USER MOD reduce.3.24.130724 H: found=0, std=0, add=1866, rem=0, adj=73 USER MOD reduce.3.24.130724 removed 1864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 38 SER OG : rot 65:sc= 0.817 USER MOD Set 1.2: B 112 LYS NZ :NH3+ -141:sc= 1.03 (180deg=0.493) USER MOD Set 1.3: B 114 THR OG1 : rot 180:sc= 0.638 USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0 X(o=-0.033,f=-0.033) USER MOD Set 2.2: B 60 CYS SG : rot -100:sc= -0.0328 USER MOD Set 2.3: B 97 MET CE :methyl -176:sc=-0.000584 (180deg=-0.0293) USER MOD Set 3.1: A 82 TYR OH : rot 30:sc= 0.214 USER MOD Set 3.2: A 112 LYS NZ :NH3+ 180:sc= -1.41! (180deg=-1.75!) USER MOD Set 4.1: A 74 SER OG : rot -133:sc= 0.947 USER MOD Set 4.2: A 78 LYS NZ :NH3+ 179:sc= 1.74 (180deg=0.573) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 44:sc= -0.843 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 10 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.27) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.44) USER MOD Single : A 27 SER OG : rot 56:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 1.26 (180deg=1.15) USER MOD Single : A 38 SER OG : rot 63:sc= 0.189 USER MOD Single : A 40 TYR OH : rot 129:sc= -2.6! USER MOD Single : A 43 ASN : amide:sc= -1.29! C(o=-1.3!,f=-4.9!) USER MOD Single : A 46 TYR OH : rot 74:sc= 0.87 USER MOD Single : A 48 SER OG : rot -50:sc= -0.855 USER MOD Single : A 49 THR OG1 : rot -81:sc= 1.91 USER MOD Single : A 51 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.51) USER MOD Single : A 56 HIS : no HD1:sc=-0.000923 X(o=-0.00092,f=-0.045) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -178:sc= 0.426 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.41 X(o=-1.4,f=-0.94) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -170:sc= -0.192 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= 0.523 (180deg=-0.172!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.338 K(o=-0.34,f=-0.96) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 97 MET CE :methyl 173:sc= 0 (180deg=-0.0313) USER MOD Single : A 100 THR OG1 : rot -65:sc= 1.3 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.2) USER MOD Single : A 114 THR OG1 : rot -170:sc= -0.106 USER MOD Single : A 115 ASN : amide:sc= -2.92! C(o=-2.9!,f=-5.1!) USER MOD Single : A 116 MET CE :methyl -103:sc= -0.281 (180deg=-1.41) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -91:sc= 0.282 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -176:sc= -0.251 (180deg=-0.258) USER MOD Single : B 5 CYS SG : rot 180:sc= -0.0293 USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 7 GLN : amide:sc= 0.18 K(o=0.18,f=-4!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot -18:sc= 0.965 USER MOD Single : B 10 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.38) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl 177:sc= -1.19 (180deg=-1.25) USER MOD Single : B 14 THR OG1 : rot 180:sc=-0.00831 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 140:sc= 0.0265 USER MOD Single : B 24 GLN : amide:sc= 0.00906 X(o=0.0091,f=-0.18) USER MOD Single : B 27 SER OG : rot 133:sc= 0.0249 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00216) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : B 40 TYR OH : rot 180:sc= -0.401 USER MOD Single : B 43 ASN : amide:sc= 0.00842 K(o=0.0084,f=-1.9) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 70:sc= 1.15 USER MOD Single : B 49 THR OG1 : rot 180:sc= -0.286 USER MOD Single : B 51 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.8) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 103:sc= 0.0229 USER MOD Single : B 62 SER OG : rot 95:sc= 1.23 USER MOD Single : B 64 ASN : amide:sc= -3.3! C(o=-3.3!,f=-4!) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.17) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 LYS NZ :NH3+ 177:sc= 0.906 (180deg=0.636) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 19:sc= 1.15 USER MOD Single : B 89 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.22) USER MOD Single : B 90 SER OG : rot -40:sc= -1.92! USER MOD Single : B 100 THR OG1 : rot -55:sc= 0.261 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 145:sc= 1.27 (180deg=0.691) USER MOD Single : B 115 ASN :FLIP amide:sc= -0.523 F(o=-4.4!,f=-0.52) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 SER OG : rot 180:sc= 0.0711 USER MOD Single : B 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -41.386 9.343 -0.088 1.00 33.12 N ATOM 2 CA ALA A 1 -40.229 8.795 0.611 1.00 64.30 C ATOM 3 C ALA A 1 -39.582 7.726 -0.234 1.00 13.02 C ATOM 4 O ALA A 1 -40.056 6.586 -0.288 1.00 62.13 O ATOM 5 CB ALA A 1 -40.619 8.244 1.967 1.00 41.12 C ATOM 0 H1 ALA A 1 -41.829 10.079 0.498 1.00 33.12 H new ATOM 0 H2 ALA A 1 -41.081 9.757 -0.992 1.00 33.12 H new ATOM 0 H3 ALA A 1 -42.074 8.584 -0.269 1.00 33.12 H new ATOM 0 HA ALA A 1 -39.512 9.599 0.777 1.00 64.30 H new ATOM 0 HB1 ALA A 1 -39.736 7.842 2.464 1.00 41.12 H new ATOM 0 HB2 ALA A 1 -41.046 9.042 2.575 1.00 41.12 H new ATOM 0 HB3 ALA A 1 -41.356 7.451 1.839 1.00 41.12 H new ATOM 13 N ILE A 2 -38.528 8.086 -0.915 1.00 71.01 N ATOM 14 CA ILE A 2 -37.860 7.168 -1.786 1.00 21.42 C ATOM 15 C ILE A 2 -36.505 6.765 -1.253 1.00 24.35 C ATOM 16 O ILE A 2 -35.736 7.591 -0.745 1.00 3.32 O ATOM 17 CB ILE A 2 -37.723 7.697 -3.233 1.00 34.11 C ATOM 18 CG1 ILE A 2 -36.974 9.042 -3.269 1.00 44.33 C ATOM 19 CG2 ILE A 2 -39.090 7.812 -3.886 1.00 73.12 C ATOM 20 CD1 ILE A 2 -36.760 9.596 -4.661 1.00 74.21 C ATOM 0 H ILE A 2 -38.113 9.017 -0.880 1.00 71.01 H new ATOM 0 HA ILE A 2 -38.499 6.285 -1.818 1.00 21.42 H new ATOM 0 HB ILE A 2 -37.131 6.981 -3.802 1.00 34.11 H new ATOM 0 HG12 ILE A 2 -37.532 9.771 -2.682 1.00 44.33 H new ATOM 0 HG13 ILE A 2 -36.005 8.918 -2.786 1.00 44.33 H new ATOM 0 HG21 ILE A 2 -38.977 8.186 -4.904 1.00 73.12 H new ATOM 0 HG22 ILE A 2 -39.565 6.831 -3.910 1.00 73.12 H new ATOM 0 HG23 ILE A 2 -39.710 8.502 -3.313 1.00 73.12 H new ATOM 0 HD11 ILE A 2 -36.226 10.544 -4.597 1.00 74.21 H new ATOM 0 HD12 ILE A 2 -36.174 8.889 -5.248 1.00 74.21 H new ATOM 0 HD13 ILE A 2 -37.725 9.755 -5.142 1.00 74.21 H new ATOM 32 N ALA A 3 -36.247 5.504 -1.348 1.00 64.31 N ATOM 33 CA ALA A 3 -35.004 4.909 -0.973 1.00 64.01 C ATOM 34 C ALA A 3 -34.830 3.712 -1.865 1.00 4.20 C ATOM 35 O ALA A 3 -35.836 3.186 -2.356 1.00 44.43 O ATOM 36 CB ALA A 3 -35.050 4.466 0.483 1.00 3.43 C ATOM 0 H ALA A 3 -36.924 4.829 -1.704 1.00 64.31 H new ATOM 0 HA ALA A 3 -34.179 5.614 -1.078 1.00 64.01 H new ATOM 0 HB1 ALA A 3 -34.096 4.014 0.756 1.00 3.43 H new ATOM 0 HB2 ALA A 3 -35.238 5.330 1.120 1.00 3.43 H new ATOM 0 HB3 ALA A 3 -35.849 3.736 0.616 1.00 3.43 H new ATOM 42 N PRO A 4 -33.595 3.274 -2.135 1.00 72.31 N ATOM 43 CA PRO A 4 -33.367 2.087 -2.944 1.00 22.31 C ATOM 44 C PRO A 4 -34.091 0.891 -2.330 1.00 74.44 C ATOM 45 O PRO A 4 -33.967 0.621 -1.123 1.00 34.50 O ATOM 46 CB PRO A 4 -31.855 1.884 -2.899 1.00 14.35 C ATOM 47 CG PRO A 4 -31.289 3.206 -2.505 1.00 21.22 C ATOM 48 CD PRO A 4 -32.335 3.893 -1.681 1.00 60.42 C ATOM 0 HA PRO A 4 -33.738 2.190 -3.964 1.00 22.31 H new ATOM 0 HB2 PRO A 4 -31.584 1.111 -2.180 1.00 14.35 H new ATOM 0 HB3 PRO A 4 -31.472 1.566 -3.869 1.00 14.35 H new ATOM 0 HG2 PRO A 4 -30.369 3.079 -1.935 1.00 21.22 H new ATOM 0 HG3 PRO A 4 -31.039 3.798 -3.385 1.00 21.22 H new ATOM 0 HD2 PRO A 4 -32.173 3.736 -0.615 1.00 60.42 H new ATOM 0 HD3 PRO A 4 -32.334 4.970 -1.849 1.00 60.42 H new ATOM 56 N CYS A 5 -34.868 0.223 -3.133 1.00 43.54 N ATOM 57 CA CYS A 5 -35.643 -0.899 -2.685 1.00 70.31 C ATOM 58 C CYS A 5 -34.734 -2.084 -2.426 1.00 74.50 C ATOM 59 O CYS A 5 -34.086 -2.595 -3.350 1.00 12.02 O ATOM 60 CB CYS A 5 -36.702 -1.233 -3.727 1.00 43.40 C ATOM 61 SG CYS A 5 -37.812 0.145 -4.103 1.00 20.53 S ATOM 0 H CYS A 5 -34.983 0.442 -4.123 1.00 43.54 H new ATOM 0 HA CYS A 5 -36.146 -0.651 -1.750 1.00 70.31 H new ATOM 0 HB2 CYS A 5 -36.208 -1.551 -4.645 1.00 43.40 H new ATOM 0 HB3 CYS A 5 -37.293 -2.078 -3.374 1.00 43.40 H new ATOM 0 HG CYS A 5 -38.678 -0.227 -4.999 1.00 20.53 H new ATOM 67 N MET A 6 -34.684 -2.503 -1.165 1.00 51.00 N ATOM 68 CA MET A 6 -33.826 -3.590 -0.709 1.00 33.15 C ATOM 69 C MET A 6 -32.359 -3.237 -0.859 1.00 53.43 C ATOM 70 O MET A 6 -31.702 -3.605 -1.842 1.00 54.12 O ATOM 71 CB MET A 6 -34.148 -4.948 -1.369 1.00 72.01 C ATOM 72 CG MET A 6 -35.527 -5.485 -1.048 1.00 1.24 C ATOM 73 SD MET A 6 -35.872 -7.050 -1.876 1.00 55.51 S ATOM 74 CE MET A 6 -37.506 -7.408 -1.235 1.00 63.40 C ATOM 0 H MET A 6 -35.247 -2.090 -0.421 1.00 51.00 H new ATOM 0 HA MET A 6 -34.041 -3.715 0.352 1.00 33.15 H new ATOM 0 HB2 MET A 6 -34.054 -4.845 -2.450 1.00 72.01 H new ATOM 0 HB3 MET A 6 -33.404 -5.678 -1.052 1.00 72.01 H new ATOM 0 HG2 MET A 6 -35.618 -5.621 0.030 1.00 1.24 H new ATOM 0 HG3 MET A 6 -36.276 -4.750 -1.341 1.00 1.24 H new ATOM 0 HE1 MET A 6 -37.863 -8.349 -1.653 1.00 63.40 H new ATOM 0 HE2 MET A 6 -37.461 -7.487 -0.149 1.00 63.40 H new ATOM 0 HE3 MET A 6 -38.190 -6.606 -1.512 1.00 63.40 H new ATOM 84 N GLN A 7 -31.873 -2.458 0.070 1.00 24.14 N ATOM 85 CA GLN A 7 -30.496 -2.059 0.097 1.00 34.25 C ATOM 86 C GLN A 7 -29.672 -3.137 0.702 1.00 75.13 C ATOM 87 O GLN A 7 -29.944 -3.584 1.823 1.00 63.23 O ATOM 88 CB GLN A 7 -30.308 -0.780 0.901 1.00 23.41 C ATOM 89 CG GLN A 7 -30.986 0.426 0.316 1.00 75.02 C ATOM 90 CD GLN A 7 -30.795 1.658 1.158 1.00 70.34 C ATOM 91 OE1 GLN A 7 -29.828 2.405 0.980 1.00 71.12 O ATOM 92 NE2 GLN A 7 -31.690 1.885 2.073 1.00 62.55 N ATOM 0 H GLN A 7 -32.430 -2.080 0.836 1.00 24.14 H new ATOM 0 HA GLN A 7 -30.180 -1.876 -0.930 1.00 34.25 H new ATOM 0 HB2 GLN A 7 -30.687 -0.941 1.910 1.00 23.41 H new ATOM 0 HB3 GLN A 7 -29.241 -0.575 0.990 1.00 23.41 H new ATOM 0 HG2 GLN A 7 -30.595 0.609 -0.685 1.00 75.02 H new ATOM 0 HG3 GLN A 7 -32.052 0.224 0.210 1.00 75.02 H new ATOM 0 HE21 GLN A 7 -32.475 1.244 2.189 1.00 62.55 H new ATOM 0 HE22 GLN A 7 -31.607 2.704 2.675 1.00 62.55 H new ATOM 101 N THR A 8 -28.698 -3.572 -0.019 1.00 4.05 N ATOM 102 CA THR A 8 -27.797 -4.539 0.472 1.00 12.11 C ATOM 103 C THR A 8 -26.754 -3.852 1.318 1.00 13.23 C ATOM 104 O THR A 8 -25.812 -3.269 0.798 1.00 14.33 O ATOM 105 CB THR A 8 -27.143 -5.297 -0.685 1.00 42.53 C ATOM 106 OG1 THR A 8 -26.617 -4.341 -1.628 1.00 14.12 O ATOM 107 CG2 THR A 8 -28.155 -6.185 -1.377 1.00 23.24 C ATOM 0 H THR A 8 -28.508 -3.261 -0.972 1.00 4.05 H new ATOM 0 HA THR A 8 -28.336 -5.264 1.082 1.00 12.11 H new ATOM 0 HB THR A 8 -26.341 -5.924 -0.296 1.00 42.53 H new ATOM 0 HG1 THR A 8 -26.152 -3.626 -1.145 1.00 14.12 H new ATOM 0 HG21 THR A 8 -27.672 -6.716 -2.197 1.00 23.24 H new ATOM 0 HG22 THR A 8 -28.555 -6.905 -0.663 1.00 23.24 H new ATOM 0 HG23 THR A 8 -28.968 -5.573 -1.769 1.00 23.24 H new ATOM 115 N THR A 9 -26.971 -3.842 2.592 1.00 10.33 N ATOM 116 CA THR A 9 -26.062 -3.230 3.488 1.00 22.23 C ATOM 117 C THR A 9 -25.291 -4.314 4.222 1.00 32.54 C ATOM 118 O THR A 9 -24.095 -4.513 3.981 1.00 52.03 O ATOM 119 CB THR A 9 -26.804 -2.280 4.477 1.00 72.25 C ATOM 120 OG1 THR A 9 -27.866 -2.982 5.154 1.00 21.22 O ATOM 121 CG2 THR A 9 -27.399 -1.093 3.742 1.00 4.35 C ATOM 0 H THR A 9 -27.788 -4.261 3.037 1.00 10.33 H new ATOM 0 HA THR A 9 -25.359 -2.612 2.930 1.00 22.23 H new ATOM 0 HB THR A 9 -26.072 -1.928 5.204 1.00 72.25 H new ATOM 0 HG1 THR A 9 -28.320 -2.372 5.772 1.00 21.22 H new ATOM 0 HG21 THR A 9 -27.911 -0.445 4.453 1.00 4.35 H new ATOM 0 HG22 THR A 9 -26.603 -0.534 3.249 1.00 4.35 H new ATOM 0 HG23 THR A 9 -28.110 -1.447 2.995 1.00 4.35 H new ATOM 129 N HIS A 10 -26.002 -5.027 5.109 1.00 42.12 N ATOM 130 CA HIS A 10 -25.470 -6.160 5.882 1.00 5.34 C ATOM 131 C HIS A 10 -24.242 -5.712 6.702 1.00 54.43 C ATOM 132 O HIS A 10 -23.429 -6.519 7.141 1.00 44.23 O ATOM 133 CB HIS A 10 -25.128 -7.331 4.908 1.00 2.32 C ATOM 134 CG HIS A 10 -24.715 -8.617 5.570 1.00 12.33 C ATOM 135 ND1 HIS A 10 -23.458 -9.157 5.451 1.00 51.54 N ATOM 136 CD2 HIS A 10 -25.415 -9.479 6.334 1.00 63.43 C ATOM 137 CE1 HIS A 10 -23.403 -10.289 6.112 1.00 11.33 C ATOM 138 NE2 HIS A 10 -24.576 -10.507 6.657 1.00 11.23 N ATOM 0 H HIS A 10 -26.981 -4.828 5.313 1.00 42.12 H new ATOM 0 HA HIS A 10 -26.219 -6.516 6.590 1.00 5.34 H new ATOM 0 HB2 HIS A 10 -25.998 -7.527 4.282 1.00 2.32 H new ATOM 0 HB3 HIS A 10 -24.325 -7.008 4.246 1.00 2.32 H new ATOM 0 HD2 HIS A 10 -26.447 -9.376 6.635 1.00 63.43 H new ATOM 0 HE1 HIS A 10 -22.539 -10.932 6.193 1.00 11.33 H new ATOM 0 HE2 HIS A 10 -24.822 -11.314 7.230 1.00 11.23 H new ATOM 147 N SER A 11 -24.166 -4.428 6.957 1.00 74.14 N ATOM 148 CA SER A 11 -23.040 -3.862 7.614 1.00 43.44 C ATOM 149 C SER A 11 -23.199 -3.946 9.123 1.00 12.24 C ATOM 150 O SER A 11 -23.650 -3.005 9.786 1.00 73.32 O ATOM 151 CB SER A 11 -22.793 -2.416 7.136 1.00 74.44 C ATOM 152 OG SER A 11 -21.605 -1.854 7.692 1.00 63.12 O ATOM 0 H SER A 11 -24.891 -3.755 6.709 1.00 74.14 H new ATOM 0 HA SER A 11 -22.156 -4.442 7.349 1.00 43.44 H new ATOM 0 HB2 SER A 11 -22.723 -2.403 6.048 1.00 74.44 H new ATOM 0 HB3 SER A 11 -23.647 -1.796 7.408 1.00 74.44 H new ATOM 0 HG SER A 11 -21.489 -0.939 7.360 1.00 63.12 H new ATOM 158 N LYS A 12 -22.926 -5.109 9.635 1.00 3.13 N ATOM 159 CA LYS A 12 -22.907 -5.353 11.042 1.00 30.40 C ATOM 160 C LYS A 12 -21.584 -5.966 11.368 1.00 34.23 C ATOM 161 O LYS A 12 -21.419 -7.189 11.373 1.00 64.33 O ATOM 162 CB LYS A 12 -24.067 -6.247 11.500 1.00 55.31 C ATOM 163 CG LYS A 12 -25.454 -5.654 11.254 1.00 42.31 C ATOM 164 CD LYS A 12 -26.566 -6.568 11.764 1.00 24.11 C ATOM 165 CE LYS A 12 -26.450 -6.813 13.261 1.00 31.32 C ATOM 166 NZ LYS A 12 -27.547 -7.656 13.784 1.00 34.42 N ATOM 0 H LYS A 12 -22.706 -5.931 9.072 1.00 3.13 H new ATOM 0 HA LYS A 12 -23.040 -4.413 11.578 1.00 30.40 H new ATOM 0 HB2 LYS A 12 -23.998 -7.205 10.984 1.00 55.31 H new ATOM 0 HB3 LYS A 12 -23.955 -6.450 12.565 1.00 55.31 H new ATOM 0 HG2 LYS A 12 -25.527 -4.685 11.747 1.00 42.31 H new ATOM 0 HG3 LYS A 12 -25.589 -5.479 10.187 1.00 42.31 H new ATOM 0 HD2 LYS A 12 -27.535 -6.121 11.542 1.00 24.11 H new ATOM 0 HD3 LYS A 12 -26.526 -7.520 11.235 1.00 24.11 H new ATOM 0 HE2 LYS A 12 -25.495 -7.292 13.474 1.00 31.32 H new ATOM 0 HE3 LYS A 12 -26.451 -5.856 13.784 1.00 31.32 H new ATOM 0 HZ1 LYS A 12 -27.422 -7.793 14.807 1.00 34.42 H new ATOM 0 HZ2 LYS A 12 -28.459 -7.189 13.606 1.00 34.42 H new ATOM 0 HZ3 LYS A 12 -27.533 -8.580 13.307 1.00 34.42 H new ATOM 180 N MET A 13 -20.626 -5.116 11.538 1.00 60.24 N ATOM 181 CA MET A 13 -19.273 -5.504 11.753 1.00 61.40 C ATOM 182 C MET A 13 -18.558 -4.341 12.389 1.00 0.45 C ATOM 183 O MET A 13 -19.016 -3.200 12.291 1.00 41.54 O ATOM 184 CB MET A 13 -18.634 -5.850 10.386 1.00 34.13 C ATOM 185 CG MET A 13 -17.175 -6.275 10.428 1.00 53.15 C ATOM 186 SD MET A 13 -16.889 -7.734 11.439 1.00 42.40 S ATOM 187 CE MET A 13 -15.128 -7.970 11.179 1.00 63.44 C ATOM 0 H MET A 13 -20.767 -4.106 11.531 1.00 60.24 H new ATOM 0 HA MET A 13 -19.206 -6.377 12.403 1.00 61.40 H new ATOM 0 HB2 MET A 13 -19.213 -6.651 9.927 1.00 34.13 H new ATOM 0 HB3 MET A 13 -18.721 -4.980 9.735 1.00 34.13 H new ATOM 0 HG2 MET A 13 -16.832 -6.472 9.412 1.00 53.15 H new ATOM 0 HG3 MET A 13 -16.575 -5.451 10.813 1.00 53.15 H new ATOM 0 HE1 MET A 13 -14.791 -8.841 11.741 1.00 63.44 H new ATOM 0 HE2 MET A 13 -14.935 -8.126 10.118 1.00 63.44 H new ATOM 0 HE3 MET A 13 -14.588 -7.087 11.520 1.00 63.44 H new ATOM 197 N THR A 14 -17.500 -4.599 13.073 1.00 54.52 N ATOM 198 CA THR A 14 -16.728 -3.546 13.625 1.00 1.30 C ATOM 199 C THR A 14 -15.262 -3.769 13.336 1.00 72.14 C ATOM 200 O THR A 14 -14.557 -4.464 14.066 1.00 5.41 O ATOM 201 CB THR A 14 -16.988 -3.359 15.130 1.00 63.15 C ATOM 202 OG1 THR A 14 -18.395 -3.097 15.328 1.00 10.52 O ATOM 203 CG2 THR A 14 -16.190 -2.186 15.666 1.00 4.12 C ATOM 0 H THR A 14 -17.148 -5.537 13.264 1.00 54.52 H new ATOM 0 HA THR A 14 -17.038 -2.618 13.145 1.00 1.30 H new ATOM 0 HB THR A 14 -16.686 -4.263 15.659 1.00 63.15 H new ATOM 0 HG1 THR A 14 -18.574 -2.977 16.284 1.00 10.52 H new ATOM 0 HG21 THR A 14 -16.386 -2.069 16.732 1.00 4.12 H new ATOM 0 HG22 THR A 14 -15.127 -2.368 15.511 1.00 4.12 H new ATOM 0 HG23 THR A 14 -16.483 -1.277 15.141 1.00 4.12 H new ATOM 211 N ALA A 15 -14.839 -3.256 12.233 1.00 51.21 N ATOM 212 CA ALA A 15 -13.484 -3.344 11.838 1.00 41.45 C ATOM 213 C ALA A 15 -12.903 -1.958 11.813 1.00 10.44 C ATOM 214 O ALA A 15 -13.317 -1.111 11.012 1.00 74.10 O ATOM 215 CB ALA A 15 -13.382 -4.000 10.488 1.00 21.31 C ATOM 0 H ALA A 15 -15.436 -2.757 11.574 1.00 51.21 H new ATOM 0 HA ALA A 15 -12.923 -3.955 12.545 1.00 41.45 H new ATOM 0 HB1 ALA A 15 -12.335 -4.063 10.192 1.00 21.31 H new ATOM 0 HB2 ALA A 15 -13.806 -5.003 10.538 1.00 21.31 H new ATOM 0 HB3 ALA A 15 -13.931 -3.410 9.754 1.00 21.31 H new ATOM 221 N GLY A 16 -11.952 -1.727 12.684 1.00 74.33 N ATOM 222 CA GLY A 16 -11.379 -0.428 12.827 1.00 45.23 C ATOM 223 C GLY A 16 -10.327 -0.097 11.788 1.00 71.53 C ATOM 224 O GLY A 16 -10.575 -0.156 10.560 1.00 45.15 O ATOM 0 H GLY A 16 -11.561 -2.434 13.306 1.00 74.33 H new ATOM 0 HA2 GLY A 16 -12.174 0.316 12.773 1.00 45.23 H new ATOM 0 HA3 GLY A 16 -10.933 -0.347 13.818 1.00 45.23 H new ATOM 228 N ALA A 17 -9.148 0.197 12.259 1.00 53.53 N ATOM 229 CA ALA A 17 -8.115 0.719 11.414 1.00 44.24 C ATOM 230 C ALA A 17 -6.745 0.146 11.753 1.00 43.54 C ATOM 231 O ALA A 17 -6.616 -0.772 12.577 1.00 72.51 O ATOM 232 CB ALA A 17 -8.091 2.241 11.547 1.00 51.12 C ATOM 0 H ALA A 17 -8.878 0.082 13.236 1.00 53.53 H new ATOM 0 HA ALA A 17 -8.337 0.427 10.387 1.00 44.24 H new ATOM 0 HB1 ALA A 17 -7.308 2.650 10.908 1.00 51.12 H new ATOM 0 HB2 ALA A 17 -9.056 2.648 11.244 1.00 51.12 H new ATOM 0 HB3 ALA A 17 -7.892 2.513 12.584 1.00 51.12 H new ATOM 238 N TYR A 18 -5.754 0.690 11.093 1.00 43.24 N ATOM 239 CA TYR A 18 -4.368 0.350 11.244 1.00 34.51 C ATOM 240 C TYR A 18 -3.628 1.703 11.336 1.00 0.44 C ATOM 241 O TYR A 18 -4.295 2.726 11.556 1.00 73.42 O ATOM 242 CB TYR A 18 -3.955 -0.461 9.993 1.00 51.00 C ATOM 243 CG TYR A 18 -2.591 -1.101 10.044 1.00 61.32 C ATOM 244 CD1 TYR A 18 -2.287 -2.031 11.022 1.00 51.42 C ATOM 245 CD2 TYR A 18 -1.609 -0.784 9.110 1.00 51.22 C ATOM 246 CE1 TYR A 18 -1.053 -2.628 11.077 1.00 73.34 C ATOM 247 CE2 TYR A 18 -0.366 -1.385 9.155 1.00 0.11 C ATOM 248 CZ TYR A 18 -0.095 -2.307 10.141 1.00 24.24 C ATOM 249 OH TYR A 18 1.131 -2.920 10.191 1.00 62.42 O ATOM 0 H TYR A 18 -5.905 1.422 10.399 1.00 43.24 H new ATOM 0 HA TYR A 18 -4.142 -0.255 12.122 1.00 34.51 H new ATOM 0 HB2 TYR A 18 -4.696 -1.243 9.830 1.00 51.00 H new ATOM 0 HB3 TYR A 18 -3.993 0.200 9.127 1.00 51.00 H new ATOM 0 HD1 TYR A 18 -3.035 -2.292 11.756 1.00 51.42 H new ATOM 0 HD2 TYR A 18 -1.822 -0.058 8.339 1.00 51.22 H new ATOM 0 HE1 TYR A 18 -0.833 -3.348 11.852 1.00 73.34 H new ATOM 0 HE2 TYR A 18 0.387 -1.134 8.423 1.00 0.11 H new ATOM 0 HH TYR A 18 1.694 -2.586 9.462 1.00 62.42 H new ATOM 259 N THR A 19 -2.312 1.748 11.207 1.00 33.33 N ATOM 260 CA THR A 19 -1.640 3.028 11.245 1.00 62.23 C ATOM 261 C THR A 19 -0.540 3.108 10.166 1.00 33.41 C ATOM 262 O THR A 19 0.176 2.124 9.906 1.00 13.32 O ATOM 263 CB THR A 19 -1.058 3.350 12.664 1.00 62.42 C ATOM 264 OG1 THR A 19 -0.594 4.706 12.709 1.00 3.33 O ATOM 265 CG2 THR A 19 0.099 2.417 13.021 1.00 52.12 C ATOM 0 H THR A 19 -1.706 0.937 11.079 1.00 33.33 H new ATOM 0 HA THR A 19 -2.390 3.788 11.027 1.00 62.23 H new ATOM 0 HB THR A 19 -1.860 3.203 13.388 1.00 62.42 H new ATOM 0 HG1 THR A 19 -0.234 4.899 13.600 1.00 3.33 H new ATOM 0 HG21 THR A 19 0.478 2.669 14.011 1.00 52.12 H new ATOM 0 HG22 THR A 19 -0.252 1.385 13.019 1.00 52.12 H new ATOM 0 HG23 THR A 19 0.897 2.530 12.288 1.00 52.12 H new ATOM 273 N GLU A 20 -0.460 4.261 9.535 1.00 62.31 N ATOM 274 CA GLU A 20 0.531 4.578 8.503 1.00 62.12 C ATOM 275 C GLU A 20 1.938 4.856 9.023 1.00 75.32 C ATOM 276 O GLU A 20 2.236 4.739 10.227 1.00 24.32 O ATOM 277 CB GLU A 20 0.062 5.777 7.692 1.00 55.33 C ATOM 278 CG GLU A 20 -0.858 5.430 6.564 1.00 34.54 C ATOM 279 CD GLU A 20 -0.123 4.644 5.525 1.00 74.40 C ATOM 280 OE1 GLU A 20 0.572 5.274 4.702 1.00 4.14 O ATOM 281 OE2 GLU A 20 -0.188 3.417 5.552 1.00 5.04 O ATOM 0 H GLU A 20 -1.098 5.034 9.725 1.00 62.31 H new ATOM 0 HA GLU A 20 0.605 3.678 7.892 1.00 62.12 H new ATOM 0 HB2 GLU A 20 -0.444 6.476 8.357 1.00 55.33 H new ATOM 0 HB3 GLU A 20 0.934 6.293 7.290 1.00 55.33 H new ATOM 0 HG2 GLU A 20 -1.703 4.852 6.938 1.00 34.54 H new ATOM 0 HG3 GLU A 20 -1.265 6.340 6.123 1.00 34.54 H new ATOM 288 N GLY A 21 2.793 5.196 8.077 1.00 55.22 N ATOM 289 CA GLY A 21 4.148 5.588 8.338 1.00 4.03 C ATOM 290 C GLY A 21 4.270 7.098 8.403 1.00 55.44 C ATOM 291 O GLY A 21 3.726 7.723 9.310 1.00 65.43 O ATOM 0 H GLY A 21 2.550 5.205 7.086 1.00 55.22 H new ATOM 0 HA2 GLY A 21 4.483 5.151 9.279 1.00 4.03 H new ATOM 0 HA3 GLY A 21 4.801 5.199 7.556 1.00 4.03 H new ATOM 295 N PRO A 22 4.994 7.707 7.443 1.00 44.13 N ATOM 296 CA PRO A 22 5.170 9.173 7.352 1.00 71.33 C ATOM 297 C PRO A 22 3.860 10.042 7.263 1.00 53.23 C ATOM 298 O PRO A 22 3.807 11.086 7.906 1.00 71.42 O ATOM 299 CB PRO A 22 6.026 9.357 6.087 1.00 63.13 C ATOM 300 CG PRO A 22 6.729 8.061 5.927 1.00 24.23 C ATOM 301 CD PRO A 22 5.757 7.014 6.384 1.00 72.21 C ATOM 0 HA PRO A 22 5.617 9.535 8.278 1.00 71.33 H new ATOM 0 HB2 PRO A 22 5.408 9.584 5.218 1.00 63.13 H new ATOM 0 HB3 PRO A 22 6.731 10.180 6.200 1.00 63.13 H new ATOM 0 HG2 PRO A 22 7.020 7.899 4.889 1.00 24.23 H new ATOM 0 HG3 PRO A 22 7.642 8.034 6.522 1.00 24.23 H new ATOM 0 HD2 PRO A 22 5.110 6.682 5.572 1.00 72.21 H new ATOM 0 HD3 PRO A 22 6.267 6.130 6.767 1.00 72.21 H new ATOM 309 N PRO A 23 2.795 9.667 6.453 1.00 2.45 N ATOM 310 CA PRO A 23 1.594 10.503 6.344 1.00 25.20 C ATOM 311 C PRO A 23 0.803 10.607 7.643 1.00 21.35 C ATOM 312 O PRO A 23 0.664 9.636 8.404 1.00 23.32 O ATOM 313 CB PRO A 23 0.748 9.833 5.256 1.00 42.24 C ATOM 314 CG PRO A 23 1.209 8.427 5.252 1.00 34.41 C ATOM 315 CD PRO A 23 2.674 8.462 5.609 1.00 41.20 C ATOM 0 HA PRO A 23 1.870 11.530 6.107 1.00 25.20 H new ATOM 0 HB2 PRO A 23 -0.316 9.902 5.480 1.00 42.24 H new ATOM 0 HB3 PRO A 23 0.901 10.305 4.285 1.00 42.24 H new ATOM 0 HG2 PRO A 23 0.647 7.831 5.972 1.00 34.41 H new ATOM 0 HG3 PRO A 23 1.058 7.971 4.274 1.00 34.41 H new ATOM 0 HD2 PRO A 23 2.978 7.564 6.146 1.00 41.20 H new ATOM 0 HD3 PRO A 23 3.302 8.530 4.721 1.00 41.20 H new ATOM 323 N GLN A 24 0.272 11.770 7.851 1.00 51.31 N ATOM 324 CA GLN A 24 -0.518 12.103 9.004 1.00 72.22 C ATOM 325 C GLN A 24 -1.996 12.072 8.621 1.00 42.42 C ATOM 326 O GLN A 24 -2.316 11.888 7.448 1.00 13.30 O ATOM 327 CB GLN A 24 -0.119 13.494 9.538 1.00 24.31 C ATOM 328 CG GLN A 24 1.248 13.541 10.192 1.00 12.11 C ATOM 329 CD GLN A 24 1.339 12.596 11.381 1.00 12.04 C ATOM 330 OE1 GLN A 24 1.721 11.447 11.245 1.00 30.13 O ATOM 331 NE2 GLN A 24 0.954 13.066 12.543 1.00 62.02 N ATOM 0 H GLN A 24 0.378 12.547 7.199 1.00 51.31 H new ATOM 0 HA GLN A 24 -0.340 11.375 9.796 1.00 72.22 H new ATOM 0 HB2 GLN A 24 -0.139 14.207 8.714 1.00 24.31 H new ATOM 0 HB3 GLN A 24 -0.866 13.821 10.261 1.00 24.31 H new ATOM 0 HG2 GLN A 24 2.011 13.277 9.459 1.00 12.11 H new ATOM 0 HG3 GLN A 24 1.459 14.559 10.520 1.00 12.11 H new ATOM 0 HE21 GLN A 24 0.640 14.033 12.623 1.00 62.02 H new ATOM 0 HE22 GLN A 24 0.969 12.465 13.367 1.00 62.02 H new ATOM 340 N PRO A 25 -2.918 12.170 9.594 1.00 65.14 N ATOM 341 CA PRO A 25 -4.361 12.260 9.313 1.00 1.33 C ATOM 342 C PRO A 25 -4.754 13.462 8.398 1.00 51.53 C ATOM 343 O PRO A 25 -3.927 14.040 7.662 1.00 51.14 O ATOM 344 CB PRO A 25 -4.967 12.443 10.708 1.00 51.10 C ATOM 345 CG PRO A 25 -3.986 11.826 11.629 1.00 11.42 C ATOM 346 CD PRO A 25 -2.648 12.130 11.048 1.00 12.13 C ATOM 0 HA PRO A 25 -4.713 11.384 8.768 1.00 1.33 H new ATOM 0 HB2 PRO A 25 -5.118 13.498 10.939 1.00 51.10 H new ATOM 0 HB3 PRO A 25 -5.940 11.958 10.784 1.00 51.10 H new ATOM 0 HG2 PRO A 25 -4.080 12.237 12.634 1.00 11.42 H new ATOM 0 HG3 PRO A 25 -4.144 10.750 11.708 1.00 11.42 H new ATOM 0 HD2 PRO A 25 -2.256 13.080 11.412 1.00 12.13 H new ATOM 0 HD3 PRO A 25 -1.915 11.365 11.301 1.00 12.13 H new ATOM 354 N LEU A 26 -5.992 13.872 8.511 1.00 21.55 N ATOM 355 CA LEU A 26 -6.545 14.881 7.630 1.00 14.34 C ATOM 356 C LEU A 26 -7.279 15.816 8.550 1.00 0.23 C ATOM 357 O LEU A 26 -7.100 15.728 9.778 1.00 33.51 O ATOM 358 CB LEU A 26 -7.595 14.316 6.616 1.00 71.43 C ATOM 359 CG LEU A 26 -7.416 12.918 5.985 1.00 74.43 C ATOM 360 CD1 LEU A 26 -6.029 12.633 5.429 1.00 23.20 C ATOM 361 CD2 LEU A 26 -7.900 11.854 6.911 1.00 11.31 C ATOM 0 H LEU A 26 -6.646 13.521 9.211 1.00 21.55 H new ATOM 0 HA LEU A 26 -5.745 15.329 7.041 1.00 14.34 H new ATOM 0 HB2 LEU A 26 -8.561 14.317 7.122 1.00 71.43 H new ATOM 0 HB3 LEU A 26 -7.664 15.031 5.796 1.00 71.43 H new ATOM 0 HG LEU A 26 -8.047 12.912 5.096 1.00 74.43 H new ATOM 0 HD11 LEU A 26 -6.005 11.628 5.008 1.00 23.20 H new ATOM 0 HD12 LEU A 26 -5.793 13.358 4.650 1.00 23.20 H new ATOM 0 HD13 LEU A 26 -5.293 12.709 6.230 1.00 23.20 H new ATOM 0 HD21 LEU A 26 -7.764 10.878 6.446 1.00 11.31 H new ATOM 0 HD22 LEU A 26 -7.333 11.895 7.841 1.00 11.31 H new ATOM 0 HD23 LEU A 26 -8.957 12.011 7.124 1.00 11.31 H new ATOM 373 N SER A 27 -8.087 16.690 8.017 1.00 31.05 N ATOM 374 CA SER A 27 -8.908 17.509 8.851 1.00 5.30 C ATOM 375 C SER A 27 -10.043 16.629 9.419 1.00 11.14 C ATOM 376 O SER A 27 -10.402 15.601 8.822 1.00 24.44 O ATOM 377 CB SER A 27 -9.464 18.695 8.069 1.00 73.42 C ATOM 378 OG SER A 27 -10.122 19.620 8.926 1.00 43.40 O ATOM 0 H SER A 27 -8.191 16.850 7.015 1.00 31.05 H new ATOM 0 HA SER A 27 -8.318 17.920 9.670 1.00 5.30 H new ATOM 0 HB2 SER A 27 -8.653 19.198 7.543 1.00 73.42 H new ATOM 0 HB3 SER A 27 -10.162 18.338 7.312 1.00 73.42 H new ATOM 0 HG SER A 27 -9.505 19.909 9.631 1.00 43.40 H new ATOM 384 N ALA A 28 -10.572 17.033 10.551 1.00 23.40 N ATOM 385 CA ALA A 28 -11.581 16.272 11.296 1.00 11.40 C ATOM 386 C ALA A 28 -12.776 15.815 10.433 1.00 43.51 C ATOM 387 O ALA A 28 -13.154 14.644 10.468 1.00 74.44 O ATOM 388 CB ALA A 28 -12.064 17.088 12.480 1.00 34.42 C ATOM 0 H ALA A 28 -10.317 17.914 10.998 1.00 23.40 H new ATOM 0 HA ALA A 28 -11.095 15.359 11.640 1.00 11.40 H new ATOM 0 HB1 ALA A 28 -12.813 16.520 13.032 1.00 34.42 H new ATOM 0 HB2 ALA A 28 -11.222 17.311 13.136 1.00 34.42 H new ATOM 0 HB3 ALA A 28 -12.504 18.020 12.125 1.00 34.42 H new ATOM 394 N GLU A 29 -13.336 16.713 9.649 1.00 23.11 N ATOM 395 CA GLU A 29 -14.471 16.392 8.774 1.00 24.23 C ATOM 396 C GLU A 29 -14.080 15.390 7.701 1.00 13.33 C ATOM 397 O GLU A 29 -14.854 14.491 7.361 1.00 61.31 O ATOM 398 CB GLU A 29 -14.960 17.656 8.138 1.00 40.13 C ATOM 399 CG GLU A 29 -15.538 18.641 9.119 1.00 63.52 C ATOM 400 CD GLU A 29 -17.020 18.623 9.157 1.00 5.25 C ATOM 401 OE1 GLU A 29 -17.649 19.206 8.264 1.00 51.42 O ATOM 402 OE2 GLU A 29 -17.587 18.041 10.068 1.00 4.12 O ATOM 0 H GLU A 29 -13.028 17.684 9.592 1.00 23.11 H new ATOM 0 HA GLU A 29 -15.260 15.940 9.374 1.00 24.23 H new ATOM 0 HB2 GLU A 29 -14.134 18.128 7.606 1.00 40.13 H new ATOM 0 HB3 GLU A 29 -15.718 17.409 7.395 1.00 40.13 H new ATOM 0 HG2 GLU A 29 -15.152 18.422 10.115 1.00 63.52 H new ATOM 0 HG3 GLU A 29 -15.199 19.644 8.860 1.00 63.52 H new ATOM 409 N GLU A 30 -12.883 15.554 7.173 1.00 32.25 N ATOM 410 CA GLU A 