USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 997 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: A 104 THR OG1 : rot -136:sc= 0.288 USER MOD Set 1.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot -8:sc= 0.444 USER MOD Set 2.2: A 98 MET CE :methyl 134:sc= -0.125 (180deg=-0.454) USER MOD Set 3.1: A 1 MET N :NH3+ -165:sc= 0.674 (180deg=0.531) USER MOD Set 3.2: A 97 TYR OH : rot 67:sc= 0.552 USER MOD Set 4.1: A 31 THR OG1 : rot -144:sc= 0.976 USER MOD Set 4.2: A 93 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0) USER MOD Set 5.1: A 37 TYR OH : rot 40:sc= 0.214 USER MOD Set 5.2: A 49 HIS : no HD1:sc= -1.85! C(o=-2.9!,f=-8!) USER MOD Set 5.3: A 77 HIS : no HD1:sc= -0.0204 K(o=-2.9,f=-6.6) USER MOD Set 5.4: A 78 MET CE :methyl -123:sc= -1.23 (180deg=-3.59!) USER MOD Set 5.5: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 12 SER OG : rot -121:sc= -0.681! USER MOD Set 6.2: A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.3: A 17 MET CE :methyl 158:sc=-0.00542 (180deg=0) USER MOD Set 6.4: A 113 HIS : no HD1:sc= -0.433 X(o=-1.1,f=-1.5) USER MOD Set 7.1: A 10 ASN : amide:sc= -0.214 X(o=0.17,f=-0.25) USER MOD Set 7.2: A 11 THR OG1 : rot 64:sc= 0.384 USER MOD Set 8.1: A 6 GLN :FLIP amide:sc= 0.37 F(o=0.049,f=0.85) USER MOD Set 8.2: A 23 THR OG1 : rot -82:sc= 0.482 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -154:sc= -0.642 (180deg=-1.8!) USER MOD Single : A 5 SER OG : rot 89:sc= 0.957 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.133 F(o=-0.69,f=-0.13) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.046) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 33 TYR OH : rot 150:sc= 0.323 USER MOD Single : A 36 SER OG : rot 180:sc= -1.12 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00672 X(o=-0.0067,f=-0.0067) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 48 HIS : no HD1:sc=-0.000772 X(o=-0.00077,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 0.111 (180deg=-0.0809) USER MOD Single : A 54 GLN : amide:sc= 0.321 K(o=0.32,f=-0.31) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0207) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 GLN :FLIP amide:sc=-0.00499 F(o=-0.81,f=-0.005) USER MOD Single : A 76 SER OG : rot 23:sc= 0.148 USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0777) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 94 THR OG1 : rot 160:sc= 0 USER MOD Single : A 95 THR OG1 : rot -75:sc= 0.331 USER MOD Single : A 101 TYR OH : rot -63:sc= 0.00119 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 103 SER OG : rot 27:sc= 0.417 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 112 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 163:sc= 0.973 (180deg=0.694) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -159:sc= 0.774 (180deg=0.51) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HE2:sc= 0.28 K(o=0.28,f=-2) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.029 15.340 -2.216 1.00 22.12 N ATOM 2 CA MET A 1 -4.929 15.373 -3.693 1.00 20.32 C ATOM 3 C MET A 1 -6.270 14.949 -4.322 1.00 71.04 C ATOM 4 O MET A 1 -6.755 13.841 -4.059 1.00 63.02 O ATOM 5 CB MET A 1 -3.789 14.443 -4.197 1.00 42.04 C ATOM 6 CG MET A 1 -2.390 14.810 -3.685 1.00 43.14 C ATOM 7 SD MET A 1 -1.862 16.447 -4.239 1.00 2.43 S ATOM 8 CE MET A 1 -0.231 16.566 -3.497 1.00 2.35 C ATOM 0 H1 MET A 1 -4.229 15.859 -1.802 1.00 22.12 H new ATOM 0 H2 MET A 1 -5.921 15.784 -1.918 1.00 22.12 H new ATOM 0 H3 MET A 1 -5.008 14.353 -1.889 1.00 22.12 H new ATOM 0 HA MET A 1 -4.695 16.394 -3.995 1.00 20.32 H new ATOM 0 HB2 MET A 1 -4.014 13.419 -3.897 1.00 42.04 H new ATOM 0 HB3 MET A 1 -3.779 14.461 -5.287 1.00 42.04 H new ATOM 0 HG2 MET A 1 -2.385 14.779 -2.595 1.00 43.14 H new ATOM 0 HG3 MET A 1 -1.673 14.064 -4.028 1.00 43.14 H new ATOM 0 HE1 MET A 1 0.217 17.526 -3.754 1.00 2.35 H new ATOM 0 HE2 MET A 1 -0.317 16.484 -2.413 1.00 2.35 H new ATOM 0 HE3 MET A 1 0.399 15.760 -3.872 1.00 2.35 H new ATOM 20 N LYS A 2 -6.867 15.842 -5.132 1.00 34.32 N ATOM 21 CA LYS A 2 -8.115 15.547 -5.870 1.00 45.12 C ATOM 22 C LYS A 2 -7.839 14.537 -7.012 1.00 52.12 C ATOM 23 O LYS A 2 -6.733 14.510 -7.578 1.00 34.34 O ATOM 24 CB LYS A 2 -8.749 16.865 -6.410 1.00 65.21 C ATOM 25 CG LYS A 2 -7.950 17.576 -7.529 1.00 54.45 C ATOM 26 CD LYS A 2 -8.517 18.972 -7.929 1.00 31.10 C ATOM 27 CE LYS A 2 -8.090 20.121 -6.981 1.00 31.53 C ATOM 28 NZ LYS A 2 -8.647 20.002 -5.606 1.00 33.03 N ATOM 0 H LYS A 2 -6.504 16.781 -5.295 1.00 34.32 H new ATOM 0 HA LYS A 2 -8.832 15.089 -5.188 1.00 45.12 H new ATOM 0 HB2 LYS A 2 -9.747 16.641 -6.786 1.00 65.21 H new ATOM 0 HB3 LYS A 2 -8.870 17.558 -5.577 1.00 65.21 H new ATOM 0 HG2 LYS A 2 -6.917 17.696 -7.203 1.00 54.45 H new ATOM 0 HG3 LYS A 2 -7.934 16.936 -8.411 1.00 54.45 H new ATOM 0 HD2 LYS A 2 -8.190 19.209 -8.941 1.00 31.10 H new ATOM 0 HD3 LYS A 2 -9.605 18.918 -7.951 1.00 31.10 H new ATOM 0 HE2 LYS A 2 -7.002 20.145 -6.922 1.00 31.53 H new ATOM 0 HE3 LYS A 2 -8.407 21.071 -7.411 1.00 31.53 H new ATOM 0 HZ1 LYS A 2 -8.711 20.946 -5.175 1.00 33.03 H new ATOM 0 HZ2 LYS A 2 -9.595 19.577 -5.651 1.00 33.03 H new ATOM 0 HZ3 LYS A 2 -8.025 19.400 -5.030 1.00 33.03 H new ATOM 42 N VAL A 3 -8.823 13.678 -7.318 1.00 5.45 N ATOM 43 CA VAL A 3 -8.690 12.676 -8.395 1.00 74.33 C ATOM 44 C VAL A 3 -8.625 13.360 -9.794 1.00 71.04 C ATOM 45 O VAL A 3 -9.428 14.240 -10.113 1.00 42.22 O ATOM 46 CB VAL A 3 -9.832 11.595 -8.330 1.00 75.20 C ATOM 47 CG1 VAL A 3 -9.740 10.586 -9.503 1.00 11.41 C ATOM 48 CG2 VAL A 3 -9.796 10.848 -6.967 1.00 30.22 C ATOM 0 H VAL A 3 -9.722 13.654 -6.836 1.00 5.45 H new ATOM 0 HA VAL A 3 -7.747 12.152 -8.240 1.00 74.33 H new ATOM 0 HB VAL A 3 -10.784 12.119 -8.423 1.00 75.20 H new ATOM 0 HG11 VAL A 3 -10.546 9.857 -9.420 1.00 11.41 H new ATOM 0 HG12 VAL A 3 -9.829 11.119 -10.449 1.00 11.41 H new ATOM 0 HG13 VAL A 3 -8.780 10.071 -9.465 1.00 11.41 H new ATOM 0 HG21 VAL A 3 -10.592 10.104 -6.939 1.00 30.22 H new ATOM 0 HG22 VAL A 3 -8.832 10.353 -6.849 1.00 30.22 H new ATOM 0 HG23 VAL A 3 -9.938 11.563 -6.156 1.00 30.22 H new ATOM 58 N GLY A 4 -7.643 12.927 -10.600 1.00 34.41 N ATOM 59 CA GLY A 4 -7.350 13.521 -11.915 1.00 4.30 C ATOM 60 C GLY A 4 -6.115 14.435 -11.920 1.00 72.40 C ATOM 61 O GLY A 4 -5.718 14.923 -12.987 1.00 2.23 O ATOM 0 H GLY A 4 -7.027 12.151 -10.357 1.00 34.41 H new ATOM 0 HA2 GLY A 4 -7.201 12.721 -12.640 1.00 4.30 H new ATOM 0 HA3 GLY A 4 -8.216 14.094 -12.246 1.00 4.30 H new ATOM 65 N SER A 5 -5.522 14.680 -10.731 1.00 70.41 N ATOM 66 CA SER A 5 -4.323 15.551 -10.582 1.00 43.55 C ATOM 67 C SER A 5 -3.053 14.944 -11.220 1.00 63.44 C ATOM 68 O SER A 5 -2.772 13.753 -11.063 1.00 53.44 O ATOM 69 CB SER A 5 -4.031 15.840 -9.087 1.00 32.20 C ATOM 70 OG SER A 5 -5.075 16.588 -8.490 1.00 13.41 O ATOM 0 H SER A 5 -5.854 14.286 -9.851 1.00 70.41 H new ATOM 0 HA SER A 5 -4.562 16.475 -11.109 1.00 43.55 H new ATOM 0 HB2 SER A 5 -3.904 14.899 -8.551 1.00 32.20 H new ATOM 0 HB3 SER A 5 -3.093 16.387 -8.998 1.00 32.20 H new ATOM 0 HG SER A 5 -5.754 15.977 -8.135 1.00 13.41 H new ATOM 76 N GLN A 6 -2.296 15.789 -11.941 1.00 0.31 N ATOM 77 CA GLN A 6 -0.932 15.457 -12.401 1.00 41.20 C ATOM 78 C GLN A 6 0.070 15.776 -11.273 1.00 14.40 C ATOM 79 O GLN A 6 0.234 16.932 -10.895 1.00 1.22 O ATOM 80 CB GLN A 6 -0.574 16.257 -13.686 1.00 41.45 C ATOM 81 CG GLN A 6 -1.485 15.971 -14.898 1.00 21.23 C ATOM 82 CD GLN A 6 -1.465 14.507 -15.338 1.00 42.20 C ATOM 83 OE1 GLN A 6 -2.374 13.706 -14.822 1.00 63.02 O flip ATOM 84 NE2 GLN A 6 -0.639 14.105 -16.151 1.00 15.14 N flip ATOM 0 H GLN A 6 -2.609 16.718 -12.222 1.00 0.31 H new ATOM 0 HA GLN A 6 -0.883 14.396 -12.644 1.00 41.20 H new ATOM 0 HB2 GLN A 6 -0.618 17.322 -13.459 1.00 41.45 H new ATOM 0 HB3 GLN A 6 0.456 16.033 -13.962 1.00 41.45 H new ATOM 0 HG2 GLN A 6 -2.508 16.255 -14.650 1.00 21.23 H new ATOM 0 HG3 GLN A 6 -1.174 16.598 -15.733 1.00 21.23 H new ATOM 0 HE21 GLN A 6 0.054 14.748 -16.534 1.00 15.14 H new ATOM 0 HE22 GLN A 6 -0.645 13.128 -16.444 1.00 15.14 H new ATOM 93 N VAL A 7 0.702 14.735 -10.727 1.00 10.11 N ATOM 94 CA VAL A 7 1.635 14.852 -9.580 1.00 42.01 C ATOM 95 C VAL A 7 3.021 14.262 -9.922 1.00 71.20 C ATOM 96 O VAL A 7 3.219 13.722 -11.007 1.00 53.43 O ATOM 97 CB VAL A 7 1.054 14.157 -8.280 1.00 14.22 C ATOM 98 CG1 VAL A 7 -0.224 14.875 -7.774 1.00 64.01 C ATOM 99 CG2 VAL A 7 0.788 12.647 -8.514 1.00 45.13 C ATOM 0 H VAL A 7 0.587 13.778 -11.062 1.00 10.11 H new ATOM 0 HA VAL A 7 1.751 15.916 -9.374 1.00 42.01 H new ATOM 0 HB VAL A 7 1.813 14.244 -7.502 1.00 14.22 H new ATOM 0 HG11 VAL A 7 -0.595 14.371 -6.881 1.00 64.01 H new ATOM 0 HG12 VAL A 7 0.012 15.912 -7.534 1.00 64.01 H new ATOM 0 HG13 VAL A 7 -0.989 14.847 -8.550 1.00 64.01 H new ATOM 0 HG21 VAL A 7 0.390 12.202 -7.602 1.00 45.13 H new ATOM 0 HG22 VAL A 7 0.066 12.526 -9.322 1.00 45.13 H new ATOM 0 HG23 VAL A 7 1.720 12.151 -8.783 1.00 45.13 H new ATOM 109 N ILE A 8 3.987 14.424 -9.000 1.00 45.32 N ATOM 110 CA ILE A 8 5.316 13.767 -9.062 1.00 63.24 C ATOM 111 C ILE A 8 5.623 13.102 -7.699 1.00 65.23 C ATOM 112 O ILE A 8 5.409 13.698 -6.637 1.00 4.35 O ATOM 113 CB ILE A 8 6.477 14.772 -9.491 1.00 54.14 C ATOM 114 CG1 ILE A 8 6.258 15.239 -10.975 1.00 1.24 C ATOM 115 CG2 ILE A 8 7.890 14.156 -9.312 1.00 60.32 C ATOM 116 CD1 ILE A 8 7.429 15.943 -11.652 1.00 32.30 C ATOM 0 H ILE A 8 3.871 15.020 -8.180 1.00 45.32 H new ATOM 0 HA ILE A 8 5.279 13.003 -9.838 1.00 63.24 H new ATOM 0 HB ILE A 8 6.426 15.636 -8.828 1.00 54.14 H new ATOM 0 HG12 ILE A 8 5.996 14.365 -11.571 1.00 1.24 H new ATOM 0 HG13 ILE A 8 5.399 15.910 -10.997 1.00 1.24 H new ATOM 0 HG21 ILE A 8 8.644 14.881 -9.618 1.00 60.32 H new ATOM 0 HG22 ILE A 8 8.043 13.894 -8.265 1.00 60.32 H new ATOM 0 HG23 ILE A 8 7.977 13.260 -9.927 1.00 60.32 H new ATOM 0 HD11 ILE A 8 7.151 16.214 -12.670 1.00 32.30 H new ATOM 0 HD12 ILE A 8 7.684 16.844 -11.094 1.00 32.30 H new ATOM 0 HD13 ILE A 8 8.290 15.275 -11.677 1.00 32.30 H new ATOM 128 N ILE A 9 6.115 11.856 -7.756 1.00 61.23 N ATOM 129 CA ILE A 9 6.341 11.006 -6.577 1.00 14.41 C ATOM 130 C ILE A 9 7.739 11.291 -5.974 1.00 12.25 C ATOM 131 O ILE A 9 8.762 10.925 -6.554 1.00 32.43 O ATOM 132 CB ILE A 9 6.182 9.486 -6.972 1.00 1.05 C ATOM 133 CG1 ILE A 9 4.778 9.252 -7.634 1.00 73.03 C ATOM 134 CG2 ILE A 9 6.399 8.551 -5.753 1.00 34.11 C ATOM 135 CD1 ILE A 9 4.517 7.843 -8.135 1.00 70.11 C ATOM 0 H ILE A 9 6.371 11.404 -8.634 1.00 61.23 H new ATOM 0 HA ILE A 9 5.596 11.237 -5.816 1.00 14.41 H new ATOM 0 HB ILE A 9 6.955 9.236 -7.698 1.00 1.05 H new ATOM 0 HG12 ILE A 9 4.006 9.509 -6.908 1.00 73.03 H new ATOM 0 HG13 ILE A 9 4.671 9.942 -8.471 1.00 73.03 H new ATOM 0 HG21 ILE A 9 6.281 7.513 -6.065 1.00 34.11 H new ATOM 0 HG22 ILE A 9 7.403 8.699 -5.355 1.00 34.11 H new ATOM 0 HG23 ILE A 9 5.665 8.783 -4.981 1.00 34.11 H new ATOM 0 HD11 ILE A 9 3.520 7.791 -8.573 1.00 70.11 H new ATOM 0 HD12 ILE A 9 5.259 7.582 -8.889 1.00 70.11 H new ATOM 0 HD13 ILE A 9 4.584 7.143 -7.303 1.00 70.11 H new ATOM 147 N ASN A 10 7.768 11.955 -4.803 1.00 72.42 N ATOM 148 CA ASN A 10 9.024 12.417 -4.160 1.00 1.44 C ATOM 149 C ASN A 10 9.607 11.326 -3.223 1.00 34.22 C ATOM 150 O ASN A 10 10.806 11.010 -3.280 1.00 72.31 O ATOM 151 CB ASN A 10 8.782 13.751 -3.404 1.00 64.41 C ATOM 152 CG ASN A 10 7.620 13.697 -2.409 1.00 71.35 C ATOM 153 OD1 ASN A 10 7.788 13.350 -1.245 1.00 3.35 O ATOM 154 ND2 ASN A 10 6.431 14.031 -2.860 1.00 35.13 N ATOM 0 H ASN A 10 6.928 12.188 -4.274 1.00 72.42 H new ATOM 0 HA ASN A 10 9.765 12.600 -4.938 1.00 1.44 H new ATOM 0 HB2 ASN A 10 9.692 14.025 -2.870 1.00 64.41 H new ATOM 0 HB3 ASN A 10 8.589 14.540 -4.131 1.00 64.41 H new ATOM 0 HD21 ASN A 10 5.624 14.005 -2.237 1.00 35.13 H new ATOM 0 HD22 ASN A 10 6.316 14.316 -3.832 1.00 35.13 H new ATOM 161 N THR A 11 8.738 10.766 -2.371 1.00 31.31 N ATOM 162 CA THR A 11 9.064 9.621 -1.493 1.00 64.33 C ATOM 163 C THR A 11 8.463 8.356 -2.121 1.00 2.34 C ATOM 164 O THR A 11 7.373 8.418 -2.693 1.00 42.22 O ATOM 165 CB THR A 11 8.480 9.820 -0.051 1.00 53.25 C ATOM 166 OG1 THR A 11 8.883 11.097 0.468 1.00 0.20 O ATOM 167 CG2 THR A 11 8.931 8.707 0.916 1.00 61.22 C ATOM 0 H THR A 11 7.778 11.094 -2.267 1.00 31.31 H new ATOM 0 HA THR A 11 10.147 9.537 -1.401 1.00 64.33 H new ATOM 0 HB THR A 11 7.394 9.774 -0.130 1.00 53.25 H new ATOM 0 HG1 THR A 11 8.495 11.810 -0.081 1.00 0.20 H new ATOM 0 HG21 THR A 11 8.503 8.886 1.902 1.00 61.22 H new ATOM 0 HG22 THR A 11 8.591 7.741 0.543 1.00 61.22 H new ATOM 0 HG23 THR A 11 10.019 8.706 0.988 1.00 61.22 H new ATOM 175 N SER A 12 9.156 7.215 -2.026 1.00 21.24 N ATOM 176 CA SER A 12 8.732 5.995 -2.738 1.00 20.25 C ATOM 177 C SER A 12 9.277 4.702 -2.114 1.00 51.31 C ATOM 178 O SER A 12 10.316 4.690 -1.443 1.00 62.13 O ATOM 179 CB SER A 12 9.163 6.084 -4.221 1.00 34.53 C ATOM 180 OG SER A 12 8.907 4.880 -4.907 1.00 54.14 O ATOM 0 H SER A 12 10.004 7.107 -1.470 1.00 21.24 H new ATOM 0 HA SER A 12 7.646 5.945 -2.656 1.00 20.25 H new ATOM 0 HB2 SER A 12 8.630 6.901 -4.707 1.00 34.53 H new ATOM 0 HB3 SER A 12 10.226 6.318 -4.279 1.00 34.53 H new ATOM 0 HG SER A 12 9.746 4.524 -5.268 1.00 54.14 H new ATOM 186 N HIS A 13 8.540 3.610 -2.380 1.00 2.23 N ATOM 187 CA HIS A 13 8.904 2.239 -1.984 1.00 5.23 C ATOM 188 C HIS A 13 9.870 1.648 -3.036 1.00 22.22 C ATOM 189 O HIS A 13 10.869 1.003 -2.702 1.00 42.21 O ATOM 190 CB HIS A 13 7.623 1.351 -1.882 1.00 32.11 C ATOM 191 CG HIS A 13 6.428 2.028 -1.240 1.00 61.32 C ATOM 192 ND1 HIS A 13 6.367 2.946 -0.238 1.00 40.20 N flip ATOM 193 CD2 HIS A 13 5.156 1.764 -1.670 1.00 45.32 C flip ATOM 194 CE1 HIS A 13 5.045 3.254 -0.055 1.00 21.11 C flip ATOM 195 NE2 HIS A 13 4.361 2.518 -0.938 1.00 11.24 N flip ATOM 0 H HIS A 13 7.656 3.657 -2.887 1.00 2.23 H new ATOM 0 HA HIS A 13 9.392 2.261 -1.009 1.00 5.23 H new ATOM 0 HB2 HIS A 13 7.343 1.026 -2.884 1.00 32.11 H new ATOM 0 HB3 HIS A 13 7.864 0.454 -1.311 1.00 32.11 H new ATOM 0 HD2 HIS A 13 4.863 1.077 -2.451 1.00 45.32 H new ATOM 0 HE1 HIS A 13 4.636 3.952 0.660 1.00 21.11 H new ATOM 0 HE2 HIS A 13 3.346 2.538 -1.033 1.00 11.24 H new ATOM 203 N MET A 14 9.541 1.900 -4.322 1.00 41.12 N ATOM 204 CA MET A 14 10.315 1.420 -5.487 1.00 0.14 C ATOM 205 C MET A 14 11.382 2.479 -5.874 1.00 22.31 C ATOM 206 O MET A 14 11.044 3.648 -6.070 1.00 52.44 O ATOM 207 CB MET A 14 9.358 1.162 -6.696 1.00 15.55 C ATOM 208 CG MET A 14 8.084 0.376 -6.350 1.00 3.22 C ATOM 209 SD MET A 14 8.436 -1.216 -5.577 1.00 41.44 S ATOM 210 CE MET A 14 6.784 -1.852 -5.275 1.00 31.01 C ATOM 0 H MET A 14 8.721 2.448 -4.583 1.00 41.12 H new ATOM 0 HA MET A 14 10.812 0.486 -5.226 1.00 0.14 H new ATOM 0 HB2 MET A 14 9.071 2.122 -7.126 1.00 15.55 H new ATOM 0 HB3 MET A 14 9.906 0.619 -7.466 1.00 15.55 H new ATOM 0 HG2 MET A 14 7.465 0.972 -5.679 1.00 3.22 H new ATOM 0 HG3 MET A 14 7.504 0.214 -7.259 1.00 3.22 H new ATOM 0 HE1 MET A 14 6.852 -2.831 -4.800 1.00 31.01 H new ATOM 0 HE2 MET A 14 6.245 -1.168 -4.620 1.00 31.01 H new ATOM 0 HE3 MET A 14 6.251 -1.944 -6.221 1.00 31.01 H new ATOM 220 N LYS A 15 12.656 2.076 -6.015 1.00 24.24 N ATOM 221 CA LYS A 15 13.762 3.021 -6.336 1.00 31.42 C ATOM 222 C LYS A 15 13.632 3.630 -7.763 1.00 15.12 C ATOM 223 O LYS A 15 14.256 4.647 -8.074 1.00 71.40 O ATOM 224 CB LYS A 15 15.140 2.324 -6.106 1.00 23.45 C ATOM 225 CG LYS A 15 15.428 1.062 -6.973 1.00 2.40 C ATOM 226 CD LYS A 15 16.087 1.367 -8.345 1.00 61.43 C ATOM 227 CE LYS A 15 17.474 2.027 -8.213 1.00 63.52 C ATOM 228 NZ LYS A 15 18.447 1.151 -7.507 1.00 71.34 N ATOM 0 H LYS A 15 12.955 1.106 -5.914 1.00 24.24 H new ATOM 0 HA LYS A 15 13.692 3.869 -5.655 1.00 31.42 H new ATOM 0 HB2 LYS A 15 15.928 3.054 -6.292 1.00 23.45 H new ATOM 0 HB3 LYS A 15 15.209 2.041 -5.056 1.00 23.45 H new ATOM 0 HG2 LYS A 15 16.078 0.391 -6.412 1.00 2.40 H new ATOM 0 HG3 LYS A 15 14.492 0.531 -7.143 1.00 2.40 H new ATOM 0 HD2 LYS A 15 16.184 0.440 -8.909 1.00 61.43 H new ATOM 0 HD3 LYS A 15 15.432 2.022 -8.919 1.00 61.43 H new ATOM 0 HE2 LYS A 15 17.857 2.267 -9.205 1.00 63.52 H new ATOM 0 HE3 LYS A 15 17.377 2.969 -7.673 1.00 63.52 H new ATOM 0 HZ1 LYS A 15 19.390 1.590 -7.530 1.00 71.34 H new ATOM 0 HZ2 LYS A 15 18.148 1.025 -6.519 1.00 71.34 H new ATOM 0 HZ3 LYS A 15 18.485 0.224 -7.978 1.00 71.34 H new ATOM 242 N GLY A 16 12.817 2.984 -8.625 1.00 34.13 N ATOM 243 CA GLY A 16 12.506 3.502 -9.969 1.00 44.33 C ATOM 244 C GLY A 16 11.264 4.405 -10.017 1.00 52.01 C ATOM 245 O GLY A 16 11.027 5.074 -11.021 1.00 21.31 O ATOM 0 H GLY A 16 12.362 2.097 -8.409 1.00 34.13 H new ATOM 0 HA2 GLY A 16 13.365 4.062 -10.339 1.00 44.33 H new ATOM 0 HA3 GLY A 16 12.358 2.661 -10.646 1.00 44.33 H new ATOM 249 N MET A 17 10.482 4.439 -8.921 1.00 3.22 N ATOM 250 CA MET A 17 9.220 5.220 -8.852 1.00 45.51 C ATOM 251 C MET A 17 9.477 6.675 -8.384 1.00 3.32 C ATOM 252 O MET A 17 8.676 7.577 -8.671 1.00 43.54 O ATOM 253 CB MET A 17 8.194 4.500 -7.931 1.00 1.11 C ATOM 254 CG MET A 17 6.835 5.201 -7.804 1.00 23.20 C ATOM 255 SD MET A 17 5.544 4.185 -7.043 1.00 32.33 S ATOM 256 CE MET A 17 5.915 4.284 -5.296 1.00 71.32 C ATOM 0 H MET A 17 10.700 3.933 -8.063 1.00 3.22 H new ATOM 0 HA MET A 17 8.799 5.279 -9.856 1.00 45.51 H new ATOM 0 HB2 MET A 17 8.032 3.491 -8.311 1.00 1.11 H new ATOM 0 HB3 MET A 17 8.629 4.400 -6.937 1.00 1.11 H new ATOM 0 HG2 MET A 17 6.961 6.109 -7.215 1.00 23.20 H new ATOM 0 HG3 MET A 17 6.503 5.508 -8.796 1.00 23.20 H new ATOM 0 HE1 MET A 17 5.019 4.052 -4.720 1.00 71.32 H new ATOM 0 HE2 MET A 17 6.700 3.569 -5.050 1.00 71.32 H new ATOM 0 HE3 MET A 17 6.252 5.291 -5.052 1.00 71.32 H new ATOM 266 N LYS A 18 10.604 6.906 -7.673 1.00 11.00 N ATOM 267 CA LYS A 18 10.988 8.268 -7.238 1.00 44.24 C ATOM 268 C LYS A 18 11.335 9.170 -8.449 1.00 4.13 C ATOM 269 O LYS A 18 11.901 8.708 -9.446 1.00 23.41 O ATOM 270 CB LYS A 18 12.135 8.239 -6.173 1.00 42.52 C ATOM 271 CG LYS A 18 13.463 7.508 -6.546 1.00 2.32 C ATOM 272 CD LYS A 18 14.391 8.256 -7.551 1.00 2.42 C ATOM 273 CE LYS A 18 14.725 9.702 -7.128 1.00 60.00 C ATOM 274 NZ LYS A 18 15.456 9.771 -5.835 1.00 21.41 N ATOM 0 H LYS A 18 11.257 6.175 -7.391 1.00 11.00 H new ATOM 0 HA LYS A 18 10.121 8.711 -6.747 1.00 44.24 H new ATOM 0 HB2 LYS A 18 12.381 9.270 -5.919 1.00 42.52 H new ATOM 0 HB3 LYS A 18 11.740 7.774 -5.270 1.00 42.52 H new ATOM 0 HG2 LYS A 18 14.024 7.325 -5.630 1.00 2.32 H new ATOM 0 HG3 LYS A 18 13.213 6.534 -6.967 1.00 2.32 H new ATOM 0 HD2 LYS A 18 15.319 7.695 -7.661 1.00 2.42 H new ATOM 0 HD3 LYS A 18 13.912 8.275 -8.530 1.00 2.42 H new ATOM 0 HE2 LYS A 18 15.326 10.173 -7.905 1.00 60.00 H new ATOM 0 HE3 LYS A 18 13.801 10.275 -7.049 1.00 60.00 H new ATOM 0 HZ1 LYS A 18 15.654 10.765 -5.601 1.00 21.41 H new ATOM 0 HZ2 LYS A 18 14.874 9.347 -5.084 1.00 21.41 H new ATOM 0 HZ3 LYS A 18 16.352 9.249 -5.914 1.00 21.41 H new ATOM 288 N GLY A 19 10.939 10.446 -8.363 1.00 63.42 N ATOM 289 CA GLY A 19 11.205 11.426 -9.422 1.00 52.32 C ATOM 290 C GLY A 19 10.253 11.322 -10.630 1.00 12.25 C ATOM 291 O GLY A 19 10.274 12.184 -11.513 1.00 73.40 O ATOM 0 H GLY A 19 10.430 10.825 -7.565 1.00 63.42 H new ATOM 0 HA2 GLY A 19 11.132 12.429 -9.001 1.00 52.32 H new ATOM 0 HA3 GLY A 19 12.230 11.300 -9.769 1.00 52.32 H new ATOM 295 N ALA A 20 9.421 10.259 -10.670 1.00 71.12 N ATOM 296 CA ALA A 20 8.485 9.998 -11.782 1.00 50.22 C ATOM 297 C ALA A 20 7.221 10.866 -11.671 1.00 14.34 C ATOM 298 O ALA A 20 6.754 11.158 -10.569 1.00 4.11 O ATOM 299 CB ALA A 20 8.098 8.510 -11.814 1.00 71.23 C ATOM 0 H ALA A 20 9.380 9.558 -9.931 1.00 71.12 H new ATOM 0 HA ALA A 20 8.993 10.259 -12.710 1.00 50.22 H new ATOM 0 HB1 ALA A 20 7.408 8.331 -12.638 1.00 71.23 H new ATOM 0 HB2 ALA A 20 8.993 7.904 -11.953 1.00 71.23 H new ATOM 0 HB3 ALA A 20 7.618 8.239 -10.874 1.00 71.23 H new ATOM 305 N GLU A 21 6.649 11.231 -12.825 1.00 13.41 N ATOM 306 CA GLU A 21 5.435 12.065 -12.893 1.00 23.23 C ATOM 307 C GLU A 21 4.182 11.165 -13.044 1.00 1.21 C ATOM 308 O GLU A 21 3.991 10.498 -14.066 1.00 24.32 O ATOM 309 CB GLU A 21 5.563 13.139 -14.016 1.00 54.44 C ATOM 310 CG GLU A 21 6.007 12.630 -15.400 1.00 2.14 C ATOM 311 CD GLU A 21 6.092 13.745 -16.457 1.00 32.01 C ATOM 312 OE1 GLU A 21 5.032 14.151 -16.994 1.00 1.10 O ATOM 313 OE2 GLU A 21 7.205 14.236 -16.740 1.00 65.33 O ATOM 0 H GLU A 21 7.011 10.959 -13.739 1.00 13.41 H new ATOM 0 HA GLU A 21 5.318 12.618 -11.961 1.00 23.23 H new ATOM 0 HB2 GLU A 21 4.598 13.634 -14.127 1.00 54.44 H new ATOM 0 HB3 GLU A 21 6.274 13.896 -13.686 1.00 54.44 H new ATOM 0 HG2 GLU A 21 6.981 12.150 -15.308 1.00 2.14 H new ATOM 0 HG3 GLU A 21 5.307 11.867 -15.741 1.00 2.14 H new ATOM 320 N ALA A 22 3.364 11.120 -11.978 1.00 32.14 N ATOM 321 CA ALA A 22 2.189 10.232 -11.870 1.00 23.34 C ATOM 322 C ALA A 22 0.843 10.960 -12.131 1.00 75.51 C ATOM 323 O ALA A 22 0.790 12.183 -12.265 1.00 72.12 O ATOM 324 CB ALA A 22 2.177 9.586 -10.479 1.00 14.31 C ATOM 0 H ALA A 22 3.501 11.707 -11.155 1.00 32.14 H new ATOM 0 HA ALA A 22 2.282 9.474 -12.648 1.00 23.34 H new ATOM 0 HB1 ALA A 22 1.312 8.928 -10.391 1.00 14.31 H new ATOM 0 HB2 ALA A 22 3.089 9.006 -10.339 1.00 14.31 H new ATOM 0 HB3 ALA A 22 2.121 10.364 -9.717 1.00 14.31 H new ATOM 330 N THR A 23 -0.240 10.163 -12.204 1.00 54.14 N ATOM 331 CA THR A 23 -1.632 10.662 -12.294 1.00 52.43 C ATOM 332 C THR A 23 -2.488 10.034 -11.168 1.00 61.32 C ATOM 333 O THR A 23 -2.563 8.808 -11.063 1.00 55.53 O ATOM 334 CB THR A 23 -2.281 10.308 -13.683 1.00 33.13 C ATOM 335 OG1 THR A 23 -1.486 10.851 -14.756 1.00 52.45 O ATOM 336 CG2 THR A 23 -3.729 10.838 -13.804 1.00 73.32 C ATOM 0 H THR A 23 -0.176 9.145 -12.202 1.00 54.14 H new ATOM 0 HA THR A 23 -1.603 11.746 -12.188 1.00 52.43 H new ATOM 0 HB THR A 23 -2.313 9.221 -13.752 1.00 33.13 H new ATOM 0 HG1 THR A 23 -1.710 11.797 -14.883 1.00 52.45 H new ATOM 0 HG21 THR A 23 -4.135 10.569 -14.779 1.00 73.32 H new ATOM 0 HG22 THR A 23 -4.345 