USER MOD reduce.3.24.130724 H: found=0, std=0, add=1752, rem=0, adj=63 USER MOD reduce.3.24.130724 removed 1754 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 16 HIS : no HE2:sc= 1.68 K(o=4.7,f=-16!) USER MOD Set 1.2: B 92 SER OG : rot -82:sc= 1.33 USER MOD Set 1.3: B 108 CYS SG : rot 131:sc= 1.71 USER MOD Set 2.1: B 88 MET CE :methyl -140:sc= -0.662 (180deg=-0.711) USER MOD Set 2.2: B 90 THR OG1 : rot -93:sc= 1.01 USER MOD Set 2.3: B 110 ASN : amide:sc= 0.835 K(o=1.2,f=-1.4) USER MOD Set 3.1: A 16 HIS : no HE2:sc= 1.75 K(o=5,f=-15!) USER MOD Set 3.2: A 92 SER OG : rot -80:sc= 1.41 USER MOD Set 3.3: A 108 CYS SG : rot 116:sc= 1.85 USER MOD Set 4.1: A 88 MET CE :methyl 160:sc= -0.0598 (180deg=-0.657) USER MOD Set 4.2: A 90 THR OG1 : rot -90:sc= 0.982 USER MOD Set 4.3: A 110 ASN : amide:sc= 0.531 K(o=1.5,f=-1.6) USER MOD Set 5.1: A 73 SER OG : rot 180:sc= 1.11 USER MOD Set 5.2: A 91 SER OG : rot -69:sc= 0.825 USER MOD Set 6.1: A 70 GLN :FLIP amide:sc= -0.0305 F(o=-1,f=-0.14) USER MOD Set 6.2: B 27 HIS :FLIP no HE2:sc= -0.109 F(o=-2,f=-0.14) USER MOD Set 7.1: A 8 GLN : amide:sc= 0.266 X(o=-0.25,f=-0.67) USER MOD Set 7.2: B 70 GLN : amide:sc= -0.517 X(o=-0.25,f=-0.67) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0691 USER MOD Single : A 14 SER OG : rot -77:sc= 1.11 USER MOD Single : A 17 ASN : amide:sc= 1.96 K(o=2,f=-9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 27 HIS : no HE2:sc= 1.05 K(o=1,f=-4.4!) USER MOD Single : A 29 CYS SG : rot 93:sc= 0.826 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.878 USER MOD Single : A 35 TYR OH : rot -79:sc= 0.134 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.87 K(o=0.87,f=-6.2!) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 0.624 (180deg=-0.111!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 49 CYS SG : rot 73:sc= 0.155 USER MOD Single : A 50 HIS : no HE2:sc= -0.467! C(o=-0.47!,f=-5.3!) USER MOD Single : A 54 GLN : amide:sc= -0.292 K(o=-0.29,f=-0.92) USER MOD Single : A 55 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.6!) USER MOD Single : A 60 SER OG : rot 77:sc= 0.892 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.271 F(o=-1.1,f=-0.27) USER MOD Single : A 63 GLN : amide:sc= -0.0418 X(o=-0.042,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.07) USER MOD Single : A 75 MET CE :methyl 151:sc= -0.444 (180deg=-1.53) USER MOD Single : A 80 SER OG : rot 150:sc= -2.44! USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 1.19 (180deg=1.09) USER MOD Single : A 82 ASN : amide:sc= 1.14 K(o=1.1,f=-0.15) USER MOD Single : A 83 GLN : amide:sc= 0.785 K(o=0.79,f=-5.3!) USER MOD Single : A 94 THR OG1 : rot -144:sc= 0.632 USER MOD Single : A 96 GLN : amide:sc= 0.284 K(o=0.28,f=-0.5) USER MOD Single : A 97 ASN : amide:sc= 0.183 K(o=0.18,f=-1.8) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 102:sc= 1.25 USER MOD Single : A 105 TYR OH : rot -82:sc= 0.997 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -104:sc= 1.21 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.437 F(o=-0.99!,f=-0.44) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.793 K(o=0.79,f=-2.7!) USER MOD Single : B 10 THR OG1 : rot 68:sc= 0.104 USER MOD Single : B 14 SER OG : rot -84:sc= 0.866 USER MOD Single : B 17 ASN : amide:sc= 0.494 K(o=0.49,f=-7.8!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 CYS SG : rot -76:sc= 0.0458 USER MOD Single : B 32 THR OG1 : rot 78:sc= 1.08 USER MOD Single : B 35 TYR OH : rot 77:sc= 0.0943 USER MOD Single : B 36 GLN : amide:sc= -0.043 K(o=-0.043,f=-0.67) USER MOD Single : B 38 GLN : amide:sc= 0.766 K(o=0.77,f=-6.3!) USER MOD Single : B 43 LYS NZ :NH3+ 170:sc= 1.24 (180deg=0.819) USER MOD Single : B 44 ASN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : B 49 CYS SG : rot 71:sc= 0.547 USER MOD Single : B 50 HIS : no HE2:sc= 0.567 K(o=0.57,f=-4.6!) USER MOD Single : B 54 GLN : amide:sc= -1.53! C(o=-1.5!,f=-3.9!) USER MOD Single : B 55 GLN : amide:sc=-0.00215 X(o=-0.0022,f=-0.29) USER MOD Single : B 60 SER OG : rot 86:sc= 1.28 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.0733 F(o=-0.89,f=-0.073) USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 152:sc= 1.67 (180deg=1.1) USER MOD Single : B 73 SER OG : rot 144:sc= 0.538 USER MOD Single : B 75 MET CE :methyl 147:sc= -0.103 (180deg=-1.09) USER MOD Single : B 80 SER OG : rot 166:sc= 1.33 USER MOD Single : B 81 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.854) USER MOD Single : B 82 ASN : amide:sc= -0.0675 K(o=-0.068,f=-1.6!) USER MOD Single : B 83 GLN : amide:sc= 0.114 K(o=0.11,f=-2.2!) USER MOD Single : B 91 SER OG : rot 180:sc= 0 USER MOD Single : B 94 THR OG1 : rot -150:sc= 0.863 USER MOD Single : B 96 GLN : amide:sc= -0.204 K(o=-0.2,f=-5.1!) USER MOD Single : B 97 ASN : amide:sc= -1.93! C(o=-1.9!,f=-5.4!) USER MOD Single : B 99 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot -75:sc= 1.06 USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -96:sc= 2.02 USER MOD Single : B 112 ASN : amide:sc= -0.426! X(o=-0.43!,f=-0.0078) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 7 6.217 -3.203 -13.387 1.00 15.60 N ATOM 2 CA CYS A 7 5.067 -4.125 -13.302 1.00 14.69 C ATOM 3 C CYS A 7 3.996 -3.556 -12.382 1.00 14.16 C ATOM 4 O CYS A 7 4.308 -2.996 -11.331 1.00 14.28 O ATOM 5 CB CYS A 7 5.522 -5.485 -12.770 1.00 14.54 C ATOM 6 SG CYS A 7 6.962 -6.167 -13.623 1.00 15.21 S ATOM 0 HA CYS A 7 4.650 -4.247 -14.302 1.00 14.69 H new ATOM 0 HB2 CYS A 7 5.753 -5.389 -11.709 1.00 14.54 H new ATOM 0 HB3 CYS A 7 4.696 -6.191 -12.854 1.00 14.54 H new ATOM 0 HG CYS A 7 7.272 -7.316 -13.101 1.00 15.21 H new ATOM 12 N GLN A 8 2.742 -3.674 -12.795 1.00 13.72 N ATOM 13 CA GLN A 8 1.626 -3.193 -11.994 1.00 13.30 C ATOM 14 C GLN A 8 1.178 -4.284 -11.023 1.00 12.74 C ATOM 15 O GLN A 8 0.658 -5.319 -11.440 1.00 12.41 O ATOM 16 CB GLN A 8 0.461 -2.780 -12.897 1.00 13.55 C ATOM 17 CG GLN A 8 0.818 -1.689 -13.893 1.00 14.28 C ATOM 18 CD GLN A 8 0.932 -0.320 -13.251 1.00 14.71 C ATOM 19 OE1 GLN A 8 0.240 -0.012 -12.280 1.00 14.83 O ATOM 20 NE2 GLN A 8 1.805 0.511 -13.791 1.00 15.08 N ATOM 0 H GLN A 8 2.472 -4.100 -13.682 1.00 13.72 H new ATOM 0 HA GLN A 8 1.950 -2.321 -11.426 1.00 13.30 H new ATOM 0 HB2 GLN A 8 0.107 -3.655 -13.442 1.00 13.55 H new ATOM 0 HB3 GLN A 8 -0.365 -2.436 -12.275 1.00 13.55 H new ATOM 0 HG2 GLN A 8 1.763 -1.939 -14.375 1.00 14.28 H new ATOM 0 HG3 GLN A 8 0.060 -1.656 -14.676 1.00 14.28 H new ATOM 0 HE21 GLN A 8 2.359 0.217 -14.595 1.00 15.08 H new ATOM 0 HE22 GLN A 8 1.925 1.447 -13.404 1.00 15.08 H new ATOM 29 N PRO A 9 1.397 -4.076 -9.715 1.00 12.79 N ATOM 30 CA PRO A 9 1.023 -5.046 -8.684 1.00 12.47 C ATOM 31 C PRO A 9 -0.489 -5.165 -8.509 1.00 11.53 C ATOM 32 O PRO A 9 -1.247 -4.268 -8.886 1.00 11.34 O ATOM 33 CB PRO A 9 1.658 -4.492 -7.400 1.00 12.83 C ATOM 34 CG PRO A 9 2.585 -3.409 -7.845 1.00 13.43 C ATOM 35 CD PRO A 9 2.028 -2.886 -9.136 1.00 13.37 C ATOM 0 HA PRO A 9 1.364 -6.048 -8.945 1.00 12.47 H new ATOM 0 HB2 PRO A 9 0.897 -4.103 -6.723 1.00 12.83 H new ATOM 0 HB3 PRO A 9 2.196 -5.272 -6.861 1.00 12.83 H new ATOM 0 HG2 PRO A 9 2.646 -2.617 -7.098 1.00 13.43 H new ATOM 0 HG3 PRO A 9 3.595 -3.794 -7.984 1.00 13.43 H new ATOM 0 HD2 PRO A 9 1.308 -2.084 -8.972 1.00 13.37 H new ATOM 0 HD3 PRO A 9 2.809 -2.486 -9.782 1.00 13.37 H new ATOM 43 N THR A 10 -0.917 -6.273 -7.925 1.00 11.09 N ATOM 44 CA THR A 10 -2.328 -6.522 -7.688 1.00 10.34 C ATOM 45 C THR A 10 -2.755 -5.911 -6.359 1.00 9.71 C ATOM 46 O THR A 10 -3.292 -6.592 -5.484 1.00 9.71 O ATOM 47 CB THR A 10 -2.619 -8.033 -7.679 1.00 10.40 C ATOM 48 OG1 THR A 10 -1.393 -8.763 -7.841 1.00 11.09 O ATOM 49 CG2 THR A 10 -3.585 -8.405 -8.793 1.00 10.67 C ATOM 0 H THR A 10 -0.300 -7.019 -7.604 1.00 11.09 H new ATOM 0 HA THR A 10 -2.895 -6.059 -8.496 1.00 10.34 H new ATOM 0 HB THR A 10 -3.076 -8.290 -6.724 1.00 10.40 H new ATOM 0 HG1 THR A 10 -1.581 -9.725 -7.833 1.00 11.09 H new ATOM 0 HG21 THR A 10 -3.775 -9.478 -8.766 1.00 10.67 H new ATOM 0 HG22 THR A 10 -4.523 -7.867 -8.656 1.00 10.67 H new ATOM 0 HG23 THR A 10 -3.150 -8.138 -9.756 1.00 10.67 H new ATOM 57 N GLU A 11 -2.515 -4.619 -6.224 1.00 9.37 N ATOM 58 CA GLU A 11 -2.842 -3.895 -5.012 1.00 9.01 C ATOM 59 C GLU A 11 -2.981 -2.414 -5.321 1.00 8.63 C ATOM 60 O GLU A 11 -2.258 -1.889 -6.164 1.00 9.08 O ATOM 61 CB GLU A 11 -1.736 -4.121 -3.978 1.00 9.39 C ATOM 62 CG GLU A 11 -1.864 -3.275 -2.726 1.00 9.30 C ATOM 63 CD GLU A 11 -0.528 -3.040 -2.066 1.00 10.28 C ATOM 64 OE1 GLU A 11 -0.065 -3.935 -1.320 1.00 10.59 O ATOM 65 OE2 GLU A 11 0.067 -1.968 -2.305 1.00 10.48 O ATOM 0 H GLU A 11 -2.089 -4.044 -6.951 1.00 9.37 H new ATOM 0 HA GLU A 11 -3.788 -4.257 -4.610 1.00 9.01 H new ATOM 0 HB2 GLU A 11 -1.733 -5.173 -3.692 1.00 9.39 H new ATOM 0 HB3 GLU A 11 -0.773 -3.914 -4.444 1.00 9.39 H new ATOM 0 HG2 GLU A 11 -2.317 -2.317 -2.980 1.00 9.30 H new ATOM 0 HG3 GLU A 11 -2.535 -3.768 -2.022 1.00 9.30 H new ATOM 72 N PHE A 12 -3.909 -1.743 -4.653 1.00 8.06 N ATOM 73 CA PHE A 12 -4.113 -0.323 -4.876 1.00 8.00 C ATOM 74 C PHE A 12 -4.634 0.362 -3.616 1.00 7.20 C ATOM 75 O PHE A 12 -5.411 -0.217 -2.851 1.00 6.96 O ATOM 76 CB PHE A 12 -5.063 -0.089 -6.063 1.00 8.48 C ATOM 77 CG PHE A 12 -6.496 -0.487 -5.826 1.00 7.99 C ATOM 78 CD1 PHE A 12 -6.881 -1.816 -5.866 1.00 8.45 C ATOM 79 CD2 PHE A 12 -7.461 0.477 -5.579 1.00 7.85 C ATOM 80 CE1 PHE A 12 -8.197 -2.177 -5.661 1.00 8.74 C ATOM 81 CE2 PHE A 12 -8.780 0.122 -5.377 1.00 8.21 C ATOM 82 CZ PHE A 12 -9.148 -1.207 -5.417 1.00 8.93 C ATOM 0 H PHE A 12 -4.528 -2.158 -3.957 1.00 8.06 H new ATOM 0 HA PHE A 12 -3.148 0.121 -5.121 1.00 8.00 H new ATOM 0 HB2 PHE A 12 -5.035 0.968 -6.327 1.00 8.48 H new ATOM 0 HB3 PHE A 12 -4.687 -0.642 -6.923 1.00 8.48 H new ATOM 0 HD1 PHE A 12 -6.142 -2.580 -6.060 1.00 8.45 H new ATOM 0 HD2 PHE A 12 -7.178 1.519 -5.544 1.00 7.85 H new ATOM 0 HE1 PHE A 12 -8.483 -3.218 -5.691 1.00 8.74 H new ATOM 0 HE2 PHE A 12 -9.522 0.883 -5.188 1.00 8.21 H new ATOM 0 HZ PHE A 12 -10.179 -1.488 -5.258 1.00 8.93 H new ATOM 92 N ILE A 13 -4.184 1.591 -3.396 1.00 7.08 N ATOM 93 CA ILE A 13 -4.599 2.369 -2.238 1.00 6.69 C ATOM 94 C ILE A 13 -5.968 2.991 -2.478 1.00 5.92 C ATOM 95 O ILE A 13 -6.140 3.830 -3.361 1.00 5.90 O ATOM 96 CB ILE A 13 -3.578 3.482 -1.907 1.00 7.52 C ATOM 97 CG1 ILE A 13 -2.193 2.881 -1.635 1.00 8.17 C ATOM 98 CG2 ILE A 13 -4.048 4.304 -0.714 1.00 7.63 C ATOM 99 CD1 ILE A 13 -2.170 1.882 -0.497 1.00 8.66 C ATOM 0 H ILE A 13 -3.527 2.072 -4.010 1.00 7.08 H new ATOM 0 HA ILE A 13 -4.652 1.687 -1.389 1.00 6.69 H new ATOM 0 HB ILE A 13 -3.502 4.143 -2.770 1.00 7.52 H new ATOM 0 HG12 ILE A 13 -1.835 2.393 -2.541 1.00 8.17 H new ATOM 0 HG13 ILE A 13 -1.495 3.688 -1.411 1.00 8.17 H new ATOM 0 HG21 ILE A 13 -3.316 5.082 -0.497 1.00 7.63 H new ATOM 0 HG22 ILE A 13 -5.009 4.764 -0.945 1.00 7.63 H new ATOM 0 HG23 ILE A 13 -4.156 3.655 0.155 1.00 7.63 H new ATOM 0 HD11 ILE A 13 -1.157 1.502 -0.367 1.00 8.66 H new ATOM 0 HD12 ILE A 13 -2.496 2.370 0.422 1.00 8.66 H new ATOM 0 HD13 ILE A 13 -2.841 1.054 -0.726 1.00 8.66 H new ATOM 111 N SER A 14 -6.941 2.568 -1.693 1.00 5.60 N ATOM 112 CA SER A 14 -8.292 3.076 -1.813 1.00 5.30 C ATOM 113 C SER A 14 -8.574 4.134 -0.748 1.00 5.64 C ATOM 114 O SER A 14 -8.851 3.808 0.408 1.00 6.11 O ATOM 115 CB SER A 14 -9.282 1.920 -1.684 1.00 5.40 C ATOM 116 OG SER A 14 -8.796 0.765 -2.346 1.00 5.67 O ATOM 0 H SER A 14 -6.818 1.869 -0.961 1.00 5.60 H new ATOM 0 HA SER A 14 -8.405 3.545 -2.790 1.00 5.30 H new ATOM 0 HB2 SER A 14 -9.452 1.697 -0.631 1.00 5.40 H new ATOM 0 HB3 SER A 14 -10.244 2.210 -2.107 1.00 5.40 H new ATOM 0 HG SER A 14 -8.920 0.866 -3.313 1.00 5.67 H new ATOM 122 N ARG A 15 -8.487 5.400 -1.134 1.00 5.77 N ATOM 123 CA ARG A 15 -8.747 6.494 -0.211 1.00 6.44 C ATOM 124 C ARG A 15 -10.214 6.885 -0.291 1.00 6.84 C ATOM 125 O ARG A 15 -10.652 7.487 -1.272 1.00 7.10 O ATOM 126 CB ARG A 15 -7.863 7.701 -0.534 1.00 6.76 C ATOM 127 CG ARG A 15 -6.379 7.386 -0.520 1.00 7.07 C ATOM 128 CD ARG A 15 -5.565 8.505 -1.147 1.00 7.39 C ATOM 129 NE ARG A 15 -5.131 9.502 -0.166 1.00 8.02 N ATOM 130 CZ ARG A 15 -4.014 10.221 -0.287 1.00 8.40 C ATOM 131 NH1 ARG A 15 -3.256 10.092 -1.368 1.00 8.31 N ATOM 132 NH2 ARG A 15 -3.667 11.087 0.658 1.00 9.09 N ATOM 0 H ARG A 15 -8.239 5.693 -2.079 1.00 5.77 H new ATOM 0 HA ARG A 15 -8.512 6.163 0.801 1.00 6.44 H new ATOM 0 HB2 ARG A 15 -8.135 8.088 -1.516 1.00 6.76 H new ATOM 0 HB3 ARG A 15 -8.065 8.493 0.188 1.00 6.76 H new ATOM 0 HG2 ARG A 15 -6.050 7.227 0.507 1.00 7.07 H new ATOM 0 HG3 ARG A 15 -6.198 6.457 -1.060 1.00 7.07 H new ATOM 0 HD2 ARG A 15 -4.690 8.081 -1.640 1.00 7.39 H new ATOM 0 HD3 ARG A 15 -6.160 8.994 -1.918 1.00 7.39 H new ATOM 0 HE ARG A 15 -5.716 9.655 0.656 1.00 8.02 H new ATOM 0 HH11 ARG A 15 -3.527 9.443 -2.107 1.00 8.31 H new ATOM 0 HH12 ARG A 15 -2.402 10.642 -1.461 1.00 8.31 H new ATOM 0 HH21 ARG A 15 -4.256 11.205 1.482 1.00 9.09 H new ATOM 0 HH22 ARG A 15 -2.812 11.634 0.559 1.00 9.09 H new ATOM 146 N HIS A 16 -10.976 6.530 0.730 1.00 7.25 N ATOM 147 CA HIS A 16 -12.401 6.836 0.752 1.00 8.00 C ATOM 148 C HIS A 16 -12.811 7.412 2.098 1.00 8.80 C ATOM 149 O HIS A 16 -12.121 7.218 3.095 1.00 9.25 O ATOM 150 CB HIS A 16 -13.231 5.581 0.442 1.00 7.87 C ATOM 151 CG HIS A 16 -13.090 4.477 1.448 1.00 8.55 C ATOM 152 ND1 HIS A 16 -13.751 4.466 2.659 1.00 8.91 N ATOM 153 CD2 HIS A 16 -12.363 3.337 1.412 1.00 9.13 C ATOM 154 CE1 HIS A 16 -13.441 3.369 3.319 1.00 9.65 C ATOM 155 NE2 HIS A 16 -12.600 2.665 2.586 1.00 9.79 N ATOM 0 H HIS A 16 -10.636 6.032 1.552 1.00 7.25 H new ATOM 0 HA HIS A 16 -12.594 7.583 -0.018 1.00 8.00 H new ATOM 0 HB2 HIS A 16 -14.282 5.863 0.376 1.00 7.87 H new ATOM 0 HB3 HIS A 16 -12.941 5.202 -0.538 1.00 7.87 H new ATOM 0 HD1 HIS A 16 -14.382 5.195 2.992 1.00 8.91 H new ATOM 0 HD2 HIS A 16 -11.716 3.015 0.609 1.00 9.13 H new ATOM 0 HE1 HIS A 16 -13.812 3.093 4.295 1.00 9.65 H new ATOM 164 N ASN A 17 -13.944 8.099 2.123 1.00 9.21 N ATOM 165 CA ASN A 17 -14.448 8.696 3.355 1.00 10.20 C ATOM 166 C ASN A 17 -15.057 7.626 4.262 1.00 10.40 C ATOM 167 O ASN A 17 -15.081 6.445 3.903 1.00 10.47 O ATOM 168 CB ASN A 17 -15.471 9.797 3.036 1.00 11.03 C ATOM 169 CG ASN A 17 -16.854 9.270 2.684 1.00 11.85 C ATOM 170 OD1 ASN A 17 -17.007 8.171 2.154 1.00 11.82 O ATOM 171 ND2 ASN A 17 -17.871 10.059 2.982 1.00 12.69 N ATOM 0 H ASN A 17 -14.533 8.258 1.305 1.00 9.21 H new ATOM 0 HA ASN A 17 -13.613 9.152 3.888 1.00 10.20 H new ATOM 0 HB2 ASN A 17 -15.554 10.462 3.896 1.00 11.03 H new ATOM 0 HB3 ASN A 17 -15.099 10.396 2.205 1.00 11.03 H new ATOM 0 HD21 ASN A 17 -18.824 9.763 2.773 1.00 12.69 H new ATOM 0 HD22 ASN A 17 -17.703 10.964 3.422 1.00 12.69 H new ATOM 178 N ILE A 18 -15.542 8.040 5.428 1.00 10.70 N ATOM 179 CA ILE A 18 -16.145 7.120 6.395 1.00 11.18 C ATOM 180 C ILE A 18 -17.267 6.277 5.782 1.00 11.08 C ATOM 181 O ILE A 18 -17.428 5.106 6.121 1.00 11.25 O ATOM 182 CB ILE A 18 -16.710 7.877 7.616 1.00 12.00 C ATOM 183 CG1 ILE A 18 -17.555 9.074 7.163 1.00 12.63 C ATOM 184 CG2 ILE A 18 -15.579 8.329 8.528 1.00 12.34 C ATOM 185 CD1 ILE A 18 -18.658 9.439 8.133 1.00 13.58 C ATOM 0 H ILE A 18 -15.530 9.014 5.731 1.00 10.70 H new ATOM 0 HA ILE A 18 -15.341 6.455 6.711 1.00 11.18 H new ATOM 0 HB ILE A 18 -17.354 7.200 8.177 1.00 12.00 H new ATOM 0 HG12 ILE A 18 -16.903 9.937 7.026 1.00 12.63 H new ATOM 0 HG13 ILE A 18 -17.996 8.850 6.192 1.00 12.63 H new ATOM 0 HG21 ILE A 18 -15.993 8.861 9.384 1.00 12.34 H new ATOM 0 HG22 ILE A 18 -15.022 7.459 8.876 1.00 12.34 H new ATOM 0 HG23 ILE A 18 -14.910 8.991 7.978 1.00 12.34 H new ATOM 0 HD11 ILE A 18 -19.214 10.294 7.747 1.00 13.58 H new ATOM 0 HD12 ILE A 18 -19.333 8.591 8.252 1.00 13.58 H new ATOM 0 HD13 ILE A 18 -18.223 9.695 9.099 1.00 13.58 H new ATOM 197 N GLU A 19 -18.035 6.878 4.882 1.00 10.98 N ATOM 198 CA GLU A 19 -19.144 6.184 4.233 1.00 11.15 C ATOM 199 C GLU A 19 -18.635 5.098 3.294 1.00 10.09 C ATOM 200 O GLU A 19 -19.124 3.969 3.307 1.00 10.09 O ATOM 201 CB GLU A 19 -20.002 7.174 3.448 1.00 12.03 C ATOM 202 CG GLU A 19 -20.573 8.291 4.299 1.00 13.15 C ATOM 203 CD GLU A 19 -21.268 9.346 3.473 1.00 13.37 C ATOM 204 OE1 GLU A 19 -20.573 10.109 2.771 1.00 13.50 O ATOM 205 OE2 GLU A 19 -22.512 9.425 3.525 1.00 13.85 O ATOM 0 H GLU A 19 -17.911 7.845 4.584 1.00 10.98 H new ATOM 0 HA GLU A 19 -19.748 5.718 5.012 1.00 11.15 H new ATOM 0 HB2 GLU A 19 -19.401 7.608 2.649 1.00 12.03 H new ATOM 0 HB3 GLU A 19 -20.822 6.635 2.974 1.00 12.03 H new ATOM 0 HG2 GLU A 19 -21.278 7.873 5.017 1.00 13.15 H new ATOM 0 HG3 GLU A 19 -19.770 8.753 4.873 1.00 13.15 H new ATOM 212 N GLY A 20 -17.650 5.442 2.486 1.00 9.38 N ATOM 213 CA GLY A 20 -17.102 4.490 1.547 1.00 8.49 C ATOM 214 C GLY A 20 -16.862 5.115 0.193 1.00 8.41 C ATOM 215 O GLY A 20 -16.256 4.496 -0.680 1.00 8.52 O ATOM 0 H GLY A 20 -17.218 6.366 2.463 1.00 9.38 H new ATOM 0 HA2 GLY A 20 -16.164 4.094 1.936 1.00 8.49 H new ATOM 0 HA3 GLY A 20 -17.785 3.647 1.443 1.00 8.49 H new ATOM 219 N ILE A 21 -17.341 6.343 0.031 1.00 8.47 N ATOM 220 CA ILE A 21 -17.179 7.087 -1.210 1.00 8.70 C ATOM 221 C ILE A 21 -15.703 7.379 -1.451 1.00 8.24 C ATOM 222 O ILE A 21 -15.060 8.074 -0.656 1.00 8.70 O ATOM 223 CB ILE A 21 -17.963 8.420 -1.173 1.00 9.49 C ATOM 224 CG1 ILE A 21 -19.459 8.157 -0.960 1.00 10.11 C ATOM 225 CG2 ILE A 21 -17.738 9.221 -2.450 1.00 9.59 C ATOM 226 CD1 ILE A 21 -20.131 7.461 -2.126 1.00 10.74 C ATOM 0 H ILE A 21 -17.851 6.849 0.755 1.00 8.47 H new ATOM 0 HA ILE A 21 -17.575 6.475 -2.020 1.00 8.70 H new ATOM 0 HB ILE A 21 -17.591 9.009 -0.335 1.00 9.49 H new ATOM 0 HG12 ILE A 21 -19.587 7.550 -0.064 1.00 10.11 H new ATOM 0 HG13 ILE A 21 -19.962 9.106 -0.777 1.00 10.11 H new ATOM 0 HG21 ILE A 21 -18.300 10.153 -2.398 1.00 9.59 H new ATOM 0 HG22 ILE A 21 -16.676 9.443 -2.558 1.00 9.59 H new ATOM 0 HG23 ILE A 21 -18.076 8.640 -3.308 1.00 9.59 H new ATOM 0 HD11 ILE A 21 -21.187 7.310 -1.900 1.00 10.74 H new ATOM 0 HD12 ILE A 21 -20.036 8.076 -3.021 1.00 10.74 H new ATOM 0 HD13 ILE A 21 -19.655 6.496 -2.297 1.00 10.74 H new ATOM 238 N PHE A 22 -15.165 6.821 -2.526 1.00 7.56 N ATOM 239 CA PHE A 22 -13.764 7.012 -2.871 1.00 7.35 C ATOM 240 C PHE A 22 -13.492 8.459 -3.253 1.00 7.07 C ATOM 241 O PHE A 22 -14.117 9.001 -4.168 1.00 7.53 O ATOM 242 CB PHE A 22 -13.358 6.091 -4.022 1.00 7.50 C ATOM 243 CG PHE A 22 -13.383 4.630 -3.674 1.00 8.14 C ATOM 244 CD1 PHE A 22 -14.562 3.907 -3.749 1.00 8.51 C ATOM 245 CD2 PHE A 22 -12.228 3.979 -3.280 1.00 8.60 C ATOM 246 CE1 PHE A 22 -14.587 2.563 -3.441 1.00 9.27 C ATOM 247 CE2 PHE A 22 -12.249 2.634 -2.969 1.00 9.42 C ATOM 248 CZ PHE A 22 -13.430 1.926 -3.050 1.00 9.73 C ATOM 0 H PHE A 22 -15.681 6.229 -3.177 1.00 7.56 H new ATOM 0 HA PHE A 22 -13.170 6.762 -1.992 1.00 7.35 H new ATOM 0 HB2 PHE A 22 -14.026 6.264 -4.865 1.00 7.50 H new ATOM 0 HB3 PHE A 22 -12.354 6.358 -4.351 1.00 7.50 H new ATOM 0 HD1 PHE A 22 -15.473 4.402 -4.052 1.00 8.51 H new ATOM 0 HD2 PHE A 22 -11.300 4.528 -3.215 1.00 8.60 H new ATOM 0 HE1 PHE A 22 -15.513 2.011 -3.506 1.00 9.27 H new ATOM 0 HE2 PHE A 22 -11.341 2.136 -2.662 1.00 9.42 H new ATOM 0 HZ PHE A 22 -13.448 0.874 -2.807 1.00 9.73 H new ATOM 258 N THR A 23 -12.569 9.077 -2.536 1.00 6.58 N ATOM 259 CA THR A 23 -12.189 10.454 -2.788 1.00 6.57 C ATOM 260 C THR A 23 -10.981 10.493 -3.721 1.00 5.83 C ATOM 261 O THR A 23 -10.839 11.397 -4.545 1.00 5.91 O ATOM 262 CB THR A 23 -11.857 11.174 -1.470 1.00 7.05 C ATOM 263 OG1 THR A 23 -12.452 10.462 -0.372 1.00 7.33 O ATOM 264 CG2 THR A 23 -12.372 12.605 -1.492 1.00 7.74 C ATOM 0 H THR A 23 -12.064 8.639 -1.766 1.00 6.58 H new ATOM 0 HA THR A 23 -13.027 10.967 -3.260 1.00 6.57 H new ATOM 0 HB THR A 23 -10.774 11.199 -1.350 1.00 7.05 H new ATOM 0 HG1 THR A 23 -12.239 10.919 0.468 1.00 7.33 H new ATOM 0 HG21 THR A 23 -12.126 13.095 -0.550 1.00 7.74 H new ATOM 0 HG22 THR A 23 -11.906 13.147 -2.315 1.00 7.74 H new ATOM 0 HG23 THR A 23 -13.454 12.600 -1.627 1.00 7.74 H new ATOM 272 N PHE A 24 -10.128 9.483 -3.595 1.00 5.35 N ATOM 273 CA PHE A 24 -8.937 9.364 -4.420 1.00 4.99 C ATOM 274 C PHE A 24 -8.633 7.889 -4.658 1.00 4.39 C ATOM 275 O PHE A 24 -8.666 7.082 -3.724 1.00 4.25 O ATOM 276 CB PHE A 24 -7.742 10.057 -3.758 1.00 5.47 C ATOM 277 CG PHE A 24 -6.554 10.185 -4.666 1.00 5.80 C ATOM 278 CD1 PHE A 24 -6.527 11.152 -5.657 1.00 5.92 C ATOM 279 CD2 PHE A 24 -5.469 9.337 -4.532 1.00 6.29 C ATOM 280 CE1 PHE A 24 -5.441 11.269 -6.498 1.00 6.43 C ATOM 281 CE2 PHE A 24 -4.378 9.450 -5.371 1.00 6.89 C ATOM 282 CZ PHE A 24 -4.364 10.416 -6.354 1.00 6.92 C ATOM 0 H PHE A 24 -10.244 8.727 -2.920 1.00 5.35 H new ATOM 0 HA PHE A 24 -9.119 9.855 -5.376 1.00 4.99 H new ATOM 0 HB2 PHE A 24 -8.045 11.050 -3.425 1.00 5.47 H new ATOM 0 HB3 PHE A 24 -7.453 9.497 -2.869 1.00 5.47 H new ATOM 0 HD1 PHE A 24 -7.366 11.822 -5.772 1.00 5.92 H new ATOM 0 HD2 PHE A 24 -5.475 8.579 -3.763 1.00 6.29 H new ATOM 0 HE1 PHE A 24 -5.432 12.026 -7.268 1.00 6.43 H new ATOM 0 HE2 PHE A 24 -3.537 8.782 -5.257 1.00 6.89 H new ATOM 0 HZ PHE A 24 -3.512 10.506 -7.011 1.00 6.92 H new ATOM 292 N VAL A 25 -8.350 7.535 -5.900 1.00 4.43 N ATOM 293 CA VAL A 25 -8.068 6.149 -6.248 1.00 4.39 C ATOM 294 C VAL A 25 -6.662 5.989 -6.829 1.00 4.75 C ATOM 295 O VAL A 25 -6.135 6.890 -7.488 1.00 5.12 O ATOM 296 CB VAL A 25 -9.113 5.602 -7.253 1.00 5.05 C ATOM 297 CG1 VAL A 25 -8.933 4.106 -7.479 1.00 5.18 C ATOM 298 CG2 VAL A 25 -10.527 5.897 -6.772 1.00 6.02 C ATOM 0 H VAL A 25 -8.309 8.186 -6.685 1.00 4.43 H new ATOM 0 HA VAL A 25 -8.128 5.572 -5.325 1.00 4.39 H new ATOM 0 HB VAL A 25 -8.954 6.109 -8.205 1.00 5.05 H new ATOM 0 HG11 VAL A 25 -9.681 3.753 -8.189 1.00 5.18 H new ATOM 0 HG12 VAL A 25 -7.936 3.916 -7.877 1.00 5.18 H new ATOM 0 HG13 VAL A 25 -9.053 3.578 -6.533 1.00 5.18 H new ATOM 0 HG21 VAL A 25 -11.245 5.505 -7.492 1.00 6.02 H new ATOM 0 HG22 VAL A 25 -10.688 5.423 -5.804 1.00 6.02 H new ATOM 0 HG23 VAL A 25 -10.661 6.974 -6.676 1.00 6.02 H new ATOM 308 N ASP A 26 -6.068 4.831 -6.549 1.00 5.07 N ATOM 309 CA ASP A 26 -4.731 4.473 -7.021 1.00 5.85 C ATOM 310 C ASP A 26 -4.737 4.259 -8.539 1.00 6.77 C ATOM 311 O ASP A 26 -5.772 4.391 -9.191 1.00 6.87 O ATOM 312 CB ASP A 26 -4.288 3.184 -6.314 1.00 5.75 C ATOM 313 CG ASP A 26 -2.783 2.995 -6.237 1.00 6.66 C ATOM 314 OD1 ASP A 26 -2.151 2.731 -7.282 1.00 7.31 O ATOM 315 OD2 ASP A 26 -2.236 3.067 -5.117 1.00 6.95 O ATOM 0 H ASP A 26 -6.506 4.106 -5.981 1.00 5.07 H new ATOM 0 HA ASP A 26 -4.037 5.282 -6.793 1.00 5.85 H new ATOM 0 HB2 ASP A 26 -4.694 3.181 -5.303 1.00 5.75 H new ATOM 0 HB3 ASP A 26 -4.723 2.331 -6.835 1.00 5.75 H new ATOM 320 N HIS A 27 -3.587 3.920 -9.096 1.00 7.68 N ATOM 321 CA HIS A 27 -3.471 3.680 -10.529 1.00 8.77 C ATOM 322 C HIS A 27 -3.283 2.195 -10.800 1.00 9.47 C ATOM 323 O HIS A 27 -3.551 1.710 -11.900 1.00 9.87 O ATOM 324 CB HIS A 27 -2.301 4.469 -11.123 1.00 9.42 C ATOM 325 CG HIS A 27 -2.634 5.896 -11.434 1.00 10.21 C ATOM 326 ND1 HIS A 27 -1.681 6.852 -11.707 1.00 10.91 N ATOM 327 CD2 HIS A 27 -3.829 6.528 -11.518 1.00 10.62 C ATOM 328 CE1 HIS A 27 -2.274 8.007 -11.940 1.00 11.67 C ATOM 329 NE2 HIS A 27 -3.577 7.837 -11.833 1.00 11.51 N ATOM 0 H HIS A 27 -2.716 3.804 -8.578 1.00 7.68 H new ATOM 0 HA HIS A 27 -4.392 4.018 -11.004 1.00 8.77 H new ATOM 0 HB2 HIS A 27 -1.465 4.444 -10.424 1.00 9.42 H new ATOM 0 HB3 HIS A 27 -1.968 3.976 -12.036 1.00 9.42 H new ATOM 0 HD1 HIS A 27 -0.674 6.692 -11.726 1.00 10.91 H new ATOM 0 HD2 HIS A 27 -4.801 6.082 -11.365 1.00 10.62 H new ATOM 0 HE1 HIS A 27 -1.776 8.935 -12.178 1.00 11.67 H new ATOM 338 N ARG A 28 -2.845 1.472 -9.778 1.00 9.78 N ATOM 339 CA ARG A 28 -2.608 0.038 -9.892 1.00 10.59 C ATOM 340 C ARG A 28 -3.921 -0.746 -9.857 1.00 11.06 C ATOM 341 O ARG A 28 -3.937 -1.956 -10.090 1.00 11.12 O ATOM 342 CB ARG A 28 -1.693 -0.435 -8.763 1.00 10.74 C ATOM 343 CG ARG A 28 -0.325 0.228 -8.760 1.00 11.22 C ATOM 344 CD ARG A 28 0.393 0.010 -7.438 1.00 11.69 C ATOM 345 NE ARG A 28 -0.250 0.730 -6.337 1.00 11.31 N ATOM 346 CZ ARG A 28 -0.241 0.321 -5.067 1.00 11.44 C ATOM 347 NH1 ARG A 28 0.349 -0.823 -4.729 1.00 11.91 N ATOM 348 NH2 ARG A 28 -0.834 1.051 -4.137 1.00 11.23 N ATOM 0 H ARG A 28 -2.645 1.857 -8.855 1.00 9.78 H new ATOM 0 HA ARG A 28 -2.125 -0.147 -10.852 1.00 10.59 H new ATOM 0 HB2 ARG A 28 -2.181 -0.242 -7.808 1.00 10.74 H new ATOM 0 HB3 ARG A 28 -1.563 -1.514 -8.842 1.00 10.74 H new ATOM 0 HG2 ARG A 28 0.278 -0.174 -9.574 1.00 11.22 H new ATOM 0 HG3 ARG A 28 -0.436 1.297 -8.944 1.00 11.22 H new ATOM 0 HD2 ARG A 28 0.416 -1.056 -7.210 1.00 11.69 H new ATOM 0 HD3 ARG A 28 1.428 0.338 -7.530 1.00 11.69 H new ATOM 0 HE ARG A 28 -0.736 1.600 -6.555 1.00 11.31 H new ATOM 0 HH11 ARG A 28 0.799 -1.395 -5.443 1.00 11.91 H new ATOM 0 HH12 ARG A 28 0.351 -1.128 -3.756 1.00 11.91 H new ATOM 0 HH21 ARG A 28 -1.296 1.924 -4.392 1.00 11.23 H new ATOM 0 HH22 ARG A 28 -0.829 0.741 -3.165 1.00 11.23 H new ATOM 362 N CYS A 29 -5.023 -0.043 -9.595 1.00 11.56 N ATOM 363 CA CYS A 29 -6.343 -0.666 -9.518 1.00 12.23 C ATOM 364 C CYS A 29 -6.693 -1.391 -10.816 1.00 12.88 C ATOM 365 O CYS A 29 -7.395 -2.407 -10.802 1.00 12.99 O ATOM 366 CB CYS A 29 -7.405 0.391 -9.212 1.00 12.60 C ATOM 367 SG CYS A 29 -7.463 1.739 -10.412 1.00 12.95 S ATOM 0 H CYS A 29 -5.026 0.964 -9.432 1.00 11.56 H new ATOM 0 HA CYS A 29 -6.320 -1.402 -8.714 1.00 12.23 H new ATOM 0 HB2 CYS A 29 -8.382 -0.090 -9.174 1.00 12.60 H new ATOM 0 HB3 CYS A 29 -7.215 0.807 -8.222 1.00 12.60 H new ATOM 0 HG CYS A 29 -8.338 1.463 -11.333 1.00 12.95 H new ATOM 373 N VAL A 30 -6.184 -0.870 -11.929 1.00 13.46 N ATOM 374 CA VAL