30 -12.337 14.651 6.178 1.00 30.44 C ATOM 411 C GLU A 30 -12.237 13.251 6.706 1.00 11.43 C ATOM 412 O GLU A 30 -12.476 12.309 5.977 1.00 25.25 O ATOM 413 CB GLU A 30 -10.969 15.125 5.685 1.00 74.31 C ATOM 414 CG GLU A 30 -11.007 16.194 4.615 1.00 22.41 C ATOM 415 CD GLU A 30 -11.860 17.399 4.963 1.00 64.31 C ATOM 416 OE1 GLU A 30 -11.606 18.046 5.969 1.00 23.23 O ATOM 417 OE2 GLU A 30 -12.820 17.682 4.250 1.00 21.22 O ATOM 0 H GLU A 30 -12.259 16.321 7.423 1.00 32.25 H new ATOM 0 HA GLU A 30 -13.027 14.652 5.334 1.00 30.44 H new ATOM 0 HB2 GLU A 30 -10.405 15.505 6.537 1.00 74.31 H new ATOM 0 HB3 GLU A 30 -10.422 14.265 5.298 1.00 74.31 H new ATOM 0 HG2 GLU A 30 -9.989 16.530 4.418 1.00 22.41 H new ATOM 0 HG3 GLU A 30 -11.382 15.753 3.691 1.00 22.41 H new ATOM 424 N LYS A 31 -11.932 13.126 7.987 1.00 44.43 N ATOM 425 CA LYS A 31 -11.771 11.827 8.605 1.00 15.13 C ATOM 426 C LYS A 31 -13.112 11.121 8.648 1.00 21.12 C ATOM 427 O LYS A 31 -13.248 9.982 8.230 1.00 71.33 O ATOM 428 CB LYS A 31 -11.277 11.972 10.041 1.00 50.22 C ATOM 429 CG LYS A 31 -9.956 12.680 10.219 1.00 74.02 C ATOM 430 CD LYS A 31 -9.603 12.728 11.687 1.00 1.41 C ATOM 431 CE LYS A 31 -8.306 13.453 11.945 1.00 25.53 C ATOM 432 NZ LYS A 31 -7.967 13.447 13.382 1.00 1.14 N ATOM 0 H LYS A 31 -11.791 13.914 8.619 1.00 44.43 H new ATOM 0 HA LYS A 31 -11.047 11.259 8.020 1.00 15.13 H new ATOM 0 HB2 LYS A 31 -12.034 12.509 10.612 1.00 50.22 H new ATOM 0 HB3 LYS A 31 -11.195 10.977 10.478 1.00 50.22 H new ATOM 0 HG2 LYS A 31 -9.175 12.161 9.663 1.00 74.02 H new ATOM 0 HG3 LYS A 31 -10.016 13.691 9.815 1.00 74.02 H new ATOM 0 HD2 LYS A 31 -10.406 13.221 12.235 1.00 1.41 H new ATOM 0 HD3 LYS A 31 -9.531 11.711 12.074 1.00 1.41 H new ATOM 0 HE2 LYS A 31 -7.504 12.981 11.378 1.00 25.53 H new ATOM 0 HE3 LYS A 31 -8.385 14.481 11.592 1.00 25.53 H new ATOM 0 HZ1 LYS A 31 -7.070 13.953 13.529 1.00 1.14 H new ATOM 0 HZ2 LYS A 31 -8.723 13.919 13.919 1.00 1.14 H new ATOM 0 HZ3 LYS A 31 -7.869 12.465 13.711 1.00 1.14 H new ATOM 446 N LYS A 32 -14.101 11.822 9.154 1.00 23.21 N ATOM 447 CA LYS A 32 -15.438 11.313 9.334 1.00 21.35 C ATOM 448 C LYS A 32 -16.131 10.896 8.059 1.00 63.44 C ATOM 449 O LYS A 32 -16.814 9.881 8.038 1.00 25.42 O ATOM 450 CB LYS A 32 -16.189 12.344 10.120 1.00 32.50 C ATOM 451 CG LYS A 32 -15.565 12.378 11.489 1.00 33.53 C ATOM 452 CD LYS A 32 -15.612 13.672 12.188 1.00 11.32 C ATOM 453 CE LYS A 32 -16.928 13.884 12.802 1.00 60.20 C ATOM 454 NZ LYS A 32 -17.002 15.158 13.540 1.00 33.24 N ATOM 0 H LYS A 32 -13.992 12.789 9.460 1.00 23.21 H new ATOM 0 HA LYS A 32 -15.397 10.371 9.881 1.00 21.35 H new ATOM 0 HB2 LYS A 32 -16.124 13.320 9.640 1.00 32.50 H new ATOM 0 HB3 LYS A 32 -17.247 12.089 10.182 1.00 32.50 H new ATOM 0 HG2 LYS A 32 -16.061 11.633 12.111 1.00 33.53 H new ATOM 0 HG3 LYS A 32 -14.522 12.074 11.399 1.00 33.53 H new ATOM 0 HD2 LYS A 32 -14.838 13.705 12.955 1.00 11.32 H new ATOM 0 HD3 LYS A 32 -15.399 14.478 11.486 1.00 11.32 H new ATOM 0 HE2 LYS A 32 -17.694 13.870 12.027 1.00 60.20 H new ATOM 0 HE3 LYS A 32 -17.147 13.060 13.481 1.00 60.20 H new ATOM 0 HZ1 LYS A 32 -17.949 15.264 13.956 1.00 33.24 H new ATOM 0 HZ2 LYS A 32 -16.289 15.163 14.297 1.00 33.24 H new ATOM 0 HZ3 LYS A 32 -16.820 15.948 12.888 1.00 33.24 H new ATOM 468 N GLU A 33 -15.938 11.645 6.996 1.00 11.35 N ATOM 469 CA GLU A 33 -16.550 11.305 5.719 1.00 21.45 C ATOM 470 C GLU A 33 -15.930 10.040 5.107 1.00 51.51 C ATOM 471 O GLU A 33 -16.640 9.164 4.638 1.00 51.22 O ATOM 472 CB GLU A 33 -16.473 12.481 4.750 1.00 43.21 C ATOM 473 CG GLU A 33 -17.253 13.701 5.213 1.00 72.42 C ATOM 474 CD GLU A 33 -18.731 13.416 5.364 1.00 32.03 C ATOM 475 OE1 GLU A 33 -19.475 13.575 4.376 1.00 72.03 O ATOM 476 OE2 GLU A 33 -19.177 13.035 6.469 1.00 32.00 O ATOM 0 H GLU A 33 -15.367 12.490 6.984 1.00 11.35 H new ATOM 0 HA GLU A 33 -17.601 11.088 5.907 1.00 21.45 H new ATOM 0 HB2 GLU A 33 -15.428 12.759 4.611 1.00 43.21 H new ATOM 0 HB3 GLU A 33 -16.851 12.166 3.778 1.00 43.21 H new ATOM 0 HG2 GLU A 33 -16.853 14.045 6.167 1.00 72.42 H new ATOM 0 HG3 GLU A 33 -17.113 14.512 4.498 1.00 72.42 H new ATOM 483 N ILE A 34 -14.617 9.948 5.162 1.00 43.01 N ATOM 484 CA ILE A 34 -13.889 8.805 4.584 1.00 50.22 C ATOM 485 C ILE A 34 -14.107 7.525 5.403 1.00 21.20 C ATOM 486 O ILE A 34 -14.182 6.424 4.853 1.00 34.35 O ATOM 487 CB ILE A 34 -12.386 9.086 4.349 1.00 70.41 C ATOM 488 CG1 ILE A 34 -11.679 9.460 5.636 1.00 64.23 C ATOM 489 CG2 ILE A 34 -12.213 10.179 3.294 1.00 21.44 C ATOM 490 CD1 ILE A 34 -10.218 9.728 5.460 1.00 5.42 C ATOM 0 H ILE A 34 -14.018 10.647 5.600 1.00 43.01 H new ATOM 0 HA ILE A 34 -14.318 8.647 3.594 1.00 50.22 H new ATOM 0 HB ILE A 34 -11.925 8.169 3.983 1.00 70.41 H new ATOM 0 HG12 ILE A 34 -12.154 10.346 6.058 1.00 64.23 H new ATOM 0 HG13 ILE A 34 -11.808 8.654 6.359 1.00 64.23 H new ATOM 0 HG21 ILE A 34 -11.151 10.368 3.137 1.00 21.44 H new ATOM 0 HG22 ILE A 34 -12.666 9.855 2.357 1.00 21.44 H new ATOM 0 HG23 ILE A 34 -12.698 11.094 3.635 1.00 21.44 H new ATOM 0 HD11 ILE A 34 -9.778 9.990 6.422 1.00 5.42 H new ATOM 0 HD12 ILE A 34 -9.729 8.836 5.068 1.00 5.42 H new ATOM 0 HD13 ILE A 34 -10.081 10.554 4.762 1.00 5.42 H new ATOM 502 N ASP A 35 -14.241 7.702 6.725 1.00 73.53 N ATOM 503 CA ASP A 35 -14.422 6.604 7.708 1.00 14.34 C ATOM 504 C ASP A 35 -15.659 5.781 7.363 1.00 60.12 C ATOM 505 O ASP A 35 -15.699 4.557 7.527 1.00 2.35 O ATOM 506 CB ASP A 35 -14.623 7.242 9.102 1.00 64.20 C ATOM 507 CG ASP A 35 -14.787 6.253 10.245 1.00 5.13 C ATOM 508 OD1 ASP A 35 -15.894 5.749 10.451 1.00 55.14 O ATOM 509 OD2 ASP A 35 -13.811 6.016 10.989 1.00 11.20 O ATOM 0 H ASP A 35 -14.228 8.626 7.157 1.00 73.53 H new ATOM 0 HA ASP A 35 -13.549 5.951 7.694 1.00 14.34 H new ATOM 0 HB2 ASP A 35 -13.769 7.884 9.317 1.00 64.20 H new ATOM 0 HB3 ASP A 35 -15.504 7.883 9.068 1.00 64.20 H new ATOM 514 N LYS A 36 -16.643 6.468 6.854 1.00 22.11 N ATOM 515 CA LYS A 36 -17.927 5.882 6.513 1.00 53.01 C ATOM 516 C LYS A 36 -17.847 5.116 5.195 1.00 13.25 C ATOM 517 O LYS A 36 -18.717 4.307 4.892 1.00 53.42 O ATOM 518 CB LYS A 36 -18.953 7.006 6.304 1.00 71.20 C ATOM 519 CG LYS A 36 -19.139 7.952 7.458 1.00 3.14 C ATOM 520 CD LYS A 36 -20.009 9.117 7.031 1.00 62.15 C ATOM 521 CE LYS A 36 -20.160 10.119 8.137 1.00 53.22 C ATOM 522 NZ LYS A 36 -20.899 11.316 7.696 1.00 52.35 N ATOM 0 H LYS A 36 -16.583 7.467 6.658 1.00 22.11 H new ATOM 0 HA LYS A 36 -18.212 5.211 7.323 1.00 53.01 H new ATOM 0 HB2 LYS A 36 -18.655 7.585 5.430 1.00 71.20 H new ATOM 0 HB3 LYS A 36 -19.917 6.553 6.073 1.00 71.20 H new ATOM 0 HG2 LYS A 36 -19.600 7.431 8.297 1.00 3.14 H new ATOM 0 HG3 LYS A 36 -18.171 8.316 7.802 1.00 3.14 H new ATOM 0 HD2 LYS A 36 -19.571 9.600 6.157 1.00 62.15 H new ATOM 0 HD3 LYS A 36 -20.991 8.750 6.733 1.00 62.15 H new ATOM 0 HE2 LYS A 36 -20.682 9.658 8.976 1.00 53.22 H new ATOM 0 HE3 LYS A 36 -19.174 10.413 8.498 1.00 53.22 H new ATOM 0 HZ1 LYS A 36 -21.430 11.712 8.498 1.00 52.35 H new ATOM 0 HZ2 LYS A 36 -20.228 12.027 7.340 1.00 52.35 H new ATOM 0 HZ3 LYS A 36 -21.561 11.055 6.938 1.00 52.35 H new ATOM 536 N ARG A 37 -16.803 5.363 4.418 1.00 54.10 N ATOM 537 CA ARG A 37 -16.802 4.943 3.027 1.00 73.01 C ATOM 538 C ARG A 37 -15.617 4.045 2.641 1.00 31.12 C ATOM 539 O ARG A 37 -15.335 3.873 1.451 1.00 43.32 O ATOM 540 CB ARG A 37 -16.829 6.212 2.175 1.00 21.32 C ATOM 541 CG ARG A 37 -17.999 7.103 2.546 1.00 10.02 C ATOM 542 CD ARG A 37 -17.976 8.452 1.882 1.00 33.40 C ATOM 543 NE ARG A 37 -19.085 9.288 2.388 1.00 45.41 N ATOM 544 CZ ARG A 37 -19.114 10.626 2.383 1.00 31.35 C ATOM 545 NH1 ARG A 37 -18.202 11.309 1.716 1.00 41.42 N ATOM 546 NH2 ARG A 37 -20.093 11.267 3.007 1.00 23.01 N ATOM 0 H ARG A 37 -15.957 5.845 4.722 1.00 54.10 H new ATOM 0 HA ARG A 37 -17.680 4.320 2.854 1.00 73.01 H new ATOM 0 HB2 ARG A 37 -15.896 6.760 2.307 1.00 21.32 H new ATOM 0 HB3 ARG A 37 -16.895 5.943 1.121 1.00 21.32 H new ATOM 0 HG2 ARG A 37 -18.927 6.595 2.282 1.00 10.02 H new ATOM 0 HG3 ARG A 37 -18.008 7.242 3.627 1.00 10.02 H new ATOM 0 HD2 ARG A 37 -17.023 8.944 2.074 1.00 33.40 H new ATOM 0 HD3 ARG A 37 -18.062 8.335 0.802 1.00 33.40 H new ATOM 0 HE ARG A 37 -19.896 8.805 2.773 1.00 45.41 H new ATOM 0 HH11 ARG A 37 -17.471 10.817 1.202 1.00 41.42 H new ATOM 0 HH12 ARG A 37 -18.228 12.329 1.715 1.00 41.42 H new ATOM 0 HH21 ARG A 37 -20.821 10.740 3.489 1.00 23.01 H new ATOM 0 HH22 ARG A 37 -20.118 12.287 3.005 1.00 23.01 H new ATOM 560 N SER A 38 -14.957 3.453 3.610 1.00 43.14 N ATOM 561 CA SER A 38 -13.872 2.542 3.300 1.00 34.12 C ATOM 562 C SER A 38 -14.375 1.092 3.302 1.00 41.22 C ATOM 563 O SER A 38 -15.327 0.748 4.018 1.00 45.20 O ATOM 564 CB SER A 38 -12.734 2.703 4.316 1.00 35.24 C ATOM 565 OG SER A 38 -12.280 4.045 4.364 1.00 2.12 O ATOM 0 H SER A 38 -15.145 3.580 4.604 1.00 43.14 H new ATOM 0 HA SER A 38 -13.494 2.782 2.306 1.00 34.12 H new ATOM 0 HB2 SER A 38 -13.078 2.396 5.304 1.00 35.24 H new ATOM 0 HB3 SER A 38 -11.907 2.045 4.048 1.00 35.24 H new ATOM 0 HG SER A 38 -13.008 4.626 4.668 1.00 2.12 H new ATOM 571 N VAL A 39 -13.744 0.257 2.506 1.00 43.04 N ATOM 572 CA VAL A 39 -14.098 -1.145 2.424 1.00 14.53 C ATOM 573 C VAL A 39 -12.853 -1.994 2.323 1.00 0.11 C ATOM 574 O VAL A 39 -11.764 -1.497 2.015 1.00 74.32 O ATOM 575 CB VAL A 39 -15.063 -1.525 1.236 1.00 25.51 C ATOM 576 CG1 VAL A 39 -16.388 -0.796 1.311 1.00 34.51 C ATOM 577 CG2 VAL A 39 -14.406 -1.326 -0.120 1.00 51.24 C ATOM 0 H VAL A 39 -12.972 0.529 1.898 1.00 43.04 H new ATOM 0 HA VAL A 39 -14.648 -1.344 3.344 1.00 14.53 H new ATOM 0 HB VAL A 39 -15.274 -2.589 1.347 1.00 25.51 H new ATOM 0 HG11 VAL A 39 -17.015 -1.093 0.470 1.00 34.51 H new ATOM 0 HG12 VAL A 39 -16.890 -1.048 2.245 1.00 34.51 H new ATOM 0 HG13 VAL A 39 -16.214 0.279 1.272 1.00 34.51 H new ATOM 0 HG21 VAL A 39 -15.107 -1.600 -0.908 1.00 51.24 H new ATOM 0 HG22 VAL A 39 -14.120 -0.280 -0.236 1.00 51.24 H new ATOM 0 HG23 VAL A 39 -13.518 -1.954 -0.190 1.00 51.24 H new ATOM 587 N TYR A 40 -13.035 -3.242 2.566 1.00 60.21 N ATOM 588 CA TYR A 40 -12.023 -4.252 2.477 1.00 30.45 C ATOM 589 C TYR A 40 -12.331 -5.145 1.298 1.00 22.22 C ATOM 590 O TYR A 40 -13.465 -5.510 1.108 1.00 22.33 O ATOM 591 CB TYR A 40 -12.035 -5.096 3.762 1.00 24.24 C ATOM 592 CG TYR A 40 -11.418 -6.462 3.621 1.00 50.40 C ATOM 593 CD1 TYR A 40 -10.058 -6.649 3.674 1.00 51.22 C ATOM 594 CD2 TYR A 40 -12.232 -7.575 3.430 1.00 44.41 C ATOM 595 CE1 TYR A 40 -9.528 -7.904 3.541 1.00 53.30 C ATOM 596 CE2 TYR A 40 -11.715 -8.826 3.302 1.00 52.12 C ATOM 597 CZ TYR A 40 -10.370 -8.996 3.358 1.00 45.44 C ATOM 598 OH TYR A 40 -9.842 -10.260 3.236 1.00 14.55 O ATOM 0 H TYR A 40 -13.942 -3.614 2.849 1.00 60.21 H new ATOM 0 HA TYR A 40 -11.045 -3.788 2.352 1.00 30.45 H new ATOM 0 HB2 TYR A 40 -11.505 -4.551 4.544 1.00 24.24 H new ATOM 0 HB3 TYR A 40 -13.066 -5.210 4.096 1.00 24.24 H new ATOM 0 HD1 TYR A 40 -9.404 -5.802 3.821 1.00 51.22 H new ATOM 0 HD2 TYR A 40 -13.303 -7.441 3.382 1.00 44.41 H new ATOM 0 HE1 TYR A 40 -8.458 -8.046 3.578 1.00 53.30 H new ATOM 0 HE2 TYR A 40 -12.367 -9.675 3.157 1.00 52.12 H new ATOM 0 HH TYR A 40 -10.294 -10.865 3.861 1.00 14.55 H new ATOM 608 N VAL A 41 -11.336 -5.446 0.517 1.00 51.43 N ATOM 609 CA VAL A 41 -11.414 -6.383 -0.586 1.00 32.45 C ATOM 610 C VAL A 41 -10.380 -7.473 -0.335 1.00 42.10 C ATOM 611 O VAL A 41 -9.201 -7.191 -0.265 1.00 74.21 O ATOM 612 CB VAL A 41 -11.035 -5.691 -1.917 1.00 2.41 C ATOM 613 CG1 VAL A 41 -11.148 -6.652 -3.097 1.00 4.14 C ATOM 614 CG2 VAL A 41 -11.874 -4.457 -2.148 1.00 63.44 C ATOM 0 H VAL A 41 -10.409 -5.035 0.627 1.00 51.43 H new ATOM 0 HA VAL A 41 -12.429 -6.775 -0.654 1.00 32.45 H new ATOM 0 HB VAL A 41 -9.993 -5.381 -1.838 1.00 2.41 H new ATOM 0 HG11 VAL A 41 -10.875 -6.133 -4.016 1.00 4.14 H new ATOM 0 HG12 VAL A 41 -10.477 -7.497 -2.944 1.00 4.14 H new ATOM 0 HG13 VAL A 41 -12.173 -7.013 -3.175 1.00 4.14 H new ATOM 0 HG21 VAL A 41 -11.585 -3.992 -3.091 1.00 63.44 H new ATOM 0 HG22 VAL A 41 -12.927 -4.735 -2.188 1.00 63.44 H new ATOM 0 HG23 VAL A 41 -11.716 -3.752 -1.332 1.00 63.44 H new ATOM 624 N GLY A 42 -10.796 -8.681 -0.190 1.00 73.20 N ATOM 625 CA GLY A 42 -9.847 -9.722 0.079 1.00 2.23 C ATOM 626 C GLY A 42 -9.678 -10.687 -1.050 1.00 24.20 C ATOM 627 O GLY A 42 -10.503 -10.732 -1.955 1.00 52.15 O ATOM 0 H GLY A 42 -11.770 -8.978 -0.250 1.00 73.20 H new ATOM 0 HA2 GLY A 42 -8.881 -9.271 0.308 1.00 2.23 H new ATOM 0 HA3 GLY A 42 -10.162 -10.268 0.968 1.00 2.23 H new ATOM 631 N ASN A 43 -8.615 -11.481 -0.946 1.00 23.41 N ATOM 632 CA ASN A 43 -8.209 -12.526 -1.911 1.00 13.41 C ATOM 633 C ASN A 43 -8.009 -11.991 -3.361 1.00 70.14 C ATOM 634 O ASN A 43 -8.147 -12.728 -4.332 1.00 42.53 O ATOM 635 CB ASN A 43 -9.212 -13.696 -1.863 1.00 55.11 C ATOM 636 CG ASN A 43 -8.748 -14.957 -2.595 1.00 22.41 C ATOM 637 OD1 ASN A 43 -7.534 -15.246 -2.702 1.00 25.32 O ATOM 638 ND2 ASN A 43 -9.691 -15.713 -3.085 1.00 60.15 N ATOM 0 H ASN A 43 -7.977 -11.419 -0.153 1.00 23.41 H new ATOM 0 HA ASN A 43 -7.226 -12.885 -1.606 1.00 13.41 H new ATOM 0 HB2 ASN A 43 -9.409 -13.947 -0.821 1.00 55.11 H new ATOM 0 HB3 ASN A 43 -10.157 -13.367 -2.295 1.00 55.11 H new ATOM 0 HD21 ASN A 43 -9.451 -16.574 -3.576 1.00 60.15 H new ATOM 0 HD22 ASN A 43 -10.669 -15.443 -2.977 1.00 60.15 H new ATOM 645 N VAL A 44 -7.663 -10.713 -3.488 1.00 24.11 N ATOM 646 CA VAL A 44 -7.310 -10.151 -4.802 1.00 24.42 C ATOM 647 C VAL A 44 -6.085 -10.885 -5.342 1.00 64.20 C ATOM 648 O VAL A 44 -5.158 -11.220 -4.587 1.00 44.34 O ATOM 649 CB VAL A 44 -7.097 -8.597 -4.760 1.00 23.40 C ATOM 650 CG1 VAL A 44 -5.929 -8.188 -3.899 1.00 22.34 C ATOM 651 CG2 VAL A 44 -6.952 -8.036 -6.148 1.00 53.01 C ATOM 0 H VAL A 44 -7.618 -10.050 -2.714 1.00 24.11 H new ATOM 0 HA VAL A 44 -8.149 -10.305 -5.481 1.00 24.42 H new ATOM 0 HB VAL A 44 -7.991 -8.176 -4.300 1.00 23.40 H new ATOM 0 HG11 VAL A 44 -5.832 -7.102 -3.909 1.00 22.34 H new ATOM 0 HG12 VAL A 44 -6.094 -8.528 -2.877 1.00 22.34 H new ATOM 0 HG13 VAL A 44 -5.015 -8.638 -4.288 1.00 22.34 H new ATOM 0 HG21 VAL A 44 -6.806 -6.957 -6.091 1.00 53.01 H new ATOM 0 HG22 VAL A 44 -6.092 -8.494 -6.637 1.00 53.01 H new ATOM 0 HG23 VAL A 44 -7.853 -8.250 -6.723 1.00 53.01 H new ATOM 661 N ASP A 45 -6.107 -11.178 -6.618 1.00 73.43 N ATOM 662 CA ASP A 45 -5.073 -11.979 -7.210 1.00 51.01 C ATOM 663 C ASP A 45 -3.821 -11.154 -7.354 1.00 75.50 C ATOM 664 O ASP A 45 -3.887 -9.941 -7.531 1.00 63.13 O ATOM 665 CB ASP A 45 -5.521 -12.523 -8.580 1.00 71.43 C ATOM 666 CG ASP A 45 -4.599 -13.603 -9.131 1.00 64.40 C ATOM 667 OD1 ASP A 45 -3.514 -13.292 -9.654 1.00 32.13 O ATOM 668 OD2 ASP A 45 -4.963 -14.794 -9.061 1.00 32.45 O ATOM 0 H ASP A 45 -6.833 -10.871 -7.266 1.00 73.43 H new ATOM 0 HA ASP A 45 -4.869 -12.831 -6.562 1.00 51.01 H new ATOM 0 HB2 ASP A 45 -6.529 -12.927 -8.490 1.00 71.43 H new ATOM 0 HB3 ASP A 45 -5.570 -11.699 -9.292 1.00 71.43 H new ATOM 673 N TYR A 46 -2.695 -11.815 -7.292 1.00 22.44 N ATOM 674 CA TYR A 46 -1.398 -11.174 -7.404 1.00 22.52 C ATOM 675 C TYR A 46 -1.218 -10.567 -8.828 1.00 11.41 C ATOM 676 O TYR A 46 -0.310 -9.769 -9.081 1.00 32.54 O ATOM 677 CB TYR A 46 -0.297 -12.208 -7.071 1.00 12.10 C ATOM 678 CG TYR A 46 1.111 -11.663 -7.056 1.00 61.40 C ATOM 679 CD1 TYR A 46 1.599 -10.987 -5.947 1.00 45.21 C ATOM 680 CD2 TYR A 46 1.947 -11.827 -8.143 1.00 33.01 C ATOM 681 CE1 TYR A 46 2.884 -10.482 -5.931 1.00 63.24 C ATOM 682 CE2 TYR A 46 3.227 -11.335 -8.143 1.00 5.35 C ATOM 683 CZ TYR A 46 3.698 -10.664 -7.045 1.00 15.31 C ATOM 684 OH TYR A 46 4.978 -10.159 -7.071 1.00 12.34 O ATOM 0 H TYR A 46 -2.645 -12.825 -7.161 1.00 22.44 H new ATOM 0 HA TYR A 46 -1.322 -10.350 -6.694 1.00 22.52 H new ATOM 0 HB2 TYR A 46 -0.512 -12.643 -6.095 1.00 12.10 H new ATOM 0 HB3 TYR A 46 -0.349 -13.018 -7.799 1.00 12.10 H new ATOM 0 HD1 TYR A 46 0.964 -10.854 -5.083 1.00 45.21 H new ATOM 0 HD2 TYR A 46 1.584 -12.355 -9.013 1.00 33.01 H new ATOM 0 HE1 TYR A 46 3.253 -9.952 -5.065 1.00 63.24 H new ATOM 0 HE2 TYR A 46 3.862 -11.476 -9.005 1.00 5.35 H new ATOM 0 HH TYR A 46 5.556 -10.704 -6.498 1.00 12.34 H new ATOM 694 N GLY A 47 -2.085 -10.970 -9.745 1.00 31.21 N ATOM 695 CA GLY A 47 -2.063 -10.445 -11.079 1.00 50.52 C ATOM 696 C GLY A 47 -3.034 -9.296 -11.278 1.00 73.12 C ATOM 697 O GLY A 47 -3.033 -8.662 -12.347 1.00 14.44 O ATOM 0 H GLY A 47 -2.813 -11.664 -9.576 1.00 31.21 H new ATOM 0 HA2 GLY A 47 -1.054 -10.106 -11.314 1.00 50.52 H new ATOM 0 HA3 GLY A 47 -2.303 -11.243 -11.782 1.00 50.52 H new ATOM 701 N SER A 48 -3.868 -9.022 -10.284 1.00 11.30 N ATOM 702 CA SER A 48 -4.800 -7.945 -10.384 1.00 4.11 C ATOM 703 C SER A 48 -4.098 -6.610 -10.087 1.00 13.43 C ATOM 704 O SER A 48 -3.329 -6.495 -9.132 1.00 20.34 O ATOM 705 CB SER A 48 -5.917 -8.201 -9.410 1.00 72.13 C ATOM 706 OG SER A 48 -6.501 -9.477 -9.653 1.00 75.44 O ATOM 0 H SER A 48 -3.906 -9.540 -9.406 1.00 11.30 H new ATOM 0 HA SER A 48 -5.206 -7.883 -11.393 1.00 4.11 H new ATOM 0 HB2 SER A 48 -5.536 -8.156 -8.390 1.00 72.13 H new ATOM 0 HB3 SER A 48 -6.675 -7.423 -9.502 1.00 72.13 H new ATOM 0 HG SER A 48 -6.716 -9.562 -10.605 1.00 75.44 H new ATOM 712 N THR A 49 -4.345 -5.617 -10.911 1.00 52.51 N ATOM 713 CA THR A 49 -3.702 -4.338 -10.744 1.00 73.23 C ATOM 714 C THR A 49 -4.607 -3.363 -10.004 1.00 0.45 C ATOM 715 O THR A 49 -5.789 -3.643 -9.792 1.00 41.41 O ATOM 716 CB THR A 49 -3.348 -3.718 -12.107 1.00 71.11 C ATOM 717 OG1 THR A 49 -4.548 -3.505 -12.870 1.00 11.33 O ATOM 718 CG2 THR A 49 -2.393 -4.609 -12.891 1.00 10.21 C ATOM 0 H THR A 49 -4.986 -5.672 -11.702 1.00 52.51 H new ATOM 0 HA THR A 49 -2.794 -4.513 -10.167 1.00 73.23 H new ATOM 0 HB THR A 49 -2.851 -2.765 -11.926 1.00 71.11 H new ATOM 0 HG1 THR A 49 -4.823 -4.347 -13.289 1.00 11.33 H new ATOM 0 HG21 THR A 49 -2.163 -4.142 -13.849 1.00 10.21 H new ATOM 0 HG22 THR A 49 -1.473 -4.744 -12.323 1.00 10.21 H new ATOM 0 HG23 THR A 49 -2.859 -5.579 -13.063 1.00 10.21 H new ATOM 726 N ALA A 50 -4.051 -2.209 -9.621 1.00 75.21 N ATOM 727 CA ALA A 50 -4.811 -1.150 -8.992 1.00 63.31 C ATOM 728 C ALA A 50 -5.890 -0.645 -9.961 1.00 41.10 C ATOM 729 O ALA A 50 -7.037 -0.478 -9.584 1.00 50.42 O ATOM 730 CB ALA A 50 -3.850 -0.023 -8.598 1.00 65.54 C ATOM 0 H ALA A 50 -3.062 -1.993 -9.743 1.00 75.21 H new ATOM 0 HA ALA A 50 -5.309 -1.519 -8.095 1.00 63.31 H new ATOM 0 HB1 ALA A 50 -4.409 0.783 -8.122 1.00 65.54 H new ATOM 0 HB2 ALA A 50 -3.105 -0.407 -7.902 1.00 65.54 H new ATOM 0 HB3 ALA A 50 -3.352 0.358 -9.489 1.00 65.54 H new ATOM 736 N GLN A 51 -5.496 -0.435 -11.215 1.00 30.23 N ATOM 737 CA GLN A 51 -6.415 -0.017 -12.287 1.00 13.31 C ATOM 738 C GLN A 51 -7.552 -1.047 -12.434 1.00 20.43 C ATOM 739 O GLN A 51 -8.721 -0.665 -12.518 1.00 30.01 O ATOM 740 CB GLN A 51 -5.589 0.146 -13.593 1.00 41.31 C ATOM 741 CG GLN A 51 -6.277 0.712 -14.870 1.00 3.41 C ATOM 742 CD GLN A 51 -7.358 -0.172 -15.501 1.00 15.40 C ATOM 743 OE1 GLN A 51 -7.059 -1.060 -16.288 1.00 31.14 O ATOM 744 NE2 GLN A 51 -8.595 0.138 -15.270 1.00 25.44 N ATOM 0 H GLN A 51 -4.530 -0.548 -11.523 1.00 30.23 H new ATOM 0 HA GLN A 51 -6.886 0.938 -12.053 1.00 13.31 H new ATOM 0 HB2 GLN A 51 -4.742 0.792 -13.365 1.00 41.31 H new ATOM 0 HB3 GLN A 51 -5.184 -0.833 -13.847 1.00 41.31 H new ATOM 0 HG2 GLN A 51 -6.723 1.675 -14.621 1.00 3.41 H new ATOM 0 HG3 GLN A 51 -5.508 0.901 -15.619 1.00 3.41 H new ATOM 0 HE21 GLN A 51 -8.819 0.882 -14.609 1.00 25.44 H new ATOM 0 HE22 GLN A 51 -9.344 -0.362 -15.749 1.00 25.44 H new ATOM 753 N ASP A 52 -7.205 -2.345 -12.428 1.00 52.32 N ATOM 754 CA ASP A 52 -8.223 -3.432 -12.486 1.00 40.22 C ATOM 755 C ASP A 52 -9.228 -3.308 -11.373 1.00 50.25 C ATOM 756 O ASP A 52 -10.432 -3.447 -11.585 1.00 31.14 O ATOM 757 CB ASP A 52 -7.596 -4.835 -12.402 1.00 33.13 C ATOM 758 CG ASP A 52 -7.040 -5.356 -13.676 1.00 54.32 C ATOM 759 OD1 ASP A 52 -7.799 -5.537 -14.642 1.00 25.42 O ATOM 760 OD2 ASP A 52 -5.831 -5.632 -13.725 1.00 53.12 O ATOM 0 H ASP A 52 -6.241 -2.675 -12.384 1.00 52.32 H new ATOM 0 HA ASP A 52 -8.713 -3.316 -13.453 1.00 40.22 H new ATOM 0 HB2 ASP A 52 -6.800 -4.816 -11.658 1.00 33.13 H new ATOM 0 HB3 ASP A 52 -8.352 -5.533 -12.042 1.00 33.13 H new ATOM 765 N LEU A 53 -8.734 -3.031 -10.198 1.00 45.43 N ATOM 766 CA LEU A 53 -9.561 -2.914 -9.020 1.00 53.04 C ATOM 767 C LEU A 53 -10.409 -1.670 -9.056 1.00 71.03 C ATOM 768 O LEU A 53 -11.622 -1.728 -8.810 1.00 52.34 O ATOM 769 CB LEU A 53 -8.671 -2.896 -7.792 1.00 74.11 C ATOM 770 CG LEU A 53 -8.040 -4.221 -7.420 1.00 61.54 C ATOM 771 CD1 LEU A 53 -6.927 -4.000 -6.418 1.00 44.20 C ATOM 772 CD2 LEU A 53 -9.111 -5.114 -6.817 1.00 31.41 C ATOM 0 H LEU A 53 -7.740 -2.878 -10.025 1.00 45.43 H new ATOM 0 HA LEU A 53 -10.235 -3.770 -8.986 1.00 53.04 H new ATOM 0 HB2 LEU A 53 -7.876 -2.168 -7.953 1.00 74.11 H new ATOM 0 HB3 LEU A 53 -9.259 -2.544 -6.945 1.00 74.11 H new ATOM 0 HG LEU A 53 -7.618 -4.694 -8.307 1.00 61.54 H new ATOM 0 HD11 LEU A 53 -6.478 -4.958 -6.156 1.00 44.20 H new ATOM 0 HD12 LEU A 53 -6.168 -3.351 -6.855 1.00 44.20 H new ATOM 0 HD13 LEU A 53 -7.332 -3.531 -5.521 1.00 44.20 H new ATOM 0 HD21 LEU A 53 -8.673 -6.074 -6.543 1.00 31.41 H new ATOM 0 HD22 LEU A 53 -9.524 -4.637 -5.928 1.00 31.41 H new ATOM 0 HD23 LEU A 53 -9.905 -5.273 -7.546 1.00 31.41 H new ATOM 784 N GLU A 54 -9.784 -0.558 -9.377 1.00 63.55 N ATOM 785 CA GLU A 54 -10.432 0.728 -9.437 1.00 21.13 C ATOM 786 C GLU A 54 -11.571 0.714 -10.446 1.00 3.14 C ATOM 787 O GLU A 54 -12.664 1.099 -10.120 1.00 11.10 O ATOM 788 CB GLU A 54 -9.331 1.768 -9.746 1.00 14.33 C ATOM 789 CG GLU A 54 -9.667 3.260 -9.591 1.00 41.31 C ATOM 790 CD GLU A 54 -10.343 3.894 -10.785 1.00 61.33 C ATOM 791 OE1 GLU A 54 -11.575 3.906 -10.880 1.00 44.51 O ATOM 792 OE2 GLU A 54 -9.608 4.451 -11.640 1.00 20.02 O ATOM 0 H GLU A 54 -8.791 -0.525 -9.608 1.00 63.55 H new ATOM 0 HA GLU A 54 -10.908 0.991 -8.492 1.00 21.13 H new ATOM 0 HB2 GLU A 54 -8.480 1.551 -9.101 1.00 14.33 H new ATOM 0 HB3 GLU A 54 -9.002 1.607 -10.773 1.00 14.33 H new ATOM 0 HG2 GLU A 54 -10.312 3.382 -8.721 1.00 41.31 H new ATOM 0 HG3 GLU A 54 -8.746 3.804 -9.384 1.00 41.31 H new ATOM 799 N ALA A 55 -11.321 0.207 -11.635 1.00 42.40 N ATOM 800 CA ALA A 55 -12.376 0.092 -12.646 1.00 53.22 C ATOM 801 C ALA A 55 -13.523 -0.802 -12.151 1.00 33.04 C ATOM 802 O ALA A 55 -14.728 -0.460 -12.282 1.00 15.34 O ATOM 803 CB ALA A 55 -11.805 -0.456 -13.948 1.00 54.24 C ATOM 0 H ALA A 55 -10.407 -0.133 -11.933 1.00 42.40 H new ATOM 0 HA ALA A 55 -12.778 1.089 -12.828 1.00 53.22 H new ATOM 0 HB1 ALA A 55 -12.600 -0.536 -14.689 1.00 54.24 H new ATOM 0 HB2 ALA A 55 -11.031 0.217 -14.317 1.00 54.24 H new ATOM 0 HB3 ALA A 55 -11.375 -1.442 -13.770 1.00 54.24 H new ATOM 809 N HIS A 56 -13.151 -1.907 -11.518 1.00 51.11 N ATOM 810 CA HIS A 56 -14.124 -2.908 -11.078 1.00 43.43 C ATOM 811 C HIS A 56 -15.053 -2.319 -10.022 1.00 22.43 C ATOM 812 O HIS A 56 -16.263 -2.554 -10.033 1.00 4.01 O ATOM 813 CB HIS A 56 -13.407 -4.156 -10.534 1.00 44.53 C ATOM 814 CG HIS A 56 -14.308 -5.333 -10.274 1.00 21.14 C ATOM 815 ND1 HIS A 56 -14.523 -6.312 -11.203 1.00 61.35 N ATOM 816 CD2 HIS A 56 -15.023 -5.697 -9.184 1.00 12.25 C ATOM 817 CE1 HIS A 56 -15.325 -7.228 -10.711 1.00 0.33 C ATOM 818 NE2 HIS A 56 -15.650 -6.885 -9.485 1.00 34.04 N ATOM 0 H HIS A 56 -12.182 -2.136 -11.296 1.00 51.11 H new ATOM 0 HA HIS A 56 -14.725 -3.207 -11.937 1.00 43.43 H new ATOM 0 HB2 HIS A 56 -12.637 -4.455 -11.245 1.00 44.53 H new ATOM 0 HB3 HIS A 56 -12.899 -3.892 -9.606 1.00 44.53 H new ATOM 0 HD2 HIS A 56 -15.089 -5.156 -8.252 1.00 12.25 H new ATOM 0 HE1 HIS A 56 -15.661 -8.115 -11.228 1.00 0.33 H new ATOM 0 HE2 HIS A 56 -16.263 -7.410 -8.862 1.00 34.04 H new ATOM 827 N PHE A 57 -14.488 -1.565 -9.115 1.00 32.34 N ATOM 828 CA PHE A 57 -15.244 -0.905 -8.079 1.00 70.42 C ATOM 829 C PHE A 57 -15.890 0.373 -8.537 1.00 55.13 C ATOM 830 O PHE A 57 -16.849 0.843 -7.931 1.00 1.45 O ATOM 831 CB PHE A 57 -14.497 -0.782 -6.770 1.00 23.23 C ATOM 832 CG PHE A 57 -14.450 -2.079 -6.048 1.00 54.42 C ATOM 833 CD1 PHE A 57 -15.556 -2.509 -5.361 1.00 51.34 C ATOM 834 CD2 PHE A 57 -13.332 -2.875 -6.069 1.00 52.12 C ATOM 835 CE1 PHE A 57 -15.549 -3.709 -4.699 1.00 22.13 C ATOM 836 CE2 PHE A 57 -13.321 -4.082 -5.410 1.00 63.25 C ATOM 837 CZ PHE A 57 -14.427 -4.491 -4.728 1.00 11.21 C ATOM 0 H PHE A 57 -13.484 -1.390 -9.073 1.00 32.34 H new ATOM 0 HA PHE A 57 -16.075 -1.574 -7.857 1.00 70.42 H new ATOM 0 HB2 PHE A 57 -13.482 -0.433 -6.960 1.00 23.23 H new ATOM 0 HB3 PHE A 57 -14.980 -0.032 -6.143 1.00 23.23 H new ATOM 0 HD1 PHE A 57 -16.444 -1.894 -5.341 1.00 51.34 H new ATOM 0 HD2 PHE A 57 -12.454 -2.551 -6.607 1.00 52.12 H new ATOM 0 HE1 PHE A 57 -16.425 -4.035 -4.157 1.00 22.13 H new ATOM 0 HE2 PHE A 57 -12.438 -4.704 -5.433 1.00 63.25 H new ATOM 0 HZ PHE A 57 -14.418 -5.437 -4.208 1.00 11.21 H new ATOM 847 N SER A 58 -15.369 0.922 -9.610 1.00 33.50 N ATOM 848 CA SER A 58 -15.853 2.165 -10.168 1.00 71.34 C ATOM 849 C SER A 58 -17.263 1.971 -10.686 1.00 71.11 C ATOM 850 O SER A 58 -18.043 2.925 -10.747 1.00 62.42 O ATOM 851 CB SER A 58 -14.928 2.657 -11.293 1.00 22.31 C ATOM 852 OG SER A 58 -15.388 3.870 -11.878 1.00 13.02 O ATOM 0 H SER A 58 -14.589 0.514 -10.126 1.00 33.50 H new ATOM 0 HA SER A 58 -15.859 2.924 -9.386 1.00 71.34 H new ATOM 0 HB2 SER A 58 -13.924 2.806 -10.896 1.00 22.31 H new ATOM 0 HB3 SER A 58 -14.856 1.889 -12.063 1.00 22.31 H new ATOM 0 HG SER A 58 -14.770 4.147 -12.586 1.00 13.02 H new ATOM 858 N SER A 59 -17.604 0.737 -11.063 1.00 22.02 N ATOM 859 CA SER A 59 -18.959 0.438 -11.468 1.00 51.44 C ATOM 860 C SER A 59 -19.939 0.734 -10.303 1.00 44.44 C ATOM 861 O SER A 59 -21.065 1.178 -10.512 1.00 52.51 O ATOM 862 CB SER A 59 -19.042 -1.036 -11.846 1.00 75.32 C ATOM 863 OG SER A 59 -18.034 -1.368 -12.795 1.00 3.21 O ATOM 0 H SER A 59 -16.962 -0.055 -11.093 1.00 22.02 H new ATOM 0 HA SER A 59 -19.232 1.058 -12.321 1.00 51.44 H new ATOM 0 HB2 SER A 59 -18.927 -1.653 -10.955 1.00 75.32 H new ATOM 0 HB3 SER A 59 -20.026 -1.256 -12.261 1.00 75.32 H new ATOM 0 HG SER A 59 -18.101 -2.318 -13.025 1.00 3.21 H new ATOM 869 N CYS A 60 -19.473 0.511 -9.081 1.00 42.30 N ATOM 870 CA CYS A 60 -20.282 0.679 -7.886 1.00 21.12 C ATOM 871 C CYS A 60 -20.160 2.070 -7.249 1.00 22.31 C ATOM 872 O CYS A 60 -20.773 2.333 -6.202 1.00 11.53 O ATOM 873 CB CYS A 60 -19.901 -0.396 -6.882 1.00 70.14 C ATOM 874 SG CYS A 60 -20.126 -2.062 -7.513 1.00 44.12 S ATOM 0 H CYS A 60 -18.518 0.207 -8.893 1.00 42.30 H new ATOM 0 HA CYS A 60 -21.326 0.581 -8.184 1.00 21.12 H new ATOM 0 HB2 CYS A 60 -18.859 -0.261 -6.593 1.00 70.14 H new ATOM 0 HB3 CYS A 60 -20.501 -0.271 -5.980 1.00 70.14 H new ATOM 0 HG CYS A 60 -19.816 -2.922 -6.589 1.00 44.12 H new ATOM 880 N GLY A 61 -19.431 2.969 -7.876 1.00 32.31 N ATOM 881 CA GLY A 61 -19.281 4.274 -7.281 1.00 74.10 C ATOM 882 C GLY A 61 -18.046 5.011 -7.697 1.00 32.24 C ATOM 883 O GLY A 61 -17.346 4.612 -8.621 1.00 14.20 O ATOM 0 H GLY A 61 -18.950 2.827 -8.764 1.00 32.31 H new ATOM 0 HA2 GLY A 61 -20.152 4.878 -7.537 1.00 74.10 H new ATOM 0 HA3 GLY A 61 -19.276 4.166 -6.196 1.00 74.10 H new ATOM 887 N SER A 62 -17.785 6.095 -7.023 1.00 62.04 N ATOM 888 CA SER A 62 -16.648 6.922 -7.313 1.00 72.44 C