10.396 -13.021 1.00 73.32 H new ATOM 0 HG23 THR A 23 -3.730 11.923 -13.697 1.00 73.32 H new ATOM 344 N VAL A 24 -3.129 10.880 -10.339 1.00 2.22 N ATOM 345 CA VAL A 24 -4.039 10.422 -9.261 1.00 61.03 C ATOM 346 C VAL A 24 -5.354 9.868 -9.873 1.00 22.01 C ATOM 347 O VAL A 24 -6.027 10.559 -10.630 1.00 53.41 O ATOM 348 CB VAL A 24 -4.362 11.588 -8.244 1.00 14.54 C ATOM 349 CG1 VAL A 24 -5.312 11.117 -7.108 1.00 14.24 C ATOM 350 CG2 VAL A 24 -3.057 12.192 -7.662 1.00 52.24 C ATOM 0 H VAL A 24 -3.035 11.894 -10.393 1.00 2.22 H new ATOM 0 HA VAL A 24 -3.535 9.628 -8.711 1.00 61.03 H new ATOM 0 HB VAL A 24 -4.882 12.369 -8.799 1.00 14.54 H new ATOM 0 HG11 VAL A 24 -5.509 11.948 -6.431 1.00 14.24 H new ATOM 0 HG12 VAL A 24 -6.251 10.770 -7.539 1.00 14.24 H new ATOM 0 HG13 VAL A 24 -4.843 10.302 -6.556 1.00 14.24 H new ATOM 0 HG21 VAL A 24 -3.306 12.992 -6.965 1.00 52.24 H new ATOM 0 HG22 VAL A 24 -2.499 11.416 -7.139 1.00 52.24 H new ATOM 0 HG23 VAL A 24 -2.449 12.593 -8.473 1.00 52.24 H new ATOM 360 N THR A 25 -5.678 8.604 -9.575 1.00 12.23 N ATOM 361 CA THR A 25 -6.917 7.935 -10.062 1.00 54.20 C ATOM 362 C THR A 25 -7.748 7.319 -8.916 1.00 50.22 C ATOM 363 O THR A 25 -8.855 6.825 -9.155 1.00 24.20 O ATOM 364 CB THR A 25 -6.593 6.835 -11.132 1.00 52.24 C ATOM 365 OG1 THR A 25 -5.629 5.897 -10.612 1.00 4.13 O ATOM 366 CG2 THR A 25 -6.065 7.458 -12.433 1.00 61.30 C ATOM 0 H THR A 25 -5.096 8.005 -8.989 1.00 12.23 H new ATOM 0 HA THR A 25 -7.517 8.717 -10.527 1.00 54.20 H new ATOM 0 HB THR A 25 -7.521 6.309 -11.358 1.00 52.24 H new ATOM 0 HG1 THR A 25 -5.288 6.221 -9.752 1.00 4.13 H new ATOM 0 HG21 THR A 25 -5.850 6.669 -13.153 1.00 61.30 H new ATOM 0 HG22 THR A 25 -6.817 8.131 -12.845 1.00 61.30 H new ATOM 0 HG23 THR A 25 -5.153 8.017 -12.225 1.00 61.30 H new ATOM 374 N GLY A 26 -7.215 7.337 -7.680 1.00 71.43 N ATOM 375 CA GLY A 26 -7.971 6.901 -6.490 1.00 54.33 C ATOM 376 C GLY A 26 -7.472 7.583 -5.210 1.00 14.13 C ATOM 377 O GLY A 26 -6.279 7.859 -5.093 1.00 55.15 O ATOM 0 H GLY A 26 -6.265 7.648 -7.479 1.00 71.43 H new ATOM 0 HA2 GLY A 26 -9.029 7.124 -6.631 1.00 54.33 H new ATOM 0 HA3 GLY A 26 -7.885 5.820 -6.382 1.00 54.33 H new ATOM 381 N ALA A 27 -8.390 7.867 -4.262 1.00 73.44 N ATOM 382 CA ALA A 27 -8.061 8.519 -2.966 1.00 2.32 C ATOM 383 C ALA A 27 -8.947 7.954 -1.829 1.00 43.33 C ATOM 384 O ALA A 27 -10.178 7.988 -1.921 1.00 54.25 O ATOM 385 CB ALA A 27 -8.234 10.043 -3.092 1.00 65.30 C ATOM 0 H ALA A 27 -9.382 7.653 -4.369 1.00 73.44 H new ATOM 0 HA ALA A 27 -7.022 8.304 -2.715 1.00 2.32 H new ATOM 0 HB1 ALA A 27 -7.992 10.517 -2.141 1.00 65.30 H new ATOM 0 HB2 ALA A 27 -7.567 10.422 -3.866 1.00 65.30 H new ATOM 0 HB3 ALA A 27 -9.266 10.271 -3.359 1.00 65.30 H new ATOM 391 N TYR A 28 -8.310 7.423 -0.761 1.00 14.11 N ATOM 392 CA TYR A 28 -9.009 6.726 0.355 1.00 3.40 C ATOM 393 C TYR A 28 -8.513 7.210 1.740 1.00 44.32 C ATOM 394 O TYR A 28 -7.320 7.231 1.999 1.00 14.22 O ATOM 395 CB TYR A 28 -8.793 5.181 0.245 1.00 70.32 C ATOM 396 CG TYR A 28 -9.534 4.494 -0.919 1.00 40.11 C ATOM 397 CD1 TYR A 28 -9.012 4.488 -2.217 1.00 11.22 C ATOM 398 CD2 TYR A 28 -10.766 3.862 -0.717 1.00 35.33 C ATOM 399 CE1 TYR A 28 -9.685 3.875 -3.259 1.00 75.31 C ATOM 400 CE2 TYR A 28 -11.437 3.248 -1.756 1.00 31.13 C ATOM 401 CZ TYR A 28 -10.901 3.259 -3.024 1.00 42.02 C ATOM 402 OH TYR A 28 -11.582 2.643 -4.056 1.00 23.43 O ATOM 0 H TYR A 28 -7.298 7.463 -0.644 1.00 14.11 H new ATOM 0 HA TYR A 28 -10.069 6.963 0.269 1.00 3.40 H new ATOM 0 HB2 TYR A 28 -7.726 4.986 0.140 1.00 70.32 H new ATOM 0 HB3 TYR A 28 -9.111 4.719 1.180 1.00 70.32 H new ATOM 0 HD1 TYR A 28 -8.065 4.971 -2.409 1.00 11.22 H new ATOM 0 HD2 TYR A 28 -11.201 3.854 0.272 1.00 35.33 H new ATOM 0 HE1 TYR A 28 -9.262 3.877 -4.253 1.00 75.31 H new ATOM 0 HE2 TYR A 28 -12.383 2.759 -1.574 1.00 31.13 H new ATOM 0 HH TYR A 28 -12.417 2.261 -3.714 1.00 23.43 H new ATOM 412 N ASP A 29 -9.454 7.562 2.632 1.00 74.30 N ATOM 413 CA ASP A 29 -9.169 7.834 4.063 1.00 11.31 C ATOM 414 C ASP A 29 -9.642 6.632 4.912 1.00 40.31 C ATOM 415 O ASP A 29 -10.791 6.583 5.367 1.00 71.12 O ATOM 416 CB ASP A 29 -9.850 9.149 4.526 1.00 3.11 C ATOM 417 CG ASP A 29 -9.195 10.393 3.913 1.00 41.12 C ATOM 418 OD1 ASP A 29 -9.529 10.759 2.764 1.00 72.41 O ATOM 419 OD2 ASP A 29 -8.333 11.011 4.576 1.00 30.54 O ATOM 0 H ASP A 29 -10.438 7.668 2.387 1.00 74.30 H new ATOM 0 HA ASP A 29 -8.095 7.964 4.197 1.00 11.31 H new ATOM 0 HB2 ASP A 29 -10.905 9.125 4.252 1.00 3.11 H new ATOM 0 HB3 ASP A 29 -9.804 9.216 5.613 1.00 3.11 H new ATOM 424 N THR A 30 -8.752 5.643 5.069 1.00 51.15 N ATOM 425 CA THR A 30 -9.044 4.372 5.782 1.00 31.54 C ATOM 426 C THR A 30 -7.894 4.004 6.748 1.00 14.11 C ATOM 427 O THR A 30 -6.830 4.643 6.733 1.00 44.41 O ATOM 428 CB THR A 30 -9.300 3.208 4.752 1.00 10.34 C ATOM 429 OG1 THR A 30 -9.611 1.971 5.429 1.00 24.12 O ATOM 430 CG2 THR A 30 -8.101 2.999 3.810 1.00 51.32 C ATOM 0 H THR A 30 -7.800 5.693 4.706 1.00 51.15 H new ATOM 0 HA THR A 30 -9.948 4.514 6.374 1.00 31.54 H new ATOM 0 HB THR A 30 -10.157 3.507 4.149 1.00 10.34 H new ATOM 0 HG1 THR A 30 -9.767 1.266 4.767 1.00 24.12 H new ATOM 0 HG21 THR A 30 -8.320 2.187 3.116 1.00 51.32 H new ATOM 0 HG22 THR A 30 -7.915 3.915 3.249 1.00 51.32 H new ATOM 0 HG23 THR A 30 -7.217 2.747 4.396 1.00 51.32 H new ATOM 438 N THR A 31 -8.112 2.977 7.593 1.00 45.23 N ATOM 439 CA THR A 31 -7.072 2.478 8.516 1.00 34.30 C ATOM 440 C THR A 31 -6.035 1.650 7.725 1.00 40.24 C ATOM 441 O THR A 31 -6.324 0.531 7.291 1.00 24.21 O ATOM 442 CB THR A 31 -7.666 1.599 9.684 1.00 61.40 C ATOM 443 OG1 THR A 31 -8.884 2.183 10.178 1.00 52.22 O ATOM 444 CG2 THR A 31 -6.671 1.465 10.860 1.00 45.34 C ATOM 0 H THR A 31 -8.999 2.477 7.656 1.00 45.23 H new ATOM 0 HA THR A 31 -6.601 3.348 8.973 1.00 34.30 H new ATOM 0 HB THR A 31 -7.862 0.609 9.273 1.00 61.40 H new ATOM 0 HG1 THR A 31 -8.943 2.046 11.147 1.00 52.22 H new ATOM 0 HG21 THR A 31 -7.116 0.853 11.645 1.00 45.34 H new ATOM 0 HG22 THR A 31 -5.753 0.994 10.508 1.00 45.34 H new ATOM 0 HG23 THR A 31 -6.442 2.454 11.257 1.00 45.34 H new ATOM 452 N ALA A 32 -4.837 2.213 7.546 1.00 42.41 N ATOM 453 CA ALA A 32 -3.746 1.581 6.791 1.00 70.14 C ATOM 454 C ALA A 32 -2.764 0.920 7.784 1.00 13.03 C ATOM 455 O ALA A 32 -2.060 1.607 8.534 1.00 40.34 O ATOM 456 CB ALA A 32 -3.042 2.612 5.896 1.00 15.24 C ATOM 0 H ALA A 32 -4.593 3.128 7.924 1.00 42.41 H new ATOM 0 HA ALA A 32 -4.148 0.810 6.134 1.00 70.14 H new ATOM 0 HB1 ALA A 32 -2.237 2.126 5.345 1.00 15.24 H new ATOM 0 HB2 ALA A 32 -3.760 3.034 5.193 1.00 15.24 H new ATOM 0 HB3 ALA A 32 -2.629 3.409 6.514 1.00 15.24 H new ATOM 462 N TYR A 33 -2.738 -0.417 7.792 1.00 2.22 N ATOM 463 CA TYR A 33 -1.985 -1.206 8.786 1.00 52.41 C ATOM 464 C TYR A 33 -0.537 -1.486 8.331 1.00 25.55 C ATOM 465 O TYR A 33 -0.222 -1.513 7.136 1.00 41.11 O ATOM 466 CB TYR A 33 -2.705 -2.559 9.065 1.00 22.34 C ATOM 467 CG TYR A 33 -4.124 -2.415 9.631 1.00 14.13 C ATOM 468 CD1 TYR A 33 -4.342 -2.231 10.998 1.00 71.22 C ATOM 469 CD2 TYR A 33 -5.248 -2.457 8.802 1.00 44.30 C ATOM 470 CE1 TYR A 33 -5.618 -2.100 11.511 1.00 11.52 C ATOM 471 CE2 TYR A 33 -6.521 -2.329 9.320 1.00 44.34 C ATOM 472 CZ TYR A 33 -6.703 -2.148 10.669 1.00 32.20 C ATOM 473 OH TYR A 33 -7.981 -2.013 11.178 1.00 44.20 O ATOM 0 H TYR A 33 -3.238 -0.988 7.110 1.00 2.22 H new ATOM 0 HA TYR A 33 -1.945 -0.611 9.698 1.00 52.41 H new ATOM 0 HB2 TYR A 33 -2.753 -3.130 8.138 1.00 22.34 H new ATOM 0 HB3 TYR A 33 -2.104 -3.139 9.766 1.00 22.34 H new ATOM 0 HD1 TYR A 33 -3.496 -2.190 11.668 1.00 71.22 H new ATOM 0 HD2 TYR A 33 -5.119 -2.592 7.738 1.00 44.30 H new ATOM 0 HE1 TYR A 33 -5.763 -1.960 12.572 1.00 11.52 H new ATOM 0 HE2 TYR A 33 -7.377 -2.371 8.662 1.00 44.34 H new ATOM 0 HH TYR A 33 -8.560 -1.600 10.504 1.00 44.20 H new ATOM 483 N VAL A 34 0.338 -1.642 9.324 1.00 62.12 N ATOM 484 CA VAL A 34 1.678 -2.221 9.157 1.00 15.45 C ATOM 485 C VAL A 34 1.601 -3.688 9.612 1.00 23.32 C ATOM 486 O VAL A 34 1.215 -3.948 10.754 1.00 53.51 O ATOM 487 CB VAL A 34 2.739 -1.443 10.019 1.00 74.12 C ATOM 488 CG1 VAL A 34 4.170 -1.969 9.772 1.00 24.02 C ATOM 489 CG2 VAL A 34 2.650 0.073 9.752 1.00 4.12 C ATOM 0 H VAL A 34 0.136 -1.366 10.285 1.00 62.12 H new ATOM 0 HA VAL A 34 1.991 -2.150 8.115 1.00 15.45 H new ATOM 0 HB VAL A 34 2.507 -1.619 11.069 1.00 74.12 H new ATOM 0 HG11 VAL A 34 4.875 -1.407 10.385 1.00 24.02 H new ATOM 0 HG12 VAL A 34 4.220 -3.025 10.037 1.00 24.02 H new ATOM 0 HG13 VAL A 34 4.426 -1.846 8.720 1.00 24.02 H new ATOM 0 HG21 VAL A 34 3.392 0.593 10.358 1.00 4.12 H new ATOM 0 HG22 VAL A 34 2.841 0.268 8.697 1.00 4.12 H new ATOM 0 HG23 VAL A 34 1.654 0.430 10.012 1.00 4.12 H new ATOM 499 N VAL A 35 1.911 -4.648 8.720 1.00 64.01 N ATOM 500 CA VAL A 35 1.778 -6.097 9.032 1.00 33.22 C ATOM 501 C VAL A 35 3.088 -6.882 8.788 1.00 73.32 C ATOM 502 O VAL A 35 3.896 -6.535 7.923 1.00 45.24 O ATOM 503 CB VAL A 35 0.591 -6.767 8.225 1.00 0.23 C ATOM 504 CG1 VAL A 35 -0.789 -6.229 8.697 1.00 73.24 C ATOM 505 CG2 VAL A 35 0.768 -6.574 6.694 1.00 60.25 C ATOM 0 H VAL A 35 2.255 -4.455 7.779 1.00 64.01 H new ATOM 0 HA VAL A 35 1.551 -6.149 10.097 1.00 33.22 H new ATOM 0 HB VAL A 35 0.620 -7.837 8.432 1.00 0.23 H new ATOM 0 HG11 VAL A 35 -1.582 -6.709 8.123 1.00 73.24 H new ATOM 0 HG12 VAL A 35 -0.923 -6.450 9.756 1.00 73.24 H new ATOM 0 HG13 VAL A 35 -0.831 -5.151 8.543 1.00 73.24 H new ATOM 0 HG21 VAL A 35 -0.063 -7.045 6.169 1.00 60.25 H new ATOM 0 HG22 VAL A 35 0.787 -5.509 6.461 1.00 60.25 H new ATOM 0 HG23 VAL A 35 1.705 -7.032 6.375 1.00 60.25 H new ATOM 515 N SER A 36 3.287 -7.935 9.598 1.00 12.34 N ATOM 516 CA SER A 36 4.364 -8.929 9.419 1.00 54.45 C ATOM 517 C SER A 36 3.737 -10.306 9.124 1.00 52.44 C ATOM 518 O SER A 36 2.909 -10.793 9.899 1.00 3.33 O ATOM 519 CB SER A 36 5.253 -8.997 10.686 1.00 3.11 C ATOM 520 OG SER A 36 4.501 -9.340 11.841 1.00 2.14 O ATOM 0 H SER A 36 2.697 -8.124 10.408 1.00 12.34 H new ATOM 0 HA SER A 36 4.995 -8.633 8.581 1.00 54.45 H new ATOM 0 HB2 SER A 36 6.044 -9.732 10.536 1.00 3.11 H new ATOM 0 HB3 SER A 36 5.738 -8.034 10.841 1.00 3.11 H new ATOM 0 HG SER A 36 5.095 -9.375 12.620 1.00 2.14 H new ATOM 526 N TYR A 37 4.132 -10.933 8.010 1.00 35.12 N ATOM 527 CA TYR A 37 3.526 -12.206 7.547 1.00 12.44 C ATOM 528 C TYR A 37 4.538 -13.023 6.731 1.00 32.51 C ATOM 529 O TYR A 37 5.467 -12.466 6.135 1.00 65.15 O ATOM 530 CB TYR A 37 2.238 -11.943 6.701 1.00 74.24 C ATOM 531 CG TYR A 37 2.459 -11.112 5.421 1.00 1.41 C ATOM 532 CD1 TYR A 37 2.474 -9.716 5.463 1.00 42.11 C ATOM 533 CD2 TYR A 37 2.664 -11.723 4.175 1.00 61.34 C ATOM 534 CE1 TYR A 37 2.683 -8.967 4.325 1.00 3.21 C ATOM 535 CE2 TYR A 37 2.879 -10.972 3.036 1.00 72.24 C ATOM 536 CZ TYR A 37 2.885 -9.595 3.118 1.00 0.13 C ATOM 537 OH TYR A 37 3.104 -8.839 1.988 1.00 22.54 O ATOM 0 H TYR A 37 4.873 -10.584 7.403 1.00 35.12 H new ATOM 0 HA TYR A 37 3.243 -12.779 8.430 