A 30 -6.432 -1.449 -13.245 1.00 14.27 C ATOM 375 C VAL A 30 -5.861 -2.864 -13.339 1.00 14.13 C ATOM 376 O VAL A 30 -6.405 -3.720 -14.030 1.00 14.19 O ATOM 377 CB VAL A 30 -5.823 -0.577 -14.365 1.00 15.19 C ATOM 378 CG1 VAL A 30 -6.313 -1.033 -15.732 1.00 16.15 C ATOM 379 CG2 VAL A 30 -6.148 0.893 -14.141 1.00 15.20 C ATOM 0 H VAL A 30 -5.592 -0.040 -11.944 1.00 13.46 H new ATOM 0 HA VAL A 30 -7.513 -1.490 -13.378 1.00 14.27 H new ATOM 0 HB VAL A 30 -4.740 -0.695 -14.335 1.00 15.19 H new ATOM 0 HG11 VAL A 30 -5.871 -0.404 -16.505 1.00 16.15 H new ATOM 0 HG12 VAL A 30 -6.020 -2.070 -15.896 1.00 16.15 H new ATOM 0 HG13 VAL A 30 -7.399 -0.951 -15.775 1.00 16.15 H new ATOM 0 HG21 VAL A 30 -5.709 1.489 -14.941 1.00 15.20 H new ATOM 0 HG22 VAL A 30 -7.229 1.030 -14.137 1.00 15.20 H new ATOM 0 HG23 VAL A 30 -5.738 1.214 -13.183 1.00 15.20 H new ATOM 389 N ALA A 31 -4.772 -3.112 -12.623 1.00 14.12 N ATOM 390 CA ALA A 31 -4.138 -4.422 -12.634 1.00 14.20 C ATOM 391 C ALA A 31 -4.667 -5.288 -11.498 1.00 14.41 C ATOM 392 O ALA A 31 -4.515 -6.508 -11.509 1.00 15.07 O ATOM 393 CB ALA A 31 -2.629 -4.283 -12.531 1.00 14.19 C ATOM 0 H ALA A 31 -4.310 -2.424 -12.028 1.00 14.12 H new ATOM 0 HA ALA A 31 -4.380 -4.909 -13.579 1.00 14.20 H new ATOM 0 HB1 ALA A 31 -2.171 -5.272 -12.541 1.00 14.19 H new ATOM 0 HB2 ALA A 31 -2.258 -3.703 -13.376 1.00 14.19 H new ATOM 0 HB3 ALA A 31 -2.373 -3.774 -11.602 1.00 14.19 H new ATOM 399 N THR A 32 -5.288 -4.648 -10.519 1.00 13.95 N ATOM 400 CA THR A 32 -5.839 -5.359 -9.379 1.00 14.24 C ATOM 401 C THR A 32 -7.210 -5.940 -9.710 1.00 14.03 C ATOM 402 O THR A 32 -7.378 -7.158 -9.795 1.00 14.20 O ATOM 403 CB THR A 32 -5.966 -4.434 -8.155 1.00 14.27 C ATOM 404 OG1 THR A 32 -4.785 -3.634 -8.022 1.00 14.90 O ATOM 405 CG2 THR A 32 -6.189 -5.240 -6.882 1.00 14.04 C ATOM 0 H THR A 32 -5.422 -3.637 -10.492 1.00 13.95 H new ATOM 0 HA THR A 32 -5.151 -6.170 -9.142 1.00 14.24 H new ATOM 0 HB THR A 32 -6.829 -3.785 -8.307 1.00 14.27 H new ATOM 0 HG1 THR A 32 -4.732 -3.002 -8.769 1.00 14.90 H new ATOM 0 HG21 THR A 32 -6.275 -4.562 -6.033 1.00 14.04 H new ATOM 0 HG22 THR A 32 -7.106 -5.822 -6.976 1.00 14.04 H new ATOM 0 HG23 THR A 32 -5.346 -5.913 -6.725 1.00 14.04 H new ATOM 413 N VAL A 33 -8.187 -5.066 -9.914 1.00 13.80 N ATOM 414 CA VAL A 33 -9.542 -5.499 -10.224 1.00 13.77 C ATOM 415 C VAL A 33 -9.941 -5.113 -11.643 1.00 13.68 C ATOM 416 O VAL A 33 -10.994 -5.519 -12.127 1.00 13.84 O ATOM 417 CB VAL A 33 -10.573 -4.914 -9.234 1.00 13.66 C ATOM 418 CG1 VAL A 33 -10.583 -5.713 -7.941 1.00 13.80 C ATOM 419 CG2 VAL A 33 -10.286 -3.446 -8.953 1.00 13.68 C ATOM 0 H VAL A 33 -8.066 -4.054 -9.870 1.00 13.80 H new ATOM 0 HA VAL A 33 -9.544 -6.585 -10.134 1.00 13.77 H new ATOM 0 HB VAL A 33 -11.560 -4.984 -9.692 1.00 13.66 H new ATOM 0 HG11 VAL A 33 -11.315 -5.287 -7.255 1.00 13.80 H new ATOM 0 HG12 VAL A 33 -10.847 -6.749 -8.155 1.00 13.80 H new ATOM 0 HG13 VAL A 33 -9.594 -5.678 -7.484 1.00 13.80 H new ATOM 0 HG21 VAL A 33 -11.026 -3.058 -8.253 1.00 13.68 H new ATOM 0 HG22 VAL A 33 -9.290 -3.346 -8.521 1.00 13.68 H new ATOM 0 HG23 VAL A 33 -10.336 -2.881 -9.884 1.00 13.68 H new ATOM 429 N GLY A 34 -9.111 -4.312 -12.301 1.00 13.56 N ATOM 430 CA GLY A 34 -9.408 -3.899 -13.662 1.00 13.65 C ATOM 431 C GLY A 34 -10.305 -2.680 -13.708 1.00 13.54 C ATOM 432 O GLY A 34 -10.622 -2.168 -14.783 1.00 13.85 O ATOM 0 H GLY A 34 -8.241 -3.942 -11.919 1.00 13.56 H new ATOM 0 HA2 GLY A 34 -8.477 -3.682 -14.185 1.00 13.65 H new ATOM 0 HA3 GLY A 34 -9.888 -4.721 -14.193 1.00 13.65 H new ATOM 436 N TYR A 35 -10.717 -2.221 -12.537 1.00 13.21 N ATOM 437 CA TYR A 35 -11.581 -1.060 -12.428 1.00 13.20 C ATOM 438 C TYR A 35 -10.786 0.222 -12.608 1.00 12.81 C ATOM 439 O TYR A 35 -9.681 0.363 -12.073 1.00 12.67 O ATOM 440 CB TYR A 35 -12.278 -1.036 -11.067 1.00 13.25 C ATOM 441 CG TYR A 35 -13.642 -1.677 -11.068 1.00 15.79 C ATOM 442 CD1 TYR A 35 -14.749 -0.993 -11.548 1.00 16.05 C ATOM 443 CD2 TYR A 35 -13.826 -2.962 -10.581 1.00 16.35 C ATOM 444 CE1 TYR A 35 -15.999 -1.575 -11.554 1.00 16.85 C ATOM 445 CE2 TYR A 35 -15.074 -3.549 -10.581 1.00 17.14 C ATOM 446 CZ TYR A 35 -16.156 -2.852 -11.065 1.00 15.43 C ATOM 447 OH TYR A 35 -17.397 -3.439 -11.074 1.00 18.28 O ATOM 0 H TYR A 35 -10.463 -2.640 -11.642 1.00 13.21 H new ATOM 0 HA TYR A 35 -12.331 -1.127 -13.216 1.00 13.20 H new ATOM 0 HB2 TYR A 35 -11.648 -1.546 -10.338 1.00 13.25 H new ATOM 0 HB3 TYR A 35 -12.374 -0.002 -10.737 1.00 13.25 H new ATOM 0 HD1 TYR A 35 -14.630 0.013 -11.923 1.00 16.05 H new ATOM 0 HD2 TYR A 35 -12.980 -3.511 -10.196 1.00 16.35 H new ATOM 0 HE1 TYR A 35 -16.849 -1.032 -11.940 1.00 16.85 H new ATOM 0 HE2 TYR A 35 -15.201 -4.552 -10.202 1.00 17.14 H new ATOM 0 HH TYR A 35 -17.925 -3.100 -10.321 1.00 18.28 H new ATOM 457 N GLN A 36 -11.340 1.148 -13.370 1.00 12.79 N ATOM 458 CA GLN A 36 -10.690 2.423 -13.599 1.00 12.57 C ATOM 459 C GLN A 36 -10.897 3.305 -12.372 1.00 11.54 C ATOM 460 O GLN A 36 -11.907 3.176 -11.685 1.00 11.22 O ATOM 461 CB GLN A 36 -11.261 3.101 -14.848 1.00 13.45 C ATOM 462 CG GLN A 36 -11.366 2.185 -16.062 1.00 14.56 C ATOM 463 CD GLN A 36 -10.032 1.604 -16.486 1.00 15.07 C ATOM 464 OE1 GLN A 36 -9.735 0.402 -16.024 1.00 15.22 O flip ATOM 465 NE2 GLN A 36 -9.280 2.225 -17.237 1.00 15.48 N flip ATOM 0 H GLN A 36 -12.239 1.040 -13.840 1.00 12.79 H new ATOM 0 HA GLN A 36 -9.624 2.266 -13.763 1.00 12.57 H new ATOM 0 HB2 GLN A 36 -12.251 3.492 -14.615 1.00 13.45 H new ATOM 0 HB3 GLN A 36 -10.633 3.955 -15.104 1.00 13.45 H new ATOM 0 HG2 GLN A 36 -12.055 1.371 -15.837 1.00 14.56 H new ATOM 0 HG3 GLN A 36 -11.794 2.743 -16.895 1.00 14.56 H new ATOM 0 HE21 GLN A 36 -9.545 3.151 -17.572 1.00 15.48 H new ATOM 0 HE22 GLN A 36 -8.392 1.813 -17.524 1.00 15.48 H new ATOM 474 N PRO A 37 -9.946 4.200 -12.068 1.00 11.14 N ATOM 475 CA PRO A 37 -10.043 5.093 -10.904 1.00 10.29 C ATOM 476 C PRO A 37 -11.371 5.850 -10.845 1.00 10.51 C ATOM 477 O PRO A 37 -11.959 6.016 -9.776 1.00 10.47 O ATOM 478 CB PRO A 37 -8.880 6.066 -11.108 1.00 10.16 C ATOM 479 CG PRO A 37 -7.890 5.303 -11.917 1.00 10.93 C ATOM 480 CD PRO A 37 -8.693 4.408 -12.820 1.00 11.63 C ATOM 0 HA PRO A 37 -9.999 4.539 -9.966 1.00 10.29 H new ATOM 0 HB2 PRO A 37 -9.204 6.968 -11.626 1.00 10.16 H new ATOM 0 HB3 PRO A 37 -8.455 6.381 -10.155 1.00 10.16 H new ATOM 0 HG2 PRO A 37 -7.258 5.976 -12.497 1.00 10.93 H new ATOM 0 HG3 PRO A 37 -7.230 4.719 -11.276 1.00 10.93 H new ATOM 0 HD2 PRO A 37 -8.878 4.875 -13.788 1.00 11.63 H new ATOM 0 HD3 PRO A 37 -8.179 3.466 -13.013 1.00 11.63 H new ATOM 488 N GLN A 38 -11.860 6.265 -12.007 1.00 10.92 N ATOM 489 CA GLN A 38 -13.109 7.017 -12.098 1.00 11.42 C ATOM 490 C GLN A 38 -14.323 6.134 -11.813 1.00 11.86 C ATOM 491 O GLN A 38 -15.421 6.636 -11.569 1.00 12.08 O ATOM 492 CB GLN A 38 -13.244 7.657 -13.483 1.00 12.31 C ATOM 493 CG GLN A 38 -12.037 8.488 -13.898 1.00 12.40 C ATOM 494 CD GLN A 38 -11.021 7.695 -14.699 1.00 12.97 C ATOM 495 OE1 GLN A 38 -10.908 6.477 -14.554 1.00 13.31 O ATOM 496 NE2 GLN A 38 -10.265 8.382 -15.537 1.00 13.23 N ATOM 0 H GLN A 38 -11.409 6.093 -12.905 1.00 10.92 H new ATOM 0 HA GLN A 38 -13.077 7.799 -11.339 1.00 11.42 H new ATOM 0 HB2 GLN A 38 -13.404 6.871 -14.222 1.00 12.31 H new ATOM 0 HB3 GLN A 38 -14.131 8.291 -13.495 1.00 12.31 H new ATOM 0 HG2 GLN A 38 -12.374 9.339 -14.490 1.00 12.40 H new ATOM 0 HG3 GLN A 38 -11.555 8.890 -13.007 1.00 12.40 H new ATOM 0 HE21 GLN A 38 -10.390 9.390 -15.628 1.00 13.23 H new ATOM 0 HE22 GLN A 38 -9.556 7.904 -16.093 1.00 13.23 H new ATOM 505 N GLU A 39 -14.124 4.821 -11.835 1.00 12.10 N ATOM 506 CA GLU A 39 -15.213 3.887 -11.573 1.00 12.60 C ATOM 507 C GLU A 39 -15.434 3.741 -10.075 1.00 12.14 C ATOM 508 O GLU A 39 -16.515 3.359 -9.633 1.00 12.03 O ATOM 509 CB GLU A 39 -14.926 2.521 -12.194 1.00 13.06 C ATOM 510 CG GLU A 39 -14.788 2.559 -13.704 1.00 14.17 C ATOM 511 CD GLU A 39 -14.868 1.185 -14.328 1.00 16.63 C ATOM 512 OE1 GLU A 39 -15.999 0.707 -14.573 1.00 17.34 O ATOM 513 OE2 GLU A 39 -13.808 0.577 -14.581 1.00 16.43 O ATOM 0 H GLU A 39 -13.225 4.381 -12.030 1.00 12.10 H new ATOM 0 HA GLU A 39 -16.118 4.288 -12.030 1.00 12.60 H new ATOM 0 HB2 GLU A 39 -14.008 2.121 -11.763 1.00 13.06 H new ATOM 0 HB3 GLU A 39 -15.729 1.834 -11.928 1.00 13.06 H new ATOM 0 HG2 GLU A 39 -15.573 3.190 -14.121 1.00 14.17 H new ATOM 0 HG3 GLU A 39 -13.835 3.019 -13.967 1.00 14.17 H new ATOM 520 N LEU A 40 -14.398 4.048 -9.301 1.00 12.04 N ATOM 521 CA LEU A 40 -14.475 3.963 -7.847 1.00 11.75 C ATOM 522 C LEU A 40 -14.835 5.324 -7.264 1.00 11.42 C ATOM 523 O LEU A 40 -15.542 5.418 -6.262 1.00 11.04 O ATOM 524 CB LEU A 40 -13.144 3.481 -7.249 1.00 11.89 C ATOM 525 CG LEU A 40 -12.820 1.992 -7.427 1.00 12.41 C ATOM 526 CD1 LEU A 40 -14.068 1.137 -7.273 1.00 12.70 C ATOM 527 CD2 LEU A 40 -12.159 1.744 -8.772 1.00 13.25 C ATOM 0 H LEU A 40 -13.494 4.358 -9.657 1.00 12.04 H new ATOM 0 HA LEU A 40 -15.249 3.240 -7.592 1.00 11.75 H new ATOM 0 HB2 LEU A 40 -12.337 4.063 -7.695 1.00 11.89 H new ATOM 0 HB3 LEU A 40 -13.146 3.706 -6.182 1.00 11.89 H new ATOM 0 HG LEU A 40 -12.120 1.704 -6.643 1.00 12.41 H new ATOM 0 HD11 LEU A 40 -13.808 0.087 -7.404 1.00 12.70 H new ATOM 0 HD12 LEU A 40 -14.490 1.285 -6.279 1.00 12.70 H new ATOM 0 HD13 LEU A 40 -14.802 1.426 -8.025 1.00 12.70 H new ATOM 0 HD21 LEU A 40 -11.937 0.682 -8.878 1.00 13.25 H new ATOM 0 HD22 LEU A 40 -12.832 2.056 -9.571 1.00 13.25 H new ATOM 0 HD23 LEU A 40 -11.233 2.316 -8.833 1.00 13.25 H new ATOM 539 N LEU A 41 -14.340 6.377 -7.905 1.00 11.77 N ATOM 540 CA LEU A 41 -14.598 7.743 -7.464 1.00 11.76 C ATOM 541 C LEU A 41 -16.093 8.031 -7.420 1.00 12.25 C ATOM 542 O LEU A 41 -16.788 7.913 -8.428 1.00 12.72 O ATOM 543 CB LEU A 41 -13.904 8.736 -8.397 1.00 12.25 C ATOM 544 CG LEU A 41 -12.377 8.709 -8.347 1.00 12.23 C ATOM 545 CD1 LEU A 41 -11.789 9.489 -9.512 1.00 12.99 C ATOM 546 CD2 LEU A 41 -11.883 9.270 -7.023 1.00 11.79 C ATOM 0 H LEU A 41 -13.754 6.310 -8.737 1.00 11.77 H new ATOM 0 HA LEU A 41 -14.198 7.855 -6.456 1.00 11.76 H new ATOM 0 HB2 LEU A 41 -14.223 8.535 -9.420 1.00 12.25 H new ATOM 0 HB3 LEU A 41 -14.243 9.742 -8.150 1.00 12.25 H new ATOM 0 HG LEU A 41 -12.046 7.674 -8.430 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -10.701 9.458 -9.458 1.00 12.99 H new ATOM 0 HD12 LEU A 41 -12.119 9.045 -10.451 1.00 12.99 H new ATOM 0 HD13 LEU A 41 -12.125 10.525 -9.463 1.00 12.99 H new ATOM 0 HD21 LEU A 41 -10.794 9.245 -7.001 1.00 11.79 H new ATOM 0 HD22 LEU A 41 -12.224 10.299 -6.914 1.00 11.79 H new ATOM 0 HD23 LEU A 41 -12.276 8.669 -6.204 1.00 11.79 H new ATOM 558 N GLY A 42 -16.584 8.391 -6.242 1.00 12.24 N ATOM 559 CA GLY A 42 -17.997 8.687 -6.088 1.00 12.82 C ATOM 560 C GLY A 42 -18.826 7.442 -5.835 1.00 13.07 C ATOM 561 O GLY A 42 -20.054 7.506 -5.751 1.00 13.39 O ATOM 0 H GLY A 42 -16.031 8.484 -5.390 1.00 12.24 H new ATOM 0 HA2 GLY A 42 -18.131 9.384 -5.260 1.00 12.82 H new ATOM 0 HA3 GLY A 42 -18.361 9.186 -6.986 1.00 12.82 H new ATOM 565 N LYS A 43 -18.157 6.304 -5.724 1.00 13.04 N ATOM 566 CA LYS A 43 -18.831 5.042 -5.475 1.00 13.33 C ATOM 567 C LYS A 43 -18.477 4.519 -4.093 1.00 12.82 C ATOM 568 O LYS A 43 -17.512 4.970 -3.475 1.00 13.01 O ATOM 569 CB LYS A 43 -18.447 4.009 -6.540 1.00 13.98 C ATOM 570 CG LYS A 43 -19.000 4.315 -7.926 1.00 15.04 C ATOM 571 CD LYS A 43 -20.415 3.786 -8.089 1.00 15.77 C ATOM 572 CE LYS A 43 -21.442 4.745 -7.511 1.00 16.37 C ATOM 573 NZ LYS A 43 -22.740 4.073 -7.249 1.00 16.87 N ATOM 0 H LYS A 43 -17.143 6.231 -5.803 1.00 13.04 H new ATOM 0 HA LYS A 43 -19.907 5.211 -5.524 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -17.360 3.949 -6.599 1.00 13.98 H new ATOM 0 HB3 LYS A 43 -18.804 3.028 -6.226 1.00 13.98 H new ATOM 0 HG2 LYS A 43 -18.991 5.392 -8.093 1.00 15.04 H new ATOM 0 HG3 LYS A 43 -18.354 3.870 -8.683 1.00 15.04 H new ATOM 0 HD2 LYS A 43 -20.623 3.623 -9.146 1.00 15.77 H new ATOM 0 HD3 LYS A 43 -20.501 2.818 -7.594 1.00 15.77 H new ATOM 0 HE2 LYS A 43 -21.060 5.171 -6.583 1.00 16.37 H new ATOM 0 HE3 LYS A 43 -21.595 5.573 -8.203 1.00 16.37 H new ATOM 0 HZ1 LYS A 43 -23.214 4.535 -6.447 1.00 16.87 H new ATOM 0 HZ2 LYS A 43 -23.343 4.141 -8.094 1.00 16.87 H new ATOM 0 HZ3 LYS A 43 -22.573 3.072 -7.023 1.00 16.87 H new ATOM 587 N ASN A 44 -19.271 3.578 -3.608 1.00 12.28 N ATOM 588 CA ASN A 44 -19.044 2.981 -2.304 1.00 11.87 C ATOM 589 C ASN A 44 -18.276 1.679 -2.455 1.00 11.67 C ATOM 590 O ASN A 44 -18.564 0.879 -3.344 1.00 11.82 O ATOM 591 CB ASN A 44 -20.372 2.714 -1.586 1.00 11.97 C ATOM 592 CG ASN A 44 -20.910 3.937 -0.873 1.00 12.28 C ATOM 593 OD1 ASN A 44 -21.657 4.730 -1.446 1.00 12.50 O ATOM 594 ND2 ASN A 44 -20.549 4.093 0.390 1.00 12.46 N ATOM 0 H ASN A 44 -20.084 3.210 -4.103 1.00 12.28 H new ATOM 0 HA ASN A 44 -18.460 3.681 -1.707 1.00 11.87 H new ATOM 0 HB2 ASN A 44 -21.109 2.368 -2.311 1.00 11.97 H new ATOM 0 HB3 ASN A 44 -20.234 1.909 -0.864 1.00 11.97 H new ATOM 0 HD21 ASN A 44 -20.892 4.892 0.923 1.00 12.46 H new ATOM 0 HD22 ASN A 44 -19.928 3.414 0.831 1.00 12.46 H new ATOM 601 N ILE A 45 -17.304 1.467 -1.582 1.00 11.52 N ATOM 602 CA ILE A 45 -16.490 0.257 -1.617 1.00 11.55 C ATOM 603 C ILE A 45 -17.343 -0.989 -1.353 1.00 11.53 C ATOM 604 O ILE A 45 -17.001 -2.094 -1.772 1.00 11.49 O ATOM 605 CB ILE A 45 -15.336 0.344 -0.589 1.00 11.20 C ATOM 606 CG1 ILE A 45 -14.394 -0.860 -0.720 1.00 11.40 C ATOM 607 CG2 ILE A 45 -15.882 0.454 0.828 1.00 11.02 C ATOM 608 CD1 ILE A 45 -13.127 -0.731 0.100 1.00 11.72 C ATOM 0 H ILE A 45 -17.057 2.118 -0.837 1.00 11.52 H new ATOM 0 HA ILE A 45 -16.062 0.172 -2.616 1.00 11.55 H new ATOM 0 HB ILE A 45 -14.761 1.245 -0.801 1.00 11.20 H new ATOM 0 HG12 ILE A 45 -14.925 -1.761 -0.413 1.00 11.40 H new ATOM 0 HG13 ILE A 45 -14.126 -0.989 -1.769 1.00 11.40 H new ATOM 0 HG21 ILE A 45 -15.053 0.514 1.534 1.00 11.02 H new ATOM 0 HG22 ILE A 45 -16.496 1.350 0.913 1.00 11.02 H new ATOM 0 HG23 ILE A 45 -16.488 -0.424 1.054 1.00 11.02 H new ATOM 0 HD11 ILE A 45 -12.510 -1.618 -0.042 1.00 11.72 H new ATOM 0 HD12 ILE A 45 -12.574 0.151 -0.222 1.00 11.72 H new ATOM 0 HD13 ILE A 45 -13.385 -0.633 1.155 1.00 11.72 H new ATOM 620 N VAL A 46 -18.474 -0.796 -0.689 1.00 11.77 N ATOM 621 CA VAL A 46 -19.371 -1.897 -0.366 1.00 11.99 C ATOM 622 C VAL A 46 -20.220 -2.303 -1.578 1.00 12.29 C ATOM 623 O VAL A 46 -20.788 -3.396 -1.610 1.00 12.37 O ATOM 624 CB VAL A 46 -20.287 -1.525 0.822 1.00 12.37 C ATOM 625 CG1 VAL A 46 -21.359 -0.535 0.394 1.00 12.89 C ATOM 626 CG2 VAL A 46 -20.904 -2.771 1.442 1.00 12.52 C ATOM 0 H VAL A 46 -18.793 0.116 -0.362 1.00 11.77 H new ATOM 0 HA VAL A 46 -18.754 -2.750 -0.083 1.00 11.99 H new ATOM 0 HB VAL A 46 -19.674 -1.042 1.583 1.00 12.37 H new ATOM 0 HG11 VAL A 46 -21.990 -0.290 1.248 1.00 12.89 H new ATOM 0 HG12 VAL A 46 -20.887 0.373 0.019 1.00 12.89 H new ATOM 0 HG13 VAL A 46 -21.970 -0.978 -0.393 1.00 12.89 H new ATOM 0 HG21 VAL A 46 -21.544 -2.484 2.276 1.00 12.52 H new ATOM 0 HG22 VAL A 46 -21.497 -3.295 0.692 1.00 12.52 H new ATOM 0 HG23 VAL A 46 -20.113 -3.428 1.802 1.00 12.52 H new ATOM 636 N GLU A 47 -20.281 -1.432 -2.582 1.00 12.64 N ATOM 637 CA GLU A 47 -21.064 -1.706 -3.783 1.00 13.14 C ATOM 638 C GLU A 47 -20.429 -2.825 -4.600 1.00 12.83 C ATOM 639 O GLU A 47 -21.120 -3.695 -5.128 1.00 12.91 O ATOM 640 CB GLU A 47 -21.187 -0.448 -4.644 1.00 14.14 C ATOM 641 CG GLU A 47 -22.043 0.642 -4.024 1.00 14.73 C ATOM 642 CD GLU A 47 -22.254 1.815 -4.958 1.00 15.67 C ATOM 643 OE1 GLU A 47 -23.119 1.724 -5.853 1.00 16.53 O ATOM 644 OE2 GLU A 47 -21.558 2.840 -4.810 1.00 15.65 O ATOM 0 H GLU A 47 -19.799 -0.533 -2.588 1.00 12.64 H new ATOM 0 HA GLU A 47 -22.059 -2.021 -3.468 1.00 13.14 H new ATOM 0 HB2 GLU A 47 -20.190 -0.050 -4.832 1.00 14.14 H new ATOM 0 HB3 GLU A 47 -21.609 -0.722 -5.611 1.00 14.14 H new ATOM 0 HG2 GLU A 47 -23.011 0.225 -3.745 1.00 14.73 H new ATOM 0 HG3 GLU A 47 -21.571 0.993 -3.106 1.00 14.73 H new ATOM 651 N PHE A 48 -19.108 -2.809 -4.678 1.00 12.62 N ATOM 652 CA PHE A 48 -18.376 -3.813 -5.437 1.00 12.47 C ATOM 653 C PHE A 48 -17.862 -4.907 -4.512 1.00 11.91 C ATOM 654 O PHE A 48 -16.893 -5.601 -4.822 1.00 11.81 O ATOM 655 CB PHE A 48 -17.211 -3.167 -6.190 1.00 12.62 C ATOM 656 CG PHE A 48 -17.588 -1.896 -6.896 1.00 14.11 C ATOM 657 CD1 PHE A 48 -18.259 -1.933 -8.107 1.00 14.39 C ATOM 658 CD2 PHE A 48 -17.276 -0.664 -6.344 1.00 14.61 C ATOM 659 CE1 PHE A 48 -18.613 -0.764 -8.754 1.00 15.13 C ATOM 660 CE2 PHE A 48 -17.626 0.507 -6.986 1.00 15.34 C ATOM 661 CZ PHE A 48 -18.295 0.458 -8.193 1.00 14.85 C ATOM 0 H PHE A 48 -18.519 -2.111 -4.224 1.00 12.62 H new ATOM 0 HA PHE A 48 -19.055 -4.261 -6.163 1.00 12.47 H new ATOM 0 HB2 PHE A 48 -16.405 -2.958 -5.487 1.00 12.62 H new ATOM 0 HB3 PHE A 48 -16.821 -3.877 -6.919 1.00 12.62 H new ATOM 0 HD1 PHE A 48 -18.508 -2.886 -8.551 1.00 14.39 H new ATOM 0 HD2 PHE A 48 -16.753 -0.619 -5.400 1.00 14.61 H new ATOM 0 HE1 PHE A 48 -19.138 -0.806 -9.697 1.00 15.13 H new ATOM 0 HE2 PHE A 48 -17.377 1.461 -6.545 1.00 15.34 H new ATOM 0 HZ PHE A 48 -18.569 1.373 -8.697 1.00 14.85 H new ATOM 671 N CYS A 49 -18.521 -5.059 -3.379 1.00 11.77 N ATOM 672 CA CYS A 49 -18.141 -6.063 -2.405 1.00 11.49 C ATOM 673 C CYS A 49 -19.120 -7.227 -2.446 1.00 11.83 C ATOM 674 O CYS A 49 -20.304 -7.040 -2.738 1.00 11.97 O ATOM 675 CB CYS A 49 -18.106 -5.452 -1.001 1.00 11.25 C ATOM 676 SG CYS A 49 -17.602 -6.601 0.302 1.00 11.37 S ATOM 0 H CYS A 49 -19.327 -4.495 -3.110 1.00 11.77 H new ATOM 0 HA CYS A 49 -17.145 -6.431 -2.651 1.00 11.49 H new ATOM 0 HB2 CYS A 49 -17.422 -4.603 -1.004 1.00 11.25 H new ATOM 0 HB3 CYS A 49 -19.096 -5.063 -0.763 1.00 11.25 H new ATOM 0 HG CYS A 49 -16.328 -6.838 0.203 1.00 11.37 H new ATOM 682 N HIS A 50 -18.615 -8.425 -2.180 1.00 12.10 N ATOM 683 CA HIS A 50 -19.436 -9.628 -2.166 1.00 12.66 C ATOM 684 C HIS A 50 -20.552 -9.479 -1.133 1.00 12.75 C ATOM 685 O HIS A 50 -20.278 -9.154 0.015 1.00 12.20 O ATOM 686 CB HIS A 50 -18.552 -10.837 -1.835 1.00 13.24 C ATOM 687 CG HIS A 50 -19.198 -12.170 -2.050 1.00 13.78 C ATOM 688 ND1 HIS A 50 -19.054 -13.215 -1.169 1.00 14.15 N ATOM 689 CD2 HIS A 50 -19.965 -12.637 -3.063 1.00 14.13 C ATOM 690 CE1 HIS A 50 -19.700 -14.267 -1.628 1.00 14.67 C ATOM 691 NE2 HIS A 50 -20.267 -13.945 -2.776 1.00 14.65 N ATOM 0 H HIS A 50 -17.631 -8.589 -1.969 1.00 12.10 H new ATOM 0 HA HIS A 50 -19.891 -9.778 -3.145 1.00 12.66 H new ATOM 0 HB2 HIS A 50 -17.649 -10.785 -2.443 1.00 13.24 H new ATOM 0 HB3 HIS A 50 -18.239 -10.765 -0.793 1.00 13.24 H new ATOM 0 HD1 HIS A 50 -18.529 -13.181 -0.295 1.00 14.15 H new ATOM 0 HD2 HIS A 50 -20.281 -12.083 -3.935 1.00 14.13 H new ATOM 0 HE1 HIS A 50 -19.756 -15.232 -1.146 1.00 14.67 H new ATOM 700 N PRO A 51 -21.818 -9.700 -1.532 1.00 13.57 N ATOM 701 CA PRO A 51 -22.980 -9.574 -0.639 1.00 13.93 C ATOM 702 C PRO A 51 -22.766 -10.196 0.744 1.00 14.09 C ATOM 703 O PRO A 51 -22.984 -9.540 1.761 1.00 14.26 O ATOM 704 CB PRO A 51 -24.075 -10.309 -1.404 1.00 14.93 C ATOM 705 CG PRO A 51 -23.731 -10.096 -2.836 1.00 15.15 C ATOM 706 CD PRO A 51 -22.227 -10.067 -2.903 1.00 14.35 C ATOM 0 HA PRO A 51 -23.207 -8.531 -0.419 1.00 13.93 H new ATOM 0 HB2 PRO A 51 -24.092 -11.370 -1.153 1.00 14.93 H new ATOM 0 HB3 PRO A 51 -25.061 -9.909 -1.168 1.00 14.93 H new ATOM 0 HG2 PRO A 51 -24.134 -10.896 -3.457 1.00 15.15 H new ATOM 0 HG3 PRO A 51 -24.156 -9.162 -3.204 1.00 15.15 H new ATOM 0 HD2 PRO A 51 -21.821 -11.036 -3.195 1.00 14.35 H new ATOM 0 HD3 PRO A 51 -21.873 -9.340 -3.634 1.00 14.35 H new ATOM 714 N GLU A 52 -22.313 -11.445 0.783 1.00 14.17 N ATOM 715 CA GLU A 52 -22.080 -12.140 2.053 1.00 14.44 C ATOM 716 C GLU A 52 -20.877 -11.579 2.815 1.00 13.87 C ATOM 717 O GLU A 52 -20.585 -12.011 3.929 1.00 14.17 O ATOM 718 CB GLU A 52 -21.876 -13.637 1.819 1.00 15.45 C ATOM 719 CG GLU A 52 -23.056 -14.316 1.153 1.00 16.21 C ATOM 720 CD GLU A 52 -22.880 -14.440 -0.344 1.00 16.09 C ATOM 721 OE1 GLU A 52 -23.167 -13.459 -1.062 1.00 15.73 O ATOM 722 OE2 GLU A 52 -22.444 -15.516 -0.807 1.00 16.47 O ATOM 0 H GLU A 52 -22.099 -11.999 -0.046 1.00 14.17 H new ATOM 0 HA GLU A 52 -22.969 -11.978 2.662 1.00 14.44 H new ATOM 0 HB2 GLU A 52 -20.989 -13.782 1.202 1.00 15.45 H new ATOM 0 HB3 GLU A 52 -21.681 -14.122 2.776 1.00 15.45 H new ATOM 0 HG2 GLU A 52 -23.191 -15.308 1.584 1.00 16.21 H new ATOM 0 HG3 GLU A 52 -23.964 -13.750 1.364 1.00 16.21 H new ATOM 729 N ASP A 53 -20.181 -10.620 2.226 1.00 13.16 N ATOM 730 CA ASP A 53 -19.014 -10.023 2.865 1.00 12.70 C ATOM 731 C ASP A 53 -19.206 -8.522 3.055 1.00 12.63 C ATOM 732 O ASP A 53 -18.320 -7.833 3.561 1.00 12.77 O ATOM 733 CB ASP A 53 -17.756 -10.283 2.034 1.00 12.21 C ATOM 734 CG ASP A 53 -17.379 -11.750 1.988 1.00 12.39 C ATOM 735 OD1 ASP A 53 -16.688 -12.222 2.912 1.00 11.90 O ATOM 736 OD2 ASP A 53 -17.772 -12.444 1.023 1.00 13.14 O ATOM 0 H ASP A 53 -20.402 -10.237 1.307 1.00 13.16 H new ATOM 0 HA ASP A 53 -18.895 -10.486 3.845 1.00 12.70 H new ATOM 0 HB2 ASP A 53 -17.915 -9.921 1.018 1.00 12.21 H new ATOM 0 HB3 ASP A 53 -16.926 -9.712 2.450 1.00 12.21 H new ATOM 741 N GLN A 54 -20.373 -8.026 2.660 1.00 12.56 N ATOM 742 CA GLN A 54 -20.684 -6.604 2.773 1.00 12.69 C ATOM 743 C GLN A 54 -20.692 -6.149 4.232 1.00 12.06 C ATOM 744 O GLN A 54 -20.091 -5.129 4.575 1.00 11.70 O ATOM 745 CB GLN A 54 -22.023 -6.298 2.098 1.00 13.60 C ATOM 746 CG GLN A 54 -21.931 -6.273 0.579 1.00 14.35 C ATOM 747 CD GLN A 54 -23.244 -5.921 -0.089 1.00 15.27 C ATOM 748 OE1 GLN A 54 -24.319 -6.276 0.395 1.00 15.83 O ATOM 749 NE2 GLN A 54 -23.165 -5.212 -1.204 1.00 15.52 N ATOM 0 H GLN A 54 -21.122 -8.589 2.257 1.00 12.56 H new ATOM 0 HA GLN A 54 -19.901 -6.045 2.261 1.00 12.69 H new ATOM 0 HB2 GLN A 54 -22.755 -7.047 2.400 1.00 13.60 H new ATOM 0 HB3 GLN A 54 -22.389 -5.334 2.450 1.00 13.60 H new ATOM 0 HG2 GLN A 54 -21.172 -5.551 0.279 1.00 14.35 H new ATOM 0 HG3 GLN A 54 -21.600 -7.249 0.225 1.00 14.35 H new ATOM 0 HE21 GLN A 54 -22.253 -4.938 -1.571 1.00 15.52 H new ATOM 0 HE22 GLN A 54 -24.016 -4.939 -1.696 1.00 15.52 H new ATOM 758 N GLN A 55 -21.364 -6.906 5.093 1.00 12.07 N ATOM 759 CA GLN A 55 -21.418 -6.578 6.513 1.00 11.64 C ATOM 760 C GLN A 55 -20.044 -6.794 7.140 1.00 11.18 C ATOM 761 O GLN A 55 -19.635 -6.055 8.034 1.00 11.47 O ATOM 762 CB GLN A 55 -22.486 -7.421 7.227 1.00 12.30 C ATOM 763 CG GLN A 55 -22.556 -7.192 8.733 1.00 13.09 C ATOM 764 CD GLN A 55 -22.686 -5.727 9.111 1.00 13.56 C ATOM 765 OE1 GLN A 55 -23.250 -4.926 8.364 1.00 13.71 O ATOM 766 NE2 GLN A 55 -22.162 -5.366 10.273 1.00 13.94 N ATOM 0 H GLN A 55 -21.877 -7.748 4.833 1.00 12.07 H new ATOM 0 HA GLN A 55 -21.696 -5.530 6.625 1.00 11.64 H new ATOM 0 HB2 GLN A 55 -23.460 -7.199 6.791 1.00 12.30 H new ATOM 0 HB3 GLN A 55 -22.286 -8.476 7.040 1.00 12.30 H new ATOM 0 HG2 GLN A 55 -23.406 -7.742 9.138 1.00 13.09 H new ATOM 0 HG3 GLN A 55 -21.660 -7.602 9.198 1.00 13.09 H new ATOM 0 HE21 GLN A 55 -21.703 -6.060 10.863 1.00 13.94 H new ATOM 0 HE22 GLN A 55 -22.218 -4.394 10.578 1.00 13.94 H new ATOM 775 N LEU A 56 -19.334 -7.805 6.649 1.00 10.67 N ATOM 776 CA LEU A 56 -17.991 -8.117 7.128 1.00 10.41 C ATOM 777 C LEU A 56 -17.084 -6.904 6.950 1.00 9.74 C ATOM 778 O LEU A 56 -16.271 -6.576 7.821 1.00 10.08 O ATOM 779 CB LEU A 56 -17.425 -9.314 6.360 1.00 10.70 C ATOM 780 CG LEU A 56 -16.003 -9.720 6.740 1.00 11.52 C ATOM 781 CD1 LEU A 56 -16.008 -10.542 8.019 1.00 12.11 C ATOM 782 CD2 LEU A 56 -15.353 -10.493 5.603 1.00 11.94 C ATOM 0 H LEU A 56 -19.670 -8.427 5.914 1.00 10.67 H new ATOM 0 HA LEU A 56 -18.041 -8.371 8.187 1.00 10.41 H new ATOM 0 HB2 LEU A 56 -18.083 -10.169 6.516 1.00 10.70 H new ATOM 0 HB3 LEU A 56 -17.447 -9.085 5.295 1.00 10.70 H new ATOM 0 HG LEU A 56 -15.418 -8.818 6.919 1.00 11.52 H new ATOM 0 HD11 LEU A 56 -14.986 -10.823 8.275 1.00 12.11 H new ATOM 0 HD12 LEU A 56 -16.436 -9.952 8.829 1.00 12.11 H new ATOM 0 HD13 LEU A 56 -16.605 -11.442 7.871 1.00 12.11 H new ATOM 0 HD21 LEU A 56 -14.340 -10.776 5.888 1.00 11.94 H new ATOM 0 HD22 LEU A 56 -15.935 -11.391 5.394 1.00 11.94 H new ATOM 0 HD23 LEU A 56 -15.318 -9.867 4.711 1.00 11.94 H new ATOM 794 N LEU A 57 -17.240 -6.236 5.812 1.00 9.01 N ATOM 795 CA LEU A 57 -16.462 -5.046 5.507 1.00 8.57 C ATOM 796 C LEU A 57 -16.840 -3.918 6.458 1.00 8.01 C ATOM 797 O LEU A 57 -15.971 -3.255 7.023 1.00 7.76 O ATOM 798 CB LEU A 57 -16.699 -4.603 4.061 1.00 8.96 C ATOM 799 CG LEU A 57 -15.446 -4.537 3.184 1.00 9.22 C ATOM 800 CD1 LEU A 57 -15.755 -3.834 1.873 1.00 9.38 C ATOM 801 CD2 LEU A 57 -14.311 -3.828 3.909 1.00 9.71 C ATOM 0 H LEU A 57 -17.903 -6.502 5.084 1.00 9.01 H new ATOM 0 HA LEU A 57 -15.406 -5.284 5.631 1.00 8.57 H new ATOM 0 HB2 LEU A 57 -17.410 -5.289 3.600 1.00 8.96 H new ATOM 0 HB3 LEU A 57 -17.167 -3.619 4.072 1.00 8.96 H new ATOM 0 HG LEU A 57 -15.128 -5.557 2.969 1.00 9.22 H new ATOM 0 HD11 LEU A 57 -14.854 -3.795 1.260 1.00 9.38 H new ATOM 0 HD12 LEU A 57 -16.533 -4.382 1.341 1.00 9.38 H new ATOM 0 HD13 LEU A 57 -16.100 -2.820 2.076 1.00 9.38 H new ATOM 0 HD21 LEU A 57 -13.433 -3.794 3.265 1.00 9.71 H new ATOM 0 HD22 LEU A 57 -14.617 -2.812 4.159 1.00 9.71 H new ATOM 0 HD23 LEU A 57 -14.069 -4.369 4.824 1.00 9.71 H new ATOM 813 N ARG A 58 -18.142 -3.724 6.649 1.00 8.00 N ATOM 814 CA ARG A 58 -18.639 -2.674 7.531 1.00 7.77 C ATOM 815 C ARG A 58 -18.160 -2.898 8.963 1.00 7.79 C ATOM 816 O ARG A 58 -17.727 -1.963 9.636 1.00 7.99 O ATOM 817 CB ARG A 58 -20.167 -2.611 7.499 1.00 8.25 C ATOM 818 CG ARG A 58 -20.724 -1.406 8.235 1.00 8.49 C ATOM 819 CD ARG A 58 -22.230 -1.487 8.402 1.00 9.14 C ATOM 820 NE ARG A 58 -22.735 -0.388 9.217 1.00 9.67 N ATOM 821 CZ ARG A 