ATOM 889 C SER A 62 -15.553 6.659 -6.275 1.00 74.00 C ATOM 890 O SER A 62 -15.810 6.696 -5.077 1.00 61.11 O ATOM 891 CB SER A 62 -17.091 8.376 -7.300 1.00 24.51 C ATOM 892 OG SER A 62 -18.194 8.558 -8.185 1.00 61.41 O ATOM 0 H SER A 62 -18.360 6.432 -6.251 1.00 62.04 H new ATOM 0 HA SER A 62 -16.240 6.691 -8.297 1.00 72.44 H new ATOM 0 HB2 SER A 62 -17.373 8.670 -6.289 1.00 24.51 H new ATOM 0 HB3 SER A 62 -16.264 9.019 -7.600 1.00 24.51 H new ATOM 0 HG SER A 62 -18.474 9.497 -8.169 1.00 61.41 H new ATOM 898 N ILE A 63 -14.366 6.369 -6.741 1.00 33.21 N ATOM 899 CA ILE A 63 -13.252 6.000 -5.876 1.00 74.01 C ATOM 900 C ILE A 63 -12.329 7.176 -5.518 1.00 32.13 C ATOM 901 O ILE A 63 -11.879 7.923 -6.389 1.00 54.51 O ATOM 902 CB ILE A 63 -12.443 4.855 -6.530 1.00 32.21 C ATOM 903 CG1 ILE A 63 -13.312 3.591 -6.602 1.00 55.31 C ATOM 904 CG2 ILE A 63 -11.119 4.599 -5.815 1.00 73.33 C ATOM 905 CD1 ILE A 63 -12.637 2.410 -7.236 1.00 63.41 C ATOM 0 H ILE A 63 -14.134 6.379 -7.734 1.00 33.21 H new ATOM 0 HA ILE A 63 -13.684 5.665 -4.933 1.00 74.01 H new ATOM 0 HB ILE A 63 -12.177 5.156 -7.543 1.00 32.21 H new ATOM 0 HG12 ILE A 63 -13.621 3.319 -5.593 1.00 55.31 H new ATOM 0 HG13 ILE A 63 -14.219 3.820 -7.162 1.00 55.31 H new ATOM 0 HG21 ILE A 63 -10.588 3.787 -6.312 1.00 73.33 H new ATOM 0 HG22 ILE A 63 -10.509 5.502 -5.844 1.00 73.33 H new ATOM 0 HG23 ILE A 63 -11.313 4.325 -4.778 1.00 73.33 H new ATOM 0 HD11 ILE A 63 -13.321 1.562 -7.246 1.00 63.41 H new ATOM 0 HD12 ILE A 63 -12.353 2.659 -8.258 1.00 63.41 H new ATOM 0 HD13 ILE A 63 -11.746 2.150 -6.665 1.00 63.41 H new ATOM 917 N ASN A 64 -12.062 7.316 -4.225 1.00 41.10 N ATOM 918 CA ASN A 64 -11.134 8.336 -3.702 1.00 41.11 C ATOM 919 C ASN A 64 -9.729 7.785 -3.598 1.00 74.21 C ATOM 920 O ASN A 64 -8.746 8.427 -4.016 1.00 63.03 O ATOM 921 CB ASN A 64 -11.546 8.832 -2.302 1.00 25.14 C ATOM 922 CG ASN A 64 -12.808 9.660 -2.267 1.00 15.30 C ATOM 923 OD1 ASN A 64 -13.172 10.330 -3.238 1.00 34.52 O ATOM 924 ND2 ASN A 64 -13.468 9.651 -1.140 1.00 2.24 N ATOM 0 H ASN A 64 -12.478 6.730 -3.502 1.00 41.10 H new ATOM 0 HA ASN A 64 -11.170 9.167 -4.407 1.00 41.11 H new ATOM 0 HB2 ASN A 64 -11.677 7.968 -1.651 1.00 25.14 H new ATOM 0 HB3 ASN A 64 -10.729 9.423 -1.887 1.00 25.14 H new ATOM 0 HD21 ASN A 64 -14.315 10.210 -1.041 1.00 2.24 H new ATOM 0 HD22 ASN A 64 -13.136 9.085 -0.359 1.00 2.24 H new ATOM 931 N ARG A 65 -9.634 6.582 -3.077 1.00 60.32 N ATOM 932 CA ARG A 65 -8.356 5.957 -2.782 1.00 43.11 C ATOM 933 C ARG A 65 -8.489 4.471 -2.876 1.00 13.11 C ATOM 934 O ARG A 65 -9.593 3.939 -2.755 1.00 21.13 O ATOM 935 CB ARG A 65 -7.908 6.259 -1.347 1.00 40.24 C ATOM 936 CG ARG A 65 -7.666 7.712 -0.984 1.00 51.34 C ATOM 937 CD ARG A 65 -7.283 7.781 0.473 1.00 63.23 C ATOM 938 NE ARG A 65 -6.905 9.120 0.935 1.00 13.53 N ATOM 939 CZ ARG A 65 -7.344 9.663 2.077 1.00 63.42 C ATOM 940 NH1 ARG A 65 -8.357 9.118 2.729 1.00 20.20 N ATOM 941 NH2 ARG A 65 -6.786 10.776 2.538 1.00 74.53 N ATOM 0 H ARG A 65 -10.442 6.004 -2.844 1.00 60.32 H new ATOM 0 HA ARG A 65 -7.633 6.349 -3.498 1.00 43.11 H new ATOM 0 HB2 ARG A 65 -8.663 5.863 -0.668 1.00 40.24 H new ATOM 0 HB3 ARG A 65 -6.988 5.706 -1.158 1.00 40.24 H new ATOM 0 HG2 ARG A 65 -6.874 8.131 -1.605 1.00 51.34 H new ATOM 0 HG3 ARG A 65 -8.563 8.304 -1.169 1.00 51.34 H new ATOM 0 HD2 ARG A 65 -8.120 7.425 1.074 1.00 63.23 H new ATOM 0 HD3 ARG A 65 -6.451 7.100 0.650 1.00 63.23 H new ATOM 0 HE ARG A 65 -6.272 9.669 0.353 1.00 13.53 H new ATOM 0 HH11 ARG A 65 -8.808 8.280 2.362 1.00 20.20 H new ATOM 0 HH12 ARG A 65 -8.688 9.536 3.599 1.00 20.20 H new ATOM 0 HH21 ARG A 65 -6.024 11.216 2.022 1.00 74.53 H new ATOM 0 HH22 ARG A 65 -7.119 11.191 3.408 1.00 74.53 H new ATOM 955 N ILE A 66 -7.371 3.796 -3.050 1.00 61.00 N ATOM 956 CA ILE A 66 -7.340 2.355 -3.022 1.00 10.20 C ATOM 957 C ILE A 66 -6.002 1.935 -2.476 1.00 52.31 C ATOM 958 O ILE A 66 -4.985 2.603 -2.701 1.00 42.40 O ATOM 959 CB ILE A 66 -7.626 1.591 -4.381 1.00 43.12 C ATOM 960 CG1 ILE A 66 -6.553 1.768 -5.421 1.00 51.45 C ATOM 961 CG2 ILE A 66 -8.969 1.947 -4.975 1.00 2.23 C ATOM 962 CD1 ILE A 66 -6.835 0.958 -6.678 1.00 15.21 C ATOM 0 H ILE A 66 -6.464 4.232 -3.214 1.00 61.00 H new ATOM 0 HA ILE A 66 -8.181 2.063 -2.393 1.00 10.20 H new ATOM 0 HB ILE A 66 -7.632 0.539 -4.095 1.00 43.12 H new ATOM 0 HG12 ILE A 66 -6.471 2.823 -5.681 1.00 51.45 H new ATOM 0 HG13 ILE A 66 -5.592 1.467 -5.004 1.00 51.45 H new ATOM 0 HG21 ILE A 66 -9.114 1.396 -5.904 1.00 2.23 H new ATOM 0 HG22 ILE A 66 -9.759 1.685 -4.271 1.00 2.23 H new ATOM 0 HG23 ILE A 66 -9.005 3.017 -5.179 1.00 2.23 H new ATOM 0 HD11 ILE A 66 -6.034 1.117 -7.400 1.00 15.21 H new ATOM 0 HD12 ILE A 66 -6.890 -0.101 -6.424 1.00 15.21 H new ATOM 0 HD13 ILE A 66 -7.783 1.277 -7.111 1.00 15.21 H new ATOM 974 N THR A 67 -6.014 0.905 -1.735 1.00 65.32 N ATOM 975 CA THR A 67 -4.844 0.362 -1.143 1.00 1.31 C ATOM 976 C THR A 67 -4.789 -1.089 -1.531 1.00 32.40 C ATOM 977 O THR A 67 -5.778 -1.761 -1.425 1.00 43.12 O ATOM 978 CB THR A 67 -4.917 0.496 0.385 1.00 75.22 C ATOM 979 OG1 THR A 67 -5.145 1.874 0.715 1.00 74.50 O ATOM 980 CG2 THR A 67 -3.627 0.024 1.037 1.00 61.41 C ATOM 0 H THR A 67 -6.865 0.390 -1.509 1.00 65.32 H new ATOM 0 HA THR A 67 -3.954 0.890 -1.484 1.00 1.31 H new ATOM 0 HB THR A 67 -5.732 -0.126 0.757 1.00 75.22 H new ATOM 0 HG1 THR A 67 -5.195 1.973 1.689 1.00 74.50 H new ATOM 0 HG21 THR A 67 -3.706 0.130 2.119 1.00 61.41 H new ATOM 0 HG22 THR A 67 -3.455 -1.023 0.787 1.00 61.41 H new ATOM 0 HG23 THR A 67 -2.794 0.626 0.674 1.00 61.41 H new ATOM 988 N ILE A 68 -3.676 -1.564 -1.985 1.00 31.35 N ATOM 989 CA ILE A 68 -3.572 -2.940 -2.386 1.00 22.33 C ATOM 990 C ILE A 68 -2.390 -3.494 -1.661 1.00 32.12 C ATOM 991 O ILE A 68 -1.337 -2.924 -1.732 1.00 33.15 O ATOM 992 CB ILE A 68 -3.303 -3.141 -3.929 1.00 1.01 C ATOM 993 CG1 ILE A 68 -4.196 -2.264 -4.830 1.00 22.35 C ATOM 994 CG2 ILE A 68 -3.443 -4.611 -4.320 1.00 21.15 C ATOM 995 CD1 ILE A 68 -3.721 -0.830 -4.929 1.00 15.35 C ATOM 0 H ILE A 68 -2.819 -1.022 -2.090 1.00 31.35 H new ATOM 0 HA ILE A 68 -4.519 -3.429 -2.160 1.00 22.33 H new ATOM 0 HB ILE A 68 -2.276 -2.816 -4.096 1.00 1.01 H new ATOM 0 HG12 ILE A 68 -4.230 -2.698 -5.829 1.00 22.35 H new ATOM 0 HG13 ILE A 68 -5.215 -2.276 -4.442 1.00 22.35 H new ATOM 0 HG21 ILE A 68 -3.253 -4.723 -5.387 1.00 21.15 H new ATOM 0 HG22 ILE A 68 -2.723 -5.207 -3.759 1.00 21.15 H new ATOM 0 HG23 ILE A 68 -4.453 -4.953 -4.093 1.00 21.15 H new ATOM 0 HD11 ILE A 68 -4.393 -0.268 -5.577 1.00 15.35 H new ATOM 0 HD12 ILE A 68 -3.714 -0.380 -3.936 1.00 15.35 H new ATOM 0 HD13 ILE A 68 -2.714 -0.808 -5.345 1.00 15.35 H new ATOM 1007 N LEU A 69 -2.561 -4.515 -0.921 1.00 62.23 N ATOM 1008 CA LEU A 69 -1.444 -5.129 -0.281 1.00 5.21 C ATOM 1009 C LEU A 69 -1.278 -6.578 -0.669 1.00 72.45 C ATOM 1010 O LEU A 69 -2.207 -7.366 -0.554 1.00 10.20 O ATOM 1011 CB LEU A 69 -1.283 -4.836 1.242 1.00 44.14 C ATOM 1012 CG LEU A 69 -2.417 -5.109 2.206 1.00 23.41 C ATOM 1013 CD1 LEU A 69 -1.885 -4.944 3.621 1.00 1.13 C ATOM 1014 CD2 LEU A 69 -3.538 -4.114 1.992 1.00 32.40 C ATOM 0 H LEU A 69 -3.463 -4.954 -0.735 1.00 62.23 H new ATOM 0 HA LEU A 69 -0.578 -4.610 -0.693 1.00 5.21 H new ATOM 0 HB2 LEU A 69 -0.422 -5.408 1.589 1.00 44.14 H new ATOM 0 HB3 LEU A 69 -1.026 -3.781 1.340 1.00 44.14 H new ATOM 0 HG LEU A 69 -2.799 -6.117 2.044 1.00 23.41 H new ATOM 0 HD11 LEU A 69 -2.686 -5.136 4.335 1.00 1.13 H new ATOM 0 HD12 LEU A 69 -1.072 -5.650 3.789 1.00 1.13 H new ATOM 0 HD13 LEU A 69 -1.516 -3.927 3.755 1.00 1.13 H new ATOM 0 HD21 LEU A 69 -4.347 -4.322 2.692 1.00 32.40 H new ATOM 0 HD22 LEU A 69 -3.164 -3.104 2.159 1.00 32.40 H new ATOM 0 HD23 LEU A 69 -3.910 -4.199 0.971 1.00 32.40 H new ATOM 1026 N CYS A 70 -0.111 -6.916 -1.143 1.00 30.42 N ATOM 1027 CA CYS A 70 0.184 -8.246 -1.615 1.00 61.53 C ATOM 1028 C CYS A 70 1.258 -8.840 -0.748 1.00 21.51 C ATOM 1029 O CYS A 70 2.288 -8.209 -0.526 1.00 41.11 O ATOM 1030 CB CYS A 70 0.659 -8.179 -3.066 1.00 53.43 C ATOM 1031 SG CYS A 70 -0.545 -7.446 -4.192 1.00 71.11 S ATOM 0 H CYS A 70 0.674 -6.269 -1.214 1.00 30.42 H new ATOM 0 HA CYS A 70 -0.710 -8.868 -1.566 1.00 61.53 H new ATOM 0 HB2 CYS A 70 1.582 -7.602 -3.110 1.00 53.43 H new ATOM 0 HB3 CYS A 70 0.896 -9.186 -3.408 1.00 53.43 H new ATOM 0 HG CYS A 70 -0.152 -7.618 -5.419 1.00 71.11 H new ATOM 1037 N ASP A 71 1.039 -10.018 -0.240 1.00 52.34 N ATOM 1038 CA ASP A 71 2.013 -10.605 0.644 1.00 70.22 C ATOM 1039 C ASP A 71 2.488 -11.903 0.107 1.00 14.10 C ATOM 1040 O ASP A 71 1.795 -12.549 -0.613 1.00 43.22 O ATOM 1041 CB ASP A 71 1.439 -10.837 2.033 1.00 61.43 C ATOM 1042 CG ASP A 71 0.481 -12.004 2.097 1.00 55.32 C ATOM 1043 OD1 ASP A 71 -0.708 -11.824 1.893 1.00 32.45 O ATOM 1044 OD2 ASP A 71 0.919 -13.120 2.370 1.00 34.53 O ATOM 0 H ASP A 71 0.210 -10.586 -0.416 1.00 52.34 H new ATOM 0 HA ASP A 71 2.843 -9.902 0.715 1.00 70.22 H new ATOM 0 HB2 ASP A 71 2.257 -11.009 2.733 1.00 61.43 H new ATOM 0 HB3 ASP A 71 0.923 -9.934 2.361 1.00 61.43 H new ATOM 1049 N LYS A 72 3.677 -12.271 0.433 1.00 62.31 N ATOM 1050 CA LYS A 72 4.180 -13.542 0.039 1.00 54.45 C ATOM 1051 C LYS A 72 4.700 -14.274 1.289 1.00 55.13 C ATOM 1052 O LYS A 72 5.410 -15.264 1.181 1.00 3.11 O ATOM 1053 CB LYS A 72 5.315 -13.347 -0.984 1.00 5.01 C ATOM 1054 CG LYS A 72 5.717 -14.613 -1.736 1.00 51.32 C ATOM 1055 CD LYS A 72 6.994 -14.419 -2.550 1.00 12.23 C ATOM 1056 CE LYS A 72 6.839 -13.337 -3.598 1.00 51.02 C ATOM 1057 NZ LYS A 72 8.082 -13.139 -4.377 1.00 25.35 N ATOM 0 H LYS A 72 4.327 -11.704 0.978 1.00 62.31 H new ATOM 0 HA LYS A 72 3.393 -14.136 -0.425 1.00 54.45 H new ATOM 0 HB2 LYS A 72 5.008 -12.592 -1.708 1.00 5.01 H new ATOM 0 HB3 LYS A 72 6.190 -12.955 -0.466 1.00 5.01 H new ATOM 0 HG2 LYS A 72 5.862 -15.426 -1.024 1.00 51.32 H new ATOM 0 HG3 LYS A 72 4.906 -14.912 -2.401 1.00 51.32 H new ATOM 0 HD2 LYS A 72 7.815 -14.161 -1.881 1.00 12.23 H new ATOM 0 HD3 LYS A 72 7.261 -15.358 -3.035 1.00 12.23 H new ATOM 0 HE2 LYS A 72 6.025 -13.600 -4.274 1.00 51.02 H new ATOM 0 HE3 LYS A 72 6.561 -12.401 -3.114 1.00 51.02 H new ATOM 0 HZ1 LYS A 72 7.871 -12.588 -5.233 1.00 25.35 H new ATOM 0 HZ2 LYS A 72 8.777 -12.626 -3.798 1.00 25.35 H new ATOM 0 HZ3 LYS A 72 8.473 -14.064 -4.648 1.00 25.35 H new ATOM 1071 N PHE A 73 4.316 -13.799 2.497 1.00 25.34 N ATOM 1072 CA PHE A 73 4.825 -14.427 3.727 1.00 44.42 C ATOM 1073 C PHE A 73 4.297 -15.849 3.887 1.00 42.52 C ATOM 1074 O PHE A 73 4.865 -16.658 4.617 1.00 4.11 O ATOM 1075 CB PHE A 73 4.571 -13.574 5.005 1.00 31.24 C ATOM 1076 CG PHE A 73 3.149 -13.475 5.503 1.00 5.24 C ATOM 1077 CD1 PHE A 73 2.641 -14.421 6.382 1.00 40.34 C ATOM 1078 CD2 PHE A 73 2.340 -12.437 5.122 1.00 4.13 C ATOM 1079 CE1 PHE A 73 1.353 -14.327 6.857 1.00 65.22 C ATOM 1080 CE2 PHE A 73 1.046 -12.334 5.595 1.00 42.13 C ATOM 1081 CZ PHE A 73 0.554 -13.281 6.462 1.00 42.32 C ATOM 0 H PHE A 73 3.681 -13.014 2.640 1.00 25.34 H new ATOM 0 HA PHE A 73 5.908 -14.480 3.613 1.00 44.42 H new ATOM 0 HB2 PHE A 73 5.182 -13.983 5.810 1.00 31.24 H new ATOM 0 HB3 PHE A 73 4.932 -12.564 4.813 1.00 31.24 H new ATOM 0 HD1 PHE A 73 3.266 -15.243 6.698 1.00 40.34 H new ATOM 0 HD2 PHE A 73 2.719 -11.688 4.442 1.00 4.13 H new ATOM 0 HE1 PHE A 73 0.971 -15.073 7.538 1.00 65.22 H new ATOM 0 HE2 PHE A 73 0.421 -11.510 5.284 1.00 42.13 H new ATOM 0 HZ PHE A 73 -0.458 -13.203 6.832 1.00 42.32 H new ATOM 1091 N SER A 74 3.207 -16.143 3.210 1.00 74.55 N ATOM 1092 CA SER A 74 2.642 -17.469 3.207 1.00 43.40 C ATOM 1093 C SER A 74 3.289 -18.339 2.108 1.00 72.20 C ATOM 1094 O SER A 74 2.814 -19.439 1.821 1.00 32.44 O ATOM 1095 CB SER A 74 1.139 -17.368 2.965 1.00 72.22 C ATOM 1096 OG SER A 74 0.532 -16.505 3.917 1.00 20.32 O ATOM 0 H SER A 74 2.690 -15.467 2.647 1.00 74.55 H new ATOM 0 HA SER A 74 2.835 -17.938 4.172 1.00 43.40 H new ATOM 0 HB2 SER A 74 0.952 -16.995 1.958 1.00 72.22 H new ATOM 0 HB3 SER A 74 0.689 -18.359 3.026 1.00 72.22 H new ATOM 0 HG SER A 74 -0.272 -16.932 4.280 1.00 20.32 H new ATOM 1102 N GLY A 75 4.351 -17.839 1.484 1.00 15.12 N ATOM 1103 CA GLY A 75 5.034 -18.576 0.434 1.00 4.41 C ATOM 1104 C GLY A 75 4.439 -18.276 -0.911 1.00 44.31 C ATOM 1105 O GLY A 75 5.144 -18.019 -1.879 1.00 52.13 O ATOM 0 H GLY A 75 4.755 -16.925 1.690 1.00 15.12 H new ATOM 0 HA2 GLY A 75 6.093 -18.317 0.433 1.00 4.41 H new ATOM 0 HA3 GLY A 75 4.968 -19.645 0.634 1.00 4.41 H new ATOM 1109 N HIS A 76 3.143 -18.304 -0.955 1.00 20.15 N ATOM 1110 CA HIS A 76 2.412 -17.971 -2.144 1.00 24.11 C ATOM 1111 C HIS A 76 2.031 -16.531 -2.027 1.00 21.25 C ATOM 1112 O HIS A 76 1.500 -16.126 -0.988 1.00 41.13 O ATOM 1113 CB HIS A 76 1.155 -18.831 -2.310 1.00 31.45 C ATOM 1114 CG HIS A 76 1.416 -20.296 -2.493 1.00 50.14 C ATOM 1115 ND1 HIS A 76 1.401 -20.914 -3.718 1.00 35.30 N ATOM 1116 CD2 HIS A 76 1.670 -21.269 -1.592 1.00 21.21 C ATOM 1117 CE1 HIS A 76 1.632 -22.197 -3.564 1.00 14.33 C ATOM 1118 NE2 HIS A 76 1.797 -22.442 -2.288 1.00 3.23 N ATOM 0 H HIS A 76 2.555 -18.560 -0.162 1.00 20.15 H new ATOM 0 HA HIS A 76 3.033 -18.158 -3.020 1.00 24.11 H new ATOM 0 HB2 HIS A 76 0.521 -18.696 -1.434 1.00 31.45 H new ATOM 0 HB3 HIS A 76 0.593 -18.466 -3.170 1.00 31.45 H new ATOM 0 HD2 HIS A 76 1.757 -21.146 -0.523 1.00 21.21 H new ATOM 0 HE1 HIS A 76 1.678 -22.929 -4.357 1.00 14.33 H new ATOM 0 HE2 HIS A 76 1.989 -23.357 -1.879 1.00 3.23 H new ATOM 1127 N PRO A 77 2.306 -15.726 -3.039 1.00 31.03 N ATOM 1128 CA PRO A 77 1.987 -14.318 -2.993 1.00 41.14 C ATOM 1129 C PRO A 77 0.473 -14.081 -3.123 1.00 61.45 C ATOM 1130 O PRO A 77 -0.166 -14.477 -4.113 1.00 33.25 O ATOM 1131 CB PRO A 77 2.775 -13.746 -4.168 1.00 12.10 C ATOM 1132 CG PRO A 77 2.852 -14.864 -5.144 1.00 50.21 C ATOM 1133 CD PRO A 77 2.941 -16.117 -4.319 1.00 10.52 C ATOM 0 HA PRO A 77 2.251 -13.843 -2.048 1.00 41.14 H new ATOM 0 HB2 PRO A 77 2.274 -12.878 -4.597 1.00 12.10 H new ATOM 0 HB3 PRO A 77 3.768 -13.420 -3.859 1.00 12.10 H new ATOM 0 HG2 PRO A 77 1.974 -14.882 -5.790 1.00 50.21 H new ATOM 0 HG3 PRO A 77 3.722 -14.759 -5.792 1.00 50.21 H new ATOM 0 HD2 PRO A 77 2.417 -16.948 -4.791 1.00 10.52 H new ATOM 0 HD3 PRO A 77 3.975 -16.432 -4.176 1.00 10.52 H new ATOM 1141 N LYS A 78 -0.090 -13.480 -2.107 1.00 62.24 N ATOM 1142 CA LYS A 78 -1.502 -13.238 -2.016 1.00 4.41 C ATOM 1143 C LYS A 78 -1.770 -11.763 -2.141 1.00 2.35 C ATOM 1144 O LYS A 78 -0.886 -10.998 -2.523 1.00 64.00 O ATOM 1145 CB LYS A 78 -2.024 -13.700 -0.641 1.00 45.01 C ATOM 1146 CG LYS A 78 -1.585 -15.090 -0.232 1.00 2.15 C ATOM 1147 CD LYS A 78 -2.442 -15.654 0.906 1.00 44.35 C ATOM 1148 CE LYS A 78 -2.471 -14.787 2.170 1.00 74.01 C ATOM 1149 NZ LYS A 78 -1.160 -14.645 2.829 1.00 3.50 N ATOM 0 H LYS A 78 0.435 -13.138 -1.302 1.00 62.24 H new ATOM 0 HA LYS A 78 -2.002 -13.787 -2.814 1.00 4.41 H new ATOM 0 HB2 LYS A 78 -1.690 -12.991 0.116 1.00 45.01 H new ATOM 0 HB3 LYS A 78 -3.113 -13.666 -0.651 1.00 45.01 H new ATOM 0 HG2 LYS A 78 -1.643 -15.756 -1.093 1.00 2.15 H new ATOM 0 HG3 LYS A 78 -0.541 -15.063 0.080 1.00 2.15 H new ATOM 0 HD2 LYS A 78 -3.463 -15.783 0.546 1.00 44.35 H new ATOM 0 HD3 LYS A 78 -2.069 -16.644 1.168 1.00 44.35 H new ATOM 0 HE2 LYS A 78 -2.845 -13.797 1.911 1.00 74.01 H new ATOM 0 HE3 LYS A 78 -3.178 -15.219 2.879 1.00 74.01 H new ATOM 0 HZ1 LYS A 78 -1.256 -14.033 3.664 1.00 3.50 H new ATOM 0 HZ2 LYS A 78 -0.816 -15.581 3.123 1.00 3.50 H new ATOM 0 HZ3 LYS A 78 -0.482 -14.220 2.165 1.00 3.50 H new ATOM 1163 N GLY A 79 -2.969 -11.361 -1.788 1.00 10.22 N ATOM 1164 CA GLY A 79 -3.316 -10.000 -1.871 1.00 72.23 C ATOM 1165 C GLY A 79 -4.641 -9.688 -1.235 1.00 45.01 C ATOM 1166 O GLY A 79 -5.549 -10.528 -1.191 1.00 72.12 O ATOM 0 H GLY A 79 -3.707 -11.974 -1.443 1.00 10.22 H new ATOM 0 HA2 GLY A 79 -2.540 -9.404 -1.391 1.00 72.23 H new ATOM 0 HA3 GLY A 79 -3.344 -9.702 -2.919 1.00 72.23 H new ATOM 1170 N TYR A 80 -4.722 -8.501 -0.718 1.00 61.52 N ATOM 1171 CA TYR A 80 -5.929 -7.919 -0.202 1.00 53.32 C ATOM 1172 C TYR A 80 -5.876 -6.423 -0.383 1.00 52.32 C ATOM 1173 O TYR A 80 -4.821 -5.832 -0.294 1.00 50.32 O ATOM 1174 CB TYR A 80 -6.286 -8.386 1.240 1.00 40.03 C ATOM 1175 CG TYR A 80 -5.205 -8.291 2.321 1.00 75.24 C ATOM 1176 CD1 TYR A 80 -4.166 -9.223 2.376 1.00 71.44 C ATOM 1177 CD2 TYR A 80 -5.262 -7.322 3.321 1.00 60.42 C ATOM 1178 CE1 TYR A 80 -3.216 -9.184 3.382 1.00 52.22 C ATOM 1179 CE2 TYR A 80 -4.303 -7.281 4.333 1.00 5.51 C ATOM 1180 CZ TYR A 80 -3.287 -8.218 4.352 1.00 24.14 C ATOM 1181 OH TYR A 80 -2.330 -8.187 5.343 1.00 14.10 O ATOM 0 H TYR A 80 -3.915 -7.882 -0.639 1.00 61.52 H new ATOM 0 HA TYR A 80 -6.771 -8.293 -0.784 1.00 53.32 H new ATOM 0 HB2 TYR A 80 -7.144 -7.804 1.575 1.00 40.03 H new ATOM 0 HB3 TYR A 80 -6.609 -9.425 1.183 1.00 40.03 H new ATOM 0 HD1 TYR A 80 -4.103 -9.990 1.618 1.00 71.44 H new ATOM 0 HD2 TYR A 80 -6.059 -6.593 3.312 1.00 60.42 H new ATOM 0 HE1 TYR A 80 -2.420 -9.914 3.403 1.00 52.22 H new ATOM 0 HE2 TYR A 80 -4.354 -6.521 5.098 1.00 5.51 H new ATOM 0 HH TYR A 80 -2.516 -7.444 5.955 1.00 14.10 H new ATOM 1191 N ALA A 81 -6.986 -5.823 -0.678 1.00 54.20 N ATOM 1192 CA ALA A 81 -7.029 -4.425 -1.020 1.00 24.31 C ATOM 1193 C ALA A 81 -8.126 -3.715 -0.256 1.00 21.10 C ATOM 1194 O ALA A 81 -9.032 -4.328 0.217 1.00 64.12 O ATOM 1195 CB ALA A 81 -7.253 -4.277 -2.522 1.00 23.13 C ATOM 0 H ALA A 81 -7.895 -6.286 -0.690 1.00 54.20 H new ATOM 0 HA ALA A 81 -6.078 -3.968 -0.746 1.00 24.31 H new ATOM 0 HB1 ALA A 81 -7.286 -3.219 -2.782 1.00 23.13 H new ATOM 0 HB2 ALA A 81 -6.437 -4.758 -3.061 1.00 23.13 H new ATOM 0 HB3 ALA A 81 -8.197 -4.748 -2.797 1.00 23.13 H new ATOM 1201 N TYR A 82 -7.989 -2.439 -0.088 1.00 53.12 N ATOM 1202 CA TYR A 82 -8.998 -1.617 0.550 1.00 42.33 C ATOM 1203 C TYR A 82 -9.392 -0.494 -0.377 1.00 32.23 C ATOM 1204 O TYR A 82 -8.534 0.248 -0.849 1.00 41.12 O ATOM 1205 CB TYR A 82 -8.449 -1.042 1.849 1.00 32.40 C ATOM 1206 CG TYR A 82 -8.132 -2.075 2.903 1.00 3.01 C ATOM 1207 CD1 TYR A 82 -7.009 -2.897 2.818 1.00 62.31 C ATOM 1208 CD2 TYR A 82 -8.947 -2.214 3.988 1.00 31.43 C ATOM 1209 CE1 TYR A 82 -6.734 -3.821 3.810 1.00 53.13 C ATOM 1210 CE2 TYR A 82 -8.673 -3.127 4.959 1.00 30.44 C ATOM 1211 CZ TYR A 82 -7.579 -3.925 4.873 1.00 50.45 C ATOM 1212 OH TYR A 82 -7.314 -4.825 5.890 1.00 53.34 O ATOM 0 H TYR A 82 -7.165 -1.919 -0.390 1.00 53.12 H new ATOM 0 HA TYR A 82 -9.873 -2.228 0.772 1.00 42.33 H new ATOM 0 HB2 TYR A 82 -7.544 -0.477 1.628 1.00 32.40 H new ATOM 0 HB3 TYR A 82 -9.174 -0.337 2.255 1.00 32.40 H new ATOM 0 HD1 TYR A 82 -6.347 -2.811 1.969 1.00 62.31 H new ATOM 0 HD2 TYR A 82 -9.824 -1.590 4.078 1.00 31.43 H new ATOM 0 HE1 TYR A 82 -5.860 -4.452 3.742 1.00 53.13 H new ATOM 0 HE2 TYR A 82 -9.334 -3.218 5.808 1.00 30.44 H new ATOM 0 HH TYR A 82 -6.345 -4.948 5.974 1.00 53.34 H new ATOM 1222 N ILE A 83 -10.662 -0.375 -0.669 1.00 11.21 N ATOM 1223 CA ILE A 83 -11.133 0.646 -1.596 1.00 22.50 C ATOM 1224 C ILE A 83 -11.898 1.727 -0.813 1.00 45.41 C ATOM 1225 O ILE A 83 -12.818 1.408 -0.061 1.00 4.40 O ATOM 1226 CB ILE A 83 -12.110 0.009 -2.638 1.00 10.52 C ATOM 1227 CG1 ILE A 83 -11.523 -1.274 -3.261 1.00 74.04 C ATOM 1228 CG2 ILE A 83 -12.481 0.992 -3.733 1.00 14.32 C ATOM 1229 CD1 ILE A 83 -10.217 -1.106 -4.010 1.00 50.41 C ATOM 0 H ILE A 83 -11.396 -0.969 -0.283 1.00 11.21 H new ATOM 0 HA ILE A 83 -10.276 1.081 -2.110 1.00 22.50 H new ATOM 0 HB ILE A 83 -13.015 -0.257 -2.092 1.00 10.52 H new ATOM 0 HG12 ILE A 83 -11.373 -2.005 -2.467 1.00 74.04 H new ATOM 0 HG13 ILE A 83 -12.261 -1.693 -3.945 1.00 74.04 H new ATOM 0 HG21 ILE A 83 -13.161 0.513 -4.437 1.00 14.32 H new ATOM 0 HG22 ILE A 83 -12.969 1.861 -3.292 1.00 14.32 H new ATOM 0 HG23 ILE A 83 -11.580 1.310 -4.257 1.00 14.32 H new ATOM 0 HD11 ILE A 83 -9.898 -2.070 -4.405 1.00 50.41 H new ATOM 0 HD12 ILE A 83 -10.357 -0.405 -4.833 1.00 50.41 H new ATOM 0 HD13 ILE A 83 -9.455 -0.722 -3.332 1.00 50.41 H new ATOM 1241 N GLU A 84 -11.497 2.972 -0.950 1.00 70.40 N ATOM 1242 CA GLU A 84 -12.184 4.081 -0.294 1.00 72.33 C ATOM 1243 C GLU A 84 -13.057 4.801 -1.334 1.00 52.11 C ATOM 1244 O GLU A 84 -12.538 5.302 -2.355 1.00 13.41 O ATOM 1245 CB GLU A 84 -11.141 5.062 0.256 1.00 21.40 C ATOM 1246 CG GLU A 84 -11.690 6.168 1.137 1.00 33.13 C ATOM 1247 CD GLU A 84 -10.618 7.169 1.523 1.00 71.43 C ATOM 1248 OE1 GLU A 84 -9.757 6.866 2.368 1.00 44.22 O ATOM 1249 OE2 GLU A 84 -10.603 8.252 0.965 1.00 13.34 O ATOM 0 H GLU A 84 -10.693 3.251 -1.513 1.00 70.40 H new ATOM 0 HA GLU A 84 -12.804 3.710 0.522 1.00 72.33 H new ATOM 0 HB2 GLU A 84 -10.403 4.499 0.827 1.00 21.40 H new ATOM 0 HB3 GLU A 84 -10.616 5.517 -0.584 1.00 21.40 H new ATOM 0 HG2 GLU A 84 -12.496 6.683 0.614 1.00 33.13 H new ATOM 0 HG3 GLU A 84 -12.122 5.733 2.038 1.00 33.13 H new ATOM 1256 N PHE A 85 -14.353 4.839 -1.110 1.00 40.11 N ATOM 1257 CA PHE A 85 -15.267 5.478 -2.046 1.00 31.03 C ATOM 1258 C PHE A 85 -15.637 6.898 -1.631 1.00 4.31 C ATOM 1259 O PHE A 85 -15.529 7.273 -0.469 1.00 73.11 O ATOM 1260 CB PHE A 85 -16.548 4.669 -2.196 1.00 50.41 C ATOM 1261 CG PHE A 85 -16.382 3.295 -2.768 1.00 41.25 C ATOM 1262 CD1 PHE A 85 -16.425 3.093 -4.138 1.00 73.21 C ATOM 1263 CD2 PHE A 85 -16.213 2.202 -1.941 1.00 31.15 C ATOM 1264 CE1 PHE A 85 -16.299 1.830 -4.666 1.00 43.53 C ATOM 1265 CE2 PHE A 85 -16.091 0.937 -2.461 1.00 61.22 C ATOM 1266 CZ PHE A 85 -16.133 0.749 -3.825 1.00 12.42 C ATOM 0 H PHE A 85 -14.803 4.436 -0.288 1.00 40.11 H new ATOM 0 HA PHE A 85 -14.736 5.524 -2.997 1.00 31.03 H new ATOM 0 HB2 PHE A 85 -17.018 4.581 -1.216 1.00 50.41 H new ATOM 0 HB3 PHE A 85 -17.237 5.227 -2.831 1.00 50.41 H new ATOM 0 HD1 PHE A 85 -16.559 3.937 -4.798 1.00 73.21 H new ATOM 0 HD2 PHE A 85 -16.176 2.344 -0.871 1.00 31.15 H new ATOM 0 HE1 PHE A 85 -16.330 1.684 -5.736 1.00 43.53 H new ATOM 0 HE2 PHE A 85 -15.962 0.091 -1.802 1.00 61.22 H new ATOM 0 HZ PHE A 85 -16.036 -0.245 -4.236 1.00 12.42 H new ATOM 1276 N ALA A 86 -16.054 7.683 -2.614 1.00 65.25 N ATOM 1277 CA ALA A 86 -16.527 9.043 -2.410 1.00 24.02 C ATOM 1278 C ALA A 86 -17.833 9.090 -1.636 1.00 5.44 C ATOM 1279 O ALA A 86 -18.010 9.939 -0.774 1.00 13.13 O ATOM 1280 CB ALA A 86 -16.690 9.747 -3.742 1.00 43.22 C ATOM 0 H ALA A 86 -16.073 7.388 -3.590 1.00 65.25 H new ATOM 0 HA ALA A 86 -15.775 9.558 -1.813 1.00 24.02 H new ATOM 0 HB1 ALA A 86 -17.045 10.764 -3.575 1.00 43.22 H new ATOM 0 HB2 ALA A 86 -15.730 9.777 -4.257 1.00 43.22 H new ATOM 0 HB3 ALA A 86 -17.413 9.207 -4.353 1.00 43.22 H new ATOM 1286 N GLU A 87 -18.761 8.212 -1.970 1.00 43.10 N ATOM 1287 CA GLU A 87 -20.029 8.165 -1.266 1.00 34.32 C ATOM 1288 C GLU A 87 -20.183 6.897 -0.477 1.00 53.40 C ATOM 1289 O GLU A 87 -19.571 5.872 -0.788 1.00 32.02 O ATOM 1290 CB GLU A 87 -21.224 8.336 -2.193 1.00 13.51 C ATOM 1291 CG GLU A 87 -21.300 9.677 -2.881 1.00 74.21 C ATOM 1292 CD GLU A 87 -22.564 9.816 -3.685 1.00 20.22 C ATOM 1293 OE1 GLU A 87 -22.596 9.345 -4.840 1.00 63.35 O ATOM 1294 OE2 GLU A 87 -23.548 10.397 -3.167 1.00 5.11 O ATOM 0 H GLU A 87 -18.662 7.526 -2.719 1.00 43.10 H new ATOM 0 HA GLU A 87 -20.012 9.011 -0.579 1.00 34.32 H new ATOM 0 HB2 GLU A 87 -21.193 7.554 -2.952 1.00 13.51 H new ATOM 0 HB3 GLU A 87 -22.138 8.185 -1.618 1.00 13.51 H new ATOM 0 HG2 GLU A 87 -21.252 10.472 -2.137 1.00 74.21 H new ATOM 0 HG3 GLU A 87 -20.437 9.801 -3.535 1.00 74.21 H new ATOM 1301 N ARG A 88 -21.012 6.966 0.540 1.00 63.31 N ATOM 1302 CA ARG A 88 -21.275 5.842 1.407 1.00 12.31 C ATOM 1303 C ARG A 88 -22.066 4.814 0.625 1.00 32.40 C ATOM 1304 O ARG A 88 -21.854 3.629 0.766 1.00 41.51 O ATOM 1305 CB ARG A 88 -22.099 6.308 2.615 1.00 72.34 C ATOM 1306 CG ARG A 88 -21.716 5.682 3.961 1.00 12.23 C ATOM 1307 CD ARG A 88 -21.741 4.149 3.994 1.00 15.01 C ATOM 1308 NE ARG A 88 -23.060 3.557 3.720 1.00 53.24 N ATOM 1309 CZ ARG A 88 -23.965 3.255 4.661 1.00 11.44 C ATOM 1310 NH1 ARG A 88 -23.810 3.685 5.913 1.00 62.22 N ATOM 1311 NH2 ARG A 88 -25.025 2.541 4.345 1.00 51.42 N ATOM 0 H ARG A 88 -21.526 7.811 0.790 1.00 63.31 H new ATOM 0 HA ARG A 88 -20.338 5.411 1.759 1.00 12.31 H new ATOM 0 HB2 ARG A 88 -22.006 7.391 2.699 1.00 72.34 H new ATOM 0 HB3 ARG A 88 -23.150 6.092 2.420 1.00 72.34 H new ATOM 0 HG2 ARG A 88 -20.715 6.020 4.230 1.00 12.23 H new ATOM 0 HG3 ARG A 88 -22.396 6.058 4.726 1.00 12.23 H new ATOM 0 HD2 ARG A 88 -21.027 3.770 3.263 1.00 15.01 H new ATOM 0 HD3 ARG A 88 -21.402 3.813 4.974 1.00 15.01 H new ATOM 0 HE ARG A 88 -23.302 3.363 2.748 1.00 53.24 H new ATOM 0 HH11 ARG A 88 -22.997 4.249 6.162 1.00 62.22 H new ATOM 0 HH12 ARG A 88 -24.504 3.450 6.623 1.00 62.22 H new ATOM 0 HH21 ARG A 88 -25.156 2.219 3.386 1.00 51.42 H new ATOM 0 HH22 ARG A 88 -25.715 2.310 5.059 1.00 51.42 H new ATOM 1325 N ASN A 89 -22.934 5.301 -0.256 1.00 34.25 N ATOM 1326 CA ASN A 89 -23.808 4.432 -1.055 1.00 44.11 C ATOM 1327 C ASN A 89 -23.033 3.570 -2.000 1.00 24.23 C ATOM 1328 O ASN A 89 -23.526 2.525 -2.442 1.00 50.24 O ATOM 1329 CB ASN A 89 -24.932 5.186 -1.799 1.00 40.35 C ATOM 1330 CG ASN A 89 -24.847 6.679 -1.721 1.00 10.02 C ATOM 1331 OD1 ASN A 89 -24.286 7.322 -2.579 1.00 1.14 O ATOM 1332 ND2 ASN A 89 -25.374 7.232 -0.668 1.00 1.31 N ATOM 0 H ASN A 89 -23.055 6.297 -0.439 1.00 34.25 H new ATOM 0 HA ASN A 89 -24.301 3.788 -0.327 1.00 44.11 H new ATOM 0 HB2 ASN A 89 -24.916 4.890 -2.848 1.00 40.35 H new ATOM 0 HB3 ASN A 89 -25.893 4.869 -1.393 1.00 40.35 H new ATOM 0 HD21 ASN A 89 -25.323 8.243 -0.543 1.00 1.31 H new ATOM 0 HD22 ASN A 89 -25.839 6.655 0.033 1.00 1.31 H new ATOM 1339 N SER A 90 -21.815 3.975 -2.317 1.00 11.02 N ATOM 1340 CA SER A 90 -20.966 3.200 -3.148 1.00 42.21 C ATOM 1341 C SER A 90 -20.549 1.922 -2.416 1.00 11.11 C ATOM 1342 O SER A 90 -20.442 0.859 -3.027 1.00 11.02 O ATOM 1343 CB SER A 90 -19.748 4.023 -3.521 1.00 4.34 C ATOM 1344 OG SER A 90 -20.134 5.258 -4.114 1.00 33.01 O ATOM 0 H SER A 90 -21.405 4.852 -1.996 1.00 11.02 H new ATOM 0 HA SER A 90 -21.496 2.918 -4.057 1.00 42.21 H new ATOM 0 HB2 SER A 90 -19.146 4.214 -2.632 1.00 4.34 H new ATOM 0 HB3 SER A 90 -19.123 3.461 -4.215 1.00 4.34 H new ATOM 0 HG SER A 90 -19.334 5.774 -4.345 1.00 33.01 H new ATOM 1350 N VAL A 91 -20.336 2.019 -1.087 1.00 11.30 N ATOM 1351 CA VAL A 91 -19.931 0.847 -0.333 1.00 74.44 C ATOM 1352 C VAL A 91 -21.090 -0.124 -0.273 1.00 32.14 C ATOM 1353 O VAL A 91 -20.898 -1.307 -0.432 1.00 55.04 O ATOM 1354 CB VAL A 91 -19.367 1.140 1.111 1.00 73.22 C ATOM 1355 CG1 VAL A 91 -18.392 2.291 1.115 1.00 14.43 C ATOM 1356 CG2 VAL A 91 -20.431 1.280 2.201 1.00 11.23 C ATOM 0 H VAL A 91 -20.437 2.875 -0.541 1.00 11.30 H new ATOM 0 HA VAL A 91 -19.086 0.415 -0.868 1.00 74.44 H new ATOM 0 HB VAL A 91 -18.818 0.238 1.381 1.00 73.22 H new ATOM 0 HG11 VAL A 91 -18.029 2.457 2.129 1.00 14.43 H new ATOM 0 HG12 VAL A 91 -17.551 2.057 0.463 1.00 14.43 H new ATOM 0 HG13 VAL A 91 -18.890 3.191 0.756 1.00 14.43 H new ATOM 0 HG21 VAL A 91 -19.948 1.480 3.157 1.00 11.23 H new ATOM 0 HG22 VAL A 91 -21.100 2.104 1.953 1.00 11.23 H new ATOM 0 HG23 VAL A 91 -21.005 0.356 2.270 1.00 11.23 H new ATOM 1366 N ASP A 92 -22.313 0.407 -0.090 1.00 33.01 N ATOM 1367 CA ASP A 92 -23.550 -0.400 -0.090 1.00 73.12 C ATOM 1368 C ASP A 92 -23.672 -1.172 -1.405 1.00 41.40 C ATOM 1369 O ASP A 92 -24.174 -2.296 -1.453 1.00 1.21 O ATOM 1370 CB ASP A 92 -24.789 0.509 0.038 1.00 22.00 C ATOM 1371 CG ASP A 92 -24.885 1.329 1.318 1.00 1.33 C ATOM 1372 OD1 ASP A 92 -24.147 2.292 1.480 1.00 44.42 O ATOM 1373 OD2 ASP A 92 -25.725 1.051 2.153 1.00 24.44 O ATOM 0 H ASP A 92 -22.473 1.403 0.062 1.00 33.01 H new ATOM 0 HA ASP A 92 -23.500 -1.087 0.755 1.00 73.12 H new ATOM 0 HB2 ASP A 92 -24.802 1.193 -0.810 1.00 22.00 H new ATOM 0 HB3 ASP A 92 -25.681 -0.113 -0.040 1.00 22.00 H new ATOM 1378 N ALA A 93 -23.237 -0.543 -2.477 1.00 0.45 N ATOM 1379 CA ALA A 93 -23.270 -1.157 -3.786 1.00 42.42 C ATOM 1380 C ALA A 93 -22.181 -2.226 -3.932 1.00 63.31 C ATOM 1381 O ALA A 93 -22.389 -3.264 -4.561 1.00 53.10 O ATOM 1382 CB ALA A 93 -23.170 -0.107 -4.881 1.00 61.42 C ATOM 0 H ALA A 93 -22.853 0.402 -2.465 1.00 0.45 H new ATOM 0 HA ALA A 93 -24.231 -1.660 -3.894 1.00 42.42 H new ATOM 0 HB1 ALA A 93 -23.197 -0.594 -5.856 1.00 61.42 H new ATOM 0 HB2 ALA A 93 -24.007 0.586 -4.798 1.00 61.42 H new ATOM 0 HB3 ALA A 93 -22.234 0.441 -4.775 1.00 61.42 H new ATOM 1388 N ALA A 94 -21.031 -1.963 -3.326 1.00 60.31 N ATOM 1389 CA ALA A 94 -19.886 -2.862 -3.398 1.00 61.55 C ATOM 1390 C ALA A 94 -20.072 -4.074 -2.483 1.00 53.24 C ATOM 1391 O ALA A 94 -19.775 -5.178 -2.861 1.00 21.34 O ATOM 1392 CB ALA A 94 -18.582 -2.124 -3.082 1.00 5.51 C ATOM 0 H ALA A 94 -20.865 -1.123 -2.772 1.00 60.31 H new ATOM 0 HA ALA A 94 -19.819 -3.230 -4.422 1.00 61.55 H new ATOM 0 HB1 ALA A 94 -17.746 -2.820 -3.144 1.00 5.51 H new ATOM 0 HB2 ALA A 94 -18.437 -1.318 -3.801 1.00 5.51 H new ATOM 0 HB3 ALA A 94 -18.634 -1.708 -2.076 1.00 5.51 H new ATOM 1398 N VAL A 95 -20.574 -3.844 -1.271 1.00 33.34 N ATOM 1399 CA VAL A 95 -20.824 -4.928 -0.290 1.00 11.20 C ATOM 1400 C VAL A 95 -21.755 -6.020 -0.836 1.00 62.42 C ATOM 1401 O VAL A 95 -21.725 -7.155 -0.370 1.00 72.02 O ATOM 1402 CB VAL A 95 -21.343 -4.424 1.086 1.00 51.40 C ATOM 1403 CG1 VAL A 95 -20.376 -3.441 1.708 1.00 53.31 C ATOM 1404 CG2 VAL A 95 -22.722 -3.824 0.978 1.00 70.54 C ATOM 0 H VAL A 95 -20.821 -2.914 -0.932 1.00 33.34 H new ATOM 0 HA VAL A 95 -19.840 -5.366 -0.122 1.00 11.20 H new ATOM 0 HB VAL A 95 -21.413 -5.293 1.741 1.00 51.40 H new ATOM 0 HG11 VAL A 95 -20.766 -3.106 2.669 1.00 53.31 H new ATOM 0 HG12 VAL A 95 -19.411 -3.925 1.857 1.00 53.31 H new ATOM 0 HG13 VAL A 95 -20.254 -2.583 1.047 1.00 53.31 H new ATOM 0 HG21 VAL A 95 -23.049 -3.484 1.961 1.00 70.54 H new ATOM 0 HG22 VAL A 95 -22.698 -2.978 0.291 1.00 70.54 H new ATOM 0 HG23 VAL A 95 -23.418 -4.576 0.604 1.00 70.54 H new ATOM 1414 N ALA A 96 -22.555 -5.667 -1.844 1.00 35.11 N ATOM 1415 CA ALA A 96 -23.473 -6.609 -2.510 1.00 11.43 C ATOM 1416 C ALA A 96 -22.682 -7.645 -3.325 1.00 33.35 C ATOM 1417 O ALA A 96 -23.231 -8.617 -3.831 1.00 33.00 O ATOM 1418 CB ALA A 96 -24.422 -5.850 -3.422 1.00 34.42 C ATOM 0 H ALA A 96 -22.589 -4.722 -2.226 1.00 35.11 H new ATOM 0 HA ALA A 96 -24.050 -7.132 -1.747 1.00 11.43 H new ATOM 0 HB1 ALA A 96 -25.097 -6.553 -3.910 1.00 34.42 H new ATOM 0 HB2 ALA A 96 -25.002 -5.139 -2.833 1.00 34.42 H new ATOM 0 HB3 ALA A 96 -23.849 -5.313 -4.178 1.00 34.42 H new ATOM 1424 N MET A 97 -21.404 -7.403 -3.440 1.00 73.53 N ATOM 1425 CA MET A 97 -20.486 -8.237 -4.190 1.00 31.44 C ATOM 1426 C MET A 97 -19.615 -9.055 -3.242 1.00 0.32 C ATOM 1427 O MET A 97 -18.690 -9.716 -3.691 1.00 61.11 O ATOM 1428 CB MET A 97 -19.569 -7.322 -5.001 1.00 50.53 C ATOM 1429 CG MET A 97 -20.285 -6.448 -6.003 1.00 55.40 C ATOM 1430 SD MET A 97 -19.375 -4.920 -6.375 1.00 70.33 S ATOM 1431 CE MET A 97 -17.774 -5.495 -6.889 1.00 55.10 C ATOM 0 H MET A 97 -20.954 -6.598 -3.004 1.00 73.53 H new ATOM 0 HA MET A 97 -21.054 -8.910 -4.832 1.00 31.44 H new ATOM 0 HB2 MET A 97 -19.012 -6.685 -4.314 1.00 50.53 H new ATOM 0 HB3 MET A 97 -18.839 -7.935 -5.529 1.00 50.53 H new ATOM 0 HG2 MET A 97 -20.438 -7.009 -6.925 1.00 55.40 H new ATOM 0 HG3 MET A 97 -21.272 -6.194 -5.617 1.00 55.40 H new ATOM 0 HE1 MET A 97 -17.186 -4.654 -7.255 1.00 55.10 H new ATOM 0 HE2 MET A 97 -17.263 -5.954 -6.042 1.00 55.10 H new ATOM 0 HE3 MET A 97 -17.890 -6.231 -7.685 1.00 55.10 H new ATOM 1441 N ASP A 98 -19.875 -8.965 -1.919 1.00 63.34 N ATOM 1442 CA ASP A 98 -19.028 -9.664 -0.902 1.00 51.22 C ATOM 1443 C ASP A 98 -18.673 -11.096 -1.244 1.00 45.44 C ATOM 1444 O ASP A 98 -17.584 -11.526 -0.916 1.00 51.44 O ATOM 1445 CB ASP A 98 -19.536 -9.558 0.554 1.00 30.04 C ATOM 1446 CG ASP A 98 -20.653 -10.493 0.917 1.00 51.50 C ATOM 1447 OD1 ASP A 98 -21.804 -10.194 0.628 1.00 72.25 O ATOM 1448 OD2 ASP A 98 -20.374 -11.535 1.558 1.00 55.44 O ATOM 0 H ASP A 98 -20.648 -8.428 -1.526 1.00 63.34 H new ATOM 0 HA ASP A 98 -18.103 -9.090 -0.953 1.00 51.22 H new ATOM 0 HB2 ASP A 98 -18.698 -9.741 1.227 1.00 30.04 H new ATOM 0 HB3 ASP A 98 -19.869 -8.535 0.731 1.00 30.04 H new ATOM 1453 N GLU A 99 -19.568 -11.853 -1.852 1.00 55.44 N ATOM 1454 CA GLU A 99 -19.182 -13.146 -2.336 1.00 53.53 C ATOM 1455 C GLU A 99 -19.286 -13.173 -3.867 1.00 50.22 C ATOM 1456 O GLU A 99 -20.358 -13.396 -4.436 1.00 60.34 O ATOM 1457 CB GLU A 99 -19.993 -14.268 -1.670 1.00 4.24 C ATOM 1458 CG GLU A 99 -19.496 -15.666 -1.997 1.00 4.02 C ATOM 1459 CD GLU A 99 -20.213 -16.740 -1.212 1.00 35.44 C ATOM 1460 OE1 GLU A 99 -21.282 -17.224 -1.658 1.00 72.44 O ATOM 1461 OE2 GLU A 99 -19.701 -17.145 -0.142 1.00 4.31 O ATOM 0 H GLU A 99 -20.541 -11.595 -2.015 1.00 55.44 H new ATOM 0 HA GLU A 99 -18.143 -13.331 -2.064 1.00 53.53 H new ATOM 0 HB2 GLU A 99 -19.968 -14.128 -0.589 1.00 4.24 H new ATOM 0 HB3 GLU A 99 -21.035 -14.182 -1.979 1.00 4.24 H new ATOM 0 HG2 GLU A 99 -19.626 -15.853 -3.063 1.00 4.02 H new ATOM 0 HG3 GLU A 99 -18.427 -15.724 -1.791 1.00 4.02 H new ATOM 1468 N THR A 100 -18.177 -12.859 -4.487 1.00 45.12 N ATOM 1469 CA THR A 100 -18.042 -12.829 -5.936 1.00 34.11 C ATOM 1470 C THR A 100 -16.724 -13.428 -6.360 1.00 4.21 C ATOM 1471 O THR A 100 -15.872 -13.723 -5.520 1.00 25.24 O ATOM 1472 CB THR A 100 -18.186 -11.400 -6.527 1.00 41.20 C ATOM 1473 OG1 THR A 100 -17.337 -10.478 -5.832 1.00 31.53 O ATOM 1474 CG2 THR A 100 -19.634 -10.920 -6.507 1.00 1.41 C ATOM 0 H THR A 100 -17.319 -12.610 -3.995 1.00 45.12 H new ATOM 0 HA THR A 100 -18.862 -13.427 -6.334 1.00 34.11 H new ATOM 0 HB THR A 100 -17.873 -11.445 -7.570 1.00 41.20 H new ATOM 0 HG1 THR A 100 -17.637 -10.393 -4.903 1.00 31.53 H new ATOM 0 HG21 THR A 100 -19.691 -9.917 -6.929 1.00 1.41 H new ATOM 0 HG22 THR A 100 -20.250 -11.597 -7.098 1.00 1.41 H new ATOM 0 HG23 THR A 100 -19.997 -10.903 -5.479 1.00 1.41 H new ATOM 1482 N VAL A 101 -16.543 -13.604 -7.644 1.00 10.31 N ATOM 1483 CA VAL A 101 -15.340 -14.179 -8.150 1.00 74.11 C ATOM 1484 C VAL A 101 -14.626 -13.194 -9.093 1.00 72.34 C ATOM 1485 O VAL A 101 -15.233 -12.638 -10.038 1.00 71.31 O ATOM 1486 CB VAL A 101 -15.597 -15.571 -8.823 1.00 55.34 C ATOM 1487 CG1 VAL A 101 -16.564 -15.476 -9.985 1.00 12.02 C ATOM 1488 CG2 VAL A 101 -14.304 -16.233 -9.249 1.00 3.44 C ATOM 0 H VAL A 101 -17.226 -13.352 -8.358 1.00 10.31 H new ATOM 0 HA VAL A 101 -14.674 -14.369 -7.308 1.00 74.11 H new ATOM 0 HB VAL A 101 -16.062 -16.200 -8.064 1.00 55.34 H new ATOM 0 HG11 VAL A 101 -16.710 -16.465 -10.419 1.00 12.02 H new ATOM 0 HG12 VAL A 101 -17.520 -15.090 -9.632 1.00 12.02 H new ATOM 0 HG13 VAL A 101 -16.159 -14.805 -10.742 1.00 12.02 H new ATOM 0 HG21 VAL A 101 -14.523 -17.196 -9.711 1.00 3.44 H new ATOM 0 HG22 VAL A 101 -13.788 -15.595 -9.966 1.00 3.44 H new ATOM 0 HG23 VAL A 101 -13.669 -16.386 -8.376 1.00 3.44 H new ATOM 1498 N PHE A 102 -13.373 -12.949 -8.796 1.00 24.25 N ATOM 1499 CA PHE A 102 -12.543 -12.051 -9.542 1.00 45.22 C ATOM 1500 C PHE A 102 -11.257 -12.780 -9.910 1.00 65.23 C ATOM 1501 O PHE A 102 -10.557 -13.300 -9.037 1.00 74.21 O ATOM 1502 CB PHE A 102 -12.249 -10.807 -8.694 1.00 72.32 C ATOM 1503 CG PHE A 102 -11.490 -9.727 -9.405 1.00 25.42 C ATOM 1504 CD1 PHE A 102 -12.158 -8.802 -10.183 1.00 54.01 C ATOM 1505 CD2 PHE A 102 -10.118 -9.628 -9.290 1.00 10.24 C ATOM 1506 CE1 PHE A 102 -11.474 -7.801 -10.834 1.00 50.21 C ATOM 1507 CE2 PHE A 102 -9.433 -8.626 -9.942 1.00 35.13 C ATOM 1508 CZ PHE A 102 -10.111 -7.713 -10.714 1.00 3.54 C ATOM 0 H PHE A 102 -12.895 -13.383 -8.006 1.00 24.25 H new ATOM 0 HA PHE A 102 -13.044 -11.728 -10.455 1.00 45.22 H new ATOM 0 HB2 PHE A 102 -13.194 -10.395 -8.339 1.00 72.32 H new ATOM 0 HB3 PHE A 102 -11.683 -11.110 -7.813 1.00 72.32 H new ATOM 0 HD1 PHE A 102 -13.232 -8.865 -10.282 1.00 54.01 H new ATOM 0 HD2 PHE A 102 -9.578 -10.341 -8.685 1.00 10.24 H new ATOM 0 HE1 PHE A 102 -12.010 -7.085 -11.439 1.00 50.21 H new ATOM 0 HE2 PHE A 102 -8.359 -8.558 -9.846 1.00 35.13 H new ATOM 0 HZ PHE A 102 -9.572 -6.929 -11.224 1.00 3.54 H new ATOM 1518 N ARG A 103 -10.969 -12.820 -11.202 1.00 12.14 N ATOM 1519 CA ARG A 103 -9.839 -13.555 -11.808 1.00 1.51 C ATOM 1520 C ARG A 103 -9.785 -15.021 -11.299 1.00 73.45 C ATOM 1521 O ARG A 103 -8.728 -15.637 -11.186 1.00 32.10 O ATOM 1522 CB ARG A 103 -8.503 -12.827 -11.571 1.00 11.12 C ATOM 1523 CG ARG A 103 -7.421 -13.307 -12.532 1.00 25.23 C ATOM 1524 CD ARG A 103 -6.079 -12.659 -12.304 1.00 55.33 C ATOM 1525 NE ARG A 103 -5.120 -13.093 -13.332 1.00 34.43 N ATOM 1526 CZ ARG A 103 -4.214 -14.070 -13.195 1.00 4.34 C ATOM 1527 NH1 ARG A 103 -4.170 -14.798 -12.087 1.00 50.23 N ATOM 1528 NH2 ARG A 103 -3.376 -14.339 -14.188 1.00 61.12 N ATOM 0 H ARG A 103 -11.531 -12.326 -11.895 1.00 12.14 H new ATOM 0 HA ARG A 103 -10.005 -13.586 -12.885 1.00 1.51 H new ATOM 0 HB2 ARG A 103 -8.647 -11.753 -11.692 1.00 11.12 H new ATOM 0 HB3 ARG A 103 -8.176 -12.991 -10.544 1.00 11.12 H new ATOM 0 HG2 ARG A 103 -7.314 -14.387 -12.435 1.00 25.23 H new ATOM 0 HG3 ARG A 103 -7.742 -13.109 -13.555 1.00 25.23 H new ATOM 0 HD2 ARG A 103 -6.183 -11.574 -12.329 1.00 55.33 H new ATOM 0 HD3 ARG A 103 -5.705 -12.921 -11.314 1.00 55.33 H new ATOM 0 HE ARG A 103 -5.148 -12.607 -14.228 1.00 34.43 H new ATOM 0 HH11 ARG A 103 -4.830 -14.616 -11.331 1.00 50.23 H new ATOM 0 HH12 ARG A 103 -3.477 -15.540 -11.991 1.00 50.23 H new ATOM 0 HH21 ARG A 103 -3.422 -13.802 -15.054 1.00 61.12 H new ATOM 0 HH22 ARG A 103 -2.685 -15.083 -14.085 1.00 61.12 H new ATOM 1542 N GLY A 104 -10.947 -15.564 -11.044 1.00 42.21 N ATOM 1543 CA GLY A 104 -11.052 -16.944 -10.624 1.00 44.02 C ATOM 1544 C GLY A 104 -10.887 -17.133 -9.122 1.00 12.15 C ATOM 1545 O GLY A 104 -10.901 -18.265 -8.631 1.00 62.51 O ATOM 0 H GLY A 104 -11.838 -15.073 -11.119 1.00 42.21 H new ATOM 0 HA2 GLY A 104 -12.023 -17.336 -10.928 1.00 44.02 H new ATOM 0 HA3 GLY A 104 -10.295 -17.532 -11.142 1.00 44.02 H new ATOM 1549 N ARG A 105 -10.689 -16.053 -8.394 1.00 64.44 N ATOM 1550 CA ARG A 105 -10.618 -16.126 -6.950 1.00 43.13 C ATOM 1551 C ARG A 105 -11.883 -15.553 -6.356 1.00 13.32 C ATOM 1552 O ARG A 105 -12.403 -14.560 -6.857 1.00 64.34 O ATOM 1553 CB ARG A 105 -9.435 -15.332 -6.393 1.00 22.54 C ATOM 1554 CG ARG A 105 -8.051 -15.777 -6.833 1.00 51.53 C ATOM 1555 CD ARG A 105 -7.006 -14.978 -6.073 1.00 71.23 C ATOM 1556 NE ARG A 105 -5.623 -15.329 -6.420 1.00 42.02 N ATOM 1557 CZ ARG A 105 -4.627 -15.445 -5.523 1.00 25.01 C ATOM 1558 NH1 ARG A 105 -4.889 -15.338 -4.207 1.00 63.03 N ATOM 1559 NH2 ARG A 105 -3.374 -15.679 -5.940 1.00 50.14 N ATOM 0 H ARG A 105 -10.575 -15.115 -8.779 1.00 64.44 H new ATOM 0 HA ARG A 105 -10.493 -17.176 -6.684 1.00 43.13 H new ATOM 0 HB2 ARG A 105 -9.563 -14.287 -6.675 1.00 22.54 H new ATOM 0 HB3 ARG A 105 -9.477 -15.376 -5.305 1.00 22.54 H new ATOM 0 HG2 ARG A 105 -7.921 -16.842 -6.643 1.00 51.53 H new ATOM 0 HG3 ARG A 105 -7.931 -15.627 -7.906 1.00 51.53 H new ATOM 0 HD2 ARG A 105 -7.161 -13.917 -6.268 1.00 71.23 H new ATOM 0 HD3 ARG A 105 -7.152 -15.131 -5.004 1.00 71.23 H new ATOM 0 HE ARG A 105 -5.404 -15.495 -7.402 1.00 42.02 H new ATOM 0 HH11 ARG A 105 -5.843 -15.169 -3.889 1.00 63.03 H new ATOM 0 HH12 ARG A 105 -4.133 -15.426 -3.528 1.00 63.03 H new ATOM 0 HH21 ARG A 105 -3.177 -15.769 -6.937 1.00 50.14 H new ATOM 0 HH22 ARG A 105 -2.618 -15.767 -5.260 1.00 50.14 H new ATOM 1573 N THR A 106 -12.387 -16.158 -5.320 1.00 64.12 N ATOM 1574 CA THR A 106 -13.530 -15.614 -4.653 1.00 50.04 C ATOM 1575 C THR A 106 -13.044 -14.502 -3.734 1.00 64.42 C ATOM 1576 O THR A 106 -12.237 -14.745 -2.820 1.00 32.44 O ATOM 1577 CB THR A 106 -14.239 -16.693 -3.808 1.00 42.44 C ATOM 1578 OG1 THR A 106 -14.520 -17.842 -4.631 1.00 50.35 O ATOM 1579 CG2 THR A 106 -15.551 -16.151 -3.242 1.00 14.43 C ATOM 0 H THR A 106 -12.025 -17.024 -4.921 1.00 64.12 H new ATOM 0 HA THR A 106 -14.239 -15.238 -5.391 1.00 50.04 H new ATOM 0 HB THR A 106 -13.585 -16.976 -2.983 1.00 42.44 H new ATOM 0 HG1 THR A 106 -14.969 -18.528 -4.093 1.00 50.35 H new ATOM 0 HG21 THR A 106 -16.038 -16.925 -2.649 1.00 14.43 H new ATOM 0 HG22 THR A 106 -15.345 -15.286 -2.612 1.00 14.43 H new ATOM 0 HG23 THR A 106 -16.206 -15.856 -4.061 1.00 14.43 H new ATOM 1587 N ILE A 107 -13.505 -13.313 -3.960 1.00 64.10 N ATOM 1588 CA ILE A 107 -13.078 -12.205 -3.160 1.00 14.22 C ATOM 1589 C ILE A 107 -14.120 -11.862 -2.138 1.00 3.44 C ATOM 1590 O ILE A 107 -15.236 -12.389 -2.169 1.00 30.32 O ATOM 1591 CB ILE A 107 -12.777 -10.949 -4.033 1.00 14.55 C ATOM 1592 CG1 ILE A 107 -14.034 -10.500 -4.808 1.00 24.53 C ATOM 1593 CG2 ILE A 107 -11.618 -11.235 -4.992 1.00 21.14 C ATOM 1594 CD1 ILE A 107 -13.848 -9.231 -5.620 1.00 31.02 C ATOM 0 H ILE A 107 -14.177 -13.082 -4.692 1.00 64.10 H new ATOM 0 HA ILE A 107 -12.158 -12.505 -2.658 1.00 14.22 H new ATOM 0 HB ILE A 107 -12.486 -10.133 -3.372 1.00 14.55 H new ATOM 0 HG12 ILE A 107 -14.340 -11.304 -5.477 1.00 24.53 H new ATOM 0 HG13 ILE A 107 -14.848 -10.348 -4.099 1.00 24.53 H new ATOM 0 HG21 ILE A 107 -11.418 -10.350 -5.596 1.00 21.14 H new ATOM 0 HG22 ILE A 107 -10.727 -11.492 -4.419 1.00 21.14 H new ATOM 0 HG23 ILE A 107 -11.883 -12.067 -5.645 1.00 21.14 H new ATOM 0 HD11 ILE A 107 -14.779 -8.987 -6.132 1.00 31.02 H new ATOM 0 HD12 ILE A 107 -13.574 -8.411 -4.956 1.00 31.02 H new ATOM 0 HD13 ILE A 107 -13.058 -9.382 -6.355 1.00 31.02 H new ATOM 1606 N LYS A 108 -13.749 -11.015 -1.224 1.00 12.52 N ATOM 1607 CA LYS A 108 -14.621 -10.617 -0.142 1.00 62.21 C ATOM 1608 C LYS A 108 -14.556 -9.125 0.038 1.00 13.52 C ATOM 1609 O LYS A 108 -13.479 -8.563 0.044 1.00 10.21 O ATOM 1610 CB LYS A 108 -14.163 -11.292 1.160 1.00 11.40 C ATOM 1611 CG LYS A 108 -14.980 -10.921 2.401 1.00 14.14 C ATOM 1612 CD LYS A 108 -16.407 -11.419 2.307 1.00 23.31 C ATOM 1613 CE LYS A 108 -17.218 -11.002 3.519 1.00 73.14 C ATOM 1614 NZ LYS A 108 -18.557 -11.646 3.548 1.00 5.21 N ATOM 0 H LYS A 108 -12.829 -10.574 -1.202 1.00 12.52 H new ATOM 0 HA LYS A 108 -15.642 -10.917 -0.378 1.00 62.21 H new ATOM 0 HB2 LYS A 108 -14.204 -12.373 1.026 1.00 11.40 H new ATOM 0 HB3 LYS A 108 -13.120 -11.033 1.339 1.00 11.40 H new ATOM 0 HG2 LYS A 108 -14.506 -11.343 3.287 1.00 14.14 H new ATOM 0 HG3 LYS A 108 -14.981 -9.838 2.525 1.00 14.14 H new ATOM 0 HD2 LYS A 108 -16.872 -11.026 1.403 1.00 23.31 H new ATOM 0 HD3 LYS A 108 -16.410 -12.506 2.221 1.00 23.31 H new ATOM 0 HE2 LYS A 108 -16.672 -11.262 4.426 1.00 73.14 H new ATOM 0 HE3 LYS A 108 -17.338 -9.919 3.518 1.00 73.14 H new ATOM 0 HZ1 LYS A 108 -19.028 -11.427 4.449 1.00 5.21 H new ATOM 0 HZ2 LYS A 108 -19.132 -11.286 2.760 1.00 5.21 H new ATOM 0 HZ3 LYS A 108 -18.449 -12.676 3.456 1.00 5.21 H new ATOM 1628 N VAL A 109 -15.693 -8.491 0.179 1.00 74.23 N ATOM 1629 CA VAL A 109 -15.733 -7.077 0.464 1.00 22.42 C ATOM 1630 C VAL A 109 -16.586 -6.792 1.677 1.00 44.54 C ATOM 1631 O VAL A 109 -17.726 -7.244 1.751 1.00 52.33 O ATOM 1632 CB VAL A 109 -16.157 -6.177 -0.745 1.00 11.22 C ATOM 1633 CG1 VAL A 109 -15.084 -6.168 -1.787 1.00 23.41 C ATOM 1634 CG2 VAL A 109 -17.429 -6.657 -1.385 1.00 52.00 C ATOM 0 H VAL A 109 -16.609 -8.934 0.101 1.00 74.23 H new ATOM 0 HA VAL A 109 -14.700 -6.800 0.677 1.00 22.42 H new ATOM 0 HB VAL A 109 -16.317 -5.174 -0.349 1.00 11.22 H new ATOM 0 HG11 VAL A 109 -15.393 -5.538 -2.622 1.00 23.41 H new ATOM 0 HG12 VAL A 109 -14.163 -5.775 -1.357 1.00 23.41 H new ATOM 0 HG13 VAL A 109 -14.914 -7.184 -2.143 1.00 23.41 H new ATOM 0 HG21 VAL A 109 -17.686 -6.004 -2.219 1.00 52.00 H new ATOM 0 HG22 VAL A 109 -17.291 -7.675 -1.750 1.00 52.00 H new ATOM 0 HG23 VAL A 109 -18.234 -6.641 -0.651 1.00 52.00 H new ATOM 1644 N LEU A 110 -16.041 -6.080 2.646 1.00 52.45 N ATOM 1645 CA LEU A 110 -16.815 -5.713 3.803 1.00 53.35 C ATOM 1646 C LEU A 110 -16.364 -4.318 4.295 1.00 5.24 C ATOM 1647 O LEU A 110 -15.191 -3.983 4.153 1.00 23.40 O ATOM 1648 CB LEU A 110 -16.888 -6.875 4.911 1.00 4.02 C ATOM 1649 CG LEU A 110 -15.917 -7.021 6.142 1.00 11.40 C ATOM 1650 CD1 LEU A 110 -14.508 -7.433 5.810 1.00 11.11 C ATOM 1651 CD2 LEU A 110 -15.956 -5.835 7.062 1.00 53.22 C ATOM 0 H LEU A 110 -15.076 -5.750 2.650 1.00 52.45 H new ATOM 0 HA LEU A 110 -17.865 -5.611 3.530 1.00 53.35 H new ATOM 0 HB2 LEU A 110 -17.893 -6.825 5.329 1.00 4.02 H new ATOM 0 HB3 LEU A 110 -16.817 -7.814 4.363 1.00 4.02 H new ATOM 0 HG LEU A 110 -16.327 -7.872 6.686 1.00 11.40 H new ATOM 0 HD11 LEU A 110 -13.924 -7.504 6.728 1.00 11.11 H new ATOM 0 HD12 LEU A 110 -14.520 -8.402 5.312 1.00 11.11 H new ATOM 0 HD13 LEU A 110 -14.058 -6.691 5.150 1.00 11.11 H new ATOM 0 HD21 LEU A 110 -15.266 -5.995 7.891 1.00 53.22 H new ATOM 0 HD22 LEU A 110 -15.664 -4.939 6.514 1.00 53.22 H new ATOM 0 HD23 LEU A 110 -16.967 -5.709 7.450 1.00 53.22 H new ATOM 1663 N PRO A 111 -17.298 -3.472 4.815 1.00 45.44 N ATOM 1664 CA PRO A 111 -16.994 -2.072 5.220 1.00 34.22 C ATOM 1665 C PRO A 111 -15.977 -1.966 6.357 1.00 74.24 C ATOM 1666 O PRO A 111 -16.021 -2.731 7.324 1.00 64.32 O ATOM 1667 CB PRO A 111 -18.356 -1.530 5.685 1.00 20.20 C ATOM 1668 CG PRO A 111 -19.352 -2.447 5.079 1.00 13.34 C ATOM 1669 CD PRO A 111 -18.711 -3.794 5.067 1.00 34.13 C ATOM 0 HA PRO A 111 -16.542 -1.520 4.396 1.00 34.22 H new ATOM 0 HB2 PRO A 111 -18.431 -1.527 6.772 1.00 20.20 H new ATOM 0 HB3 PRO A 111 -18.509 -0.503 5.352 1.00 20.20 H new ATOM 0 HG2 PRO A 111 -20.276 -2.459 5.658 1.00 13.34 H new ATOM 0 HG3 PRO A 111 -19.613 -2.129 4.069 1.00 13.34 H new ATOM 0 HD2 PRO A 111 -18.846 -4.316 6.014 1.00 34.13 H new ATOM 0 HD3 PRO A 111 -19.126 -4.434 4.289 1.00 34.13 H new ATOM 1677 N LYS A 112 -15.091 -1.001 6.249 1.00 64.31 N ATOM 1678 CA LYS A 112 -14.044 -0.780 7.222 1.00 62.40 C ATOM 1679 C LYS A 112 -13.729 0.689 7.382 1.00 32.45 C ATOM 1680 O LYS A 112 -14.271 1.524 6.676 1.00 52.13 O ATOM 1681 CB LYS A 112 -12.763 -1.527 6.859 1.00 50.33 C ATOM 1682 CG LYS A 112 -12.781 -3.009 7.148 1.00 23.33 C ATOM 1683 CD LYS A 112 -11.394 -3.619 7.034 1.00 63.15 C ATOM 1684 CE LYS A 112 -10.381 -2.879 7.932 1.00 73.05 C ATOM 1685 NZ LYS A 112 -9.054 -3.592 8.035 1.00 1.41 N ATOM 0 H LYS A 112 -15.077 -0.339 5.473 1.00 64.31 H new ATOM 0 HA LYS A 112 -14.424 -1.168 8.167 1.00 62.40 H new ATOM 0 HB2 LYS A 112 -12.565 -1.382 5.797 1.00 50.33 H new ATOM 0 HB3 LYS A 112 -11.932 -1.077 7.402 1.00 50.33 H new ATOM 0 HG2 LYS A 112 -13.173 -3.180 8.151 1.00 23.33 H new ATOM 0 HG3 LYS A 112 -13.456 -3.508 6.453 1.00 23.33 H new ATOM 0 HD2 LYS A 112 -11.433 -4.671 7.316 1.00 63.15 H new ATOM 0 HD3 LYS A 112 -11.061 -3.579 5.997 1.00 63.15 H new ATOM 0 HE2 LYS A 112 -10.219 -1.876 7.537 1.00 73.05 H new ATOM 0 HE3 LYS A 112 -10.804 -2.764 8.930 1.00 73.05 H new ATOM 0 HZ1 LYS A 112 -8.415 -3.049 8.650 1.00 1.41 H new ATOM 0 HZ2 LYS A 112 -9.200 -4.540 8.438 1.00 1.41 H new ATOM 0 HZ3 LYS A 112 -8.632 -3.679 7.088 1.00 1.41 H new ATOM 1699 N ARG A 113 -12.867 0.997 8.345 1.00 0.21 N ATOM 1700 CA ARG A 113 -12.402 2.367 8.551 1.00 30.33 C ATOM 1701 C ARG A 113 -11.030 2.496 7.899 1.00 51.03 C ATOM 1702 O ARG A 113 -10.626 3.563 7.428 1.00 45.35 O ATOM 1703 CB ARG A 113 -12.319 2.674 10.054 1.00 65.13 C ATOM 1704 CG ARG A 113 -13.563 2.239 10.822 1.00 41.41 C ATOM 1705 CD ARG A 113 -14.817 2.787 10.185 1.00 22.22 C ATOM 1706 NE ARG A 113 -16.036 2.277 10.820 1.00 30.20 N ATOM 1707 CZ ARG A 113 -17.239 2.261 10.226 1.00 32.21 C ATOM 1708 NH1 ARG A 113 -17.396 2.790 9.013 1.00 20.51 N ATOM 1709 NH2 ARG A 113 -18.291 1.741 10.854 1.00 43.32 N ATOM 0 H ARG A 113 -12.475 0.317 8.996 1.00 0.21 H new ATOM 0 HA ARG A 113 -13.096 3.079 8.104 1.00 30.33 H new ATOM 0 HB2 ARG A 113 -11.446 2.173 10.474 1.00 65.13 H new ATOM 0 HB3 ARG A 113 -12.169 3.745 10.193 1.00 65.13 H new ATOM 0 HG2 ARG A 113 -13.613 1.151 10.852 1.00 41.41 H new ATOM 0 HG3 ARG A 113 -13.496 2.584 11.854 1.00 41.41 H new ATOM 0 HD2 ARG A 113 -14.807 3.875 10.247 1.00 22.22 H new ATOM 0 HD3 ARG A 113 -14.826 2.528 9.126 1.00 22.22 H new ATOM 0 HE ARG A 113 -15.965 1.913 11.770 1.00 30.20 H new ATOM 0 HH11 ARG A 113 -16.600 3.209 8.532 1.00 20.51 H new ATOM 0 HH12 ARG A 113 -18.312 2.776 8.565 1.00 20.51 H new ATOM 0 HH21 ARG A 113 -18.185 1.352 11.791 1.00 43.32 H new ATOM 0 HH22 ARG A 113 -19.203 1.731 10.398 1.00 43.32 H new ATOM 1723 N THR A 114 -10.305 1.385 7.930 1.00 51.12 N ATOM 1724 CA THR A 114 -9.052 1.202 7.242 1.00 64.55 C ATOM 1725 C THR A 114 -7.890 1.914 7.910 1.00 3.43 C ATOM 1726 O THR A 114 -7.044 1.253 8.509 1.00 4.00 O ATOM 1727 CB THR A 114 -9.156 1.540 5.728 1.00 62.53 C ATOM 1728 OG1 THR A 114 -10.156 0.697 5.134 1.00 15.33 O ATOM 1729 CG2 THR A 114 -7.822 1.310 5.014 1.00 54.10 C ATOM 0 H THR A 114 -10.592 0.561 8.458 1.00 51.12 H new ATOM 0 HA THR A 114 -8.829 0.138 7.316 1.00 64.55 H new ATOM 0 HB THR A 114 -9.423 2.592 5.625 1.00 62.53 H new ATOM 0 HG1 THR A 114 -10.122 0.786 4.159 1.00 15.33 H new ATOM 0 HG21 THR A 114 -7.928 1.555 3.957 1.00 54.10 H new ATOM 0 HG22 THR A 114 -7.057 1.946 5.459 1.00 54.10 H new ATOM 0 HG23 THR A 114 -7.530 0.265 5.116 1.00 54.10 H new ATOM 1737 N ASN A 115 -7.873 3.243 7.860 1.00 14.12 N ATOM 1738 CA ASN A 115 -6.727 4.011 8.375 1.00 44.14 C ATOM 1739 C ASN A 115 -6.886 5.483 8.140 1.00 72.43 C ATOM 1740 O ASN A 115 -6.409 6.286 8.940 1.00 54.40 O ATOM 1741 CB ASN A 115 -5.431 3.554 7.690 1.00 63.01 C ATOM 1742 CG ASN A 115 -4.197 4.345 8.145 1.00 34.20 C ATOM 1743 OD1 ASN A 115 -3.553 3.995 9.100 1.00 2.43 O ATOM 1744 ND2 ASN A 115 -3.874 5.406 7.442 1.00 75.34 N ATOM 0 H ASN A 115 -8.627 3.812 7.474 1.00 14.12 H new ATOM 0 HA ASN A 115 -6.682 3.828 9.449 1.00 44.14 H new ATOM 0 HB2 ASN A 115 -5.272 2.495 7.896 1.00 63.01 H new ATOM 0 HB3 ASN A 115 -5.542 3.656 6.611 1.00 63.01 H new ATOM 0 HD21 ASN A 115 -3.057 5.959 7.700 1.00 75.34 H new ATOM 0 HD22 ASN A 115 -4.440 5.677 6.638 1.00 75.34 H new ATOM 1751 N MET A 116 -7.584 5.826 7.041 1.00 41.05 N ATOM 1752 CA MET A 116 -7.717 7.219 6.546 1.00 53.44 C ATOM 1753 C MET A 116 -6.368 7.636 5.897 1.00 42.40 C ATOM 1754 O MET A 116 -5.808 8.658 6.246 1.00 61.30 O ATOM 1755 CB MET A 116 -8.088 8.194 7.691 1.00 22.32 C ATOM 1756 CG MET A 116 -9.360 7.844 8.447 1.00 52.23 C ATOM 1757 SD MET A 116 -9.621 8.927 9.862 1.00 73.11 S ATOM 1758 CE MET A 116 -11.136 8.248 10.515 1.00 43.53 C ATOM 0 H MET A 116 -8.076 5.144 6.464 1.00 41.05 H new ATOM 0 HA MET A 116 -8.522 7.265 5.812 1.00 53.44 H new ATOM 0 HB2 MET A 116 -7.261 8.230 8.400 1.00 22.32 H new ATOM 0 HB3 MET A 116 -8.195 9.196 7.275 1.00 22.32 H new ATOM 0 HG2 MET A 116 -10.214 7.915 7.773 1.00 52.23 H new ATOM 0 HG3 MET A 116 -9.307 6.810 8.787 1.00 52.23 H new ATOM 0 HE1 MET A 116 -11.971 8.892 10.241 1.00 43.53 H new ATOM 0 HE2 MET A 116 -11.296 7.252 10.103 1.00 43.53 H new ATOM 0 HE3 MET A 116 -11.068 8.184 11.601 1.00 43.53 H new ATOM 1768 N PRO A 117 -5.905 6.847 4.858 1.00 51.14 N ATOM 1769 CA PRO A 117 -4.546 6.902 4.250 1.00 70.31 C ATOM 1770 C PRO A 117 -3.689 8.174 4.456 1.00 64.33 C ATOM 1771 O PRO A 117 -2.810 8.189 5.322 1.00 65.40 O ATOM 1772 CB PRO A 117 -4.845 6.632 2.803 1.00 20.44 C ATOM 1773 CG PRO A 117 -5.875 5.548 2.876 1.00 75.33 C ATOM 1774 CD PRO A 117 -6.723 5.851 4.107 1.00 41.35 C ATOM 0 HA PRO A 117 -3.889 6.189 4.748 1.00 70.31 H new ATOM 0 HB2 PRO A 117 -5.226 7.519 2.296 1.00 20.44 H new ATOM 0 HB3 PRO A 117 -3.957 6.311 2.259 1.00 20.44 H new ATOM 0 HG2 PRO A 117 -6.488 5.532 1.975 1.00 75.33 H new ATOM 0 HG3 PRO A 117 -5.404 4.568 2.959 1.00 75.33 H new ATOM 0 HD2 PRO A 117 -7.697 6.256 3.833 1.00 41.35 H new ATOM 0 HD3 PRO A 117 -6.906 4.954 4.699 1.00 41.35 H new ATOM 1782 N GLY A 118 -3.935 9.224 3.691 1.00 71.23 N ATOM 1783 CA GLY A 118 -3.113 10.406 3.835 1.00 63.54 C ATOM 1784 C GLY A 118 -3.370 11.439 2.764 1.00 74.42 C ATOM 1785 O GLY A 118 -4.239 11.250 1.898 1.00 21.51 O ATOM 0 H GLY A 118 -4.672 9.281 2.988 1.00 71.23 H new ATOM 0 HA2 GLY A 118 -3.296 10.852 4.813 1.00 63.54 H new ATOM 0 HA3 GLY A 118 -2.062 10.116 3.808 1.00 63.54 H new ATOM 1789 N ILE A 119 -2.616 12.508 2.820 1.00 12.44 N ATOM 1790 CA ILE A 119 -2.747 13.660 1.945 1.00 12.12 C ATOM 1791 C ILE A 119 -1.549 14.557 2.274 1.00 31.52 C ATOM 1792 O ILE A 119 -0.756 14.212 3.142 1.00 43.13 O ATOM 1793 CB ILE A 119 -4.091 14.439 2.298 1.00 23.42 C ATOM 1794 CG1 ILE A 119 -4.370 15.609 1.321 1.00 25.00 C ATOM 1795 CG2 ILE A 119 -4.048 14.962 3.742 1.00 32.13 C ATOM 1796 CD1 ILE A 119 -5.641 16.384 1.622 1.00 74.31 C ATOM 0 H ILE A 119 -1.863 12.610 3.501 1.00 12.44 H new ATOM 0 HA ILE A 119 -2.776 13.375 0.893 1.00 12.12 H new ATOM 0 HB ILE A 119 -4.907 13.724 2.194 1.00 23.42 H new ATOM 0 HG12 ILE A 119 -3.525 16.297 1.345 1.00 25.00 H new ATOM 0 HG13 ILE A 119 -4.431 15.214 0.307 1.00 25.00 H new ATOM 0 HG21 ILE A 119 -4.974 15.491 3.965 1.00 32.13 H new ATOM 0 HG22 ILE A 119 -3.935 14.124 4.429 1.00 32.13 H new ATOM 0 HG23 ILE A 119 -3.204 15.643 3.858 1.00 32.13 H new ATOM 0 HD11 ILE A 119 -5.761 17.184 0.892 1.00 74.31 H new ATOM 0 HD12 ILE A 119 -6.498 15.713 1.568 1.00 74.31 H new ATOM 0 HD13 ILE A 119 -5.578 16.812 2.622 1.00 74.31 H new ATOM 1808 N SER A 120 -1.383 15.649 1.596 1.00 4.32 N ATOM 1809 CA SER A 120 -0.438 16.616 2.045 1.00 4.20 C ATOM 1810 C SER A 120 -1.119 17.343 3.212 1.00 75.52 C ATOM 1811 O SER A 120 -1.929 18.255 3.012 1.00 54.20 O ATOM 1812 CB SER A 120 -0.061 17.567 0.912 1.00 61.14 C ATOM 1813 OG SER A 120 0.430 16.832 -0.216 1.00 42.10 O ATOM 0 H SER A 120 -1.883 15.890 0.740 1.00 4.32 H new ATOM 0 HA SER A 120 0.498 16.161 2.368 1.00 4.20 H new ATOM 0 HB2 SER A 120 -0.930 18.156 0.619 1.00 61.14 H new ATOM 0 HB3 SER A 120 0.699 18.269 1.256 1.00 61.14 H new ATOM 0 HG SER A 120 0.666 17.455 -0.935 1.00 42.10 H new ATOM 1819 N SER A 121 -0.868 16.835 4.410 1.00 34.31 N ATOM 1820 CA SER A 121 -1.529 17.270 5.622 1.00 60.43 C ATOM 1821 C SER A 121 -1.454 18.775 5.874 1.00 63.10 C ATOM 1822 O SER A 121 -0.390 19.401 5.784 1.00 52.23 O ATOM 1823 CB SER A 121 -1.012 16.469 6.816 1.00 52.53 C ATOM 1824 OG SER A 121 -1.232 15.069 6.610 1.00 2.31 O ATOM 0 H SER A 121 -0.184 16.094 4.565 1.00 34.31 H new ATOM 0 HA SER A 121 -2.591 17.068 5.485 1.00 60.43 H new ATOM 0 HB2 SER A 121 0.052 16.660 6.957 1.00 52.53 H new ATOM 0 HB3 SER A 121 -1.517 16.793 7.726 1.00 52.53 H new ATOM 0 HG SER A 121 -2.101 14.816 6.986 1.00 2.31 H new ATOM 1830 N THR A 122 -2.608 19.327 6.155 1.00 60.10 N ATOM 1831 CA THR A 122 -2.800 20.707 6.463 1.00 12.31 C ATOM 1832 C THR A 122 -4.188 20.803 7.096 1.00 61.35 C ATOM 1833 O THR A 122 -5.031 19.922 6.854 1.00 20.12 O ATOM 1834 CB THR A 122 -2.703 21.605 5.179 1.00 