1.00 12.44 H new ATOM 0 HB2 TYR A 37 1.802 -12.902 6.423 1.00 74.24 H new ATOM 0 HB3 TYR A 37 1.508 -11.431 7.328 1.00 74.24 H new ATOM 0 HD1 TYR A 37 2.319 -9.213 6.406 1.00 42.11 H new ATOM 0 HD2 TYR A 37 2.654 -12.801 4.105 1.00 61.34 H new ATOM 0 HE1 TYR A 37 2.688 -7.888 4.381 1.00 3.21 H new ATOM 0 HE2 TYR A 37 3.042 -11.460 2.086 1.00 72.24 H new ATOM 0 HH TYR A 37 3.684 -8.081 2.209 1.00 22.54 H new ATOM 547 N THR A 38 4.327 -14.343 6.675 1.00 4.13 N ATOM 548 CA THR A 38 5.187 -15.263 5.906 1.00 21.23 C ATOM 549 C THR A 38 4.371 -15.856 4.728 1.00 51.41 C ATOM 550 O THR A 38 3.423 -16.616 4.969 1.00 12.30 O ATOM 551 CB THR A 38 5.763 -16.416 6.803 1.00 2.22 C ATOM 552 OG1 THR A 38 6.312 -15.868 8.014 1.00 52.52 O ATOM 553 CG2 THR A 38 6.857 -17.217 6.064 1.00 72.05 C ATOM 0 H THR A 38 3.558 -14.807 7.159 1.00 4.13 H new ATOM 0 HA THR A 38 6.037 -14.698 5.525 1.00 21.23 H new ATOM 0 HB THR A 38 4.942 -17.093 7.039 1.00 2.22 H new ATOM 0 HG1 THR A 38 6.668 -16.593 8.569 1.00 52.52 H new ATOM 0 HG21 THR A 38 7.232 -18.006 6.715 1.00 72.05 H new ATOM 0 HG22 THR A 38 6.436 -17.661 5.162 1.00 72.05 H new ATOM 0 HG23 THR A 38 7.676 -16.550 5.793 1.00 72.05 H new ATOM 561 N PRO A 39 4.694 -15.479 3.437 1.00 41.34 N ATOM 562 CA PRO A 39 4.002 -16.017 2.231 1.00 31.14 C ATOM 563 C PRO A 39 3.982 -17.578 2.191 1.00 32.12 C ATOM 564 O PRO A 39 5.036 -18.228 2.156 1.00 2.55 O ATOM 565 CB PRO A 39 4.800 -15.400 1.034 1.00 64.24 C ATOM 566 CG PRO A 39 6.051 -14.827 1.635 1.00 12.11 C ATOM 567 CD PRO A 39 5.717 -14.471 3.065 1.00 13.01 C ATOM 0 HA PRO A 39 2.946 -15.748 2.211 1.00 31.14 H new ATOM 0 HB2 PRO A 39 5.036 -16.159 0.288 1.00 64.24 H new ATOM 0 HB3 PRO A 39 4.218 -14.628 0.531 1.00 64.24 H new ATOM 0 HG2 PRO A 39 6.866 -15.549 1.596 1.00 12.11 H new ATOM 0 HG3 PRO A 39 6.378 -13.946 1.082 1.00 12.11 H new ATOM 0 HD2 PRO A 39 6.594 -14.531 3.710 1.00 13.01 H new ATOM 0 HD3 PRO A 39 5.330 -13.455 3.147 1.00 13.01 H new ATOM 575 N THR A 40 2.756 -18.146 2.207 1.00 75.20 N ATOM 576 CA THR A 40 2.500 -19.611 2.315 1.00 41.34 C ATOM 577 C THR A 40 3.020 -20.422 1.103 1.00 34.44 C ATOM 578 O THR A 40 3.162 -21.645 1.186 1.00 12.22 O ATOM 579 CB THR A 40 0.972 -19.885 2.491 1.00 12.33 C ATOM 580 OG1 THR A 40 0.255 -19.327 1.375 1.00 0.44 O ATOM 581 CG2 THR A 40 0.428 -19.289 3.804 1.00 34.15 C ATOM 0 H THR A 40 1.899 -17.596 2.145 1.00 75.20 H new ATOM 0 HA THR A 40 3.055 -19.945 3.191 1.00 41.34 H new ATOM 0 HB THR A 40 0.828 -20.965 2.532 1.00 12.33 H new ATOM 0 HG1 THR A 40 -0.704 -19.499 1.483 1.00 0.44 H new ATOM 0 HG21 THR A 40 -0.638 -19.502 3.886 1.00 34.15 H new ATOM 0 HG22 THR A 40 0.953 -19.732 4.650 1.00 34.15 H new ATOM 0 HG23 THR A 40 0.583 -18.210 3.806 1.00 34.15 H new ATOM 589 N ASN A 41 3.296 -19.732 -0.021 1.00 13.41 N ATOM 590 CA ASN A 41 3.915 -20.337 -1.227 1.00 31.44 C ATOM 591 C ASN A 41 5.399 -20.782 -0.980 1.00 54.13 C ATOM 592 O ASN A 41 5.985 -21.507 -1.792 1.00 60.30 O ATOM 593 CB ASN A 41 3.812 -19.318 -2.400 1.00 44.03 C ATOM 594 CG ASN A 41 4.274 -19.871 -3.750 1.00 44.41 C ATOM 595 OD1 ASN A 41 3.505 -20.483 -4.479 1.00 74.42 O ATOM 596 ND2 ASN A 41 5.528 -19.649 -4.098 1.00 43.22 N ATOM 0 H ASN A 41 3.097 -18.737 -0.123 1.00 13.41 H new ATOM 0 HA ASN A 41 3.373 -21.248 -1.481 1.00 31.44 H new ATOM 0 HB2 ASN A 41 2.777 -18.987 -2.490 1.00 44.03 H new ATOM 0 HB3 ASN A 41 4.408 -18.438 -2.157 1.00 44.03 H new ATOM 0 HD21 ASN A 41 5.877 -19.991 -4.994 1.00 43.22 H new ATOM 0 HD22 ASN A 41 6.148 -19.136 -3.471 1.00 43.22 H new ATOM 603 N GLY A 42 5.974 -20.380 0.172 1.00 62.44 N ATOM 604 CA GLY A 42 7.382 -20.662 0.498 1.00 23.33 C ATOM 605 C GLY A 42 8.320 -19.524 0.097 1.00 42.51 C ATOM 606 O GLY A 42 9.322 -19.743 -0.594 1.00 64.14 O ATOM 0 H GLY A 42 5.479 -19.856 0.894 1.00 62.44 H new ATOM 0 HA2 GLY A 42 7.474 -20.842 1.569 1.00 23.33 H new ATOM 0 HA3 GLY A 42 7.691 -21.577 -0.007 1.00 23.33 H new ATOM 610 N GLY A 43 7.976 -18.296 0.528 1.00 45.13 N ATOM 611 CA GLY A 43 8.791 -17.106 0.245 1.00 3.31 C ATOM 612 C GLY A 43 9.600 -16.618 1.456 1.00 22.55 C ATOM 613 O GLY A 43 9.982 -17.411 2.327 1.00 41.24 O ATOM 0 H GLY A 43 7.136 -18.105 1.075 1.00 45.13 H new ATOM 0 HA2 GLY A 43 9.475 -17.330 -0.573 1.00 3.31 H new ATOM 0 HA3 GLY A 43 8.139 -16.301 -0.095 1.00 3.31 H new ATOM 617 N GLN A 44 9.861 -15.300 1.495 1.00 55.14 N ATOM 618 CA GLN A 44 10.575 -14.634 2.613 1.00 54.31 C ATOM 619 C GLN A 44 9.570 -13.823 3.461 1.00 14.12 C ATOM 620 O GLN A 44 8.713 -13.124 2.904 1.00 33.33 O ATOM 621 CB GLN A 44 11.715 -13.715 2.067 1.00 3.34 C ATOM 622 CG GLN A 44 11.265 -12.645 1.040 1.00 32.32 C ATOM 623 CD GLN A 44 12.401 -11.749 0.533 1.00 3.22 C ATOM 624 OE1 GLN A 44 13.557 -12.154 0.466 1.00 51.22 O ATOM 625 NE2 GLN A 44 12.079 -10.523 0.165 1.00 72.31 N ATOM 0 H GLN A 44 9.584 -14.659 0.752 1.00 55.14 H new ATOM 0 HA GLN A 44 11.035 -15.393 3.246 1.00 54.31 H new ATOM 0 HB2 GLN A 44 12.188 -13.211 2.910 1.00 3.34 H new ATOM 0 HB3 GLN A 44 12.476 -14.343 1.604 1.00 3.34 H new ATOM 0 HG2 GLN A 44 10.803 -13.145 0.189 1.00 32.32 H new ATOM 0 HG3 GLN A 44 10.498 -12.019 1.496 1.00 32.32 H new ATOM 0 HE21 GLN A 44 11.111 -10.209 0.230 1.00 72.31 H new ATOM 0 HE22 GLN A 44 12.798 -9.890 -0.184 1.00 72.31 H new ATOM 634 N ARG A 45 9.652 -13.954 4.806 1.00 64.33 N ATOM 635 CA ARG A 45 8.764 -13.226 5.741 1.00 33.44 C ATOM 636 C ARG A 45 8.905 -11.694 5.569 1.00 53.14 C ATOM 637 O ARG A 45 9.985 -11.131 5.783 1.00 12.14 O ATOM 638 CB ARG A 45 9.067 -13.595 7.216 1.00 22.31 C ATOM 639 CG ARG A 45 8.120 -12.917 8.250 1.00 32.53 C ATOM 640 CD ARG A 45 8.682 -12.937 9.681 1.00 43.52 C ATOM 641 NE ARG A 45 9.954 -12.192 9.769 1.00 24.25 N ATOM 642 CZ ARG A 45 10.881 -12.343 10.683 1.00 4.21 C ATOM 643 NH1 ARG A 45 10.770 -13.216 11.631 1.00 73.15 N ATOM 644 NH2 ARG A 45 11.924 -11.584 10.641 1.00 42.13 N ATOM 0 H ARG A 45 10.328 -14.561 5.269 1.00 64.33 H new ATOM 0 HA ARG A 45 7.744 -13.525 5.501 1.00 33.44 H new ATOM 0 HB2 ARG A 45 8.997 -14.677 7.330 1.00 22.31 H new ATOM 0 HB3 ARG A 45 10.096 -13.316 7.445 1.00 22.31 H new ATOM 0 HG2 ARG A 45 7.942 -11.884 7.950 1.00 32.53 H new ATOM 0 HG3 ARG A 45 7.155 -13.423 8.237 1.00 32.53 H new ATOM 0 HD2 ARG A 45 7.955 -12.501 10.366 1.00 43.52 H new ATOM 0 HD3 ARG A 45 8.839 -13.968 9.998 1.00 43.52 H new ATOM 0 HE ARG A 45 10.128 -11.492 9.048 1.00 24.25 H new ATOM 0 HH11 ARG A 45 9.943 -13.811 11.682 1.00 73.15 H new ATOM 0 HH12 ARG A 45 11.509 -13.309 12.328 1.00 73.15 H new ATOM 0 HH21 ARG A 45 12.015 -10.883 9.906 1.00 42.13 H new ATOM 0 HH22 ARG A 45 12.657 -11.685 11.343 1.00 42.13 H new ATOM 658 N VAL A 46 7.800 -11.047 5.197 1.00 51.21 N ATOM 659 CA VAL A 46 7.759 -9.602 4.942 1.00 53.22 C ATOM 660 C VAL A 46 7.563 -8.821 6.262 1.00 22.05 C ATOM 661 O VAL A 46 6.493 -8.884 6.883 1.00 2.10 O ATOM 662 CB VAL A 46 6.625 -9.260 3.917 1.00 53.13 C ATOM 663 CG1 VAL A 46 6.629 -7.761 3.525 1.00 60.31 C ATOM 664 CG2 VAL A 46 6.731 -10.167 2.669 1.00 10.34 C ATOM 0 H VAL A 46 6.902 -11.511 5.063 1.00 51.21 H new ATOM 0 HA VAL A 46 8.713 -9.300 4.510 1.00 53.22 H new ATOM 0 HB VAL A 46 5.670 -9.455 4.404 1.00 53.13 H new ATOM 0 HG11 VAL A 46 5.826 -7.569 2.813 1.00 60.31 H new ATOM 0 HG12 VAL A 46 6.477 -7.152 4.416 1.00 60.31 H new ATOM 0 HG13 VAL A 46 7.586 -7.506 3.070 1.00 60.31 H new ATOM 0 HG21 VAL A 46 5.935 -9.915 1.968 1.00 10.34 H new ATOM 0 HG22 VAL A 46 7.698 -10.015 2.190 1.00 10.34 H new ATOM 0 HG23 VAL A 46 6.634 -11.211 2.968 1.00 10.34 H new ATOM 674 N ASP A 47 8.618 -8.105 6.679 1.00 64.13 N ATOM 675 CA ASP A 47 8.642 -7.327 7.933 1.00 41.34 C ATOM 676 C ASP A 47 8.284 -5.847 7.667 1.00 12.41 C ATOM 677 O ASP A 47 8.874 -5.218 6.775 1.00 34.00 O ATOM 678 CB ASP A 47 10.036 -7.435 8.595 1.00 11.10 C ATOM 679 CG ASP A 47 10.323 -8.852 9.099 1.00 43.01 C ATOM 680 OD1 ASP A 47 9.801 -9.214 10.176 1.00 72.30 O ATOM 681 OD2 ASP A 47 11.053 -9.615 8.428 1.00 23.32 O ATOM 0 H ASP A 47 9.489 -8.047 6.152 1.00 64.13 H new ATOM 0 HA ASP A 47 7.895 -7.739 8.612 1.00 41.34 H new ATOM 0 HB2 ASP A 47 10.802 -7.144 7.877 1.00 11.10 H new ATOM 0 HB3 ASP A 47 10.097 -6.735 9.428 1.00 11.10 H new ATOM 686 N HIS A 48 7.339 -5.305 8.468 1.00 74.42 N ATOM 687 CA HIS A 48 6.845 -3.912 8.345 1.00 43.00 C ATOM 688 C HIS A 48 6.339 -3.581 6.905 1.00 64.34 C ATOM 689 O HIS A 48 6.838 -2.659 6.243 1.00 61.55 O ATOM 690 CB HIS A 48 7.920 -2.883 8.839 1.00 71.05 C ATOM 691 CG HIS A 48 8.164 -2.869 10.331 1.00 44.54 C ATOM 692 ND1 HIS A 48 8.505 -1.725 11.027 1.00 72.41 N ATOM 693 CD2 HIS A 48 8.114 -3.854 11.258 1.00 72.51 C ATOM 694 CE1 HIS A 48 8.648 -2.012 12.304 1.00 62.42 C ATOM 695 NE2 HIS A 48 8.416 -3.295 12.472 1.00 1.43 N ATOM 0 H HIS A 48 6.894 -5.825 9.224 1.00 74.42 H new ATOM 0 HA HIS A 48 5.978 -3.823 8.999 1.00 43.00 H new ATOM 0 HB2 HIS A 48 8.863 -3.098 8.335 1.00 71.05 H new ATOM 0 HB3 HIS A 48 7.613 -1.884 8.528 1.00 71.05 H new ATOM 0 HD2 HIS A 48 7.879 -4.892 11.074 1.00 72.51 H new ATOM 0 HE1 HIS A 48 8.912 -1.311 13.082 1.00 62.42 H new ATOM 0 HE2 HIS A 48 8.455 -3.793 13.361 1.00 1.43 H new ATOM 704 N HIS A 49 5.351 -4.364 6.432 1.00 25.35 N ATOM 705 CA HIS A 49 4.761 -4.196 5.083 1.00 60.21 C ATOM 706 C HIS A 49 3.856 -2.941 5.013 1.00 72.11 C ATOM 707 O HIS A 49 2.938 -2.774 5.826 1.00 65.31 O ATOM 708 CB HIS A 49 3.951 -5.462 4.685 1.00 33.12 C ATOM 709 CG HIS A 49 3.415 -5.444 3.263 1.00 3.24 C ATOM 710 ND1 HIS A 49 4.185 -5.844 2.197 1.00 64.11 N ATOM 711 CD2 HIS A 49 2.198 -5.074 2.798 1.00 71.35 C ATOM 712 CE1 HIS A 49 3.428 -5.706 1.122 1.00 0.52 C ATOM 713 NE2 HIS A 49 2.216 -5.244 1.437 1.00 51.50 N ATOM 0 H HIS A 49 4.939 -5.128 6.968 1.00 25.35 H new ATOM 0 HA HIS A 49 5.580 -4.060 4.377 1.00 60.21 H new ATOM 0 HB2 HIS A 49 4.586 -6.339 4.810 1.00 33.12 H new ATOM 0 HB3 HIS A 49 3.114 -5.574 5.374 1.00 33.12 H new ATOM 0 HD2 HIS A 49 1.369 -4.713 3.388 1.00 71.35 H new ATOM 0 HE1 HIS A 49 3.749 -5.938 0.117 1.00 0.52 H new ATOM 0 HE2 HIS A 49 1.451 -5.054 0.790 1.00 51.50 H new ATOM 721 N LYS A 50 4.137 -2.065 4.029 1.00 41.43 N ATOM 722 CA LYS A 50 3.318 -0.878 3.708 1.00 12.41 C ATOM 723 C LYS A 50 3.041 -0.828 2.170 1.00 43.32 C ATOM 724 O LYS A 50 3.938 -1.117 1.379 1.00 43.14 O ATOM 725 CB LYS A 50 4.041 0.435 4.151 1.00 32.43 C ATOM 726 CG LYS A 50 4.105 0.684 5.681 1.00 72.25 C ATOM 727 CD LYS A 50 4.893 1.978 6.025 1.00 33.11 C ATOM 728 CE LYS A 50 4.950 2.279 7.536 1.00 64.42 C ATOM 729 NZ LYS A 50 3.638 2.724 8.080 1.00 1.41 N ATOM 0 H LYS A 50 4.953 -2.163 3.424 1.00 41.43 H new ATOM 0 HA LYS A 50 2.375 -0.955 4.250 1.00 12.41 H new ATOM 0 HB2 LYS A 50 5.059 0.417 3.762 1.00 32.43 H new ATOM 0 HB3 LYS A 50 3.536 1.281 3.684 1.00 32.43 H new ATOM 0 HG2 LYS A 50 3.093 0.758 6.079 1.00 72.25 H new ATOM 0 HG3 LYS A 50 4.577 -0.169 6.168 1.00 72.25 H new ATOM 0 HD2 LYS A 50 5.909 1.888 5.642 1.00 33.11 H new ATOM 0 HD3 LYS A 50 4.432 2.822 5.511 