58 -23.994 -0.280 9.635 1.00 10.46 C ATOM 822 NH1 ARG A 58 -24.902 -1.181 9.276 1.00 10.80 N ATOM 823 NH2 ARG A 58 -24.339 0.742 10.404 1.00 11.06 N ATOM 0 H ARG A 58 -18.872 -4.281 6.204 1.00 8.00 H new ATOM 0 HA ARG A 58 -18.243 -1.724 7.172 1.00 7.77 H new ATOM 0 HB2 ARG A 58 -20.503 -2.584 6.462 1.00 8.25 H new ATOM 0 HB3 ARG A 58 -20.572 -3.521 7.942 1.00 8.25 H new ATOM 0 HG2 ARG A 58 -20.254 -1.331 9.216 1.00 8.49 H new ATOM 0 HG3 ARG A 58 -20.468 -0.498 7.689 1.00 8.49 H new ATOM 0 HD2 ARG A 58 -22.708 -1.465 7.423 1.00 9.14 H new ATOM 0 HD3 ARG A 58 -22.496 -2.437 8.865 1.00 9.14 H new ATOM 0 HE ARG A 58 -22.080 0.347 9.484 1.00 9.67 H new ATOM 0 HH11 ARG A 58 -24.636 -1.962 8.676 1.00 10.80 H new ATOM 0 HH12 ARG A 58 -25.865 -1.092 9.600 1.00 10.80 H new ATOM 0 HH21 ARG A 58 -23.642 1.438 10.671 1.00 11.06 H new ATOM 0 HH22 ARG A 58 -25.301 0.833 10.729 1.00 11.06 H new ATOM 837 N ASP A 59 -18.232 -4.146 9.417 1.00 7.90 N ATOM 838 CA ASP A 59 -17.797 -4.501 10.768 1.00 8.29 C ATOM 839 C ASP A 59 -16.330 -4.144 10.961 1.00 8.20 C ATOM 840 O ASP A 59 -15.924 -3.662 12.020 1.00 8.39 O ATOM 841 CB ASP A 59 -18.007 -5.996 11.027 1.00 8.86 C ATOM 842 CG ASP A 59 -17.568 -6.409 12.419 1.00 9.31 C ATOM 843 OD1 ASP A 59 -18.122 -5.877 13.405 1.00 9.71 O ATOM 844 OD2 ASP A 59 -16.671 -7.269 12.535 1.00 9.46 O ATOM 0 H ASP A 59 -18.587 -4.930 8.870 1.00 7.90 H new ATOM 0 HA ASP A 59 -18.398 -3.935 11.480 1.00 8.29 H new ATOM 0 HB2 ASP A 59 -19.061 -6.240 10.894 1.00 8.86 H new ATOM 0 HB3 ASP A 59 -17.450 -6.572 10.288 1.00 8.86 H new ATOM 849 N SER A 60 -15.542 -4.374 9.922 1.00 8.16 N ATOM 850 CA SER A 60 -14.121 -4.063 9.956 1.00 8.37 C ATOM 851 C SER A 60 -13.899 -2.550 9.899 1.00 8.73 C ATOM 852 O SER A 60 -12.963 -2.028 10.508 1.00 9.52 O ATOM 853 CB SER A 60 -13.405 -4.756 8.795 1.00 8.66 C ATOM 854 OG SER A 60 -13.630 -6.158 8.826 1.00 8.89 O ATOM 0 H SER A 60 -15.864 -4.776 9.042 1.00 8.16 H new ATOM 0 HA SER A 60 -13.705 -4.431 10.894 1.00 8.37 H new ATOM 0 HB2 SER A 60 -13.759 -4.348 7.848 1.00 8.66 H new ATOM 0 HB3 SER A 60 -12.335 -4.554 8.849 1.00 8.66 H new ATOM 0 HG SER A 60 -14.530 -6.352 8.490 1.00 8.89 H new ATOM 860 N PHE A 61 -14.770 -1.851 9.174 1.00 8.33 N ATOM 861 CA PHE A 61 -14.679 -0.400 9.060 1.00 8.80 C ATOM 862 C PHE A 61 -14.903 0.249 10.418 1.00 8.83 C ATOM 863 O PHE A 61 -14.151 1.127 10.828 1.00 9.18 O ATOM 864 CB PHE A 61 -15.699 0.138 8.053 1.00 9.15 C ATOM 865 CG PHE A 61 -15.265 0.011 6.620 1.00 9.81 C ATOM 866 CD1 PHE A 61 -13.928 0.127 6.271 1.00 10.30 C ATOM 867 CD2 PHE A 61 -16.196 -0.221 5.620 1.00 10.14 C ATOM 868 CE1 PHE A 61 -13.529 0.014 4.953 1.00 11.11 C ATOM 869 CE2 PHE A 61 -15.803 -0.334 4.300 1.00 10.92 C ATOM 870 CZ PHE A 61 -14.467 -0.215 3.967 1.00 11.40 C ATOM 0 H PHE A 61 -15.545 -2.267 8.658 1.00 8.33 H new ATOM 0 HA PHE A 61 -13.679 -0.152 8.703 1.00 8.80 H new ATOM 0 HB2 PHE A 61 -16.641 -0.394 8.186 1.00 9.15 H new ATOM 0 HB3 PHE A 61 -15.892 1.188 8.272 1.00 9.15 H new ATOM 0 HD1 PHE A 61 -13.190 0.308 7.038 1.00 10.30 H new ATOM 0 HD2 PHE A 61 -17.241 -0.315 5.875 1.00 10.14 H new ATOM 0 HE1 PHE A 61 -12.484 0.105 4.695 1.00 11.11 H new ATOM 0 HE2 PHE A 61 -16.538 -0.515 3.530 1.00 10.92 H new ATOM 0 HZ PHE A 61 -14.157 -0.301 2.936 1.00 11.40 H new ATOM 880 N GLN A 62 -15.928 -0.205 11.126 1.00 8.73 N ATOM 881 CA GLN A 62 -16.233 0.337 12.441 1.00 9.08 C ATOM 882 C GLN A 62 -15.091 0.037 13.404 1.00 9.26 C ATOM 883 O GLN A 62 -14.787 0.831 14.293 1.00 9.50 O ATOM 884 CB GLN A 62 -17.548 -0.236 12.979 1.00 9.51 C ATOM 885 CG GLN A 62 -18.731 -0.048 12.041 1.00 9.32 C ATOM 886 CD GLN A 62 -18.906 1.390 11.582 1.00 9.53 C ATOM 887 OE1 GLN A 62 -18.593 2.339 12.449 1.00 9.42 O flip ATOM 888 NE2 GLN A 62 -19.338 1.644 10.458 1.00 10.04 N flip ATOM 0 H GLN A 62 -16.559 -0.943 10.813 1.00 8.73 H new ATOM 0 HA GLN A 62 -16.348 1.417 12.350 1.00 9.08 H new ATOM 0 HB2 GLN A 62 -17.417 -1.300 13.174 1.00 9.51 H new ATOM 0 HB3 GLN A 62 -17.775 0.237 13.934 1.00 9.51 H new ATOM 0 HG2 GLN A 62 -18.600 -0.688 11.168 1.00 9.32 H new ATOM 0 HG3 GLN A 62 -19.641 -0.376 12.543 1.00 9.32 H new ATOM 0 HE21 GLN A 62 -19.568 0.885 9.817 1.00 10.04 H new ATOM 0 HE22 GLN A 62 -19.466 2.613 10.168 1.00 10.04 H new ATOM 897 N GLN A 63 -14.449 -1.108 13.200 1.00 9.36 N ATOM 898 CA GLN A 63 -13.332 -1.521 14.037 1.00 9.71 C ATOM 899 C GLN A 63 -12.156 -0.564 13.878 1.00 10.03 C ATOM 900 O GLN A 63 -11.601 -0.088 14.865 1.00 10.60 O ATOM 901 CB GLN A 63 -12.890 -2.942 13.690 1.00 9.50 C ATOM 902 CG GLN A 63 -13.653 -4.020 14.435 1.00 9.75 C ATOM 903 CD GLN A 63 -13.273 -5.414 13.980 1.00 9.97 C ATOM 904 OE1 GLN A 63 -12.340 -6.021 14.504 1.00 10.06 O ATOM 905 NE2 GLN A 63 -13.995 -5.930 13.000 1.00 10.30 N ATOM 0 H GLN A 63 -14.685 -1.768 12.459 1.00 9.36 H new ATOM 0 HA GLN A 63 -13.667 -1.500 15.074 1.00 9.71 H new ATOM 0 HB2 GLN A 63 -13.012 -3.099 12.618 1.00 9.50 H new ATOM 0 HB3 GLN A 63 -11.827 -3.045 13.909 1.00 9.50 H new ATOM 0 HG2 GLN A 63 -13.461 -3.925 15.504 1.00 9.75 H new ATOM 0 HG3 GLN A 63 -14.723 -3.872 14.288 1.00 9.75 H new ATOM 0 HE21 GLN A 63 -14.761 -5.393 12.593 1.00 10.30 H new ATOM 0 HE22 GLN A 63 -13.787 -6.865 12.651 1.00 10.30 H new ATOM 914 N VAL A 64 -11.791 -0.267 12.630 1.00 9.80 N ATOM 915 CA VAL A 64 -10.668 0.628 12.358 1.00 10.18 C ATOM 916 C VAL A 64 -10.959 2.050 12.849 1.00 10.37 C ATOM 917 O VAL A 64 -10.036 2.803 13.180 1.00 10.25 O ATOM 918 CB VAL A 64 -10.283 0.639 10.857 1.00 10.36 C ATOM 919 CG1 VAL A 64 -11.236 1.485 10.027 1.00 10.34 C ATOM 920 CG2 VAL A 64 -8.854 1.120 10.678 1.00 10.62 C ATOM 0 H VAL A 64 -12.254 -0.631 11.797 1.00 9.80 H new ATOM 0 HA VAL A 64 -9.814 0.240 12.914 1.00 10.18 H new ATOM 0 HB VAL A 64 -10.361 -0.386 10.496 1.00 10.36 H new ATOM 0 HG11 VAL A 64 -10.926 1.463 8.982 1.00 10.34 H new ATOM 0 HG12 VAL A 64 -12.247 1.086 10.115 1.00 10.34 H new ATOM 0 HG13 VAL A 64 -11.219 2.513 10.389 1.00 10.34 H new ATOM 0 HG21 VAL A 64 -8.601 1.121 9.618 1.00 10.62 H new ATOM 0 HG22 VAL A 64 -8.758 2.130 11.075 1.00 10.62 H new ATOM 0 HG23 VAL A 64 -8.176 0.454 11.212 1.00 10.62 H new ATOM 930 N VAL A 65 -12.240 2.407 12.903 1.00 10.88 N ATOM 931 CA VAL A 65 -12.650 3.726 13.379 1.00 11.34 C ATOM 932 C VAL A 65 -12.388 3.836 14.880 1.00 11.77 C ATOM 933 O VAL A 65 -11.980 4.883 15.383 1.00 11.90 O ATOM 934 CB VAL A 65 -14.145 4.002 13.084 1.00 11.81 C ATOM 935 CG1 VAL A 65 -14.621 5.270 13.778 1.00 12.41 C ATOM 936 CG2 VAL A 65 -14.383 4.102 11.585 1.00 11.68 C ATOM 0 H VAL A 65 -13.012 1.802 12.623 1.00 10.88 H new ATOM 0 HA VAL A 65 -12.062 4.473 12.845 1.00 11.34 H new ATOM 0 HB VAL A 65 -14.721 3.165 13.478 1.00 11.81 H new ATOM 0 HG11 VAL A 65 -15.674 5.436 13.551 1.00 12.41 H new ATOM 0 HG12 VAL A 65 -14.494 5.165 14.855 1.00 12.41 H new ATOM 0 HG13 VAL A 65 -14.036 6.119 13.425 1.00 12.41 H new ATOM 0 HG21 VAL A 65 -15.439 4.296 11.396 1.00 11.68 H new ATOM 0 HG22 VAL A 65 -13.785 4.916 11.175 1.00 11.68 H new ATOM 0 HG23 VAL A 65 -14.095 3.165 11.108 1.00 11.68 H new ATOM 946 N LYS A 66 -12.611 2.736 15.587 1.00 12.17 N ATOM 947 CA LYS A 66 -12.389 2.690 17.024 1.00 12.79 C ATOM 948 C LYS A 66 -10.904 2.526 17.315 1.00 12.52 C ATOM 949 O LYS A 66 -10.399 3.024 18.322 1.00 12.98 O ATOM 950 CB LYS A 66 -13.167 1.535 17.650 1.00 13.48 C ATOM 951 CG LYS A 66 -14.672 1.634 17.459 1.00 14.09 C ATOM 952 CD LYS A 66 -15.325 0.263 17.518 1.00 14.62 C ATOM 953 CE LYS A 66 -15.192 -0.361 18.897 1.00 15.63 C ATOM 954 NZ LYS A 66 -15.297 -1.842 18.844 1.00 16.25 N ATOM 0 H LYS A 66 -12.947 1.861 15.185 1.00 12.17 H new ATOM 0 HA LYS A 66 -12.741 3.626 17.458 1.00 12.79 H new ATOM 0 HB2 LYS A 66 -12.816 0.597 17.219 1.00 13.48 H new ATOM 0 HB3 LYS A 66 -12.947 1.497 18.717 1.00 13.48 H new ATOM 0 HG2 LYS A 66 -15.098 2.276 18.230 1.00 14.09 H new ATOM 0 HG3 LYS A 66 -14.889 2.102 16.499 1.00 14.09 H new ATOM 0 HD2 LYS A 66 -16.380 0.350 17.258 1.00 14.62 H new ATOM 0 HD3 LYS A 66 -14.867 -0.391 16.776 1.00 14.62 H new ATOM 0 HE2 LYS A 66 -14.233 -0.080 19.332 1.00 15.63 H new ATOM 0 HE3 LYS A 66 -15.968 0.035 19.552 1.00 15.63 H new ATOM 0 HZ1 LYS A 66 -15.201 -2.231 19.804 1.00 16.25 H new ATOM 0 HZ2 LYS A 66 -16.222 -2.111 18.452 1.00 16.25 H new ATOM 0 HZ3 LYS A 66 -14.541 -2.222 18.239 1.00 16.25 H new ATOM 968 N LEU A 67 -10.213 1.809 16.430 1.00 11.90 N ATOM 969 CA LEU A 67 -8.781 1.576 16.572 1.00 11.71 C ATOM 970 C LEU A 67 -8.020 2.896 16.577 1.00 11.44 C ATOM 971 O LEU A 67 -7.292 3.192 17.526 1.00 11.79 O ATOM 972 CB LEU A 67 -8.268 0.686 15.438 1.00 11.29 C ATOM 973 CG LEU A 67 -8.653 -0.792 15.545 1.00 11.71 C ATOM 974 CD1 LEU A 67 -8.309 -1.529 14.261 1.00 11.30 C ATOM 975 CD2 LEU A 67 -7.957 -1.443 16.731 1.00 12.66 C ATOM 0 H LEU A 67 -10.627 1.378 15.603 1.00 11.90 H new ATOM 0 HA LEU A 67 -8.613 1.070 17.523 1.00 11.71 H new ATOM 0 HB2 LEU A 67 -8.645 1.076 14.493 1.00 11.29 H new ATOM 0 HB3 LEU A 67 -7.181 0.760 15.402 1.00 11.29 H new ATOM 0 HG LEU A 67 -9.730 -0.853 15.701 1.00 11.71 H new ATOM 0 HD11 LEU A 67 -8.590 -2.578 14.357 1.00 11.30 H new ATOM 0 HD12 LEU A 67 -8.852 -1.082 13.428 1.00 11.30 H new ATOM 0 HD13 LEU A 67 -7.237 -1.456 14.076 1.00 11.30 H new ATOM 0 HD21 LEU A 67 -8.244 -2.493 16.790 1.00 12.66 H new ATOM 0 HD22 LEU A 67 -6.877 -1.368 16.605 1.00 12.66 H new ATOM 0 HD23 LEU A 67 -8.251 -0.935 17.649 1.00 12.66 H new ATOM 987 N LYS A 68 -8.210 3.679 15.513 1.00 11.01 N ATOM 988 CA LYS A 68 -7.567 4.987 15.361 1.00 10.94 C ATOM 989 C LYS A 68 -6.043 4.878 15.310 1.00 10.41 C ATOM 990 O LYS A 68 -5.383 4.694 16.333 1.00 10.69 O ATOM 991 CB LYS A 68 -7.989 5.930 16.490 1.00 11.97 C ATOM 992 CG LYS A 68 -9.379 6.507 16.311 1.00 12.39 C ATOM 993 CD LYS A 68 -9.732 7.440 17.455 1.00 13.41 C ATOM 994 CE LYS A 68 -10.816 8.425 17.057 1.00 13.95 C ATOM 995 NZ LYS A 68 -10.897 9.562 18.007 1.00 14.83 N ATOM 0 H LYS A 68 -8.814 3.424 14.732 1.00 11.01 H new ATOM 0 HA LYS A 68 -7.900 5.397 14.408 1.00 10.94 H new ATOM 0 HB2 LYS A 68 -7.947 5.391 17.437 1.00 11.97 H new ATOM 0 HB3 LYS A 68 -7.271 6.748 16.557 1.00 11.97 H new ATOM 0 HG2 LYS A 68 -9.433 7.048 15.366 1.00 12.39 H new ATOM 0 HG3 LYS A 68 -10.108 5.699 16.258 1.00 12.39 H new ATOM 0 HD2 LYS A 68 -10.067 6.856 18.312 1.00 13.41 H new ATOM 0 HD3 LYS A 68 -8.842 7.985 17.769 1.00 13.41 H new ATOM 0 HE2 LYS A 68 -10.615 8.802 16.054 1.00 13.95 H new ATOM 0 HE3 LYS A 68 -11.777 7.913 17.019 1.00 13.95 H new ATOM 0 HZ1 LYS A 68 -11.510 10.302 17.611 1.00 14.83 H new ATOM 0 HZ2 LYS A 68 -11.292 9.232 18.911 1.00 14.83 H new ATOM 0 HZ3 LYS A 68 -9.945 9.950 18.166 1.00 14.83 H new ATOM 1009 N GLY A 69 -5.485 5.004 14.113 1.00 9.80 N ATOM 1010 CA GLY A 69 -4.047 4.920 13.963 1.00 9.42 C ATOM 1011 C GLY A 69 -3.567 3.489 13.864 1.00 9.15 C ATOM 1012 O GLY A 69 -2.394 3.197 14.096 1.00 9.55 O ATOM 0 H GLY A 69 -6.001 5.162 13.247 1.00 9.80 H new ATOM 0 HA2 GLY A 69 -3.744 5.466 13.070 1.00 9.42 H new ATOM 0 HA3 GLY A 69 -3.566 5.405 14.812 1.00 9.42 H new ATOM 1016 N GLN A 70 -4.480 2.598 13.521 1.00 8.62 N ATOM 1017 CA GLN A 70 -4.167 1.187 13.382 1.00 8.50 C ATOM 1018 C GLN A 70 -4.667 0.696 12.036 1.00 7.86 C ATOM 1019 O GLN A 70 -5.745 1.087 11.593 1.00 7.96 O ATOM 1020 CB GLN A 70 -4.804 0.380 14.524 1.00 8.66 C ATOM 1021 CG GLN A 70 -4.582 -1.125 14.417 1.00 9.04 C ATOM 1022 CD GLN A 70 -3.118 -1.517 14.500 1.00 8.99 C ATOM 1023 OE1 GLN A 70 -2.344 -0.773 15.270 1.00 8.60 O flip ATOM 1024 NE2 GLN A 70 -2.687 -2.485 13.877 1.00 9.59 N flip ATOM 0 H GLN A 70 -5.455 2.831 13.332 1.00 8.62 H new ATOM 0 HA GLN A 70 -3.087 1.049 13.436 1.00 8.50 H new ATOM 0 HB2 GLN A 70 -4.399 0.730 15.473 1.00 8.66 H new ATOM 0 HB3 GLN A 70 -5.876 0.579 14.542 1.00 8.66 H new ATOM 0 HG2 GLN A 70 -5.132 -1.625 15.214 1.00 9.04 H new ATOM 0 HG3 GLN A 70 -4.995 -1.481 13.473 1.00 9.04 H new ATOM 0 HE21 GLN A 70 -3.315 -3.036 13.292 1.00 9.59 H new ATOM 0 HE22 GLN A 70 -1.701 -2.737 13.945 1.00 9.59 H new ATOM 1033 N VAL A 71 -3.876 -0.135 11.381 1.00 7.44 N ATOM 1034 CA VAL A 71 -4.250 -0.672 10.085 1.00 7.11 C ATOM 1035 C VAL A 71 -4.862 -2.065 10.242 1.00 6.68 C ATOM 1036 O VAL A 71 -4.212 -2.997 10.725 1.00 6.65 O ATOM 1037 CB VAL A 71 -3.040 -0.705 9.117 1.00 7.45 C ATOM 1038 CG1 VAL A 71 -1.826 -1.355 9.766 1.00 8.10 C ATOM 1039 CG2 VAL A 71 -3.398 -1.410 7.820 1.00 7.17 C ATOM 0 H VAL A 71 -2.970 -0.453 11.726 1.00 7.44 H new ATOM 0 HA VAL A 71 -5.000 -0.012 9.649 1.00 7.11 H new ATOM 0 HB VAL A 71 -2.780 0.327 8.883 1.00 7.45 H new ATOM 0 HG11 VAL A 71 -0.996 -1.362 9.060 1.00 8.10 H new ATOM 0 HG12 VAL A 71 -1.542 -0.790 10.654 1.00 8.10 H new ATOM 0 HG13 VAL A 71 -2.069 -2.379 10.049 1.00 8.10 H new ATOM 0 HG21 VAL A 71 -2.531 -1.419 7.159 1.00 7.17 H new ATOM 0 HG22 VAL A 71 -3.701 -2.435 8.035 1.00 7.17 H new ATOM 0 HG23 VAL A 71 -4.219 -0.883 7.334 1.00 7.17 H new ATOM 1049 N LEU A 72 -6.123 -2.190 9.856 1.00 6.60 N ATOM 1050 CA LEU A 72 -6.837 -3.455 9.957 1.00 6.50 C ATOM 1051 C LEU A 72 -7.007 -4.083 8.579 1.00 6.09 C ATOM 1052 O LEU A 72 -7.667 -3.518 7.705 1.00 5.82 O ATOM 1053 CB LEU A 72 -8.208 -3.237 10.604 1.00 6.93 C ATOM 1054 CG LEU A 72 -9.019 -4.508 10.860 1.00 7.33 C ATOM 1055 CD1 LEU A 72 -8.325 -5.382 11.891 1.00 7.61 C ATOM 1056 CD2 LEU A 72 -10.425 -4.155 11.315 1.00 7.80 C ATOM 0 H LEU A 72 -6.676 -1.426 9.468 1.00 6.60 H new ATOM 0 HA LEU A 72 -6.253 -4.132 10.580 1.00 6.50 H new ATOM 0 HB2 LEU A 72 -8.066 -2.719 11.553 1.00 6.93 H new ATOM 0 HB3 LEU A 72 -8.792 -2.575 9.964 1.00 6.93 H new ATOM 0 HG LEU A 72 -9.090 -5.069 9.928 1.00 7.33 H new ATOM 0 HD11 LEU A 72 -8.915 -6.282 12.061 1.00 7.61 H new ATOM 0 HD12 LEU A 72 -7.336 -5.660 11.526 1.00 7.61 H new ATOM 0 HD13 LEU A 72 -8.225 -4.831 12.826 1.00 7.61 H new ATOM 0 HD21 LEU A 72 -10.990 -5.070 11.493 1.00 7.80 H new ATOM 0 HD22 LEU A 72 -10.374 -3.574 12.236 1.00 7.80 H new ATOM 0 HD23 LEU A 72 -10.921 -3.567 10.542 1.00 7.80 H new ATOM 1068 N SER A 73 -6.412 -5.252 8.395 1.00 6.37 N ATOM 1069 CA SER A 73 -6.489 -5.953 7.126 1.00 6.44 C ATOM 1070 C SER A 73 -7.641 -6.954 7.124 1.00 6.58 C ATOM 1071 O SER A 73 -7.574 -7.997 7.775 1.00 7.12 O ATOM 1072 CB SER A 73 -5.171 -6.673 6.849 1.00 7.06 C ATOM 1073 OG SER A 73 -4.065 -5.806 7.057 1.00 7.59 O ATOM 0 H SER A 73 -5.870 -5.735 9.111 1.00 6.37 H new ATOM 0 HA SER A 73 -6.672 -5.220 6.340 1.00 6.44 H new ATOM 0 HB2 SER A 73 -5.084 -7.543 7.500 1.00 7.06 H new ATOM 0 HB3 SER A 73 -5.162 -7.041 5.823 1.00 7.06 H new ATOM 0 HG SER A 73 -3.232 -6.289 6.875 1.00 7.59 H new ATOM 1079 N VAL A 74 -8.699 -6.626 6.398 1.00 6.36 N ATOM 1080 CA VAL A 74 -9.860 -7.496 6.302 1.00 6.77 C ATOM 1081 C VAL A 74 -9.816 -8.292 4.999 1.00 6.50 C ATOM 1082 O VAL A 74 -9.560 -7.740 3.928 1.00 6.07 O ATOM 1083 CB VAL A 74 -11.186 -6.698 6.396 1.00 7.13 C ATOM 1084 CG1 VAL A 74 -11.203 -5.537 5.411 1.00 6.85 C ATOM 1085 CG2 VAL A 74 -12.388 -7.607 6.171 1.00 7.84 C ATOM 0 H VAL A 74 -8.777 -5.760 5.865 1.00 6.36 H new ATOM 0 HA VAL A 74 -9.828 -8.184 7.147 1.00 6.77 H new ATOM 0 HB VAL A 74 -11.251 -6.287 7.403 1.00 7.13 H new ATOM 0 HG11 VAL A 74 -12.146 -4.997 5.501 1.00 6.85 H new ATOM 0 HG12 VAL A 74 -10.376 -4.862 5.630 1.00 6.85 H new ATOM 0 HG13 VAL A 74 -11.100 -5.920 4.396 1.00 6.85 H new ATOM 0 HG21 VAL A 74 -13.305 -7.022 6.242 1.00 7.84 H new ATOM 0 HG22 VAL A 74 -12.322 -8.059 5.181 1.00 7.84 H new ATOM 0 HG23 VAL A 74 -12.398 -8.391 6.928 1.00 7.84 H new ATOM 1095 N MET A 75 -10.036 -9.593 5.098 1.00 7.05 N ATOM 1096 CA MET A 75 -10.023 -10.456 3.928 1.00 7.23 C ATOM 1097 C MET A 75 -11.442 -10.803 3.512 1.00 7.58 C ATOM 1098 O MET A 75 -12.201 -11.390 4.284 1.00 8.07 O ATOM 1099 CB MET A 75 -9.233 -11.736 4.210 1.00 7.58 C ATOM 1100 CG MET A 75 -9.110 -12.657 3.006 1.00 8.16 C ATOM 1101 SD MET A 75 -8.271 -14.206 3.402 1.00 8.88 S ATOM 1102 CE MET A 75 -8.145 -14.948 1.777 1.00 9.35 C ATOM 0 H MET A 75 -10.226 -10.075 5.977 1.00 7.05 H new ATOM 0 HA MET A 75 -9.537 -9.919 3.113 1.00 7.23 H new ATOM 0 HB2 MET A 75 -8.234 -11.467 4.554 1.00 7.58 H new ATOM 0 HB3 MET A 75 -9.715 -12.278 5.023 1.00 7.58 H new ATOM 0 HG2 MET A 75 -10.104 -12.876 2.617 1.00 8.16 H new ATOM 0 HG3 MET A 75 -8.564 -12.144 2.215 1.00 8.16 H new ATOM 0 HE1 MET A 75 -7.265 -15.590 1.738 1.00 9.35 H new ATOM 0 HE2 MET A 75 -9.037 -15.542 1.578 1.00 9.35 H new ATOM 0 HE3 MET A 75 -8.056 -14.164 1.025 1.00 9.35 H new ATOM 1112 N PHE A 76 -11.794 -10.422 2.298 1.00 7.53 N ATOM 1113 CA PHE A 76 -13.117 -10.687 1.756 1.00 7.96 C ATOM 1114 C PHE A 76 -13.024 -10.830 0.244 1.00 8.18 C ATOM 1115 O PHE A 76 -11.926 -10.813 -0.314 1.00 8.37 O ATOM 1116 CB PHE A 76 -14.087 -9.558 2.130 1.00 7.98 C ATOM 1117 CG PHE A 76 -13.710 -8.216 1.565 1.00 8.18 C ATOM 1118 CD1 PHE A 76 -12.784 -7.412 2.208 1.00 8.46 C ATOM 1119 CD2 PHE A 76 -14.287 -7.759 0.391 1.00 8.59 C ATOM 1120 CE1 PHE A 76 -12.440 -6.181 1.689 1.00 9.07 C ATOM 1121 CE2 PHE A 76 -13.945 -6.531 -0.133 1.00 9.23 C ATOM 1122 CZ PHE A 76 -13.020 -5.738 0.517 1.00 9.66 C ATOM 0 H PHE A 76 -11.174 -9.922 1.661 1.00 7.53 H new ATOM 0 HA PHE A 76 -13.499 -11.615 2.181 1.00 7.96 H new ATOM 0 HB2 PHE A 76 -15.086 -9.820 1.781 1.00 7.98 H new ATOM 0 HB3 PHE A 76 -14.139 -9.482 3.216 1.00 7.98 H new ATOM 0 HD1 PHE A 76 -12.326 -7.752 3.125 1.00 8.46 H new ATOM 0 HD2 PHE A 76 -15.014 -8.373 -0.120 1.00 8.59 H new ATOM 0 HE1 PHE A 76 -11.716 -5.563 2.200 1.00 9.07 H new ATOM 0 HE2 PHE A 76 -14.400 -6.189 -1.051 1.00 9.23 H new ATOM 0 HZ PHE A 76 -12.751 -4.774 0.110 1.00 9.66 H new ATOM 1132 N ARG A 77 -14.161 -10.967 -0.419 1.00 8.33 N ATOM 1133 CA ARG A 77 -14.169 -11.097 -1.865 1.00 8.76 C ATOM 1134 C ARG A 77 -14.687 -9.828 -2.522 1.00 8.37 C ATOM 1135 O ARG A 77 -15.807 -9.386 -2.260 1.00 8.58 O ATOM 1136 CB ARG A 77 -14.993 -12.304 -2.303 1.00 9.53 C ATOM 1137 CG ARG A 77 -14.155 -13.558 -2.465 1.00 10.38 C ATOM 1138 CD ARG A 77 -14.999 -14.744 -2.890 1.00 11.13 C ATOM 1139 NE ARG A 77 -15.819 -15.251 -1.795 1.00 11.57 N ATOM 1140 CZ ARG A 77 -16.431 -16.430 -1.808 1.00 12.50 C ATOM 1141 NH1 ARG A 77 -16.308 -17.237 -2.857 1.00 13.10 N ATOM 1142 NH2 ARG A 77 -17.166 -16.803 -0.768 1.00 12.92 N ATOM 0 H ARG A 77 -15.083 -10.991 0.018 1.00 8.33 H new ATOM 0 HA ARG A 77 -13.140 -11.254 -2.190 1.00 8.76 H new ATOM 0 HB2 ARG A 77 -15.778 -12.489 -1.569 1.00 9.53 H new ATOM 0 HB3 ARG A 77 -15.487 -12.078 -3.248 1.00 9.53 H new ATOM 0 HG2 ARG A 77 -13.375 -13.382 -3.206 1.00 10.38 H new ATOM 0 HG3 ARG A 77 -13.655 -13.786 -1.524 1.00 10.38 H new ATOM 0 HD2 ARG A 77 -15.643 -14.452 -3.720 1.00 11.13 H new ATOM 0 HD3 ARG A 77 -14.349 -15.539 -3.255 1.00 11.13 H new ATOM 0 HE ARG A 77 -15.929 -14.664 -0.968 1.00 11.57 H new ATOM 0 HH11 ARG A 77 -15.742 -16.952 -3.656 1.00 13.10 H new ATOM 0 HH12 ARG A 77 -16.780 -18.141 -2.863 1.00 13.10 H new ATOM 0 HH21 ARG A 77 -17.260 -16.185 0.038 1.00 12.92 H new ATOM 0 HH22 ARG A 77 -17.637 -17.708 -0.775 1.00 12.92 H new ATOM 1156 N PHE A 78 -13.856 -9.251 -3.371 1.00 8.00 N ATOM 1157 CA PHE A 78 -14.195 -8.028 -4.080 1.00 7.81 C ATOM 1158 C PHE A 78 -14.542 -8.352 -5.527 1.00 7.97 C ATOM 1159 O PHE A 78 -14.008 -9.306 -6.097 1.00 8.21 O ATOM 1160 CB PHE A 78 -13.013 -7.054 -4.021 1.00 8.16 C ATOM 1161 CG PHE A 78 -13.390 -5.611 -4.222 1.00 8.43 C ATOM 1162 CD1 PHE A 78 -13.952 -4.876 -3.189 1.00 8.53 C ATOM 1163 CD2 PHE A 78 -13.172 -4.987 -5.440 1.00 8.83 C ATOM 1164 CE1 PHE A 78 -14.292 -3.548 -3.367 1.00 8.94 C ATOM 1165 CE2 PHE A 78 -13.509 -3.659 -5.624 1.00 9.26 C ATOM 1166 CZ PHE A 78 -14.070 -2.939 -4.587 1.00 9.28 C ATOM 0 H PHE A 78 -12.929 -9.615 -3.589 1.00 8.00 H new ATOM 0 HA PHE A 78 -15.060 -7.562 -3.608 1.00 7.81 H new ATOM 0 HB2 PHE A 78 -12.520 -7.157 -3.054 1.00 8.16 H new ATOM 0 HB3 PHE A 78 -12.286 -7.337 -4.782 1.00 8.16 H new ATOM 0 HD1 PHE A 78 -14.126 -5.347 -2.233 1.00 8.53 H new ATOM 0 HD2 PHE A 78 -12.734 -5.544 -6.255 1.00 8.83 H new ATOM 0 HE1 PHE A 78 -14.730 -2.988 -2.554 1.00 8.94 H new ATOM 0 HE2 PHE A 78 -13.334 -3.184 -6.578 1.00 9.26 H new ATOM 0 HZ PHE A 78 -14.335 -1.902 -4.730 1.00 9.28 H new ATOM 1176 N ARG A 79 -15.438 -7.572 -6.109 1.00 7.99 N ATOM 1177 CA ARG A 79 -15.850 -7.787 -7.488 1.00 8.38 C ATOM 1178 C ARG A 79 -14.933 -7.041 -8.447 1.00 8.66 C ATOM 1179 O ARG A 79 -14.758 -5.826 -8.339 1.00 8.73 O ATOM 1180 CB ARG A 79 -17.299 -7.335 -7.695 1.00 8.53 C ATOM 1181 CG ARG A 79 -17.809 -7.541 -9.113 1.00 9.41 C ATOM 1182 CD ARG A 79 -19.262 -7.120 -9.252 1.00 9.82 C ATOM 1183 NE ARG A 79 -19.449 -6.148 -10.328 1.00 10.05 N ATOM 1184 CZ ARG A 79 -20.140 -5.017 -10.192 1.00 10.46 C ATOM 1185 NH1 ARG A 79 -20.707 -4.712 -9.031 1.00 10.67 N ATOM 1186 NH2 ARG A 79 -20.271 -4.191 -11.223 1.00 10.87 N ATOM 0 H ARG A 79 -15.894 -6.784 -5.649 1.00 7.99 H new ATOM 0 HA ARG A 79 -15.781 -8.855 -7.697 1.00 8.38 H new ATOM 0 HB2 ARG A 79 -17.942 -7.881 -7.005 1.00 8.53 H new ATOM 0 HB3 ARG A 79 -17.380 -6.279 -7.439 1.00 8.53 H new ATOM 0 HG2 ARG A 79 -17.195 -6.967 -9.808 1.00 9.41 H new ATOM 0 HG3 ARG A 79 -17.706 -8.591 -9.388 1.00 9.41 H new ATOM 0 HD2 ARG A 79 -19.877 -7.999 -9.446 1.00 9.82 H new ATOM 0 HD3 ARG A 79 -19.607 -6.691 -8.311 1.00 9.82 H new ATOM 0 HE ARG A 79 -19.026 -6.347 -11.235 1.00 10.05 H new ATOM 0 HH11 ARG A 79 -20.615 -5.345 -8.237 1.00 10.67 H new ATOM 0 HH12 ARG A 79 -21.235 -3.845 -8.933 1.00 10.67 H new ATOM 0 HH21 ARG A 79 -19.843 -4.422 -12.119 1.00 10.87 H new ATOM 0 HH22 ARG A 79 -20.800 -3.325 -11.119 1.00 10.87 H new ATOM 1200 N SER A 80 -14.344 -7.775 -9.375 1.00 9.00 N ATOM 1201 CA SER A 80 -13.462 -7.185 -10.364 1.00 9.50 C ATOM 1202 C SER A 80 -14.278 -6.663 -11.542 1.00 9.93 C ATOM 1203 O SER A 80 -15.511 -6.728 -11.532 1.00 10.23 O ATOM 1204 CB SER A 80 -12.447 -8.221 -10.854 1.00 10.33 C ATOM 1205 OG SER A 80 -13.087 -9.237 -11.610 1.00 10.77 O ATOM 0 H SER A 80 -14.462 -8.784 -9.463 1.00 9.00 H new ATOM 0 HA SER A 80 -12.925 -6.355 -9.904 1.00 9.50 H new ATOM 0 HB2 SER A 80 -11.687 -7.732 -11.464 1.00 10.33 H new ATOM 0 HB3 SER A 80 -11.934 -8.665 -10.001 1.00 10.33 H new ATOM 0 HG SER A 80 -12.465 -9.585 -12.283 1.00 10.77 H new ATOM 1211 N LYS A 81 -13.592 -6.159 -12.560 1.00 10.16 N ATOM 1212 CA LYS A 81 -14.249 -5.647 -13.751 1.00 10.81 C ATOM 1213 C LYS A 81 -14.898 -6.797 -14.517 1.00 11.44 C ATOM 1214 O LYS A 81 -15.776 -6.593 -15.353 1.00 11.77 O ATOM 1215 CB LYS A 81 -13.234 -4.917 -14.635 1.00 11.28 C ATOM 1216 CG LYS A 81 -13.874 -4.069 -15.721 1.00 11.83 C ATOM 1217 CD LYS A 81 -14.807 -3.029 -15.129 1.00 11.83 C ATOM 1218 CE LYS A 81 -15.731 -2.444 -16.183 1.00 12.62 C ATOM 1219 NZ LYS A 81 -16.791 -1.598 -15.579 1.00 12.66 N ATOM 0 H LYS A 81 -12.574 -6.095 -12.582 1.00 10.16 H new ATOM 0 HA LYS A 81 -15.025 -4.940 -13.459 1.00 10.81 H new ATOM 0 HB2 LYS A 81 -12.610 -4.280 -14.008 1.00 11.28 H new ATOM 0 HB3 LYS A 81 -12.575 -5.651 -15.099 1.00 11.28 H new ATOM 0 HG2 LYS A 81 -13.097 -3.574 -16.304 1.00 11.83 H new ATOM 0 HG3 LYS A 81 -14.428 -4.710 -16.407 1.00 11.83 H new ATOM 0 HD2 LYS A 81 -15.400 -3.482 -14.335 1.00 11.83 H new ATOM 0 HD3 LYS A 81 -14.221 -2.230 -14.674 1.00 11.83 H new ATOM 0 HE2 LYS A 81 -15.149 -1.850 -16.887 1.00 12.62 H new ATOM 0 HE3 LYS A 81 -16.191 -3.252 -16.752 1.00 12.62 H new ATOM 0 HZ1 LYS A 81 -17.338 -1.136 -16.333 1.00 12.66 H new ATOM 0 HZ2 LYS A 81 -17.424 -2.191 -15.006 1.00 12.66 H new ATOM 0 HZ3 LYS A 81 -16.354 -0.873 -14.975 1.00 12.66 H new ATOM 1233 N ASN A 82 -14.467 -8.011 -14.201 1.00 11.74 N ATOM 1234 CA ASN A 82 -14.992 -9.213 -14.836 1.00 12.49 C ATOM 1235 C ASN A 82 -16.211 -9.718 -14.080 1.00 12.28 C ATOM 1236 O ASN A 82 -16.765 -10.767 -14.408 1.00 12.86 O ATOM 1237 CB ASN A 82 -13.925 -10.308 -14.858 1.00 13.32 C ATOM 1238 CG ASN A 82 -12.656 -9.879 -15.565 1.00 13.91 C ATOM 1239 OD1 ASN A 82 -12.699 -9.213 -16.601 1.00 14.05 O ATOM 1240 ND2 ASN A 82 -11.518 -10.257 -15.011 1.00 14.42 N ATOM 0 H ASN A 82 -13.747 -8.190 -13.501 1.00 11.74 H new ATOM 0 HA ASN A 82 -15.277 -8.964 -15.858 1.00 12.49 H new ATOM 0 HB2 ASN A 82 -13.685 -10.596 -13.834 1.00 13.32 H new ATOM 0 HB3 ASN A 82 -14.329 -11.192 -15.351 1.00 13.32 H new ATOM 0 HD21 ASN A 82 -10.630 -9.998 -15.442 1.00 14.42 H new ATOM 0 HD22 ASN A 82 -11.527 -10.808 -14.153 1.00 14.42 H new ATOM 1247 N GLN A 83 -16.603 -8.966 -13.051 1.00 11.60 N ATOM 1248 CA GLN A 83 -17.749 -9.303 -12.209 1.00 11.56 C ATOM 1249 C GLN A 83 -17.474 -10.565 -11.398 1.00 11.14 C ATOM 1250 O GLN A 83 -18.395 -11.205 -10.895 1.00 11.21 O ATOM 1251 CB GLN A 83 -19.023 -9.473 -13.044 1.00 12.34 C ATOM 1252 CG GLN A 83 -19.871 -8.213 -13.144 1.00 12.60 C ATOM 1253 CD GLN A 83 -19.127 -7.041 -13.754 1.00 12.46 C ATOM 1254 OE1 GLN A 83 -18.535 -6.224 -13.043 1.00 12.29 O ATOM 1255 NE2 GLN A 83 -19.151 -6.948 -15.070 1.00 12.69 N ATOM 0 H GLN A 83 -16.132 -8.103 -12.778 1.00 11.60 H new ATOM 0 HA GLN A 83 -17.905 -8.474 -11.519 1.00 11.56 H new ATOM 0 HB2 GLN A 83 -18.747 -9.793 -14.049 1.00 12.34 H new ATOM 0 HB3 GLN A 83 -19.626 -10.271 -12.610 1.00 12.34 H new ATOM 0 HG2 GLN A 83 -20.756 -8.425 -13.743 1.00 12.60 H new ATOM 0 HG3 GLN A 83 -20.219 -7.936 -12.149 1.00 12.60 H new ATOM 0 HE21 GLN A 83 -19.652 -7.645 -15.621 1.00 12.69 H new ATOM 0 HE22 GLN A 83 -18.668 -6.180 -15.536 1.00 12.69 H new ATOM 1264 N GLU A 84 -16.198 -10.905 -11.262 1.00 10.85 N ATOM 1265 CA GLU A 84 -15.804 -12.083 -10.508 1.00 10.56 C ATOM 1266 C GLU A 84 -15.470 -11.693 -9.074 1.00 10.07 C ATOM 1267 O GLU A 84 -15.103 -10.545 -8.805 1.00 10.08 O ATOM 1268 CB GLU A 84 -14.603 -12.773 -11.173 1.00 10.45 C ATOM 1269 