41.13 C ATOM 1835 OG1 THR A 122 -2.886 22.990 5.516 1.00 32.32 O ATOM 1836 CG2 THR A 122 -3.733 21.197 4.123 1.00 40.34 C ATOM 0 H THR A 122 -3.477 18.793 6.174 1.00 60.10 H new ATOM 0 HA THR A 122 -2.025 21.069 7.138 1.00 12.31 H new ATOM 0 HB THR A 122 -1.707 21.460 4.760 1.00 41.13 H new ATOM 0 HG1 THR A 122 -2.821 23.536 4.704 1.00 32.32 H new ATOM 0 HG21 THR A 122 -3.634 21.842 3.250 1.00 40.34 H new ATOM 0 HG22 THR A 122 -3.563 20.161 3.830 1.00 40.34 H new ATOM 0 HG23 THR A 122 -4.737 21.297 4.536 1.00 40.34 H new ATOM 1844 N ASP A 123 -4.429 21.806 7.905 1.00 4.34 N ATOM 1845 CA ASP A 123 -5.720 21.925 8.577 1.00 42.11 C ATOM 1846 C ASP A 123 -6.102 23.367 8.811 1.00 54.34 C ATOM 1847 O ASP A 123 -6.978 23.894 8.134 1.00 23.24 O ATOM 1848 CB ASP A 123 -5.739 21.139 9.897 1.00 54.31 C ATOM 1849 CG ASP A 123 -7.052 21.280 10.648 1.00 32.01 C ATOM 1850 OD1 ASP A 123 -8.042 20.640 10.257 1.00 23.44 O ATOM 1851 OD2 ASP A 123 -7.096 22.023 11.662 1.00 45.04 O ATOM 0 H ASP A 123 -3.763 22.549 8.119 1.00 4.34 H new ATOM 0 HA ASP A 123 -6.464 21.490 7.910 1.00 42.11 H new ATOM 0 HB2 ASP A 123 -5.556 20.085 9.689 1.00 54.31 H new ATOM 0 HB3 ASP A 123 -4.924 21.485 10.532 1.00 54.31 H new ATOM 1856 N ARG A 124 -5.435 24.006 9.738 1.00 45.12 N ATOM 1857 CA ARG A 124 -5.745 25.381 10.087 1.00 51.13 C ATOM 1858 C ARG A 124 -4.580 26.278 9.700 1.00 23.40 C ATOM 1859 O ARG A 124 -3.444 25.796 9.574 1.00 61.13 O ATOM 1860 CB ARG A 124 -6.016 25.476 11.599 1.00 52.21 C ATOM 1861 CG ARG A 124 -6.496 26.840 12.100 1.00 0.41 C ATOM 1862 CD ARG A 124 -7.837 27.228 11.481 1.00 74.02 C ATOM 1863 NE ARG A 124 -8.364 28.483 12.037 1.00 71.15 N ATOM 1864 CZ ARG A 124 -9.458 29.129 11.588 1.00 52.22 C ATOM 1865 NH1 ARG A 124 -10.118 28.672 10.514 1.00 33.14 N ATOM 1866 NH2 ARG A 124 -9.885 30.234 12.208 1.00 42.31 N ATOM 0 H ARG A 124 -4.667 23.598 10.272 1.00 45.12 H new ATOM 0 HA ARG A 124 -6.634 25.708 9.548 1.00 51.13 H new ATOM 0 HB2 ARG A 124 -6.763 24.728 11.864 1.00 52.21 H new ATOM 0 HB3 ARG A 124 -5.101 25.215 12.131 1.00 52.21 H new ATOM 0 HG2 ARG A 124 -6.589 26.817 13.186 1.00 0.41 H new ATOM 0 HG3 ARG A 124 -5.751 27.599 11.860 1.00 0.41 H new ATOM 0 HD2 ARG A 124 -7.721 27.331 10.402 1.00 74.02 H new ATOM 0 HD3 ARG A 124 -8.558 26.428 11.649 1.00 74.02 H new ATOM 0 HE ARG A 124 -7.863 28.897 12.823 1.00 71.15 H new ATOM 0 HH11 ARG A 124 -9.792 27.833 10.034 1.00 33.14 H new ATOM 0 HH12 ARG A 124 -10.946 29.163 10.177 1.00 33.14 H new ATOM 0 HH21 ARG A 124 -9.382 30.589 13.022 1.00 42.31 H new ATOM 0 HH22 ARG A 124 -10.713 30.722 11.867 1.00 42.31 H new TER 1880 ARG A 124 ATOM 1881 N ALA B 1 16.960 -19.392 33.296 1.00 33.31 N ATOM 1882 CA ALA B 1 16.821 -18.097 33.952 1.00 13.32 C ATOM 1883 C ALA B 1 16.207 -17.091 32.991 1.00 44.20 C ATOM 1884 O ALA B 1 15.971 -15.924 33.333 1.00 52.13 O ATOM 1885 CB ALA B 1 18.177 -17.607 34.442 1.00 32.32 C ATOM 0 H1 ALA B 1 17.317 -20.091 33.979 1.00 33.31 H new ATOM 0 H2 ALA B 1 16.034 -19.700 32.937 1.00 33.31 H new ATOM 0 H3 ALA B 1 17.629 -19.310 32.504 1.00 33.31 H new ATOM 0 HA ALA B 1 16.162 -18.205 34.813 1.00 13.32 H new ATOM 0 HB1 ALA B 1 18.060 -16.639 34.930 1.00 32.32 H new ATOM 0 HB2 ALA B 1 18.588 -18.324 35.153 1.00 32.32 H new ATOM 0 HB3 ALA B 1 18.855 -17.506 33.595 1.00 32.32 H new ATOM 1891 N ILE B 2 15.950 -17.553 31.794 1.00 54.53 N ATOM 1892 CA ILE B 2 15.362 -16.732 30.762 1.00 23.53 C ATOM 1893 C ILE B 2 13.849 -16.719 30.934 1.00 22.30 C ATOM 1894 O ILE B 2 13.217 -17.783 30.933 1.00 45.42 O ATOM 1895 CB ILE B 2 15.714 -17.274 29.349 1.00 41.11 C ATOM 1896 CG1 ILE B 2 17.240 -17.329 29.162 1.00 13.20 C ATOM 1897 CG2 ILE B 2 15.071 -16.405 28.263 1.00 35.34 C ATOM 1898 CD1 ILE B 2 17.683 -17.905 27.831 1.00 42.31 C ATOM 0 H ILE B 2 16.143 -18.512 31.505 1.00 54.53 H new ATOM 0 HA ILE B 2 15.762 -15.722 30.853 1.00 23.53 H new ATOM 0 HB ILE B 2 15.317 -18.285 29.258 1.00 41.11 H new ATOM 0 HG12 ILE B 2 17.643 -16.321 29.261 1.00 13.20 H new ATOM 0 HG13 ILE B 2 17.672 -17.926 29.965 1.00 13.20 H new ATOM 0 HG21 ILE B 2 15.329 -16.800 27.281 1.00 35.34 H new ATOM 0 HG22 ILE B 2 13.988 -16.413 28.384 1.00 35.34 H new ATOM 0 HG23 ILE B 2 15.438 -15.382 28.350 1.00 35.34 H new ATOM 0 HD11 ILE B 2 18.772 -17.908 27.780 1.00 42.31 H new ATOM 0 HD12 ILE B 2 17.312 -18.926 27.735 1.00 42.31 H new ATOM 0 HD13 ILE B 2 17.284 -17.296 27.020 1.00 42.31 H new ATOM 1910 N ALA B 3 13.282 -15.545 31.110 1.00 62.42 N ATOM 1911 CA ALA B 3 11.846 -15.393 31.259 1.00 1.40 C ATOM 1912 C ALA B 3 11.440 -13.957 30.979 1.00 22.33 C ATOM 1913 O ALA B 3 12.040 -13.026 31.533 1.00 33.22 O ATOM 1914 CB ALA B 3 11.400 -15.794 32.658 1.00 52.44 C ATOM 0 H ALA B 3 13.801 -14.668 31.154 1.00 62.42 H new ATOM 0 HA ALA B 3 11.358 -16.050 30.540 1.00 1.40 H new ATOM 0 HB1 ALA B 3 10.320 -15.671 32.745 1.00 52.44 H new ATOM 0 HB2 ALA B 3 11.663 -16.836 32.839 1.00 52.44 H new ATOM 0 HB3 ALA B 3 11.897 -15.162 33.394 1.00 52.44 H new ATOM 1920 N PRO B 4 10.443 -13.752 30.105 1.00 1.21 N ATOM 1921 CA PRO B 4 9.945 -12.423 29.781 1.00 11.23 C ATOM 1922 C PRO B 4 9.111 -11.840 30.924 1.00 63.33 C ATOM 1923 O PRO B 4 7.971 -12.263 31.166 1.00 21.03 O ATOM 1924 CB PRO B 4 9.073 -12.650 28.539 1.00 53.12 C ATOM 1925 CG PRO B 4 8.628 -14.064 28.647 1.00 71.31 C ATOM 1926 CD PRO B 4 9.726 -14.807 29.359 1.00 41.22 C ATOM 0 HA PRO B 4 10.753 -11.711 29.613 1.00 11.23 H new ATOM 0 HB2 PRO B 4 8.223 -11.967 28.521 1.00 53.12 H new ATOM 0 HB3 PRO B 4 9.637 -12.481 27.622 1.00 53.12 H new ATOM 0 HG2 PRO B 4 7.691 -14.134 29.200 1.00 71.31 H new ATOM 0 HG3 PRO B 4 8.449 -14.490 27.660 1.00 71.31 H new ATOM 0 HD2 PRO B 4 9.325 -15.567 30.029 1.00 41.22 H new ATOM 0 HD3 PRO B 4 10.384 -15.317 28.656 1.00 41.22 H new ATOM 1934 N CYS B 5 9.688 -10.919 31.645 1.00 2.45 N ATOM 1935 CA CYS B 5 9.011 -10.288 32.747 1.00 50.25 C ATOM 1936 C CYS B 5 8.075 -9.208 32.211 1.00 63.44 C ATOM 1937 O CYS B 5 8.352 -8.588 31.170 1.00 41.04 O ATOM 1938 CB CYS B 5 10.036 -9.693 33.727 1.00 14.13 C ATOM 1939 SG CYS B 5 9.321 -8.917 35.197 1.00 44.41 S ATOM 0 H CYS B 5 10.638 -10.584 31.487 1.00 2.45 H new ATOM 0 HA CYS B 5 8.421 -11.028 33.288 1.00 50.25 H new ATOM 0 HB2 CYS B 5 10.715 -10.484 34.045 1.00 14.13 H new ATOM 0 HB3 CYS B 5 10.636 -8.952 33.198 1.00 14.13 H new ATOM 0 HG CYS B 5 10.274 -8.454 35.950 1.00 44.41 H new ATOM 1945 N MET B 6 6.975 -9.009 32.889 1.00 61.41 N ATOM 1946 CA MET B 6 5.984 -8.025 32.504 1.00 14.43 C ATOM 1947 C MET B 6 5.287 -7.506 33.750 1.00 12.14 C ATOM 1948 O MET B 6 4.965 -8.290 34.651 1.00 63.24 O ATOM 1949 CB MET B 6 4.961 -8.649 31.517 1.00 4.23 C ATOM 1950 CG MET B 6 4.243 -9.888 32.058 1.00 65.24 C ATOM 1951 SD MET B 6 3.121 -10.662 30.871 1.00 23.23 S ATOM 1952 CE MET B 6 2.509 -12.039 31.852 1.00 61.43 C ATOM 0 H MET B 6 6.735 -9.528 33.733 1.00 61.41 H new ATOM 0 HA MET B 6 6.472 -7.193 31.997 1.00 14.43 H new ATOM 0 HB2 MET B 6 4.217 -7.896 31.258 1.00 4.23 H new ATOM 0 HB3 MET B 6 5.478 -8.916 30.596 1.00 4.23 H new ATOM 0 HG2 MET B 6 4.988 -10.620 32.370 1.00 65.24 H new ATOM 0 HG3 MET B 6 3.679 -9.609 32.948 1.00 65.24 H new ATOM 0 HE1 MET B 6 1.801 -12.620 31.261 1.00 61.43 H new ATOM 0 HE2 MET B 6 3.344 -12.675 32.147 1.00 61.43 H new ATOM 0 HE3 MET B 6 2.011 -11.658 32.743 1.00 61.43 H new ATOM 1962 N GLN B 7 5.102 -6.197 33.827 1.00 23.21 N ATOM 1963 CA GLN B 7 4.414 -5.582 34.961 1.00 54.02 C ATOM 1964 C GLN B 7 2.971 -6.052 34.981 1.00 42.45 C ATOM 1965 O GLN B 7 2.511 -6.679 35.934 1.00 10.03 O ATOM 1966 CB GLN B 7 4.445 -4.032 34.888 1.00 22.22 C ATOM 1967 CG GLN B 7 5.833 -3.362 34.962 1.00 44.03 C ATOM 1968 CD GLN B 7 6.750 -3.700 33.796 1.00 22.34 C ATOM 1969 OE1 GLN B 7 6.293 -3.971 32.683 1.00 12.20 O ATOM 1970 NE2 GLN B 7 8.032 -3.676 34.033 1.00 34.12 N ATOM 0 H GLN B 7 5.418 -5.535 33.118 1.00 23.21 H new ATOM 0 HA GLN B 7 4.932 -5.884 35.872 1.00 54.02 H new ATOM 0 HB2 GLN B 7 3.969 -3.726 33.957 1.00 22.22 H new ATOM 0 HB3 GLN B 7 3.835 -3.641 35.702 1.00 22.22 H new ATOM 0 HG2 GLN B 7 5.701 -2.281 35.004 1.00 44.03 H new ATOM 0 HG3 GLN B 7 6.319 -3.660 35.891 1.00 44.03 H new ATOM 0 HE21 GLN B 7 8.374 -3.448 34.966 1.00 34.12 H new ATOM 0 HE22 GLN B 7 8.693 -3.886 33.285 1.00 34.12 H new ATOM 1979 N THR B 8 2.274 -5.760 33.919 1.00 13.53 N ATOM 1980 CA THR B 8 0.928 -6.179 33.764 1.00 73.23 C ATOM 1981 C THR B 8 0.634 -6.399 32.288 1.00 52.22 C ATOM 1982 O THR B 8 0.865 -5.518 31.452 1.00 71.51 O ATOM 1983 CB THR B 8 -0.085 -5.162 34.394 1.00 72.03 C ATOM 1984 OG1 THR B 8 -1.428 -5.622 34.206 1.00 2.44 O ATOM 1985 CG2 THR B 8 0.063 -3.757 33.806 1.00 44.42 C ATOM 0 H THR B 8 2.637 -5.219 33.134 1.00 13.53 H new ATOM 0 HA THR B 8 0.799 -7.118 34.303 1.00 73.23 H new ATOM 0 HB THR B 8 0.141 -5.102 35.459 1.00 72.03 H new ATOM 0 HG1 THR B 8 -2.052 -4.980 34.605 1.00 2.44 H new ATOM 0 HG21 THR B 8 -0.660 -3.089 34.274 1.00 44.42 H new ATOM 0 HG22 THR B 8 1.072 -3.389 33.993 1.00 44.42 H new ATOM 0 HG23 THR B 8 -0.117 -3.791 32.732 1.00 44.42 H new ATOM 1993 N THR B 9 0.217 -7.586 31.950 1.00 61.10 N ATOM 1994 CA THR B 9 -0.164 -7.885 30.600 1.00 64.52 C ATOM 1995 C THR B 9 -1.239 -8.964 30.570 1.00 21.15 C ATOM 1996 O THR B 9 -0.949 -10.170 30.566 1.00 0.23 O ATOM 1997 CB THR B 9 1.047 -8.286 29.707 1.00 73.15 C ATOM 1998 OG1 THR B 9 2.033 -7.236 29.738 1.00 3.44 O ATOM 1999 CG2 THR B 9 0.609 -8.501 28.258 1.00 24.41 C ATOM 0 H THR B 9 0.132 -8.369 32.598 1.00 61.10 H new ATOM 0 HA THR B 9 -0.573 -6.967 30.178 1.00 64.52 H new ATOM 0 HB THR B 9 1.464 -9.215 30.095 1.00 73.15 H new ATOM 0 HG1 THR B 9 1.619 -6.408 30.060 1.00 3.44 H new ATOM 0 HG21 THR B 9 1.473 -8.780 27.654 1.00 24.41 H new ATOM 0 HG22 THR B 9 -0.135 -9.297 28.217 1.00 24.41 H new ATOM 0 HG23 THR B 9 0.177 -7.580 27.868 1.00 24.41 H new ATOM 2007 N HIS B 10 -2.463 -8.525 30.653 1.00 2.34 N ATOM 2008 CA HIS B 10 -3.614 -9.381 30.525 1.00 42.12 C ATOM 2009 C HIS B 10 -4.761 -8.581 29.944 1.00 35.24 C ATOM 2010 O HIS B 10 -5.509 -7.906 30.654 1.00 55.42 O ATOM 2011 CB HIS B 10 -3.998 -10.123 31.851 1.00 24.22 C ATOM 2012 CG HIS B 10 -4.333 -9.259 33.039 1.00 65.23 C ATOM 2013 ND1 HIS B 10 -5.623 -8.946 33.399 1.00 15.04 N ATOM 2014 CD2 HIS B 10 -3.540 -8.671 33.959 1.00 14.13 C ATOM 2015 CE1 HIS B 10 -5.610 -8.204 34.483 1.00 40.54 C ATOM 2016 NE2 HIS B 10 -4.360 -8.027 34.843 1.00 63.05 N ATOM 0 H HIS B 10 -2.696 -7.545 30.814 1.00 2.34 H new ATOM 0 HA HIS B 10 -3.361 -10.189 29.839 1.00 42.12 H new ATOM 0 HB2 HIS B 10 -4.854 -10.765 31.645 1.00 24.22 H new ATOM 0 HB3 HIS B 10 -3.170 -10.775 32.128 1.00 24.22 H new ATOM 0 HD2 HIS B 10 -2.461 -8.703 33.991 1.00 14.13 H new ATOM 0 HE1 HIS B 10 -6.477 -7.808 34.990 1.00 40.54 H new ATOM 0 HE2 HIS B 10 -4.050 -7.493 35.655 1.00 63.05 H new ATOM 2025 N SER B 11 -4.842 -8.596 28.660 1.00 1.42 N ATOM 2026 CA SER B 11 -5.822 -7.847 27.946 1.00 32.42 C ATOM 2027 C SER B 11 -6.435 -8.750 26.905 1.00 11.34 C ATOM 2028 O SER B 11 -5.795 -9.724 26.459 1.00 12.03 O ATOM 2029 CB SER B 11 -5.149 -6.615 27.290 1.00 75.01 C ATOM 2030 OG SER B 11 -6.084 -5.779 26.619 1.00 53.40 O ATOM 0 H SER B 11 -4.218 -9.139 28.063 1.00 1.42 H new ATOM 0 HA SER B 11 -6.604 -7.487 28.615 1.00 32.42 H new ATOM 0 HB2 SER B 11 -4.632 -6.036 28.056 1.00 75.01 H new ATOM 0 HB3 SER B 11 -4.393 -6.952 26.581 1.00 75.01 H new ATOM 0 HG SER B 11 -5.615 -5.015 26.223 1.00 53.40 H new ATOM 2036 N LYS B 12 -7.657 -8.469 26.544 1.00 12.54 N ATOM 2037 CA LYS B 12 -8.347 -9.225 25.546 1.00 51.14 C ATOM 2038 C LYS B 12 -7.717 -8.910 24.182 1.00 21.10 C ATOM 2039 O LYS B 12 -6.972 -7.932 24.051 1.00 34.13 O ATOM 2040 CB LYS B 12 -9.842 -8.887 25.612 1.00 75.21 C ATOM 2041 CG LYS B 12 -10.739 -9.721 24.711 1.00 43.50 C ATOM 2042 CD LYS B 12 -12.213 -9.404 24.939 1.00 22.31 C ATOM 2043 CE LYS B 12 -12.635 -9.737 26.362 1.00 52.30 C ATOM 2044 NZ LYS B 12 -14.054 -9.432 26.602 1.00 4.42 N ATOM 0 H LYS B 12 -8.202 -7.703 26.939 1.00 12.54 H new ATOM 0 HA LYS B 12 -8.255 -10.298 25.712 1.00 51.14 H new ATOM 0 HB2 LYS B 12 -10.179 -9.005 26.642 1.00 75.21 H new ATOM 0 HB3 LYS B 12 -9.971 -7.836 25.353 1.00 75.21 H new ATOM 0 HG2 LYS B 12 -10.483 -9.534 23.668 1.00 43.50 H new ATOM 0 HG3 LYS B 12 -10.561 -10.780 24.898 1.00 43.50 H new ATOM 0 HD2 LYS B 12 -12.395 -8.348 24.741 1.00 22.31 H new ATOM 0 HD3 LYS B 12 -12.822 -9.970 24.235 1.00 22.31 H new ATOM 0 HE2 LYS B 12 -12.454 -10.794 26.556 1.00 52.30 H new ATOM 0 HE3 LYS B 12 -12.020 -9.174 27.064 1.00 52.30 H new ATOM 0 HZ1 LYS B 12 -14.300 -9.674 27.583 1.00 4.42 H new ATOM 0 HZ2 LYS B 12 -14.223 -8.418 26.442 1.00 4.42 H new ATOM 0 HZ3 LYS B 12 -14.644 -9.988 25.950 1.00 4.42 H new ATOM 2058 N MET B 13 -7.982 -9.728 23.193 1.00 3.24 N ATOM 2059 CA MET B 13 -7.347 -9.585 21.894 1.00 44.34 C ATOM 2060 C MET B 13 -7.835 -8.330 21.153 1.00 32.13 C ATOM 2061 O MET B 13 -8.825 -8.349 20.418 1.00 42.52 O ATOM 2062 CB MET B 13 -7.534 -10.870 21.081 1.00 54.10 C ATOM 2063 CG MET B 13 -6.818 -10.934 19.749 1.00 14.32 C ATOM 2064 SD MET B 13 -7.020 -12.563 18.991 1.00 11.33 S ATOM 2065 CE MET B 13 -6.084 -12.373 17.486 1.00 62.21 C ATOM 0 H MET B 13 -8.637 -10.507 23.258 1.00 3.24 H new ATOM 0 HA MET B 13 -6.277 -9.438 22.039 1.00 44.34 H new ATOM 0 HB2 MET B 13 -7.200 -11.711 21.689 1.00 54.10 H new ATOM 0 HB3 MET B 13 -8.600 -11.009 20.903 1.00 54.10 H new ATOM 0 HG2 MET B 13 -7.211 -10.166 19.082 1.00 14.32 H new ATOM 0 HG3 MET B 13 -5.758 -10.722 19.890 1.00 14.32 H new ATOM 0 HE1 MET B 13 -6.075 -13.317 16.941 1.00 62.21 H new ATOM 0 HE2 MET B 13 -6.542 -11.601 16.867 1.00 62.21 H new ATOM 0 HE3 MET B 13 -5.061 -12.084 17.728 1.00 62.21 H new ATOM 2075 N THR B 14 -7.176 -7.227 21.438 1.00 74.23 N ATOM 2076 CA THR B 14 -7.458 -5.949 20.840 1.00 21.33 C ATOM 2077 C THR B 14 -6.144 -5.138 20.740 1.00 61.40 C ATOM 2078 O THR B 14 -5.563 -5.024 19.656 1.00 70.40 O ATOM 2079 CB THR B 14 -8.507 -5.166 21.687 1.00 63.21 C ATOM 2080 OG1 THR B 14 -9.680 -5.975 21.863 1.00 74.22 O ATOM 2081 CG2 THR B 14 -8.901 -3.860 21.006 1.00 12.14 C ATOM 0 H THR B 14 -6.410 -7.199 22.111 1.00 74.23 H new ATOM 0 HA THR B 14 -7.873 -6.103 19.844 1.00 21.33 H new ATOM 0 HB THR B 14 -8.059 -4.933 22.653 1.00 63.21 H new ATOM 0 HG1 THR B 14 -10.339 -5.484 22.397 1.00 74.22 H new ATOM 0 HG21 THR B 14 -9.634 -3.336 21.620 1.00 12.14 H new ATOM 0 HG22 THR B 14 -8.018 -3.234 20.881 1.00 12.14 H new ATOM 0 HG23 THR B 14 -9.334 -4.075 20.029 1.00 12.14 H new ATOM 2089 N ALA B 15 -5.683 -4.599 21.892 1.00 5.33 N ATOM 2090 CA ALA B 15 -4.409 -3.831 22.028 1.00 10.52 C ATOM 2091 C ALA B 15 -4.401 -2.461 21.300 1.00 55.14 C ATOM 2092 O ALA B 15 -3.717 -1.521 21.737 1.00 44.13 O ATOM 2093 CB ALA B 15 -3.211 -4.679 21.628 1.00 12.44 C ATOM 0 H ALA B 15 -6.190 -4.683 22.773 1.00 5.33 H new ATOM 0 HA ALA B 15 -4.331 -3.588 23.088 1.00 10.52 H new ATOM 0 HB1 ALA B 15 -2.298 -4.094 21.737 1.00 12.44 H new ATOM 0 HB2 ALA B 15 -3.157 -5.558 22.270 1.00 12.44 H new ATOM 0 HB3 ALA B 15 -3.318 -4.994 20.590 1.00 12.44 H new ATOM 2099 N GLY B 16 -5.121 -2.365 20.210 1.00 1.33 N ATOM 2100 CA GLY B 16 -5.208 -1.140 19.462 1.00 3.45 C ATOM 2101 C GLY B 16 -5.340 -1.428 17.995 1.00 31.14 C ATOM 2102 O GLY B 16 -6.441 -1.649 17.494 1.00 13.23 O ATOM 0 H GLY B 16 -5.663 -3.135 19.818 1.00 1.33 H new ATOM 0 HA2 GLY B 16 -6.065 -0.559 19.803 1.00 3.45 H new ATOM 0 HA3 GLY B 16 -4.320 -0.534 19.641 1.00 3.45 H new ATOM 2106 N ALA B 17 -4.227 -1.445 17.305 1.00 64.43 N ATOM 2107 CA ALA B 17 -4.221 -1.768 15.902 1.00 3.40 C ATOM 2108 C ALA B 17 -4.191 -3.277 15.734 1.00 20.30 C ATOM 2109 O ALA B 17 -3.163 -3.915 15.945 1.00 73.42 O ATOM 2110 CB ALA B 17 -3.037 -1.117 15.194 1.00 23.24 C ATOM 0 H ALA B 17 -3.308 -1.237 17.696 1.00 64.43 H new ATOM 0 HA ALA B 17 -5.129 -1.375 15.444 1.00 3.40 H new ATOM 0 HB1 ALA B 17 -3.058 -1.378 14.136 1.00 23.24 H new ATOM 0 HB2 ALA B 17 -3.099 -0.034 15.302 1.00 23.24 H new ATOM 0 HB3 ALA B 17 -2.107 -1.473 15.638 1.00 23.24 H new ATOM 2116 N TYR B 18 -5.331 -3.844 15.432 1.00 62.33 N ATOM 2117 CA TYR B 18 -5.434 -5.281 15.225 1.00 44.30 C ATOM 2118 C TYR B 18 -6.315 -5.573 14.025 1.00 1.10 C ATOM 2119 O TYR B 18 -6.495 -6.729 13.635 1.00 2.22 O ATOM 2120 CB TYR B 18 -6.046 -5.965 16.475 1.00 1.24 C ATOM 2121 CG TYR B 18 -7.512 -5.609 16.733 1.00 31.02 C ATOM 2122 CD1 TYR B 18 -7.875 -4.385 17.274 1.00 0.32 C ATOM 2123 CD2 TYR B 18 -8.527 -6.504 16.417 1.00 60.32 C ATOM 2124 CE1 TYR B 18 -9.200 -4.063 17.495 1.00 24.12 C ATOM 2125 CE2 TYR B 18 -9.850 -6.186 16.633 1.00 65.31 C ATOM 2126 CZ TYR B 18 -10.182 -4.966 17.170 1.00 14.14 C ATOM 2127 OH TYR B 18 -11.512 -4.647 17.385 1.00 44.21 O ATOM 0 H TYR B 18 -6.209 -3.337 15.322 1.00 62.33 H new ATOM 0 HA TYR B 18 -4.432 -5.673 15.051 1.00 44.30 H new ATOM 0 HB2 TYR B 18 -5.961 -7.046 16.361 1.00 1.24 H new ATOM 0 HB3 TYR B 18 -5.458 -5.689 17.350 1.00 1.24 H new ATOM 0 HD1 TYR B 18 -7.107 -3.669 17.528 1.00 0.32 H new ATOM 0 HD2 TYR B 18 -8.274 -7.465 15.995 1.00 60.32 H new ATOM 0 HE1 TYR B 18 -9.462 -3.106 17.921 1.00 24.12 H new ATOM 0 HE2 TYR B 18 -10.625 -6.895 16.381 1.00 65.31 H new ATOM 0 HH TYR B 18 -12.078 -5.395 17.100 1.00 44.21 H new ATOM 2137 N THR B 19 -6.901 -4.535 13.465 1.00 2.31 N ATOM 2138 CA THR B 19 -7.821 -4.703 12.391 1.00 63.22 C ATOM 2139 C THR B 19 -7.168 -5.027 11.032 1.00 14.43 C ATOM 2140 O THR B 19 -6.949 -4.149 10.169 1.00 4.35 O ATOM 2141 CB THR B 19 -8.807 -3.534 12.302 1.00 32.44 C ATOM 2142 OG1 THR B 19 -9.480 -3.401 13.564 1.00 3.03 O ATOM 2143 CG2 THR B 19 -9.842 -3.789 11.231 1.00 70.42 C ATOM 0 H THR B 19 -6.747 -3.567 13.747 1.00 2.31 H new ATOM 0 HA THR B 19 -8.390 -5.599 12.638 1.00 63.22 H new ATOM 0 HB THR B 19 -8.256 -2.627 12.056 1.00 32.44 H new ATOM 0 HG1 THR B 19 -9.576 -2.451 13.785 1.00 3.03 H new ATOM 0 HG21 THR B 19 -10.532 -2.947 11.184 1.00 70.42 H new ATOM 0 HG22 THR B 19 -9.347 -3.906 10.267 1.00 70.42 H new ATOM 0 HG23 THR B 19 -10.394 -4.698 11.468 1.00 70.42 H new ATOM 2151 N GLU B 20 -6.873 -6.280 10.874 1.00 31.30 N ATOM 2152 CA GLU B 20 -6.323 -6.850 9.688 1.00 12.34 C ATOM 2153 C GLU B 20 -7.172 -8.098 9.484 1.00 4.22 C ATOM 2154 O GLU B 20 -7.354 -8.876 10.425 1.00 60.44 O ATOM 2155 CB GLU B 20 -4.842 -7.184 9.930 1.00 74.01 C ATOM 2156 CG GLU B 20 -4.036 -7.522 8.690 1.00 1.23 C ATOM 2157 CD GLU B 20 -2.571 -7.756 9.023 1.00 62.31 C ATOM 2158 OE1 GLU B 20 -1.874 -6.783 9.351 1.00 21.40 O ATOM 2159 OE2 GLU B 20 -2.122 -8.920 8.976 1.00 2.44 O ATOM 0 H GLU B 20 -7.019 -6.969 11.612 1.00 31.30 H new ATOM 0 HA GLU B 20 -6.344 -6.199 8.814 1.00 12.34 H new ATOM 0 HB2 GLU B 20 -4.373 -6.335 10.426 1.00 74.01 H new ATOM 0 HB3 GLU B 20 -4.786 -8.027 10.619 1.00 74.01 H new ATOM 0 HG2 GLU B 20 -4.450 -8.413 8.218 1.00 1.23 H new ATOM 0 HG3 GLU B 20 -4.121 -6.710 7.968 1.00 1.23 H new ATOM 2166 N GLY B 21 -7.746 -8.258 8.311 1.00 12.32 N ATOM 2167 CA GLY B 21 -8.752 -9.297 8.123 1.00 4.03 C ATOM 2168 C GLY B 21 -8.215 -10.681 7.750 1.00 32.32 C ATOM 2169 O GLY B 21 -8.153 -11.570 8.610 1.00 63.14 O ATOM 0 H GLY B 21 -7.543 -7.697 7.484 1.00 12.32 H new ATOM 0 HA2 GLY B 21 -9.330 -9.388 9.042 1.00 4.03 H new ATOM 0 HA3 GLY B 21 -9.441 -8.973 7.343 1.00 4.03 H new ATOM 2173 N PRO B 22 -7.868 -10.885 6.456 1.00 44.52 N ATOM 2174 CA PRO B 22 -7.387 -12.169 5.896 1.00 32.05 C ATOM 2175 C PRO B 22 -6.417 -12.945 6.814 1.00 74.11 C ATOM 2176 O PRO B 22 -6.659 -14.129 7.086 1.00 53.01 O ATOM 2177 CB PRO B 22 -6.762 -11.791 4.533 1.00 15.34 C ATOM 2178 CG PRO B 22 -6.883 -10.295 4.453 1.00 63.25 C ATOM 2179 CD PRO B 22 -7.951 -9.895 5.430 1.00 64.45 C ATOM 0 HA PRO B 22 -8.209 -12.877 5.790 1.00 32.05 H new ATOM 0 HB2 PRO B 22 -5.720 -12.107 4.475 1.00 15.34 H new ATOM 0 HB3 PRO B 22 -7.288 -12.274 3.710 1.00 15.34 H new ATOM 0 HG2 PRO B 22 -5.935 -9.816 4.699 1.00 63.25 H new ATOM 0 HG3 PRO B 22 -7.146 -9.982 3.443 1.00 63.25 H new ATOM 0 HD2 PRO B 22 -7.776 -8.894 5.825 1.00 64.45 H new ATOM 0 HD3 PRO B 22 -8.936 -9.885 4.963 1.00 64.45 H new ATOM 2187 N PRO B 23 -5.304 -12.342 7.300 1.00 24.33 N ATOM 2188 CA PRO B 23 -4.513 -12.967 8.294 1.00 51.41 C ATOM 2189 C PRO B 23 -4.989 -12.481 9.670 1.00 14.13 C ATOM 2190 O PRO B 23 -5.018 -11.274 9.939 1.00 51.23 O ATOM 2191 CB PRO B 23 -3.086 -12.463 7.977 1.00 64.30 C ATOM 2192 CG PRO B 23 -3.255 -11.233 7.144 1.00 60.01 C ATOM 2193 CD PRO B 23 -4.721 -11.047 6.912 1.00 3.43 C ATOM 0 HA PRO B 23 -4.567 -14.056 8.305 1.00 51.41 H new ATOM 0 HB2 PRO B 23 -2.539 -12.241 8.893 1.00 64.30 H new ATOM 0 HB3 PRO B 23 -2.515 -13.221 7.441 1.00 64.30 H new ATOM 0 HG2 PRO B 23 -2.834 -10.365 7.651 1.00 60.01 H new ATOM 0 HG3 PRO B 23 -2.727 -11.336 6.196 1.00 60.01 H new ATOM 0 HD2 PRO B 23 -5.121 -10.231 7.514 1.00 3.43 H new ATOM 0 HD3 PRO B 23 -4.934 -10.808 5.870 1.00 3.43 H new ATOM 2201 N GLN B 24 -5.376 -13.397 10.527 1.00 12.21 N ATOM 2202 CA GLN B 24 -5.850 -13.010 11.843 1.00 61.11 C ATOM 2203 C GLN B 24 -4.706 -12.468 12.661 1.00 2.24 C ATOM 2204 O GLN B 24 -3.618 -13.058 12.632 1.00 2.41 O ATOM 2205 CB GLN B 24 -6.570 -14.159 12.544 1.00 2.54 C ATOM 2206 CG GLN B 24 -7.928 -14.487 11.933 1.00 21.34 C ATOM 2207 CD GLN B 24 -8.947 -13.363 12.128 1.00 55.42 C ATOM 2208 OE1 GLN B 24 -9.669 -13.336 13.127 1.00 51.04 O ATOM 2209 NE2 GLN B 24 -9.011 -12.439 11.204 1.00 72.14 N ATOM 0 H GLN B 24 -5.374 -14.401 10.345 1.00 12.21 H new ATOM 0 HA GLN B 24 -6.588 -12.216 11.728 1.00 61.11 H new ATOM 0 HB2 GLN B 24 -5.940 -15.048 12.509 1.00 2.54 H new ATOM 0 HB3 GLN B 24 -6.705 -13.906 13.595 1.00 2.54 H new ATOM 0 HG2 GLN B 24 -7.806 -14.681 10.867 1.00 21.34 H new ATOM 0 HG3 GLN B 24 -8.313 -15.403 12.382 1.00 21.34 H new ATOM 0 HE21 GLN B 24 -8.400 -12.490 10.389 1.00 72.14 H new ATOM 0 HE22 GLN B 24 -9.672 -11.668 11.299 1.00 72.14 H new ATOM 2218 N PRO B 25 -4.951 -11.314 13.387 1.00 4.13 N ATOM 2219 CA PRO B 25 -3.946 -10.562 14.156 1.00 4.13 C ATOM 2220 C PRO B 25 -2.828 -11.414 14.675 1.00 75.13 C ATOM 2221 O PRO B 25 -3.000 -12.222 15.616 1.00 21.52 O ATOM 2222 CB PRO B 25 -4.749 -9.963 15.283 1.00 13.14 C ATOM 2223 CG PRO B 25 -6.102 -9.725 14.688 1.00 64.24 C ATOM 2224 CD PRO B 25 -6.264 -10.671 13.510 1.00 73.42 C ATOM 0 HA PRO B 25 -3.438 -9.823 13.537 1.00 4.13 H new ATOM 0 HB2 PRO B 25 -4.803 -10.639 16.136 1.00 13.14 H new ATOM 0 HB3 PRO B 25 -4.303 -9.035 15.640 1.00 13.14 H new ATOM 0 HG2 PRO B 25 -6.882 -9.901 15.429 1.00 64.24 H new ATOM 0 HG3 PRO B 25 -6.199 -8.689 14.362 1.00 64.24 H new ATOM 0 HD2 PRO B 25 -7.051 -11.403 13.691 1.00 73.42 H new ATOM 0 HD3 PRO B 25 -6.532 -10.133 12.600 1.00 73.42 H new ATOM 2232 N LEU B 26 -1.720 -11.278 14.002 1.00 53.53 N ATOM 2233 CA LEU B 26 -0.523 -12.028 14.258 1.00 32.21 C ATOM 2234 C LEU B 26 -0.032 -11.996 15.718 1.00 24.24 C ATOM 2235 O LEU B 26 -0.313 -11.059 16.485 1.00 42.53 O ATOM 2236 CB LEU B 26 0.610 -11.767 13.195 1.00 1.02 C ATOM 2237 CG LEU B 26 1.147 -10.310 12.938 1.00 64.34 C ATOM 2238 CD1 LEU B 26 0.106 -9.369 12.361 1.00 61.01 C ATOM 2239 CD2 LEU B 26 1.751 -9.716 14.171 1.00 30.21 C ATOM 0 H LEU B 26 -1.622 -10.617 13.231 1.00 53.53 H new ATOM 0 HA LEU B 26 -0.822 -13.067 14.119 1.00 32.21 H new ATOM 0 HB2 LEU B 26 1.466 -12.379 13.481 1.00 1.02 H new ATOM 0 HB3 LEU B 26 0.249 -12.149 12.240 1.00 1.02 H new ATOM 0 HG LEU B 26 1.924 -10.424 12.182 1.00 64.34 H new ATOM 0 HD11 LEU B 26 0.549 -8.384 12.211 1.00 61.01 H new ATOM 0 HD12 LEU B 26 -0.246 -9.758 11.406 1.00 61.01 H new ATOM 0 HD13 LEU B 26 -0.734 -9.288 13.051 1.00 61.01 H new ATOM 0 HD21 LEU B 26 2.110 -8.710 13.952 1.00 30.21 H new ATOM 0 HD22 LEU B 26 0.999 -9.670 14.959 1.00 30.21 H new ATOM 0 HD23 LEU B 26 2.585 -10.335 14.502 1.00 30.21 H new ATOM 2251 N SER B 27 0.663 -13.047 16.069 1.00 24.00 N ATOM 2252 CA SER B 27 1.193 -13.306 17.391 1.00 23.41 C ATOM 2253 C SER B 27 2.187 -12.224 17.876 1.00 44.34 C ATOM 2254 O SER B 27 2.705 -11.449 17.079 1.00 13.43 O ATOM 2255 CB SER B 27 1.896 -14.626 17.300 1.00 4.30 C ATOM 2256 OG SER B 27 1.041 -15.604 16.714 1.00 1.40 O ATOM 0 H SER B 27 0.889 -13.789 15.406 1.00 24.00 H new ATOM 0 HA SER B 27 0.377 -13.303 18.114 1.00 23.41 H new ATOM 0 HB2 SER B 27 2.803 -14.522 16.704 1.00 4.30 H new ATOM 0 HB3 SER B 27 2.203 -14.951 18.294 1.00 4.30 H new ATOM 0 HG SER B 27 1.529 -16.090 16.017 1.00 1.40 H new ATOM 2262 N ALA B 28 2.452 -12.215 19.193 1.00 44.30 N ATOM 2263 CA ALA B 28 3.367 -11.245 19.820 1.00 50.25 C ATOM 2264 C ALA B 28 4.753 -11.249 19.173 1.00 71.33 C ATOM 2265 O ALA B 28 5.290 -10.199 18.852 1.00 73.44 O ATOM 2266 CB ALA B 28 3.491 -11.506 21.320 1.00 55.12 C ATOM 0 H ALA B 28 2.040 -12.877 19.851 1.00 44.30 H new ATOM 0 HA ALA B 28 2.932 -10.258 19.662 1.00 50.25 H new ATOM 0 HB1 ALA B 28 4.171 -10.778 21.761 1.00 55.12 H new ATOM 0 HB2 ALA B 28 2.510 -11.416 21.787 1.00 55.12 H new ATOM 0 HB3 ALA B 28 3.880 -12.511 21.484 1.00 55.12 H new ATOM 2272 N GLU B 29 5.316 -12.424 18.955 1.00 22.01 N ATOM 2273 CA GLU B 29 6.640 -12.517 18.342 1.00 22.20 C ATOM 2274 C GLU B 29 6.601 -12.199 16.887 1.00 33.35 C ATOM 2275 O GLU B 29 7.562 -11.665 16.328 1.00 71.14 O ATOM 2276 CB GLU B 29 7.296 -13.839 18.598 1.00 25.30 C ATOM 2277 CG GLU B 29 7.554 -14.055 20.052 1.00 3.22 C ATOM 2278 CD GLU B 29 8.498 -15.182 20.285 1.00 72.35 C ATOM 2279 OE1 GLU B 29 9.683 -15.052 19.965 1.00 22.53 O ATOM 2280 OE2 GLU B 29 8.092 -16.189 20.816 1.00 62.10 O ATOM 0 H GLU B 29 4.888 -13.320 19.188 1.00 22.01 H new ATOM 0 HA GLU B 29 7.258 -11.760 18.825 1.00 22.20 H new ATOM 0 HB2 GLU B 29 6.661 -14.640 18.218 1.00 25.30 H new ATOM 0 HB3 GLU B 29 8.237 -13.891 18.050 1.00 25.30 H new ATOM 0 HG2 GLU B 29 7.962 -13.143 20.488 1.00 3.22 H new ATOM 0 HG3 GLU B 29 6.612 -14.258 20.562 1.00 3.22 H new ATOM 2287 N GLU B 30 5.490 -12.512 16.279 1.00 50.24 N ATOM 2288 CA GLU B 30 5.239 -12.146 14.918 1.00 31.15 C ATOM 2289 C GLU B 30 5.268 -10.641 14.761 1.00 22.45 C ATOM 2290 O GLU B 30 5.722 -10.133 13.743 1.00 53.12 O ATOM 2291 CB GLU B 30 3.918 -12.742 14.403 1.00 41.03 C ATOM 2292 CG GLU B 30 4.017 -14.150 13.821 1.00 31.21 C ATOM 2293 CD GLU B 30 4.559 -15.193 14.761 1.00 70.21 C ATOM 2294 OE1 GLU B 30 5.750 -15.225 14.992 1.00 54.12 O ATOM 2295 OE2 GLU B 30 3.790 -16.013 15.254 1.00 75.43 O ATOM 0 H GLU B 30 4.731 -13.031 16.719 1.00 50.24 H new ATOM 0 HA GLU B 30 6.035 -12.567 14.304 1.00 31.15 H new ATOM 0 HB2 GLU B 30 3.201 -12.756 15.224 1.00 41.03 H new ATOM 0 HB3 GLU B 30 3.514 -12.079 13.638 1.00 41.03 H new ATOM 0 HG2 GLU B 30 3.026 -14.461 13.491 1.00 31.21 H new ATOM 0 HG3 GLU B 30 4.652 -14.116 12.935 1.00 31.21 H new ATOM 2302 N LYS B 31 4.817 -9.926 15.797 1.00 53.40 N ATOM 2303 CA LYS B 31 4.784 -8.479 15.754 1.00 31.53 C ATOM 2304 C LYS B 31 6.193 -7.945 15.787 1.00 55.13 C ATOM 2305 O LYS B 31 6.560 -7.149 14.933 1.00 61.34 O ATOM 2306 CB LYS B 31 4.018 -7.888 16.945 1.00 14.44 C ATOM 2307 CG LYS B 31 2.577 -8.320 17.085 1.00 5.20 C ATOM 2308 CD LYS B 31 1.926 -7.658 18.282 1.00 32.13 C ATOM 2309 CE LYS B 31 0.485 -8.107 18.457 1.00 41.50 C ATOM 2310 NZ LYS B 31 -0.151 -7.431 19.608 1.00 12.03 N ATOM 0 H LYS B 31 4.474 -10.333 16.667 1.00 53.40 H new ATOM 0 HA LYS B 31 4.275 -8.190 14.835 1.00 31.53 H new ATOM 0 HB2 LYS B 31 4.547 -8.154 17.860 1.00 14.44 H new ATOM 0 HB3 LYS B 31 4.045 -6.801 16.866 1.00 14.44 H new ATOM 0 HG2 LYS B 31 2.027 -8.064 16.179 1.00 5.20 H new ATOM 0 HG3 LYS B 31 2.527 -9.404 17.192 1.00 5.20 H new ATOM 0 HD2 LYS B 31 2.493 -7.895 19.182 1.00 32.13 H new ATOM 0 HD3 LYS B 31 1.958 -6.575 18.161 1.00 32.13 H new ATOM 0 HE2 LYS B 31 -0.078 -7.892 17.549 1.00 41.50 H new ATOM 0 HE3 LYS B 31 0.453 -9.187 18.603 1.00 41.50 H new ATOM 0 HZ1 LYS B 31 -1.134 -7.757 19.703 1.00 12.03 H new ATOM 0 HZ2 LYS B 31 0.374 -7.657 20.477 1.00 12.03 H new ATOM 0 HZ3 LYS B 31 -0.141 -6.402 19.455 1.00 12.03 H new ATOM 2324 N LYS B 32 7.007 -8.400 16.776 1.00 70.34 N ATOM 2325 CA LYS B 32 8.387 -7.951 16.883 1.00 30.32 C ATOM 2326 C LYS B 32 9.183 -8.140 15.612 1.00 4.24 C ATOM 2327 O LYS B 32 9.874 -7.235 15.169 1.00 12.31 O ATOM 2328 CB LYS B 32 9.173 -8.668 17.984 1.00 54.05 C ATOM 2329 CG LYS B 32 8.928 -8.231 19.396 1.00 63.45 C ATOM 2330 CD LYS B 32 7.665 -8.723 19.977 1.00 34.14 C ATOM 2331 CE LYS B 32 7.644 -8.392 21.424 1.00 61.20 C ATOM 2332 NZ LYS B 32 8.410 -9.301 22.303 1.00 60.43 N ATOM 0 H LYS B 32 6.721 -9.067 17.492 1.00 70.34 H new ATOM 0 HA LYS B 32 8.279 -6.891 17.113 1.00 30.32 H new ATOM 0 HB2 LYS B 32 8.953 -9.733 17.917 1.00 54.05 H new ATOM 0 HB3 LYS B 32 10.236 -8.548 17.773 1.00 54.05 H new ATOM 0 HG2 LYS B 32 9.756 -8.571 20.017 1.00 63.45 H new ATOM 0 HG3 LYS B 32 8.930 -7.142 19.432 1.00 63.45 H new ATOM 0 HD2 LYS B 32 6.814 -8.265 19.473 1.00 34.14 H new ATOM 0 HD3 LYS B 32 7.578 -9.800 19.835 1.00 34.14 H new ATOM 0 HE2 LYS B 32 8.032 -7.381 21.552 1.00 61.20 H new ATOM 0 HE3 LYS B 32 6.607 -8.381 21.760 1.00 61.20 H new ATOM 0 HZ1 LYS B 32 8.301 -9.000 23.293 1.00 60.43 H new ATOM 0 HZ2 LYS B 32 8.052 -10.272 22.195 1.00 60.43 H new ATOM 0 HZ3 LYS B 32 9.416 -9.271 22.041 1.00 60.43 H new ATOM 2346 N GLU B 33 9.082 -9.318 15.031 1.00 42.42 N ATOM 2347 CA GLU B 33 9.881 -9.653 13.872 1.00 75.33 C ATOM 2348 C GLU B 33 9.545 -8.799 12.673 1.00 42.12 C ATOM 2349 O GLU B 33 10.439 -8.279 12.015 1.00 52.53 O ATOM 2350 CB GLU B 33 9.785 -11.138 13.545 1.00 32.44 C ATOM 2351 CG GLU B 33 10.308 -12.036 14.652 1.00 22.23 C ATOM 2352 CD GLU B 33 11.761 -11.772 14.981 1.00 72.10 C ATOM 2353 OE1 GLU B 33 12.048 -10.885 15.815 1.00 44.24 O ATOM 2354 OE2 GLU B 33 12.636 -12.457 14.426 1.00 55.14 O ATOM 0 H GLU B 33 8.454 -10.059 15.343 1.00 42.42 H new ATOM 0 HA GLU B 33 10.917 -9.433 14.129 1.00 75.33 H new ATOM 0 HB2 GLU B 33 8.744 -11.391 13.344 1.00 32.44 H new ATOM 0 HB3 GLU B 33 10.344 -11.338 12.631 1.00 32.44 H new ATOM 0 HG2 GLU B 33 9.705 -11.890 15.548 1.00 22.23 H new ATOM 0 HG3 GLU B 33 10.191 -13.078 14.355 1.00 22.23 H new ATOM 2361 N ILE B 34 8.266 -8.608 12.426 1.00 62.31 N ATOM 2362 CA ILE B 34 7.825 -7.834 11.268 1.00 4.21 C ATOM 2363 C ILE B 34 8.140 -6.356 11.454 1.00 31.01 C ATOM 2364 O ILE B 34 8.476 -5.646 10.496 1.00 3.33 O ATOM 2365 CB ILE B 34 6.344 -8.051 10.871 1.00 64.30 C ATOM 2366 CG1 ILE B 34 5.395 -7.603 11.995 1.00 62.34 C ATOM 2367 CG2 ILE B 34 6.102 -9.508 10.481 1.00 73.14 C ATOM 2368 CD1 ILE B 34 3.933 -7.828 11.697 1.00 23.12 C ATOM 0 H ILE B 34 7.510 -8.974 13.005 1.00 62.31 H new ATOM 0 HA ILE B 34 8.398 -8.219 10.425 1.00 4.21 H new ATOM 0 HB ILE B 34 6.129 -7.430 10.001 1.00 64.30 H new ATOM 0 HG12 ILE B 34 5.654 -8.138 12.909 1.00 62.34 H new ATOM 0 HG13 ILE B 34 5.556 -6.543 12.190 1.00 62.34 H new ATOM 0 HG21 ILE B 34 5.056 -9.642 10.205 1.00 73.14 H new ATOM 0 HG22 ILE B 34 6.737 -9.768 9.634 1.00 73.14 H new ATOM 0 HG23 ILE B 34 6.340 -10.155 11.325 1.00 73.14 H new ATOM 0 HD11 ILE B 34 3.333 -7.485 12.540 1.00 23.12 H new ATOM 0 HD12 ILE B 34 3.654 -7.271 10.803 1.00 23.12 H new ATOM 0 HD13 ILE B 34 3.754 -8.891 11.533 1.00 23.12 H new ATOM 2380 N ASP B 35 8.068 -5.928 12.706 1.00 50.34 N ATOM 2381 CA ASP B 35 8.275 -4.547 13.137 1.00 32.34 C ATOM 2382 C ASP B 35 9.640 -4.033 12.708 1.00 1.51 C ATOM 2383 O ASP B 35 9.798 -2.890 12.286 1.00 41.54 O ATOM 2384 CB ASP B 35 8.197 -4.538 14.667 1.00 43.33 C ATOM 2385 CG ASP B 35 8.388 -3.202 15.266 1.00 32.40 C ATOM 2386 OD1 ASP B 35 7.601 -2.370 14.994 1.00 32.15 O ATOM 2387 OD2 ASP B 35 9.299 -3.004 16.073 1.00 40.33 O ATOM 0 H ASP B 35 7.856 -6.555 13.482 1.00 50.34 H new ATOM 0 HA ASP B 35 7.520 -3.903 12.686 1.00 32.34 H new ATOM 0 HB2 ASP B 35 7.227 -4.928 14.974 1.00 43.33 H new ATOM 0 HB3 ASP B 35 8.953 -5.215 15.064 1.00 43.33 H new ATOM 2392 N LYS B 36 10.601 -4.909 12.791 1.00 4.42 N ATOM 2393 CA LYS B 36 11.993 -4.609 12.504 1.00 2.31 C ATOM 2394 C LYS B 36 12.267 -4.503 11.003 1.00 0.32 C ATOM 2395 O LYS B 36 13.200 -3.831 10.582 1.00 20.10 O ATOM 2396 CB LYS B 36 12.840 -5.760 13.027 1.00 60.40 C ATOM 2397 CG LYS B 36 12.689 -6.057 14.492 1.00 2.13 C ATOM 2398 CD LYS B 36 13.373 -7.365 14.823 1.00 72.12 C ATOM 2399 CE LYS B 36 13.260 -7.699 16.289 1.00 63.32 C ATOM 2400 NZ LYS B 36 13.804 -9.042 16.578 1.00 43.11 N ATOM 0 H LYS B 36 10.444 -5.879 13.066 1.00 4.42 H new ATOM 0 HA LYS B 36 12.231 -3.655 12.974 1.00 2.31 H new ATOM 0 HB2 LYS B 36 12.589 -6.659 12.464 1.00 60.40 H new ATOM 0 HB3 LYS B 36 13.888 -5.539 12.824 1.00 60.40 H new ATOM 0 HG2 LYS B 36 13.122 -5.250 15.083 1.00 2.13 H new ATOM 0 HG3 LYS B 36 11.632 -6.112 14.754 1.00 2.13 H new ATOM 0 HD2 LYS B 36 12.930 -8.167 14.232 1.00 72.12 H new ATOM 0 HD3 LYS B 36 14.425 -7.306 14.543 1.00 72.12 H new ATOM 0 HE2 LYS B 36 13.796 -6.953 16.876 1.00 63.32 H new ATOM 0 HE3 LYS B 36 12.215 -7.654 16.595 1.00 63.32 H new ATOM 0 HZ1 LYS B 36 13.712 -9.243 17.594 1.00 43.11 H new ATOM 0 HZ2 LYS B 36 13.276 -9.755 16.035 1.00 43.11 H new ATOM 0 HZ3 LYS B 36 14.808 -9.075 16.308 1.00 43.11 H new ATOM 2414 N ARG B 37 11.464 -5.151 10.209 1.00 70.22 N ATOM 2415 CA ARG B 37 11.784 -5.321 8.806 1.00 62.40 C ATOM 2416 C ARG B 37 10.754 -4.685 7.843 1.00 11.43 C ATOM 2417 O ARG B 37 10.641 -5.090 6.684 1.00 73.52 O ATOM 2418 CB ARG B 37 12.015 -6.822 8.553 1.00 41.14 C ATOM 2419 CG ARG B 37 10.892 -7.690 9.069 1.00 10.44 C ATOM 2420 CD ARG B 37 11.199 -9.161 9.007 1.00 72.14 C ATOM 2421 NE ARG B 37 10.016 -9.963 9.380 1.00 71.15 N ATOM 2422 CZ ARG B 37 10.037 -11.184 9.931 1.00 11.13 C ATOM 2423 NH1 ARG B 37 11.189 -11.783 10.210 1.00 72.33 N ATOM 2424 NH2 ARG B 37 8.890 -11.807 10.204 1.00 22.13 N ATOM 0 H ARG B 37 10.582 -5.573 10.501 1.00 70.22 H new ATOM 0 HA ARG B 37 12.696 -4.768 8.581 1.00 62.40 H new ATOM 0 HB2 ARG B 37 12.133 -6.990 7.483 1.00 41.14 H new ATOM 0 HB3 ARG B 37 12.948 -7.125 9.028 1.00 41.14 H new ATOM 0 HG2 ARG B 37 10.674 -7.415 10.101 1.00 10.44 H new ATOM 0 HG3 ARG B 37 9.991 -7.489 8.489 1.00 10.44 H new ATOM 0 HD2 ARG B 37 11.521 -9.427 8.000 1.00 72.14 H new ATOM 0 HD3 ARG B 37 12.026 -9.392 9.678 1.00 72.14 H new ATOM 0 HE ARG B 37 9.101 -9.550 9.202 1.00 71.15 H new ATOM 0 HH11 ARG B 37 12.071 -11.313 10.005 1.00 72.33 H new ATOM 0 HH12 ARG B 37 11.192 -12.713 10.629 1.00 72.33 H new ATOM 0 HH21 ARG B 37 8.001 -11.354 9.993 1.00 22.13 H new ATOM 0 HH22 ARG B 37 8.902 -12.737 10.623 1.00 22.13 H new ATOM 2438 N SER B 38 10.050 -3.671 8.314 1.00 42.30 N ATOM 2439 CA SER B 38 9.116 -2.923 7.471 1.00 72.24 C ATOM 2440 C SER B 38 9.774 -1.631 6.909 1.00 4.51 C ATOM 2441 O SER B 38 10.630 -1.029 7.561 1.00 43.45 O ATOM 2442 CB SER B 38 7.890 -2.563 8.302 1.00 3.33 C ATOM 2443 OG SER B 38 7.295 -3.729 8.851 1.00 65.10 O ATOM 0 H SER B 38 10.103 -3.341 9.278 1.00 42.30 H new ATOM 0 HA SER B 38 8.829 -3.544 6.622 1.00 72.24 H new ATOM 0 HB2 SER B 38 8.175 -1.882 9.104 1.00 3.33 H new ATOM 0 HB3 SER B 38 7.165 -2.037 7.681 1.00 3.33 H new ATOM 0 HG SER B 38 7.914 -4.143 9.488 1.00 65.10 H new ATOM 2449 N VAL B 39 9.362 -1.216 5.701 1.00 1.11 N ATOM 2450 CA VAL B 39 9.892 0.002 5.057 1.00 72.01 C ATOM 2451 C VAL B 39 8.795 0.783 4.352 1.00 4.15 C ATOM 2452 O VAL B 39 7.697 0.271 4.120 1.00 63.41 O ATOM 2453 CB VAL B 39 11.058 -0.237 4.033 1.00 23.52 C ATOM 2454 CG1 VAL B 39 12.246 -0.916 4.665 1.00 60.41 C ATOM 2455 CG2 VAL B 39 10.590 -0.986 2.795 1.00 71.15 C ATOM 0 H VAL B 39 8.661 -1.707 5.146 1.00 1.11 H new ATOM 0 HA VAL B 39 10.306 0.570 5.890 1.00 72.01 H new ATOM 0 HB VAL B 39 11.386 0.752 3.711 1.00 23.52 H new ATOM 0 HG11 VAL B 39 13.025 -1.059 3.916 1.00 60.41 H new ATOM 0 HG12 VAL B 39 12.631 -0.296 5.475 1.00 60.41 H new ATOM 0 HG13 VAL B 39 11.943 -1.885 5.062 1.00 60.41 H new ATOM 0 HG21 VAL B 39 11.431 -1.128 2.116 1.00 71.15 H new ATOM 0 HG22 VAL B 39 10.191 -1.958 3.087 1.00 71.15 H new ATOM 0 HG23 VAL B 39 9.812 -0.410 2.294 1.00 71.15 H new ATOM 2465 N TYR B 40 9.114 2.000 4.023 1.00 53.44 N ATOM 2466 CA TYR B 40 8.268 2.929 3.321 1.00 10.33 C ATOM 2467 C TYR B 40 8.883 3.218 1.963 1.00 63.30 C ATOM 2468 O TYR B 40 10.073 3.447 1.876 1.00 31.30 O ATOM 2469 CB TYR B 40 8.174 4.244 4.134 1.00 31.43 C ATOM 2470 CG TYR B 40 7.785 5.467 3.316 1.00 54.31 C ATOM 2471 CD1 TYR B 40 6.468 5.763 3.022 1.00 5.33 C ATOM 2472 CD2 TYR B 40 8.777 6.318 2.826 1.00 52.10 C ATOM 2473 CE1 TYR B 40 6.147 6.873 2.265 1.00 51.25 C ATOM 2474 CE2 TYR B 40 8.478 7.412 2.074 1.00 72.00 C ATOM 2475 CZ TYR B 40 7.168 7.698 1.788 1.00 35.22 C ATOM 2476 OH TYR B 40 6.872 8.803 1.008 1.00 24.31 O ATOM 0 H TYR B 40 10.026 2.397 4.250 1.00 53.44 H new ATOM 0 HA TYR B 40 7.271 2.508 3.194 1.00 10.33 H new ATOM 0 HB2 TYR B 40 7.445 4.111 4.933 1.00 31.43 H new ATOM 0 HB3 TYR B 40 9.137 4.432 4.609 1.00 31.43 H new ATOM 0 HD1 TYR B 40 5.681 5.120 3.388 1.00 5.33 H new ATOM 0 HD2 TYR B 40 9.811 6.102 3.050 1.00 52.10 H new ATOM 0 HE1 TYR B 40 5.115 7.101 2.044 1.00 51.25 H new ATOM 0 HE2 TYR B 40 9.267 8.050 1.705 1.00 72.00 H new ATOM 0 HH TYR B 40 7.702 9.264 0.765 1.00 24.31 H new ATOM 2486 N VAL B 41 8.083 3.152 0.935 1.00 75.11 N ATOM 2487 CA VAL B 41 8.459 3.498 -0.427 1.00 65.43 C ATOM 2488 C VAL B 41 7.562 4.643 -0.891 1.00 5.51 C ATOM 2489 O VAL B 41 6.357 4.492 -0.946 1.00 52.31 O ATOM 2490 CB VAL B 41 8.193 2.300 -1.371 1.00 33.22 C ATOM 2491 CG1 VAL B 41 8.616 2.612 -2.804 1.00 43.14 C ATOM 2492 CG2 VAL B 41 8.875 1.051 -0.871 1.00 0.20 C ATOM 0 H VAL B 41 7.113 2.846 1.015 1.00 75.11 H new ATOM 0 HA VAL B 41 9.514 3.769 -0.450 1.00 65.43 H new ATOM 0 HB VAL B 41 7.118 2.121 -1.374 1.00 33.22 H new ATOM 0 HG11 VAL B 41 8.415 1.749 -3.439 1.00 43.14 H new ATOM 0 HG12 VAL B 41 8.054 3.471 -3.170 1.00 43.14 H new ATOM 0 HG13 VAL B 41 9.682 2.839 -2.827 1.00 43.14 H new ATOM 0 HG21 VAL B 41 8.670 0.226 -1.554 1.00 0.20 H new ATOM 0 HG22 VAL B 41 9.951 1.220 -0.818 1.00 0.20 H new ATOM 0 HG23 VAL B 41 8.498 0.803 0.121 1.00 0.20 H new ATOM 2502 N GLY B 42 8.118 5.767 -1.205 1.00 72.43 N ATOM 2503 CA GLY B 42 7.290 6.871 -1.635 1.00 55.41 C ATOM 2504 C GLY B 42 7.519 7.267 -3.074 1.00 31.30 C ATOM 2505 O GLY B 42 8.443 6.779 -3.704 1.00 30.31 O ATOM 0 H GLY B 42 9.120 5.954 -1.177 1.00 72.43 H new ATOM 0 HA2 GLY B 42 6.242 6.603 -1.502 1.00 55.41 H new ATOM 0 HA3 GLY B 42 7.483 7.731 -0.994 1.00 55.41 H new ATOM 2509 N ASN B 43 6.666 8.177 -3.556 1.00 5.20 N ATOM 2510 CA ASN B 43 6.692 8.774 -4.929 1.00 23.24 C ATOM 2511 C ASN B 43 6.443 7.751 -6.090 1.00 22.40 C ATOM 2512 O ASN B 43 6.564 8.099 -7.268 1.00 44.15 O ATOM 2513 CB ASN B 43 7.993 9.597 -5.141 1.00 14.32 C ATOM 2514 CG ASN B 43 7.989 10.475 -6.401 1.00 33.24 C ATOM 2515 OD1 ASN B 43 6.936 10.929 -6.869 1.00 24.14 O ATOM 2516 ND2 ASN B 43 9.155 10.746 -6.933 1.00 72.15 N ATOM 0 H ASN B 43 5.901 8.544 -2.990 1.00 5.20 H new ATOM 0 HA ASN B 43 5.837 9.449 -4.980 1.00 23.24 H new ATOM 0 HB2 ASN B 43 8.152 10.233 -4.270 1.00 14.32 H new ATOM 0 HB3 ASN B 43 8.838 8.911 -5.194 1.00 14.32 H new ATOM 0 HD21 ASN B 43 9.213 11.346 -7.756 1.00 72.15 H new ATOM 0 HD22 ASN B 43 10.005 10.357 -6.524 1.00 72.15 H new ATOM 2523 N VAL B 44 6.066 6.519 -5.752 1.00 0.10 N ATOM 2524 CA VAL B 44 5.714 5.516 -6.779 1.00 34.12 C ATOM 2525 C VAL B 44 4.515 6.003 -7.585 1.00 74.40 C ATOM 2526 O VAL B 44 3.484 6.391 -7.036 1.00 64.34 O ATOM 2527 CB VAL B 44 5.488 4.074 -6.188 1.00 31.31 C ATOM 2528 CG1 VAL B 44 4.395 4.041 -5.142 1.00 54.11 C ATOM 2529 CG2 VAL B 44 5.200 3.069 -7.293 1.00 20.14 C ATOM 0 H VAL B 44 5.994 6.186 -4.791 1.00 0.10 H new ATOM 0 HA VAL B 44 6.569 5.414 -7.448 1.00 34.12 H new ATOM 0 HB VAL B 44 6.417 3.792 -5.692 1.00 31.31 H new ATOM 0 HG11 VAL B 44 4.280 3.024 -4.768 1.00 54.11 H new ATOM 0 HG12 VAL B 44 4.660 4.703 -4.318 1.00 54.11 H new ATOM 0 HG13 VAL B 44 3.456 4.372 -5.586 1.00 54.11 H new ATOM 0 HG21 VAL B 44 5.048 2.082 -6.856 1.00 20.14 H new ATOM 0 HG22 VAL B 44 4.302 3.369 -7.833 1.00 20.14 H new ATOM 0 HG23 VAL B 44 6.043 3.035 -7.983 1.00 20.14 H new ATOM 2539 N ASP B 45 4.678 6.020 -8.876 1.00 33.54 N ATOM 2540 CA ASP B 45 3.675 6.548 -9.763 1.00 20.00 C ATOM 2541 C ASP B 45 2.580 5.539 -10.020 1.00 20.31 C ATOM 2542 O ASP B 45 2.793 4.318 -9.889 1.00 24.51 O ATOM 2543 CB ASP B 45 4.331 7.009 -11.069 1.00 25.44 C ATOM 2544 CG ASP B 45 3.351 7.444 -12.135 1.00 43.44 C ATOM 2545 OD1 ASP B 45 2.463 8.278 -11.854 1.00 13.40 O ATOM 2546 OD2 ASP B 45 3.466 6.961 -13.278 1.00 31.42 O ATOM 0 H ASP B 45 5.511 5.668 -9.347 1.00 33.54 H new ATOM 0 HA ASP B 45 3.206 7.409 -9.287 1.00 20.00 H new ATOM 0 HB2 ASP B 45 5.005 7.837 -10.851 1.00 25.44 H new ATOM 0 HB3 ASP B 45 4.942 6.196 -11.462 1.00 25.44 H new ATOM 2551 N TYR B 46 1.418 6.044 -10.399 1.00 24.31 N ATOM 2552 CA TYR B 46 0.279 5.217 -10.680 1.00 55.22 C ATOM 2553 C TYR B 46 0.539 4.578 -12.035 1.00 13.55 C ATOM 2554 O TYR B 46 0.194 5.130 -13.087 1.00 22.01 O ATOM 2555 CB TYR B 46 -1.005 6.048 -10.716 1.00 14.14 C ATOM 2556 CG TYR B 46 -2.287 5.262 -10.508 1.00 44.24 C ATOM 2557 CD1 TYR B 46 -2.868 4.478 -11.511 1.00 13.12 C ATOM 2558 CD2 TYR B 46 -2.919 5.321 -9.283 1.00 75.05 C ATOM 2559 CE1 TYR B 46 -4.044 3.783 -11.270 1.00 0.43 C ATOM 2560 CE2 TYR B 46 -4.080 4.639 -9.033 1.00 10.02 C ATOM 2561 CZ TYR B 46 -4.645 3.868 -10.028 1.00 3.11 C ATOM 2562 OH TYR B 46 -5.806 3.171 -9.783 1.00 15.31 O ATOM 0 H TYR B 46 1.248 7.043 -10.518 1.00 24.31 H new ATOM 0 HA TYR B 46 0.144 4.463 -9.905 1.00 55.22 H new ATOM 0 HB2 TYR B 46 -0.942 6.820 -9.949 1.00 14.14 H new ATOM 0 HB3 TYR B 46 -1.062 6.559 -11.677 1.00 14.14 H new ATOM 0 HD1 TYR B 46 -2.397 4.414 -12.481 1.00 13.12 H new ATOM 0 HD2 TYR B 46 -2.485 5.923 -8.498 1.00 75.05 H new ATOM 0 HE1 TYR B 46 -4.487 3.179 -12.048 1.00 0.43 H new ATOM 0 HE2 TYR B 46 -4.550 4.704 -8.063 1.00 10.02 H new ATOM 0 HH TYR B 46 -6.099 3.337 -8.863 1.00 15.31 H new ATOM 2572 N GLY B 47 1.222 3.486 -11.996 1.00 4.52 N ATOM 2573 CA GLY B 47 1.653 2.816 -13.170 1.00 25.31 C ATOM 2574 C GLY B 47 2.479 1.636 -12.800 1.00 50.43 C ATOM 2575 O GLY B 47 2.530 0.645 -13.539 1.00 65.00 O ATOM 0 H GLY B 47 1.501 3.026 -11.129 1.00 4.52 H new ATOM 0 HA2 GLY B 47 0.791 2.499 -13.756 1.00 25.31 H new ATOM 0 HA3 GLY B 47 2.232 3.495 -13.796 1.00 25.31 H new ATOM 2579 N SER B 48 3.133 1.708 -11.642 1.00 15.25 N ATOM 2580 CA SER B 48 3.836 0.570 -11.164 1.00 61.23 C ATOM 2581 C SER B 48 2.817 -0.300 -10.427 1.00 30.30 C ATOM 2582 O SER B 48 1.835 0.219 -9.867 1.00 65.21 O ATOM 2583 CB SER B 48 4.980 0.994 -10.245 1.00 25.43 C ATOM 2584 OG SER B 48 5.769 -0.113 -9.862 1.00 54.43 O ATOM 0 H SER B 48 3.178 2.534 -11.045 1.00 15.25 H new ATOM 0 HA SER B 48 4.288 0.011 -11.983 1.00 61.23 H new ATOM 0 HB2 SER B 48 5.604 1.729 -10.753 1.00 25.43 H new ATOM 0 HB3 SER B 48 4.575 1.479 -9.357 1.00 25.43 H new ATOM 0 HG SER B 48 6.273 -0.439 -10.637 1.00 54.43 H new ATOM 2590 N THR B 49 3.005 -1.582 -10.460 1.00 53.33 N ATOM 2591 CA THR B 49 2.086 -2.483 -9.839 1.00 44.13 C ATOM 2592 C THR B 49 2.729 -3.145 -8.649 1.00 64.14 C ATOM 2593 O THR B 49 3.905 -2.912 -8.369 1.00 52.25 O ATOM 2594 CB THR B 49 1.611 -3.555 -10.827 1.00 41.03 C ATOM 2595 OG1 THR B 49 2.747 -4.244 -11.380 1.00 71.32 O ATOM 2596 CG2 THR B 49 0.787 -2.936 -11.943 1.00 35.34 C ATOM 0 H THR B 49 3.798 -2.033 -10.917 1.00 53.33 H new ATOM 0 HA THR B 49 1.222 -1.905 -9.511 1.00 44.13 H new ATOM 0 HB THR B 49 0.982 -4.265 -10.290 1.00 41.03 H new ATOM 0 HG1 THR B 49 2.439 -4.929 -12.009 1.00 71.32 H new ATOM 0 HG21 THR B 49 0.462 -3.716 -12.631 1.00 35.34 H new ATOM 0 HG22 THR B 49 -0.086 -2.439 -11.519 1.00 35.34 H new ATOM 0 HG23 THR B 49 1.393 -2.207 -12.481 1.00 35.34 H new ATOM 2604 N ALA B 50 1.979 -3.978 -7.952 1.00 2.12 N ATOM 2605 CA ALA B 50 2.486 -4.685 -6.808 1.00 73.33 C ATOM 2606 C ALA B 50 3.622 -5.604 -7.221 1.00 25.21 C ATOM 2607 O ALA B 50 4.666 -5.621 -6.595 1.00 23.24 O ATOM 2608 CB ALA B 50 1.358 -5.479 -6.191 1.00 10.45 C ATOM 0 H ALA B 50 1.003 -4.178 -8.169 1.00 2.12 H new ATOM 0 HA ALA B 50 2.875 -3.977 -6.077 1.00 73.33 H new ATOM 0 HB1 ALA B 50 1.728 -6.021 -5.321 1.00 10.45 H new ATOM 0 HB2 ALA B 50 0.561 -4.801 -5.884 1.00 10.45 H new ATOM 0 HB3 ALA B 50 0.970 -6.188 -6.922 1.00 10.45 H new ATOM 2614 N GLN B 51 3.402 -6.366 -8.284 1.00 63.41 N ATOM 2615 CA GLN B 51 4.423 -7.259 -8.824 1.00 52.12 C ATOM 2616 C GLN B 51 5.686 -6.472 -9.191 1.00 44.34 C ATOM 2617 O GLN B 51 6.801 -6.886 -8.867 1.00 22.03 O ATOM 2618 CB GLN B 51 3.844 -8.032 -10.060 1.00 30.22 C ATOM 2619 CG GLN B 51 4.783 -9.081 -10.687 1.00 72.34 C ATOM 2620 CD GLN B 51 5.947 -8.491 -11.483 1.00 41.34 C ATOM 2621 OE1 GLN B 51 5.815 -7.453 -12.119 1.00 42.41 O ATOM 2622 NE2 GLN B 51 7.093 -9.087 -11.369 1.00 53.31 N ATOM 0 H GLN B 51 2.519 -6.384 -8.794 1.00 63.41 H new ATOM 0 HA GLN B 51 4.705 -7.989 -8.065 1.00 52.12 H new ATOM 0 HB2 GLN B 51 2.923 -8.530 -9.756 1.00 30.22 H new ATOM 0 HB3 GLN B 51 3.575 -7.306 -10.827 1.00 30.22 H new ATOM 0 HG2 GLN B 51 5.184 -9.712 -9.894 1.00 72.34 H new ATOM 0 HG3 GLN B 51 4.200 -9.726 -11.344 1.00 72.34 H new ATOM 0 HE21 GLN B 51 7.167 -9.951 -10.831 1.00 53.31 H new ATOM 0 HE22 GLN B 51 7.920 -8.692 -11.817 1.00 53.31 H new ATOM 2631 N ASP B 52 5.485 -5.337 -9.827 1.00 62.11 N ATOM 2632 CA ASP B 52 6.571 -4.480 -10.304 1.00 43.45 C ATOM 2633 C ASP B 52 7.437 -4.022 -9.112 1.00 31.42 C ATOM 2634 O ASP B 52 8.682 -3.984 -9.183 1.00 44.43 O ATOM 2635 CB ASP B 52 5.947 -3.283 -11.012 1.00 63.45 C ATOM 2636 CG ASP B 52 6.845 -2.605 -11.989 1.00 52.11 C ATOM 2637 OD1 ASP B 52 7.466 -3.297 -12.823 1.00 63.02 O ATOM 2638 OD2 ASP B 52 6.877 -1.366 -12.006 1.00 44.51 O ATOM 0 H ASP B 52 4.555 -4.972 -10.034 1.00 62.11 H new ATOM 0 HA ASP B 52 7.215 -5.022 -10.996 1.00 43.45 H new ATOM 0 HB2 ASP B 52 5.048 -3.613 -11.533 1.00 63.45 H new ATOM 0 HB3 ASP B 52 5.633 -2.557 -10.262 1.00 63.45 H new ATOM 2643 N LEU B 53 6.765 -3.710 -8.019 1.00 35.55 N ATOM 2644 CA LEU B 53 7.406 -3.317 -6.775 1.00 22.33 C ATOM 2645 C LEU B 53 8.069 -4.486 -6.076 1.00 30.23 C ATOM 2646 O LEU B 53 9.226 -4.380 -5.641 1.00 73.32 O ATOM 2647 CB LEU B 53 6.365 -2.703 -5.843 1.00 45.03 C ATOM 2648 CG LEU B 53 5.899 -1.309 -6.201 1.00 11.24 C ATOM 2649 CD1 LEU B 53 4.646 -0.972 -5.426 1.00 54.52 C ATOM 2650 CD2 LEU B 53 6.996 -0.323 -5.843 1.00 34.01 C ATOM 0 H LEU B 53 5.746 -3.722 -7.968 1.00 35.55 H new ATOM 0 HA LEU B 53 8.182 -2.592 -7.020 1.00 22.33 H new ATOM 0 HB2 LEU B 53 5.496 -3.360 -5.817 1.00 45.03 H new ATOM 0 HB3 LEU B 53 6.777 -2.680 -4.834 1.00 45.03 H new ATOM 0 HG LEU B 53 5.681 -1.256 -7.268 1.00 11.24 H new ATOM 0 HD11 LEU B 53 4.315 0.033 -5.688 1.00 54.52 H new ATOM 0 HD12 LEU B 53 3.862 -1.688 -5.673 1.00 54.52 H new ATOM 0 HD13 LEU B 53 4.856 -1.018 -4.357 1.00 54.52 H new ATOM 0 HD21 LEU B 53 6.674 0.687 -6.096 1.00 34.01 H new ATOM 0 HD22 LEU B 53 7.203 -0.381 -4.774 1.00 34.01 H new ATOM 0 HD23 LEU B 53 7.900 -0.566 -6.401 1.00 34.01 H new ATOM 2662 N GLU B 54 7.348 -5.593 -5.963 1.00 21.22 N ATOM 2663 CA GLU B 54 7.822 -6.786 -5.287 1.00 2.23 C ATOM 2664 C GLU B 54 9.089 -7.310 -5.945 1.00 44.12 C ATOM 2665 O GLU B 54 10.064 -7.538 -5.272 1.00 11.11 O ATOM 2666 CB GLU B 54 6.656 -7.804 -5.304 1.00 24.35 C ATOM 2667 CG GLU B 54 6.769 -9.063 -4.426 1.00 72.35 C ATOM 2668 CD GLU B 54 7.674 -10.141 -4.959 1.00 4.33 C ATOM 2669 OE1 GLU B 54 7.219 -10.932 -5.821 1.00 14.53 O ATOM 2670 OE2 GLU B 54 8.791 -10.280 -4.490 1.00 30.22 O ATOM 0 H GLU B 54 6.406 -5.686 -6.344 1.00 21.22 H new ATOM 0 HA GLU B 54 8.102 -6.582 -4.254 1.00 2.23 H new ATOM 0 HB2 GLU B 54 5.749 -7.275 -5.010 1.00 24.35 H new ATOM 0 HB3 GLU B 54 6.515 -8.130 -6.335 1.00 24.35 H new ATOM 0 HG2 GLU B 54 7.126 -8.767 -3.440 1.00 72.35 H new ATOM 0 HG3 GLU B 54 5.772 -9.482 -4.291 1.00 72.35 H new ATOM 2677 N ALA B 55 9.083 -7.438 -7.255 1.00 42.02 N ATOM 2678 CA ALA B 55 10.280 -7.861 -7.979 1.00 20.03 C ATOM 2679 C ALA B 55 11.452 -6.897 -7.715 1.00 33.31 C ATOM 2680 O ALA B 55 12.597 -7.326 -7.434 1.00 62.20 O ATOM 2681 CB ALA B 55 9.993 -7.953 -9.471 1.00 24.35 C ATOM 0 H ALA B 55 8.271 -7.258 -7.845 1.00 42.02 H new ATOM 0 HA ALA B 55 10.565 -8.849 -7.617 1.00 20.03 H new ATOM 0 HB1 ALA B 55 10.894 -8.269 -9.996 1.00 24.35 H new ATOM 0 HB2 ALA B 55 9.198 -8.679 -9.645 1.00 24.35 H new ATOM 0 HB3 ALA B 55 9.680 -6.977 -9.842 1.00 24.35 H new ATOM 2687 N HIS B 56 11.146 -5.606 -7.731 1.00 44.42 N ATOM 2688 CA HIS B 56 12.170 -4.574 -7.578 1.00 52.42 C ATOM 2689 C HIS B 56 12.816 -4.662 -6.196 1.00 5.32 C ATOM 2690 O HIS B 56 14.025 -4.527 -6.055 1.00 70.12 O ATOM 2691 CB HIS B 56 11.567 -3.183 -7.803 1.00 62.31 C ATOM 2692 CG HIS B 56 12.574 -2.070 -7.898 1.00 42.14 C ATOM 2693 ND1 HIS B 56 13.006 -1.559 -9.096 1.00 62.42 N ATOM 2694 CD2 HIS B 56 13.209 -1.351 -6.939 1.00 30.51 C ATOM 2695 CE1 HIS B 56 13.856 -0.583 -8.876 1.00 13.21 C ATOM 2696 NE2 HIS B 56 13.997 -0.433 -7.579 1.00 65.21 N ATOM 0 H HIS B 56 10.199 -5.246 -7.848 1.00 44.42 H new ATOM 0 HA HIS B 56 12.942 -4.740 -8.329 1.00 52.42 H new ATOM 0 HB2 HIS B 56 10.978 -3.201 -8.720 1.00 62.31 H new ATOM 0 HB3 HIS B 56 10.879 -2.964 -6.987 1.00 62.31 H new ATOM 0 HD2 HIS B 56 13.111 -1.479 -5.871 1.00 30.51 H new ATOM 0 HE1 HIS B 56 14.356 -0.000 -9.635 1.00 13.21 H new ATOM 0 HE2 HIS B 56 14.596 0.255 -7.123 1.00 65.21 H new ATOM 2705 N PHE B 57 12.006 -4.886 -5.192 1.00 44.32 N ATOM 2706 CA PHE B 57 12.484 -5.025 -3.839 1.00 21.50 C ATOM 2707 C PHE B 57 13.007 -6.397 -3.520 1.00 52.11 C ATOM 2708 O PHE B 57 13.775 -6.571 -2.583 1.00 11.22 O ATOM 2709 CB PHE B 57 11.542 -4.469 -2.798 1.00 11.14 C ATOM 2710 CG PHE B 57 11.607 -2.980 -2.737 1.00 3.11 C ATOM 2711 CD1 PHE B 57 12.638 -2.377 -2.068 1.00 0.12 C ATOM 2712 CD2 PHE B 57 10.666 -2.185 -3.348 1.00 73.21 C ATOM 2713 CE1 PHE B 57 12.729 -1.015 -2.006 1.00 73.21 C ATOM 2714 CE2 PHE B 57 10.755 -0.823 -3.288 1.00 51.33 C ATOM 2715 CZ PHE B 57 11.782 -0.243 -2.620 1.00 41.31 C ATOM 0 H PHE B 57 10.995 -4.977 -5.290 1.00 44.32 H new ATOM 0 HA PHE B 57 13.360 -4.378 -3.786 1.00 21.50 H new ATOM 0 HB2 PHE B 57 10.523 -4.780 -3.026 1.00 11.14 H new ATOM 0 HB3 PHE B 57 11.791 -4.885 -1.822 1.00 11.14 H new ATOM 0 HD1 PHE B 57 13.388 -2.985 -1.584 1.00 0.12 H new ATOM 0 HD2 PHE B 57 9.846 -2.643 -3.882 1.00 73.21 H new ATOM 0 HE1 PHE B 57 13.546 -0.550 -1.474 1.00 73.21 H new ATOM 0 HE2 PHE B 57 10.009 -0.210 -3.772 1.00 51.33 H new ATOM 0 HZ PHE B 57 11.853 0.834 -2.573 1.00 41.31 H new ATOM 2725 N SER B 58 12.593 -7.373 -4.306 1.00 71.23 N ATOM 2726 CA SER B 58 13.012 -8.745 -4.120 1.00 22.40 C ATOM 2727 C SER B 58 14.499 -8.839 -4.410 1.00 31.51 C ATOM 2728 O SER B 58 15.189 -9.748 -3.935 1.00 72.25 O ATOM 2729 CB SER B 58 12.222 -9.713 -5.022 1.00 23.13 C ATOM 2730 OG SER B 58 12.591 -11.073 -4.767 1.00 60.35 O ATOM 0 H SER B 58 11.957 -7.235 -5.091 1.00 71.23 H new ATOM 0 HA SER B 58 12.810 -9.039 -3.090 1.00 22.40 H new ATOM 0 HB2 SER B 58 11.153 -9.585 -4.850 1.00 23.13 H new ATOM 0 HB3 SER B 58 12.408 -9.473 -6.069 1.00 23.13 H new ATOM 0 HG SER B 58 12.075 -11.667 -5.351 1.00 60.35 H new ATOM 2736 N SER B 59 14.995 -7.902 -5.208 1.00 42.03 N ATOM 2737 CA SER B 59 16.407 -7.780 -5.447 1.00 61.42 C ATOM 2738 C SER B 59 17.158 -7.543 -4.108 1.00 15.41 C ATOM 2739 O SER B 59 18.291 -7.986 -3.926 1.00 31.10 O ATOM 2740 CB SER B 59 16.627 -6.596 -6.373 1.00 54.12 C ATOM 2741 OG SER B 59 15.796 -6.709 -7.525 1.00 23.43 O ATOM 0 H SER B 59 14.425 -7.214 -5.700 1.00 42.03 H new ATOM 0 HA SER B 59 16.790 -8.695 -5.899 1.00 61.42 H new ATOM 0 HB2 SER B 59 16.406 -5.668 -5.846 1.00 54.12 H new ATOM 0 HB3 SER B 59 17.674 -6.550 -6.674 1.00 54.12 H new ATOM 0 HG SER B 59 15.030 -6.105 -7.436 1.00 23.43 H new ATOM 2747 N CYS B 60 16.499 -6.868 -3.178 1.00 71.40 N ATOM 2748 CA CYS B 60 17.080 -6.542 -1.889 1.00 41.54 C ATOM 2749 C CYS B 60 16.743 -7.580 -0.796 1.00 32.05 C ATOM 2750 O CYS B 60 17.086 -7.378 0.367 1.00 32.40 O ATOM 2751 CB CYS B 60 16.615 -5.148 -1.452 1.00 20.43 C ATOM 2752 SG CYS B 60 17.047 -3.820 -2.608 1.00 62.24 S ATOM 0 H CYS B 60 15.544 -6.531 -3.299 1.00 71.40 H new ATOM 0 HA CYS B 60 18.163 -6.557 -2.012 1.00 41.54 H new ATOM 0 HB2 CYS B 60 15.533 -5.163 -1.322 1.00 20.43 H new ATOM 0 HB3 CYS B 60 17.050 -4.922 -0.478 1.00 20.43 H new ATOM 0 HG CYS B 60 18.100 -3.193 -2.174 1.00 62.24 H new ATOM 2758 N GLY B 61 16.116 -8.695 -1.156 1.00 22.12 N ATOM 2759 CA GLY B 61 15.809 -9.673 -0.128 1.00 23.14 C ATOM 2760 C GLY B 61 14.531 -10.455 -0.328 1.00 64.21 C ATOM 2761 O GLY B 61 14.117 -10.737 -1.454 1.00 60.04 O ATOM 0 H GLY B 61 15.824 -8.935 -2.103 1.00 22.12 H new ATOM 0 HA2 GLY B 61 16.638 -10.378 -0.064 1.00 23.14 H new ATOM 0 HA3 GLY B 61 15.752 -9.159 0.831 1.00 23.14 H new ATOM 2765 N SER B 62 13.917 -10.819 0.775 1.00 1.35 N ATOM 2766 CA SER B 62 12.724 -11.643 0.770 1.00 70.34 C ATOM 2767 C SER B 62 11.527 -10.817 1.220 1.00 44.23 C ATOM 2768 O SER B 62 11.564 -10.227 2.290 1.00 33.20 O ATOM 2769 CB SER B 62 12.934 -12.786 1.750 1.00 64.10 C ATOM 2770 OG SER B 62 14.153 -13.453 1.485 1.00 22.21 O ATOM 0 H SER B 62 14.231 -10.551 1.708 1.00 1.35 H new ATOM 0 HA SER B 62 12.538 -12.025 -0.234 1.00 70.34 H new ATOM 0 HB2 SER B 62 12.938 -12.401 2.770 1.00 64.10 H new ATOM 0 HB3 SER B 62 12.105 -13.490 1.678 1.00 64.10 H new ATOM 0 HG SER B 62 14.859 -13.084 2.056 1.00 22.21 H new ATOM 2776 N ILE B 63 10.495 -10.764 0.419 1.00 34.34 N ATOM 2777 CA ILE B 63 9.314 -9.990 0.758 1.00 13.24 C ATOM 2778 C ILE B 63 8.210 -10.816 1.441 1.00 63.12 C ATOM 2779 O ILE B 63 7.841 -11.901 0.982 1.00 52.24 O ATOM 2780 CB ILE B 63 8.766 -9.256 -0.487 1.00 22.35 C ATOM 2781 CG1 ILE B 63 9.801 -8.225 -0.958 1.00 55.23 C ATOM 2782 CG2 ILE B 63 7.415 -8.605 -0.211 1.00 65.02 C ATOM 2783 CD1 ILE B 63 9.385 -7.440 -2.170 1.00 3.00 C ATOM 0 H ILE B 63 10.442 -11.247 -0.478 1.00 34.34 H new ATOM 0 HA ILE B 63 9.634 -9.253 1.495 1.00 13.24 H new ATOM 0 HB ILE B 63 8.599 -9.984 -1.281 1.00 22.35 H new ATOM 0 HG12 ILE B 63 10.003 -7.531 -0.142 1.00 55.23 H new ATOM 0 HG13 ILE B 63 10.736 -8.740 -1.177 1.00 55.23 H new ATOM 0 HG21 ILE B 63 7.064 -8.099 -1.111 1.00 65.02 H new ATOM 0 HG22 ILE B 63 6.695 -9.370 0.080 1.00 65.02 H new ATOM 0 HG23 ILE B 63 7.519 -7.879 0.596 1.00 65.02 H new ATOM 0 HD11 ILE B 63 10.173 -6.735 -2.435 1.00 3.00 H new ATOM 0 HD12 ILE B 63 9.212 -8.121 -3.003 1.00 3.00 H new ATOM 0 HD13 ILE B 63 8.467 -6.893 -1.952 1.00 3.00 H new ATOM 2795 N ASN B 64 7.717 -10.289 2.555 1.00 71.53 N ATOM 2796 CA ASN B 