1.00 33.11 H new ATOM 0 HE2 LYS A 50 5.276 1.386 8.069 1.00 64.42 H new ATOM 0 HE3 LYS A 50 5.697 3.051 7.721 1.00 64.42 H new ATOM 0 HZ1 LYS A 50 3.656 2.669 9.118 1.00 1.41 H new ATOM 0 HZ2 LYS A 50 3.456 3.706 7.788 1.00 1.41 H new ATOM 0 HZ3 LYS A 50 2.884 2.109 7.714 1.00 1.41 H new ATOM 743 N TRP A 51 1.814 -0.467 1.717 1.00 43.32 N ATOM 744 CA TRP A 51 0.620 -0.217 2.568 1.00 52.21 C ATOM 745 C TRP A 51 -0.489 -1.268 2.312 1.00 15.33 C ATOM 746 O TRP A 51 -0.819 -1.566 1.163 1.00 74.32 O ATOM 747 CB TRP A 51 0.059 1.213 2.302 1.00 0.35 C ATOM 748 CG TRP A 51 1.037 2.334 2.598 1.00 62.54 C ATOM 749 CD1 TRP A 51 1.921 2.916 1.729 1.00 23.21 C ATOM 750 CD2 TRP A 51 1.226 2.996 3.853 1.00 44.53 C ATOM 751 NE1 TRP A 51 2.634 3.894 2.363 1.00 52.11 N ATOM 752 CE2 TRP A 51 2.228 3.965 3.667 1.00 35.14 C ATOM 753 CE3 TRP A 51 0.635 2.871 5.115 1.00 52.12 C ATOM 754 CZ2 TRP A 51 2.663 4.794 4.695 1.00 41.32 C ATOM 755 CZ3 TRP A 51 1.064 3.696 6.135 1.00 2.51 C ATOM 756 CH2 TRP A 51 2.069 4.650 5.916 1.00 1.12 C ATOM 0 H TRP A 51 1.621 -0.338 0.724 1.00 43.32 H new ATOM 0 HA TRP A 51 0.933 -0.298 3.609 1.00 52.21 H new ATOM 0 HB2 TRP A 51 -0.248 1.281 1.258 1.00 0.35 H new ATOM 0 HB3 TRP A 51 -0.835 1.358 2.908 1.00 0.35 H new ATOM 0 HD1 TRP A 51 2.038 2.641 0.691 1.00 23.21 H new ATOM 0 HE1 TRP A 51 3.353 4.477 1.933 1.00 52.11 H new ATOM 0 HE3 TRP A 51 -0.143 2.142 5.288 1.00 52.12 H new ATOM 0 HZ2 TRP A 51 3.442 5.525 4.534 1.00 41.32 H new ATOM 0 HZ3 TRP A 51 0.620 3.606 7.115 1.00 2.51 H new ATOM 0 HH2 TRP A 51 2.380 5.285 6.732 1.00 1.12 H new ATOM 767 N VAL A 52 -1.050 -1.807 3.405 1.00 32.31 N ATOM 768 CA VAL A 52 -2.295 -2.616 3.376 1.00 62.44 C ATOM 769 C VAL A 52 -3.413 -1.813 4.056 1.00 41.43 C ATOM 770 O VAL A 52 -3.164 -1.108 5.035 1.00 42.11 O ATOM 771 CB VAL A 52 -2.160 -4.036 4.061 1.00 3.32 C ATOM 772 CG1 VAL A 52 -1.284 -4.988 3.216 1.00 3.44 C ATOM 773 CG2 VAL A 52 -1.630 -3.928 5.512 1.00 45.15 C ATOM 0 H VAL A 52 -0.658 -1.698 4.340 1.00 32.31 H new ATOM 0 HA VAL A 52 -2.524 -2.815 2.329 1.00 62.44 H new ATOM 0 HB VAL A 52 -3.162 -4.463 4.113 1.00 3.32 H new ATOM 0 HG11 VAL A 52 -1.212 -5.955 3.715 1.00 3.44 H new ATOM 0 HG12 VAL A 52 -1.735 -5.120 2.232 1.00 3.44 H new ATOM 0 HG13 VAL A 52 -0.287 -4.562 3.104 1.00 3.44 H new ATOM 0 HG21 VAL A 52 -1.552 -4.925 5.946 1.00 45.15 H new ATOM 0 HG22 VAL A 52 -0.647 -3.457 5.506 1.00 45.15 H new ATOM 0 HG23 VAL A 52 -2.317 -3.326 6.107 1.00 45.15 H new ATOM 783 N ILE A 53 -4.639 -1.896 3.527 1.00 3.32 N ATOM 784 CA ILE A 53 -5.783 -1.123 4.068 1.00 2.21 C ATOM 785 C ILE A 53 -6.776 -2.042 4.817 1.00 32.33 C ATOM 786 O ILE A 53 -6.739 -3.272 4.668 1.00 2.31 O ATOM 787 CB ILE A 53 -6.513 -0.300 2.940 1.00 34.35 C ATOM 788 CG1 ILE A 53 -7.236 -1.233 1.918 1.00 1.34 C ATOM 789 CG2 ILE A 53 -5.508 0.635 2.216 1.00 34.23 C ATOM 790 CD1 ILE A 53 -7.997 -0.519 0.816 1.00 52.41 C ATOM 0 H ILE A 53 -4.873 -2.486 2.728 1.00 3.32 H new ATOM 0 HA ILE A 53 -5.381 -0.409 4.786 1.00 2.21 H new ATOM 0 HB ILE A 53 -7.278 0.311 3.419 1.00 34.35 H new ATOM 0 HG12 ILE A 53 -6.494 -1.887 1.460 1.00 1.34 H new ATOM 0 HG13 ILE A 53 -7.931 -1.872 2.463 1.00 1.34 H new ATOM 0 HG21 ILE A 53 -6.028 1.197 1.440 1.00 34.23 H new ATOM 0 HG22 ILE A 53 -5.073 1.328 2.936 1.00 34.23 H new ATOM 0 HG23 ILE A 53 -4.717 0.038 1.763 1.00 34.23 H new ATOM 0 HD11 ILE A 53 -8.463 -1.254 0.160 1.00 52.41 H new ATOM 0 HD12 ILE A 53 -8.768 0.113 1.257 1.00 52.41 H new ATOM 0 HD13 ILE A 53 -7.308 0.098 0.239 1.00 52.41 H new ATOM 802 N GLN A 54 -7.627 -1.425 5.653 1.00 5.14 N ATOM 803 CA GLN A 54 -8.650 -2.125 6.467 1.00 42.24 C ATOM 804 C GLN A 54 -9.555 -3.072 5.640 1.00 62.21 C ATOM 805 O GLN A 54 -9.722 -4.243 5.981 1.00 24.52 O ATOM 806 CB GLN A 54 -9.500 -1.064 7.215 1.00 72.40 C ATOM 807 CG GLN A 54 -10.534 -1.628 8.206 1.00 73.34 C ATOM 808 CD GLN A 54 -11.271 -0.542 8.997 1.00 60.05 C ATOM 809 OE1 GLN A 54 -11.472 0.572 8.523 1.00 31.20 O ATOM 810 NE2 GLN A 54 -11.670 -0.854 10.208 1.00 1.34 N ATOM 0 H GLN A 54 -7.629 -0.414 5.788 1.00 5.14 H new ATOM 0 HA GLN A 54 -8.128 -2.768 7.176 1.00 42.24 H new ATOM 0 HB2 GLN A 54 -8.827 -0.400 7.757 1.00 72.40 H new ATOM 0 HB3 GLN A 54 -10.023 -0.455 6.477 1.00 72.40 H new ATOM 0 HG2 GLN A 54 -11.262 -2.227 7.659 1.00 73.34 H new ATOM 0 HG3 GLN A 54 -10.031 -2.297 8.904 1.00 73.34 H new ATOM 0 HE21 GLN A 54 -11.491 -1.787 10.579 1.00 1.34 H new ATOM 0 HE22 GLN A 54 -12.159 -0.164 10.778 1.00 1.34 H new ATOM 819 N GLU A 55 -10.072 -2.565 4.515 1.00 54.15 N ATOM 820 CA GLU A 55 -11.061 -3.286 3.667 1.00 70.01 C ATOM 821 C GLU A 55 -10.402 -4.424 2.838 1.00 13.21 C ATOM 822 O GLU A 55 -11.090 -5.223 2.200 1.00 73.51 O ATOM 823 CB GLU A 55 -11.740 -2.248 2.735 1.00 72.43 C ATOM 824 CG GLU A 55 -12.332 -1.030 3.485 1.00 13.33 C ATOM 825 CD GLU A 55 -12.764 0.100 2.541 1.00 64.40 C ATOM 826 OE1 GLU A 55 -11.878 0.814 2.017 1.00 21.45 O ATOM 827 OE2 GLU A 55 -13.983 0.285 2.317 1.00 73.33 O ATOM 0 H GLU A 55 -9.824 -1.643 4.156 1.00 54.15 H new ATOM 0 HA GLU A 55 -11.801 -3.765 4.309 1.00 70.01 H new ATOM 0 HB2 GLU A 55 -11.010 -1.895 2.007 1.00 72.43 H new ATOM 0 HB3 GLU A 55 -12.535 -2.741 2.176 1.00 72.43 H new ATOM 0 HG2 GLU A 55 -13.191 -1.354 4.073 1.00 13.33 H new ATOM 0 HG3 GLU A 55 -11.591 -0.647 4.187 1.00 13.33 H new ATOM 834 N GLU A 56 -9.062 -4.476 2.873 1.00 35.30 N ATOM 835 CA GLU A 56 -8.235 -5.477 2.160 1.00 35.04 C ATOM 836 C GLU A 56 -7.973 -6.728 3.060 1.00 32.21 C ATOM 837 O GLU A 56 -7.477 -7.766 2.597 1.00 41.23 O ATOM 838 CB GLU A 56 -6.930 -4.746 1.748 1.00 32.12 C ATOM 839 CG GLU A 56 -5.983 -5.490 0.806 1.00 52.10 C ATOM 840 CD GLU A 56 -4.870 -4.577 0.267 1.00 40.04 C ATOM 841 OE1 GLU A 56 -3.886 -4.345 0.986 1.00 10.32 O ATOM 842 OE2 GLU A 56 -4.996 -4.051 -0.866 1.00 24.11 O ATOM 0 H GLU A 56 -8.505 -3.810 3.409 1.00 35.30 H new ATOM 0 HA GLU A 56 -8.739 -5.865 1.275 1.00 35.04 H new ATOM 0 HB2 GLU A 56 -7.205 -3.803 1.276 1.00 32.12 H new ATOM 0 HB3 GLU A 56 -6.379 -4.499 2.656 1.00 32.12 H new ATOM 0 HG2 GLU A 56 -5.536 -6.333 1.333 1.00 52.10 H new ATOM 0 HG3 GLU A 56 -6.551 -5.900 -0.029 1.00 52.10 H new ATOM 849 N ILE A 57 -8.362 -6.614 4.350 1.00 73.24 N ATOM 850 CA ILE A 57 -8.240 -7.690 5.362 1.00 73.12 C ATOM 851 C ILE A 57 -9.623 -8.366 5.602 1.00 61.15 C ATOM 852 O ILE A 57 -10.658 -7.692 5.616 1.00 70.11 O ATOM 853 CB ILE A 57 -7.673 -7.120 6.722 1.00 25.45 C ATOM 854 CG1 ILE A 57 -6.263 -6.462 6.497 1.00 31.15 C ATOM 855 CG2 ILE A 57 -7.612 -8.220 7.817 1.00 3.11 C ATOM 856 CD1 ILE A 57 -5.590 -5.918 7.752 1.00 4.00 C ATOM 0 H ILE A 57 -8.776 -5.760 4.724 1.00 73.24 H new ATOM 0 HA ILE A 57 -7.542 -8.436 4.983 1.00 73.12 H new ATOM 0 HB ILE A 57 -8.357 -6.349 7.076 1.00 25.45 H new ATOM 0 HG12 ILE A 57 -5.604 -7.202 6.043 1.00 31.15 H new ATOM 0 HG13 ILE A 57 -6.371 -5.648 5.780 1.00 31.15 H new ATOM 0 HG21 ILE A 57 -7.217 -7.794 8.739 1.00 3.11 H new ATOM 0 HG22 ILE A 57 -8.614 -8.610 7.997 1.00 3.11 H new ATOM 0 HG23 ILE A 57 -6.962 -9.029 7.484 1.00 3.11 H new ATOM 0 HD11 ILE A 57 -4.625 -5.486 7.489 1.00 4.00 H new ATOM 0 HD12 ILE A 57 -6.221 -5.150 8.200 1.00 4.00 H new ATOM 0 HD13 ILE A 57 -5.442 -6.728 8.466 1.00 4.00 H new ATOM 868 N LYS A 58 -9.604 -9.699 5.796 1.00 35.43 N ATOM 869 CA LYS A 58 -10.817 -10.530 6.007 1.00 33.22 C ATOM 870 C LYS A 58 -11.584 -10.164 7.308 1.00 63.34 C ATOM 871 O LYS A 58 -12.798 -9.939 7.295 1.00 43.33 O ATOM 872 CB LYS A 58 -10.399 -12.030 6.062 1.00 14.01 C ATOM 873 CG LYS A 58 -11.578 -13.030 6.034 1.00 23.35 C ATOM 874 CD LYS A 58 -11.130 -14.501 6.199 1.00 10.22 C ATOM 875 CE LYS A 58 -12.260 -15.508 5.902 1.00 53.22 C ATOM 876 NZ LYS A 58 -13.496 -15.237 6.686 1.00 70.40 N ATOM 0 H LYS A 58 -8.739 -10.240 5.812 1.00 35.43 H new ATOM 0 HA LYS A 58 -11.492 -10.338 5.173 1.00 33.22 H new ATOM 0 HB2 LYS A 58 -9.741 -12.241 5.219 1.00 14.01 H new ATOM 0 HB3 LYS A 58 -9.819 -12.199 6.969 1.00 14.01 H new ATOM 0 HG2 LYS A 58 -12.279 -12.778 6.830 1.00 23.35 H new ATOM 0 HG3 LYS A 58 -12.115 -12.923 5.091 1.00 23.35 H new ATOM 0 HD2 LYS A 58 -10.290 -14.697 5.532 1.00 10.22 H new ATOM 0 HD3 LYS A 58 -10.771 -14.655 7.217 1.00 10.22 H new ATOM 0 HE2 LYS A 58 -12.496 -15.478 4.838 1.00 53.22 H new ATOM 0 HE3 LYS A 58 -11.909 -16.516 6.123 1.00 53.22 H new ATOM 0 HZ1 LYS A 58 -14.184 -16.000 6.524 1.00 70.40 H new ATOM 0 HZ2 LYS A 58 -13.262 -15.191 7.698 1.00 70.40 H new ATOM 0 HZ3 LYS A 58 -13.907 -14.331 6.384 1.00 70.40 H new ATOM 890 N ASP A 59 -10.839 -10.102 8.425 1.00 24.35 N ATOM 891 CA ASP A 59 -11.418 -9.968 9.785 1.00 53.41 C ATOM 892 C ASP A 59 -11.846 -8.509 10.130 1.00 72.21 C ATOM 893 O ASP A 59 -12.494 -8.297 11.160 1.00 30.22 O ATOM 894 CB ASP A 59 -10.409 -10.516 10.829 1.00 12.23 C ATOM 895 CG ASP A 59 -11.003 -10.653 12.247 1.00 40.25 C ATOM 896 OD1 ASP A 59 -11.841 -11.560 12.459 1.00 12.22 O ATOM 897 OD2 ASP A 59 -10.671 -9.840 13.140 1.00 61.13 O ATOM 0 H ASP A 59 -9.820 -10.143 8.417 1.00 24.35 H new ATOM 0 HA ASP A 59 -12.335 -10.557 9.812 1.00 53.41 H new ATOM 0 HB2 ASP A 59 -10.050 -11.491 10.499 1.00 12.23 H new ATOM 0 HB3 ASP A 59 -9.544 -9.854 10.869 1.00 12.23 H new ATOM 902 N ALA A 60 -11.520 -7.539 9.232 1.00 24.05 N ATOM 903 CA ALA A 60 -11.654 -6.065 9.458 1.00 55.32 C ATOM 904 C ALA A 60 -12.847 -5.624 10.354 1.00 43.43 C ATOM 905 O ALA A 60 -12.641 -4.914 11.334 1.00 2.23 O ATOM 906 CB ALA A 60 -11.730 -5.356 8.098 1.00 41.51 C ATOM 0 H ALA A 60 -11.148 -7.761 8.309 1.00 24.05 H new ATOM 0 HA ALA A 60 -10.767 -5.773 10.020 1.00 55.32 H new ATOM 0 HB1 ALA A 60 -11.828 -4.281 8.253 1.00 41.51 H new ATOM 0 HB2 ALA A 60 -10.822 -5.560 7.530 1.00 41.51 H new ATOM 0 HB3 ALA A 60 -12.594 -5.723 7.544 1.00 41.51 H new ATOM 912 N GLY A 61 -14.084 -6.015 9.977 1.00 14.51 N ATOM 913 CA GLY A 61 -15.280 -5.816 10.836 1.00 21.14 C ATOM 914 C GLY A 61 -15.682 -4.351 11.065 1.00 41.12 C ATOM 915 O GLY A 61 -16.448 -4.062 11.994 1.00 23.43 O ATOM 0 H GLY A 61 -14.284 -6.470 9.086 1.00 14.51 H new ATOM 0 HA2 GLY A 61 -16.122 -6.342 10.386 1.00 21.14 H new ATOM 0 HA3 GLY A 61 -15.094 -6.281 11.804 1.00 21.14 H new ATOM 919 N ASP A 62 -15.127 -3.438 10.230 1.00 73.51 N ATOM 920 CA ASP A 62 -15.208 -1.958 10.398 1.00 72.42 C ATOM 921 C ASP A 62 -14.488 -1.446 11.686 1.00 54.12 C ATOM 922 O ASP A 62 -14.494 -0.241 11.962 1.00 34.14 O ATOM 923 CB ASP A 62 -16.679 -1.447 10.344 1.00 50.44 C ATOM 924 CG ASP A 62 -17.368 -1.760 9.006 1.00 40.23 C ATOM 925 OD1 ASP A 62 -17.146 -1.019 8.024 1.00 11.11 O ATOM 926 OD2 ASP A 62 -18.130 -2.753 8.927 1.00 62.33 O ATOM 0 H ASP A 62 -14.598 -3.712 9.402 1.00 73.51 H new ATOM 0 HA ASP A 62 -14.670 -1.536 9.549 1.00 72.42 H new ATOM 0 HB2 ASP A 62 -17.247 -1.902 11.155 1.00 50.44 H new ATOM 0 HB3 ASP A 62 -16.691 -0.370 10.511 1.00 50.44 H new ATOM 931 N LYS A 63 -13.834 -2.356 12.434 1.00 23.01 N ATOM 932 CA LYS A 63 -13.154 -2.041 13.714 