CG GLU A 84 -13.261 -12.153 -10.813 1.00 10.43 C ATOM 1270 CD GLU A 84 -12.154 -12.559 -11.757 1.00 10.44 C ATOM 1271 OE1 GLU A 84 -11.642 -13.691 -11.629 1.00 10.71 O ATOM 1272 OE2 GLU A 84 -11.783 -11.743 -12.628 1.00 10.24 O ATOM 0 H GLU A 84 -15.421 -10.381 -11.664 1.00 10.85 H new ATOM 0 HA GLU A 84 -16.636 -12.787 -10.496 1.00 10.56 H new ATOM 0 HB2 GLU A 84 -14.595 -13.825 -10.886 1.00 10.45 H new ATOM 0 HB3 GLU A 84 -14.730 -12.739 -12.255 1.00 10.45 H new ATOM 0 HG2 GLU A 84 -13.355 -11.067 -10.817 1.00 10.43 H new ATOM 0 HG3 GLU A 84 -12.992 -12.446 -9.798 1.00 10.43 H new ATOM 1279 N TRP A 85 -15.606 -12.639 -8.160 1.00 9.78 N ATOM 1280 CA TRP A 85 -15.320 -12.385 -6.757 1.00 9.50 C ATOM 1281 C TRP A 85 -13.954 -12.942 -6.379 1.00 9.40 C ATOM 1282 O TRP A 85 -13.785 -14.158 -6.250 1.00 9.53 O ATOM 1283 CB TRP A 85 -16.406 -13.002 -5.871 1.00 9.93 C ATOM 1284 CG TRP A 85 -17.796 -12.680 -6.326 1.00 10.24 C ATOM 1285 CD1 TRP A 85 -18.643 -13.506 -7.005 1.00 10.93 C ATOM 1286 CD2 TRP A 85 -18.495 -11.445 -6.146 1.00 10.07 C ATOM 1287 NE1 TRP A 85 -19.829 -12.862 -7.251 1.00 11.20 N ATOM 1288 CE2 TRP A 85 -19.764 -11.595 -6.735 1.00 10.68 C ATOM 1289 CE3 TRP A 85 -18.175 -10.227 -5.539 1.00 9.65 C ATOM 1290 CZ2 TRP A 85 -20.710 -10.575 -6.737 1.00 10.85 C ATOM 1291 CZ3 TRP A 85 -19.117 -9.214 -5.545 1.00 9.84 C ATOM 1292 CH2 TRP A 85 -20.372 -9.395 -6.139 1.00 10.42 C ATOM 0 H TRP A 85 -15.913 -13.590 -8.364 1.00 9.78 H new ATOM 0 HA TRP A 85 -15.310 -11.307 -6.599 1.00 9.50 H new ATOM 0 HB2 TRP A 85 -16.279 -14.084 -5.853 1.00 9.93 H new ATOM 0 HB3 TRP A 85 -16.275 -12.649 -4.848 1.00 9.93 H new ATOM 0 HD1 TRP A 85 -18.414 -14.518 -7.305 1.00 10.93 H new ATOM 0 HE1 TRP A 85 -20.630 -13.262 -7.739 1.00 11.20 H new ATOM 0 HE3 TRP A 85 -17.211 -10.080 -5.074 1.00 9.65 H new ATOM 0 HZ2 TRP A 85 -21.678 -10.712 -7.196 1.00 10.85 H new ATOM 0 HZ3 TRP A 85 -18.880 -8.267 -5.083 1.00 9.84 H new ATOM 0 HH2 TRP A 85 -21.087 -8.585 -6.124 1.00 10.42 H new ATOM 1303 N LEU A 86 -12.985 -12.053 -6.210 1.00 9.37 N ATOM 1304 CA LEU A 86 -11.630 -12.456 -5.847 1.00 9.51 C ATOM 1305 C LEU A 86 -11.334 -12.080 -4.400 1.00 8.86 C ATOM 1306 O LEU A 86 -11.891 -11.116 -3.876 1.00 8.45 O ATOM 1307 CB LEU A 86 -10.602 -11.818 -6.792 1.00 10.04 C ATOM 1308 CG LEU A 86 -10.820 -10.336 -7.112 1.00 10.26 C ATOM 1309 CD1 LEU A 86 -10.081 -9.449 -6.120 1.00 10.30 C ATOM 1310 CD2 LEU A 86 -10.368 -10.038 -8.532 1.00 11.12 C ATOM 0 H LEU A 86 -13.110 -11.047 -6.318 1.00 9.37 H new ATOM 0 HA LEU A 86 -11.556 -13.539 -5.945 1.00 9.51 H new ATOM 0 HB2 LEU A 86 -9.611 -11.933 -6.352 1.00 10.04 H new ATOM 0 HB3 LEU A 86 -10.602 -12.376 -7.728 1.00 10.04 H new ATOM 0 HG LEU A 86 -11.885 -10.119 -7.027 1.00 10.26 H new ATOM 0 HD11 LEU A 86 -10.253 -8.402 -6.370 1.00 10.30 H new ATOM 0 HD12 LEU A 86 -10.447 -9.646 -5.113 1.00 10.30 H new ATOM 0 HD13 LEU A 86 -9.013 -9.663 -6.166 1.00 10.30 H new ATOM 0 HD21 LEU A 86 -10.527 -8.982 -8.750 1.00 11.12 H new ATOM 0 HD22 LEU A 86 -9.309 -10.274 -8.634 1.00 11.12 H new ATOM 0 HD23 LEU A 86 -10.944 -10.644 -9.232 1.00 11.12 H new ATOM 1322 N TRP A 87 -10.456 -12.838 -3.761 1.00 8.98 N ATOM 1323 CA TRP A 87 -10.105 -12.586 -2.370 1.00 8.61 C ATOM 1324 C TRP A 87 -9.125 -11.426 -2.264 1.00 8.55 C ATOM 1325 O TRP A 87 -8.026 -11.467 -2.825 1.00 9.23 O ATOM 1326 CB TRP A 87 -9.517 -13.842 -1.727 1.00 9.13 C ATOM 1327 CG TRP A 87 -10.503 -14.963 -1.624 1.00 9.35 C ATOM 1328 CD1 TRP A 87 -10.770 -15.905 -2.573 1.00 9.76 C ATOM 1329 CD2 TRP A 87 -11.360 -15.254 -0.514 1.00 9.44 C ATOM 1330 NE1 TRP A 87 -11.739 -16.766 -2.121 1.00 10.06 N ATOM 1331 CE2 TRP A 87 -12.118 -16.389 -0.859 1.00 9.89 C ATOM 1332 CE3 TRP A 87 -11.560 -14.667 0.738 1.00 9.42 C ATOM 1333 CZ2 TRP A 87 -13.059 -16.947 0.003 1.00 10.28 C ATOM 1334 CZ3 TRP A 87 -12.493 -15.223 1.592 1.00 9.85 C ATOM 1335 CH2 TRP A 87 -13.231 -16.353 1.220 1.00 10.26 C ATOM 0 H TRP A 87 -9.974 -13.632 -4.182 1.00 8.98 H new ATOM 0 HA TRP A 87 -11.015 -12.317 -1.833 1.00 8.61 H new ATOM 0 HB2 TRP A 87 -8.658 -14.174 -2.310 1.00 9.13 H new ATOM 0 HB3 TRP A 87 -9.150 -13.596 -0.731 1.00 9.13 H new ATOM 0 HD1 TRP A 87 -10.290 -15.965 -3.538 1.00 9.76 H new ATOM 0 HE1 TRP A 87 -12.116 -17.559 -2.641 1.00 10.06 H new ATOM 0 HE3 TRP A 87 -10.996 -13.795 1.033 1.00 9.42 H new ATOM 0 HZ2 TRP A 87 -13.632 -17.818 -0.281 1.00 10.28 H new ATOM 0 HZ3 TRP A 87 -12.656 -14.778 2.563 1.00 9.85 H new ATOM 0 HH2 TRP A 87 -13.952 -16.764 1.911 1.00 10.26 H new ATOM 1346 N MET A 88 -9.528 -10.399 -1.538 1.00 7.94 N ATOM 1347 CA MET A 88 -8.708 -9.216 -1.364 1.00 7.99 C ATOM 1348 C MET A 88 -8.449 -8.941 0.113 1.00 7.92 C ATOM 1349 O MET A 88 -9.329 -9.129 0.956 1.00 7.76 O ATOM 1350 CB MET A 88 -9.405 -8.008 -1.999 1.00 8.19 C ATOM 1351 CG MET A 88 -8.601 -6.719 -1.925 1.00 8.29 C ATOM 1352 SD MET A 88 -7.840 -6.291 -3.503 1.00 8.99 S ATOM 1353 CE MET A 88 -9.281 -5.835 -4.460 1.00 9.32 C ATOM 0 H MET A 88 -10.426 -10.362 -1.056 1.00 7.94 H new ATOM 0 HA MET A 88 -7.749 -9.388 -1.854 1.00 7.99 H new ATOM 0 HB2 MET A 88 -9.617 -8.232 -3.044 1.00 8.19 H new ATOM 0 HB3 MET A 88 -10.364 -7.854 -1.505 1.00 8.19 H new ATOM 0 HG2 MET A 88 -9.253 -5.905 -1.607 1.00 8.29 H new ATOM 0 HG3 MET A 88 -7.825 -6.821 -1.166 1.00 8.29 H new ATOM 0 HE1 MET A 88 -8.975 -5.223 -5.309 1.00 9.32 H new ATOM 0 HE2 MET A 88 -9.777 -6.735 -4.822 1.00 9.32 H new ATOM 0 HE3 MET A 88 -9.969 -5.268 -3.833 1.00 9.32 H new ATOM 1363 N ARG A 89 -7.228 -8.532 0.414 1.00 8.22 N ATOM 1364 CA ARG A 89 -6.837 -8.188 1.769 1.00 8.32 C ATOM 1365 C ARG A 89 -6.813 -6.672 1.890 1.00 8.38 C ATOM 1366 O ARG A 89 -5.824 -6.027 1.543 1.00 8.80 O ATOM 1367 CB ARG A 89 -5.460 -8.767 2.101 1.00 8.70 C ATOM 1368 CG ARG A 89 -4.991 -8.460 3.515 1.00 8.73 C ATOM 1369 CD ARG A 89 -3.483 -8.268 3.578 1.00 9.56 C ATOM 1370 NE ARG A 89 -3.045 -7.081 2.839 1.00 9.63 N ATOM 1371 CZ ARG A 89 -2.108 -6.235 3.271 1.00 10.18 C ATOM 1372 NH1 ARG A 89 -1.536 -6.411 4.455 1.00 10.66 N ATOM 1373 NH2 ARG A 89 -1.759 -5.194 2.530 1.00 10.44 N ATOM 0 H ARG A 89 -6.482 -8.429 -0.273 1.00 8.22 H new ATOM 0 HA ARG A 89 -7.553 -8.610 2.474 1.00 8.32 H new ATOM 0 HB2 ARG A 89 -5.488 -9.848 1.964 1.00 8.70 H new ATOM 0 HB3 ARG A 89 -4.730 -8.374 1.393 1.00 8.70 H new ATOM 0 HG2 ARG A 89 -5.488 -7.559 3.876 1.00 8.73 H new ATOM 0 HG3 ARG A 89 -5.283 -9.273 4.180 1.00 8.73 H new ATOM 0 HD2 ARG A 89 -3.173 -8.181 4.619 1.00 9.56 H new ATOM 0 HD3 ARG A 89 -2.989 -9.150 3.171 1.00 9.56 H new ATOM 0 HE ARG A 89 -3.484 -6.890 1.938 1.00 9.63 H new ATOM 0 HH11 ARG A 89 -1.812 -7.198 5.043 1.00 10.66 H new ATOM 0 HH12 ARG A 89 -0.820 -5.760 4.778 1.00 10.66 H new ATOM 0 HH21 ARG A 89 -2.207 -5.038 1.627 1.00 10.44 H new ATOM 0 HH22 ARG A 89 -1.042 -4.549 2.862 1.00 10.44 H new ATOM 1387 N THR A 90 -7.914 -6.114 2.352 1.00 8.13 N ATOM 1388 CA THR A 90 -8.042 -4.676 2.491 1.00 8.31 C ATOM 1389 C THR A 90 -7.512 -4.181 3.833 1.00 7.80 C ATOM 1390 O THR A 90 -8.141 -4.374 4.874 1.00 7.13 O ATOM 1391 CB THR A 90 -9.511 -4.252 2.318 1.00 8.83 C ATOM 1392 OG1 THR A 90 -9.922 -4.502 0.971 1.00 9.37 O ATOM 1393 CG2 THR A 90 -9.713 -2.781 2.643 1.00 9.12 C ATOM 0 H THR A 90 -8.740 -6.639 2.640 1.00 8.13 H new ATOM 0 HA THR A 90 -7.437 -4.219 1.708 1.00 8.31 H new ATOM 0 HB THR A 90 -10.114 -4.836 3.013 1.00 8.83 H new ATOM 0 HG1 THR A 90 -9.746 -3.709 0.423 1.00 9.37 H new ATOM 0 HG21 THR A 90 -10.763 -2.520 2.509 1.00 9.12 H new ATOM 0 HG22 THR A 90 -9.421 -2.593 3.676 1.00 9.12 H new ATOM 0 HG23 THR A 90 -9.100 -2.174 1.977 1.00 9.12 H new ATOM 1401 N SER A 91 -6.343 -3.563 3.802 1.00 8.27 N ATOM 1402 CA SER A 91 -5.741 -3.011 5.003 1.00 8.04 C ATOM 1403 C SER A 91 -6.227 -1.586 5.209 1.00 8.00 C ATOM 1404 O SER A 91 -5.653 -0.636 4.668 1.00 8.20 O ATOM 1405 CB SER A 91 -4.217 -3.045 4.900 1.00 7.83 C ATOM 1406 OG SER A 91 -3.750 -4.374 4.800 1.00 8.08 O ATOM 0 H SER A 91 -5.791 -3.431 2.955 1.00 8.27 H new ATOM 0 HA SER A 91 -6.038 -3.616 5.860 1.00 8.04 H new ATOM 0 HB2 SER A 91 -3.894 -2.475 4.029 1.00 7.83 H new ATOM 0 HB3 SER A 91 -3.778 -2.566 5.775 1.00 7.83 H new ATOM 0 HG SER A 91 -3.893 -4.836 5.652 1.00 8.08 H new ATOM 1412 N SER A 92 -7.296 -1.448 5.970 1.00 7.99 N ATOM 1413 CA SER A 92 -7.885 -0.151 6.237 1.00 8.16 C ATOM 1414 C SER A 92 -7.130 0.575 7.343 1.00 8.34 C ATOM 1415 O SER A 92 -6.946 0.044 8.437 1.00 8.27 O ATOM 1416 CB SER A 92 -9.355 -0.320 6.624 1.00 8.49 C ATOM 1417 OG SER A 92 -10.036 -1.130 5.677 1.00 8.65 O ATOM 0 H SER A 92 -7.778 -2.227 6.418 1.00 7.99 H new ATOM 0 HA SER A 92 -7.818 0.452 5.331 1.00 8.16 H new ATOM 0 HB2 SER A 92 -9.426 -0.772 7.613 1.00 8.49 H new ATOM 0 HB3 SER A 92 -9.834 0.657 6.685 1.00 8.49 H new ATOM 0 HG SER A 92 -10.272 -0.590 4.894 1.00 8.65 H new ATOM 1423 N PHE A 93 -6.669 1.771 7.034 1.00 8.79 N ATOM 1424 CA PHE A 93 -5.952 2.594 7.989 1.00 9.24 C ATOM 1425 C PHE A 93 -6.681 3.921 8.165 1.00 9.05 C ATOM 1426 O PHE A 93 -6.878 4.662 7.198 1.00 8.84 O ATOM 1427 CB PHE A 93 -4.512 2.826 7.516 1.00 9.87 C ATOM 1428 CG PHE A 93 -3.727 3.776 8.376 1.00 10.37 C ATOM 1429 CD1 PHE A 93 -3.619 3.572 9.743 1.00 10.90 C ATOM 1430 CD2 PHE A 93 -3.098 4.873 7.814 1.00 10.50 C ATOM 1431 CE1 PHE A 93 -2.897 4.446 10.530 1.00 11.50 C ATOM 1432 CE2 PHE A 93 -2.373 5.750 8.597 1.00 11.09 C ATOM 1433 CZ PHE A 93 -2.273 5.537 9.957 1.00 11.56 C ATOM 0 H PHE A 93 -6.780 2.200 6.115 1.00 8.79 H new ATOM 0 HA PHE A 93 -5.914 2.081 8.950 1.00 9.24 H new ATOM 0 HB2 PHE A 93 -3.993 1.868 7.485 1.00 9.87 H new ATOM 0 HB3 PHE A 93 -4.534 3.210 6.496 1.00 9.87 H new ATOM 0 HD1 PHE A 93 -4.105 2.721 10.197 1.00 10.90 H new ATOM 0 HD2 PHE A 93 -3.175 5.045 6.751 1.00 10.50 H new ATOM 0 HE1 PHE A 93 -2.820 4.277 11.594 1.00 11.50 H new ATOM 0 HE2 PHE A 93 -1.885 6.601 8.146 1.00 11.09 H new ATOM 0 HZ PHE A 93 -1.708 6.222 10.572 1.00 11.56 H new ATOM 1443 N THR A 94 -7.102 4.205 9.388 1.00 9.35 N ATOM 1444 CA THR A 94 -7.816 5.434 9.678 1.00 9.46 C ATOM 1445 C THR A 94 -6.881 6.641 9.628 1.00 9.94 C ATOM 1446 O THR A 94 -5.950 6.755 10.431 1.00 10.16 O ATOM 1447 CB THR A 94 -8.496 5.361 11.056 1.00 9.25 C ATOM 1448 OG1 THR A 94 -7.959 4.259 11.811 1.00 9.37 O ATOM 1449 CG2 THR A 94 -10.000 5.186 10.901 1.00 9.37 C ATOM 0 H THR A 94 -6.960 3.598 10.196 1.00 9.35 H new ATOM 0 HA THR A 94 -8.581 5.555 8.912 1.00 9.46 H new ATOM 0 HB THR A 94 -8.302 6.294 11.586 1.00 9.25 H new ATOM 0 HG1 THR A 94 -8.670 3.856 12.352 1.00 9.37 H new ATOM 0 HG21 THR A 94 -10.464 5.136 11.886 1.00 9.37 H new ATOM 0 HG22 THR A 94 -10.410 6.032 10.349 1.00 9.37 H new ATOM 0 HG23 THR A 94 -10.205 4.264 10.357 1.00 9.37 H new ATOM 1457 N PHE A 95 -7.123 7.531 8.675 1.00 10.31 N ATOM 1458 CA PHE A 95 -6.308 8.722 8.523 1.00 10.96 C ATOM 1459 C PHE A 95 -6.919 9.872 9.305 1.00 11.35 C ATOM 1460 O PHE A 95 -7.977 10.395 8.943 1.00 11.51 O ATOM 1461 CB PHE A 95 -6.171 9.091 7.047 1.00 11.11 C ATOM 1462 CG PHE A 95 -4.813 9.619 6.689 1.00 11.84 C ATOM 1463 CD1 PHE A 95 -3.717 8.774 6.655 1.00 12.08 C ATOM 1464 CD2 PHE A 95 -4.633 10.958 6.389 1.00 11.76 C ATOM 1465 CE1 PHE A 95 -2.465 9.254 6.327 1.00 12.25 C ATOM 1466 CE2 PHE A 95 -3.383 11.445 6.059 1.00 11.93 C ATOM 1467 CZ PHE A 95 -2.297 10.592 6.029 1.00 12.11 C ATOM 0 H PHE A 95 -7.879 7.448 7.996 1.00 10.31 H new ATOM 0 HA PHE A 95 -5.312 8.519 8.918 1.00 10.96 H new ATOM 0 HB2 PHE A 95 -6.383 8.211 6.439 1.00 11.11 H new ATOM 0 HB3 PHE A 95 -6.922 9.840 6.796 1.00 11.11 H new ATOM 0 HD1 PHE A 95 -3.843 7.727 6.888 1.00 12.08 H new ATOM 0 HD2 PHE A 95 -5.479 11.629 6.413 1.00 11.76 H new ATOM 0 HE1 PHE A 95 -1.618 8.584 6.303 1.00 12.25 H new ATOM 0 HE2 PHE A 95 -3.255 12.491 5.825 1.00 11.93 H new ATOM 0 HZ PHE A 95 -1.318 10.971 5.773 1.00 12.11 H new ATOM 1477 N GLN A 96 -6.257 10.250 10.384 1.00 11.67 N ATOM 1478 CA GLN A 96 -6.735 11.326 11.234 1.00 12.26 C ATOM 1479 C GLN A 96 -5.928 12.597 11.023 1.00 12.40 C ATOM 1480 O GLN A 96 -4.756 12.547 10.641 1.00 12.58 O ATOM 1481 CB GLN A 96 -6.671 10.901 12.700 1.00 12.87 C ATOM 1482 CG GLN A 96 -7.641 9.788 13.042 1.00 13.00 C ATOM 1483 CD GLN A 96 -7.267 9.057 14.310 1.00 13.42 C ATOM 1484 OE1 GLN A 96 -6.538 8.068 14.277 1.00 13.10 O ATOM 1485 NE2 GLN A 96 -7.762 9.536 15.437 1.00 14.24 N ATOM 0 H GLN A 96 -5.383 9.825 10.693 1.00 11.67 H new ATOM 0 HA GLN A 96 -7.770 11.536 10.964 1.00 12.26 H new ATOM 0 HB2 GLN A 96 -5.657 10.575 12.933 1.00 12.87 H new ATOM 0 HB3 GLN A 96 -6.881 11.764 13.331 1.00 12.87 H new ATOM 0 HG2 GLN A 96 -8.642 10.205 13.150 1.00 13.00 H new ATOM 0 HG3 GLN A 96 -7.679 9.078 12.216 1.00 13.00 H new ATOM 0 HE21 GLN A 96 -8.363 10.360 15.420 1.00 14.24 H new ATOM 0 HE22 GLN A 96 -7.543 9.082 16.324 1.00 14.24 H new ATOM 1494 N ASN A 97 -6.569 13.729 11.262 1.00 12.50 N ATOM 1495 CA ASN A 97 -5.931 15.025 11.117 1.00 12.84 C ATOM 1496 C ASN A 97 -5.326 15.445 12.453 1.00 13.26 C ATOM 1497 O ASN A 97 -5.945 15.261 13.502 1.00 13.46 O ATOM 1498 CB ASN A 97 -6.953 16.064 10.639 1.00 12.77 C ATOM 1499 CG ASN A 97 -6.305 17.249 9.949 1.00 13.20 C ATOM 1500 OD1 ASN A 97 -6.027 18.274 10.568 1.00 13.83 O ATOM 1501 ND2 ASN A 97 -6.056 17.113 8.656 1.00 13.02 N ATOM 0 H ASN A 97 -7.543 13.775 11.561 1.00 12.50 H new ATOM 0 HA ASN A 97 -5.137 14.958 10.373 1.00 12.84 H new ATOM 0 HB2 ASN A 97 -7.654 15.589 9.953 1.00 12.77 H new ATOM 0 HB3 ASN A 97 -7.532 16.418 11.492 1.00 12.77 H new ATOM 0 HD21 ASN A 97 -5.618 17.875 8.138 1.00 13.02 H new ATOM 0 HD22 ASN A 97 -6.302 16.246 8.178 1.00 13.02 H new ATOM 1508 N PRO A 98 -4.107 16.009 12.442 1.00 13.57 N ATOM 1509 CA PRO A 98 -3.421 16.441 13.668 1.00 14.16 C ATOM 1510 C PRO A 98 -4.010 17.715 14.279 1.00 14.64 C ATOM 1511 O PRO A 98 -3.282 18.549 14.817 1.00 15.34 O ATOM 1512 CB PRO A 98 -1.991 16.696 13.190 1.00 14.43 C ATOM 1513 CG PRO A 98 -2.134 17.062 11.754 1.00 14.13 C ATOM 1514 CD PRO A 98 -3.292 16.255 11.237 1.00 13.56 C ATOM 0 HA PRO A 98 -3.509 15.696 14.458 1.00 14.16 H new ATOM 0 HB2 PRO A 98 -1.520 17.498 13.758 1.00 14.43 H new ATOM 0 HB3 PRO A 98 -1.368 15.810 13.313 1.00 14.43 H new ATOM 0 HG2 PRO A 98 -2.320 18.130 11.640 1.00 14.13 H new ATOM 0 HG3 PRO A 98 -1.222 16.836 11.201 1.00 14.13 H new ATOM 0 HD2 PRO A 98 -3.853 16.799 10.477 1.00 13.56 H new ATOM 0 HD3 PRO A 98 -2.959 15.323 10.780 1.00 13.56 H new ATOM 1522 N TYR A 99 -5.323 17.859 14.203 1.00 14.40 N ATOM 1523 CA TYR A 99 -5.991 19.028 14.753 1.00 14.96 C ATOM 1524 C TYR A 99 -6.798 18.651 15.985 1.00 14.99 C ATOM 1525 O TYR A 99 -6.448 19.021 17.104 1.00 15.65 O ATOM 1526 CB TYR A 99 -6.897 19.670 13.702 1.00 15.01 C ATOM 1527 CG TYR A 99 -6.213 20.741 12.881 1.00 14.39 C ATOM 1528 CD1 TYR A 99 -4.884 20.610 12.497 1.00 14.52 C ATOM 1529 CD2 TYR A 99 -6.898 21.883 12.494 1.00 14.95 C ATOM 1530 CE1 TYR A 99 -4.259 21.587 11.749 1.00 15.18 C ATOM 1531 CE2 TYR A 99 -6.280 22.864 11.746 1.00 15.60 C ATOM 1532 CZ TYR A 99 -4.962 22.712 11.375 1.00 16.89 C ATOM 1533 OH TYR A 99 -4.343 23.690 10.631 1.00 16.50 O ATOM 0 H TYR A 99 -5.948 17.181 13.766 1.00 14.40 H new ATOM 0 HA TYR A 99 -5.230 19.752 15.045 1.00 14.96 H new ATOM 0 HB2 TYR A 99 -7.269 18.894 13.033 1.00 15.01 H new ATOM 0 HB3 TYR A 99 -7.764 20.104 14.199 1.00 15.01 H new ATOM 0 HD1 TYR A 99 -4.331 19.729 12.789 1.00 14.52 H new ATOM 0 HD2 TYR A 99 -7.931 22.006 12.783 1.00 14.95 H new ATOM 0 HE1 TYR A 99 -3.225 21.471 11.458 1.00 15.18 H new ATOM 0 HE2 TYR A 99 -6.827 23.748 11.453 1.00 15.60 H new ATOM 0 HH TYR A 99 -4.978 24.415 10.451 1.00 16.50 H new ATOM 1543 N SER A 100 -7.862 17.892 15.780 1.00 14.39 N ATOM 1544 CA SER A 100 -8.718 17.474 16.877 1.00 14.53 C ATOM 1545 C SER A 100 -8.852 15.957 16.911 1.00 14.18 C ATOM 1546 O SER A 100 -9.814 15.427 17.476 1.00 14.16 O ATOM 1547 CB SER A 100 -10.096 18.121 16.743 1.00 14.72 C ATOM 1548 OG SER A 100 -10.070 19.187 15.804 1.00 14.89 O ATOM 0 H SER A 100 -8.153 17.553 14.863 1.00 14.39 H new ATOM 0 HA SER A 100 -8.262 17.799 17.812 1.00 14.53 H new ATOM 0 HB2 SER A 100 -10.824 17.373 16.429 1.00 14.72 H new ATOM 0 HB3 SER A 100 -10.422 18.495 17.714 1.00 14.72 H new ATOM 0 HG SER A 100 -10.453 18.884 14.954 1.00 14.89 H new ATOM 1554 N ASP A 101 -7.895 15.271 16.281 1.00 14.07 N ATOM 1555 CA ASP A 101 -7.877 13.804 16.241 1.00 13.92 C ATOM 1556 C ASP A 101 -9.049 13.277 15.401 1.00 13.12 C ATOM 1557 O ASP A 101 -9.477 12.132 15.540 1.00 13.21 O ATOM 1558 CB ASP A 101 -7.922 13.242 17.677 1.00 14.53 C ATOM 1559 CG ASP A 101 -7.696 11.746 17.759 1.00 14.57 C ATOM 1560 OD1 ASP A 101 -6.535 11.303 17.636 1.00 14.77 O ATOM 1561 OD2 ASP A 101 -8.674 11.007 17.983 1.00 14.75 O ATOM 0 H ASP A 101 -7.117 15.710 15.788 1.00 14.07 H new ATOM 0 HA ASP A 101 -6.953 13.469 15.769 1.00 13.92 H new ATOM 0 HB2 ASP A 101 -7.166 13.747 18.278 1.00 14.53 H new ATOM 0 HB3 ASP A 101 -8.890 13.478 18.119 1.00 14.53 H new ATOM 1566 N GLU A 102 -9.545 14.117 14.500 1.00 12.49 N ATOM 1567 CA GLU A 102 -10.673 13.754 13.652 1.00 11.85 C ATOM 1568 C GLU A 102 -10.216 12.947 12.441 1.00 11.00 C ATOM 1569 O GLU A 102 -9.149 13.194 11.882 1.00 10.88 O ATOM 1570 CB GLU A 102 -11.436 15.006 13.190 1.00 11.92 C ATOM 1571 CG GLU A 102 -10.610 15.978 12.354 1.00 12.55 C ATOM 1572 CD GLU A 102 -9.841 16.971 13.199 1.00 12.62 C ATOM 1573 OE1 GLU A 102 -8.718 16.649 13.627 1.00 12.82 O ATOM 1574 OE2 GLU A 102 -10.365 18.080 13.450 1.00 12.95 O ATOM 0 H GLU A 102 -9.182 15.056 14.338 1.00 12.49 H new ATOM 0 HA GLU A 102 -11.343 13.134 14.247 1.00 11.85 H new ATOM 0 HB2 GLU A 102 -12.304 14.693 12.609 1.00 11.92 H new ATOM 0 HB3 GLU A 102 -11.813 15.531 14.068 1.00 11.92 H new ATOM 0 HG2 GLU A 102 -9.910 15.415 11.736 1.00 12.55 H new ATOM 0 HG3 GLU A 102 -11.270 16.519 11.676 1.00 12.55 H new ATOM 1581 N ILE A 103 -11.025 11.972 12.048 1.00 10.60 N ATOM 1582 CA ILE A 103 -10.713 11.135 10.899 1.00 9.97 C ATOM 1583 C ILE A 103 -11.231 11.782 9.617 1.00 9.53 C ATOM 1584 O ILE A 103 -12.443 11.917 9.427 1.00 9.56 O ATOM 1585 CB ILE A 103 -11.325 9.722 11.047 1.00 10.32 C ATOM 1586 CG1 ILE A 103 -10.948 9.118 12.403 1.00 10.72 C ATOM 1587 CG2 ILE A 103 -10.860 8.816 9.913 1.00 10.45 C ATOM 1588 CD1 ILE A 103 -11.735 7.873 12.756 1.00 11.11 C ATOM 0 H ILE A 103 -11.905 11.741 12.510 1.00 10.60 H new ATOM 0 HA ILE A 103 -9.629 11.037 10.847 1.00 9.97 H new ATOM 0 HB ILE A 103 -12.410 9.808 10.995 1.00 10.32 H new ATOM 0 HG12 ILE A 103 -9.885 8.876 12.400 1.00 10.72 H new ATOM 0 HG13 ILE A 103 -11.102 9.867 13.180 1.00 10.72 H new ATOM 0 HG21 ILE A 103 -11.301 7.826 10.034 1.00 10.45 H new ATOM 0 HG22 ILE A 103 -11.173 9.238 8.958 1.00 10.45 H new ATOM 0 HG23 ILE A 103 -9.773 8.734 9.935 1.00 10.45 H new ATOM 0 HD11 ILE A 103 -11.413 7.503 13.729 1.00 11.11 H new ATOM 0 HD12 ILE A 103 -12.798 8.112 12.792 1.00 11.11 H new ATOM 0 HD13 ILE A 103 -11.561 7.107 12.001 1.00 11.11 H new ATOM 1600 N GLU A 104 -10.317 12.191 8.742 1.00 9.35 N ATOM 1601 CA GLU A 104 -10.706 12.821 7.488 1.00 9.23 C ATOM 1602 C GLU A 104 -11.180 11.769 6.488 1.00 8.49 C ATOM 1603 O GLU A 104 -12.183 11.968 5.801 1.00 7.95 O ATOM 1604 CB GLU A 104 -9.563 13.666 6.902 1.00 9.71 C ATOM 1605 CG GLU A 104 -8.184 13.030 7.010 1.00 10.37 C ATOM 1606 CD GLU A 104 -7.073 13.989 6.631 1.00 11.10 C ATOM 1607 OE1 GLU A 104 -6.735 14.084 5.431 1.00 11.22 O ATOM 1608 OE2 GLU A 104 -6.533 14.666 7.525 1.00 11.65 O ATOM 0 H GLU A 104 -9.310 12.098 8.878 1.00 9.35 H new ATOM 0 HA GLU A 104 -11.535 13.498 7.695 1.00 9.23 H new ATOM 0 HB2 GLU A 104 -9.776 13.863 5.851 1.00 9.71 H new ATOM 0 HB3 GLU A 104 -9.545 14.630 7.410 1.00 9.71 H new ATOM 0 HG2 GLU A 104 -8.027 12.682 8.031 1.00 10.37 H new ATOM 0 HG3 GLU A 104 -8.140 12.153 6.364 1.00 10.37 H new ATOM 1615 N TYR A 105 -10.476 10.644 6.426 1.00 8.69 N ATOM 1616 CA TYR A 105 -10.845 9.555 5.527 1.00 8.30 C ATOM 1617 C TYR A 105 -10.137 8.269 5.934 1.00 8.30 C ATOM 1618 O TYR A 105 -9.312 8.268 6.847 1.00 8.50 O ATOM 1619 CB TYR A 105 -10.549 9.905 4.055 1.00 8.40 C ATOM 1620 CG TYR A 105 -9.118 10.303 3.758 1.00 8.90 C ATOM 1621 CD1 TYR A 105 -8.121 9.344 3.617 1.00 9.14 C ATOM 1622 CD2 TYR A 105 -8.767 11.639 3.598 1.00 9.14 C ATOM 1623 CE1 TYR A 105 -6.820 9.706 3.327 1.00 9.56 C ATOM 1624 CE2 TYR A 105 -7.467 12.005 3.312 1.00 9.54 C ATOM 1625 CZ TYR A 105 -6.498 11.035 3.177 1.00 9.84 C ATOM 1626 OH TYR A 105 -5.202 11.396 2.888 1.00 10.30 O ATOM 0 H TYR A 105 -9.645 10.462 6.989 1.00 8.69 H new ATOM 0 HA TYR A 105 -11.921 9.402 5.612 1.00 8.30 H new ATOM 0 HB2 TYR A 105 -10.805 9.045 3.436 1.00 8.40 H new ATOM 0 HB3 TYR A 105 -11.205 10.721 3.754 1.00 8.40 H new ATOM 0 HD1 TYR A 105 -8.368 8.299 3.736 1.00 9.14 H new ATOM 0 HD2 TYR A 105 -9.524 12.403 3.699 1.00 9.14 H new ATOM 0 HE1 TYR A 105 -6.058 8.948 3.218 1.00 9.56 H new ATOM 0 HE2 TYR A 105 -7.211 13.048 3.195 1.00 9.54 H new ATOM 0 HH TYR A 105 -4.677 11.421 3.715 1.00 10.30 H new ATOM 1636 N ILE A 106 -10.464 7.181 5.257 1.00 8.31 N ATOM 1637 CA ILE A 106 -9.871 5.889 5.556 1.00 8.58 C ATOM 1638 C ILE A 106 -9.100 5.365 4.350 1.00 7.97 C ATOM 1639 O ILE A 106 -9.662 5.206 3.261 1.00 7.37 O ATOM 1640 CB ILE A 106 -10.946 4.855 5.961 1.00 9.05 C ATOM 1641 CG1 ILE A 106 -11.787 5.385 7.128 1.00 9.92 C ATOM 1642 CG2 ILE A 106 -10.300 3.526 6.333 1.00 9.27 C ATOM 1643 CD1 ILE A 106 -13.040 4.576 7.396 1.00 10.29 C ATOM 0 H ILE A 106 -11.140 7.167 4.493 1.00 8.31 H new ATOM 0 HA ILE A 106 -9.189 6.030 6.394 1.00 8.58 H new ATOM 0 HB ILE A 106 -11.602 4.691 5.106 1.00 9.05 H new ATOM 0 HG12 ILE A 106 -11.174 5.397 8.029 1.00 9.92 H new ATOM 0 HG13 ILE A 106 -12.070 6.417 6.921 1.00 9.92 H new ATOM 0 HG21 ILE A 106 -11.074 2.812 6.615 1.00 9.27 H new ATOM 0 HG22 ILE A 106 -9.744 3.140 5.479 1.00 9.27 H new ATOM 0 HG23 ILE A 106 -9.620 3.674 7.172 1.00 9.27 H new ATOM 0 HD11 ILE A 106 -13.582 5.012 8.235 1.00 10.29 H new ATOM 0 HD12 ILE A 106 -13.675 4.584 6.510 1.00 10.29 H new ATOM 0 HD13 ILE A 106 -12.765 3.549 7.636 1.00 10.29 H new ATOM 1655 N ILE A 107 -7.815 5.109 4.545 1.00 8.33 N ATOM 1656 CA ILE A 107 -6.966 4.593 3.486 1.00 8.06 C ATOM 1657 C ILE A 107 -6.987 3.071 3.507 1.00 8.29 C ATOM 1658 O ILE A 107 -6.431 2.444 4.405 1.00 8.62 O ATOM 1659 CB ILE A 107 -5.511 5.100 3.623 1.00 8.25 C ATOM 1660 CG1 ILE A 107 -5.437 6.592 3.281 1.00 8.19 C ATOM 1661 CG2 ILE A 107 -4.569 4.299 2.730 1.00 8.99 C ATOM 1662 CD1 ILE A 107 -4.041 7.177 3.364 1.00 8.61 C ATOM 0 H ILE A 107 -7.336 5.252 5.434 1.00 8.33 H new ATOM 0 HA ILE A 107 -7.357 4.955 2.535 1.00 8.06 H new ATOM 0 HB ILE A 107 -5.194 4.961 4.657 1.00 8.25 H new ATOM 0 HG12 ILE A 107 -5.823 6.742 2.273 1.00 8.19 H new ATOM 0 HG13 ILE A 107 -6.091 7.142 3.958 1.00 8.19 H new ATOM 0 HG21 ILE A 107 -3.552 4.675 2.844 1.00 8.99 H new ATOM 0 HG22 ILE A 107 -4.602 3.248 3.017 1.00 8.99 H new ATOM 0 HG23 ILE A 107 -4.879 4.401 1.690 1.00 8.99 H new ATOM 0 HD11 ILE A 107 -4.074 8.236 3.108 1.00 8.61 H new ATOM 0 HD12 ILE A 107 -3.658 7.061 4.378 1.00 8.61 H new ATOM 0 HD13 ILE A 107 -3.386 6.655 2.666 1.00 8.61 H new ATOM 1674 N CYS A 108 -7.648 2.481 2.532 1.00 8.31 N ATOM 1675 CA CYS A 108 -7.739 1.038 2.454 1.00 8.72 C ATOM 1676 C CYS A 108 -6.725 0.480 1.467 1.00 8.90 C ATOM 1677 O CYS A 108 -6.801 0.731 0.266 1.00 8.95 O ATOM 1678 CB CYS A 108 -9.152 0.616 2.056 1.00 8.88 C ATOM 1679 SG CYS A 108 -10.383 0.867 3.357 1.00 9.83 S ATOM 0 H CYS A 108 -8.130 2.978 1.783 1.00 8.31 H new ATOM 0 HA CYS A 108 -7.514 0.631 3.440 1.00 8.72 H new ATOM 0 HB2 CYS A 108 -9.453 1.177 1.171 1.00 8.88 H new ATOM 0 HB3 CYS A 108 -9.141 -0.438 1.777 1.00 8.88 H new ATOM 0 HG CYS A 108 -11.258 1.745 2.963 1.00 9.83 H new ATOM 1685 N THR A 109 -5.755 -0.245 1.988 1.00 9.18 N ATOM 1686 CA THR A 109 -4.737 -0.864 1.163 1.00 9.57 C ATOM 1687 C THR A 109 -5.280 -2.180 0.619 1.00 9.52 C ATOM 1688 O THR A 109 -5.176 -3.222 1.268 1.00 9.93 O ATOM 1689 CB THR A 109 -3.445 -1.107 1.969 1.00 10.24 C ATOM 1690 OG1 THR A 109 -3.126 0.068 2.732 1.00 10.47 O ATOM 1691 CG2 THR A 109 -2.282 -1.453 1.051 1.00 10.84 C ATOM 0 H THR A 109 -5.650 -0.421 2.987 1.00 9.18 H new ATOM 0 HA THR A 109 -4.489 -0.197 0.337 1.00 9.57 H new ATOM 0 HB THR A 109 -3.612 -1.950 2.640 1.00 10.24 H new ATOM 0 HG1 THR A 109 -2.306 -0.088 3.245 1.00 10.47 H new ATOM 0 HG21 THR A 109 -1.385 -1.619 1.647 1.00 10.84 H new ATOM 0 HG22 THR A 109 -2.518 -2.358 0.490 1.00 10.84 H new ATOM 0 HG23 THR A 109 -2.109 -0.631 0.357 1.00 10.84 H new ATOM 1699 N ASN A 110 -5.897 -2.110 -0.551 1.00 9.26 N ATOM 1700 CA ASN A 110 -6.497 -3.279 -1.182 1.00 9.45 C ATOM 1701 C ASN A 110 -5.452 -4.144 -1.871 1.00 9.54 C ATOM 1702 O ASN A 110 -5.085 -3.890 -3.015 1.00 9.73 O ATOM 1703 CB ASN A 110 -7.555 -2.843 -2.204 1.00 10.33 C ATOM 1704 CG ASN A 110 -8.923 -2.617 -1.587 1.00 10.50 C ATOM 1705 OD1 ASN A 110 -9.042 -2.306 -0.404 1.00 10.11 O ATOM 1706 ND2 ASN A 110 -9.967 -2.772 -2.387 1.00 11.26 N ATOM 0 H ASN A 110 -5.996 -1.248 -1.088 1.00 9.26 H new ATOM 0 HA ASN A 110 -6.965 -3.872 -0.396 1.00 9.45 H new ATOM 0 HB2 ASN A 110 -7.226 -1.924 -2.689 1.00 10.33 H new ATOM 0 HB3 ASN A 110 -7.635 -3.603 -2.981 1.00 10.33 H new ATOM 0 HD21 ASN A 110 -10.911 -2.633 -2.026 1.00 11.26 H new ATOM 0 HD22 ASN A 110 -9.827 -3.031 -3.364 1.00 11.26 H new ATOM 1713 N THR A 111 -4.969 -5.154 -1.165 1.00 9.61 N ATOM 1714 CA THR A 111 -3.984 -6.071 -1.716 1.00 9.91 C ATOM 1715 C THR A 111 -4.655 -7.394 -2.082 1.00 10.65 C ATOM 1716 O THR A 111 -5.139 -8.110 -1.205 1.00 11.22 O ATOM 1717 CB THR A 111 -2.847 -6.337 -0.708 1.00 9.68 C ATOM 1718 OG1 THR A 111 -2.424 -5.103 -0.104 1.00 9.38 O ATOM 1719 CG2 