64 6.591 -10.876 3.284 1.00 50.43 C ATOM 2797 C ASN B 64 5.311 -10.243 2.877 1.00 44.52 C ATOM 2798 O ASN B 64 4.346 -10.919 2.663 1.00 63.13 O ATOM 2799 CB ASN B 64 6.703 -10.723 4.802 1.00 73.00 C ATOM 2800 CG ASN B 64 7.716 -11.603 5.450 1.00 54.35 C ATOM 2801 OD1 ASN B 64 8.032 -12.683 4.958 1.00 11.32 O ATOM 2802 ND2 ASN B 64 8.201 -11.173 6.579 1.00 64.40 N ATOM 0 H ASN B 64 8.086 -9.440 2.983 1.00 71.53 H new ATOM 0 HA ASN B 64 6.614 -11.936 3.032 1.00 50.43 H new ATOM 0 HB2 ASN B 64 6.946 -9.685 5.031 1.00 73.00 H new ATOM 0 HB3 ASN B 64 5.729 -10.928 5.246 1.00 73.00 H new ATOM 0 HD21 ASN B 64 8.874 -11.741 7.094 1.00 64.40 H new ATOM 0 HD22 ASN B 64 7.908 -10.268 6.948 1.00 64.40 H new ATOM 2809 N ARG B 65 5.316 -8.933 2.757 1.00 61.22 N ATOM 2810 CA ARG B 65 4.113 -8.162 2.465 1.00 55.03 C ATOM 2811 C ARG B 65 4.492 -6.899 1.750 1.00 1.21 C ATOM 2812 O ARG B 65 5.618 -6.452 1.859 1.00 31.32 O ATOM 2813 CB ARG B 65 3.373 -7.750 3.754 1.00 43.14 C ATOM 2814 CG ARG B 65 2.857 -8.869 4.643 1.00 34.31 C ATOM 2815 CD ARG B 65 2.186 -8.270 5.855 1.00 34.04 C ATOM 2816 NE ARG B 65 1.545 -9.262 6.717 1.00 64.22 N ATOM 2817 CZ ARG B 65 1.641 -9.251 8.052 1.00 71.44 C ATOM 2818 NH1 ARG B 65 2.620 -8.563 8.641 1.00 34.54 N ATOM 2819 NH2 ARG B 65 0.799 -9.976 8.793 1.00 33.53 N ATOM 0 H ARG B 65 6.156 -8.364 2.859 1.00 61.22 H new ATOM 0 HA ARG B 65 3.464 -8.792 1.858 1.00 55.03 H new ATOM 0 HB2 ARG B 65 4.045 -7.130 4.347 1.00 43.14 H new ATOM 0 HB3 ARG B 65 2.526 -7.124 3.473 1.00 43.14 H new ATOM 0 HG2 ARG B 65 2.152 -9.491 4.092 1.00 34.31 H new ATOM 0 HG3 ARG B 65 3.680 -9.515 4.950 1.00 34.31 H new ATOM 0 HD2 ARG B 65 2.927 -7.720 6.436 1.00 34.04 H new ATOM 0 HD3 ARG B 65 1.438 -7.548 5.527 1.00 34.04 H new ATOM 0 HE ARG B 65 0.996 -10.001 6.278 1.00 64.22 H new ATOM 0 HH11 ARG B 65 3.293 -8.047 8.074 1.00 34.54 H new ATOM 0 HH12 ARG B 65 2.696 -8.553 9.658 1.00 34.54 H new ATOM 0 HH21 ARG B 65 0.079 -10.541 8.342 1.00 33.53 H new ATOM 0 HH22 ARG B 65 0.876 -9.965 9.810 1.00 33.53 H new ATOM 2833 N ILE B 66 3.565 -6.329 1.029 1.00 44.31 N ATOM 2834 CA ILE B 66 3.745 -5.034 0.403 1.00 30.51 C ATOM 2835 C ILE B 66 2.408 -4.371 0.393 1.00 12.44 C ATOM 2836 O ILE B 66 1.426 -5.027 0.239 1.00 64.13 O ATOM 2837 CB ILE B 66 4.322 -5.030 -1.069 1.00 51.15 C ATOM 2838 CG1 ILE B 66 3.349 -5.565 -2.099 1.00 73.33 C ATOM 2839 CG2 ILE B 66 5.613 -5.796 -1.165 1.00 51.24 C ATOM 2840 CD1 ILE B 66 3.895 -5.489 -3.505 1.00 40.24 C ATOM 0 H ILE B 66 2.652 -6.749 0.854 1.00 44.31 H new ATOM 0 HA ILE B 66 4.504 -4.516 0.989 1.00 30.51 H new ATOM 0 HB ILE B 66 4.503 -3.979 -1.296 1.00 51.15 H new ATOM 0 HG12 ILE B 66 3.107 -6.601 -1.862 1.00 73.33 H new ATOM 0 HG13 ILE B 66 2.419 -5.000 -2.043 1.00 73.33 H new ATOM 0 HG21 ILE B 66 5.976 -5.769 -2.192 1.00 51.24 H new ATOM 0 HG22 ILE B 66 6.354 -5.344 -0.506 1.00 51.24 H new ATOM 0 HG23 ILE B 66 5.445 -6.831 -0.866 1.00 51.24 H new ATOM 0 HD11 ILE B 66 3.158 -5.885 -4.203 1.00 40.24 H new ATOM 0 HD12 ILE B 66 4.111 -4.450 -3.756 1.00 40.24 H new ATOM 0 HD13 ILE B 66 4.811 -6.077 -3.572 1.00 40.24 H new ATOM 2852 N THR B 67 2.387 -3.115 0.595 1.00 31.34 N ATOM 2853 CA THR B 67 1.176 -2.334 0.618 1.00 3.20 C ATOM 2854 C THR B 67 1.362 -1.215 -0.354 1.00 22.53 C ATOM 2855 O THR B 67 2.380 -0.588 -0.333 1.00 41.41 O ATOM 2856 CB THR B 67 0.943 -1.781 2.042 1.00 74.02 C ATOM 2857 OG1 THR B 67 0.914 -2.879 2.966 1.00 44.23 O ATOM 2858 CG2 THR B 67 -0.363 -1.008 2.136 1.00 11.04 C ATOM 0 H THR B 67 3.230 -2.564 0.757 1.00 31.34 H new ATOM 0 HA THR B 67 0.309 -2.936 0.346 1.00 3.20 H new ATOM 0 HB THR B 67 1.756 -1.096 2.283 1.00 74.02 H new ATOM 0 HG1 THR B 67 0.768 -2.539 3.874 1.00 44.23 H new ATOM 0 HG21 THR B 67 -0.492 -0.635 3.152 1.00 11.04 H new ATOM 0 HG22 THR B 67 -0.340 -0.169 1.441 1.00 11.04 H new ATOM 0 HG23 THR B 67 -1.194 -1.666 1.883 1.00 11.04 H new ATOM 2866 N ILE B 68 0.419 -0.986 -1.210 1.00 13.33 N ATOM 2867 CA ILE B 68 0.538 0.064 -2.173 1.00 65.10 C ATOM 2868 C ILE B 68 -0.697 0.904 -2.049 1.00 21.00 C ATOM 2869 O ILE B 68 -1.798 0.391 -2.191 1.00 22.04 O ATOM 2870 CB ILE B 68 0.600 -0.435 -3.666 1.00 54.54 C ATOM 2871 CG1 ILE B 68 1.562 -1.616 -3.899 1.00 53.13 C ATOM 2872 CG2 ILE B 68 0.962 0.712 -4.601 1.00 43.41 C ATOM 2873 CD1 ILE B 68 0.969 -2.960 -3.572 1.00 15.00 C ATOM 0 H ILE B 68 -0.450 -1.517 -1.263 1.00 13.33 H new ATOM 0 HA ILE B 68 1.470 0.591 -1.968 1.00 65.10 H new ATOM 0 HB ILE B 68 -0.401 -0.804 -3.888 1.00 54.54 H new ATOM 0 HG12 ILE B 68 1.878 -1.614 -4.942 1.00 53.13 H new ATOM 0 HG13 ILE B 68 2.457 -1.468 -3.294 1.00 53.13 H new ATOM 0 HG21 ILE B 68 1.000 0.347 -5.627 1.00 43.41 H new ATOM 0 HG22 ILE B 68 0.210 1.497 -4.523 1.00 43.41 H new ATOM 0 HG23 ILE B 68 1.936 1.114 -4.323 1.00 43.41 H new ATOM 0 HD11 ILE B 68 1.707 -3.739 -3.762 1.00 15.00 H new ATOM 0 HD12 ILE B 68 0.678 -2.984 -2.522 1.00 15.00 H new ATOM 0 HD13 ILE B 68 0.091 -3.132 -4.195 1.00 15.00 H new ATOM 2885 N LEU B 69 -0.546 2.144 -1.754 1.00 32.44 N ATOM 2886 CA LEU B 69 -1.681 3.005 -1.683 1.00 50.55 C ATOM 2887 C LEU B 69 -1.573 4.142 -2.653 1.00 14.44 C ATOM 2888 O LEU B 69 -0.557 4.841 -2.709 1.00 25.44 O ATOM 2889 CB LEU B 69 -2.112 3.435 -0.263 1.00 43.25 C ATOM 2890 CG LEU B 69 -1.098 4.105 0.665 1.00 13.42 C ATOM 2891 CD1 LEU B 69 -1.846 4.653 1.852 1.00 10.12 C ATOM 2892 CD2 LEU B 69 -0.066 3.100 1.159 1.00 1.34 C ATOM 0 H LEU B 69 0.350 2.590 -1.557 1.00 32.44 H new ATOM 0 HA LEU B 69 -2.521 2.387 -2.000 1.00 50.55 H new ATOM 0 HB2 LEU B 69 -2.955 4.117 -0.371 1.00 43.25 H new ATOM 0 HB3 LEU B 69 -2.484 2.547 0.248 1.00 43.25 H new ATOM 0 HG LEU B 69 -0.580 4.895 0.121 1.00 13.42 H new ATOM 0 HD11 LEU B 69 -1.145 5.137 2.532 1.00 10.12 H new ATOM 0 HD12 LEU B 69 -2.584 5.380 1.513 1.00 10.12 H new ATOM 0 HD13 LEU B 69 -2.351 3.839 2.371 1.00 10.12 H new ATOM 0 HD21 LEU B 69 0.644 3.601 1.817 1.00 1.34 H new ATOM 0 HD22 LEU B 69 -0.568 2.302 1.707 1.00 1.34 H new ATOM 0 HD23 LEU B 69 0.466 2.676 0.307 1.00 1.34 H new ATOM 2904 N CYS B 70 -2.595 4.301 -3.433 1.00 23.51 N ATOM 2905 CA CYS B 70 -2.642 5.292 -4.461 1.00 14.43 C ATOM 2906 C CYS B 70 -3.757 6.279 -4.158 1.00 54.11 C ATOM 2907 O CYS B 70 -4.894 5.864 -3.864 1.00 63.21 O ATOM 2908 CB CYS B 70 -2.911 4.587 -5.784 1.00 22.35 C ATOM 2909 SG CYS B 70 -1.644 3.377 -6.247 1.00 10.41 S ATOM 0 H CYS B 70 -3.439 3.732 -3.371 1.00 23.51 H new ATOM 0 HA CYS B 70 -1.699 5.837 -4.515 1.00 14.43 H new ATOM 0 HB2 CYS B 70 -3.876 4.083 -5.725 1.00 22.35 H new ATOM 0 HB3 CYS B 70 -2.990 5.335 -6.573 1.00 22.35 H new ATOM 0 HG CYS B 70 -1.961 2.830 -7.383 1.00 10.41 H new ATOM 2915 N ASP B 71 -3.466 7.570 -4.203 1.00 52.24 N ATOM 2916 CA ASP B 71 -4.501 8.548 -3.908 1.00 70.31 C ATOM 2917 C ASP B 71 -4.870 9.319 -5.153 1.00 20.23 C ATOM 2918 O ASP B 71 -4.001 9.822 -5.839 1.00 11.24 O ATOM 2919 CB ASP B 71 -4.089 9.508 -2.769 1.00 11.22 C ATOM 2920 CG ASP B 71 -2.945 10.456 -3.107 1.00 61.35 C ATOM 2921 OD1 ASP B 71 -3.196 11.552 -3.638 1.00 12.41 O ATOM 2922 OD2 ASP B 71 -1.805 10.139 -2.815 1.00 72.35 O ATOM 0 H ASP B 71 -2.551 7.957 -4.434 1.00 52.24 H new ATOM 0 HA ASP B 71 -5.377 8.000 -3.561 1.00 70.31 H new ATOM 0 HB2 ASP B 71 -4.958 10.100 -2.481 1.00 11.22 H new ATOM 0 HB3 ASP B 71 -3.805 8.915 -1.900 1.00 11.22 H new ATOM 2927 N LYS B 72 -6.163 9.379 -5.478 1.00 32.43 N ATOM 2928 CA LYS B 72 -6.598 10.114 -6.671 1.00 71.23 C ATOM 2929 C LYS B 72 -7.629 11.184 -6.280 1.00 24.53 C ATOM 2930 O LYS B 72 -8.175 11.880 -7.129 1.00 13.13 O ATOM 2931 CB LYS B 72 -7.257 9.165 -7.697 1.00 11.44 C ATOM 2932 CG LYS B 72 -7.464 9.815 -9.070 1.00 44.21 C ATOM 2933 CD LYS B 72 -8.480 9.094 -9.938 1.00 24.20 C ATOM 2934 CE LYS B 72 -8.139 7.642 -10.205 1.00 25.50 C ATOM 2935 NZ LYS B 72 -9.139 7.036 -11.122 1.00 52.34 N ATOM 0 H LYS B 72 -6.914 8.939 -4.946 1.00 32.43 H new ATOM 0 HA LYS B 72 -5.716 10.575 -7.115 1.00 71.23 H new ATOM 0 HB2 LYS B 72 -6.636 8.276 -7.812 1.00 11.44 H new ATOM 0 HB3 LYS B 72 -8.220 8.833 -7.310 1.00 11.44 H new ATOM 0 HG2 LYS B 72 -7.786 10.847 -8.929 1.00 44.21 H new ATOM 0 HG3 LYS B 72 -6.509 9.848 -9.595 1.00 44.21 H new ATOM 0 HD2 LYS B 72 -9.456 9.145 -9.456 1.00 24.20 H new ATOM 0 HD3 LYS B 72 -8.567 9.618 -10.890 1.00 24.20 H new ATOM 0 HE2 LYS B 72 -7.144 7.570 -10.643 1.00 25.50 H new ATOM 0 HE3 LYS B 72 -8.115 7.089 -9.266 1.00 25.50 H new ATOM 0 HZ1 LYS B 72 -9.049 6.000 -11.098 1.00 52.34 H new ATOM 0 HZ2 LYS B 72 -10.096 7.308 -10.820 1.00 52.34 H new ATOM 0 HZ3 LYS B 72 -8.972 7.375 -12.091 1.00 52.34 H new ATOM 2949 N PHE B 73 -7.873 11.325 -4.997 1.00 35.45 N ATOM 2950 CA PHE B 73 -8.920 12.229 -4.505 1.00 52.01 C ATOM 2951 C PHE B 73 -8.657 13.725 -4.823 1.00 70.30 C ATOM 2952 O PHE B 73 -9.500 14.577 -4.559 1.00 3.52 O ATOM 2953 CB PHE B 73 -9.180 12.009 -3.002 1.00 41.23 C ATOM 2954 CG PHE B 73 -8.023 12.333 -2.109 1.00 34.35 C ATOM 2955 CD1 PHE B 73 -7.862 13.610 -1.606 1.00 32.24 C ATOM 2956 CD2 PHE B 73 -7.102 11.367 -1.770 1.00 32.32 C ATOM 2957 CE1 PHE B 73 -6.807 13.913 -0.786 1.00 33.03 C ATOM 2958 CE2 PHE B 73 -6.039 11.669 -0.946 1.00 21.32 C ATOM 2959 CZ PHE B 73 -5.894 12.939 -0.455 1.00 42.25 C ATOM 0 H PHE B 73 -7.366 10.829 -4.264 1.00 35.45 H new ATOM 0 HA PHE B 73 -9.824 11.969 -5.056 1.00 52.01 H new ATOM 0 HB2 PHE B 73 -10.033 12.618 -2.703 1.00 41.23 H new ATOM 0 HB3 PHE B 73 -9.461 10.968 -2.845 1.00 41.23 H new ATOM 0 HD1 PHE B 73 -8.576 14.378 -1.862 1.00 32.24 H new ATOM 0 HD2 PHE B 73 -7.214 10.363 -2.153 1.00 32.32 H new ATOM 0 HE1 PHE B 73 -6.692 14.915 -0.400 1.00 33.03 H new ATOM 0 HE2 PHE B 73 -5.321 10.905 -0.688 1.00 21.32 H new ATOM 0 HZ PHE B 73 -5.063 13.176 0.192 1.00 42.25 H new ATOM 2969 N SER B 74 -7.498 14.040 -5.353 1.00 73.22 N ATOM 2970 CA SER B 74 -7.211 15.394 -5.757 1.00 63.03 C ATOM 2971 C SER B 74 -7.228 15.534 -7.289 1.00 10.33 C ATOM 2972 O SER B 74 -6.919 16.605 -7.828 1.00 13.23 O ATOM 2973 CB SER B 74 -5.869 15.824 -5.194 1.00 30.52 C ATOM 2974 OG SER B 74 -5.865 15.701 -3.772 1.00 33.03 O ATOM 0 H SER B 74 -6.740 13.377 -5.514 1.00 73.22 H new ATOM 0 HA SER B 74 -7.989 16.046 -5.359 1.00 63.03 H new ATOM 0 HB2 SER B 74 -5.075 15.211 -5.621 1.00 30.52 H new ATOM 0 HB3 SER B 74 -5.662 16.856 -5.477 1.00 30.52 H new ATOM 0 HG SER B 74 -4.993 15.980 -3.422 1.00 33.03 H new ATOM 2980 N GLY B 75 -7.618 14.477 -7.981 1.00 70.21 N ATOM 2981 CA GLY B 75 -7.639 14.504 -9.424 1.00 44.12 C ATOM 2982 C GLY B 75 -6.593 13.593 -10.015 1.00 64.54 C ATOM 2983 O GLY B 75 -6.911 12.633 -10.708 1.00 32.30 O ATOM 0 H GLY B 75 -7.922 13.597 -7.565 1.00 70.21 H new ATOM 0 HA2 GLY B 75 -8.625 14.204 -9.779 1.00 44.12 H new ATOM 0 HA3 GLY B 75 -7.472 15.524 -9.771 1.00 44.12 H new ATOM 2987 N HIS B 76 -5.352 13.878 -9.728 1.00 72.35 N ATOM 2988 CA HIS B 76 -4.262 13.069 -10.238 1.00 22.13 C ATOM 2989 C HIS B 76 -3.851 12.049 -9.197 1.00 62.21 C ATOM 2990 O HIS B 76 -3.635 12.396 -8.024 1.00 3.13 O ATOM 2991 CB HIS B 76 -3.055 13.901 -10.712 1.00 75.13 C ATOM 2992 CG HIS B 76 -3.349 14.827 -11.846 1.00 63.21 C ATOM 2993 ND1 HIS B 76 -3.252 14.454 -13.168 1.00 73.44 N ATOM 2994 CD2 HIS B 76 -3.736 16.120 -11.852 1.00 4.52 C ATOM 2995 CE1 HIS B 76 -3.566 15.476 -13.933 1.00 50.01 C ATOM 2996 NE2 HIS B 76 -3.863 16.499 -13.159 1.00 31.14 N ATOM 0 H HIS B 76 -5.063 14.663 -9.144 1.00 72.35 H new ATOM 0 HA HIS B 76 -4.630 12.554 -11.126 1.00 22.13 H new ATOM 0 HB2 HIS B 76 -2.679 14.484 -9.871 1.00 75.13 H new ATOM 0 HB3 HIS B 76 -2.257 13.222 -11.011 1.00 75.13 H new ATOM 0 HD2 HIS B 76 -3.912 16.740 -10.985 1.00 4.52 H new ATOM 0 HE1 HIS B 76 -3.578 15.476 -15.013 1.00 50.01 H new ATOM 0 HE2 HIS B 76 -4.143 17.425 -13.483 1.00 31.14 H new ATOM 3005 N PRO B 77 -3.757 10.788 -9.587 1.00 63.45 N ATOM 3006 CA PRO B 77 -3.417 9.711 -8.677 1.00 60.51 C ATOM 3007 C PRO B 77 -1.914 9.613 -8.376 1.00 61.12 C ATOM 3008 O PRO B 77 -1.075 9.579 -9.293 1.00 1.52 O ATOM 3009 CB PRO B 77 -3.919 8.479 -9.412 1.00 50.02 C ATOM 3010 CG PRO B 77 -3.790 8.813 -10.856 1.00 61.31 C ATOM 3011 CD PRO B 77 -3.987 10.298 -10.961 1.00 45.44 C ATOM 0 HA PRO B 77 -3.862 9.853 -7.692 1.00 60.51 H new ATOM 0 HB2 PRO B 77 -3.329 7.599 -9.156 1.00 50.02 H new ATOM 0 HB3 PRO B 77 -4.953 8.257 -9.149 1.00 50.02 H new ATOM 0 HG2 PRO B 77 -2.811 8.522 -11.237 1.00 61.31 H new ATOM 0 HG3 PRO B 77 -4.534 8.279 -11.447 1.00 61.31 H new ATOM 0 HD2 PRO B 77 -3.286 10.745 -11.666 1.00 45.44 H new ATOM 0 HD3 PRO B 77 -4.990 10.544 -11.310 1.00 45.44 H new ATOM 3019 N LYS B 78 -1.577 9.611 -7.102 1.00 14.04 N ATOM 3020 CA LYS B 78 -0.198 9.458 -6.647 1.00 60.02 C ATOM 3021 C LYS B 78 -0.056 8.081 -6.056 1.00 54.44 C ATOM 3022 O LYS B 78 -0.968 7.257 -6.184 1.00 53.22 O ATOM 3023 CB LYS B 78 0.174 10.476 -5.547 1.00 4.23 C ATOM 3024 CG LYS B 78 -0.086 11.930 -5.879 1.00 23.30 C ATOM 3025 CD LYS B 78 0.716 12.871 -4.958 1.00 73.03 C ATOM 3026 CE LYS B 78 0.433 12.648 -3.470 1.00 3.41 C ATOM 3027 NZ LYS B 78 -0.956 12.966 -3.088 1.00 65.21 N ATOM 0 H LYS B 78 -2.252 9.716 -6.344 1.00 14.04 H new ATOM 0 HA LYS B 78 0.458 9.621 -7.502 1.00 60.02 H new ATOM 0 HB2 LYS B 78 -0.381 10.225 -4.643 1.00 4.23 H new ATOM 0 HB3 LYS B 78 1.232 10.360 -5.314 1.00 4.23 H new ATOM 0 HG2 LYS B 78 0.182 12.121 -6.918 1.00 23.30 H new ATOM 0 HG3 LYS B 78 -1.151 12.142 -5.780 1.00 23.30 H new ATOM 0 HD2 LYS B 78 1.781 12.729 -5.143 1.00 73.03 H new ATOM 0 HD3 LYS B 78 0.483 13.904 -5.214 1.00 73.03 H new ATOM 0 HE2 LYS B 78 0.643 11.608 -3.219 1.00 3.41 H new ATOM 0 HE3 LYS B 78 1.114 13.262 -2.881 1.00 3.41 H new ATOM 0 HZ1 LYS B 78 -1.098 12.747 -2.081 1.00 65.21 H new ATOM 0 HZ2 LYS B 78 -1.138 13.977 -3.251 1.00 65.21 H new ATOM 0 HZ3 LYS B 78 -1.612 12.399 -3.662 1.00 65.21 H new ATOM 3041 N GLY B 79 1.036 7.840 -5.370 1.00 44.25 N ATOM 3042 CA GLY B 79 1.244 6.559 -4.807 1.00 23.21 C ATOM 3043 C GLY B 79 2.387 6.509 -3.833 1.00 21.43 C ATOM 3044 O GLY B 79 3.372 7.252 -3.950 1.00 34.44 O ATOM 0 H GLY B 79 1.779 8.518 -5.198 1.00 44.25 H new ATOM 0 HA2 GLY B 79 0.332 6.241 -4.301 1.00 23.21 H new ATOM 0 HA3 GLY B 79 1.429 5.844 -5.609 1.00 23.21 H new ATOM 3048 N TYR B 80 2.228 5.661 -2.864 1.00 22.23 N ATOM 3049 CA TYR B 80 3.239 5.325 -1.905 1.00 22.13 C ATOM 3050 C TYR B 80 3.001 3.911 -1.420 1.00 31.45 C ATOM 3051 O TYR B 80 1.862 3.464 -1.350 1.00 25.32 O ATOM 3052 CB TYR B 80 3.433 6.392 -0.779 1.00 63.21 C ATOM 3053 CG TYR B 80 2.200 6.841 -0.013 1.00 41.11 C ATOM 3054 CD1 TYR B 80 1.312 7.757 -0.566 1.00 42.13 C ATOM 3055 CD2 TYR B 80 1.952 6.388 1.274 1.00 71.13 C ATOM 3056 CE1 TYR B 80 0.212 8.203 0.138 1.00 20.32 C ATOM 3057 CE2 TYR B 80 0.849 6.827 1.982 1.00 10.34 C ATOM 3058 CZ TYR B 80 -0.017 7.736 1.410 1.00 70.30 C ATOM 3059 OH TYR B 80 -1.123 8.183 2.119 1.00 52.34 O ATOM 0 H TYR B 80 1.352 5.161 -2.712 1.00 22.23 H new ATOM 0 HA TYR B 80 4.212 5.348 -2.395 1.00 22.13 H new ATOM 0 HB2 TYR B 80 4.149 5.994 -0.059 1.00 63.21 H new ATOM 0 HB3 TYR B 80 3.889 7.274 -1.228 1.00 63.21 H new ATOM 0 HD1 TYR B 80 1.486 8.127 -1.566 1.00 42.13 H new ATOM 0 HD2 TYR B 80 2.630 5.682 1.730 1.00 71.13 H new ATOM 0 HE1 TYR B 80 -0.466 8.916 -0.309 1.00 20.32 H new ATOM 0 HE2 TYR B 80 0.666 6.459 2.981 1.00 10.34 H new ATOM 0 HH TYR B 80 -1.141 7.756 3.001 1.00 52.34 H new ATOM 3069 N ALA B 81 4.052 3.198 -1.158 1.00 24.24 N ATOM 3070 CA ALA B 81 3.961 1.801 -0.843 1.00 10.15 C ATOM 3071 C ALA B 81 4.808 1.456 0.357 1.00 5.34 C ATOM 3072 O ALA B 81 5.720 2.155 0.680 1.00 41.20 O ATOM 3073 CB ALA B 81 4.404 0.979 -2.054 1.00 63.02 C ATOM 0 H ALA B 81 5.003 3.568 -1.156 1.00 24.24 H new ATOM 0 HA ALA B 81 2.925 1.566 -0.598 1.00 10.15 H new ATOM 0 HB1 ALA B 81 4.336 -0.083 -1.818 1.00 63.02 H new ATOM 0 HB2 ALA B 81 3.758 1.204 -2.903 1.00 63.02 H new ATOM 0 HB3 ALA B 81 5.434 1.229 -2.306 1.00 63.02 H new ATOM 3079 N TYR B 82 4.462 0.411 1.038 1.00 4.24 N ATOM 3080 CA TYR B 82 5.231 -0.072 2.168 1.00 61.23 C ATOM 3081 C TYR B 82 5.601 -1.510 1.938 1.00 42.21 C ATOM 3082 O TYR B 82 4.734 -2.336 1.692 1.00 22.54 O ATOM 3083 CB TYR B 82 4.416 0.054 3.450 1.00 51.24 C ATOM 3084 CG TYR B 82 4.096 1.474 3.838 1.00 60.43 C ATOM 3085 CD1 TYR B 82 3.112 2.198 3.183 1.00 53.15 C ATOM 3086 CD2 TYR B 82 4.766 2.083 4.869 1.00 21.51 C ATOM 3087 CE1 TYR B 82 2.815 3.481 3.551 1.00 35.14 C ATOM 3088 CE2 TYR B 82 4.476 3.374 5.244 1.00 61.34 C ATOM 3089 CZ TYR B 82 3.496 4.065 4.578 1.00 53.03 C ATOM 3090 OH TYR B 82 3.186 5.346 4.952 1.00 34.10 O ATOM 0 H TYR B 82 3.632 -0.145 0.833 1.00 4.24 H new ATOM 0 HA TYR B 82 6.136 0.526 2.269 1.00 61.23 H new ATOM 0 HB2 TYR B 82 3.484 -0.498 3.331 1.00 51.24 H new ATOM 0 HB3 TYR B 82 4.964 -0.419 4.265 1.00 51.24 H new ATOM 0 HD1 TYR B 82 2.571 1.741 2.368 1.00 53.15 H new ATOM 0 HD2 TYR B 82 5.536 1.538 5.396 1.00 21.51 H new ATOM 0 HE1 TYR B 82 2.044 4.030 3.030 1.00 35.14 H new ATOM 0 HE2 TYR B 82 5.015 3.840 6.056 1.00 61.34 H new ATOM 0 HH TYR B 82 2.296 5.579 4.614 1.00 34.10 H new ATOM 3100 N ILE B 83 6.864 -1.814 1.985 1.00 62.40 N ATOM 3101 CA ILE B 83 7.325 -3.163 1.724 1.00 13.43 C ATOM 3102 C ILE B 83 7.783 -3.800 3.044 1.00 53.50 C ATOM 3103 O ILE B 83 8.600 -3.226 3.760 1.00 71.24 O ATOM 3104 CB ILE B 83 8.540 -3.134 0.735 1.00 4.03 C ATOM 3105 CG1 ILE B 83 8.247 -2.258 -0.501 1.00 10.44 C ATOM 3106 CG2 ILE B 83 8.944 -4.532 0.294 1.00 61.24 C ATOM 3107 CD1 ILE B 83 7.061 -2.679 -1.342 1.00 62.24 C ATOM 0 H ILE B 83 7.605 -1.148 2.202 1.00 62.40 H new ATOM 0 HA ILE B 83 6.511 -3.739 1.284 1.00 13.43 H new ATOM 0 HB ILE B 83 9.373 -2.693 1.283 1.00 4.03 H new ATOM 0 HG12 ILE B 83 8.085 -1.233 -0.166 1.00 10.44 H new ATOM 0 HG13 ILE B 83 9.133 -2.250 -1.135 1.00 10.44 H new ATOM 0 HG21 ILE B 83 9.790 -4.467 -0.391 1.00 61.24 H new ATOM 0 HG22 ILE B 83 9.228 -5.121 1.166 1.00 61.24 H new ATOM 0 HG23 ILE B 83 8.105 -5.011 -0.210 1.00 61.24 H new ATOM 0 HD11 ILE B 83 6.949 -1.994 -2.182 1.00 62.24 H new ATOM 0 HD12 ILE B 83 7.221 -3.690 -1.717 1.00 62.24 H new ATOM 0 HD13 ILE B 83 6.157 -2.657 -0.733 1.00 62.24 H new ATOM 3119 N GLU B 84 7.231 -4.937 3.380 1.00 22.33 N ATOM 3120 CA GLU B 84 7.639 -5.660 4.565 1.00 72.12 C ATOM 3121 C GLU B 84 8.510 -6.829 4.119 1.00 64.12 C ATOM 3122 O GLU B 84 8.060 -7.697 3.355 1.00 12.34 O ATOM 3123 CB GLU B 84 6.403 -6.201 5.301 1.00 10.41 C ATOM 3124 CG GLU B 84 6.697 -6.870 6.642 1.00 72.41 C ATOM 3125 CD GLU B 84 5.468 -7.511 7.257 1.00 54.31 C ATOM 3126 OE1 GLU B 84 5.183 -8.651 6.936 1.00 34.11 O ATOM 3127 OE2 GLU B 84 4.783 -6.878 8.064 1.00 24.22 O ATOM 0 H GLU B 84 6.489 -5.389 2.846 1.00 22.33 H new ATOM 0 HA GLU B 84 8.187 -5.001 5.238 1.00 72.12 H new ATOM 0 HB2 GLU B 84 5.707 -5.378 5.466 1.00 10.41 H new ATOM 0 HB3 GLU B 84 5.899 -6.920 4.655 1.00 10.41 H new ATOM 0 HG2 GLU B 84 7.467 -7.629 6.504 1.00 72.41 H new ATOM 0 HG3 GLU B 84 7.100 -6.129 7.333 1.00 72.41 H new ATOM 3134 N PHE B 85 9.732 -6.854 4.564 1.00 33.13 N ATOM 3135 CA PHE B 85 10.639 -7.919 4.203 1.00 62.33 C ATOM 3136 C PHE B 85 10.631 -8.993 5.258 1.00 34.14 C ATOM 3137 O PHE B 85 10.133 -8.780 6.335 1.00 24.11 O ATOM 3138 CB PHE B 85 12.055 -7.386 4.020 1.00 75.31 C ATOM 3139 CG PHE B 85 12.214 -6.409 2.893 1.00 35.32 C ATOM 3140 CD1 PHE B 85 12.498 -6.854 1.614 1.00 11.31 C ATOM 3141 CD2 PHE B 85 12.097 -5.050 3.114 1.00 13.12 C ATOM 3142 CE1 PHE B 85 12.660 -5.963 0.578 1.00 33.41 C ATOM 3143 CE2 PHE B 85 12.259 -4.156 2.084 1.00 34.41 C ATOM 3144 CZ PHE B 85 12.541 -4.610 0.817 1.00 62.45 C ATOM 0 H PHE B 85 10.131 -6.147 5.182 1.00 33.13 H new ATOM 0 HA PHE B 85 10.302 -8.344 3.258 1.00 62.33 H new ATOM 0 HB2 PHE B 85 12.371 -6.906 4.946 1.00 75.31 H new ATOM 0 HB3 PHE B 85 12.727 -8.228 3.851 1.00 75.31 H new ATOM 0 HD1 PHE B 85 12.594 -7.913 1.427 1.00 11.31 H new ATOM 0 HD2 PHE B 85 11.876 -4.687 4.107 1.00 13.12 H new ATOM 0 HE1 PHE B 85 12.879 -6.321 -0.417 1.00 33.41 H new ATOM 0 HE2 PHE B 85 12.165 -3.096 2.269 1.00 34.41 H new ATOM 0 HZ PHE B 85 12.669 -3.906 0.008 1.00 62.45 H new ATOM 3154 N ALA B 86 11.122 -10.164 4.917 1.00 24.13 N ATOM 3155 CA ALA B 86 11.264 -11.251 5.876 1.00 5.41 C ATOM 3156 C ALA B 86 12.544 -11.123 6.666 1.00 35.42 C ATOM 3157 O ALA B 86 12.687 -11.700 7.736 1.00 22.53 O ATOM 3158 CB ALA B 86 11.223 -12.597 5.171 1.00 25.32 C ATOM 0 H ALA B 86 11.434 -10.395 3.974 1.00 24.13 H new ATOM 0 HA ALA B 86 10.426 -11.188 6.570 1.00 5.41 H new ATOM 0 HB1 ALA B 86 11.331 -13.396 5.905 1.00 25.32 H new ATOM 0 HB2 ALA B 86 10.271 -12.707 4.652 1.00 25.32 H new ATOM 0 HB3 ALA B 86 12.038 -12.655 4.450 1.00 25.32 H new ATOM 3164 N GLU B 87 13.476 -10.400 6.131 1.00 42.31 N ATOM 3165 CA GLU B 87 14.749 -10.235 6.784 1.00 52.44 C ATOM 3166 C GLU B 87 14.986 -8.758 7.087 1.00 4.10 C ATOM 3167 O GLU B 87 14.576 -7.892 6.318 1.00 25.41 O ATOM 3168 CB GLU B 87 15.836 -10.797 5.862 1.00 45.14 C ATOM 3169 CG GLU B 87 15.538 -12.224 5.385 1.00 3.34 C ATOM 3170 CD GLU B 87 16.496 -12.735 4.333 1.00 73.41 C ATOM 3171 OE1 GLU B 87 17.572 -13.236 4.696 1.00 2.42 O ATOM 3172 OE2 GLU B 87 16.165 -12.662 3.114 1.00 62.50 O ATOM 0 H GLU B 87 13.385 -9.910 5.241 1.00 42.31 H new ATOM 0 HA GLU B 87 14.770 -10.773 7.732 1.00 52.44 H new ATOM 0 HB2 GLU B 87 15.942 -10.145 4.995 1.00 45.14 H new ATOM 0 HB3 GLU B 87 16.791 -10.787 6.387 1.00 45.14 H new ATOM 0 HG2 GLU B 87 15.565 -12.896 6.243 1.00 3.34 H new ATOM 0 HG3 GLU B 87 14.524 -12.258 4.986 1.00 3.34 H new ATOM 3179 N ARG B 88 15.642 -8.475 8.210 1.00 32.41 N ATOM 3180 CA ARG B 88 15.923 -7.093 8.596 1.00 15.11 C ATOM 3181 C ARG B 88 17.002 -6.574 7.657 1.00 4.21 C ATOM 3182 O ARG B 88 17.001 -5.417 7.261 1.00 13.32 O ATOM 3183 CB ARG B 88 16.456 -7.040 10.045 1.00 44.14 C ATOM 3184 CG ARG B 88 16.004 -5.831 10.889 1.00 71.31 C ATOM 3185 CD ARG B 88 16.305 -4.456 10.278 1.00 0.20 C ATOM 3186 NE ARG B 88 17.729 -4.186 10.069 1.00 30.33 N ATOM 3187 CZ ARG B 88 18.499 -3.474 10.905 1.00 40.43 C ATOM 3188 NH1 ARG B 88 18.056 -3.117 12.116 1.00 3.21 N ATOM 3189 NH2 ARG B 88 19.711 -3.133 10.535 1.00 61.44 N ATOM 0 H ARG B 88 15.987 -9.177 8.864 1.00 32.41 H new ATOM 0 HA ARG B 88 15.015 -6.493 8.536 1.00 15.11 H new ATOM 0 HB2 ARG B 88 16.148 -7.951 10.558 1.00 44.14 H new ATOM 0 HB3 ARG B 88 17.545 -7.047 10.011 1.00 44.14 H new ATOM 0 HG2 ARG B 88 14.930 -5.908 11.058 1.00 71.31 H new ATOM 0 HG3 ARG B 88 16.485 -5.890 11.865 1.00 71.31 H new ATOM 0 HD2 ARG B 88 15.788 -4.376 9.322 1.00 0.20 H new ATOM 0 HD3 ARG B 88 15.893 -3.685 10.929 1.00 0.20 H new ATOM 0 HE ARG B 88 18.166 -4.566 9.229 1.00 30.33 H new ATOM 0 HH11 ARG B 88 17.119 -3.386 12.416 1.00 3.21 H new ATOM 0 HH12 ARG B 88 18.655 -2.575 12.739 1.00 3.21 H new ATOM 0 HH21 ARG B 88 20.061 -3.409 9.618 1.00 61.44 H new ATOM 0 HH22 ARG B 88 20.303 -2.592 11.165 1.00 61.44 H new ATOM 3203 N ASN B 89 17.897 -7.487 7.277 1.00 42.11 N ATOM 3204 CA ASN B 89 19.049 -7.180 6.402 1.00 75.52 C ATOM 3205 C ASN B 89 18.537 -6.638 5.086 1.00 44.11 C ATOM 3206 O ASN B 89 19.175 -5.802 4.449 1.00 55.12 O ATOM 3207 CB ASN B 89 19.850 -8.442 6.053 1.00 11.44 C ATOM 3208 CG ASN B 89 20.018 -9.465 7.166 1.00 24.31 C ATOM 3209 OD1 ASN B 89 20.050 -10.657 6.887 1.00 33.20 O ATOM 3210 ND2 ASN B 89 20.167 -9.045 8.396 1.00 70.24 N ATOM 0 H ASN B 89 17.851 -8.465 7.563 1.00 42.11 H new ATOM 0 HA ASN B 89 19.679 -6.470 6.937 1.00 75.52 H new ATOM 0 HB2 ASN B 89 19.365 -8.932 5.209 1.00 11.44 H new ATOM 0 HB3 ASN B 89 20.841 -8.136 5.718 1.00 11.44 H new ATOM 0 HD21 ASN B 89 20.314 -9.716 9.150 1.00 70.24 H new ATOM 0 HD22 ASN B 89 20.136 -8.046 8.601 1.00 70.24 H new ATOM 3217 N SER B 90 17.366 -7.121 4.678 1.00 4.43 N ATOM 3218 CA SER B 90 16.755 -6.727 3.450 1.00 73.31 C ATOM 3219 C SER B 90 16.412 -5.246 3.464 1.00 1.33 C ATOM 3220 O SER B 90 16.528 -4.574 2.439 1.00 5.23 O ATOM 3221 CB SER B 90 15.507 -7.561 3.218 1.00 41.24 C ATOM 3222 OG SER B 90 15.812 -8.949 3.261 1.00 75.41 O ATOM 0 H SER B 90 16.824 -7.803 5.209 1.00 4.43 H new ATOM 0 HA SER B 90 17.459 -6.896 2.635 1.00 73.31 H new ATOM 0 HB2 SER B 90 14.760 -7.325 3.976 1.00 41.24 H new ATOM 0 HB3 SER B 90 15.071 -7.310 2.251 1.00 41.24 H new ATOM 0 HG SER B 90 16.666 -9.110 2.809 1.00 75.41 H new ATOM 3228 N VAL B 91 16.002 -4.721 4.630 1.00 32.22 N ATOM 3229 CA VAL B 91 15.662 -3.320 4.693 1.00 63.41 C ATOM 3230 C VAL B 91 16.923 -2.510 4.538 1.00 73.11 C ATOM 3231 O VAL B 91 16.921 -1.517 3.853 1.00 42.52 O ATOM 3232 CB VAL B 91 14.859 -2.880 5.973 1.00 43.04 C ATOM 3233 CG1 VAL B 91 13.746 -3.839 6.287 1.00 72.34 C ATOM 3234 CG2 VAL B 91 15.720 -2.570 7.198 1.00 4.03 C ATOM 0 H VAL B 91 15.905 -5.237 5.505 1.00 32.22 H new ATOM 0 HA VAL B 91 14.970 -3.131 3.872 1.00 63.41 H new ATOM 0 HB VAL B 91 14.413 -1.921 5.709 1.00 43.04 H new ATOM 0 HG11 VAL B 91 13.215 -3.501 7.177 1.00 72.34 H new ATOM 0 HG12 VAL B 91 13.054 -3.881 5.446 1.00 72.34 H new ATOM 0 HG13 VAL B 91 14.160 -4.831 6.466 1.00 72.34 H new ATOM 0 HG21 VAL B 91 15.078 -2.276 8.029 1.00 4.03 H new ATOM 0 HG22 VAL B 91 16.290 -3.456 7.476 1.00 4.03 H new ATOM 0 HG23 VAL B 91 16.406 -1.756 6.964 1.00 4.03 H new ATOM 3244 N ASP B 92 18.020 -2.977 5.156 1.00 35.04 N ATOM 3245 CA ASP B 92 19.334 -2.330 5.024 1.00 0.34 C ATOM 3246 C ASP B 92 19.758 -2.257 3.559 1.00 20.51 C ATOM 3247 O ASP B 92 20.353 -1.272 3.117 1.00 11.00 O ATOM 3248 CB ASP B 92 20.404 -3.090 5.819 1.00 73.30 C ATOM 3249 CG ASP B 92 20.172 -3.107 7.314 1.00 31.21 C ATOM 3250 OD1 ASP B 92 20.543 -2.144 7.989 1.00 10.43 O ATOM 3251 OD2 ASP B 92 19.625 -4.090 7.833 1.00 13.25 O ATOM 0 H ASP B 92 18.022 -3.803 5.754 1.00 35.04 H new ATOM 0 HA ASP B 92 19.241 -1.320 5.424 1.00 0.34 H new ATOM 0 HB2 ASP B 92 20.447 -4.118 5.458 1.00 73.30 H new ATOM 0 HB3 ASP B 92 21.377 -2.641 5.619 1.00 73.30 H new ATOM 3256 N ALA B 93 19.446 -3.298 2.817 1.00 33.23 N ATOM 3257 CA ALA B 93 19.753 -3.359 1.398 1.00 25.42 C ATOM 3258 C ALA B 93 18.814 -2.437 0.606 1.00 71.43 C ATOM 3259 O ALA B 93 19.216 -1.837 -0.390 1.00 63.31 O ATOM 3260 CB ALA B 93 19.635 -4.795 0.908 1.00 21.51 C ATOM 0 H ALA B 93 18.973 -4.127 3.177 1.00 33.23 H new ATOM 0 HA ALA B 93 20.776 -3.017 1.240 1.00 25.42 H new ATOM 0 HB1 ALA B 93 19.866 -4.836 -0.156 1.00 21.51 H new ATOM 0 HB2 ALA B 93 20.335 -5.425 1.456 1.00 21.51 H new ATOM 0 HB3 ALA B 93 18.619 -5.153 1.073 1.00 21.51 H new ATOM 3266 N ALA B 94 17.579 -2.315 1.058 1.00 11.12 N ATOM 3267 CA ALA B 94 16.600 -1.484 0.374 1.00 60.03 C ATOM 3268 C ALA B 94 16.843 -0.002 0.654 1.00 15.51 C ATOM 3269 O ALA B 94 16.815 0.803 -0.254 1.00 2.04 O ATOM 3270 CB ALA B 94 15.170 -1.892 0.733 1.00 31.13 C ATOM 0 H ALA B 94 17.228 -2.780 1.895 1.00 11.12 H new ATOM 0 HA ALA B 94 16.724 -1.644 -0.697 1.00 60.03 H new ATOM 0 HB1 ALA B 94 14.465 -1.250 0.204 1.00 31.13 H new ATOM 0 HB2 ALA B 94 15.004 -2.930 0.443 1.00 31.13 H new ATOM 0 HB3 ALA B 94 15.021 -1.787 1.808 1.00 31.13 H new ATOM 3276 N VAL B 95 17.100 0.338 1.925 1.00 61.21 N ATOM 3277 CA VAL B 95 17.356 1.733 2.351 1.00 63.23 C ATOM 3278 C VAL B 95 18.521 2.376 1.596 1.00 14.51 C ATOM 3279 O VAL B 95 18.598 3.595 1.496 1.00 62.50 O ATOM 3280 CB VAL B 95 17.572 1.896 3.883 1.00 4.12 C ATOM 3281 CG1 VAL B 95 16.395 1.371 4.664 1.00 