1.00 61.15 C ATOM 933 C LYS A 63 -11.628 -1.895 13.508 1.00 53.44 C ATOM 934 O LYS A 63 -11.067 -2.389 12.518 1.00 43.12 O ATOM 935 CB LYS A 63 -13.460 -3.151 14.770 1.00 0.12 C ATOM 936 CG LYS A 63 -12.975 -4.568 14.375 1.00 4.20 C ATOM 937 CD LYS A 63 -13.232 -5.641 15.459 1.00 12.30 C ATOM 938 CE LYS A 63 -12.743 -7.044 15.035 1.00 60.32 C ATOM 939 NZ LYS A 63 -12.924 -8.055 16.118 1.00 31.05 N ATOM 0 H LYS A 63 -13.760 -3.338 12.169 1.00 23.01 H new ATOM 0 HA LYS A 63 -13.536 -1.089 14.082 1.00 61.15 H new ATOM 0 HB2 LYS A 63 -12.995 -2.873 15.716 1.00 0.12 H new ATOM 0 HB3 LYS A 63 -14.536 -3.184 14.942 1.00 0.12 H new ATOM 0 HG2 LYS A 63 -13.474 -4.869 13.454 1.00 4.20 H new ATOM 0 HG3 LYS A 63 -11.907 -4.530 14.161 1.00 4.20 H new ATOM 0 HD2 LYS A 63 -12.729 -5.348 16.381 1.00 12.30 H new ATOM 0 HD3 LYS A 63 -14.299 -5.683 15.677 1.00 12.30 H new ATOM 0 HE2 LYS A 63 -13.288 -7.364 14.147 1.00 60.32 H new ATOM 0 HE3 LYS A 63 -11.689 -6.992 14.761 1.00 60.32 H new ATOM 0 HZ1 LYS A 63 -12.583 -8.981 15.789 1.00 31.05 H new ATOM 0 HZ2 LYS A 63 -12.383 -7.765 16.958 1.00 31.05 H new ATOM 0 HZ3 LYS A 63 -13.932 -8.125 16.363 1.00 31.05 H new ATOM 953 N THR A 64 -10.959 -1.228 14.460 1.00 4.01 N ATOM 954 CA THR A 64 -9.496 -1.021 14.408 1.00 33.01 C ATOM 955 C THR A 64 -8.780 -2.271 14.967 1.00 31.03 C ATOM 956 O THR A 64 -8.866 -2.557 16.167 1.00 43.20 O ATOM 957 CB THR A 64 -9.057 0.260 15.208 1.00 61.05 C ATOM 958 OG1 THR A 64 -9.685 1.432 14.648 1.00 34.11 O ATOM 959 CG2 THR A 64 -7.526 0.461 15.207 1.00 14.15 C ATOM 0 H THR A 64 -11.406 -0.819 15.281 1.00 4.01 H new ATOM 0 HA THR A 64 -9.212 -0.866 13.367 1.00 33.01 H new ATOM 0 HB THR A 64 -9.376 0.113 16.240 1.00 61.05 H new ATOM 0 HG1 THR A 64 -9.408 2.225 15.153 1.00 34.11 H new ATOM 0 HG21 THR A 64 -7.277 1.359 15.773 1.00 14.15 H new ATOM 0 HG22 THR A 64 -7.045 -0.403 15.666 1.00 14.15 H new ATOM 0 HG23 THR A 64 -7.174 0.569 14.181 1.00 14.15 H new ATOM 967 N LEU A 65 -8.122 -3.027 14.077 1.00 30.12 N ATOM 968 CA LEU A 65 -7.301 -4.193 14.459 1.00 43.31 C ATOM 969 C LEU A 65 -6.008 -3.687 15.147 1.00 65.55 C ATOM 970 O LEU A 65 -5.251 -2.904 14.568 1.00 61.24 O ATOM 971 CB LEU A 65 -6.998 -5.053 13.204 1.00 5.12 C ATOM 972 CG LEU A 65 -8.253 -5.538 12.394 1.00 54.41 C ATOM 973 CD1 LEU A 65 -7.841 -6.251 11.090 1.00 4.41 C ATOM 974 CD2 LEU A 65 -9.173 -6.438 13.259 1.00 52.45 C ATOM 0 H LEU A 65 -8.141 -2.851 13.073 1.00 30.12 H new ATOM 0 HA LEU A 65 -7.837 -4.828 15.164 1.00 43.31 H new ATOM 0 HB2 LEU A 65 -6.358 -4.476 12.536 1.00 5.12 H new ATOM 0 HB3 LEU A 65 -6.428 -5.929 13.515 1.00 5.12 H new ATOM 0 HG LEU A 65 -8.824 -4.652 12.119 1.00 54.41 H new ATOM 0 HD11 LEU A 65 -8.734 -6.574 10.554 1.00 4.41 H new ATOM 0 HD12 LEU A 65 -7.271 -5.564 10.465 1.00 4.41 H new ATOM 0 HD13 LEU A 65 -7.227 -7.120 11.329 1.00 4.41 H new ATOM 0 HD21 LEU A 65 -10.032 -6.756 12.667 1.00 52.45 H new ATOM 0 HD22 LEU A 65 -8.617 -7.315 13.591 1.00 52.45 H new ATOM 0 HD23 LEU A 65 -9.518 -5.877 14.127 1.00 52.45 H new ATOM 986 N GLN A 66 -5.781 -4.126 16.390 1.00 51.53 N ATOM 987 CA GLN A 66 -4.795 -3.502 17.304 1.00 65.40 C ATOM 988 C GLN A 66 -3.434 -4.255 17.308 1.00 64.12 C ATOM 989 O GLN A 66 -3.399 -5.465 17.060 1.00 61.31 O ATOM 990 CB GLN A 66 -5.420 -3.427 18.726 1.00 60.25 C ATOM 991 CG GLN A 66 -6.654 -2.496 18.804 1.00 34.33 C ATOM 992 CD GLN A 66 -7.373 -2.511 20.158 1.00 22.41 C ATOM 993 OE1 GLN A 66 -6.774 -2.744 21.202 1.00 12.20 O ATOM 994 NE2 GLN A 66 -8.665 -2.247 20.148 1.00 12.31 N ATOM 0 H GLN A 66 -6.271 -4.922 16.798 1.00 51.53 H new ATOM 0 HA GLN A 66 -4.569 -2.496 16.951 1.00 65.40 H new ATOM 0 HB2 GLN A 66 -5.709 -4.429 19.041 1.00 60.25 H new ATOM 0 HB3 GLN A 66 -4.664 -3.077 19.429 1.00 60.25 H new ATOM 0 HG2 GLN A 66 -6.339 -1.476 18.585 1.00 34.33 H new ATOM 0 HG3 GLN A 66 -7.362 -2.785 18.027 1.00 34.33 H new ATOM 0 HE21 GLN A 66 -9.140 -2.056 19.266 1.00 12.31 H new ATOM 0 HE22 GLN A 66 -9.190 -2.233 21.023 1.00 12.31 H new ATOM 1003 N PRO A 67 -2.280 -3.522 17.539 1.00 11.03 N ATOM 1004 CA PRO A 67 -0.919 -4.124 17.629 1.00 73.04 C ATOM 1005 C PRO A 67 -0.831 -5.399 18.519 1.00 63.13 C ATOM 1006 O PRO A 67 -1.047 -5.344 19.734 1.00 52.02 O ATOM 1007 CB PRO A 67 -0.069 -2.970 18.218 1.00 41.42 C ATOM 1008 CG PRO A 67 -0.721 -1.733 17.684 1.00 74.35 C ATOM 1009 CD PRO A 67 -2.208 -2.034 17.665 1.00 23.32 C ATOM 0 HA PRO A 67 -0.583 -4.484 16.657 1.00 73.04 H new ATOM 0 HB2 PRO A 67 -0.075 -2.986 19.308 1.00 41.42 H new ATOM 0 HB3 PRO A 67 0.972 -3.040 17.904 1.00 41.42 H new ATOM 0 HG2 PRO A 67 -0.503 -0.871 18.315 1.00 74.35 H new ATOM 0 HG3 PRO A 67 -0.356 -1.497 16.685 1.00 74.35 H new ATOM 0 HD2 PRO A 67 -2.696 -1.687 18.576 1.00 23.32 H new ATOM 0 HD3 PRO A 67 -2.704 -1.539 16.830 1.00 23.32 H new ATOM 1017 N GLY A 68 -0.502 -6.541 17.881 1.00 63.53 N ATOM 1018 CA GLY A 68 -0.424 -7.851 18.559 1.00 22.30 C ATOM 1019 C GLY A 68 -1.454 -8.877 18.060 1.00 23.34 C ATOM 1020 O GLY A 68 -1.299 -10.077 18.320 1.00 44.21 O ATOM 0 H GLY A 68 -0.284 -6.581 16.885 1.00 63.53 H new ATOM 0 HA2 GLY A 68 0.577 -8.260 18.422 1.00 22.30 H new ATOM 0 HA3 GLY A 68 -0.564 -7.703 19.630 1.00 22.30 H new ATOM 1024 N ASP A 69 -2.512 -8.417 17.355 1.00 43.42 N ATOM 1025 CA ASP A 69 -3.540 -9.320 16.769 1.00 1.14 C ATOM 1026 C ASP A 69 -3.033 -10.001 15.473 1.00 2.13 C ATOM 1027 O ASP A 69 -2.148 -9.482 14.795 1.00 40.23 O ATOM 1028 CB ASP A 69 -4.862 -8.547 16.488 1.00 53.44 C ATOM 1029 CG ASP A 69 -5.545 -8.021 17.766 1.00 74.30 C ATOM 1030 OD1 ASP A 69 -5.636 -8.782 18.757 1.00 32.30 O ATOM 1031 OD2 ASP A 69 -6.033 -6.870 17.775 1.00 11.30 O ATOM 0 H ASP A 69 -2.680 -7.427 17.176 1.00 43.42 H new ATOM 0 HA ASP A 69 -3.739 -10.101 17.503 1.00 1.14 H new ATOM 0 HB2 ASP A 69 -4.650 -7.707 15.826 1.00 53.44 H new ATOM 0 HB3 ASP A 69 -5.553 -9.203 15.959 1.00 53.44 H new ATOM 1036 N GLN A 70 -3.602 -11.178 15.150 1.00 61.23 N ATOM 1037 CA GLN A 70 -3.297 -11.916 13.897 1.00 11.34 C ATOM 1038 C GLN A 70 -4.601 -12.230 13.123 1.00 2.54 C ATOM 1039 O GLN A 70 -5.609 -12.641 13.708 1.00 52.32 O ATOM 1040 CB GLN A 70 -2.475 -13.204 14.189 1.00 31.11 C ATOM 1041 CG GLN A 70 -3.120 -14.194 15.186 1.00 35.32 C ATOM 1042 CD GLN A 70 -2.205 -15.351 15.624 1.00 0.51 C ATOM 1043 OE1 GLN A 70 -0.906 -15.107 15.728 1.00 11.51 O flip ATOM 1044 NE2 GLN A 70 -2.669 -16.449 15.907 1.00 42.21 N flip ATOM 0 H GLN A 70 -4.285 -11.648 15.745 1.00 61.23 H new ATOM 0 HA GLN A 70 -2.679 -11.280 13.264 1.00 11.34 H new ATOM 0 HB2 GLN A 70 -2.302 -13.725 13.247 1.00 31.11 H new ATOM 0 HB3 GLN A 70 -1.499 -12.911 14.575 1.00 31.11 H new ATOM 0 HG2 GLN A 70 -3.436 -13.643 16.072 1.00 35.32 H new ATOM 0 HG3 GLN A 70 -4.019 -14.611 14.733 1.00 35.32 H new ATOM 0 HE21 GLN A 70 -3.671 -16.617 15.820 1.00 42.21 H new ATOM 0 HE22 GLN A 70 -2.053 -17.195 16.229 1.00 42.21 H new ATOM 1053 N VAL A 71 -4.546 -12.039 11.793 1.00 44.41 N ATOM 1054 CA VAL A 71 -5.728 -12.041 10.889 1.00 74.13 C ATOM 1055 C VAL A 71 -5.395 -12.738 9.544 1.00 25.52 C ATOM 1056 O VAL A 71 -4.286 -13.229 9.357 1.00 31.23 O ATOM 1057 CB VAL A 71 -6.240 -10.562 10.620 1.00 72.12 C ATOM 1058 CG1 VAL A 71 -6.865 -9.928 11.893 1.00 21.43 C ATOM 1059 CG2 VAL A 71 -5.096 -9.667 10.064 1.00 74.21 C ATOM 0 H VAL A 71 -3.668 -11.876 11.300 1.00 44.41 H new ATOM 0 HA VAL A 71 -6.522 -12.600 11.385 1.00 74.13 H new ATOM 0 HB VAL A 71 -7.024 -10.624 9.865 1.00 72.12 H new ATOM 0 HG11 VAL A 71 -7.203 -8.917 11.667 1.00 21.43 H new ATOM 0 HG12 VAL A 71 -7.713 -10.529 12.220 1.00 21.43 H new ATOM 0 HG13 VAL A 71 -6.118 -9.892 12.686 1.00 21.43 H new ATOM 0 HG21 VAL A 71 -5.474 -8.660 9.889 1.00 74.21 H new ATOM 0 HG22 VAL A 71 -4.281 -9.628 10.787 1.00 74.21 H new ATOM 0 HG23 VAL A 71 -4.730 -10.085 9.126 1.00 74.21 H new ATOM 1069 N ILE A 72 -6.379 -12.804 8.629 1.00 51.33 N ATOM 1070 CA ILE A 72 -6.187 -13.342 7.251 1.00 60.21 C ATOM 1071 C ILE A 72 -6.406 -12.223 6.198 1.00 32.22 C ATOM 1072 O ILE A 72 -7.206 -11.311 6.410 1.00 40.13 O ATOM 1073 CB ILE A 72 -7.166 -14.558 6.984 1.00 54.02 C ATOM 1074 CG1 ILE A 72 -6.900 -15.721 8.001 1.00 21.43 C ATOM 1075 CG2 ILE A 72 -7.097 -15.075 5.522 1.00 43.43 C ATOM 1076 CD1 ILE A 72 -5.501 -16.331 7.937 1.00 40.02 C ATOM 0 H ILE A 72 -7.331 -12.489 8.814 1.00 51.33 H new ATOM 0 HA ILE A 72 -5.163 -13.704 7.162 1.00 60.21 H new ATOM 0 HB ILE A 72 -8.179 -14.184 7.136 1.00 54.02 H new ATOM 0 HG12 ILE A 72 -7.070 -15.346 9.010 1.00 21.43 H new ATOM 0 HG13 ILE A 72 -7.632 -16.510 7.826 1.00 21.43 H new ATOM 0 HG21 ILE A 72 -7.789 -15.908 5.398 1.00 43.43 H new ATOM 0 HG22 ILE A 72 -7.370 -14.271 4.839 1.00 43.43 H new ATOM 0 HG23 ILE A 72 -6.083 -15.409 5.302 1.00 43.43 H new ATOM 0 HD11 ILE A 72 -5.416 -17.126 8.678 1.00 40.02 H new ATOM 0 HD12 ILE A 72 -5.329 -16.742 6.942 1.00 40.02 H new ATOM 0 HD13 ILE A 72 -4.758 -15.561 8.145 1.00 40.02 H new ATOM 1088 N LEU A 73 -5.655 -12.286 5.081 1.00 72.22 N ATOM 1089 CA LEU A 73 -5.782 -11.332 3.947 1.00 21.42 C ATOM 1090 C LEU A 73 -6.702 -11.905 2.830 1.00 63.23 C ATOM 1091 O LEU A 73 -6.453 -13.005 2.326 1.00 44.10 O ATOM 1092 CB LEU A 73 -4.363 -11.023 3.383 1.00 73.41 C ATOM 1093 CG LEU A 73 -3.331 -10.465 4.422 1.00 14.20 C ATOM 1094 CD1 LEU A 73 -1.932 -10.282 3.791 1.00 65.24 C ATOM 1095 CD2 LEU A 73 -3.837 -9.146 5.060 1.00 53.24 C ATOM 0 H LEU A 73 -4.940 -12.999 4.933 1.00 72.22 H new ATOM 0 HA LEU A 73 -6.242 -10.412 4.307 1.00 21.42 H new ATOM 0 HB2 LEU A 73 -3.957 -11.936 2.948 1.00 73.41 H new ATOM 0 HB3 LEU A 73 -4.463 -10.301 2.572 1.00 73.41 H new ATOM 0 HG LEU A 73 -3.235 -11.204 5.217 1.00 14.20 H new ATOM 0 HD11 LEU A 73 -1.243 -9.894 4.541 1.00 65.24 H new ATOM 0 HD12 LEU A 73 -1.568 -11.243 3.427 1.00 65.24 H new ATOM 0 HD13 LEU A 73 -1.997 -9.580 2.960 1.00 65.24 H new ATOM 0 HD21 LEU A 73 -3.100 -8.782 5.777 1.00 53.24 H new ATOM 0 HD22 LEU A 73 -3.985 -8.398 4.281 1.00 53.24 H new ATOM 0 HD23 LEU A 73 -4.782 -9.328 5.572 1.00 53.24 H new ATOM 1107 N GLU A 74 -7.776 -11.156 2.459 1.00 54.21 N ATOM 1108 CA GLU A 74 -8.659 -11.510 1.303 1.00 71.34 C ATOM 1109 C GLU A 74 -8.129 -10.951 -0.042 1.00 73.41 C ATOM 1110 O GLU A 74 -8.693 -11.243 -1.104 1.00 44.51 O ATOM 1111 CB GLU A 74 -10.135 -11.056 1.538 1.00 53.03 C ATOM 1112 CG GLU A 74 -10.981 -12.046 2.363 1.00 42.52 C ATOM 1113 CD GLU A 74 -12.484 -11.694 2.379 1.00 14.04 C ATOM 1114 OE1 GLU A 74 -13.181 -11.992 1.380 1.00 1.21 O ATOM 1115 OE2 GLU A 74 -12.971 -11.110 3.370 1.00 63.12 O ATOM 0 H GLU A 74 -8.055 -10.302 2.942 1.00 54.21 H new ATOM 0 HA GLU A 74 -8.643 -12.598 1.236 1.00 71.34 H new ATOM 0 HB2 GLU A 74 -10.129 -10.091 2.045 1.00 53.03 H new ATOM 0 HB3 GLU A 74 -10.614 -10.905 0.571 1.00 53.03 H new ATOM 0 HG2 GLU A 74 -10.854 -13.049 1.957 1.00 42.52 H new ATOM 0 HG3 GLU A 74 -10.608 -12.067 3.387 1.00 42.52 H new ATOM 1122 N ALA A 75 -7.062 -10.145 0.004 1.00 72.51 N ATOM 