THR A 111 -1.661 -7.011 -1.387 1.00 9.85 C ATOM 0 H THR A 111 -5.245 -5.360 -0.205 1.00 9.61 H new ATOM 0 HA THR A 111 -3.557 -5.612 -2.608 1.00 9.91 H new ATOM 0 HB THR A 111 -3.228 -7.006 0.064 1.00 9.68 H new ATOM 0 HG1 THR A 111 -1.573 -4.820 -0.499 1.00 9.38 H new ATOM 0 HG21 THR A 111 -0.874 -7.187 -0.654 1.00 9.85 H new ATOM 0 HG22 THR A 111 -1.979 -7.962 -1.814 1.00 9.85 H new ATOM 0 HG23 THR A 111 -1.281 -6.366 -2.180 1.00 9.85 H new ATOM 1727 N ASN A 112 -4.705 -7.709 -3.370 1.00 10.79 N ATOM 1728 CA ASN A 112 -5.336 -8.944 -3.826 1.00 11.60 C ATOM 1729 C ASN A 112 -4.531 -10.163 -3.394 1.00 12.13 C ATOM 1730 O ASN A 112 -3.304 -10.187 -3.501 1.00 12.20 O ATOM 1731 CB ASN A 112 -5.515 -8.939 -5.350 1.00 11.56 C ATOM 1732 CG ASN A 112 -5.783 -10.327 -5.911 1.00 12.27 C ATOM 1733 OD1 ASN A 112 -7.003 -10.812 -5.746 1.00 12.78 O flip ATOM 1734 ND2 ASN A 112 -4.894 -10.964 -6.477 1.00 12.44 N flip ATOM 0 H ASN A 112 -4.318 -7.130 -4.116 1.00 10.79 H new ATOM 0 HA ASN A 112 -6.321 -9.001 -3.362 1.00 11.60 H new ATOM 0 HB2 ASN A 112 -6.341 -8.279 -5.613 1.00 11.56 H new ATOM 0 HB3 ASN A 112 -4.619 -8.529 -5.816 1.00 11.56 H new ATOM 0 HD21 ASN A 112 -3.965 -10.557 -6.586 1.00 12.44 H new ATOM 0 HD22 ASN A 112 -5.087 -11.899 -6.837 1.00 12.44 H new ATOM 1741 N VAL A 113 -5.234 -11.166 -2.893 1.00 12.66 N ATOM 1742 CA VAL A 113 -4.601 -12.394 -2.449 1.00 13.37 C ATOM 1743 C VAL A 113 -4.937 -13.529 -3.407 1.00 13.66 C ATOM 1744 O VAL A 113 -4.047 -14.220 -3.905 1.00 13.93 O ATOM 1745 CB VAL A 113 -5.044 -12.782 -1.022 1.00 14.08 C ATOM 1746 CG1 VAL A 113 -4.281 -14.005 -0.537 1.00 14.64 C ATOM 1747 CG2 VAL A 113 -4.852 -11.616 -0.060 1.00 14.08 C ATOM 0 H VAL A 113 -6.248 -11.152 -2.784 1.00 12.66 H new ATOM 0 HA VAL A 113 -3.525 -12.222 -2.437 1.00 13.37 H new ATOM 0 HB VAL A 113 -6.105 -13.028 -1.052 1.00 14.08 H new ATOM 0 HG11 VAL A 113 -4.608 -14.262 0.471 1.00 14.64 H new ATOM 0 HG12 VAL A 113 -4.474 -14.843 -1.206 1.00 14.64 H new ATOM 0 HG13 VAL A 113 -3.213 -13.787 -0.527 1.00 14.64 H new ATOM 0 HG21 VAL A 113 -5.171 -11.912 0.939 1.00 14.08 H new ATOM 0 HG22 VAL A 113 -3.800 -11.333 -0.036 1.00 14.08 H new ATOM 0 HG23 VAL A 113 -5.448 -10.767 -0.394 1.00 14.08 H new ATOM 1757 N LYS A 114 -6.223 -13.706 -3.677 1.00 13.72 N ATOM 1758 CA LYS A 114 -6.678 -14.759 -4.572 1.00 14.09 C ATOM 1759 C LYS A 114 -7.723 -14.208 -5.532 1.00 14.38 C ATOM 1760 O LYS A 114 -7.334 -13.503 -6.492 1.00 14.73 O ATOM 1761 CB LYS A 114 -7.254 -15.935 -3.774 1.00 14.21 C ATOM 1762 CG LYS A 114 -6.259 -16.561 -2.806 1.00 14.60 C ATOM 1763 CD LYS A 114 -6.918 -17.597 -1.911 1.00 14.94 C ATOM 1764 CE LYS A 114 -6.975 -18.962 -2.578 1.00 15.49 C ATOM 1765 NZ LYS A 114 -7.621 -19.974 -1.702 1.00 16.02 N ATOM 0 H LYS A 114 -6.971 -13.132 -3.288 1.00 13.72 H new ATOM 0 HA LYS A 114 -5.826 -15.122 -5.146 1.00 14.09 H new ATOM 0 HB2 LYS A 114 -8.125 -15.592 -3.215 1.00 14.21 H new ATOM 0 HB3 LYS A 114 -7.602 -16.699 -4.469 1.00 14.21 H new ATOM 0 HG2 LYS A 114 -5.450 -17.028 -3.368 1.00 14.60 H new ATOM 0 HG3 LYS A 114 -5.811 -15.781 -2.190 1.00 14.60 H new ATOM 0 HD2 LYS A 114 -6.366 -17.673 -0.974 1.00 14.94 H new ATOM 0 HD3 LYS A 114 -7.928 -17.272 -1.661 1.00 14.94 H new ATOM 0 HE2 LYS A 114 -7.526 -18.887 -3.515 1.00 15.49 H new ATOM 0 HE3 LYS A 114 -5.965 -19.288 -2.828 1.00 15.49 H new ATOM 0 HZ1 LYS A 114 -7.642 -20.892 -2.190 1.00 16.02 H new ATOM 0 HZ2 LYS A 114 -7.080 -20.064 -0.818 1.00 16.02 H new ATOM 0 HZ3 LYS A 114 -8.593 -19.675 -1.484 1.00 16.02 H new TER 1779 LYS A 114 ATOM 1780 N CYS B 7 1.711 -14.259 9.927 1.00 7.31 N ATOM 1781 CA CYS B 7 1.578 -15.117 8.731 1.00 7.09 C ATOM 1782 C CYS B 7 1.206 -14.271 7.519 1.00 6.74 C ATOM 1783 O CYS B 7 0.027 -14.073 7.225 1.00 6.90 O ATOM 1784 CB CYS B 7 0.515 -16.191 8.974 1.00 7.27 C ATOM 1785 SG CYS B 7 0.700 -17.066 10.545 1.00 7.49 S ATOM 0 HA CYS B 7 2.533 -15.605 8.537 1.00 7.09 H new ATOM 0 HB2 CYS B 7 -0.470 -15.726 8.943 1.00 7.27 H new ATOM 0 HB3 CYS B 7 0.552 -16.915 8.160 1.00 7.27 H new ATOM 0 HG CYS B 7 -0.244 -17.952 10.662 1.00 7.49 H new ATOM 1791 N GLN B 8 2.215 -13.768 6.820 1.00 6.40 N ATOM 1792 CA GLN B 8 1.995 -12.924 5.652 1.00 6.15 C ATOM 1793 C GLN B 8 2.972 -13.282 4.533 1.00 5.98 C ATOM 1794 O GLN B 8 3.971 -13.963 4.774 1.00 5.98 O ATOM 1795 CB GLN B 8 2.159 -11.450 6.035 1.00 6.04 C ATOM 1796 CG GLN B 8 0.951 -10.858 6.746 1.00 6.41 C ATOM 1797 CD GLN B 8 -0.310 -10.899 5.902 1.00 6.68 C ATOM 1798 OE1 GLN B 8 -0.546 -10.022 5.073 1.00 6.77 O ATOM 1799 NE2 GLN B 8 -1.135 -11.910 6.116 1.00 7.12 N ATOM 0 H GLN B 8 3.197 -13.930 7.042 1.00 6.40 H new ATOM 0 HA GLN B 8 0.980 -13.093 5.291 1.00 6.15 H new ATOM 0 HB2 GLN B 8 3.033 -11.347 6.678 1.00 6.04 H new ATOM 0 HB3 GLN B 8 2.357 -10.871 5.133 1.00 6.04 H new ATOM 0 HG2 GLN B 8 0.779 -11.403 7.674 1.00 6.41 H new ATOM 0 HG3 GLN B 8 1.166 -9.825 7.018 1.00 6.41 H new ATOM 0 HE21 GLN B 8 -0.904 -12.618 6.813 1.00 7.12 H new ATOM 0 HE22 GLN B 8 -2.002 -11.982 5.584 1.00 7.12 H new ATOM 1808 N PRO B 9 2.687 -12.843 3.293 1.00 5.94 N ATOM 1809 CA PRO B 9 3.551 -13.105 2.137 1.00 5.86 C ATOM 1810 C PRO B 9 4.870 -12.336 2.221 1.00 5.25 C ATOM 1811 O PRO B 9 5.020 -11.427 3.042 1.00 4.75 O ATOM 1812 CB PRO B 9 2.732 -12.614 0.933 1.00 6.04 C ATOM 1813 CG PRO B 9 1.351 -12.383 1.451 1.00 6.18 C ATOM 1814 CD PRO B 9 1.497 -12.073 2.910 1.00 6.07 C ATOM 0 HA PRO B 9 3.824 -14.158 2.074 1.00 5.86 H new ATOM 0 HB2 PRO B 9 3.154 -11.698 0.520 1.00 6.04 H new ATOM 0 HB3 PRO B 9 2.731 -13.353 0.132 1.00 6.04 H new ATOM 0 HG2 PRO B 9 0.871 -11.558 0.924 1.00 6.18 H new ATOM 0 HG3 PRO B 9 0.727 -13.264 1.301 1.00 6.18 H new ATOM 0 HD2 PRO B 9 1.633 -11.006 3.084 1.00 6.07 H new ATOM 0 HD3 PRO B 9 0.618 -12.379 3.478 1.00 6.07 H new ATOM 1822 N THR B 10 5.818 -12.698 1.362 1.00 5.38 N ATOM 1823 CA THR B 10 7.123 -12.050 1.332 1.00 4.87 C ATOM 1824 C THR B 10 7.080 -10.760 0.510 1.00 4.51 C ATOM 1825 O THR B 10 7.805 -10.605 -0.474 1.00 4.85 O ATOM 1826 CB THR B 10 8.190 -13.000 0.756 1.00 5.16 C ATOM 1827 OG1 THR B 10 7.554 -14.134 0.141 1.00 5.81 O ATOM 1828 CG2 THR B 10 9.140 -13.474 1.847 1.00 5.01 C ATOM 0 H THR B 10 5.704 -13.442 0.673 1.00 5.38 H new ATOM 0 HA THR B 10 7.389 -11.798 2.359 1.00 4.87 H new ATOM 0 HB THR B 10 8.766 -12.455 0.008 1.00 5.16 H new ATOM 0 HG1 THR B 10 7.069 -13.843 -0.660 1.00 5.81 H new ATOM 0 HG21 THR B 10 9.884 -14.144 1.416 1.00 5.01 H new ATOM 0 HG22 THR B 10 9.640 -12.614 2.293 1.00 5.01 H new ATOM 0 HG23 THR B 10 8.577 -14.004 2.615 1.00 5.01 H new ATOM 1836 N GLU B 11 6.216 -9.848 0.926 1.00 4.02 N ATOM 1837 CA GLU B 11 6.045 -8.568 0.259 1.00 3.81 C ATOM 1838 C GLU B 11 5.341 -7.599 1.196 1.00 3.79 C ATOM 1839 O GLU B 11 4.305 -7.937 1.759 1.00 4.04 O ATOM 1840 CB GLU B 11 5.220 -8.745 -1.016 1.00 4.37 C ATOM 1841 CG GLU B 11 4.842 -7.435 -1.686 1.00 4.33 C ATOM 1842 CD GLU B 11 3.745 -7.608 -2.708 1.00 5.46 C ATOM 1843 OE1 GLU B 11 2.558 -7.509 -2.331 1.00 5.85 O ATOM 1844 OE2 GLU B 11 4.066 -7.848 -3.892 1.00 5.61 O ATOM 0 H GLU B 11 5.612 -9.975 1.738 1.00 4.02 H new ATOM 0 HA GLU B 11 7.024 -8.170 -0.008 1.00 3.81 H new ATOM 0 HB2 GLU B 11 5.785 -9.354 -1.722 1.00 4.37 H new ATOM 0 HB3 GLU B 11 4.311 -9.296 -0.776 1.00 4.37 H new ATOM 0 HG2 GLU B 11 4.519 -6.722 -0.928 1.00 4.33 H new ATOM 0 HG3 GLU B 11 5.722 -7.010 -2.169 1.00 4.33 H new ATOM 1851 N PHE B 12 5.895 -6.407 1.374 1.00 3.64 N ATOM 1852 CA PHE B 12 5.282 -5.423 2.256 1.00 3.90 C ATOM 1853 C PHE B 12 5.333 -4.025 1.659 1.00 3.61 C ATOM 1854 O PHE B 12 6.192 -3.715 0.835 1.00 3.37 O ATOM 1855 CB PHE B 12 5.942 -5.436 3.642 1.00 3.97 C ATOM 1856 CG PHE B 12 7.390 -5.019 3.668 1.00 5.41 C ATOM 1857 CD1 PHE B 12 8.394 -5.923 3.363 1.00 5.81 C ATOM 1858 CD2 PHE B 12 7.747 -3.727 4.021 1.00 5.41 C ATOM 1859 CE1 PHE B 12 9.724 -5.547 3.406 1.00 6.08 C ATOM 1860 CE2 PHE B 12 9.074 -3.346 4.069 1.00 5.75 C ATOM 1861 CZ PHE B 12 10.064 -4.257 3.760 1.00 4.19 C ATOM 0 H PHE B 12 6.758 -6.100 0.925 1.00 3.64 H new ATOM 0 HA PHE B 12 4.234 -5.702 2.369 1.00 3.90 H new ATOM 0 HB2 PHE B 12 5.379 -4.776 4.301 1.00 3.97 H new ATOM 0 HB3 PHE B 12 5.863 -6.442 4.055 1.00 3.97 H new ATOM 0 HD1 PHE B 12 8.135 -6.935 3.088 1.00 5.81 H new ATOM 0 HD2 PHE B 12 6.977 -3.009 4.262 1.00 5.41 H new ATOM 0 HE1 PHE B 12 10.496 -6.262 3.163 1.00 6.08 H new ATOM 0 HE2 PHE B 12 9.337 -2.336 4.348 1.00 5.75 H new ATOM 0 HZ PHE B 12 11.102 -3.961 3.795 1.00 4.19 H new ATOM 1871 N ILE B 13 4.397 -3.189 2.082 1.00 4.06 N ATOM 1872 CA ILE B 13 4.314 -1.819 1.608 1.00 4.31 C ATOM 1873 C ILE B 13 5.169 -0.900 2.469 1.00 4.64 C ATOM 1874 O ILE B 13 4.966 -0.799 3.680 1.00 5.17 O ATOM 1875 CB ILE B 13 2.850 -1.321 1.599 1.00 4.65 C ATOM 1876 CG1 ILE B 13 2.095 -1.943 0.428 1.00 5.25 C ATOM 1877 CG2 ILE B 13 2.779 0.201 1.531 1.00 4.81 C ATOM 1878 CD1 ILE B 13 2.775 -1.726 -0.904 1.00 5.57 C ATOM 0 H ILE B 13 3.678 -3.441 2.760 1.00 4.06 H new ATOM 0 HA ILE B 13 4.692 -1.799 0.586 1.00 4.31 H new ATOM 0 HB ILE B 13 2.381 -1.632 2.532 1.00 4.65 H new ATOM 0 HG12 ILE B 13 1.986 -3.013 0.602 1.00 5.25 H new ATOM 0 HG13 ILE B 13 1.090 -1.523 0.388 1.00 5.25 H new ATOM 0 HG21 ILE B 13 1.736 0.517 1.526 1.00 4.81 H new ATOM 0 HG22 ILE B 13 3.283 0.628 2.398 1.00 4.81 H new ATOM 0 HG23 ILE B 13 3.267 0.548 0.620 1.00 4.81 H new ATOM 0 HD11 ILE B 13 2.186 -2.193 -1.693 1.00 5.57 H new ATOM 0 HD12 ILE B 13 2.860 -0.657 -1.099 1.00 5.57 H new ATOM 0 HD13 ILE B 13 3.770 -2.171 -0.881 1.00 5.57 H new ATOM 1890 N SER B 14 6.129 -0.248 1.836 1.00 4.50 N ATOM 1891 CA SER B 14 7.021 0.668 2.521 1.00 4.98 C ATOM 1892 C SER B 14 6.705 2.110 2.130 1.00 5.30 C ATOM 1893 O SER B 14 7.192 2.607 1.112 1.00 4.82 O ATOM 1894 CB SER B 14 8.472 0.333 2.172 1.00 4.87 C ATOM 1895 OG SER B 14 8.628 -1.051 1.906 1.00 4.53 O ATOM 0 H SER B 14 6.311 -0.339 0.836 1.00 4.50 H new ATOM 0 HA SER B 14 6.878 0.563 3.596 1.00 4.98 H new ATOM 0 HB2 SER B 14 8.782 0.911 1.301 1.00 4.87 H new ATOM 0 HB3 SER B 14 9.124 0.624 2.996 1.00 4.87 H new ATOM 0 HG SER B 14 8.751 -1.534 2.750 1.00 4.53 H new ATOM 1901 N ARG B 15 5.871 2.770 2.923 1.00 6.21 N ATOM 1902 CA ARG B 15 5.501 4.154 2.660 1.00 6.71 C ATOM 1903 C ARG B 15 6.540 5.079 3.273 1.00 7.20 C ATOM 1904 O ARG B 15 6.630 5.200 4.497 1.00 7.59 O ATOM 1905 CB ARG B 15 4.114 4.463 3.236 1.00 7.25 C ATOM 1906 CG ARG B 15 3.076 3.402 2.914 1.00 7.11 C ATOM 1907 CD ARG B 15 1.789 3.618 3.696 1.00 7.81 C ATOM 1908 NE ARG B 15 0.783 4.335 2.917 1.00 7.98 N ATOM 1909 CZ ARG B 15 -0.364 3.798 2.505 1.00 8.52 C ATOM 1910 NH1 ARG B 15 -0.658 2.530 2.791 1.00 8.97 N ATOM 1911 NH2 ARG B 15 -1.216 4.533 1.802 1.00 8.77 N ATOM 0 H ARG B 15 5.438 2.368 3.754 1.00 6.21 H new ATOM 0 HA ARG B 15 5.464 4.311 1.582 1.00 6.71 H new ATOM 0 HB2 ARG B 15 4.193 4.566 4.318 1.00 7.25 H new ATOM 0 HB3 ARG B 15 3.774 5.423 2.848 1.00 7.25 H new ATOM 0 HG2 ARG B 15 2.860 3.417 1.846 1.00 7.11 H new ATOM 0 HG3 ARG B 15 3.480 2.416 3.144 1.00 7.11 H new ATOM 0 HD2 ARG B 15 1.387 2.653 4.004 1.00 7.81 H new ATOM 0 HD3 ARG B 15 2.008 4.177 4.606 1.00 7.81 H new ATOM 0 HE ARG B 15 0.971 5.308 2.673 1.00 7.98 H new ATOM 0 HH11 ARG B 15 -0.002 1.963 3.329 1.00 8.97 H new ATOM 0 HH12 ARG B 15 -1.539 2.126 2.472 1.00 8.97 H new ATOM 0 HH21 ARG B 15 -0.991 5.503 1.580 1.00 8.77 H new ATOM 0 HH22 ARG B 15 -2.096 4.128 1.483 1.00 8.77 H new ATOM 1925 N HIS B 16 7.335 5.712 2.429 1.00 7.22 N ATOM 1926 CA HIS B 16 8.379 6.609 2.901 1.00 7.74 C ATOM 1927 C HIS B 16 8.501 7.830 2.002 1.00 8.16 C ATOM 1928 O HIS B 16 7.975 7.842 0.893 1.00 8.31 O ATOM 1929 CB HIS B 16 9.725 5.876 2.976 1.00 7.44 C ATOM 1930 CG HIS B 16 10.222 5.340 1.663 1.00 7.53 C ATOM 1931 ND1 HIS B 16 10.768 6.136 0.678 1.00 7.88 N ATOM 1932 CD2 HIS B 16 10.264 4.076 1.182 1.00 7.45 C ATOM 1933 CE1 HIS B 16 11.120 5.386 -0.346 1.00 7.94 C ATOM 1934 NE2 HIS B 16 10.827 4.132 -0.068 1.00 7.70 N ATOM 0 H HIS B 16 7.279 5.623 1.414 1.00 7.22 H new ATOM 0 HA HIS B 16 8.102 6.945 3.900 1.00 7.74 H new ATOM 0 HB2 HIS B 16 10.473 6.558 3.381 1.00 7.44 H new ATOM 0 HB3 HIS B 16 9.634 5.049 3.680 1.00 7.44 H new ATOM 0 HD1 HIS B 16 10.882 7.148 0.734 1.00 7.88 H new ATOM 0 HD2 HIS B 16 9.918 3.187 1.689 1.00 7.45 H new ATOM 0 HE1 HIS B 16 11.573 5.740 -1.260 1.00 7.94 H new ATOM 1943 N ASN B 17 9.208 8.844 2.483 1.00 8.44 N ATOM 1944 CA ASN B 17 9.407 10.073 1.717 1.00 8.93 C ATOM 1945 C ASN B 17 10.506 9.878 0.667 1.00 8.16 C ATOM 1946 O ASN B 17 11.058 8.781 0.547 1.00 7.25 O ATOM 1947 CB ASN B 17 9.743 11.243 2.656 1.00 9.72 C ATOM 1948 CG ASN B 17 11.199 11.286 3.089 1.00 10.00 C ATOM 1949 OD1 ASN B 17 11.868 10.258 3.205 1.00 9.52 O ATOM 1950 ND2 ASN B 17 11.699 12.487 3.330 1.00 10.83 N ATOM 0 H ASN B 17 9.654 8.842 3.400 1.00 8.44 H new ATOM 0 HA ASN B 17 8.480 10.313 1.196 1.00 8.93 H new ATOM 0 HB2 ASN B 17 9.495 12.180 2.157 1.00 9.72 H new ATOM 0 HB3 ASN B 17 9.112 11.177 3.543 1.00 9.72 H new ATOM 0 HD21 ASN B 17 12.671 12.585 3.623 1.00 10.83 H new ATOM 0 HD22 ASN B 17 11.112 13.315 3.223 1.00 10.83 H new ATOM 1957 N ILE B 18 10.829 10.935 -0.079 1.00 8.56 N ATOM 1958 CA ILE B 18 11.849 10.859 -1.130 1.00 7.97 C ATOM 1959 C ILE B 18 13.217 10.435 -0.588 1.00 8.14 C ATOM 1960 O ILE B 18 13.960 9.722 -1.258 1.00 8.11 O ATOM 1961 CB ILE B 18 12.011 12.205 -1.877 1.00 8.20 C ATOM 1962 CG1 ILE B 18 12.368 13.335 -0.904 1.00 8.36 C ATOM 1963 CG2 ILE B 18 10.740 12.541 -2.643 1.00 8.89 C ATOM 1964 CD1 ILE B 18 13.130 14.472 -1.552 1.00 8.53 C ATOM 0 H ILE B 18 10.400 11.855 0.024 1.00 8.56 H new ATOM 0 HA ILE B 18 11.492 10.098 -1.824 1.00 7.97 H new ATOM 0 HB ILE B 18 12.831 12.103 -2.588 1.00 8.20 H new ATOM 0 HG12 ILE B 18 11.452 13.727 -0.463 1.00 8.36 H new ATOM 0 HG13 ILE B 18 12.965 12.927 -0.088 1.00 8.36 H new ATOM 0 HG21 ILE B 18 10.869 13.490 -3.163 1.00 8.89 H new ATOM 0 HG22 ILE B 18 10.534 11.754 -3.369 1.00 8.89 H new ATOM 0 HG23 ILE B 18 9.905 12.620 -1.946 1.00 8.89 H new ATOM 0 HD11 ILE B 18 13.349 15.235 -0.805 1.00 8.53 H new ATOM 0 HD12 ILE B 18 14.063 14.094 -1.969 1.00 8.53 H new ATOM 0 HD13 ILE B 18 12.527 14.907 -2.349 1.00 8.53 H new ATOM 1976 N GLU B 19 13.537 10.865 0.624 1.00 8.43 N ATOM 1977 CA GLU B 19 14.818 10.537 1.239 1.00 8.81 C ATOM 1978 C GLU B 19 14.875 9.069 1.651 1.00 8.59 C ATOM 1979 O GLU B 19 15.946 8.465 1.699 1.00 8.52 O ATOM 1980 CB GLU B 19 15.061 11.440 2.445 1.00 9.86 C ATOM 1981 CG GLU B 19 15.221 12.903 2.071 1.00 10.25 C ATOM 1982 CD GLU B 19 14.898 13.836 3.216 1.00 11.31 C ATOM 1983 OE1 GLU B 19 15.766 14.036 4.087 1.00 11.62 O ATOM 1984 OE2 GLU B 19 13.775 14.376 3.248 1.00 11.92 O ATOM 0 H GLU B 19 12.927 11.443 1.203 1.00 8.43 H new ATOM 0 HA GLU B 19 15.604 10.705 0.503 1.00 8.81 H new ATOM 0 HB2 GLU B 19 14.229 11.338 3.141 1.00 9.86 H new ATOM 0 HB3 GLU B 19 15.957 11.105 2.968 1.00 9.86 H new ATOM 0 HG2 GLU B 19 16.245 13.080 1.741 1.00 10.25 H new ATOM 0 HG3 GLU B 19 14.570 13.131 1.227 1.00 10.25 H new ATOM 1991 N GLY B 20 13.721 8.497 1.952 1.00 8.56 N ATOM 1992 CA GLY B 20 13.673 7.107 2.340 1.00 8.44 C ATOM 1993 C GLY B 20 13.165 6.900 3.748 1.00 8.57 C ATOM 1994 O GLY B 20 13.030 5.762 4.190 1.00 8.52 O ATOM 0 H GLY B 20 12.818 8.971 1.934 1.00 8.56 H new ATOM 0 HA2 GLY B 20 13.031 6.564 1.646 1.00 8.44 H new ATOM 0 HA3 GLY B 20 14.671 6.678 2.254 1.00 8.44 H new ATOM 1998 N ILE B 21 12.873 7.993 4.446 1.00 8.85 N ATOM 1999 CA ILE B 21 12.371 7.919 5.815 1.00 9.05 C ATOM 2000 C ILE B 21 10.989 7.279 5.830 1.00 8.72 C ATOM 2001 O ILE B 21 10.023 7.857 5.324 1.00 8.95 O ATOM 2002 CB ILE B 21 12.287 9.314 6.473 1.00 9.94 C ATOM 2003 CG1 ILE B 21 13.668 9.982 6.498 1.00 9.95 C ATOM 2004 CG2 ILE B 21 11.717 9.209 7.884 1.00 10.87 C ATOM 2005 CD1 ILE B 21 14.671 9.280 7.390 1.00 10.51 C ATOM 0 H ILE B 21 12.975 8.942 4.086 1.00 8.85 H new ATOM 0 HA ILE B 21 13.074 7.312 6.386 1.00 9.05 H new ATOM 0 HB ILE B 21 11.616 9.934 5.878 1.00 9.94 H new ATOM 0 HG12 ILE B 21 14.062 10.018 5.482 1.00 9.95 H new ATOM 0 HG13 ILE B 21 13.556 11.013 6.834 1.00 9.95 H new ATOM 0 HG21 ILE B 21 11.666 10.202 8.331 1.00 10.87 H new ATOM 0 HG22 ILE B 21 10.717 8.778 7.841 1.00 10.87 H new ATOM 0 HG23 ILE B 21 12.361 8.571 8.490 1.00 10.87 H new ATOM 0 HD11 ILE B 21 15.623 9.811 7.355 1.00 10.51 H new ATOM 0 HD12 ILE B 21 14.300 9.267 8.415 1.00 10.51 H new ATOM 0 HD13 ILE B 21 14.813 8.257 7.042 1.00 10.51 H new ATOM 2017 N PHE B 22 10.908 6.076 6.379 1.00 8.23 N ATOM 2018 CA PHE B 22 9.650 5.349 6.451 1.00 7.87 C ATOM 2019 C PHE B 22 8.670 6.048 7.384 1.00 7.79 C ATOM 2020 O PHE B 22 9.017 6.416 8.506 1.00 8.12 O ATOM 2021 CB PHE B 22 9.881 3.915 6.926 1.00 7.86 C ATOM 2022 CG PHE B 22 10.737 3.098 5.998 1.00 7.34 C ATOM 2023 CD1 PHE B 22 12.117 3.121 6.109 1.00 7.19 C ATOM 2024 CD2 PHE B 22 10.161 2.300 5.023 1.00 7.10 C ATOM 2025 CE1 PHE B 22 12.907 2.365 5.266 1.00 6.90 C ATOM 2026 CE2 PHE B 22 10.947 1.542 4.177 1.00 6.75 C ATOM 2027 CZ PHE B 22 12.321 1.573 4.299 1.00 6.69 C ATOM 0 H PHE B 22 11.703 5.581 6.783 1.00 8.23 H new ATOM 0 HA PHE B 22 9.223 5.326 5.448 1.00 7.87 H new ATOM 0 HB2 PHE B 22 10.349 3.939 7.910 1.00 7.86 H new ATOM 0 HB3 PHE B 22 8.916 3.422 7.044 1.00 7.86 H new ATOM 0 HD1 PHE B 22 12.581 3.738 6.864 1.00 7.19 H new ATOM 0 HD2 PHE B 22 9.086 2.270 4.923 1.00 7.10 H new ATOM 0 HE1 PHE B 22 13.982 2.393 5.363 1.00 6.90 H new ATOM 0 HE2 PHE B 22 10.486 0.925 3.420 1.00 6.75 H new ATOM 0 HZ PHE B 22 12.937 0.979 3.640 1.00 6.69 H new ATOM 2037 N THR B 23 7.451 6.239 6.905 1.00 7.44 N ATOM 2038 CA THR B 23 6.413 6.885 7.689 1.00 7.38 C ATOM 2039 C THR B 23 5.354 5.870 8.122 1.00 7.22 C ATOM 2040 O THR B 23 4.699 6.039 9.153 1.00 7.91 O ATOM 2041 CB THR B 23 5.745 8.011 6.880 1.00 7.22 C ATOM 2042 OG1 THR B 23 6.711 8.618 6.009 1.00 7.16 O ATOM 2043 CG2 THR B 23 5.147 9.066 7.801 1.00 7.36 C ATOM 0 H THR B 23 7.156 5.954 5.971 1.00 7.44 H new ATOM 0 HA THR B 23 6.880 7.312 8.576 1.00 7.38 H new ATOM 0 HB THR B 23 4.938 7.577 6.289 1.00 7.22 H new ATOM 0 HG1 THR B 23 6.283 9.333 5.494 1.00 7.16 H new ATOM 0 HG21 THR B 23 4.682 9.849 7.203 1.00 7.36 H new ATOM 0 HG22 THR B 23 4.396 8.605 8.443 1.00 7.36 H new ATOM 0 HG23 THR B 23 5.935 9.500 8.417 1.00 7.36 H new ATOM 2051 N PHE B 24 5.197 4.816 7.327 1.00 6.39 N ATOM 2052 CA PHE B 24 4.228 3.766 7.618 1.00 6.27 C ATOM 2053 C PHE B 24 4.591 2.497 6.856 1.00 5.44 C ATOM 2054 O PHE B 24 4.960 2.556 5.682 1.00 4.71 O ATOM 2055 CB PHE B 24 2.813 4.220 7.248 1.00 6.55 C ATOM 2056 CG PHE B 24 1.734 3.363 7.847 1.00 6.80 C ATOM 2057 CD1 PHE B 24 1.670 3.164 9.216 1.00 7.52 C ATOM 2058 CD2 PHE B 24 0.782 2.756 7.040 1.00 6.51 C ATOM 2059 CE1 PHE B 24 0.683 2.375 9.770 1.00 7.89 C ATOM 2060 CE2 PHE B 24 -0.209 1.966 7.590 1.00 6.98 C ATOM 2061 CZ PHE B 24 -0.259 1.776 8.957 1.00 7.64 C ATOM 0 H PHE B 24 5.732 4.667 6.472 1.00 6.39 H new ATOM 0 HA PHE B 24 4.252 3.557 8.688 1.00 6.27 H new ATOM 0 HB2 PHE B 24 2.673 5.250 7.576 1.00 6.55 H new ATOM 0 HB3 PHE B 24 2.710 4.215 6.163 1.00 6.55 H new ATOM 0 HD1 PHE B 24 2.402 3.632 9.858 1.00 7.52 H new ATOM 0 HD2 PHE B 24 0.816 2.903 5.971 1.00 6.51 H new ATOM 0 HE1 PHE B 24 0.647 2.226 10.839 1.00 7.89 H new ATOM 0 HE2 PHE B 24 -0.944 1.498 6.952 1.00 6.98 H new ATOM 0 HZ PHE B 24 -1.034 1.160 9.389 1.00 7.64 H new ATOM 2071 N VAL B 25 4.492 1.358 7.526 1.00 5.71 N ATOM 2072 CA VAL B 25 4.824 0.078 6.914 1.00 5.22 C ATOM 2073 C VAL B 25 3.659 -0.903 7.041 1.00 5.47 C ATOM 2074 O VAL B 25 2.917 -0.871 8.025 1.00 5.85 O ATOM 2075 CB VAL B 25 6.086 -0.545 7.561 1.00 5.58 C ATOM 2076 CG1 VAL B 25 6.602 -1.713 6.735 1.00 5.20 C ATOM 2077 CG2 VAL B 25 7.181 0.497 7.749 1.00 6.10 C ATOM 0 H VAL B 25 4.184 1.293 8.496 1.00 5.71 H new ATOM 0 HA VAL B 25 5.025 0.268 5.860 1.00 5.22 H new ATOM 0 HB VAL B 25 5.800 -0.919 8.544 1.00 5.58 H new ATOM 0 HG11 VAL B 25 7.488 -2.132 7.211 1.00 5.20 H new ATOM 0 HG12 VAL B 25 5.830 -2.479 6.667 1.00 5.20 H new ATOM 0 HG13 VAL B 25 6.858 -1.366 5.734 1.00 5.20 H new ATOM 0 HG21 VAL B 25 8.054 0.030 8.205 1.00 6.10 H new ATOM 0 HG22 VAL B 25 7.457 0.913 6.780 1.00 6.10 H new ATOM 0 HG23 VAL B 25 6.817 1.295 8.396 1.00 6.10 H new ATOM 2087 N ASP B 26 3.496 -1.753 6.033 1.00 5.31 N ATOM 2088 CA ASP B 26 2.435 -2.760 6.031 1.00 5.56 C ATOM 2089 C ASP B 26 2.761 -3.846 7.058 1.00 6.58 C ATOM 2090 O ASP B 26 3.914 -4.002 7.460 1.00 7.15 O ATOM 2091 CB ASP B 26 2.298 -3.378 4.631 1.00 4.87 C ATOM 2092 CG ASP B 26 0.923 -3.969 4.345 1.00 4.97 C ATOM 2093 OD1 ASP B 26 0.423 -4.772 5.155 1.00 5.05 O ATOM 2094 OD2 ASP B 26 0.351 -3.665 3.278 1.00 5.22 O ATOM 0 H ASP B 26 4.087 -1.766 5.202 1.00 5.31 H new ATOM 0 HA ASP B 26 1.489 -2.288 6.297 1.00 5.56 H new ATOM 0 HB2 ASP B 26 2.516 -2.614 3.885 1.00 4.87 H new ATOM 0 HB3 ASP B 26 3.049 -4.159 4.515 1.00 4.87 H new ATOM 2099 N HIS B 27 1.759 -4.618 7.448 1.00 6.95 N ATOM 2100 CA HIS B 27 1.934 -5.679 8.437 1.00 8.01 C ATOM 2101 C HIS B 27 2.534 -6.934 7.803 1.00 8.33 C ATOM 2102 O HIS B 27 2.184 -8.052 8.169 1.00 8.59 O ATOM 2103 CB HIS B 27 0.589 -6.031 9.077 1.00 8.34 C ATOM 2104 CG HIS B 27 0.209 -5.155 10.231 1.00 8.39 C ATOM 2105 ND1 HIS B 27 0.965 -4.416 11.076 1.00 8.80 N flip ATOM 2106 CD2 HIS B 27 -1.092 -4.995 10.650 1.00 8.34 C flip ATOM 2107 CE1 HIS B 27 0.112 -3.826 11.978 1.00 8.97 C flip ATOM 2108 NE2 HIS B 27 -1.123 -4.192 11.693 1.00 8.70 N flip ATOM 0 H HIS B 27 0.807 -4.531 7.093 1.00 6.95 H new ATOM 0 HA HIS B 27 2.620 -5.311 9.200 1.00 8.01 H new ATOM 0 HB2 HIS B 27 -0.190 -5.969 8.317 1.00 8.34 H new ATOM 0 HB3 HIS B 27 0.621 -7.066 9.417 1.00 8.34 H new ATOM 0 HD1 HIS B 27 1.980 -4.316 11.049 1.00 8.80 H new ATOM 0 HD2 HIS B 27 -1.955 -5.457 10.194 1.00 8.34 H new ATOM 0 HE1 HIS B 27 0.404 -3.172 12.786 1.00 8.97 H new ATOM 2117 N ARG B 28 3.445 -6.744 6.861 1.00 8.41 N ATOM 2118 CA ARG B 28 4.077 -7.866 6.173 1.00 8.82 C ATOM 2119 C ARG B 28 5.601 -7.744 6.205 1.00 9.34 C ATOM 2120 O ARG B 28 6.314 -8.582 5.652 1.00 9.76 O ATOM 2121 CB ARG B 28 3.588 -7.931 4.721 1.00 8.65 C ATOM 2122 CG ARG B 28 2.072 -7.983 4.573 1.00 9.09 C ATOM 2123 CD ARG B 28 1.639 -7.978 3.110 1.00 9.23 C ATOM 2124 NE ARG B 28 1.298 -6.632 2.632 1.00 9.07 N ATOM 2125 CZ ARG B 28 1.306 -6.261 1.346 1.00 9.17 C ATOM 2126 NH1 ARG B 28 1.687 -7.118 0.404 1.00 9.42 N ATOM 2127 NH2 ARG B 28 0.941 -5.023 1.013 1.00 9.14 N ATOM 0 H ARG B 28 3.765 -5.826 6.554 1.00 8.41 H new ATOM 0 HA ARG B 28 3.798 -8.784 6.691 1.00 8.82 H new ATOM 0 HB2 ARG B 28 3.964 -7.061 4.184 1.00 8.65 H new ATOM 0 HB3 ARG B 28 4.019 -8.811 4.244 1.00 8.65 H new ATOM 0 HG2 ARG B 28 1.691 -8.880 5.061 1.00 9.09 H new ATOM 0 HG3 ARG B 28 1.628 -7.129 5.085 1.00 9.09 H new ATOM 0 HD2 ARG B 28 2.441 -8.387 2.495 1.00 9.23 H new ATOM 0 HD3 ARG B 28 0.777 -8.634 2.987 1.00 9.23 H new ATOM 0 HE ARG B 28 1.037 -5.932 3.327 1.00 9.07 H new ATOM 0 HH11 ARG B 28 1.975 -8.062 0.660 1.00 9.42 H new ATOM 0 HH12 ARG B 28 1.692 -6.831 -0.575 1.00 9.42 H new ATOM 0 HH21 ARG B 28 0.657 -4.363 1.737 1.00 9.14 H new ATOM 0 HH22 ARG B 28 0.946 -4.736 0.034 1.00 9.14 H new ATOM 2141 N CYS B 29 6.093 -6.714 6.882 1.00 9.40 N ATOM 2142 CA CYS B 29 7.529 -6.454 6.968 1.00 9.95 C ATOM 2143 C CYS B 29 8.285 -7.583 7.670 1.00 10.96 C ATOM 2144 O CYS B 29 9.321 -8.048 7.181 1.00 11.56 O ATOM 2145 CB CYS B 29 7.762 -5.133 7.699 1.00 9.64 C ATOM 2146 SG CYS B 29 6.680 -4.898 9.125 1.00 9.41 S ATOM 0 H CYS B 29 5.516 -6.039 7.384 1.00 9.40 H new ATOM 0 HA CYS B 29 7.917 -6.395 5.951 1.00 9.95 H new ATOM 0 HB2 CYS B 29 8.800 -5.088 8.029 1.00 9.64 H new ATOM 0 HB3 CYS B 29 7.613 -4.309 7.001 1.00 9.64 H new ATOM 0 HG CYS B 29 5.489 -4.572 8.717 1.00 9.41 H new ATOM 2152 N VAL B 30 7.763 -8.030 8.805 1.00 11.19 N ATOM 2153 CA VAL B 30 8.400 -9.094 9.574 1.00 12.16 C ATOM 2154 C VAL B 30 8.347 -10.422 8.821 1.00 12.13 C ATOM 2155 O VAL B 30 9.205 -11.287 8.997 1.00 12.06 O ATOM 2156 CB VAL B 30 7.743 -9.263 10.960 1.00 12.71 C ATOM 2157 CG1 VAL B 30 8.606 -10.126 11.870 1.00 13.64 C ATOM 2158 CG2 VAL B 30 7.484 -7.908 11.600 1.00 12.09 C ATOM 0 H VAL B 30 6.900 -7.673 9.215 1.00 11.19 H new ATOM 0 HA VAL B 30 9.441 -8.804 9.715 1.00 12.16 H new ATOM 0 HB VAL B 30 6.787 -9.767 10.820 1.00 12.71 H new ATOM 0 HG11 VAL B 30 8.121 -10.230 12.841 1.00 13.64 H new ATOM 0 HG12 VAL B 30 8.735 -11.111 11.422 1.00 13.64 H new ATOM 0 HG13 VAL B 30 9.581 -9.656 12.000 1.00 13.64 H new ATOM 0 HG21 VAL B 30 7.020 -8.049 12.576 1.00 12.09 H new ATOM 0 HG22 VAL B 30 8.428 -7.376 11.720 1.00 12.09 H new ATOM 0 HG23 VAL B 30 6.818 -7.326 10.963 1.00 12.09 H new ATOM 2168 N ALA B 31 7.352 -10.567 7.961 1.00 12.22 N ATOM 2169 CA ALA B 31 7.197 -11.787 7.186 1.00 12.23 C ATOM 2170 C ALA B 31 8.140 -11.800 5.988 1.00 12.35 C ATOM 2171 O ALA B 31 8.479 -12.860 5.467 1.00 12.90 O ATOM 2172 CB ALA B 31 5.755 -11.936 6.726 1.00 12.06 C ATOM 0 H ALA B 31 6.642 -9.857 7.782 1.00 12.22 H new ATOM 0 HA ALA B 31 7.454 -12.631 7.826 1.00 12.23 H new ATOM 0 HB1 ALA B 31 5.651 -12.853 6.146 1.00 12.06 H new ATOM 0 HB2 ALA B 31 5.098 -11.979 7.595 1.00 12.06 H new ATOM 0 HB3 ALA B 31 5.481 -11.082 6.106 1.00 12.06 H new ATOM 2178 N THR B 32 8.579 -10.625 5.570 1.00 11.87 N ATOM 2179 CA THR B 32 9.465 -10.514 4.421 1.00 11.93 C ATOM 2180 C THR B 32 10.943 -10.522 4.824 1.00 12.13 C ATOM 2181 O THR B 32 11.704 -11.391 4.399 1.00 12.07 O ATOM 2182 CB THR B 32 9.162 -9.238 3.616 1.00 11.28 C ATOM 2183 OG1 THR B 32 7.751 -9.125 3.391 1.00 10.74 O ATOM 2184 CG2 THR B 32 9.888 -9.246 2.280 1.00 11.32 C ATOM 0 H THR B 32 8.338 -9.736 6.007 1.00 11.87 H new ATOM 0 HA THR B 32 9.279 -11.390 