73.43 C ATOM 3282 CG2 VAL B 95 18.863 1.255 4.346 1.00 24.54 C ATOM 0 H VAL B 95 17.138 -0.338 2.688 1.00 61.21 H new ATOM 0 HA VAL B 95 16.437 2.260 2.094 1.00 63.23 H new ATOM 0 HB VAL B 95 17.654 2.965 4.079 1.00 4.12 H new ATOM 0 HG11 VAL B 95 16.579 1.500 5.731 1.00 73.43 H new ATOM 0 HG12 VAL B 95 15.497 1.920 4.382 1.00 73.43 H new ATOM 0 HG13 VAL B 95 16.257 0.312 4.446 1.00 73.43 H new ATOM 0 HG21 VAL B 95 18.973 1.393 5.422 1.00 24.54 H new ATOM 0 HG22 VAL B 95 18.843 0.189 4.117 1.00 24.54 H new ATOM 0 HG23 VAL B 95 19.705 1.720 3.833 1.00 24.54 H new ATOM 3292 N ALA B 96 19.413 1.546 1.056 1.00 75.24 N ATOM 3293 CA ALA B 96 20.542 2.023 0.255 1.00 71.53 C ATOM 3294 C ALA B 96 20.051 2.620 -1.071 1.00 25.34 C ATOM 3295 O ALA B 96 20.810 3.224 -1.817 1.00 21.14 O ATOM 3296 CB ALA B 96 21.522 0.889 -0.005 1.00 64.44 C ATOM 0 H ALA B 96 19.375 0.532 1.160 1.00 75.24 H new ATOM 0 HA ALA B 96 21.054 2.806 0.814 1.00 71.53 H new ATOM 0 HB1 ALA B 96 22.356 1.259 -0.602 1.00 64.44 H new ATOM 0 HB2 ALA B 96 21.896 0.507 0.945 1.00 64.44 H new ATOM 0 HB3 ALA B 96 21.017 0.088 -0.545 1.00 64.44 H new ATOM 3302 N MET B 97 18.778 2.434 -1.345 1.00 70.13 N ATOM 3303 CA MET B 97 18.167 2.948 -2.538 1.00 60.54 C ATOM 3304 C MET B 97 17.307 4.165 -2.229 1.00 74.15 C ATOM 3305 O MET B 97 16.543 4.608 -3.089 1.00 51.11 O ATOM 3306 CB MET B 97 17.287 1.891 -3.242 1.00 63.51 C ATOM 3307 CG MET B 97 18.005 0.639 -3.700 1.00 71.12 C ATOM 3308 SD MET B 97 17.026 -0.331 -4.881 1.00 54.51 S ATOM 3309 CE MET B 97 15.519 -0.677 -4.001 1.00 55.15 C ATOM 0 H MET B 97 18.140 1.918 -0.739 1.00 70.13 H new ATOM 0 HA MET B 97 18.983 3.227 -3.204 1.00 60.54 H new ATOM 0 HB2 MET B 97 16.486 1.600 -2.562 1.00 63.51 H new ATOM 0 HB3 MET B 97 16.816 2.355 -4.109 1.00 63.51 H new ATOM 0 HG2 MET B 97 18.954 0.916 -4.160 1.00 71.12 H new ATOM 0 HG3 MET B 97 18.240 0.021 -2.833 1.00 71.12 H new ATOM 0 HE1 MET B 97 14.884 -1.323 -4.607 1.00 55.15 H new ATOM 0 HE2 MET B 97 15.753 -1.176 -3.061 1.00 55.15 H new ATOM 0 HE3 MET B 97 14.995 0.257 -3.795 1.00 55.15 H new ATOM 3319 N ASP B 98 17.408 4.695 -0.992 1.00 52.32 N ATOM 3320 CA ASP B 98 16.570 5.834 -0.554 1.00 10.43 C ATOM 3321 C ASP B 98 16.442 6.970 -1.573 1.00 12.13 C ATOM 3322 O ASP B 98 15.356 7.457 -1.757 1.00 2.10 O ATOM 3323 CB ASP B 98 16.890 6.329 0.866 1.00 72.14 C ATOM 3324 CG ASP B 98 18.125 7.171 0.994 1.00 40.10 C ATOM 3325 OD1 ASP B 98 19.234 6.710 0.670 1.00 20.13 O ATOM 3326 OD2 ASP B 98 17.999 8.322 1.426 1.00 11.13 O ATOM 0 H ASP B 98 18.057 4.356 -0.282 1.00 52.32 H new ATOM 0 HA ASP B 98 15.569 5.407 -0.499 1.00 10.43 H new ATOM 0 HB2 ASP B 98 16.040 6.905 1.231 1.00 72.14 H new ATOM 0 HB3 ASP B 98 16.993 5.463 1.519 1.00 72.14 H new ATOM 3331 N GLU B 99 17.532 7.414 -2.218 1.00 31.12 N ATOM 3332 CA GLU B 99 17.390 8.307 -3.377 1.00 20.33 C ATOM 3333 C GLU B 99 17.790 7.618 -4.692 1.00 25.33 C ATOM 3334 O GLU B 99 18.878 7.862 -5.234 1.00 22.33 O ATOM 3335 CB GLU B 99 18.108 9.682 -3.259 1.00 74.42 C ATOM 3336 CG GLU B 99 17.366 10.807 -2.514 1.00 2.13 C ATOM 3337 CD GLU B 99 17.178 10.610 -1.034 1.00 73.20 C ATOM 3338 OE1 GLU B 99 18.104 10.962 -0.264 1.00 23.20 O ATOM 3339 OE2 GLU B 99 16.092 10.185 -0.609 1.00 12.21 O ATOM 0 H GLU B 99 18.492 7.179 -1.967 1.00 31.12 H new ATOM 0 HA GLU B 99 16.323 8.531 -3.389 1.00 20.33 H new ATOM 0 HB2 GLU B 99 19.064 9.521 -2.760 1.00 74.42 H new ATOM 0 HB3 GLU B 99 18.329 10.034 -4.267 1.00 74.42 H new ATOM 0 HG2 GLU B 99 17.910 11.738 -2.670 1.00 2.13 H new ATOM 0 HG3 GLU B 99 16.384 10.931 -2.971 1.00 2.13 H new ATOM 3346 N THR B 100 16.969 6.699 -5.134 1.00 21.11 N ATOM 3347 CA THR B 100 17.165 6.060 -6.434 1.00 21.35 C ATOM 3348 C THR B 100 16.033 6.369 -7.387 1.00 1.11 C ATOM 3349 O THR B 100 14.988 6.882 -6.979 1.00 53.23 O ATOM 3350 CB THR B 100 17.387 4.536 -6.341 1.00 32.03 C ATOM 3351 OG1 THR B 100 16.308 3.901 -5.637 1.00 30.10 O ATOM 3352 CG2 THR B 100 18.718 4.224 -5.677 1.00 14.21 C ATOM 0 H THR B 100 16.153 6.368 -4.619 1.00 21.11 H new ATOM 0 HA THR B 100 18.084 6.491 -6.831 1.00 21.35 H new ATOM 0 HB THR B 100 17.410 4.138 -7.355 1.00 32.03 H new ATOM 0 HG1 THR B 100 16.197 4.323 -4.759 1.00 30.10 H new ATOM 0 HG21 THR B 100 18.853 3.144 -5.622 1.00 14.21 H new ATOM 0 HG22 THR B 100 19.527 4.662 -6.261 1.00 14.21 H new ATOM 0 HG23 THR B 100 18.729 4.642 -4.671 1.00 14.21 H new ATOM 3360 N VAL B 101 16.220 6.044 -8.644 1.00 14.22 N ATOM 3361 CA VAL B 101 15.231 6.336 -9.632 1.00 51.45 C ATOM 3362 C VAL B 101 14.426 5.074 -9.937 1.00 24.14 C ATOM 3363 O VAL B 101 14.973 3.962 -10.022 1.00 22.33 O ATOM 3364 CB VAL B 101 15.860 6.951 -10.927 1.00 72.35 C ATOM 3365 CG1 VAL B 101 16.841 6.004 -11.567 1.00 74.24 C ATOM 3366 CG2 VAL B 101 14.790 7.381 -11.921 1.00 11.14 C ATOM 0 H VAL B 101 17.054 5.576 -8.999 1.00 14.22 H new ATOM 0 HA VAL B 101 14.557 7.094 -9.234 1.00 51.45 H new ATOM 0 HB VAL B 101 16.407 7.844 -10.624 1.00 72.35 H new ATOM 0 HG11 VAL B 101 17.258 6.463 -12.463 1.00 74.24 H new ATOM 0 HG12 VAL B 101 17.645 5.783 -10.865 1.00 74.24 H new ATOM 0 HG13 VAL B 101 16.331 5.079 -11.837 1.00 74.24 H new ATOM 0 HG21 VAL B 101 15.265 7.803 -12.807 1.00 11.14 H new ATOM 0 HG22 VAL B 101 14.191 6.517 -12.207 1.00 11.14 H new ATOM 0 HG23 VAL B 101 14.147 8.132 -11.461 1.00 11.14 H new ATOM 3376 N PHE B 102 13.150 5.245 -10.027 1.00 11.42 N ATOM 3377 CA PHE B 102 12.223 4.204 -10.285 1.00 61.15 C ATOM 3378 C PHE B 102 11.275 4.679 -11.389 1.00 54.10 C ATOM 3379 O PHE B 102 10.476 5.608 -11.181 1.00 3.30 O ATOM 3380 CB PHE B 102 11.465 3.944 -8.989 1.00 11.31 C ATOM 3381 CG PHE B 102 10.516 2.792 -8.985 1.00 32.21 C ATOM 3382 CD1 PHE B 102 9.201 2.954 -9.370 1.00 53.11 C ATOM 3383 CD2 PHE B 102 10.939 1.548 -8.562 1.00 52.42 C ATOM 3384 CE1 PHE B 102 8.327 1.894 -9.337 1.00 30.14 C ATOM 3385 CE2 PHE B 102 10.073 0.484 -8.529 1.00 14.03 C ATOM 3386 CZ PHE B 102 8.765 0.653 -8.915 1.00 33.02 C ATOM 0 H PHE B 102 12.708 6.158 -9.917 1.00 11.42 H new ATOM 0 HA PHE B 102 12.710 3.285 -10.612 1.00 61.15 H new ATOM 0 HB2 PHE B 102 12.194 3.786 -8.194 1.00 11.31 H new ATOM 0 HB3 PHE B 102 10.907 4.845 -8.735 1.00 11.31 H new ATOM 0 HD1 PHE B 102 8.855 3.922 -9.700 1.00 53.11 H new ATOM 0 HD2 PHE B 102 11.965 1.410 -8.253 1.00 52.42 H new ATOM 0 HE1 PHE B 102 7.300 2.031 -9.640 1.00 30.14 H new ATOM 0 HE2 PHE B 102 10.419 -0.485 -8.200 1.00 14.03 H new ATOM 0 HZ PHE B 102 8.081 -0.182 -8.889 1.00 33.02 H new ATOM 3396 N ARG B 103 11.414 4.079 -12.560 1.00 3.31 N ATOM 3397 CA ARG B 103 10.622 4.370 -13.767 1.00 43.34 C ATOM 3398 C ARG B 103 10.556 5.898 -14.089 1.00 65.22 C ATOM 3399 O ARG B 103 9.590 6.398 -14.664 1.00 40.43 O ATOM 3400 CB ARG B 103 9.229 3.761 -13.594 1.00 54.25 C ATOM 3401 CG ARG B 103 8.460 3.641 -14.884 1.00 43.13 C ATOM 3402 CD ARG B 103 7.123 3.008 -14.663 1.00 54.14 C ATOM 3403 NE ARG B 103 6.403 2.843 -15.921 1.00 60.23 N ATOM 3404 CZ ARG B 103 5.323 3.534 -16.256 1.00 62.23 C ATOM 3405 NH1 ARG B 103 4.985 4.590 -15.536 1.00 1.04 N ATOM 3406 NH2 ARG B 103 4.641 3.229 -17.351 1.00 25.41 N ATOM 0 H ARG B 103 12.106 3.345 -12.713 1.00 3.31 H new ATOM 0 HA ARG B 103 11.114 3.917 -14.628 1.00 43.34 H new ATOM 0 HB2 ARG B 103 9.327 2.772 -13.145 1.00 54.25 H new ATOM 0 HB3 ARG B 103 8.658 4.373 -12.896 1.00 54.25 H new ATOM 0 HG2 ARG B 103 8.328 4.629 -15.325 1.00 43.13 H new ATOM 0 HG3 ARG B 103 9.032 3.048 -15.597 1.00 43.13 H new ATOM 0 HD2 ARG B 103 7.252 2.037 -14.185 1.00 54.14 H new ATOM 0 HD3 ARG B 103 6.535 3.623 -13.982 1.00 54.14 H new ATOM 0 HE ARG B 103 6.753 2.152 -16.585 1.00 60.23 H new ATOM 0 HH11 ARG B 103 5.553 4.864 -14.734 1.00 1.04 H new ATOM 0 HH12 ARG B 103 4.156 5.131 -15.782 1.00 1.04 H new ATOM 0 HH21 ARG B 103 4.946 2.457 -17.944 1.00 25.41 H new ATOM 0 HH22 ARG B 103 3.811 3.766 -17.601 1.00 25.41 H new ATOM 3420 N GLY B 104 11.621 6.600 -13.756 1.00 21.01 N ATOM 3421 CA GLY B 104 11.724 8.010 -14.113 1.00 23.44 C ATOM 3422 C GLY B 104 11.558 8.953 -12.934 1.00 2.15 C ATOM 3423 O GLY B 104 11.798 10.150 -13.060 1.00 12.30 O ATOM 0 H GLY B 104 12.421 6.227 -13.245 1.00 21.01 H new ATOM 0 HA2 GLY B 104 12.695 8.188 -14.575 1.00 23.44 H new ATOM 0 HA3 GLY B 104 10.967 8.242 -14.862 1.00 23.44 H new ATOM 3427 N ARG B 105 11.157 8.429 -11.801 1.00 40.25 N ATOM 3428 CA ARG B 105 10.993 9.246 -10.602 1.00 53.34 C ATOM 3429 C ARG B 105 11.951 8.798 -9.547 1.00 24.23 C ATOM 3430 O ARG B 105 12.322 7.651 -9.516 1.00 24.11 O ATOM 3431 CB ARG B 105 9.597 9.120 -10.018 1.00 1.24 C ATOM 3432 CG ARG B 105 8.474 9.661 -10.853 1.00 5.54 C ATOM 3433 CD ARG B 105 7.186 9.528 -10.079 1.00 23.32 C ATOM 3434 NE ARG B 105 6.053 10.144 -10.747 1.00 44.10 N ATOM 3435 CZ ARG B 105 4.895 10.410 -10.146 1.00 52.12 C ATOM 3436 NH1 ARG B 105 4.721 10.109 -8.858 1.00 2.51 N ATOM 3437 NH2 ARG B 105 3.914 10.978 -10.826 1.00 42.10 N ATOM 0 H ARG B 105 10.936 7.441 -11.674 1.00 40.25 H new ATOM 0 HA ARG B 105 11.175 10.279 -10.898 1.00 53.34 H new ATOM 0 HB2 ARG B 105 9.401 8.065 -9.824 1.00 1.24 H new ATOM 0 HB3 ARG B 105 9.582 9.629 -9.054 1.00 1.24 H new ATOM 0 HG2 ARG B 105 8.658 10.706 -11.102 1.00 5.54 H new ATOM 0 HG3 ARG B 105 8.407 9.116 -11.794 1.00 5.54 H new ATOM 0 HD2 ARG B 105 6.974 8.471 -9.917 1.00 23.32 H new ATOM 0 HD3 ARG B 105 7.311 9.982 -9.096 1.00 23.32 H new ATOM 0 HE ARG B 105 6.150 10.387 -11.733 1.00 44.10 H new ATOM 0 HH11 ARG B 105 5.477 9.673 -8.329 1.00 2.51 H new ATOM 0 HH12 ARG B 105 3.832 10.315 -8.402 1.00 2.51 H new ATOM 0 HH21 ARG B 105 4.045 11.212 -11.810 1.00 42.10 H new ATOM 0 HH22 ARG B 105 3.027 11.182 -10.367 1.00 42.10 H new ATOM 3451 N THR B 106 12.347 9.680 -8.688 1.00 64.20 N ATOM 3452 CA THR B 106 13.163 9.292 -7.580 1.00 42.45 C ATOM 3453 C THR B 106 12.242 8.854 -6.455 1.00 75.12 C ATOM 3454 O THR B 106 11.404 9.633 -5.996 1.00 53.14 O ATOM 3455 CB THR B 106 14.064 10.458 -7.110 1.00 34.33 C ATOM 3456 OG1 THR B 106 14.910 10.861 -8.196 1.00 31.34 O ATOM 3457 CG2 THR B 106 14.931 10.045 -5.928 1.00 43.24 C ATOM 0 H THR B 106 12.120 10.674 -8.730 1.00 64.20 H new ATOM 0 HA THR B 106 13.821 8.476 -7.879 1.00 42.45 H new ATOM 0 HB THR B 106 13.425 11.283 -6.794 1.00 34.33 H new ATOM 0 HG1 THR B 106 15.483 11.601 -7.907 1.00 31.34 H new ATOM 0 HG21 THR B 106 15.553 10.886 -5.621 1.00 43.24 H new ATOM 0 HG22 THR B 106 14.293 9.743 -5.097 1.00 43.24 H new ATOM 0 HG23 THR B 106 15.568 9.210 -6.219 1.00 43.24 H new ATOM 3465 N ILE B 107 12.367 7.627 -6.024 1.00 2.55 N ATOM 3466 CA ILE B 107 11.509 7.150 -4.965 1.00 34.12 C ATOM 3467 C ILE B 107 12.252 7.136 -3.660 1.00 62.44 C ATOM 3468 O ILE B 107 13.465 7.274 -3.653 1.00 50.31 O ATOM 3469 CB ILE B 107 10.814 5.768 -5.311 1.00 35.22 C ATOM 3470 CG1 ILE B 107 11.803 4.598 -5.602 1.00 23.12 C ATOM 3471 CG2 ILE B 107 9.848 5.941 -6.477 1.00 0.01 C ATOM 3472 CD1 ILE B 107 12.412 3.920 -4.382 1.00 10.21 C ATOM 0 H ILE B 107 13.040 6.948 -6.380 1.00 2.55 H new ATOM 0 HA ILE B 107 10.681 7.851 -4.860 1.00 34.12 H new ATOM 0 HB ILE B 107 10.274 5.479 -4.409 1.00 35.22 H new ATOM 0 HG12 ILE B 107 11.279 3.843 -6.189 1.00 23.12 H new ATOM 0 HG13 ILE B 107 12.613 4.979 -6.223 1.00 23.12 H new ATOM 0 HG21 ILE B 107 9.377 4.985 -6.705 1.00 0.01 H new ATOM 0 HG22 ILE B 107 9.081 6.668 -6.209 1.00 0.01 H new ATOM 0 HG23 ILE B 107 10.393 6.294 -7.352 1.00 0.01 H new ATOM 0 HD11 ILE B 107 13.082 3.123 -4.705 1.00 10.21 H new ATOM 0 HD12 ILE B 107 12.972 4.652 -3.801 1.00 10.21 H new ATOM 0 HD13 ILE B 107 11.618 3.498 -3.766 1.00 10.21 H new ATOM 3484 N LYS B 108 11.548 6.986 -2.570 1.00 72.51 N ATOM 3485 CA LYS B 108 12.152 7.114 -1.252 1.00 65.30 C ATOM 3486 C LYS B 108 11.878 5.880 -0.448 1.00 24.54 C ATOM 3487 O LYS B 108 10.752 5.421 -0.413 1.00 21.45 O ATOM 3488 CB LYS B 108 11.574 8.344 -0.508 1.00 71.40 C ATOM 3489 CG LYS B 108 12.135 8.570 0.910 1.00 22.14 C ATOM 3490 CD LYS B 108 13.619 8.886 0.878 1.00 70.35 C ATOM 3491 CE LYS B 108 14.209 9.072 2.266 1.00 33.55 C ATOM 3492 NZ LYS B 108 15.614 9.570 2.202 1.00 60.33 N ATOM 0 H LYS B 108 10.550 6.774 -2.559 1.00 72.51 H new ATOM 0 HA LYS B 108 13.227 7.244 -1.375 1.00 65.30 H new ATOM 0 HB2 LYS B 108 11.767 9.235 -1.105 1.00 71.40 H new ATOM 0 HB3 LYS B 108 10.492 8.234 -0.441 1.00 71.40 H new ATOM 0 HG2 LYS B 108 11.598 9.389 1.388 1.00 22.14 H new ATOM 0 HG3 LYS B 108 11.965 7.680 1.516 1.00 22.14 H new ATOM 0 HD2 LYS B 108 14.147 8.080 0.368 1.00 70.35 H new ATOM 0 HD3 LYS B 108 13.781 9.792 0.294 1.00 70.35 H new ATOM 0 HE2 LYS B 108 13.598 9.776 2.831 1.00 33.55 H new ATOM 0 HE3 LYS B 108 14.182 8.124 2.804 1.00 33.55 H new ATOM 0 HZ1 LYS B 108 15.790 10.216 2.998 1.00 60.33 H new ATOM 0 HZ2 LYS B 108 16.270 8.765 2.257 1.00 60.33 H new ATOM 0 HZ3 LYS B 108 15.762 10.077 1.306 1.00 60.33 H new ATOM 3506 N VAL B 109 12.901 5.348 0.190 1.00 54.22 N ATOM 3507 CA VAL B 109 12.752 4.206 1.065 1.00 10.05 C ATOM 3508 C VAL B 109 13.343 4.478 2.427 1.00 22.02 C ATOM 3509 O VAL B 109 14.480 4.934 2.551 1.00 25.24 O ATOM 3510 CB VAL B 109 13.223 2.865 0.477 1.00 65.15 C ATOM 3511 CG1 VAL B 109 12.288 2.436 -0.610 1.00 44.23 C ATOM 3512 CG2 VAL B 109 14.600 2.976 -0.090 1.00 60.23 C ATOM 0 H VAL B 109 13.857 5.696 0.116 1.00 54.22 H new ATOM 0 HA VAL B 109 11.676 4.074 1.179 1.00 10.05 H new ATOM 0 HB VAL B 109 13.233 2.131 1.283 1.00 65.15 H new ATOM 0 HG11 VAL B 109 12.624 1.486 -1.025 1.00 44.23 H new ATOM 0 HG12 VAL B 109 11.284 2.319 -0.201 1.00 44.23 H new ATOM 0 HG13 VAL B 109 12.274 3.191 -1.397 1.00 44.23 H new ATOM 0 HG21 VAL B 109 14.904 2.012 -0.498 1.00 60.23 H new ATOM 0 HG22 VAL B 109 14.608 3.724 -0.883 1.00 60.23 H new ATOM 0 HG23 VAL B 109 15.294 3.273 0.696 1.00 60.23 H new ATOM 3522 N LEU B 110 12.563 4.228 3.426 1.00 44.44 N ATOM 3523 CA LEU B 110 12.847 4.613 4.792 1.00 0.15 C ATOM 3524 C LEU B 110 12.237 3.507 5.691 1.00 13.42 C ATOM 3525 O LEU B 110 11.118 3.092 5.430 1.00 63.11 O ATOM 3526 CB LEU B 110 12.063 5.929 4.870 1.00 20.00 C ATOM 3527 CG LEU B 110 11.974 6.883 6.042 1.00 63.31 C ATOM 3528 CD1 LEU B 110 10.845 7.831 5.713 1.00 42.53 C ATOM 3529 CD2 LEU B 110 11.732 6.213 7.371 1.00 50.44 C ATOM 0 H LEU B 110 11.677 3.734 3.323 1.00 44.44 H new ATOM 0 HA LEU B 110 13.890 4.728 5.088 1.00 0.15 H new ATOM 0 HB2 LEU B 110 12.430 6.531 4.038 1.00 20.00 H new ATOM 0 HB3 LEU B 110 11.032 5.662 4.639 1.00 20.00 H new ATOM 0 HG LEU B 110 12.932 7.387 6.167 1.00 63.31 H new ATOM 0 HD11 LEU B 110 10.726 8.551 6.523 1.00 42.53 H new ATOM 0 HD12 LEU B 110 11.072 8.360 4.788 1.00 42.53 H new ATOM 0 HD13 LEU B 110 9.920 7.267 5.590 1.00 42.53 H new ATOM 0 HD21 LEU B 110 11.682 6.968 8.155 1.00 50.44 H new ATOM 0 HD22 LEU B 110 10.791 5.664 7.336 1.00 50.44 H new ATOM 0 HD23 LEU B 110 12.548 5.522 7.584 1.00 50.44 H new ATOM 3541 N PRO B 111 12.961 2.983 6.710 1.00 1.33 N ATOM 3542 CA PRO B 111 12.426 1.929 7.610 1.00 62.03 C ATOM 3543 C PRO B 111 11.203 2.389 8.414 1.00 62.44 C ATOM 3544 O PRO B 111 11.130 3.529 8.876 1.00 4.11 O ATOM 3545 CB PRO B 111 13.596 1.631 8.558 1.00 4.33 C ATOM 3546 CG PRO B 111 14.796 2.119 7.833 1.00 31.51 C ATOM 3547 CD PRO B 111 14.343 3.333 7.071 1.00 22.22 C ATOM 0 HA PRO B 111 12.081 1.065 7.042 1.00 62.03 H new ATOM 0 HB2 PRO B 111 13.474 2.143 9.513 1.00 4.33 H new ATOM 0 HB3 PRO B 111 13.669 0.565 8.775 1.00 4.33 H new ATOM 0 HG2 PRO B 111 15.598 2.369 8.527 1.00 31.51 H new ATOM 0 HG3 PRO B 111 15.184 1.355 7.159 1.00 31.51 H new ATOM 0 HD2 PRO B 111 14.387 4.235 7.681 1.00 22.22 H new ATOM 0 HD3 PRO B 111 14.960 3.513 6.190 1.00 22.22 H new ATOM 3555 N LYS B 112 10.259 1.499 8.585 1.00 65.44 N ATOM 3556 CA LYS B 112 9.062 1.802 9.308 1.00 44.01 C ATOM 3557 C LYS B 112 8.946 0.870 10.482 1.00 44.31 C ATOM 3558 O LYS B 112 9.326 -0.297 10.379 1.00 14.20 O ATOM 3559 CB LYS B 112 7.859 1.577 8.443 1.00 42.22 C ATOM 3560 CG LYS B 112 6.611 2.203 9.049 1.00 2.14 C ATOM 3561 CD LYS B 112 5.393 1.832 8.291 1.00 4.41 C ATOM 3562 CE LYS B 112 5.117 0.353 8.409 1.00 24.21 C ATOM 3563 NZ LYS B 112 4.748 -0.043 9.795 1.00 41.42 N ATOM 0 H LYS B 112 10.304 0.546 8.225 1.00 65.44 H new ATOM 0 HA LYS B 112 9.108 2.843 9.628 1.00 44.01 H new ATOM 0 HB2 LYS B 112 8.036 2.000 7.454 1.00 42.22 H new ATOM 0 HB3 LYS B 112 7.702 0.507 8.308 1.00 42.22 H new ATOM 0 HG2 LYS B 112 6.508 1.881 10.085 1.00 2.14 H new ATOM 0 HG3 LYS B 112 6.716 3.288 9.061 1.00 2.14 H new ATOM 0 HD2 LYS B 112 4.540 2.397 8.667 1.00 4.41 H new ATOM 0 HD3 LYS B 112 5.516 2.101 7.242 1.00 4.41 H new ATOM 0 HE2 LYS B 112 4.310 0.081 7.729 1.00 24.21 H new ATOM 0 HE3 LYS B 112 6.000 -0.205 8.097 1.00 24.21 H new ATOM 0 HZ1 LYS B 112 5.184 -0.960 10.022 1.00 41.42 H new ATOM 0 HZ2 LYS B 112 5.088 0.677 10.464 1.00 41.42 H new ATOM 0 HZ3 LYS B 112 3.714 -0.123 9.869 1.00 41.42 H new ATOM 3577 N ARG B 113 8.422 1.351 11.580 1.00 64.24 N ATOM 3578 CA ARG B 113 8.197 0.510 12.718 1.00 61.54 C ATOM 3579 C ARG B 113 6.665 0.254 12.806 1.00 33.41 C ATOM 3580 O ARG B 113 5.882 0.980 12.160 1.00 24.13 O ATOM 3581 CB ARG B 113 8.760 1.156 14.010 1.00 44.24 C ATOM 3582 CG ARG B 113 8.807 0.167 15.134 1.00 72.21 C ATOM 3583 CD ARG B 113 9.358 0.661 16.440 1.00 1.21 C ATOM 3584 NE ARG B 113 9.418 -0.478 17.382 1.00 71.21 N ATOM 3585 CZ ARG B 113 9.464 -0.411 18.715 1.00 32.21 C ATOM 3586 NH1 ARG B 113 9.458 0.763 19.337 1.00 43.13 N ATOM 3587 NH2 ARG B 113 9.510 -1.532 19.433 1.00 1.24 N ATOM 0 H ARG B 113 8.144 2.324 11.706 1.00 64.24 H new ATOM 0 HA ARG B 113 8.722 -0.439 12.610 1.00 61.54 H new ATOM 0 HB2 ARG B 113 9.761 1.542 13.820 1.00 44.24 H new ATOM 0 HB3 ARG B 113 8.139 2.005 14.295 1.00 44.24 H new ATOM 0 HG2 ARG B 113 7.795 -0.200 15.308 1.00 72.21 H new ATOM 0 HG3 ARG B 113 9.405 -0.686 14.813 1.00 72.21 H new ATOM 0 HD2 ARG B 113 10.351 1.087 16.296 1.00 1.21 H new ATOM 0 HD3 ARG B 113 8.727 1.453 16.843 1.00 1.21 H new ATOM 0 HE ARG B 113 9.425 -1.411 16.971 1.00 71.21 H new ATOM 0 HH11 ARG B 113 9.418 1.627 18.796 1.00 43.13 H new ATOM 0 HH12 ARG B 113 9.493 0.801 20.356 1.00 43.13 H new ATOM 0 HH21 ARG B 113 9.510 -2.438 18.965 1.00 1.24 H new ATOM 0 HH22 ARG B 113 9.545 -1.484 20.451 1.00 1.24 H new ATOM 3601 N THR B 114 6.245 -0.752 13.543 1.00 4.42 N ATOM 3602 CA THR B 114 4.834 -1.129 13.628 1.00 34.35 C ATOM 3603 C THR B 114 4.372 -1.394 15.102 1.00 44.33 C ATOM 3604 O THR B 114 3.288 -0.961 15.519 1.00 41.52 O ATOM 3605 CB THR B 114 4.593 -2.422 12.791 1.00 72.45 C ATOM 3606 OG1 THR B 114 5.042 -2.222 11.432 1.00 35.30 O ATOM 3607 CG2 THR B 114 3.116 -2.797 12.777 1.00 21.12 C ATOM 0 H THR B 114 6.865 -1.337 14.103 1.00 4.42 H new ATOM 0 HA THR B 114 4.253 -0.293 13.238 1.00 34.35 H new ATOM 0 HB THR B 114 5.158 -3.231 13.254 1.00 72.45 H new ATOM 0 HG1 THR B 114 4.889 -3.039 10.913 1.00 35.30 H new ATOM 0 HG21 THR B 114 2.976 -3.702 12.186 1.00 21.12 H new ATOM 0 HG22 THR B 114 2.776 -2.973 13.797 1.00 21.12 H new ATOM 0 HG23 THR B 114 2.538 -1.984 12.337 1.00 21.12 H new ATOM 3615 N ASN B 115 5.202 -2.063 15.860 1.00 42.42 N ATOM 3616 CA ASN B 115 4.879 -2.512 17.213 1.00 71.34 C ATOM 3617 C ASN B 115 5.248 -1.438 18.225 1.00 72.30 C ATOM 3618 O ASN B 115 6.303 -0.836 18.148 1.00 0.33 O ATOM 3619 CB ASN B 115 5.667 -3.836 17.502 1.00 51.23 C ATOM 3620 CG ASN B 115 5.340 -4.600 18.823 1.00 14.33 C ATOM 3621 OD1 ASN B 115 4.988 -3.923 19.890 1.00 55.45 O flip ATOM 3622 ND2 ASN B 115 5.443 -5.817 18.861 1.00 22.44 N flip ATOM 0 H ASN B 115 6.142 -2.322 15.560 1.00 42.42 H new ATOM 0 HA ASN B 115 3.808 -2.699 17.297 1.00 71.34 H new ATOM 0 HB2 ASN B 115 5.495 -4.517 16.669 1.00 51.23 H new ATOM 0 HB3 ASN B 115 6.731 -3.599 17.506 1.00 51.23 H new ATOM 0 HD21 ASN B 115 5.717 -6.332 18.024 1.00 22.44 H new ATOM 0 HD22 ASN B 115 5.254 -6.318 19.729 1.00 22.44 H new ATOM 3629 N MET B 116 4.357 -1.196 19.146 1.00 22.42 N ATOM 3630 CA MET B 116 4.587 -0.285 20.246 1.00 41.12 C ATOM 3631 C MET B 116 3.874 -0.890 21.446 1.00 74.44 C ATOM 3632 O MET B 116 3.118 -1.843 21.243 1.00 30.42 O ATOM 3633 CB MET B 116 4.041 1.131 19.925 1.00 24.34 C ATOM 3634 CG MET B 116 2.527 1.232 19.772 1.00 52.40 C ATOM 3635 SD MET B 116 1.993 2.931 19.472 1.00 2.41 S ATOM 3636 CE MET B 116 0.218 2.731 19.401 1.00 22.04 C ATOM 0 H MET B 116 3.434 -1.630 19.159 1.00 22.42 H new ATOM 0 HA MET B 116 5.652 -0.160 20.440 1.00 41.12 H new ATOM 0 HB2 MET B 116 4.355 1.811 20.717 1.00 24.34 H new ATOM 0 HB3 MET B 116 4.506 1.480 19.003 1.00 24.34 H new ATOM 0 HG2 MET B 116 2.202 0.598 18.947 1.00 52.40 H new ATOM 0 HG3 MET B 116 2.045 0.854 20.673 1.00 52.40 H new ATOM 0 HE1 MET B 116 -0.250 3.699 19.221 1.00 22.04 H new ATOM 0 HE2 MET B 116 -0.039 2.047 18.592 1.00 22.04 H new ATOM 0 HE3 MET B 116 -0.141 2.325 20.347 1.00 22.04 H new ATOM 3646 N PRO B 117 4.107 -0.394 22.699 1.00 73.13 N ATOM 3647 CA PRO B 117 3.428 -0.924 23.908 1.00 41.23 C ATOM 3648 C PRO B 117 1.911 -1.059 23.714 1.00 20.03 C ATOM 3649 O PRO B 117 1.302 -2.042 24.142 1.00 31.45 O ATOM 3650 CB PRO B 117 3.742 0.131 24.968 1.00 0.14 C ATOM 3651 CG PRO B 117 5.070 0.666 24.561 1.00 2.20 C ATOM 3652 CD PRO B 117 5.063 0.687 23.053 1.00 24.13 C ATOM 0 HA PRO B 117 3.768 -1.927 24.166 1.00 41.23 H new ATOM 0 HB2 PRO B 117 2.985 0.915 24.988 1.00 0.14 H new ATOM 0 HB3 PRO B 117 3.776 -0.304 25.967 1.00 0.14 H new ATOM 0 HG2 PRO B 117 5.229 1.666 24.965 1.00 2.20 H new ATOM 0 HG3 PRO B 117 5.877 0.038 24.939 1.00 2.20 H new ATOM 0 HD2 PRO B 117 4.739 1.653 22.666 1.00 24.13 H new ATOM 0 HD3 PRO B 117 6.055 0.496 22.644 1.00 24.13 H new ATOM 3660 N GLY B 118 1.321 -0.071 23.063 1.00 61.42 N ATOM 3661 CA GLY B 118 -0.080 -0.117 22.751 1.00 52.43 C ATOM 3662 C GLY B 118 -0.931 0.209 23.938 1.00 65.13 C ATOM 3663 O GLY B 118 -0.567 1.078 24.741 1.00 21.14 O ATOM 0 H GLY B 118 1.800 0.771 22.743 1.00 61.42 H new ATOM 0 HA2 GLY B 118 -0.295 0.586 21.947 1.00 52.43 H new ATOM 0 HA3 GLY B 118 -0.337 -1.110 22.383 1.00 52.43 H new ATOM 3667 N ILE B 119 -2.089 -0.464 24.030 1.00 31.33 N ATOM 3668 CA ILE B 119 -3.051 -0.313 25.142 1.00 44.43 C ATOM 3669 C ILE B 119 -3.727 1.093 25.083 1.00 5.52 C ATOM 3670 O ILE B 119 -4.563 1.442 25.915 1.00 75.15 O ATOM 3671 CB ILE B 119 -2.353 -0.581 26.541 1.00 65.12 C ATOM 3672 CG1 ILE B 119 -1.659 -1.962 26.522 1.00 15.43 C ATOM 3673 CG2 ILE B 119 -3.361 -0.534 27.700 1.00 41.12 C ATOM 3674 CD1 ILE B 119 -0.908 -2.308 27.796 1.00 14.33 C ATOM 0 H ILE B 119 -2.391 -1.138 23.327 1.00 31.33 H new ATOM 0 HA ILE B 119 -3.835 -1.063 25.033 1.00 44.43 H new ATOM 0 HB ILE B 119 -1.618 0.208 26.700 1.00 65.12 H new ATOM 0 HG12 ILE B 119 -2.411 -2.730 26.339 1.00 15.43 H new ATOM 0 HG13 ILE B 119 -0.962 -1.992 25.685 1.00 15.43 H new ATOM 0 HG21 ILE B 119 -2.843 -0.722 28.640 1.00 41.12 H new ATOM 0 HG22 ILE B 119 -3.830 0.449 27.735 1.00 41.12 H new ATOM 0 HG23 ILE B 119 -4.126 -1.296 27.548 1.00 41.12 H new ATOM 0 HD11 ILE B 119 -0.453 -3.293 27.694 1.00 14.33 H new ATOM 0 HD12 ILE B 119 -0.130 -1.565 27.973 1.00 14.33 H new ATOM 0 HD13 ILE B 119 -1.601 -2.314 28.637 1.00 14.33 H new ATOM 3686 N SER B 120 -3.385 1.843 24.025 1.00 64.32 N ATOM 3687 CA SER B 120 -3.844 3.200 23.805 1.00 2.35 C ATOM 3688 C SER B 120 -3.335 4.140 24.910 1.00 33.43 C ATOM 3689 O SER B 120 -3.893 4.221 26.008 1.00 33.11 O ATOM 3690 CB SER B 120 -5.364 3.245 23.627 1.00 23.24 C ATOM 3691 OG SER B 120 -5.743 2.384 22.546 1.00 13.14 O ATOM 0 H SER B 120 -2.767 1.504 23.288 1.00 64.32 H new ATOM 0 HA SER B 120 -3.417 3.566 22.871 1.00 2.35 H new ATOM 0 HB2 SER B 120 -5.858 2.931 24.547 1.00 23.24 H new ATOM 0 HB3 SER B 120 -5.687 4.266 23.424 1.00 23.24 H new ATOM 0 HG SER B 120 -6.716 2.411 22.432 1.00 13.14 H new ATOM 3697 N SER B 121 -2.246 4.817 24.613 1.00 55.15 N ATOM 3698 CA SER B 121 -1.587 5.677 25.551 1.00 13.32 C ATOM 3699 C SER B 121 -2.369 6.956 25.878 1.00 11.03 C ATOM 3700 O SER B 121 -2.228 7.983 25.233 1.00 54.33 O ATOM 3701 CB SER B 121 -0.162 5.943 25.082 1.00 65.30 C ATOM 3702 OG SER B 121 -0.148 6.186 23.678 1.00 72.34 O ATOM 0 H SER B 121 -1.794 4.780 23.699 1.00 55.15 H new ATOM 0 HA SER B 121 -1.543 5.156 26.507 1.00 13.32 H new ATOM 0 HB2 SER B 121 0.250 6.802 25.612 1.00 65.30 H new ATOM 0 HB3 SER B 121 0.473 5.089 25.318 1.00 65.30 H new ATOM 0 HG SER B 121 0.771 6.358 23.385 1.00 72.34 H new ATOM 3708 N THR B 122 -3.250 6.834 26.832 1.00 74.40 N ATOM 3709 CA THR B 122 -4.012 7.945 27.346 1.00 54.13 C ATOM 3710 C THR B 122 -3.804 7.967 28.880 1.00 43.32 C ATOM 3711 O THR B 122 -4.509 8.630 29.647 1.00 65.41 O ATOM 3712 CB THR B 122 -5.509 7.751 26.971 1.00 11.40 C ATOM 3713 OG1 THR B 122 -5.582 7.486 25.552 1.00 1.43 O ATOM 3714 CG2 THR B 122 -6.323 9.014 27.258 1.00 33.14 C ATOM 0 H THR B 122 -3.464 5.945 27.284 1.00 74.40 H new ATOM 0 HA THR B 122 -3.689 8.896 26.922 1.00 54.13 H new ATOM 0 HB THR B 122 -5.915 6.931 27.563 1.00 11.40 H new ATOM 0 HG1 THR B 122 -6.518 7.358 25.291 1.00 1.43 H new ATOM 0 HG21 THR B 122 -7.365 8.845 26.985 1.00 33.14 H new ATOM 0 HG22 THR B 122 -6.260 9.254 28.319 1.00 33.14 H new ATOM 0 HG23 THR B 122 -5.925 9.844 26.674 1.00 33.14 H new ATOM 3722 N ASP B 123 -2.779 7.245 29.289 1.00 52.11 N ATOM 3723 CA ASP B 123 -2.405 7.110 30.678 1.00 34.41 C ATOM 3724 C ASP B 123 -1.014 7.655 30.897 1.00 64.14 C ATOM 3725 O ASP B 123 -0.081 7.305 30.167 1.00 44.15 O ATOM 3726 CB ASP B 123 -2.459 5.639 31.102 1.00 71.13 C ATOM 3727 CG ASP B 123 -1.947 5.418 32.507 1.00 1.20 C ATOM 3728 OD1 ASP B 123 -2.672 5.720 33.467 1.00 41.23 O ATOM 3729 OD2 ASP B 123 -0.822 4.930 32.668 1.00 55.42 O ATOM 0 H ASP B 123 -2.174 6.728 28.652 1.00 52.11 H new ATOM 0 HA ASP B 123 -3.110 7.679 31.284 1.00 34.41 H new ATOM 0 HB2 ASP B 123 -3.487 5.283 31.034 1.00 71.13 H new ATOM 0 HB3 ASP B 123 -1.869 5.043 30.406 1.00 71.13 H new ATOM 3734 N ARG B 124 -0.886 8.537 31.850 1.00 34.51 N ATOM 3735 CA ARG B 124 0.383 9.116 32.195 1.00 11.43 C ATOM 3736 C ARG B 124 0.478 9.122 33.712 1.00 64.34 C ATOM 3737 O ARG B 124 1.131 8.233 34.280 1.00 38.15 O ATOM 3738 CB ARG B 124 0.514 10.542 31.572 1.00 60.34 C ATOM 3739 CG ARG B 124 1.910 11.214 31.659 1.00 5.32 C ATOM 3740 CD ARG B 124 2.315 11.594 33.075 1.00 33.40 C ATOM 3741 NE ARG B 124 3.640 12.223 33.135 1.00 50.12 N ATOM 3742 CZ ARG B 124 4.064 13.002 34.145 1.00 34.10 C ATOM 3743 NH1 ARG B 124 3.252 13.282 35.167 1.00 1.25 N ATOM 3744 NH2 ARG B 124 5.295 13.508 34.128 1.00 23.24 N ATOM 3745 OXT ARG B 124 -0.159 9.989 34.347 1.00 38.15 O ATOM 0 H ARG B 124 -1.666 8.877 32.413 1.00 34.51 H new ATOM 0 HA ARG B 124 1.213 8.537 31.791 1.00 11.43 H new ATOM 0 HB2 ARG B 124 0.230 10.482 30.521 1.00 60.34 H new ATOM 0 HB3 ARG B 124 -0.209 11.195 32.061 1.00 60.34 H new ATOM 0 HG2 ARG B 124 2.657 10.536 31.246 1.00 5.32 H new ATOM 0 HG3 ARG B 124 1.913 12.109 31.037 1.00 5.32 H new ATOM 0 HD2 ARG B 124 1.574 12.277 33.490 1.00 33.40 H new ATOM 0 HD3 ARG B 124 2.312 10.702 33.701 1.00 33.40 H new ATOM 0 HE ARG B 124 4.281 12.058 32.359 1.00 50.12 H new ATOM 0 HH11 ARG B 124 2.305 12.904 35.184 1.00 1.25 H new ATOM 0 HH12 ARG B 124 3.579 13.874 35.931 1.00 1.25 H new ATOM 0 HH21 ARG B 124 5.919 13.305 33.347 1.00 23.24 H new ATOM 0 HH22 ARG B 124 5.614 14.099 34.896 1.00 23.24 H new TER 3759 ARG B 124