1123 CA ALA A 75 -6.321 -9.712 -1.206 1.00 40.23 C ATOM 1124 C ALA A 75 -4.840 -10.103 -1.099 1.00 21.22 C ATOM 1125 O ALA A 75 -4.359 -10.541 -0.043 1.00 72.55 O ATOM 1126 CB ALA A 75 -6.472 -8.198 -1.436 1.00 1.02 C ATOM 0 H ALA A 75 -6.682 -9.771 0.873 1.00 72.51 H new ATOM 0 HA ALA A 75 -6.750 -10.224 -2.067 1.00 40.23 H new ATOM 0 HB1 ALA A 75 -5.919 -7.909 -2.329 1.00 1.02 H new ATOM 0 HB2 ALA A 75 -7.526 -7.953 -1.567 1.00 1.02 H new ATOM 0 HB3 ALA A 75 -6.078 -7.658 -0.575 1.00 1.02 H new ATOM 1132 N SER A 76 -4.124 -9.936 -2.214 1.00 33.51 N ATOM 1133 CA SER A 76 -2.691 -10.238 -2.310 1.00 24.15 C ATOM 1134 C SER A 76 -2.002 -9.269 -3.283 1.00 30.31 C ATOM 1135 O SER A 76 -2.454 -9.088 -4.421 1.00 71.23 O ATOM 1136 CB SER A 76 -2.495 -11.697 -2.791 1.00 34.10 C ATOM 1137 OG SER A 76 -3.134 -11.946 -4.038 1.00 33.21 O ATOM 0 H SER A 76 -4.525 -9.584 -3.084 1.00 33.51 H new ATOM 0 HA SER A 76 -2.241 -10.120 -1.324 1.00 24.15 H new ATOM 0 HB2 SER A 76 -1.429 -11.906 -2.883 1.00 34.10 H new ATOM 0 HB3 SER A 76 -2.890 -12.381 -2.040 1.00 34.10 H new ATOM 0 HG SER A 76 -3.249 -11.101 -4.521 1.00 33.21 H new ATOM 1143 N HIS A 77 -0.920 -8.633 -2.817 1.00 22.21 N ATOM 1144 CA HIS A 77 0.003 -7.864 -3.670 1.00 20.31 C ATOM 1145 C HIS A 77 1.020 -8.827 -4.332 1.00 10.34 C ATOM 1146 O HIS A 77 1.485 -8.593 -5.452 1.00 24.45 O ATOM 1147 CB HIS A 77 0.743 -6.793 -2.812 1.00 50.42 C ATOM 1148 CG HIS A 77 -0.157 -5.847 -2.033 1.00 52.34 C ATOM 1149 ND1 HIS A 77 0.362 -5.016 -1.068 1.00 71.11 N ATOM 1150 CD2 HIS A 77 -1.502 -5.625 -2.117 1.00 0.14 C ATOM 1151 CE1 HIS A 77 -0.656 -4.316 -0.599 1.00 15.03 C ATOM 1152 NE2 HIS A 77 -1.797 -4.649 -1.204 1.00 21.11 N ATOM 0 H HIS A 77 -0.656 -8.636 -1.832 1.00 22.21 H new ATOM 0 HA HIS A 77 -0.560 -7.355 -4.453 1.00 20.31 H new ATOM 0 HB2 HIS A 77 1.399 -7.305 -2.108 1.00 50.42 H new ATOM 0 HB3 HIS A 77 1.380 -6.202 -3.470 1.00 50.42 H new ATOM 0 HD2 HIS A 77 -2.198 -6.123 -2.776 1.00 0.14 H new ATOM 0 HE1 HIS A 77 -0.574 -3.569 0.176 1.00 15.03 H new ATOM 0 HE2 HIS A 77 -2.718 -4.251 -1.020 1.00 21.11 H new ATOM 1160 N MET A 78 1.349 -9.925 -3.611 1.00 13.14 N ATOM 1161 CA MET A 78 2.339 -10.939 -4.050 1.00 3.34 C ATOM 1162 C MET A 78 1.747 -12.374 -4.043 1.00 52.23 C ATOM 1163 O MET A 78 0.593 -12.587 -3.652 1.00 62.23 O ATOM 1164 CB MET A 78 3.596 -10.871 -3.144 1.00 51.54 C ATOM 1165 CG MET A 78 4.288 -9.499 -3.137 1.00 55.42 C ATOM 1166 SD MET A 78 5.757 -9.461 -2.092 1.00 74.03 S ATOM 1167 CE MET A 78 5.035 -9.787 -0.488 1.00 22.12 C ATOM 0 H MET A 78 0.933 -10.134 -2.703 1.00 13.14 H new ATOM 0 HA MET A 78 2.616 -10.710 -5.079 1.00 3.34 H new ATOM 0 HB2 MET A 78 3.310 -11.128 -2.124 1.00 51.54 H new ATOM 0 HB3 MET A 78 4.310 -11.625 -3.474 1.00 51.54 H new ATOM 0 HG2 MET A 78 4.566 -9.233 -4.157 1.00 55.42 H new ATOM 0 HG3 MET A 78 3.583 -8.743 -2.791 1.00 55.42 H new ATOM 0 HE1 MET A 78 5.286 -8.976 0.196 1.00 22.12 H new ATOM 0 HE2 MET A 78 3.952 -9.858 -0.584 1.00 22.12 H new ATOM 0 HE3 MET A 78 5.427 -10.726 -0.097 1.00 22.12 H new ATOM 1177 N LYS A 79 2.562 -13.355 -4.476 1.00 24.14 N ATOM 1178 CA LYS A 79 2.159 -14.779 -4.566 1.00 53.40 C ATOM 1179 C LYS A 79 2.274 -15.490 -3.186 1.00 71.43 C ATOM 1180 O LYS A 79 3.320 -15.421 -2.524 1.00 72.30 O ATOM 1181 CB LYS A 79 3.033 -15.494 -5.633 1.00 73.13 C ATOM 1182 CG LYS A 79 2.945 -14.863 -7.048 1.00 63.44 C ATOM 1183 CD LYS A 79 3.858 -15.566 -8.082 1.00 33.52 C ATOM 1184 CE LYS A 79 3.763 -14.947 -9.488 1.00 34.03 C ATOM 1185 NZ LYS A 79 2.385 -15.015 -10.044 1.00 34.25 N ATOM 0 H LYS A 79 3.522 -13.186 -4.775 1.00 24.14 H new ATOM 0 HA LYS A 79 1.112 -14.829 -4.866 1.00 53.40 H new ATOM 0 HB2 LYS A 79 4.072 -15.481 -5.305 1.00 73.13 H new ATOM 0 HB3 LYS A 79 2.731 -16.540 -5.693 1.00 73.13 H new ATOM 0 HG2 LYS A 79 1.913 -14.905 -7.395 1.00 63.44 H new ATOM 0 HG3 LYS A 79 3.218 -13.809 -6.988 1.00 63.44 H new ATOM 0 HD2 LYS A 79 4.891 -15.517 -7.739 1.00 33.52 H new ATOM 0 HD3 LYS A 79 3.590 -16.621 -8.137 1.00 33.52 H new ATOM 0 HE2 LYS A 79 4.085 -13.906 -9.447 1.00 34.03 H new ATOM 0 HE3 LYS A 79 4.449 -15.466 -10.158 1.00 34.03 H new ATOM 0 HZ1 LYS A 79 2.397 -14.712 -11.039 1.00 34.25 H new ATOM 0 HZ2 LYS A 79 2.034 -15.992 -9.984 1.00 34.25 H new ATOM 0 HZ3 LYS A 79 1.759 -14.388 -9.499 1.00 34.25 H new ATOM 1199 N GLY A 80 1.186 -16.170 -2.771 1.00 64.53 N ATOM 1200 CA GLY A 80 1.104 -16.840 -1.457 1.00 14.13 C ATOM 1201 C GLY A 80 0.769 -15.889 -0.298 1.00 61.41 C ATOM 1202 O GLY A 80 0.863 -16.270 0.874 1.00 21.02 O ATOM 0 H GLY A 80 0.342 -16.270 -3.335 1.00 64.53 H new ATOM 0 HA2 GLY A 80 0.346 -17.622 -1.504 1.00 14.13 H new ATOM 0 HA3 GLY A 80 2.055 -17.331 -1.249 1.00 14.13 H new ATOM 1206 N MET A 81 0.363 -14.652 -0.634 1.00 23.33 N ATOM 1207 CA MET A 81 0.055 -13.588 0.350 1.00 15.14 C ATOM 1208 C MET A 81 -1.416 -13.677 0.841 1.00 65.31 C ATOM 1209 O MET A 81 -1.693 -13.528 2.038 1.00 23.21 O ATOM 1210 CB MET A 81 0.355 -12.211 -0.301 1.00 15.32 C ATOM 1211 CG MET A 81 0.058 -10.983 0.568 1.00 62.53 C ATOM 1212 SD MET A 81 0.526 -9.450 -0.263 1.00 73.12 S ATOM 1213 CE MET A 81 0.000 -8.211 0.922 1.00 41.21 C ATOM 0 H MET A 81 0.237 -14.356 -1.602 1.00 23.33 H new ATOM 0 HA MET A 81 0.682 -13.716 1.232 1.00 15.14 H new ATOM 0 HB2 MET A 81 1.407 -12.186 -0.585 1.00 15.32 H new ATOM 0 HB3 MET A 81 -0.225 -12.131 -1.220 1.00 15.32 H new ATOM 0 HG2 MET A 81 -1.004 -10.956 0.810 1.00 62.53 H new ATOM 0 HG3 MET A 81 0.598 -11.065 1.511 1.00 62.53 H new ATOM 0 HE1 MET A 81 0.229 -7.218 0.536 1.00 41.21 H new ATOM 0 HE2 MET A 81 -1.074 -8.298 1.086 1.00 41.21 H new ATOM 0 HE3 MET A 81 0.525 -8.364 1.865 1.00 41.21 H new ATOM 1223 N LYS A 82 -2.357 -13.893 -0.097 1.00 0.04 N ATOM 1224 CA LYS A 82 -3.785 -14.125 0.237 1.00 12.30 C ATOM 1225 C LYS A 82 -3.977 -15.477 0.968 1.00 22.35 C ATOM 1226 O LYS A 82 -3.524 -16.521 0.484 1.00 43.50 O ATOM 1227 CB LYS A 82 -4.664 -14.077 -1.039 1.00 51.44 C ATOM 1228 CG LYS A 82 -6.168 -14.322 -0.783 1.00 70.22 C ATOM 1229 CD LYS A 82 -7.031 -14.194 -2.054 1.00 1.04 C ATOM 1230 CE LYS A 82 -8.523 -14.464 -1.768 1.00 74.34 C ATOM 1231 NZ LYS A 82 -9.381 -14.239 -2.959 1.00 34.22 N ATOM 0 H LYS A 82 -2.158 -13.913 -1.097 1.00 0.04 H new ATOM 0 HA LYS A 82 -4.100 -13.326 0.908 1.00 12.30 H new ATOM 0 HB2 LYS A 82 -4.542 -13.104 -1.514 1.00 51.44 H new ATOM 0 HB3 LYS A 82 -4.301 -14.824 -1.745 1.00 51.44 H new ATOM 0 HG2 LYS A 82 -6.300 -15.318 -0.361 1.00 70.22 H new ATOM 0 HG3 LYS A 82 -6.523 -13.611 -0.038 1.00 70.22 H new ATOM 0 HD2 LYS A 82 -6.917 -13.193 -2.471 1.00 1.04 H new ATOM 0 HD3 LYS A 82 -6.673 -14.896 -2.808 1.00 1.04 H new ATOM 0 HE2 LYS A 82 -8.644 -15.492 -1.426 1.00 74.34 H new ATOM 0 HE3 LYS A 82 -8.857 -13.817 -0.957 1.00 74.34 H new ATOM 0 HZ1 LYS A 82 -10.373 -14.434 -2.714 1.00 34.22 H new ATOM 0 HZ2 LYS A 82 -9.289 -13.251 -3.271 1.00 34.22 H new ATOM 0 HZ3 LYS A 82 -9.083 -14.874 -3.727 1.00 34.22 H new ATOM 1245 N GLY A 83 -4.647 -15.440 2.134 1.00 13.13 N ATOM 1246 CA GLY A 83 -4.850 -16.638 2.965 1.00 33.55 C ATOM 1247 C GLY A 83 -3.780 -16.796 4.052 1.00 0.20 C ATOM 1248 O GLY A 83 -3.969 -17.560 5.008 1.00 50.04 O ATOM 0 H GLY A 83 -5.058 -14.591 2.522 1.00 13.13 H new ATOM 0 HA2 GLY A 83 -5.833 -16.587 3.434 1.00 33.55 H new ATOM 0 HA3 GLY A 83 -4.847 -17.522 2.327 1.00 33.55 H new ATOM 1252 N ALA A 84 -2.652 -16.069 3.896 1.00 2.22 N ATOM 1253 CA ALA A 84 -1.549 -16.056 4.881 1.00 63.22 C ATOM 1254 C ALA A 84 -1.953 -15.285 6.160 1.00 45.15 C ATOM 1255 O ALA A 84 -2.788 -14.365 6.114 1.00 14.50 O ATOM 1256 CB ALA A 84 -0.271 -15.452 4.260 1.00 74.20 C ATOM 0 H ALA A 84 -2.481 -15.475 3.084 1.00 2.22 H new ATOM 0 HA ALA A 84 -1.339 -17.088 5.164 1.00 63.22 H new ATOM 0 HB1 ALA A 84 0.528 -15.452 5.001 1.00 74.20 H new ATOM 0 HB2 ALA A 84 0.032 -16.048 3.399 1.00 74.20 H new ATOM 0 HB3 ALA A 84 -0.470 -14.429 3.941 1.00 74.20 H new ATOM 1262 N THR A 85 -1.338 -15.662 7.293 1.00 31.00 N ATOM 1263 CA THR A 85 -1.629 -15.054 8.604 1.00 55.23 C ATOM 1264 C THR A 85 -0.803 -13.760 8.779 1.00 55.14 C ATOM 1265 O THR A 85 0.427 -13.806 8.865 1.00 41.02 O ATOM 1266 CB THR A 85 -1.333 -16.043 9.787 1.00 23.30 C ATOM 1267 OG1 THR A 85 -1.992 -17.299 9.548 1.00 43.15 O ATOM 1268 CG2 THR A 85 -1.805 -15.480 11.147 1.00 65.52 C ATOM 0 H THR A 85 -0.628 -16.393 7.327 1.00 31.00 H new ATOM 0 HA THR A 85 -2.693 -14.817 8.630 1.00 55.23 H new ATOM 0 HB THR A 85 -0.253 -16.180 9.832 1.00 23.30 H new ATOM 0 HG1 THR A 85 -1.803 -17.913 10.288 1.00 43.15 H new ATOM 0 HG21 THR A 85 -1.580 -16.198 11.936 1.00 65.52 H new ATOM 0 HG22 THR A 85 -1.289 -14.542 11.352 1.00 65.52 H new ATOM 0 HG23 THR A 85 -2.880 -15.303 11.114 1.00 65.52 H new ATOM 1276 N ALA A 86 -1.500 -12.615 8.838 1.00 73.24 N ATOM 1277 CA ALA A 86 -0.882 -11.283 8.952 1.00 35.42 C ATOM 1278 C ALA A 86 -0.947 -10.803 10.412 1.00 13.00 C ATOM 1279 O ALA A 86 -2.009 -10.818 11.028 1.00 63.34 O ATOM 1280 CB ALA A 86 -1.590 -10.287 8.014 1.00 4.03 C ATOM 0 H ALA A 86 -2.519 -12.586 8.808 1.00 73.24 H new ATOM 0 HA ALA A 86 0.165 -11.345 8.653 1.00 35.42 H new ATOM 0 HB1 ALA A 86 -1.125 -9.306 8.107 1.00 4.03 H new ATOM 0 HB2 ALA A 86 -1.504 -10.633 6.984 1.00 4.03 H new ATOM 0 HB3 ALA A 86 -2.643 -10.216 8.286 1.00 4.03 H new ATOM 1286 N GLU A 87 0.189 -10.355 10.939 1.00 10.31 N ATOM 1287 CA GLU A 87 0.307 -9.871 12.325 1.00 21.21 C ATOM 1288 C GLU A 87 0.267 -8.342 12.306 1.00 53.42 C ATOM 1289 O GLU A 87 1.134 -7.719 11.690 1.00 45.10 O ATOM 1290 CB GLU A 87 1.633 -10.361 12.963 1.00 35.34 C ATOM 1291 CG GLU A 87 1.900 -9.865 14.406 1.00 73.20 C ATOM 1292 CD GLU A 87 3.323 -10.202 14.896 1.00 33.40 C ATOM 1293 OE1 GLU A 87 3.605 -11.397 15.149 1.00 4.32 O ATOM 1294 OE2 GLU A 87 4.173 -9.285 14.993 1.00 73.03 O ATOM 0 H GLU A 87 1.065 -10.314 10.418 1.00 10.31 H new ATOM 0 HA GLU A 87 -0.517 -10.262 12.922 1.00 21.21 H new ATOM 0 HB2 GLU A 87 1.634 -11.451 12.966 1.00 35.34 H new ATOM 0 HB3 GLU A 87 2.461 -10.043 12.329 1.00 35.34 H new ATOM 0 HG2 GLU A 87 1.751 -8.786 14.449 1.00 73.20 H new ATOM 0 HG3 GLU A 87 1.172 -10.314 15.081 1.00 73.20 H new ATOM 1301 N ILE A 88 -0.747 -7.747 12.945 1.00 74.25 N ATOM 1302 CA ILE A 88 -0.856 -6.285 13.065 1.00 51.00 C ATOM 1303 C ILE A 88 0.332 -5.744 13.909 1.00 11.44 C ATOM 1304 O ILE A 88 0.309 -5.777 15.140 1.00 32.54 O ATOM 1305 CB ILE A 88 -2.235 -5.843 13.694 1.00 75.51 C ATOM 1306 CG1 ILE A 88 -3.442 -6.517 12.952 1.00 4.12 C ATOM 1307 CG2 ILE A 88 -2.378 -4.294 13.700 1.00 25.33 C ATOM 1308 CD1 ILE A 88 -3.582 -6.165 11.474 1.00 23.44 C ATOM 0 H ILE A 88 -1.509 -8.258 13.390 1.00 74.25 H new ATOM 0 HA ILE A 88 -0.815 -5.858 12.063 1.00 51.00 H new ATOM 0 HB ILE A 88 -2.250 -6.185 14.729 1.00 75.51 H new ATOM 0 HG12 ILE A 88 -3.344 -7.599 13.042 1.00 4.12 H new ATOM 0 HG13 ILE A 88 -4.363 -6.237 13.463 1.00 4.12 H new ATOM 0 HG21 ILE A 88 -3.337 -4.019 14.139 1.00 25.33 H