3.800 1.00 11.93 H new ATOM 0 HB THR B 32 9.513 -8.384 4.195 1.00 11.28 H new ATOM 0 HG1 THR B 32 7.316 -8.793 4.204 1.00 10.74 H new ATOM 0 HG21 THR B 32 9.655 -8.332 1.734 1.00 11.32 H new ATOM 0 HG22 THR B 32 10.963 -9.302 2.450 1.00 11.32 H new ATOM 0 HG23 THR B 32 9.567 -10.109 1.697 1.00 11.32 H new ATOM 2192 N VAL B 33 11.351 -9.557 5.642 1.00 12.47 N ATOM 2193 CA VAL B 33 12.748 -9.464 6.060 1.00 12.77 C ATOM 2194 C VAL B 33 12.908 -9.604 7.570 1.00 13.33 C ATOM 2195 O VAL B 33 14.030 -9.648 8.079 1.00 13.87 O ATOM 2196 CB VAL B 33 13.388 -8.131 5.616 1.00 12.98 C ATOM 2197 CG1 VAL B 33 13.748 -8.176 4.138 1.00 12.95 C ATOM 2198 CG2 VAL B 33 12.461 -6.959 5.904 1.00 13.04 C ATOM 0 H VAL B 33 10.742 -8.834 6.026 1.00 12.47 H new ATOM 0 HA VAL B 33 13.260 -10.294 5.572 1.00 12.77 H new ATOM 0 HB VAL B 33 14.303 -7.988 6.191 1.00 12.98 H new ATOM 0 HG11 VAL B 33 14.198 -7.228 3.844 1.00 12.95 H new ATOM 0 HG12 VAL B 33 14.457 -8.984 3.961 1.00 12.95 H new ATOM 0 HG13 VAL B 33 12.847 -8.348 3.549 1.00 12.95 H new ATOM 0 HG21 VAL B 33 12.936 -6.032 5.582 1.00 13.04 H new ATOM 0 HG22 VAL B 33 11.524 -7.094 5.363 1.00 13.04 H new ATOM 0 HG23 VAL B 33 12.258 -6.910 6.974 1.00 13.04 H new ATOM 2208 N GLY B 34 11.793 -9.671 8.284 1.00 13.22 N ATOM 2209 CA GLY B 34 11.849 -9.802 9.728 1.00 13.79 C ATOM 2210 C GLY B 34 12.080 -8.474 10.414 1.00 13.48 C ATOM 2211 O GLY B 34 12.520 -8.427 11.561 1.00 13.67 O ATOM 0 H GLY B 34 10.852 -9.637 7.891 1.00 13.22 H new ATOM 0 HA2 GLY B 34 10.917 -10.238 10.088 1.00 13.79 H new ATOM 0 HA3 GLY B 34 12.648 -10.492 9.998 1.00 13.79 H new ATOM 2215 N TYR B 35 11.783 -7.394 9.706 1.00 13.06 N ATOM 2216 CA TYR B 35 11.963 -6.055 10.243 1.00 12.84 C ATOM 2217 C TYR B 35 10.685 -5.555 10.891 1.00 12.88 C ATOM 2218 O TYR B 35 9.607 -5.631 10.297 1.00 12.93 O ATOM 2219 CB TYR B 35 12.379 -5.082 9.139 1.00 12.71 C ATOM 2220 CG TYR B 35 13.872 -4.961 8.961 1.00 13.12 C ATOM 2221 CD1 TYR B 35 14.741 -5.291 9.991 1.00 13.55 C ATOM 2222 CD2 TYR B 35 14.413 -4.518 7.762 1.00 13.47 C ATOM 2223 CE1 TYR B 35 16.105 -5.181 9.832 1.00 14.27 C ATOM 2224 CE2 TYR B 35 15.778 -4.407 7.595 1.00 14.23 C ATOM 2225 CZ TYR B 35 16.619 -4.741 8.633 1.00 14.46 C ATOM 2226 OH TYR B 35 17.981 -4.636 8.472 1.00 15.38 O ATOM 0 H TYR B 35 11.415 -7.420 8.755 1.00 13.06 H new ATOM 0 HA TYR B 35 12.749 -6.106 10.996 1.00 12.84 H new ATOM 0 HB2 TYR B 35 11.936 -5.406 8.197 1.00 12.71 H new ATOM 0 HB3 TYR B 35 11.969 -4.097 9.363 1.00 12.71 H new ATOM 0 HD1 TYR B 35 14.342 -5.640 10.932 1.00 13.55 H new ATOM 0 HD2 TYR B 35 13.755 -4.256 6.947 1.00 13.47 H new ATOM 0 HE1 TYR B 35 16.768 -5.439 10.644 1.00 14.27 H new ATOM 0 HE2 TYR B 35 16.184 -4.060 6.656 1.00 14.23 H new ATOM 0 HH TYR B 35 18.363 -5.527 8.326 1.00 15.38 H new ATOM 2236 N GLN B 36 10.808 -5.047 12.107 1.00 12.95 N ATOM 2237 CA GLN B 36 9.662 -4.514 12.820 1.00 13.09 C ATOM 2238 C GLN B 36 9.291 -3.160 12.227 1.00 13.29 C ATOM 2239 O GLN B 36 10.171 -2.408 11.809 1.00 13.05 O ATOM 2240 CB GLN B 36 9.972 -4.367 14.314 1.00 13.40 C ATOM 2241 CG GLN B 36 10.407 -5.663 14.983 1.00 13.22 C ATOM 2242 CD GLN B 36 9.335 -6.734 14.937 1.00 13.36 C ATOM 2243 OE1 GLN B 36 8.138 -6.436 14.943 1.00 13.78 O ATOM 2244 NE2 GLN B 36 9.751 -7.988 14.892 1.00 13.13 N ATOM 0 H GLN B 36 11.689 -4.993 12.619 1.00 12.95 H new ATOM 0 HA GLN B 36 8.825 -5.204 12.715 1.00 13.09 H new ATOM 0 HB2 GLN B 36 10.758 -3.622 14.441 1.00 13.40 H new ATOM 0 HB3 GLN B 36 9.087 -3.986 14.823 1.00 13.40 H new ATOM 0 HG2 GLN B 36 11.307 -6.035 14.494 1.00 13.22 H new ATOM 0 HG3 GLN B 36 10.668 -5.461 16.022 1.00 13.22 H new ATOM 0 HE21 GLN B 36 10.750 -8.194 14.889 1.00 13.13 H new ATOM 0 HE22 GLN B 36 9.073 -8.749 14.861 1.00 13.13 H new ATOM 2253 N PRO B 37 7.992 -2.827 12.173 1.00 13.77 N ATOM 2254 CA PRO B 37 7.528 -1.548 11.617 1.00 14.06 C ATOM 2255 C PRO B 37 8.203 -0.349 12.283 1.00 14.37 C ATOM 2256 O PRO B 37 8.473 0.668 11.645 1.00 14.17 O ATOM 2257 CB PRO B 37 6.026 -1.552 11.915 1.00 14.71 C ATOM 2258 CG PRO B 37 5.666 -2.992 12.053 1.00 14.52 C ATOM 2259 CD PRO B 37 6.872 -3.664 12.645 1.00 14.10 C ATOM 0 HA PRO B 37 7.763 -1.455 10.557 1.00 14.06 H new ATOM 0 HB2 PRO B 37 5.803 -1.000 12.828 1.00 14.71 H new ATOM 0 HB3 PRO B 37 5.462 -1.079 11.111 1.00 14.71 H new ATOM 0 HG2 PRO B 37 4.795 -3.117 12.696 1.00 14.52 H new ATOM 0 HG3 PRO B 37 5.413 -3.426 11.086 1.00 14.52 H new ATOM 0 HD2 PRO B 37 6.823 -3.693 13.733 1.00 14.10 H new ATOM 0 HD3 PRO B 37 6.967 -4.694 12.302 1.00 14.10 H new ATOM 2267 N GLN B 38 8.504 -0.500 13.566 1.00 14.87 N ATOM 2268 CA GLN B 38 9.139 0.552 14.352 1.00 15.23 C ATOM 2269 C GLN B 38 10.628 0.689 14.028 1.00 14.56 C ATOM 2270 O GLN B 38 11.243 1.708 14.344 1.00 14.37 O ATOM 2271 CB GLN B 38 8.949 0.272 15.846 1.00 16.33 C ATOM 2272 CG GLN B 38 7.488 0.207 16.273 1.00 17.13 C ATOM 2273 CD GLN B 38 6.911 -1.201 16.232 1.00 17.26 C ATOM 2274 OE1 GLN B 38 7.411 -2.081 15.523 1.00 17.15 O ATOM 2275 NE2 GLN B 38 5.844 -1.419 16.980 1.00 17.54 N ATOM 0 H GLN B 38 8.316 -1.354 14.092 1.00 14.87 H new ATOM 0 HA GLN B 38 8.660 1.496 14.092 1.00 15.23 H new ATOM 0 HB2 GLN B 38 9.434 -0.672 16.095 1.00 16.33 H new ATOM 0 HB3 GLN B 38 9.452 1.050 16.420 1.00 16.33 H new ATOM 0 HG2 GLN B 38 7.395 0.601 17.285 1.00 17.13 H new ATOM 0 HG3 GLN B 38 6.898 0.853 15.623 1.00 17.13 H new ATOM 0 HE21 GLN B 38 5.460 -0.667 17.552 1.00 17.54 H new ATOM 0 HE22 GLN B 38 5.404 -2.339 16.985 1.00 17.54 H new ATOM 2284 N GLU B 39 11.202 -0.329 13.395 1.00 14.24 N ATOM 2285 CA GLU B 39 12.617 -0.305 13.036 1.00 13.70 C ATOM 2286 C GLU B 39 12.849 0.602 11.837 1.00 13.37 C ATOM 2287 O GLU B 39 13.825 1.346 11.787 1.00 13.53 O ATOM 2288 CB GLU B 39 13.126 -1.712 12.710 1.00 13.16 C ATOM 2289 CG GLU B 39 13.439 -2.553 13.934 1.00 13.35 C ATOM 2290 CD GLU B 39 14.096 -3.872 13.580 1.00 12.51 C ATOM 2291 OE1 GLU B 39 15.293 -3.869 13.215 1.00 12.54 O ATOM 2292 OE2 GLU B 39 13.423 -4.922 13.675 1.00 12.57 O ATOM 0 H GLU B 39 10.711 -1.180 13.120 1.00 14.24 H new ATOM 0 HA GLU B 39 13.167 0.080 13.894 1.00 13.70 H new ATOM 0 HB2 GLU B 39 12.377 -2.228 12.109 1.00 13.16 H new ATOM 0 HB3 GLU B 39 14.025 -1.630 12.099 1.00 13.16 H new ATOM 0 HG2 GLU B 39 14.095 -1.991 14.599 1.00 13.35 H new ATOM 0 HG3 GLU B 39 12.518 -2.746 14.484 1.00 13.35 H new ATOM 2299 N LEU B 40 11.936 0.536 10.877 1.00 12.99 N ATOM 2300 CA LEU B 40 12.032 1.341 9.664 1.00 12.68 C ATOM 2301 C LEU B 40 11.672 2.799 9.939 1.00 12.42 C ATOM 2302 O LEU B 40 12.128 3.707 9.241 1.00 12.12 O ATOM 2303 CB LEU B 40 11.108 0.782 8.575 1.00 13.01 C ATOM 2304 CG LEU B 40 11.530 -0.554 7.944 1.00 13.16 C ATOM 2305 CD1 LEU B 40 13.040 -0.632 7.779 1.00 13.20 C ATOM 2306 CD2 LEU B 40 11.024 -1.728 8.767 1.00 14.03 C ATOM 0 H LEU B 40 11.116 -0.070 10.914 1.00 12.99 H new ATOM 0 HA LEU B 40 13.065 1.297 9.319 1.00 12.68 H new ATOM 0 HB2 LEU B 40 10.112 0.660 9.001 1.00 13.01 H new ATOM 0 HB3 LEU B 40 11.026 1.525 7.781 1.00 13.01 H new ATOM 0 HG LEU B 40 11.078 -0.608 6.954 1.00 13.16 H new ATOM 0 HD11 LEU B 40 13.308 -1.588 7.330 1.00 13.20 H new ATOM 0 HD12 LEU B 40 13.378 0.179 7.134 1.00 13.20 H new ATOM 0 HD13 LEU B 40 13.518 -0.542 8.755 1.00 13.20 H new ATOM 0 HD21 LEU B 40 11.336 -2.662 8.299 1.00 14.03 H new ATOM 0 HD22 LEU B 40 11.437 -1.671 9.774 1.00 14.03 H new ATOM 0 HD23 LEU B 40 9.936 -1.694 8.819 1.00 14.03 H new ATOM 2318 N LEU B 41 10.859 3.016 10.967 1.00 12.56 N ATOM 2319 CA LEU B 41 10.420 4.357 11.328 1.00 12.35 C ATOM 2320 C LEU B 41 11.599 5.247 11.708 1.00 11.89 C ATOM 2321 O LEU B 41 12.346 4.947 12.642 1.00 11.86 O ATOM 2322 CB LEU B 41 9.417 4.297 12.484 1.00 13.17 C ATOM 2323 CG LEU B 41 8.035 3.752 12.121 1.00 13.46 C ATOM 2324 CD1 LEU B 41 7.166 3.622 13.361 1.00 13.62 C ATOM 2325 CD2 LEU B 41 7.363 4.649 11.091 1.00 13.49 C ATOM 0 H LEU B 41 10.490 2.277 11.566 1.00 12.56 H new ATOM 0 HA LEU B 41 9.935 4.792 10.454 1.00 12.35 H new ATOM 0 HB2 LEU B 41 9.837 3.678 13.276 1.00 13.17 H new ATOM 0 HB3 LEU B 41 9.298 5.300 12.893 1.00 13.17 H new ATOM 0 HG LEU B 41 8.161 2.760 11.687 1.00 13.46 H new ATOM 0 HD11 LEU B 41 6.187 3.233 13.080 1.00 13.62 H new ATOM 0 HD12 LEU B 41 7.639 2.940 14.067 1.00 13.62 H new ATOM 0 HD13 LEU B 41 7.047 4.601 13.826 1.00 13.62 H new ATOM 0 HD21 LEU B 41 6.381 4.247 10.844 1.00 13.49 H new ATOM 0 HD22 LEU B 41 7.251 5.653 11.500 1.00 13.49 H new ATOM 0 HD23 LEU B 41 7.975 4.691 10.190 1.00 13.49 H new ATOM 2337 N GLY B 42 11.769 6.332 10.965 1.00 11.62 N ATOM 2338 CA GLY B 42 12.848 7.260 11.241 1.00 11.31 C ATOM 2339 C GLY B 42 14.165 6.839 10.623 1.00 11.25 C ATOM 2340 O GLY B 42 15.214 7.397 10.952 1.00 11.52 O ATOM 0 H GLY B 42 11.177 6.587 10.174 1.00 11.62 H new ATOM 0 HA2 GLY B 42 12.576 8.246 10.866 1.00 11.31 H new ATOM 0 HA3 GLY B 42 12.973 7.353 12.320 1.00 11.31 H new ATOM 2344 N LYS B 43 14.117 5.855 9.742 1.00 10.99 N ATOM 2345 CA LYS B 43 15.316 5.366 9.079 1.00 11.02 C ATOM 2346 C LYS B 43 15.177 5.489 7.569 1.00 10.14 C ATOM 2347 O LYS B 43 14.066 5.583 7.044 1.00 9.53 O ATOM 2348 CB LYS B 43 15.583 3.905 9.457 1.00 11.75 C ATOM 2349 CG LYS B 43 15.998 3.702 10.908 1.00 12.72 C ATOM 2350 CD LYS B 43 17.508 3.776 11.079 1.00 13.24 C ATOM 2351 CE LYS B 43 17.998 5.213 11.162 1.00 13.72 C ATOM 2352 NZ LYS B 43 19.482 5.295 11.145 1.00 13.82 N ATOM 0 H LYS B 43 13.259 5.377 9.468 1.00 10.99 H new ATOM 0 HA LYS B 43 16.158 5.975 9.408 1.00 11.02 H new ATOM 0 HB2 LYS B 43 14.683 3.321 9.263 1.00 11.75 H new ATOM 0 HB3 LYS B 43 16.365 3.511 8.808 1.00 11.75 H new ATOM 0 HG2 LYS B 43 15.524 4.460 11.531 1.00 12.72 H new ATOM 0 HG3 LYS B 43 15.640 2.733 11.257 1.00 12.72 H new ATOM 0 HD2 LYS B 43 17.798 3.241 11.983 1.00 13.24 H new ATOM 0 HD3 LYS B 43 17.993 3.274 10.242 1.00 13.24 H new ATOM 0 HE2 LYS B 43 17.593 5.783 10.326 1.00 13.72 H new ATOM 0 HE3 LYS B 43 17.619 5.673 12.075 1.00 13.72 H new ATOM 0 HZ1 LYS B 43 19.774 6.287 11.032 1.00 13.82 H new ATOM 0 HZ2 LYS B 43 19.861 4.922 12.039 1.00 13.82 H new ATOM 0 HZ3 LYS B 43 19.852 4.733 10.352 1.00 13.82 H new ATOM 2366 N ASN B 44 16.308 5.504 6.880 1.00 10.16 N ATOM 2367 CA ASN B 44 16.322 5.605 5.429 1.00 9.44 C ATOM 2368 C ASN B 44 16.389 4.214 4.815 1.00 9.58 C ATOM 2369 O ASN B 44 17.108 3.345 5.304 1.00 10.05 O ATOM 2370 CB ASN B 44 17.519 6.433 4.948 1.00 8.98 C ATOM 2371 CG ASN B 44 17.403 7.910 5.282 1.00 8.84 C ATOM 2372 OD1 ASN B 44 17.710 8.331 6.396 1.00 9.30 O ATOM 2373 ND2 ASN B 44 16.984 8.715 4.315 1.00 8.30 N ATOM 0 H ASN B 44 17.233 5.447 7.306 1.00 10.16 H new ATOM 0 HA ASN B 44 15.405 6.103 5.114 1.00 9.44 H new ATOM 0 HB2 ASN B 44 18.430 6.037 5.397 1.00 8.98 H new ATOM 0 HB3 ASN B 44 17.620 6.319 3.869 1.00 8.98 H new ATOM 0 HD21 ASN B 44 16.908 9.718 4.484 1.00 8.30 H new ATOM 0 HD22 ASN B 44 16.738 8.331 3.403 1.00 8.30 H new ATOM 2380 N ILE B 45 15.647 4.008 3.736 1.00 9.27 N ATOM 2381 CA ILE B 45 15.619 2.719 3.049 1.00 9.41 C ATOM 2382 C ILE B 45 17.001 2.348 2.501 1.00 9.62 C ATOM 2383 O ILE B 45 17.320 1.171 2.329 1.00 9.60 O ATOM 2384 CB ILE B 45 14.577 2.727 1.903 1.00 9.37 C ATOM 2385 CG1 ILE B 45 14.437 1.331 1.281 1.00 9.51 C ATOM 2386 CG2 ILE B 45 14.948 3.758 0.844 1.00 9.43 C ATOM 2387 CD1 ILE B 45 13.299 1.216 0.290 1.00 9.46 C ATOM 0 H ILE B 45 15.052 4.720 3.313 1.00 9.27 H new ATOM 0 HA ILE B 45 15.329 1.966 3.781 1.00 9.41 H new ATOM 0 HB ILE B 45 13.611 3.006 2.325 1.00 9.37 H new ATOM 0 HG12 ILE B 45 15.370 1.071 0.781 1.00 9.51 H new ATOM 0 HG13 ILE B 45 14.288 0.602 2.077 1.00 9.51 H new ATOM 0 HG21 ILE B 45 14.203 3.747 0.049 1.00 9.43 H new ATOM 0 HG22 ILE B 45 14.981 4.749 1.297 1.00 9.43 H new ATOM 0 HG23 ILE B 45 15.926 3.517 0.428 1.00 9.43 H new ATOM 0 HD11 ILE B 45 13.263 0.201 -0.107 1.00 9.46 H new ATOM 0 HD12 ILE B 45 12.357 1.444 0.789 1.00 9.46 H new ATOM 0 HD13 ILE B 45 13.456 1.920 -0.527 1.00 9.46 H new ATOM 2399 N VAL B 46 17.827 3.359 2.263 1.00 9.93 N ATOM 2400 CA VAL B 46 19.167 3.149 1.732 1.00 10.30 C ATOM 2401 C VAL B 46 20.092 2.531 2.788 1.00 10.43 C ATOM 2402 O VAL B 46 21.126 1.951 2.456 1.00 10.29 O ATOM 2403 CB VAL B 46 19.768 4.478 1.210 1.00 10.71 C ATOM 2404 CG1 VAL B 46 20.195 5.379 2.360 1.00 11.50 C ATOM 2405 CG2 VAL B 46 20.932 4.217 0.268 1.00 11.12 C ATOM 0 H VAL B 46 17.590 4.337 2.430 1.00 9.93 H new ATOM 0 HA VAL B 46 19.084 2.452 0.898 1.00 10.30 H new ATOM 0 HB VAL B 46 18.989 4.996 0.651 1.00 10.71 H new ATOM 0 HG11 VAL B 46 20.613 6.304 1.962 1.00 11.50 H new ATOM 0 HG12 VAL B 46 19.330 5.610 2.982 1.00 11.50 H new ATOM 0 HG13 VAL B 46 20.948 4.870 2.961 1.00 11.50 H new ATOM 0 HG21 VAL B 46 21.335 5.167 -0.084 1.00 11.12 H new ATOM 0 HG22 VAL B 46 21.710 3.665 0.795 1.00 11.12 H new ATOM 0 HG23 VAL B 46 20.586 3.632 -0.584 1.00 11.12 H new ATOM 2415 N GLU B 47 19.699 2.631 4.056 1.00 10.71 N ATOM 2416 CA GLU B 47 20.500 2.091 5.151 1.00 10.91 C ATOM 2417 C GLU B 47 20.377 0.573 5.222 1.00 11.16 C ATOM 2418 O GLU B 47 21.248 -0.108 5.758 1.00 11.89 O ATOM 2419 CB GLU B 47 20.065 2.699 6.484 1.00 10.79 C ATOM 2420 CG GLU B 47 20.103 4.215 6.507 1.00 10.56 C ATOM 2421 CD GLU B 47 19.776 4.776 7.873 1.00 10.89 C ATOM 2422 OE1 GLU B 47 20.561 4.549 8.818 1.00 11.17 O ATOM 2423 OE2 GLU B 47 18.738 5.450 8.013 1.00 10.95 O ATOM 0 H GLU B 47 18.832 3.080 4.350 1.00 10.71 H new ATOM 0 HA GLU B 47 21.541 2.351 4.959 1.00 10.91 H new ATOM 0 HB2 GLU B 47 19.052 2.367 6.711 1.00 10.79 H new ATOM 0 HB3 GLU B 47 20.710 2.317 7.275 1.00 10.79 H new ATOM 0 HG2 GLU B 47 21.093 4.556 6.204 1.00 10.56 H new ATOM 0 HG3 GLU B 47 19.394 4.605 5.777 1.00 10.56 H new ATOM 2430 N PHE B 48 19.289 0.053 4.679 1.00 10.58 N ATOM 2431 CA PHE B 48 19.044 -1.381 4.685 1.00 10.76 C ATOM 2432 C PHE B 48 19.173 -1.939 3.276 1.00 9.96 C ATOM 2433 O PHE B 48 18.641 -3.003 2.960 1.00 9.35 O ATOM 2434 CB PHE B 48 17.654 -1.678 5.246 1.00 11.00 C ATOM 2435 CG PHE B 48 17.350 -0.942 6.520 1.00 11.61 C ATOM 2436 CD1 PHE B 48 17.870 -1.379 7.726 1.00 12.05 C ATOM 2437 CD2 PHE B 48 16.545 0.186 6.509 1.00 11.83 C ATOM 2438 CE1 PHE B 48 17.596 -0.704 8.899 1.00 12.71 C ATOM 2439 CE2 PHE B 48 16.267 0.865 7.679 1.00 12.47 C ATOM 2440 CZ PHE B 48 16.793 0.419 8.876 1.00 13.60 C ATOM 0 H PHE B 48 18.559 0.604 4.227 1.00 10.58 H new ATOM 0 HA PHE B 48 19.787 -1.861 5.322 1.00 10.76 H new ATOM 0 HB2 PHE B 48 16.906 -1.417 4.498 1.00 11.00 H new ATOM 0 HB3 PHE B 48 17.565 -2.749 5.425 1.00 11.00 H new ATOM 0 HD1 PHE B 48 18.497 -2.258 7.750 1.00 12.05 H new ATOM 0 HD2 PHE B 48 16.131 0.538 5.576 1.00 11.83 H new ATOM 0 HE1 PHE B 48 18.009 -1.054 9.833 1.00 12.71 H new ATOM 0 HE2 PHE B 48 15.639 1.744 7.658 1.00 12.47 H new ATOM 0 HZ PHE B 48 16.576 0.948 9.792 1.00 13.60 H new ATOM 2450 N CYS B 49 19.889 -1.213 2.436 1.00 10.07 N ATOM 2451 CA CYS B 49 20.091 -1.617 1.058 1.00 9.47 C ATOM 2452 C CYS B 49 21.540 -2.024 0.830 1.00 9.93 C ATOM 2453 O CYS B 49 22.446 -1.541 1.516 1.00 10.81 O ATOM 2454 CB CYS B 49 19.706 -0.474 0.111 1.00 9.48 C ATOM 2455 SG CYS B 49 19.867 -0.872 -1.645 1.00 9.00 S ATOM 0 H CYS B 49 20.343 -0.335 2.688 1.00 10.07 H new ATOM 0 HA CYS B 49 19.453 -2.476 0.850 1.00 9.47 H new ATOM 0 HB2 CYS B 49 18.675 -0.184 0.312 1.00 9.48 H new ATOM 0 HB3 CYS B 49 20.330 0.392 0.333 1.00 9.48 H new ATOM 0 HG CYS B 49 18.943 -1.721 -1.984 1.00 9.00 H new ATOM 2461 N HIS B 50 21.743 -2.934 -0.116 1.00 9.34 N ATOM 2462 CA HIS B 50 23.072 -3.414 -0.468 1.00 9.67 C ATOM 2463 C HIS B 50 23.932 -2.242 -0.936 1.00 9.57 C ATOM 2464 O HIS B 50 23.527 -1.503 -1.824 1.00 9.10 O ATOM 2465 CB HIS B 50 22.950 -4.470 -1.574 1.00 9.86 C ATOM 2466 CG HIS B 50 24.171 -5.317 -1.765 1.00 10.44 C ATOM 2467 ND1 HIS B 50 24.694 -5.604 -3.004 1.00 10.42 N ATOM 2468 CD2 HIS B 50 24.955 -5.964 -0.869 1.00 11.13 C ATOM 2469 CE1 HIS B 50 25.749 -6.387 -2.865 1.00 11.06 C ATOM 2470 NE2 HIS B 50 25.928 -6.620 -1.577 1.00 11.49 N ATOM 0 H HIS B 50 20.991 -3.359 -0.659 1.00 9.34 H new ATOM 0 HA HIS B 50 23.547 -3.867 0.402 1.00 9.67 H new ATOM 0 HB2 HIS B 50 22.105 -5.120 -1.346 1.00 9.86 H new ATOM 0 HB3 HIS B 50 22.721 -3.968 -2.514 1.00 9.86 H new ATOM 0 HD1 HIS B 50 24.325 -5.265 -3.892 1.00 10.42 H new ATOM 0 HD2 HIS B 50 24.835 -5.963 0.204 1.00 11.13 H new ATOM 0 HE1 HIS B 50 26.361 -6.771 -3.668 1.00 11.06 H new ATOM 2479 N PRO B 51 25.120 -2.049 -0.331 1.00 10.07 N ATOM 2480 CA PRO B 51 26.031 -0.947 -0.683 1.00 10.05 C ATOM 2481 C PRO B 51 26.247 -0.789 -2.189 1.00 9.24 C ATOM 2482 O PRO B 51 26.247 0.324 -2.713 1.00 9.13 O ATOM 2483 CB PRO B 51 27.334 -1.343 0.007 1.00 10.76 C ATOM 2484 CG PRO B 51 26.900 -2.131 1.193 1.00 11.35 C ATOM 2485 CD PRO B 51 25.666 -2.878 0.765 1.00 10.77 C ATOM 0 HA PRO B 51 25.630 0.017 -0.370 1.00 10.05 H new ATOM 0 HB2 PRO B 51 27.969 -1.935 -0.652 1.00 10.76 H new ATOM 0 HB3 PRO B 51 27.910 -0.466 0.302 1.00 10.76 H new ATOM 0 HG2 PRO B 51 27.682 -2.820 1.511 1.00 11.35 H new ATOM 0 HG3 PRO B 51 26.687 -1.478 2.039 1.00 11.35 H new ATOM 0 HD2 PRO B 51 25.905 -3.886 0.425 1.00 10.77 H new ATOM 0 HD3 PRO B 51 24.954 -2.979 1.584 1.00 10.77 H new ATOM 2493 N GLU B 52 26.410 -1.906 -2.878 1.00 8.71 N ATOM 2494 CA GLU B 52 26.635 -1.902 -4.319 1.00 7.99 C ATOM 2495 C GLU B 52 25.342 -1.685 -5.109 1.00 7.30 C ATOM 2496 O GLU B 52 25.361 -1.664 -6.339 1.00 7.14 O ATOM 2497 CB GLU B 52 27.286 -3.217 -4.743 1.00 7.73 C ATOM 2498 CG GLU B 52 28.639 -3.466 -4.092 1.00 8.39 C ATOM 2499 CD GLU B 52 28.552 -4.319 -2.842 1.00 8.75 C ATOM 2500 OE1 GLU B 52 27.651 -4.091 -2.008 1.00 8.56 O ATOM 2501 OE2 GLU B 52 29.394 -5.226 -2.688 1.00 9.28 O ATOM 0 H GLU B 52 26.391 -2.836 -2.461 1.00 8.71 H new ATOM 0 HA GLU B 52 27.298 -1.066 -4.544 1.00 7.99 H new ATOM 0 HB2 GLU B 52 26.616 -4.041 -4.495 1.00 7.73 H new ATOM 0 HB3 GLU B 52 27.408 -3.220 -5.826 1.00 7.73 H new ATOM 0 HG2 GLU B 52 29.297 -3.953 -4.812 1.00 8.39 H new ATOM 0 HG3 GLU B 52 29.095 -2.509 -3.840 1.00 8.39 H new ATOM 2508 N ASP B 53 24.223 -1.527 -4.412 1.00 6.93 N ATOM 2509 CA ASP B 53 22.933 -1.318 -5.068 1.00 6.34 C ATOM 2510 C ASP B 53 22.210 -0.111 -4.477 1.00 5.91 C ATOM 2511 O ASP B 53 21.066 0.178 -4.833 1.00 5.54 O ATOM 2512 CB ASP B 53 22.052 -2.566 -4.933 1.00 6.55 C ATOM 2513 CG ASP B 53 22.632 -3.771 -5.643 1.00 6.92 C ATOM 2514 OD1 ASP B 53 22.595 -3.813 -6.891 1.00 6.70 O ATOM 2515 OD2 ASP B 53 23.135 -4.687 -4.956 1.00 7.52 O ATOM 0 H ASP B 53 24.180 -1.539 -3.393 1.00 6.93 H new ATOM 0 HA ASP B 53 23.123 -1.128 -6.124 1.00 6.34 H new ATOM 0 HB2 ASP B 53 21.921 -2.800 -3.877 1.00 6.55 H new ATOM 0 HB3 ASP B 53 21.063 -2.353 -5.338 1.00 6.55 H new ATOM 2520 N GLN B 54 22.886 0.591 -3.575 1.00 6.02 N ATOM 2521 CA GLN B 54 22.314 1.766 -2.924 1.00 5.71 C ATOM 2522 C GLN B 54 22.039 2.866 -3.942 1.00 5.50 C ATOM 2523 O GLN B 54 20.978 3.496 -3.919 1.00 5.31 O ATOM 2524 CB GLN B 54 23.245 2.272 -1.820 1.00 5.84 C ATOM 2525 CG GLN B 54 23.097 1.506 -0.516 1.00 6.08 C ATOM 2526 CD GLN B 54 24.194 1.812 0.484 1.00 6.24 C ATOM 2527 OE1 GLN B 54 25.335 2.092 0.112 1.00 6.57 O ATOM 2528 NE2 GLN B 54 23.853 1.773 1.761 1.00 6.11 N ATOM 0 H GLN B 54 23.835 0.366 -3.276 1.00 6.02 H new ATOM 0 HA GLN B 54 21.366 1.479 -2.470 1.00 5.71 H new ATOM 0 HB2 GLN B 54 24.277 2.199 -2.162 1.00 5.84 H new ATOM 0 HB3 GLN B 54 23.043 3.328 -1.639 1.00 5.84 H new ATOM 0 HG2 GLN B 54 22.131 1.744 -0.070 1.00 6.08 H new ATOM 0 HG3 GLN B 54 23.096 0.437 -0.728 1.00 6.08 H new ATOM 0 HE21 GLN B 54 22.897 1.537 2.027 1.00 6.11 H new ATOM 0 HE22 GLN B 54 24.546 1.979 2.480 1.00 6.11 H new ATOM 2537 N GLN B 55 22.993 3.077 -4.842 1.00 5.71 N ATOM 2538 CA GLN B 55 22.852 4.086 -5.880 1.00 5.60 C ATOM 2539 C GLN B 55 21.687 3.719 -6.793 1.00 4.67 C ATOM 2540 O GLN B 55 20.911 4.583 -7.197 1.00 4.24 O ATOM 2541 CB GLN B 55 24.155 4.211 -6.679 1.00 6.32 C ATOM 2542 CG GLN B 55 24.036 5.067 -7.932 1.00 6.58 C ATOM 2543 CD GLN B 55 23.593 6.490 -7.646 1.00 6.45 C ATOM 2544 OE1 GLN B 55 23.933 7.072 -6.615 1.00 6.54 O ATOM 2545 NE2 GLN B 55 22.817 7.055 -8.557 1.00 6.35 N ATOM 0 H GLN B 55 23.872 2.561 -4.872 1.00 5.71 H new ATOM 0 HA GLN B 55 22.645 5.052 -5.420 1.00 5.60 H new ATOM 0 HB2 GLN B 55 24.925 4.635 -6.034 1.00 6.32 H new ATOM 0 HB3 GLN B 55 24.491 3.214 -6.964 1.00 6.32 H new ATOM 0 HG2 GLN B 55 24.999 5.089 -8.442 1.00 6.58 H new ATOM 0 HG3 GLN B 55 23.325 4.603 -8.615 1.00 6.58 H new ATOM 0 HE21 GLN B 55 22.558 6.539 -9.398 1.00 6.35 H new ATOM 0 HE22 GLN B 55 22.478 8.007 -8.418 1.00 6.35 H new ATOM 2554 N LEU B 56 21.562 2.428 -7.088 1.00 4.60 N ATOM 2555 CA LEU B 56 20.489 1.924 -7.938 1.00 4.04 C ATOM 2556 C LEU B 56 19.127 2.293 -7.355 1.00 4.15 C ATOM 2557 O LEU B 56 18.219 2.707 -8.081 1.00 4.24 O ATOM 2558 CB LEU B 56 20.610 0.403 -8.088 1.00 3.86 C ATOM 2559 CG LEU B 56 19.399 -0.300 -8.705 1.00 3.93 C ATOM 2560 CD1 LEU B 56 19.234 0.097 -10.163 1.00 3.88 C ATOM 2561 CD2 LEU B 56 19.545 -1.809 -8.576 1.00 4.08 C ATOM 0 H LEU B 56 22.197 1.707 -6.747 1.00 4.60 H new ATOM 0 HA LEU B 56 20.577 2.384 -8.922 1.00 4.04 H new ATOM 0 HB2 LEU B 56 21.485 0.185 -8.701 1.00 3.86 H new ATOM 0 HB3 LEU B 56 20.795 -0.027 -7.104 1.00 3.86 H new ATOM 0 HG LEU B 56 18.505 0.011 -8.164 1.00 3.93 H new ATOM 0 HD11 LEU B 56 18.368 -0.414 -10.583 1.00 3.88 H new ATOM 0 HD12 LEU B 56 19.089 1.175 -10.232 1.00 3.88 H new ATOM 0 HD13 LEU B 56 20.127 -0.185 -10.720 1.00 3.88 H new ATOM 0 HD21 LEU B 56 18.677 -2.298 -9.019 1.00 4.08 H new ATOM 0 HD22 LEU B 56 20.447 -2.133 -9.094 1.00 4.08 H new ATOM 0 HD23 LEU B 56 19.615 -2.079 -7.522 1.00 4.08 H new ATOM 2573 N LEU B 57 18.995 2.151 -6.040 1.00 4.29 N ATOM 2574 CA LEU B 57 17.750 2.479 -5.358 1.00 4.67 C ATOM 2575 C LEU B 57 17.450 3.969 -5.493 1.00 4.68 C ATOM 2576 O LEU B 57 16.361 4.356 -5.917 1.00 4.66 O ATOM 2577 CB LEU B 57 17.826 2.100 -3.876 1.00 5.46 C ATOM 2578 CG LEU B 57 16.754 1.120 -3.394 1.00 5.72 C ATOM 2579 CD1 LEU B 57 16.690 1.112 -1.874 1.00 6.40 C ATOM 2580 CD2 LEU B 57 15.395 1.475 -3.979 1.00 5.94 C ATOM 0 H LEU B 57 19.735 1.811 -5.426 1.00 4.29 H new ATOM 0 HA LEU B 57 16.947 1.907 -5.824 1.00 4.67 H new ATOM 0 HB2 LEU B 57 18.806 1.666 -3.679 1.00 5.46 H new ATOM 0 HB3 LEU B 57 17.756 3.011 -3.281 1.00 5.46 H new ATOM 0 HG LEU B 57 17.024 0.122 -3.738 1.00 5.72 H new ATOM 0 HD11 LEU B 57 15.923 0.410 -1.546 1.00 6.40 H new ATOM 0 HD12 LEU B 57 17.656 0.808 -1.471 1.00 6.40 H new ATOM 0 HD13 LEU B 57 16.445 2.112 -1.515 1.00 6.40 H new ATOM 0 HD21 LEU B 57 14.649 0.765 -3.623 1.00 5.94 H new ATOM 0 HD22 LEU B 57 15.116 2.482 -3.667 1.00 5.94 H new ATOM 0 HD23 LEU B 57 15.445 1.433 -5.067 1.00 5.94 H new ATOM 2592 N ARG B 58 18.433 4.790 -5.147 1.00 4.80 N ATOM 2593 CA ARG B 58 18.296 6.240 -5.218 1.00 4.96 C ATOM 2594 C ARG B 58 17.971 6.687 -6.642 1.00 4.70 C ATOM 2595 O ARG B 58 17.095 7.525 -6.861 1.00 4.35 O ATOM 2596 CB ARG B 58 19.588 6.904 -4.741 1.00 5.25 C ATOM 2597 CG ARG B 58 19.564 8.419 -4.816 1.00 5.73 C ATOM 2598 CD ARG B 58 20.878 9.019 -4.346 1.00 6.55 C ATOM 2599 NE ARG B 58 20.917 10.463 -4.565 1.00 7.05 N ATOM 2600 CZ ARG B 58 22.027 11.193 -4.556 1.00 7.71 C ATOM 2601 NH1 ARG B 58 23.199 10.629 -4.292 1.00 8.02 N ATOM 2602 NH2 ARG B 58 21.957 12.496 -4.806 1.00 8.18 N ATOM 0 H ARG B 58 19.342 4.473 -4.811 1.00 4.80 H new ATOM 0 HA ARG B 58 17.473 6.543 -4.570 1.00 4.96 H new ATOM 0 HB2 ARG B 58 19.780 6.604 -3.711 1.00 5.25 H new ATOM 0 HB3 ARG B 58 20.419 6.533 -5.341 1.00 5.25 H new ATOM 0 HG2 ARG B 58 19.366 8.731 -5.842 1.00 5.73 H new ATOM 0 HG3 ARG B 58 18.748 8.802 -4.203 1.00 5.73 H new ATOM 0 HD2 ARG B 58 21.017 8.807 -3.286 1.00 6.55 H new ATOM 0 HD3 ARG B 58 21.705 8.547 -4.877 1.00 6.55 H new ATOM 0 HE ARG B 58 20.033 10.943 -4.736 1.00 7.05 H new ATOM 0 HH11 ARG B 58 23.251 9.630 -4.095 1.00 8.02 H new ATOM 0 HH12 ARG B 58 24.048 11.195 -4.287 1.00 8.02 H new ATOM 0 HH21 ARG B 58 21.055 12.930 -5.003 1.00 8.18 H new ATOM 0 HH22 ARG B 58 22.805 13.063 -4.801 1.00 8.18 H new ATOM 2616 N ASP B 59 18.680 6.110 -7.603 1.00 5.14 N ATOM 2617 CA ASP B 59 18.481 6.425 -9.014 1.00 5.25 C ATOM 2618 C ASP B 59 17.050 6.126 -9.443 1.00 5.09 C ATOM 2619 O ASP B 59 16.421 6.911 -10.153 1.00 5.01 O ATOM 2620 CB ASP B 59 19.456 5.618 -9.868 1.00 6.03 C ATOM 2621 CG ASP B 59 19.153 5.711 -11.348 1.00 6.00 C ATOM 2622 OD1 ASP B 59 19.405 6.779 -11.942 1.00 6.07 O ATOM 2623 OD2 ASP B 59 18.678 4.706 -11.922 1.00 6.01 O ATOM 0 H ASP B 59 19.405 5.414 -7.430 1.00 5.14 H new ATOM 0 HA ASP B 59 18.667 7.490 -9.157 1.00 5.25 H new ATOM 0 HB2 ASP B 59 20.471 5.972 -9.686 1.00 6.03 H new ATOM 0 HB3 ASP B 59 19.423 4.573 -9.560 1.00 6.03 H new ATOM 2628 N SER B 60 16.538 4.990 -8.995 1.00 5.19 N ATOM 2629 CA SER B 60 15.182 4.582 -9.324 1.00 5.23 C ATOM 2630 C SER B 60 14.167 5.523 -8.680 1.00 5.38 C ATOM 2631 O SER B 60 13.111 5.796 -9.255 1.00 5.59 O ATOM 2632 CB SER B 60 14.950 3.141 -8.877 1.00 5.37 C ATOM 2633 OG SER B 60 15.940 2.285 -9.427 1.00 5.26 O ATOM 0 H SER B 60 17.043 4.333 -8.401 1.00 5.19 H new ATOM 0 HA SER B 60 15.049 4.636 -10.405 1.00 5.23 H new ATOM 0 HB2 SER B 60 14.974 3.083 -7.789 1.00 5.37 H new ATOM 0 HB3 SER B 60 13.960 2.811 -9.192 1.00 5.37 H new ATOM 0 HG SER B 60 16.732 2.287 -8.850 1.00 5.26 H new ATOM 2639 N PHE B 61 14.495 6.026 -7.492 1.00 5.36 N ATOM 2640 CA PHE B 61 13.616 6.955 -6.792 1.00 5.54 C ATOM 2641 C PHE B 61 13.490 8.244 -7.589 1.00 5.60 C ATOM 2642 O PHE B 61 12.421 8.839 -7.666 1.00 5.81 O ATOM 2643 CB PHE B 61 14.143 7.268 -5.390 1.00 5.66 C ATOM 2644 CG PHE B 61 13.931 6.163 -4.399 1.00 6.31 C ATOM 2645 CD1 PHE B 61 12.772 5.403 -4.426 1.00 6.46 C ATOM 2646 CD2 PHE B 61 14.891 5.883 -3.442 1.00 6.89 C ATOM 2647 CE1 PHE B 61 12.578 4.385 -3.516 1.00 7.15 C ATOM 2648 CE2 PHE B 61 14.701 4.865 -2.529 1.00 7.61 C ATOM 2649 CZ PHE B 61 13.543 4.114 -2.567 1.00 7.73 C ATOM 0 H PHE B 61 15.359 5.806 -6.997 1.00 5.36 H new ATOM 0 HA PHE B 61 12.637 6.485 -6.692 1.00 5.54 H new ATOM 0 HB2 PHE B 61 15.209 7.486 -5.454 1.00 5.66 H new ATOM 0 HB3 PHE B 61 13.655 8.171 -5.022 1.00 5.66 H new ATOM 0 HD1 PHE B 61 12.014 5.610 -5.167 1.00 6.46 H new ATOM 0 HD2 PHE B 61 15.799 6.467 -3.409 1.00 6.89 H new ATOM 0 HE1 PHE B 61 11.671 3.800 -3.546 1.00 7.15 H new ATOM 0 HE2 PHE B 61 15.457 4.656 -1.786 1.00 7.61 H new ATOM 0 HZ PHE B 61 13.392 3.316 -1.855 1.00 7.73 H new ATOM 2659 N GLN B 62 14.591 8.658 -8.191 1.00 5.57 N ATOM 2660 CA GLN B 62 14.615 9.867 -8.999 1.00 5.90 C ATOM 2661 C GLN B 62 13.709 9.716 -10.212 1.00 6.02 C ATOM 2662 O GLN B 62 12.926 10.609 -10.538 1.00 5.80 O ATOM 2663 CB GLN B 62 16.043 10.160 -9.452 1.00 6.31 C ATOM 2664 CG GLN B 62 17.001 10.400 -8.301 1.00 6.71 C ATOM 2665 CD GLN B 62 16.664 11.651 -7.519 1.00 6.63 C ATOM 2666 OE1 GLN B 62 16.259 12.698 -8.221 1.00 6.49 O flip ATOM 2667 NE2 GLN B 62 16.790 11.684 -6.296 1.00 6.89 N flip ATOM 0 H GLN B 62 15.486 8.172 -8.135 1.00 5.57 H new ATOM 0 HA GLN B 62 14.251 10.697 -8.394 1.00 5.90 H new ATOM 0 HB2 GLN B 62 16.406 9.324 -10.049 1.00 6.31 H new ATOM 0 HB3 GLN B 62 16.038 11.036 -10.100 1.00 6.31 H new ATOM 0 HG2 GLN B 62 16.982 9.540 -7.631 1.00 6.71 H new ATOM 0 HG3 GLN B 62 18.017 10.480 -8.688 1.00 6.71 H new ATOM 0 HE21 GLN B 62 17.105 10.854 -5.793 1.00 6.89 H new ATOM 0 HE22 GLN B 62 16.579 12.541 -5.785 1.00 6.89 H new ATOM 2676 N GLN B 63 13.804 8.565 -10.857 1.00 6.58 N ATOM 2677 CA GLN B 63 13.012 8.283 -12.045 1.00 6.98 C ATOM 2678 C GLN B 63 11.526 8.150 -11.717 1.00 7.01 C ATOM 2679 O GLN B 63 10.679 8.636 -12.465 1.00 7.34 O ATOM 2680 CB GLN B 63 13.521 7.017 -12.726 1.00 7.70 C ATOM 2681 CG GLN B 63 14.940 7.154 -13.251 1.00 7.92 C ATOM 2682 CD GLN B 63 15.415 5.922 -13.989 1.00 8.79 C ATOM 2683 OE1 GLN B 63 15.232 5.801 -15.199 1.00 9.40 O ATOM 2684 NE2 GLN B 63 16.040 5.004 -13.272 1.00 8.92 N ATOM 0 H GLN B 63 14.425 7.806 -10.577 1.00 6.58 H new ATOM 0 HA GLN B 63 13.123 9.127 -12.726 1.00 6.98 H new ATOM 0 HB2 GLN B 63 13.480 6.189 -12.018 1.00 7.70 H new ATOM 0 HB3 GLN B 63 12.857 6.764 -13.552 1.00 7.70 H new ATOM 0 HG2 GLN B 63 14.994 8.014 -13.918 1.00 7.92 H new ATOM 0 HG3 GLN B 63 15.613 7.354 -12.417 1.00 7.92 H new ATOM 0 HE21 GLN B 63 16.172 5.142 -12.270 1.00 8.92 H new ATOM 0 HE22 GLN B 63 16.390 4.158 -13.721 1.00 8.92 H new ATOM 2693 N VAL B 64 11.202 7.501 -10.601 1.00 6.75 N ATOM 2694 CA VAL B 64 9.806 7.327 -10.215 1.00 6.88 C ATOM 2695 C VAL B 64 9.184 8.672 -9.831 1.00 6.48 C ATOM 2696 O VAL B 64 7.975 8.877 -9.986 1.00 6.34 O ATOM 2697 CB VAL B 64 9.631 6.296 -9.071 1.00 7.00 C ATOM 2698 CG1 VAL B 64 10.109 6.840 -7.734 1.00 6.47 C ATOM 2699 CG2 VAL B 64 8.182 5.850 -8.978 1.00 7.57 C ATOM 0 H VAL B 64 11.878 7.092 -9.956 1.00 6.75 H new ATOM 0 HA VAL B 64 9.281 6.928 -11.083 1.00 6.88 H new ATOM 0 HB VAL B 64 10.254 5.434 -9.310 1.00 7.00 H new ATOM 0 HG11 VAL B 64 9.967 6.084 -6.962 1.00 6.47 H new ATOM 0 HG12 VAL B 64 11.166 7.095 -7.802 1.00 6.47 H new ATOM 0 HG13 VAL B 64 9.536 7.731 -7.478 1.00 6.47 H new ATOM 0 HG21 VAL B 64 8.075 5.126 -8.170 1.00 7.57 H new ATOM 0 HG22 VAL B 64 7.548 6.713 -8.778 1.00 7.57 H new ATOM 0 HG23 VAL B 64 7.882 5.390 -9.919 1.00 7.57 H new ATOM 2709 N VAL B 65 10.014 9.588 -9.339 1.00 6.45 N ATOM 2710 CA VAL B 65 9.550 10.920 -8.975 1.00 6.37 C ATOM 2711 C VAL B 65 9.233 11.700 -10.246 1.00 6.93 C ATOM 2712 O VAL B 65 8.270 12.468 -10.302 1.00 7.43 O ATOM 2713 CB VAL B 65 10.598 11.681 -8.125 1.00 6.49 C ATOM 2714 CG1 VAL B 65 10.323 13.179 -8.097 1.00 6.77 C ATOM 2715 CG2 VAL B 65 10.632 11.127 -6.710 1.00 6.40 C ATOM 0 H VAL B 65 11.010 9.431 -9.184 1.00 6.45 H new ATOM 0 HA VAL B 65 8.652 10.819 -8.365 1.00 6.37 H new ATOM 0 HB VAL B 65 11.571 11.532 -8.592 1.00 6.49 H new ATOM 0 HG11 VAL B 65 11.080 13.677 -7.491 1.00 6.77 H new ATOM 0 HG12 VAL B 65 10.354 13.574 -9.113 1.00 6.77 H new ATOM 0 HG13 VAL B 65 9.338 13.360 -7.668 1.00 6.77 H new ATOM 0 HG21 VAL B 65 11.373 11.671 -6.124 1.00 6.40 H new ATOM 0 HG22 VAL B 65 9.650 11.242 -6.251 1.00 6.40 H new ATOM 0 HG23 VAL B 65 10.897 10.070 -6.739 1.00 6.40 H new ATOM 2725 N LYS B 66 10.050 11.482 -11.270 1.00 6.93 N ATOM 2726 CA LYS B 66 9.862 12.135 -12.559 1.00 7.52 C ATOM 2727 C LYS B 66 8.610 11.606 -13.240 1.00 7.28 C ATOM 2728 O LYS B 66 7.888 12.355 -13.899 1.00 7.59 O ATOM 2729 CB LYS B 66 11.073 11.899 -13.459 1.00 8.01 C ATOM 2730 CG LYS B 66 12.315 12.660 -13.029 1.00 8.37 C ATOM 2731 CD LYS B 66 13.548 12.149 -13.753 1.00 8.79 C ATOM 2732 CE LYS B 66 13.464 12.399 -15.252 1.00 9.69 C ATOM 2733 NZ LYS B 66 14.107 11.311 -16.029 1.00 10.21 N ATOM 0 H LYS B 66 10.853 10.854 -11.231 1.00 6.93 H new ATOM 0 HA LYS B 66 9.751 13.206 -12.387 1.00 7.52 H new ATOM 0 HB2 LYS B 66 11.299 10.833 -13.475 1.00 8.01 H new ATOM 0 HB3 LYS B 66 10.817 12.186 -14.479 1.00 8.01 H new ATOM 0 HG2 LYS B 66 12.183 13.722 -13.234 1.00 8.37 H new ATOM 0 HG3 LYS B 66 12.453 12.558 -11.953 1.00 8.37 H new ATOM 0 HD2 LYS B 66 14.435 12.639 -13.351 1.00 8.79 H new ATOM 0 HD3 LYS B 66 13.662 11.081 -13.568 1.00 8.79 H new ATOM 0 HE2 LYS B 66 12.419 12.488 -15.548 1.00 9.69 H new ATOM 0 HE3 LYS B 66 13.944 13.348 -15.490 1.00 9.69 H new ATOM 0 HZ1 LYS B 66 14.029 11.517 -17.045 1.00 10.21 H new ATOM 0 HZ2 LYS B 66 15.111 11.243 -15.765 1.00 10.21 H new ATOM 0 HZ3 LYS B 66 13.632 10.409 -15.822 1.00 10.21 H new ATOM 2747 N LEU B 67 8.368 10.306 -13.084 1.00 6.76 N ATOM 2748 CA LEU B 67 7.198 9.662 -13.667 1.00 6.53 C ATOM 2749 C LEU B 67 5.921 10.264 -13.091 1.00 6.28 C ATOM 2750 O LEU B 67 5.018 10.646 -13.839 1.00 6.36 O ATOM 2751 CB LEU B 67 7.239 8.154 -13.409 1.00 6.25 C ATOM 2752 CG LEU B 67 8.210 7.367 -14.294 1.00 6.32 C ATOM 2753 CD1 LEU B 67 8.375 5.949 -13.774 1.00 5.80 C ATOM 2754 CD2 LEU B 67 7.720 7.350 -15.733 1.00 7.20 C ATOM 0 H LEU B 67 8.972 9.677 -12.555 1.00 6.76 H new ATOM 0 HA LEU B 67 7.207 9.831 -14.744 1.00 6.53 H new ATOM 0 HB2 LEU B 67 7.507 7.987 -12.366 1.00 6.25 H new ATOM 0 HB3 LEU B 67 6.236 7.750 -13.549 1.00 6.25 H new ATOM 0 HG LEU B 67 9.181 7.860 -14.264 1.00 6.32 H new ATOM 0 HD11 LEU B 67 9.068 5.405 -14.415 1.00 5.80 H new ATOM 0 HD12 LEU B 67 8.767 5.978 -12.757 1.00 5.80 H new ATOM 0 HD13 LEU B 67 7.408 5.446 -13.776 1.00 5.80 H new ATOM 0 HD21 LEU B 67 8.421 6.787 -16.349 1.00 7.20 H new ATOM 0 HD22 LEU B 67 6.738 6.879 -15.777 1.00 7.20 H new ATOM 0 HD23 LEU B 67 7.649 8.372 -16.105 1.00 7.20 H new ATOM 2766 N LYS B 68 5.875 10.352 -11.758 1.00 6.08 N ATOM 2767 CA LYS B 68 4.736 10.920 -11.033 1.00 6.00 C ATOM 2768 C LYS B 68 3.456 10.107 -11.227 1.00 5.93 C ATOM 2769 O LYS B 68 2.892 10.055 -12.322 1.00 6.24 O ATOM 2770 CB LYS B 68 4.494 12.370 -11.460 1.00 6.26 C ATOM 2771 CG LYS B 68 4.828 13.397 -10.392 1.00 6.39 C ATOM 2772 CD LYS B 68 4.333 14.778 -10.786 1.00 6.79 C ATOM 2773 CE LYS B 68 4.574 15.797 -9.686 1.00 7.05 C ATOM 2774 NZ LYS B 68 4.005 17.125 -10.035 1.00 7.58 N ATOM 0 H LYS B 68 6.629 10.030 -11.151 1.00 6.08 H new ATOM 0 HA LYS B 68 4.992 10.888 -9.974 1.00 6.00 H new ATOM 0 HB2 LYS B 68 5.089 12.580 -12.349 1.00 6.26 H new ATOM 0 HB3 LYS B 68 3.448 12.484 -11.743 1.00 6.26 H new ATOM 0 HG2 LYS B 68 4.376 13.102 -9.445 1.00 6.39 H new ATOM 0 HG3 LYS B 68 5.906 13.425 -10.235 1.00 6.39 H new ATOM 0 HD2 LYS B 68 4.838 15.099 -11.697 1.00 6.79 H new ATOM 0 HD3 LYS B 68 3.268 14.732 -11.012 1.00 6.79 H new ATOM 0 HE2 LYS B 68 4.128 15.442 -8.757 1.00 7.05 H new ATOM 0 HE3 LYS B 68 5.645 15.895 -9.508 1.00 7.05 H new ATOM 0 HZ1 LYS B 68 3.753 17.634 -9.164 1.00 7.58 H new ATOM 0 HZ2 LYS B 68 4.709 17.676 -10.567 1.00 7.58 H new ATOM 0 HZ3 LYS B 68 3.154 16.996 -10.619 1.00 7.58 H new ATOM 2788 N GLY B 69 3.001 9.473 -10.153 1.00 5.57 N ATOM 2789 CA GLY B 69 1.777 8.694 -10.211 1.00 5.53 C ATOM 2790 C GLY B 69 1.970 7.353 -10.879 1.00 5.28 C ATOM 2791 O GLY B 69 1.017 6.757 -11.385 1.00 5.43 O ATOM 0 H GLY B 69 3.458 9.484 -9.241 1.00 5.57 H new ATOM 0 HA2 GLY B 69 1.401 8.541 -9.200 1.00 5.53 H new ATOM 0 HA3 GLY B 69 1.017 9.259 -10.752 1.00 5.53 H new ATOM 2795 N GLN B 70 3.200 6.875 -10.880 1.00 4.96 N ATOM 2796 CA GLN B 70 3.517 5.602 -11.496 1.00 4.76 C ATOM 2797 C GLN B 70 4.310 4.727 -10.542 1.00 4.34 C ATOM 2798 O GLN B 70 4.819 5.202 -9.524 1.00 3.78 O ATOM 2799 CB GLN B 70 4.300 5.811 -12.792 1.00 4.98 C ATOM 2800 CG GLN B 70 3.485 5.524 -14.042 1.00 5.08 C ATOM 2801 CD GLN B 70 2.582 4.318 -13.873 1.00 5.18 C ATOM 2802 OE1 GLN B 70 3.040 3.175 -13.911 1.00 5.27 O ATOM 2803 NE2 GLN B 70 1.293 4.564 -13.692 1.00 5.43 N ATOM 0 H GLN B 70 3.998 7.351 -10.459 1.00 4.96 H new ATOM 0 HA GLN B 70 2.580 5.098 -11.732 1.00 4.76 H new ATOM 0 HB2 GLN B 70 4.659 6.840 -12.829 1.00 4.98 H new ATOM 0 HB3 GLN B 70 5.179 5.167 -12.785 1.00 4.98 H new ATOM 0 HG2 GLN B 70 2.880 6.397 -14.288 1.00 5.08 H new ATOM 0 HG3 GLN B 70 4.159 5.356 -14.882 1.00 5.08 H new ATOM 0 HE21 GLN B 70 0.956 5.526 -13.667 1.00 5.43 H new ATOM 0 HE22 GLN B 70 0.637 3.791 -13.578 1.00 5.43 H new ATOM 2812 N VAL B 71 4.411 3.453 -10.877 1.00 4.77 N ATOM 2813 CA VAL B 71 5.133 2.507 -10.050 1.00 4.57 C ATOM 2814 C VAL B 71 6.345 1.946 -10.795 1.00 4.76 C ATOM 2815 O VAL B 71 6.216 1.355 -11.869 1.00 5.54 O ATOM 2816 CB VAL B 71 4.210 1.357 -9.572 1.00 5.23 C ATOM 2817 CG1 VAL B 71 3.447 0.739 -10.732 1.00 5.54 C ATOM 2818 CG2 VAL B 71 5.004 0.295 -8.827 1.00 5.65 C ATOM 0 H VAL B 71 4.000 3.050 -11.719 1.00 4.77 H new ATOM 0 HA VAL B 71 5.487 3.043 -9.169 1.00 4.57 H new ATOM 0 HB VAL B 71 3.482 1.786 -8.884 1.00 5.23 H new ATOM 0 HG11 VAL B 71 2.810 -0.064 -10.362 1.00 5.54 H new ATOM 0 HG12 VAL B 71 2.831 1.501 -11.209 1.00 5.54 H new ATOM 0 HG13 VAL B 71 4.153 0.336 -11.458 1.00 5.54 H new ATOM 0 HG21 VAL B 71 4.333 -0.500 -8.502 1.00 5.65 H new ATOM 0 HG22 VAL B 71 5.766 -0.120 -9.487 1.00 5.65 H new ATOM 0 HG23 VAL B 71 5.483 0.743 -7.957 1.00 5.65 H new ATOM 2828 N LEU B 72 7.522 2.162 -10.230 1.00 4.15 N ATOM 2829 CA LEU B 72 8.757 1.676 -10.822 1.00 4.35 C ATOM 2830 C LEU B 72 9.296 0.505 -10.012 1.00 4.51 C ATOM 2831 O LEU B 72 9.588 0.640 -8.822 1.00 4.34 O ATOM 2832 CB LEU B 72 9.801 2.790 -10.901 1.00 3.90 C ATOM 2833 CG LEU B 72 11.099 2.410 -11.617 1.00 3.93 C ATOM 2834 CD1 LEU B 72 10.833 2.093 -13.081 1.00 4.31 C ATOM 2835 CD2 LEU B 72 12.120 3.526 -11.494 1.00 4.11 C ATOM 0 H LEU B 72 7.648 2.674 -9.357 1.00 4.15 H new ATOM 0 HA LEU B 72 8.543 1.340 -11.837 1.00 4.35 H new ATOM 0 HB2 LEU B 72 9.359 3.646 -11.411 1.00 3.90 H new ATOM 0 HB3 LEU B 72 10.043 3.113 -9.889 1.00 3.90 H new ATOM 0 HG LEU B 72 11.503 1.517 -11.141 1.00 3.93 H new ATOM 0 HD11 LEU B 72 11.769 1.825 -13.571 1.00 4.31 H new ATOM 0 HD12 LEU B 72 10.135 1.259 -13.152 1.00 4.31 H new ATOM 0 HD13 LEU B 72 10.404 2.967 -13.571 1.00 4.31 H new ATOM 0 HD21 LEU B 72 13.037 3.239 -12.009 1.00 4.11 H new ATOM 0 HD22 LEU B 72 11.721 4.435 -11.944 1.00 4.11 H new ATOM 0 HD23 LEU B 72 12.337 3.707 -10.441 1.00 4.11 H new ATOM 2847 N SER B 73 9.414 -0.640 -10.659 1.00 5.01 N ATOM 2848 CA SER B 73 9.904 -1.841 -10.007 1.00 5.35 C ATOM 2849 C SER B 73 11.423 -1.936 -10.118 1.00 5.09 C ATOM 2850 O SER B 73 11.965 -2.112 -11.211 1.00 5.62 O ATOM 2851 CB SER B 73 9.249 -3.079 -10.629 1.00 6.05 C ATOM 2852 OG SER B 73 8.019 -2.747 -11.262 1.00 6.35 O ATOM 0 H SER B 73 9.175 -0.764 -11.643 1.00 5.01 H new ATOM 0 HA SER B 73 9.641 -1.792 -8.950 1.00 5.35 H new ATOM 0 HB2 SER B 73 9.927 -3.525 -11.357 1.00 6.05 H new ATOM 0 HB3 SER B 73 9.073 -3.827 -9.856 1.00 6.05 H new ATOM 0 HG SER B 73 7.912 -3.287 -12.073 1.00 6.35 H new ATOM 2858 N VAL B 74 12.106 -1.795 -8.992 1.00 4.34 N ATOM 2859 CA VAL B 74 13.559 -1.878 -8.962 1.00 4.11 C ATOM 2860 C VAL B 74 13.991 -3.148 -8.233 1.00 3.81 C ATOM 2861 O VAL B 74 13.483 -3.463 -7.156 1.00 3.69 O ATOM 2862 CB VAL B 74 14.197 -0.627 -8.300 1.00 3.94 C ATOM 2863 CG1 VAL B 74 13.580 -0.344 -6.938 1.00 3.77 C ATOM 2864 CG2 VAL B 74 15.706 -0.785 -8.178 1.00 3.75 C ATOM 0 H VAL B 74 11.676 -1.622 -8.084 1.00 4.34 H new ATOM 0 HA VAL B 74 13.914 -1.914 -9.992 1.00 4.11 H new ATOM 0 HB VAL B 74 13.991 0.226 -8.947 1.00 3.94 H new ATOM 0 HG11 VAL B 74 14.049 0.538 -6.502 1.00 3.77 H new ATOM 0 HG12 VAL B 74 12.511 -0.167 -7.053 1.00 3.77 H new ATOM 0 HG13 VAL B 74 13.738 -1.200 -6.282 1.00 3.77 H new ATOM 0 HG21 VAL B 74 16.128 0.105 -7.711 1.00 3.75 H new ATOM 0 HG22 VAL B 74 15.932 -1.658 -7.566 1.00 3.75 H new ATOM 0 HG23 VAL B 74 16.140 -0.915 -9.170 1.00 3.75 H new ATOM 2874 N MET B 75 14.915 -3.885 -8.830 1.00 3.91 N ATOM 2875 CA MET B 75 15.391 -5.125 -8.237 1.00 3.74 C ATOM 2876 C MET B 75 16.794 -4.954 -7.668 1.00 3.48 C ATOM 2877 O MET B 75 17.753 -4.714 -8.402 1.00 3.88 O ATOM 2878 CB MET B 75 15.379 -6.255 -9.267 1.00 4.24 C ATOM 2879 CG MET B 75 15.651 -7.626 -8.668 1.00 4.67 C ATOM 2880 SD MET B 75 15.786 -8.918 -9.918 1.00 5.41 S ATOM 2881 CE MET B 75 15.904 -10.374 -8.883 1.00 5.42 C ATOM 0 H MET B 75 15.349 -3.647 -9.722 1.00 3.91 H new ATOM 0 HA MET B 75 14.716 -5.385 -7.421 1.00 3.74 H new ATOM 0 HB2 MET B 75 14.410 -6.271 -9.765 1.00 4.24 H new ATOM 0 HB3 MET B 75 16.127 -6.047 -10.032 1.00 4.24 H new ATOM 0 HG2 MET B 75 16.574 -7.588 -8.089 1.00 4.67 H new ATOM 0 HG3 MET B 75 14.850 -7.880 -7.974 1.00 4.67 H new ATOM 0 HE1 MET B 75 15.426 -11.216 -9.383 1.00 5.42 H new ATOM 0 HE2 MET B 75 16.953 -10.608 -8.702 1.00 5.42 H new ATOM 0 HE3 MET B 75 15.405 -10.186 -7.932 1.00 5.42 H new ATOM 2891 N PHE B 76 16.895 -5.078 -6.357 1.00 3.08 N ATOM 2892 CA PHE B 76 18.165 -4.948 -5.660 1.00 3.15 C ATOM 2893 C PHE B 76 18.185 -5.912 -4.483 1.00 3.14 C ATOM 2894 O PHE B 76 17.252 -6.693 -4.310 1.00 3.00 O ATOM 2895 CB PHE B 76 18.366 -3.506 -5.173 1.00 3.19 C ATOM 2896 CG PHE B 76 17.307 -3.038 -4.212 1.00 3.34 C ATOM 2897 CD1 PHE B 76 16.119 -2.501 -4.678 1.00 3.27 C ATOM 2898 CD2 PHE B 76 17.499 -3.139 -2.842 1.00 3.47 C ATOM 2899 CE1 PHE B 76 15.144 -2.074 -3.799 1.00 3.36 C ATOM 2900 CE2 PHE B 76 16.528 -2.712 -1.958 1.00 3.54 C ATOM 2901 CZ PHE B 76 15.349 -2.181 -2.438 1.00 2.78 C ATOM 0 H PHE B 76 16.102 -5.271 -5.745 1.00 3.08 H new ATOM 0 HA PHE B 76 18.979 -5.190 -6.343 1.00 3.15 H new ATOM 0 HB2 PHE B 76 19.341 -3.427 -4.692 1.00 3.19 H new ATOM 0 HB3 PHE B 76 18.381 -2.840 -6.035 1.00 3.19 H new ATOM 0 HD1 PHE B 76 15.953 -2.415 -5.742 1.00 3.27 H new ATOM 0 HD2 PHE B 76 18.420 -3.557 -2.462 1.00 3.47 H new ATOM 0 HE1 PHE B 76 14.222 -1.657 -4.176 1.00 3.36 H new ATOM 0 HE2 PHE B 76 16.691 -2.794 -0.894 1.00 3.54 H new ATOM 0 HZ PHE B 76 14.586 -1.849 -1.749 1.00 2.78 H new ATOM 2911 N ARG B 77 19.230 -5.865 -3.675 1.00 3.59 N ATOM 2912 CA ARG B 77 19.316 -6.742 -2.520 1.00 3.88 C ATOM 2913 C ARG B 77 19.079 -5.959 -1.238 1.00 4.20 C ATOM 2914 O ARG B 77 19.824 -5.032 -0.912 1.00 4.62 O ATOM 2915 CB ARG B 77 20.659 -7.466 -2.476 1.00 4.60 C ATOM 2916 CG ARG B 77 20.598 -8.858 -3.086 1.00 4.59 C ATOM 2917 CD ARG B 77 21.954 -9.539 -3.082 1.00 5.39 C ATOM 2918 NE ARG B 77 22.851 -8.982 -4.091 1.00 5.55 N ATOM 2919 CZ ARG B 77 24.159 -9.222 -4.138 1.00 6.25 C ATOM 2920 NH1 ARG B 77 24.734 -9.978 -3.205 1.00 6.80 N ATOM 2921 NH2 ARG B 77 24.894 -8.700 -5.120 1.00 6.51 N ATOM 0 H ARG B 77 20.024 -5.236 -3.795 1.00 3.59 H new ATOM 0 HA ARG B 77 18.536 -7.498 -2.610 1.00 3.88 H new ATOM 0 HB2 ARG B 77 21.404 -6.874 -3.008 1.00 4.60 H new ATOM 0 HB3 ARG B 77 20.992 -7.542 -1.441 1.00 4.60 H new ATOM 0 HG2 ARG B 77 19.885 -9.467 -2.530 1.00 4.59 H new ATOM 0 HG3 ARG B 77 20.229 -8.790 -4.109 1.00 4.59 H new ATOM 0 HD2 ARG B 77 22.408 -9.435 -2.097 1.00 5.39 H new ATOM 0 HD3 ARG B 77 21.824 -10.606 -3.262 1.00 5.39 H new ATOM 0 HE ARG B 77 22.450 -8.372 -4.803 1.00 5.55 H new ATOM 0 HH11 ARG B 77 24.172 -10.375 -2.452 1.00 6.80 H new ATOM 0 HH12 ARG B 77 25.737 -10.161 -3.243 1.00 6.80 H new ATOM 0 HH21 ARG B 77 24.454 -8.118 -5.833 1.00 6.51 H new ATOM 0 HH22 ARG B 77 25.897 -8.882 -5.159 1.00 6.51 H new ATOM 2935 N PHE B 78 18.030 -6.340 -0.529 1.00 4.21 N ATOM 2936 CA PHE B 78 17.652 -5.690 0.716 1.00 4.81 C ATOM 2937 C PHE B 78 18.195 -6.473 1.904 1.00 5.56 C ATOM 2938 O PHE B 78 18.278 -7.702 1.858 1.00 5.79 O ATOM 2939 CB PHE B 78 16.125 -5.586 0.803 1.00 4.67 C ATOM 2940 CG PHE B 78 15.631 -4.519 1.738 1.00 4.78 C ATOM 2941 CD1 PHE B 78 15.674 -3.185 1.369 1.00 5.01 C ATOM 2942 CD2 PHE B 78 15.115 -4.849 2.981 1.00 4.79 C ATOM 2943 CE1 PHE B 78 15.215 -2.200 2.221 1.00 5.19 C ATOM 2944 CE2 PHE B 78 14.652 -3.869 3.837 1.00 5.05 C ATOM 2945 CZ PHE B 78 14.703 -2.542 3.457 1.00 5.22 C ATOM 0 H PHE B 78 17.416 -7.108 -0.799 1.00 4.21 H new ATOM 0 HA PHE B 78 18.078 -4.687 0.738 1.00 4.81 H new ATOM 0 HB2 PHE B 78 15.728 -5.392 -0.193 1.00 4.67 H new ATOM 0 HB3 PHE B 78 15.725 -6.548 1.124 1.00 4.67 H new ATOM 0 HD1 PHE B 78 16.072 -2.912 0.403 1.00 5.01 H new ATOM 0 HD2 PHE B 78 15.074 -5.885 3.284 1.00 4.79 H new ATOM 0 HE1 PHE B 78 15.256 -1.163 1.921 1.00 5.19 H new ATOM 0 HE2 PHE B 78 14.251 -4.140 4.802 1.00 5.05 H new ATOM 0 HZ PHE B 78 14.343 -1.774 4.125 1.00 5.22 H new ATOM 2955 N ARG B 79 18.567 -5.760 2.956 1.00 6.05 N ATOM 2956 CA ARG B 79 19.104 -6.386 4.156 1.00 6.84 C ATOM 2957 C ARG B 79 17.981 -6.813 5.087 1.00 6.93 C ATOM 2958 O ARG B 79 17.081 -6.029 5.388 1.00 7.29 O ATOM 2959 CB ARG B 79 20.033 -5.421 4.896 1.00 7.82 C ATOM 2960 CG ARG B 79 20.939 -6.102 5.909 1.00 8.65 C ATOM 2961 CD ARG B 79 21.710 -5.083 6.734 1.00 9.63 C ATOM 2962 NE ARG B 79 21.005 -4.728 7.965 1.00 10.06 N ATOM 2963 CZ ARG B 79 21.032 -3.514 8.518 1.00 10.62 C ATOM 2964 NH1 ARG B 79 21.693 -2.521 7.937 1.00 10.80 N ATOM 2965 NH2 ARG B 79 20.392 -3.290 9.658 1.00 11.08 N ATOM 0 H ARG B 79 18.507 -4.743 3.004 1.00 6.05 H new ATOM 0 HA ARG B 79 19.669 -7.266 3.849 1.00 6.84 H new ATOM 0 HB2 ARG B 79 20.649 -4.893 4.168 1.00 7.82 H new ATOM 0 HB3 ARG B 79 19.430 -4.670 5.407 1.00 7.82 H new ATOM 0 HG2 ARG B 79 20.342 -6.731 6.569 1.00 8.65 H new ATOM 0 HG3 ARG B 79 21.639 -6.758 5.391 1.00 8.65 H new ATOM 0 HD2 ARG B 79 22.692 -5.486 6.982 1.00 9.63 H new ATOM 0 HD3 ARG B 79 21.875 -4.185 6.139 1.00 9.63 H new ATOM 0 HE ARG B 79 20.459 -5.453 8.430 1.00 10.06 H new ATOM 0 HH11 ARG B 79 22.187 -2.682 7.059 1.00 10.80 H new ATOM 0 HH12 ARG B 79 21.707 -1.597 8.368 1.00 10.80 H new ATOM 0 HH21 ARG B 79 19.879 -4.046 10.112 1.00 11.08 H new ATOM 0 HH22 ARG B 79 20.413 -2.362 10.081 1.00 11.08 H new ATOM 2979 N SER B 80 18.029 -8.056 5.525 1.00 6.76 N ATOM 2980 CA SER B 80 17.034 -8.581 6.443 1.00 7.04 C ATOM 2981 C SER B 80 17.482 -8.339 7.880 1.00 7.47 C ATOM 2982 O SER B 80 18.537 -7.745 8.115 1.00 7.38 O ATOM 2983 CB SER B 80 16.848 -10.076 6.204 1.00 6.83 C ATOM 2984 OG SER B 80 18.057 -10.777 6.452 1.00 7.21 O ATOM 0 H SER B 80 18.751 -8.726 5.259 1.00 6.76 H new ATOM 0 HA SER B 80 16.085 -8.072 6.273 1.00 7.04 H new ATOM 0 HB2 SER B 80 16.060 -10.458 6.853 1.00 6.83 H new ATOM 0 HB3 SER B 80 16.526 -10.248 5.177 1.00 6.83 H new ATOM 0 HG SER B 80 17.871 -11.737 6.517 1.00 7.21 H new ATOM 2990 N LYS B 81 16.692 -8.806 8.840 1.00 8.04 N ATOM 2991 CA LYS B 81 17.038 -8.656 10.245 1.00 8.55 C ATOM 2992 C LYS B 81 18.252 -9.522 10.567 1.00 8.41 C ATOM 2993 O LYS B 81 18.995 -9.256 11.510 1.00 8.72 O ATOM 2994 CB LYS B 81 15.849 -9.039 11.135 1.00 9.27 C ATOM 2995 CG LYS B 81 16.057 -8.717 12.607 1.00 10.06 C ATOM 2996 CD LYS B 81 16.376 -7.247 12.821 1.00 10.72 C ATOM 2997 CE LYS B 81 16.576 -6.928 14.293 1.00 11.62 C ATOM 2998 NZ LYS B 81 16.921 -5.500 14.510 1.00 12.24 N ATOM 0 H LYS B 81 15.810 -9.290 8.670 1.00 8.04 H new ATOM 0 HA LYS B 81 17.284 -7.613 10.443 1.00 8.55 H new ATOM 0 HB2 LYS B 81 14.959 -8.519 10.781 1.00 9.27 H new ATOM 0 HB3 LYS B 81 15.657 -10.107 11.030 1.00 9.27 H new ATOM 0 HG2 LYS B 81 15.160 -8.980 13.167 1.00 10.06 H new ATOM 0 HG3 LYS B 81 16.870 -9.327 13.002 1.00 10.06 H new ATOM 0 HD2 LYS B 81 17.276 -6.985 12.265 1.00 10.72 H new ATOM 0 HD3 LYS B 81 15.566 -6.636 12.422 1.00 10.72 H new ATOM 0 HE2 LYS B 81 15.666 -7.169 14.843 1.00 11.62 H new ATOM 0 HE3 LYS B 81 17.369 -7.558 14.696 1.00 11.62 H new ATOM 0 HZ1 LYS B 81 16.566 -5.194 15.439 1.00 12.24 H new ATOM 0 HZ2 LYS B 81 17.954 -5.384 14.478 1.00 12.24 H new ATOM 0 HZ3 LYS B 81 16.484 -4.920 13.765 1.00 12.24 H new ATOM 3012 N ASN B 82 18.455 -10.553 9.753 1.00 8.00 N ATOM 3013 CA ASN B 82 19.587 -11.455 9.921 1.00 7.89 C ATOM 3014 C ASN B 82 20.814 -10.904 9.206 1.00 7.36 C ATOM 3015 O ASN B 82 21.853 -11.563 9.138 1.00 7.24 O ATOM 3016 CB ASN B 82 19.257 -12.845 9.372 1.00 7.92 C ATOM 3017 CG ASN B 82 18.410 -13.669 10.322 1.00 8.51 C ATOM 3018 OD1 ASN B 82 18.382 -13.421 11.528 1.00 9.25 O ATOM 3019 ND2 ASN B 82 17.735 -14.677 9.788 1.00 8.28 N ATOM 0 H ASN B 82 17.847 -10.784 8.967 1.00 8.00 H new ATOM 0 HA ASN B 82 19.798 -11.537 10.987 1.00 7.89 H new ATOM 0 HB2 ASN B 82 18.731 -12.740 8.423 1.00 7.92 H new ATOM 0 HB3 ASN B 82 20.185 -13.378 9.165 1.00 7.92 H new ATOM 0 HD21 ASN B 82 17.166 -15.281 10.381 1.00 8.28 H new ATOM 0 HD22 ASN B 82 17.785 -14.849 8.784 1.00 8.28 H new ATOM 3026 N GLN B 83 20.666 -9.698 8.663 1.00 7.14 N ATOM 3027 CA GLN B 83 21.732 -9.007 7.939 1.00 6.77 C ATOM 3028 C GLN B 83 22.077 -9.722 6.638 1.00 6.51 C ATOM 3029 O GLN B 83 23.209 -9.658 6.160 1.00 6.48 O ATOM 3030 CB GLN B 83 22.982 -8.833 8.812 1.00 7.42 C ATOM 3031 CG GLN B 83 23.077 -7.465 9.468 1.00 7.60 C ATOM 3032 CD GLN B 83 21.972 -7.221 10.476 1.00 7.62 C ATOM 3033 OE1 GLN B 83 20.864 -6.819 10.120 1.00 7.12 O ATOM 3034 NE2 GLN B 83 22.278 -7.435 11.743 1.00 8.30 N ATOM 0 H GLN B 83 19.796 -9.168 8.713 1.00 7.14 H new ATOM 0 HA GLN B 83 21.358 -8.015 7.687 1.00 6.77 H new ATOM 0 HB2 GLN B 83 22.984 -9.600 9.587 1.00 7.42 H new ATOM 0 HB3 GLN B 83 23.869 -8.996 8.200 1.00 7.42 H new ATOM 0 HG2 GLN B 83 24.043 -7.371 9.964 1.00 7.60 H new ATOM 0 HG3 GLN B 83 23.038 -6.694 8.698 1.00 7.60 H new ATOM 0 HE21 GLN B 83 23.209 -7.768 11.994 1.00 8.30 H new ATOM 0 HE22 GLN B 83 21.583 -7.267 12.471 1.00 8.30 H new ATOM 3043 N GLU B 84 21.094 -10.398 6.059 1.00 6.48 N ATOM 3044 CA GLU B 84 21.299 -11.099 4.803 1.00 6.41 C ATOM 3045 C GLU B 84 20.844 -10.209 3.654 1.00 6.26 C ATOM 3046 O GLU B 84 19.989 -9.341 3.839 1.00 6.30 O ATOM 3047 CB GLU B 84 20.544 -12.437 4.797 1.00 6.62 C ATOM 3048 CG GLU B 84 19.202 -12.392 4.079 1.00 6.46 C ATOM 3049 CD GLU B 84 18.238 -13.443 4.580 1.00 6.60 C ATOM 3050 OE1 GLU B 84 17.800 -13.342 5.744 1.00 6.78 O ATOM 3051 OE2 GLU B 84 17.915 -14.375 3.814 1.00 6.74 O ATOM 0 H GLU B 84 20.150 -10.475 6.439 1.00 6.48 H new ATOM 0 HA GLU B 84 22.359 -11.322 4.682 1.00 6.41 H new ATOM 0 HB2 GLU B 84 21.171 -13.193 4.325 1.00 6.62 H new ATOM 0 HB3 GLU B 84 20.382 -12.755 5.827 1.00 6.62 H new ATOM 0 HG2 GLU B 84 18.758 -11.405 4.209 1.00 6.46 H new ATOM 0 HG3 GLU B 84 19.362 -12.531 3.010 1.00 6.46 H new ATOM 3058 N TRP B 85 21.426 -10.403 2.484 1.00 6.19 N ATOM 3059 CA TRP B 85 21.070 -9.609 1.322 1.00 6.19 C ATOM 3060 C TRP B 85 20.200 -10.420 0.372 1.00 6.20 C ATOM 3061 O TRP B 85 20.708 -11.164 -0.469 1.00 6.38 O ATOM 3062 CB TRP B 85 22.329 -9.120 0.600 1.00 6.55 C ATOM 3063 CG TRP B 85 23.286 -8.388 1.493 1.00 6.95 C ATOM 3064 CD1 TRP B 85 24.469 -8.856 1.990 1.00 7.63 C ATOM 3065 CD2 TRP B 85 23.136 -7.059 1.999 1.00 6.78 C ATOM 3066 NE1 TRP B 85 25.066 -7.893 2.768 1.00 7.89 N ATOM 3067 CE2 TRP B 85 24.268 -6.782 2.789 1.00 7.40 C ATOM 3068 CE3 TRP B 85 22.158 -6.074 1.857 1.00 6.23 C ATOM 3069 CZ2 TRP B 85 24.446 -5.565 3.435 1.00 7.53 C ATOM 3070 CZ3 TRP B 85 22.337 -4.865 2.499 1.00 6.39 C ATOM 3071 CH2 TRP B 85 23.473 -4.619 3.278 1.00 7.05 C ATOM 0 H TRP B 85 22.147 -11.104 2.313 1.00 6.19 H new ATOM 0 HA TRP B 85 20.504 -8.741 1.659 1.00 6.19 H new ATOM 0 HB2 TRP B 85 22.840 -9.975 0.158 1.00 6.55 H new ATOM 0 HB3 TRP B 85 22.036 -8.464 -0.220 1.00 6.55 H new ATOM 0 HD1 TRP B 85 24.876 -9.838 1.800 1.00 7.63 H new ATOM 0 HE1 TRP B 85 25.959 -7.991 3.251 1.00 7.89 H new ATOM 0 HE3 TRP B 85 21.278 -6.254 1.257 1.00 6.23 H new ATOM 0 HZ2 TRP B 85 25.321 -5.374 4.039 1.00 7.53 H new ATOM 0 HZ3 TRP B 85 21.586 -4.095 2.398 1.00 6.39 H new ATOM 0 HH2 TRP B 85 23.583 -3.661 3.765 1.00 7.05 H new ATOM 3082 N LEU B 86 18.892 -10.284 0.517 1.00 6.05 N ATOM 3083 CA LEU B 86 17.954 -11.007 -0.334 1.00 6.08 C ATOM 3084 C LEU B 86 17.487 -10.123 -1.485 1.00 5.83 C ATOM 3085 O LEU B 86 17.401 -8.902 -1.347 1.00 5.96 O ATOM 3086 CB LEU B 86 16.758 -11.514 0.486 1.00 6.32 C ATOM 3087 CG LEU B 86 16.154 -10.507 1.465 1.00 6.76 C ATOM 3088 CD1 LEU B 86 15.061 -9.687 0.796 1.00 6.60 C ATOM 3089 CD2 LEU B 86 15.605 -11.221 2.689 1.00 6.97 C ATOM 0 H LEU B 86 18.454 -9.682 1.214 1.00 6.05 H new ATOM 0 HA LEU B 86 18.467 -11.872 -0.755 1.00 6.08 H new ATOM 0 HB2 LEU B 86 15.978 -11.836 -0.204 1.00 6.32 H new ATOM 0 HB3 LEU B 86 17.072 -12.395 1.046 1.00 6.32 H new ATOM 0 HG LEU B 86 16.944 -9.826 1.782 1.00 6.76 H new ATOM 0 HD11 LEU B 86 14.647 -8.978 1.513 1.00 6.60 H new ATOM 0 HD12 LEU B 86 15.480 -9.144 -0.051 1.00 6.60 H new ATOM 0 HD13 LEU B 86 14.271 -10.351 0.445 1.00 6.60 H new ATOM 0 HD21 LEU B 86 15.179 -10.490 3.376 1.00 6.97 H new ATOM 0 HD22 LEU B 86 14.832 -11.925 2.383 1.00 6.97 H new ATOM 0 HD23 LEU B 86 16.410 -11.760 3.187 1.00 6.97 H new ATOM 3101 N TRP B 87 17.193 -10.739 -2.621 1.00 5.64 N ATOM 3102 CA TRP B 87 16.744 -10.001 -3.793 1.00 5.53 C ATOM 3103 C TRP B 87 15.319 -9.507 -3.600 1.00 4.89 C ATOM 3104 O TRP B 87 14.401 -10.295 -3.367 1.00 4.93 O ATOM 3105 CB TRP B 87 16.848 -10.871 -5.046 1.00 6.09 C ATOM 3106 CG TRP B 87 18.265 -11.181 -5.416 1.00 6.88 C ATOM 3107 CD1 TRP B 87 19.026 -12.214 -4.954 1.00 7.60 C ATOM 3108 CD2 TRP B 87 19.093 -10.440 -6.317 1.00 7.12 C ATOM 3109 NE1 TRP B 87 20.279 -12.163 -5.514 1.00 8.31 N ATOM 3110 CE2 TRP B 87 20.346 -11.082 -6.357 1.00 8.03 C ATOM 3111 CE3 TRP B 87 18.898 -9.296 -7.096 1.00 6.72 C ATOM 3112 CZ2 TRP B 87 21.396 -10.616 -7.144 1.00 8.55 C ATOM 3113 CZ3 TRP B 87 19.940 -8.836 -7.876 1.00 7.21 C ATOM 3114 CH2 TRP B 87 21.175 -9.495 -7.896 1.00 8.12 C ATOM 0 H TRP B 87 17.257 -11.748 -2.756 1.00 5.64 H new ATOM 0 HA TRP B 87 17.392 -9.134 -3.923 1.00 5.53 H new ATOM 0 HB2 TRP B 87 16.307 -11.803 -4.883 1.00 6.09 H new ATOM 0 HB3 TRP B 87 16.362 -10.362 -5.878 1.00 6.09 H new ATOM 0 HD1 TRP B 87 18.692 -12.963 -4.251 1.00 7.60 H new ATOM 0 HE1 TRP B 87 21.037 -12.821 -5.333 1.00 8.31 H new ATOM 0 HE3 TRP B 87 17.949 -8.781 -7.088 1.00 6.72 H new ATOM 0 HZ2 TRP B 87 22.350 -11.121 -7.160 1.00 8.55 H new ATOM 0 HZ3 TRP B 87 19.800 -7.953 -8.481 1.00 7.21 H new ATOM 0 HH2 TRP B 87 21.970 -9.110 -8.518 1.00 8.12 H new ATOM 3125 N MET B 88 15.146 -8.202 -3.695 1.00 4.38 N ATOM 3126 CA MET B 88 13.846 -7.582 -3.512 1.00 3.86 C ATOM 3127 C MET B 88 13.447 -6.776 -4.744 1.00 4.20 C ATOM 3128 O MET B 88 14.239 -5.992 -5.271 1.00 4.46 O ATOM 3129 CB MET B 88 13.873 -6.661 -2.288 1.00 3.90 C ATOM 3130 CG MET B 88 12.502 -6.162 -1.866 1.00 3.23 C ATOM 3131 SD MET B 88 11.676 -7.285 -0.723 1.00 2.82 S ATOM 3132 CE MET B 88 12.605 -6.992 0.778 1.00 3.18 C ATOM 0 H MET B 88 15.898 -7.544 -3.900 1.00 4.38 H new ATOM 0 HA MET B 88 13.112 -8.373 -3.360 1.00 3.86 H new ATOM 0 HB2 MET B 88 14.328 -7.195 -1.453 1.00 3.90 H new ATOM 0 HB3 MET B 88 14.511 -5.804 -2.504 1.00 3.90 H new ATOM 0 HG2 MET B 88 12.604 -5.183 -1.397 1.00 3.23 H new ATOM 0 HG3 MET B 88 11.880 -6.028 -2.751 1.00 3.23 H new ATOM 0 HE1 MET B 88 12.768 -7.937 1.295 1.00 3.18 H new ATOM 0 HE2 MET B 88 13.567 -6.544 0.529 1.00 3.18 H new ATOM 0 HE3 MET B 88 12.047 -6.316 1.425 1.00 3.18 H new ATOM 3142 N ARG B 89 12.226 -6.989 -5.204 1.00 4.41 N ATOM 3143 CA ARG B 89 11.694 -6.269 -6.349 1.00 5.04 C ATOM 3144 C ARG B 89 10.790 -5.152 -5.841 1.00 5.07 C ATOM 3145 O ARG B 89 9.561 -5.234 -5.924 1.00 5.15 O ATOM 3146 CB ARG B 89 10.916 -7.212 -7.271 1.00 5.18 C ATOM 3147 CG ARG B 89 10.462 -6.568 -8.571 1.00 5.63 C ATOM 3148 CD ARG B 89 9.116 -7.113 -9.017 1.00 5.93 C ATOM 3149 NE ARG B 89 8.069 -6.869 -8.026 1.00 5.96 N ATOM 3150 CZ ARG B 89 6.775 -7.129 -8.227 1.00 6.42 C ATOM 3151 NH1 ARG B 89 6.362 -7.627 -9.386 1.00 6.87 N ATOM 3152 NH2 ARG B 89 5.897 -6.892 -7.264 1.00 6.59 N ATOM 0 H ARG B 89 11.578 -7.663 -4.797 1.00 4.41 H new ATOM 0 HA ARG B 89 12.515 -5.847 -6.928 1.00 5.04 H new ATOM 0 HB2 ARG B 89 11.541 -8.074 -7.503 1.00 5.18 H new ATOM 0 HB3 ARG B 89 10.042 -7.586 -6.738 1.00 5.18 H new ATOM 0 HG2 ARG B 89 10.394 -5.488 -8.440 1.00 5.63 H new ATOM 0 HG3 ARG B 89 11.205 -6.749 -9.348 1.00 5.63 H new ATOM 0 HD2 ARG B 89 8.834 -6.651 -9.963 1.00 5.93 H new ATOM 0 HD3 ARG B 89 9.201 -8.185 -9.198 1.00 5.93 H new ATOM 0 HE ARG B 89 8.344 -6.476 -7.126 1.00 5.96 H new ATOM 0 HH11 ARG B 89 7.035 -7.813 -10.130 1.00 6.87 H new ATOM 0 HH12 ARG B 89 5.372 -7.823 -9.533 1.00 6.87 H new ATOM 0 HH21 ARG B 89 6.210 -6.512 -6.371 1.00 6.59 H new ATOM 0 HH22 ARG B 89 4.908 -7.090 -7.416 1.00 6.59 H new ATOM 3166 N THR B 90 11.416 -4.130 -5.288 1.00 5.17 N ATOM 3167 CA THR B 90 10.708 -2.994 -4.731 1.00 5.29 C ATOM 3168 C THR B 90 9.990 -2.183 -5.805 1.00 5.66 C ATOM 3169 O THR B 90 10.614 -1.567 -6.668 1.00 6.18 O ATOM 3170 CB THR B 90 11.676 -2.086 -3.951 1.00 5.07 C ATOM 3171 OG1 THR B 90 12.182 -2.795 -2.814 1.00 5.02 O ATOM 3172 CG2 THR B 90 10.996 -0.806 -3.494 1.00 4.69 C ATOM 0 H THR B 90 12.431 -4.065 -5.213 1.00 5.17 H new ATOM 0 HA THR B 90 9.953 -3.389 -4.051 1.00 5.29 H new ATOM 0 HB THR B 90 12.494 -1.811 -4.616 1.00 5.07 H new ATOM 0 HG1 THR B 90 11.625 -2.599 -2.032 1.00 5.02 H new ATOM 0 HG21 THR B 90 11.710 -0.190 -2.947 1.00 4.69 H new ATOM 0 HG22 THR B 90 10.633 -0.256 -4.363 1.00 4.69 H new ATOM 0 HG23 THR B 90 10.156 -1.052 -2.844 1.00 4.69 H new ATOM 3180 N SER B 91 8.670 -2.208 -5.750 1.00 5.49 N ATOM 3181 CA SER B 91 7.849 -1.467 -6.685 1.00 5.86 C ATOM 3182 C SER B 91 7.478 -0.124 -6.062 1.00 5.46 C ATOM 3183 O SER B 91 6.549 -0.035 -5.266 1.00 4.98 O ATOM 3184 CB SER B 91 6.600 -2.280 -7.024 1.00 6.04 C ATOM 3185 OG SER B 91 6.918 -3.659 -7.145 1.00 6.30 O ATOM 0 H SER B 91 8.141 -2.740 -5.059 1.00 5.49 H new ATOM 0 HA SER B 91 8.397 -1.285 -7.609 1.00 5.86 H new ATOM 0 HB2 SER B 91 5.848 -2.142 -6.247 1.00 6.04 H new ATOM 0 HB3 SER B 91 6.166 -1.918 -7.956 1.00 6.04 H new ATOM 0 HG SER B 91 6.106 -4.164 -7.360 1.00 6.30 H new ATOM 3191 N SER B 92 8.230 0.908 -6.405 1.00 5.80 N ATOM 3192 CA SER B 92 8.002 2.235 -5.855 1.00 5.57 C ATOM 3193 C SER B 92 6.921 2.989 -6.623 1.00 5.56 C ATOM 3194 O SER B 92 7.067 3.257 -7.811 1.00 5.52 O ATOM 3195 CB SER B 92 9.312 3.022 -5.870 1.00 6.27 C ATOM 3196 OG SER B 92 10.349 2.280 -5.242 1.00 6.65 O ATOM 0 H SER B 92 9.007 0.853 -7.064 1.00 5.80 H new ATOM 0 HA SER B 92 7.651 2.124 -4.829 1.00 5.57 H new ATOM 0 HB2 SER B 92 9.593 3.251 -6.898 1.00 6.27 H new ATOM 0 HB3 SER B 92 9.176 3.974 -5.357 1.00 6.27 H new ATOM 0 HG SER B 92 10.286 2.387 -4.270 1.00 6.65 H new ATOM 3202 N PHE B 93 5.835 3.312 -5.935 1.00 5.71 N ATOM 3203 CA PHE B 93 4.726 4.044 -6.532 1.00 5.89 C ATOM 3204 C PHE B 93 4.659 5.459 -5.958 1.00 6.45 C ATOM 3205 O PHE B 93 4.551 5.638 -4.745 1.00 6.45 O ATOM 3206 CB PHE B 93 3.409 3.302 -6.269 1.00 5.69 C ATOM 3207 CG PHE B 93 2.210 3.926 -6.932 1.00 5.63 C ATOM 3208 CD1 PHE B 93 1.895 3.627 -8.248 1.00 5.74 C ATOM 3209 CD2 PHE B 93 1.397 4.807 -6.237 1.00 5.63 C ATOM 3210 CE1 PHE B 93 0.796 4.197 -8.860 1.00 5.78 C ATOM 3211 CE2 PHE B 93 0.294 5.379 -6.844 1.00 5.68 C ATOM 3212 CZ PHE B 93 -0.006 5.072 -8.157 1.00 5.73 C ATOM 0 H PHE B 93 5.698 3.076 -4.952 1.00 5.71 H new ATOM 0 HA PHE B 93 4.884 4.112 -7.608 1.00 5.89 H new ATOM 0 HB2 PHE B 93 3.508 2.273 -6.616 1.00 5.69 H new ATOM 0 HB3 PHE B 93 3.236 3.261 -5.194 1.00 5.69 H new ATOM 0 HD1 PHE B 93 2.517 2.939 -8.802 1.00 5.74 H new ATOM 0 HD2 PHE B 93 1.627 5.050 -5.210 1.00 5.63 H new ATOM 0 HE1 PHE B 93 0.565 3.958 -9.888 1.00 5.78 H new ATOM 0 HE2 PHE B 93 -0.332 6.065 -6.292 1.00 5.68 H new ATOM 0 HZ PHE B 93 -0.868 5.517 -8.633 1.00 5.73 H new ATOM 3222 N THR B 94 4.739 6.461 -6.821 1.00 7.02 N ATOM 3223 CA THR B 94 4.681 7.846 -6.379 1.00 7.65 C ATOM 3224 C THR B 94 3.236 8.334 -6.295 1.00 7.67 C ATOM 3225 O THR B 94 2.521 8.357 -7.295 1.00 8.38 O ATOM 3226 CB THR B 94 5.480 8.768 -7.319 1.00 8.72 C ATOM 3227 OG1 THR B 94 5.509 8.219 -8.647 1.00 8.98 O ATOM 3228 CG2 THR B 94 6.901 8.951 -6.809 1.00 9.17 C ATOM 0 H THR B 94 4.844 6.341 -7.829 1.00 7.02 H new ATOM 0 HA THR B 94 5.129 7.885 -5.386 1.00 7.65 H new ATOM 0 HB THR B 94 4.988 9.740 -7.344 1.00 8.72 H new ATOM 0 HG1 THR B 94 6.341 8.484 -9.092 1.00 8.98 H new ATOM 0 HG21 THR B 94 7.449 9.605 -7.487 1.00 9.17 H new ATOM 0 HG22 THR B 94 6.876 9.397 -5.815 1.00 9.17 H new ATOM 0 HG23 THR B 94 7.397 7.982 -6.760 1.00 9.17 H new ATOM 3236 N PHE B 95 2.807 8.710 -5.100 1.00 7.03 N ATOM 3237 CA PHE B 95 1.447 9.189 -4.902 1.00 7.23 C ATOM 3238 C PHE B 95 1.336 10.672 -5.246 1.00 7.66 C ATOM 3239 O PHE B 95 2.141 11.486 -4.794 1.00 7.94 O ATOM 3240 CB PHE B 95 1.003 8.949 -3.457 1.00 6.55 C ATOM 3241 CG PHE B 95 -0.268 8.155 -3.338 1.00 6.95 C ATOM 3242 CD1 PHE B 95 -0.947 7.728 -4.468 1.00 7.38 C ATOM 3243 CD2 PHE B 95 -0.781 7.832 -2.094 1.00 6.97 C ATOM 3244 CE1 PHE B 95 -2.115 6.998 -4.360 1.00 7.77 C ATOM 3245 CE2 PHE B 95 -1.948 7.102 -1.977 1.00 7.38 C ATOM 3246 CZ PHE B 95 -2.615 6.684 -3.110 1.00 8.33 C ATOM 0 H PHE B 95 3.378 8.693 -4.255 1.00 7.03 H new ATOM 0 HA PHE B 95 0.791 8.632 -5.571 1.00 7.23 H new ATOM 0 HB2 PHE B 95 1.798 8.427 -2.924 1.00 6.55 H new ATOM 0 HB3 PHE B 95 0.867 9.911 -2.964 1.00 6.55 H new ATOM 0 HD1 PHE B 95 -0.558 7.969 -5.446 1.00 7.38 H new ATOM 0 HD2 PHE B 95 -0.262 8.155 -1.203 1.00 6.97 H new ATOM 0 HE1 PHE B 95 -2.636 6.674 -5.249 1.00 7.77 H new ATOM 0 HE2 PHE B 95 -2.338 6.859 -1.000 1.00 7.38 H new ATOM 0 HZ PHE B 95 -3.527 6.112 -3.021 1.00 8.33 H new ATOM 3256 N GLN B 96 0.334 11.009 -6.050 1.00 7.77 N ATOM 3257 CA GLN B 96 0.106 12.387 -6.465 1.00 8.24 C ATOM 3258 C GLN B 96 -1.076 12.991 -5.721 1.00 8.05 C ATOM 3259 O GLN B 96 -2.225 12.603 -5.943 1.00 8.10 O ATOM 3260 CB GLN B 96 -0.161 12.461 -7.969 1.00 8.94 C ATOM 3261 CG GLN B 96 1.093 12.483 -8.819 1.00 9.25 C ATOM 3262 CD GLN B 96 0.777 12.520 -10.300 1.00 9.90 C ATOM 3263 OE1 GLN B 96 0.623 11.481 -10.936 1.00 9.95 O ATOM 3264 NE2 GLN B 96 0.658 13.712 -10.859 1.00 10.53 N ATOM 0 H GLN B 96 -0.337 10.341 -6.429 1.00 7.77 H new ATOM 0 HA GLN B 96 1.006 12.954 -6.227 1.00 8.24 H new ATOM 0 HB2 GLN B 96 -0.770 11.606 -8.262 1.00 8.94 H new ATOM 0 HB3 GLN B 96 -0.746 13.356 -8.180 1.00 8.94 H new ATOM 0 HG2 GLN B 96 1.694 13.353 -8.555 1.00 9.25 H new ATOM 0 HG3 GLN B 96 1.695 11.601 -8.599 1.00 9.25 H new ATOM 0 HE21 GLN B 96 0.793 14.554 -10.299 1.00 10.53 H new ATOM 0 HE22 GLN B 96 0.431 13.790 -11.850 1.00 10.53 H new ATOM 3273 N ASN B 97 -0.793 13.942 -4.848 1.00 7.96 N ATOM 3274 CA ASN B 97 -1.832 14.614 -4.081 1.00 7.92 C ATOM 3275 C ASN B 97 -2.588 15.585 -4.987 1.00 8.14 C ATOM 3276 O ASN B 97 -1.980 16.410 -5.668 1.00 8.43 O ATOM 3277 CB ASN B 97 -1.210 15.360 -2.897 1.00 7.98 C ATOM 3278 CG ASN B 97 -2.245 15.890 -1.920 1.00 8.09 C ATOM 3279 OD1 ASN B 97 -3.301 15.291 -1.719 1.00 8.16 O ATOM 3280 ND2 ASN B 97 -1.952 17.029 -1.313 1.00 8.31 N ATOM 0 H ASN B 97 0.153 14.269 -4.651 1.00 7.96 H new ATOM 0 HA ASN B 97 -2.532 13.874 -3.693 1.00 7.92 H new ATOM 0 HB2 ASN B 97 -0.530 14.691 -2.370 1.00 7.98 H new ATOM 0 HB3 ASN B 97 -0.613 16.191 -3.272 1.00 7.98 H new ATOM 0 HD21 ASN B 97 -2.612 17.439 -0.653 1.00 8.31 H new ATOM 0 HD22 ASN B 97 -1.066 17.496 -1.506 1.00 8.31 H new ATOM 3287 N PRO B 98 -3.924 15.489 -5.031 1.00 8.11 N ATOM 3288 CA PRO B 98 -4.755 16.360 -5.872 1.00 8.36 C ATOM 3289 C PRO B 98 -4.900 17.790 -5.333 1.00 8.56 C ATOM 3290 O PRO B 98 -5.826 18.511 -5.711 1.00 9.16 O ATOM 3291 CB PRO B 98 -6.108 15.651 -5.872 1.00 8.39 C ATOM 3292 CG PRO B 98 -6.147 14.907 -4.584 1.00 8.29 C ATOM 3293 CD PRO B 98 -4.731 14.500 -4.291 1.00 7.99 C ATOM 0 HA PRO B 98 -4.312 16.494 -6.859 1.00 8.36 H new ATOM 0 HB2 PRO B 98 -6.929 16.365 -5.941 1.00 8.39 H new ATOM 0 HB3 PRO B 98 -6.201 14.975 -6.722 1.00 8.39 H new ATOM 0 HG2 PRO B 98 -6.545 15.533 -3.785 1.00 8.29 H new ATOM 0 HG3 PRO B 98 -6.795 14.034 -4.658 1.00 8.29 H new ATOM 0 HD2 PRO B 98 -4.519 14.529 -3.222 1.00 7.99 H new ATOM 0 HD3 PRO B 98 -4.528 13.484 -4.629 1.00 7.99 H new ATOM 3301 N TYR B 99 -3.989 18.202 -4.462 1.00 8.20 N ATOM 3302 CA TYR B 99 -4.039 19.547 -3.900 1.00 8.49 C ATOM 3303 C TYR B 99 -3.211 20.501 -4.751 1.00 8.25 C ATOM 3304 O TYR B 99 -3.712 21.515 -5.233 1.00 8.70 O ATOM 3305 CB TYR B 99 -3.535 19.554 -2.456 1.00 8.61 C ATOM 3306 CG TYR B 99 -4.205 20.593 -1.582 1.00 9.49 C ATOM 3307 CD1 TYR B 99 -5.539 20.464 -1.222 1.00 9.80 C ATOM 3308 CD2 TYR B 99 -3.505 21.702 -1.118 1.00 9.79 C ATOM 3309 CE1 TYR B 99 -6.159 21.404 -0.426 1.00 10.36 C ATOM 3310 CE2 TYR B 99 -4.120 22.647 -0.317 1.00 10.35 C ATOM 3311 CZ TYR B 99 -5.447 22.493 0.025 1.00 10.60 C ATOM 3312 OH TYR B 99 -6.066 23.428 0.822 1.00 11.34 O ATOM 0 H TYR B 99 -3.212 17.630 -4.131 1.00 8.20 H new ATOM 0 HA TYR B 99 -5.077 19.880 -3.900 1.00 8.49 H new ATOM 0 HB2 TYR B 99 -3.695 18.568 -2.020 1.00 8.61 H new ATOM 0 HB3 TYR B 99 -2.460 19.732 -2.457 1.00 8.61 H new ATOM 0 HD1 TYR B 99 -6.102 19.611 -1.572 1.00 9.80 H new ATOM 0 HD2 TYR B 99 -2.467 21.827 -1.387 1.00 9.79 H new ATOM 0 HE1 TYR B 99 -7.198 21.287 -0.157 1.00 10.36 H new ATOM 0 HE2 TYR B 99 -3.564 23.501 0.039 1.00 10.35 H new ATOM 0 HH TYR B 99 -5.427 24.133 1.056 1.00 11.34 H new ATOM 3322 N SER B 100 -1.943 20.173 -4.923 1.00 7.67 N ATOM 3323 CA SER B 100 -1.041 20.980 -5.728 1.00 7.55 C ATOM 3324 C SER B 100 -0.204 20.072 -6.620 1.00 7.32 C ATOM 3325 O SER B 100 0.830 20.483 -7.148 1.00 7.75 O ATOM 3326 CB SER B 100 -0.125 21.810 -4.827 1.00 7.45 C ATOM 3327 OG SER B 100 -0.810 22.282 -3.676 1.00 7.36 O ATOM 0 H SER B 100 -1.511 19.346 -4.512 1.00 7.67 H new ATOM 0 HA SER B 100 -1.628 21.657 -6.348 1.00 7.55 H new ATOM 0 HB2 SER B 100 0.729 21.206 -4.520 1.00 7.45 H new ATOM 0 HB3 SER B 100 0.269 22.657 -5.389 1.00 7.45 H new ATOM 0 HG SER B 100 -0.195 22.807 -3.122 1.00 7.36 H new ATOM 3333 N ASP B 101 -0.665 18.830 -6.758 1.00 6.80 N ATOM 3334 CA ASP B 101 0.008 17.811 -7.567 1.00 6.71 C ATOM 3335 C ASP B 101 1.382 17.489 -6.986 1.00 6.51 C ATOM 3336 O ASP B 101 2.359 17.307 -7.713 1.00 6.46 O ATOM 3337 CB ASP B 101 0.129 18.254 -9.030 1.00 7.30 C ATOM 3338 CG ASP B 101 0.442 17.099 -9.960 1.00 8.84 C ATOM 3339 OD1 ASP B 101 -0.282 16.085 -9.917 1.00 8.97 O ATOM 3340 OD2 ASP B 101 1.416 17.198 -10.735 1.00 9.08 O ATOM 0 H ASP B 101 -1.520 18.499 -6.310 1.00 6.80 H new ATOM 0 HA ASP B 101 -0.600 16.907 -7.542 1.00 6.71 H new ATOM 0 HB2 ASP B 101 -0.803 18.726 -9.342 1.00 7.30 H new ATOM 0 HB3 ASP B 101 0.912 19.008 -9.115 1.00 7.30 H new ATOM 3345 N GLU B 102 1.445 17.419 -5.667 1.00 6.62 N ATOM 3346 CA GLU B 102 2.690 17.119 -4.975 1.00 6.76 C ATOM 3347 C GLU B 102 2.765 15.639 -4.632 1.00 6.49 C ATOM 3348 O GLU B 102 1.744 14.952 -4.584 1.00 6.08 O ATOM 3349 CB GLU B 102 2.817 17.941 -3.685 1.00 6.92 C ATOM 3350 CG GLU B 102 1.797 19.065 -3.549 1.00 7.00 C ATOM 3351 CD GLU B 102 0.458 18.593 -3.009 1.00 7.52 C ATOM 3352 OE1 GLU B 102 0.291 18.550 -1.773 1.00 7.71 O ATOM 3353 OE2 GLU B 102 -0.440 18.287 -3.818 1.00 7.71 O ATOM 0 H GLU B 102 0.646 17.566 -5.051 1.00 6.62 H new ATOM 0 HA GLU B 102 3.510 17.381 -5.644 1.00 6.76 H new ATOM 0 HB2 GLU B 102 2.717 17.271 -2.831 1.00 6.92 H new ATOM 0 HB3 GLU B 102 3.819 18.369 -3.639 1.00 6.92 H new ATOM 0 HG2 GLU B 102 2.198 19.833 -2.888 1.00 7.00 H new ATOM 0 HG3 GLU B 102 1.646 19.530 -4.523 1.00 7.00 H new ATOM 3360 N ILE B 103 3.973 15.151 -4.407 1.00 6.89 N ATOM 3361 CA ILE B 103 4.173 13.756 -4.051 1.00 6.86 C ATOM 3362 C ILE B 103 4.256 13.619 -2.534 1.00 6.92 C ATOM 3363 O ILE B 103 5.258 13.992 -1.921 1.00 6.97 O ATOM 3364 CB ILE B 103 5.448 13.177 -4.703 1.00 7.13 C ATOM 3365 CG1 ILE B 103 5.389 13.352 -6.224 1.00 7.47 C ATOM 3366 CG2 ILE B 103 5.612 11.706 -4.338 1.00 6.71 C ATOM 3367 CD1 ILE B 103 6.689 13.026 -6.927 1.00 8.04 C ATOM 0 H ILE B 103 4.831 15.700 -4.464 1.00 6.89 H new ATOM 0 HA ILE B 103 3.322 13.188 -4.427 1.00 6.86 H new ATOM 0 HB ILE B 103 6.313 13.721 -4.324 1.00 7.13 H new ATOM 0 HG12 ILE B 103 4.601 12.714 -6.624 1.00 7.47 H new ATOM 0 HG13 ILE B 103 5.112 14.381 -6.452 1.00 7.47 H new ATOM 0 HG21 ILE B 103 6.515 11.314 -4.806 1.00 6.71 H new ATOM 0 HG22 ILE B 103 5.691 11.606 -3.255 1.00 6.71 H new ATOM 0 HG23 ILE B 103 4.747 11.145 -4.692 1.00 6.71 H new ATOM 0 HD11 ILE B 103 6.569 13.173 -8.000 1.00 8.04 H new ATOM 0 HD12 ILE B 103 7.477 13.681 -6.556 1.00 8.04 H new ATOM 0 HD13 ILE B 103 6.958 11.988 -6.731 1.00 8.04 H new ATOM 3379 N GLU B 104 3.183 13.109 -1.939 1.00 7.07 N ATOM 3380 CA GLU B 104 3.106 12.928 -0.491 1.00 7.39 C ATOM 3381 C GLU B 104 4.197 11.985 -0.001 1.00 7.24 C ATOM 3382 O GLU B 104 4.949 12.305 0.922 1.00 7.56 O ATOM 3383 CB GLU B 104 1.744 12.357 -0.105 1.00 7.11 C ATOM 3384 CG GLU B 104 0.571 13.040 -0.782 1.00 7.06 C ATOM 3385 CD GLU B 104 -0.717 12.270 -0.596 1.00 8.47 C ATOM 3386 OE1 GLU B 104 -1.425 12.520 0.402 1.00 8.35 O ATOM 3387 OE2 GLU B 104 -1.021 11.403 -1.438 1.00 8.81 O ATOM 0 H GLU B 104 2.347 12.811 -2.441 1.00 7.07 H new ATOM 0 HA GLU B 104 3.244 13.903 -0.024 1.00 7.39 H new ATOM 0 HB2 GLU B 104 1.724 11.295 -0.352 1.00 7.11 H new ATOM 0 HB3 GLU B 104 1.622 12.436 0.975 1.00 7.11 H new ATOM 0 HG2 GLU B 104 0.454 14.045 -0.377 1.00 7.06 H new ATOM 0 HG3 GLU B 104 0.779 13.147 -1.847 1.00 7.06 H new ATOM 3394 N TYR B 105 4.268 10.817 -0.625 1.00 6.81 N ATOM 3395 CA TYR B 105 5.251 9.811 -0.268 1.00 6.65 C ATOM 3396 C TYR B 105 5.353 8.769 -1.370 1.00 5.83 C ATOM 3397 O TYR B 105 4.551 8.765 -2.309 1.00 5.31 O ATOM 3398 CB TYR B 105 4.891 9.137 1.067 1.00 7.23 C ATOM 3399 CG TYR B 105 3.471 8.609 1.143 1.00 7.06 C ATOM 3400 CD1 TYR B 105 3.152 7.343 0.668 1.00 6.65 C ATOM 3401 CD2 TYR B 105 2.450 9.375 1.695 1.00 7.40 C ATOM 3402 CE1 TYR B 105 1.860 6.858 0.741 1.00 6.52 C ATOM 3403 CE2 TYR B 105 1.155 8.897 1.770 1.00 7.32 C ATOM 3404 CZ TYR B 105 0.865 7.639 1.291 1.00 6.94 C ATOM 3405 OH TYR B 105 -0.425 7.160 1.366 1.00 6.84 O ATOM 0 H TYR B 105 3.649 10.544 -1.388 1.00 6.81 H new ATOM 0 HA TYR B 105 6.216 10.303 -0.150 1.00 6.65 H new ATOM 0 HB2 TYR B 105 5.582 8.312 1.241 1.00 7.23 H new ATOM 0 HB3 TYR B 105 5.042 9.854 1.874 1.00 7.23 H new ATOM 0 HD1 TYR B 105 3.927 6.728 0.235 1.00 6.65 H new ATOM 0 HD2 TYR B 105 2.673 10.362 2.072 1.00 7.40 H new ATOM 0 HE1 TYR B 105 1.630 5.871 0.369 1.00 6.52 H new ATOM 0 HE2 TYR B 105 0.375 9.507 2.202 1.00 7.32 H new ATOM 0 HH TYR B 105 -0.839 7.194 0.478 1.00 6.84 H new ATOM 3415 N ILE B 106 6.339 7.899 -1.253 1.00 5.84 N ATOM 3416 CA ILE B 106 6.551 6.847 -2.228 1.00 5.13 C ATOM 3417 C ILE B 106 6.173 5.498 -1.628 1.00 4.98 C ATOM 3418 O ILE B 106 6.739 5.076 -0.617 1.00 5.41 O ATOM 3419 CB ILE B 106 8.016 6.801 -2.713 1.00 5.45 C ATOM 3420 CG1 ILE B 106 8.484 8.199 -3.136 1.00 6.30 C ATOM 3421 CG2 ILE B 106 8.156 5.819 -3.868 1.00 4.84 C ATOM 3422 CD1 ILE B 106 9.951 8.266 -3.505 1.00 6.78 C ATOM 0 H ILE B 106 7.011 7.901 -0.485 1.00 5.84 H new ATOM 0 HA ILE B 106 5.917 7.064 -3.088 1.00 5.13 H new ATOM 0 HB ILE B 106 8.646 6.463 -1.890 1.00 5.45 H new ATOM 0 HG12 ILE B 106 7.889 8.529 -3.988 1.00 6.30 H new ATOM 0 HG13 ILE B 106 8.291 8.898 -2.322 1.00 6.30 H new ATOM 0 HG21 ILE B 106 9.193 5.795 -4.202 1.00 4.84 H new ATOM 0 HG22 ILE B 106 7.858 4.824 -3.538 1.00 4.84 H new ATOM 0 HG23 ILE B 106 7.517 6.134 -4.693 1.00 4.84 H new ATOM 0 HD11 ILE B 106 10.208 9.285 -3.793 1.00 6.78 H new ATOM 0 HD12 ILE B 106 10.556 7.968 -2.648 1.00 6.78 H new ATOM 0 HD13 ILE B 106 10.147 7.593 -4.340 1.00 6.78 H new ATOM 3434 N ILE B 107 5.202 4.839 -2.244 1.00 4.66 N ATOM 3435 CA ILE B 107 4.738 3.537 -1.791 1.00 4.86 C ATOM 3436 C ILE B 107 5.600 2.448 -2.412 1.00 4.29 C ATOM 3437 O ILE B 107 5.399 2.069 -3.561 1.00 3.98 O ATOM 3438 CB ILE B 107 3.261 3.304 -2.179 1.00 5.29 C ATOM 3439 CG1 ILE B 107 2.399 4.483 -1.720 1.00 6.01 C ATOM 3440 CG2 ILE B 107 2.748 2.002 -1.581 1.00 5.80 C ATOM 3441 CD1 ILE B 107 1.039 4.533 -2.382 1.00 6.31 C ATOM 0 H ILE B 107 4.716 5.191 -3.069 1.00 4.66 H new ATOM 0 HA ILE B 107 4.817 3.505 -0.704 1.00 4.86 H new ATOM 0 HB ILE B 107 3.197 3.229 -3.264 1.00 5.29 H new ATOM 0 HG12 ILE B 107 2.266 4.426 -0.640 1.00 6.01 H new ATOM 0 HG13 ILE B 107 2.929 5.412 -1.927 1.00 6.01 H new ATOM 0 HG21 ILE B 107 1.706 1.856 -1.866 1.00 5.80 H new ATOM 0 HG22 ILE B 107 3.346 1.170 -1.954 1.00 5.80 H new ATOM 0 HG23 ILE B 107 2.824 2.046 -0.495 1.00 5.80 H new ATOM 0 HD11 ILE B 107 0.484 5.394 -2.009 1.00 6.31 H new ATOM 0 HD12 ILE B 107 1.163 4.621 -3.461 1.00 6.31 H new ATOM 0 HD13 ILE B 107 0.489 3.620 -2.153 1.00 6.31 H new ATOM 3453 N CYS B 108 6.575 1.970 -1.662 1.00 4.36 N ATOM 3454 CA CYS B 108 7.471 0.942 -2.161 1.00 4.09 C ATOM 3455 C CYS B 108 6.991 -0.460 -1.808 1.00 4.49 C ATOM 3456 O CYS B 108 7.092 -0.893 -0.658 1.00 5.31 O ATOM 3457 CB CYS B 108 8.880 1.164 -1.614 1.00 3.74 C ATOM 3458 SG CYS B 108 9.709 2.615 -2.302 1.00 3.04 S ATOM 0 H CYS B 108 6.767 2.275 -0.708 1.00 4.36 H new ATOM 0 HA CYS B 108 7.482 1.020 -3.248 1.00 4.09 H new ATOM 0 HB2 CYS B 108 8.827 1.267 -0.530 1.00 3.74 H new ATOM 0 HB3 CYS B 108 9.483 0.280 -1.821 1.00 3.74 H new ATOM 0 HG CYS B 108 10.202 3.332 -1.336 1.00 3.04 H new ATOM 3464 N THR B 109 6.446 -1.150 -2.796 1.00 4.08 N ATOM 3465 CA THR B 109 5.988 -2.514 -2.618 1.00 4.65 C ATOM 3466 C THR B 109 7.200 -3.443 -2.649 1.00 5.11 C ATOM 3467 O THR B 109 7.703 -3.793 -3.717 1.00 5.24 O ATOM 3468 CB THR B 109 4.988 -2.908 -3.723 1.00 5.03 C ATOM 3469 OG1 THR B 109 4.096 -1.813 -3.983 1.00 4.85 O ATOM 3470 CG2 THR B 109 4.185 -4.137 -3.322 1.00 5.48 C ATOM 0 H THR B 109 6.310 -0.782 -3.737 1.00 4.08 H new ATOM 0 HA THR B 109 5.475 -2.600 -1.660 1.00 4.65 H new ATOM 0 HB THR B 109 5.552 -3.146 -4.625 1.00 5.03 H new ATOM 0 HG1 THR B 109 3.463 -2.067 -4.687 1.00 4.85 H new ATOM 0 HG21 THR B 109 3.488 -4.392 -4.120 1.00 5.48 H new ATOM 0 HG22 THR B 109 4.862 -4.974 -3.150 1.00 5.48 H new ATOM 0 HG23 THR B 109 3.629 -3.926 -2.408 1.00 5.48 H new ATOM 3478 N ASN B 110 7.684 -3.804 -1.473 1.00 5.49 N ATOM 3479 CA ASN B 110 8.860 -4.653 -1.356 1.00 6.04 C ATOM 3480 C ASN B 110 8.518 -6.120 -1.553 1.00 6.71 C ATOM 3481 O ASN B 110 8.207 -6.824 -0.597 1.00 6.90 O ATOM 3482 CB ASN B 110 9.523 -4.454 0.008 1.00 6.01 C ATOM 3483 CG ASN B 110 10.537 -3.324 0.016 1.00 6.09 C ATOM 3484 OD1 ASN B 110 10.431 -2.367 -0.749 1.00 6.05 O ATOM 3485 ND2 ASN B 110 11.529 -3.424 0.886 1.00 6.27 N ATOM 0 H ASN B 110 7.279 -3.521 -0.581 1.00 5.49 H new ATOM 0 HA ASN B 110 9.554 -4.361 -2.144 1.00 6.04 H new ATOM 0 HB2 ASN B 110 8.754 -4.250 0.753 1.00 6.01 H new ATOM 0 HB3 ASN B 110 10.016 -5.380 0.304 1.00 6.01 H new ATOM 0 HD21 ASN B 110 12.238 -2.692 0.937 1.00 6.27 H new ATOM 0 HD22 ASN B 110 11.585 -4.233 1.505 1.00 6.27 H new ATOM 3492 N THR B 111 8.563 -6.568 -2.796 1.00 7.16 N ATOM 3493 CA THR B 111 8.278 -7.954 -3.118 1.00 7.90 C ATOM 3494 C THR B 111 9.571 -8.764 -3.186 1.00 8.33 C ATOM 3495 O THR B 111 10.395 -8.553 -4.076 1.00 8.01 O ATOM 3496 CB THR B 111 7.544 -8.067 -4.465 1.00 8.30 C ATOM 3497 OG1 THR B 111 6.565 -7.021 -4.579 1.00 8.18 O ATOM 3498 CG2 THR B 111 6.868 -9.424 -4.602 1.00 8.61 C ATOM 0 H THR B 111 8.796 -5.988 -3.602 1.00 7.16 H new ATOM 0 HA THR B 111 7.639 -8.351 -2.329 1.00 7.90 H new ATOM 0 HB THR B 111 8.278 -7.965 -5.265 1.00 8.30 H new ATOM 0 HG1 THR B 111 5.688 -7.363 -4.308 1.00 8.18 H new ATOM 0 HG21 THR B 111 6.356 -9.480 -5.562 1.00 8.61 H new ATOM 0 HG22 THR B 111 7.619 -10.212 -4.545 1.00 8.61 H new ATOM 0 HG23 THR B 111 6.145 -9.553 -3.797 1.00 8.61 H new ATOM 3506 N ASN B 112 9.752 -9.683 -2.249 1.00 9.14 N ATOM 3507 CA ASN B 112 10.955 -10.506 -2.221 1.00 9.70 C ATOM 3508 C ASN B 112 10.957 -11.500 -3.376 1.00 10.21 C ATOM 3509 O ASN B 112 9.962 -12.184 -3.629 1.00 10.32 O ATOM 3510 CB ASN B 112 11.086 -11.249 -0.886 1.00 10.52 C ATOM 3511 CG ASN B 112 11.988 -12.473 -0.978 1.00 11.13 C ATOM 3512 OD1 ASN B 112 11.509 -13.602 -1.101 1.00 11.84 O ATOM 3513 ND2 ASN B 112 13.295 -12.257 -0.926 1.00 10.90 N ATOM 0 H ASN B 112 9.086 -9.878 -1.501 1.00 9.14 H new ATOM 0 HA ASN B 112 11.812 -9.842 -2.329 1.00 9.70 H new ATOM 0 HB2 ASN B 112 11.482 -10.567 -0.133 1.00 10.52 H new ATOM 0 HB3 ASN B 112 10.097 -11.557 -0.548 1.00 10.52 H new ATOM 0 HD21 ASN B 112 13.944 -13.041 -0.988 1.00 10.90 H new ATOM 0 HD22 ASN B 112 13.651 -11.307 -0.824 1.00 10.90 H new ATOM 3520 N VAL B 113 12.077 -11.559 -4.077 1.00 10.57 N ATOM 3521 CA VAL B 113 12.235 -12.461 -5.205 1.00 11.22 C ATOM 3522 C VAL B 113 13.113 -13.641 -4.809 1.00 11.42 C ATOM 3523 O VAL B 113 12.710 -14.800 -4.913 1.00 11.44 O ATOM 3524 CB VAL B 113 12.867 -11.736 -6.415 1.00 11.03 C ATOM 3525 CG1 VAL B 113 13.104 -12.694 -7.571 1.00 11.77 C ATOM 3526 CG2 VAL B 113 11.991 -10.576 -6.861 1.00 10.85 C ATOM 0 H VAL B 113 12.898 -10.986 -3.882 1.00 10.57 H new ATOM 0 HA VAL B 113 11.245 -12.817 -5.491 1.00 11.22 H new ATOM 0 HB VAL B 113 13.834 -11.344 -6.099 1.00 11.03 H new ATOM 0 HG11 VAL B 113 13.549 -12.153 -8.406 1.00 11.77 H new ATOM 0 HG12 VAL B 113 13.778 -13.489 -7.252 1.00 11.77 H new ATOM 0 HG13 VAL B 113 12.154 -13.128 -7.884 1.00 11.77 H new ATOM 0 HG21 VAL B 113 12.453 -10.078 -7.714 1.00 10.85 H new ATOM 0 HG22 VAL B 113 11.009 -10.951 -7.148 1.00 10.85 H new ATOM 0 HG23 VAL B 113 11.883 -9.866 -6.041 1.00 10.85 H new ATOM 3536 N LYS B 114 14.310 -13.331 -4.332 1.00 11.62 N ATOM 3537 CA LYS B 114 15.259 -14.347 -3.911 1.00 11.92 C ATOM 3538 C LYS B 114 15.861 -13.969 -2.567 1.00 12.21 C ATOM 3539 O LYS B 114 15.193 -14.195 -1.537 1.00 12.68 O ATOM 3540 CB LYS B 114 16.362 -14.516 -4.961 1.00 12.06 C ATOM 3541 CG LYS B 114 16.009 -15.484 -6.078 1.00 11.92 C ATOM 3542 CD LYS B 114 16.849 -15.236 -7.320 1.00 12.03 C ATOM 3543 CE LYS B 114 18.335 -15.372 -7.034 1.00 11.97 C ATOM 3544 NZ LYS B 114 19.148 -15.138 -8.254 1.00 12.15 N ATOM 0 H LYS B 114 14.648 -12.374 -4.227 1.00 11.62 H new ATOM 0 HA LYS B 114 14.735 -15.297 -3.808 1.00 11.92 H new ATOM 0 HB2 LYS B 114 16.588 -13.542 -5.396 1.00 12.06 H new ATOM 0 HB3 LYS B 114 17.270 -14.863 -4.467 1.00 12.06 H new ATOM 0 HG2 LYS B 114 16.160 -16.507 -5.734 1.00 11.92 H new ATOM 0 HG3 LYS B 114 14.952 -15.384 -6.327 1.00 11.92 H new ATOM 0 HD2 LYS B 114 16.563 -15.943 -8.099 1.00 12.03 H new ATOM 0 HD3 LYS B 114 16.643 -14.237 -7.704 1.00 12.03 H new ATOM 0 HE2 LYS B 114 18.624 -14.660 -6.261 1.00 11.97 H new ATOM 0 HE3 LYS B 114 18.542 -16.368 -6.643 1.00 11.97 H new ATOM 0 HZ1 LYS B 114 20.157 -15.239 -8.023 1.00 12.15 H new ATOM 0 HZ2 LYS B 114 18.889 -15.833 -8.983 1.00 12.15 H new ATOM 0 HZ3 LYS B 114 18.969 -14.178 -8.612 1.00 12.15 H new TER 3558 LYS B 114