new ATOM 0 HG22 ILE A 88 -1.571 -3.856 14.288 1.00 25.33 H new ATOM 0 HG23 ILE A 88 -2.326 -3.920 12.678 1.00 25.33 H new ATOM 0 HD11 ILE A 88 -4.446 -6.683 11.057 1.00 23.44 H new ATOM 0 HD12 ILE A 88 -3.718 -5.089 11.368 1.00 23.44 H new ATOM 0 HD13 ILE A 88 -2.683 -6.472 10.940 1.00 23.44 H new ATOM 1320 N ASP A 89 1.397 -5.323 13.210 1.00 65.32 N ATOM 1321 CA ASP A 89 2.592 -4.710 13.821 1.00 63.31 C ATOM 1322 C ASP A 89 2.250 -3.283 14.331 1.00 21.41 C ATOM 1323 O ASP A 89 2.762 -2.834 15.368 1.00 23.22 O ATOM 1324 CB ASP A 89 3.734 -4.692 12.761 1.00 34.34 C ATOM 1325 CG ASP A 89 5.043 -4.063 13.266 1.00 1.52 C ATOM 1326 OD1 ASP A 89 5.822 -4.758 13.947 1.00 24.42 O ATOM 1327 OD2 ASP A 89 5.299 -2.869 12.992 1.00 32.25 O ATOM 0 H ASP A 89 1.456 -5.398 12.194 1.00 65.32 H new ATOM 0 HA ASP A 89 2.926 -5.289 14.682 1.00 63.31 H new ATOM 0 HB2 ASP A 89 3.934 -5.714 12.439 1.00 34.34 H new ATOM 0 HB3 ASP A 89 3.393 -4.143 11.883 1.00 34.34 H new ATOM 1332 N SER A 90 1.337 -2.616 13.598 1.00 62.44 N ATOM 1333 CA SER A 90 0.844 -1.256 13.919 1.00 21.41 C ATOM 1334 C SER A 90 -0.413 -0.922 13.078 1.00 15.33 C ATOM 1335 O SER A 90 -0.737 -1.624 12.113 1.00 62.31 O ATOM 1336 CB SER A 90 1.947 -0.186 13.679 1.00 14.20 C ATOM 1337 OG SER A 90 1.496 1.116 14.028 1.00 3.42 O ATOM 0 H SER A 90 0.915 -3.008 12.756 1.00 62.44 H new ATOM 0 HA SER A 90 0.578 -1.240 14.976 1.00 21.41 H new ATOM 0 HB2 SER A 90 2.831 -0.435 14.266 1.00 14.20 H new ATOM 0 HB3 SER A 90 2.246 -0.200 12.631 1.00 14.20 H new ATOM 0 HG SER A 90 2.213 1.765 13.867 1.00 3.42 H new ATOM 1343 N ALA A 91 -1.122 0.148 13.470 1.00 13.34 N ATOM 1344 CA ALA A 91 -2.268 0.700 12.718 1.00 41.12 C ATOM 1345 C ALA A 91 -2.109 2.229 12.584 1.00 72.34 C ATOM 1346 O ALA A 91 -1.871 2.919 13.583 1.00 33.43 O ATOM 1347 CB ALA A 91 -3.590 0.349 13.431 1.00 72.33 C ATOM 0 H ALA A 91 -0.916 0.662 14.327 1.00 13.34 H new ATOM 0 HA ALA A 91 -2.292 0.260 11.721 1.00 41.12 H new ATOM 0 HB1 ALA A 91 -4.428 0.761 12.868 1.00 72.33 H new ATOM 0 HB2 ALA A 91 -3.693 -0.734 13.494 1.00 72.33 H new ATOM 0 HB3 ALA A 91 -3.585 0.772 14.436 1.00 72.33 H new ATOM 1353 N GLU A 92 -2.277 2.767 11.360 1.00 4.25 N ATOM 1354 CA GLU A 92 -2.081 4.213 11.082 1.00 21.33 C ATOM 1355 C GLU A 92 -3.282 4.800 10.308 1.00 43.21 C ATOM 1356 O GLU A 92 -3.830 4.150 9.424 1.00 23.24 O ATOM 1357 CB GLU A 92 -0.759 4.435 10.282 1.00 60.30 C ATOM 1358 CG GLU A 92 -0.391 5.920 10.063 1.00 1.11 C ATOM 1359 CD GLU A 92 0.935 6.136 9.310 1.00 72.35 C ATOM 1360 OE1 GLU A 92 2.002 5.813 9.869 1.00 14.24 O ATOM 1361 OE2 GLU A 92 0.918 6.652 8.171 1.00 50.04 O ATOM 0 H GLU A 92 -2.549 2.223 10.541 1.00 4.25 H new ATOM 0 HA GLU A 92 -2.009 4.734 12.037 1.00 21.33 H new ATOM 0 HB2 GLU A 92 0.058 3.944 10.810 1.00 60.30 H new ATOM 0 HB3 GLU A 92 -0.849 3.948 9.311 1.00 60.30 H new ATOM 0 HG2 GLU A 92 -1.194 6.404 9.508 1.00 1.11 H new ATOM 0 HG3 GLU A 92 -0.330 6.415 11.032 1.00 1.11 H new ATOM 1368 N LYS A 93 -3.691 6.029 10.665 1.00 25.12 N ATOM 1369 CA LYS A 93 -4.722 6.790 9.932 1.00 32.42 C ATOM 1370 C LYS A 93 -4.032 7.718 8.907 1.00 15.21 C ATOM 1371 O LYS A 93 -3.526 8.790 9.265 1.00 72.50 O ATOM 1372 CB LYS A 93 -5.596 7.610 10.925 1.00 63.23 C ATOM 1373 CG LYS A 93 -6.434 6.758 11.906 1.00 53.42 C ATOM 1374 CD LYS A 93 -7.563 5.958 11.210 1.00 54.25 C ATOM 1375 CE LYS A 93 -8.412 5.145 12.206 1.00 21.32 C ATOM 1376 NZ LYS A 93 -9.599 4.535 11.557 1.00 31.13 N ATOM 0 H LYS A 93 -3.316 6.526 11.473 1.00 25.12 H new ATOM 0 HA LYS A 93 -5.379 6.101 9.401 1.00 32.42 H new ATOM 0 HB2 LYS A 93 -4.946 8.268 11.501 1.00 63.23 H new ATOM 0 HB3 LYS A 93 -6.270 8.248 10.353 1.00 63.23 H new ATOM 0 HG2 LYS A 93 -5.775 6.064 12.428 1.00 53.42 H new ATOM 0 HG3 LYS A 93 -6.872 7.411 12.661 1.00 53.42 H new ATOM 0 HD2 LYS A 93 -8.209 6.647 10.665 1.00 54.25 H new ATOM 0 HD3 LYS A 93 -7.125 5.282 10.475 1.00 54.25 H new ATOM 0 HE2 LYS A 93 -7.798 4.361 12.650 1.00 21.32 H new ATOM 0 HE3 LYS A 93 -8.737 5.794 13.019 1.00 21.32 H new ATOM 0 HZ1 LYS A 93 -10.238 4.158 12.286 1.00 31.13 H new ATOM 0 HZ2 LYS A 93 -10.099 5.256 10.999 1.00 31.13 H new ATOM 0 HZ3 LYS A 93 -9.294 3.763 10.931 1.00 31.13 H new ATOM 1390 N THR A 94 -3.946 7.259 7.649 1.00 70.33 N ATOM 1391 CA THR A 94 -3.331 8.022 6.537 1.00 31.22 C ATOM 1392 C THR A 94 -4.177 7.909 5.250 1.00 20.15 C ATOM 1393 O THR A 94 -4.963 6.961 5.092 1.00 3.23 O ATOM 1394 CB THR A 94 -1.864 7.561 6.253 1.00 4.10 C ATOM 1395 OG1 THR A 94 -1.262 8.418 5.271 1.00 42.43 O ATOM 1396 CG2 THR A 94 -1.784 6.099 5.779 1.00 74.53 C ATOM 0 H THR A 94 -4.301 6.345 7.367 1.00 70.33 H new ATOM 0 HA THR A 94 -3.302 9.066 6.850 1.00 31.22 H new ATOM 0 HB THR A 94 -1.321 7.629 7.196 1.00 4.10 H new ATOM 0 HG1 THR A 94 -0.286 8.344 5.326 1.00 42.43 H new ATOM 0 HG21 THR A 94 -0.743 5.832 5.597 1.00 74.53 H new ATOM 0 HG22 THR A 94 -2.197 5.445 6.546 1.00 74.53 H new ATOM 0 HG23 THR A 94 -2.355 5.983 4.858 1.00 74.53 H new ATOM 1404 N THR A 95 -4.026 8.885 4.337 1.00 2.03 N ATOM 1405 CA THR A 95 -4.711 8.863 3.029 1.00 24.23 C ATOM 1406 C THR A 95 -3.867 8.062 2.010 1.00 45.01 C ATOM 1407 O THR A 95 -2.693 8.376 1.797 1.00 12.40 O ATOM 1408 CB THR A 95 -4.970 10.306 2.472 1.00 22.04 C ATOM 1409 OG1 THR A 95 -5.535 11.130 3.503 1.00 3.00 O ATOM 1410 CG2 THR A 95 -5.936 10.289 1.267 1.00 34.20 C ATOM 0 H THR A 95 -3.433 9.703 4.481 1.00 2.03 H new ATOM 0 HA THR A 95 -5.679 8.385 3.176 1.00 24.23 H new ATOM 0 HB THR A 95 -4.011 10.707 2.143 1.00 22.04 H new ATOM 0 HG1 THR A 95 -6.474 10.885 3.640 1.00 3.00 H new ATOM 0 HG21 THR A 95 -6.090 11.307 0.910 1.00 34.20 H new ATOM 0 HG22 THR A 95 -5.509 9.684 0.467 1.00 34.20 H new ATOM 0 HG23 THR A 95 -6.892 9.863 1.573 1.00 34.20 H new ATOM 1418 N VAL A 96 -4.475 7.050 1.367 1.00 43.22 N ATOM 1419 CA VAL A 96 -3.783 6.139 0.428 1.00 31.51 C ATOM 1420 C VAL A 96 -4.385 6.270 -0.988 1.00 21.43 C ATOM 1421 O VAL A 96 -5.604 6.367 -1.159 1.00 74.15 O ATOM 1422 CB VAL A 96 -3.825 4.641 0.912 1.00 4.32 C ATOM 1423 CG1 VAL A 96 -2.873 4.420 2.114 1.00 41.05 C ATOM 1424 CG2 VAL A 96 -5.269 4.197 1.256 1.00 41.13 C ATOM 0 H VAL A 96 -5.466 6.837 1.482 1.00 43.22 H new ATOM 0 HA VAL A 96 -2.735 6.436 0.399 1.00 31.51 H new ATOM 0 HB VAL A 96 -3.478 4.018 0.088 1.00 4.32 H new ATOM 0 HG11 VAL A 96 -2.921 3.378 2.429 1.00 41.05 H new ATOM 0 HG12 VAL A 96 -1.852 4.664 1.819 1.00 41.05 H new ATOM 0 HG13 VAL A 96 -3.175 5.063 2.941 1.00 41.05 H new ATOM 0 HG21 VAL A 96 -5.261 3.158 1.586 1.00 41.13 H new ATOM 0 HG22 VAL A 96 -5.664 4.828 2.052 1.00 41.13 H new ATOM 0 HG23 VAL A 96 -5.899 4.292 0.372 1.00 41.13 H new ATOM 1434 N TYR A 97 -3.508 6.280 -1.995 1.00 52.12 N ATOM 1435 CA TYR A 97 -3.846 6.619 -3.385 1.00 4.52 C ATOM 1436 C TYR A 97 -3.506 5.486 -4.370 1.00 52.31 C ATOM 1437 O TYR A 97 -2.727 4.570 -4.075 1.00 71.33 O ATOM 1438 CB TYR A 97 -3.073 7.898 -3.822 1.00 31.13 C ATOM 1439 CG TYR A 97 -3.429 9.176 -3.041 1.00 34.43 C ATOM 1440 CD1 TYR A 97 -2.791 9.495 -1.838 1.00 23.51 C ATOM 1441 CD2 TYR A 97 -4.396 10.067 -3.515 1.00 1.10 C ATOM 1442 CE1 TYR A 97 -3.106 10.645 -1.146 1.00 20.34 C ATOM 1443 CE2 TYR A 97 -4.711 11.215 -2.822 1.00 33.43 C ATOM 1444 CZ TYR A 97 -4.065 11.505 -1.641 1.00 24.45 C ATOM 1445 OH TYR A 97 -4.380 12.661 -0.954 1.00 13.14 O ATOM 0 H TYR A 97 -2.523 6.048 -1.867 1.00 52.12 H new ATOM 0 HA TYR A 97 -4.923 6.784 -3.413 1.00 4.52 H new ATOM 0 HB2 TYR A 97 -2.004 7.712 -3.716 1.00 31.13 H new ATOM 0 HB3 TYR A 97 -3.262 8.074 -4.881 1.00 31.13 H new ATOM 0 HD1 TYR A 97 -2.038 8.828 -1.444 1.00 23.51 H new ATOM 0 HD2 TYR A 97 -4.906 9.851 -4.442 1.00 1.10 H new ATOM 0 HE1 TYR A 97 -2.603 10.873 -0.218 1.00 20.34 H new ATOM 0 HE2 TYR A 97 -5.464 11.887 -3.205 1.00 33.43 H new ATOM 0 HH TYR A 97 -3.613 13.270 -0.970 1.00 13.14 H new ATOM 1455 N MET A 98 -4.094 5.610 -5.563 1.00 21.30 N ATOM 1456 CA MET A 98 -3.789 4.788 -6.736 1.00 1.23 C ATOM 1457 C MET A 98 -3.281 5.726 -7.858 1.00 64.11 C ATOM 1458 O MET A 98 -4.005 6.618 -8.285 1.00 70.31 O ATOM 1459 CB MET A 98 -5.062 4.010 -7.150 1.00 12.21 C ATOM 1460 CG MET A 98 -4.931 3.194 -8.434 1.00 24.10 C ATOM 1461 SD MET A 98 -6.423 2.243 -8.815 1.00 40.04 S ATOM 1462 CE MET A 98 -7.639 3.543 -9.021 1.00 40.50 C ATOM 0 H MET A 98 -4.817 6.306 -5.744 1.00 21.30 H new ATOM 0 HA MET A 98 -3.012 4.053 -6.525 1.00 1.23 H new ATOM 0 HB2 MET A 98 -5.339 3.339 -6.337 1.00 12.21 H new ATOM 0 HB3 MET A 98 -5.880 4.720 -7.270 1.00 12.21 H new ATOM 0 HG2 MET A 98 -4.711 3.865 -9.265 1.00 24.10 H new ATOM 0 HG3 MET A 98 -4.085 2.513 -8.342 1.00 24.10 H new ATOM 0 HE1 MET A 98 -8.226 3.353 -9.920 1.00 40.50 H new ATOM 0 HE2 MET A 98 -8.299 3.564 -8.154 1.00 40.50 H new ATOM 0 HE3 MET A 98 -7.132 4.504 -9.115 1.00 40.50 H new ATOM 1472 N VAL A 99 -2.014 5.548 -8.287 1.00 2.02 N ATOM 1473 CA VAL A 99 -1.328 6.471 -9.240 1.00 1.12 C ATOM 1474 C VAL A 99 -0.757 5.733 -10.482 1.00 22.24 C ATOM 1475 O VAL A 99 -0.373 4.565 -10.406 1.00 11.15 O ATOM 1476 CB VAL A 99 -0.178 7.287 -8.519 1.00 3.21 C ATOM 1477 CG1 VAL A 99 -0.758 8.269 -7.463 1.00 52.15 C ATOM 1478 CG2 VAL A 99 0.875 6.336 -7.880 1.00 5.03 C ATOM 0 H VAL A 99 -1.432 4.765 -7.989 1.00 2.02 H new ATOM 0 HA VAL A 99 -2.090 7.165 -9.593 1.00 1.12 H new ATOM 0 HB VAL A 99 0.329 7.880 -9.280 1.00 3.21 H new ATOM 0 HG11 VAL A 99 0.057 8.814 -6.986 1.00 52.15 H new ATOM 0 HG12 VAL A 99 -1.429 8.975 -7.952 1.00 52.15 H new ATOM 0 HG13 VAL A 99 -1.310 7.708 -6.709 1.00 52.15 H new ATOM 0 HG21 VAL A 99 1.651 6.927 -7.393 1.00 5.03 H new ATOM 0 HG22 VAL A 99 0.389 5.698 -7.143 1.00 5.03 H new ATOM 0 HG23 VAL A 99 1.324 5.716 -8.656 1.00 5.03 H new ATOM 1488 N ASP A 100 -0.706 6.446 -11.630 1.00 55.43 N ATOM 1489 CA ASP A 100 -0.177 5.917 -12.915 1.00 2.24 C ATOM 1490 C ASP A 100 1.087 6.714 -13.334 1.00 11.45 C ATOM 1491 O ASP A 100 0.993 7.909 -13.619 1.00 2.05 O ATOM 1492 CB ASP A 100 -1.261 6.046 -14.023 1.00 64.54 C ATOM 1493 CG ASP A 100 -2.580 5.333 -13.683 1.00 33.31 C ATOM 1494 OD1 ASP A 100 -3.331 5.825 -12.815 1.00 31.10 O ATOM 1495 OD2 ASP A 100 -2.888 4.295 -14.293 1.00 50.42 O ATOM 0 H ASP A 100 -1.032 7.410 -11.695 1.00 55.43 H new ATOM 0 HA ASP A 100 0.086 4.867 -12.785 1.00 2.24 H new ATOM 0 HB2 ASP A 100 -1.464 7.102 -14.199 1.00 64.54 H new ATOM 0 HB3 ASP A 100 -0.867 5.638 -14.954 1.00 64.54 H new ATOM 1500 N TYR A 101 2.254 6.047 -13.410 1.00 54.31 N ATOM 1501 CA TYR A 101 3.562 6.710 -13.683 1.00 23.54 C ATOM 1502 C TYR A 101 4.412 5.908 -14.703 1.00 42.30 C ATOM 1503 O TYR A 101 4.011 4.846 -15.182 1.00 75.12 O ATOM 1504 CB TYR A 101 4.353 6.904 -12.346 1.00 75.32 C ATOM 1505 CG TYR A 101 4.815 5.596 -11.663 1.00 24.31 C ATOM 1506 CD1 TYR A 101 3.976 4.896 -10.792 1.00 45.13 C ATOM 1507 CD2 TYR A 101 6.089 5.060 -11.901 1.00 42.22 C ATOM 1508 CE1 TYR A 101 4.388 3.720 -10.194 1.00 40.01 C ATOM 1509 CE2 TYR A 101 6.501 3.886 -11.303 1.00 23.25 C ATOM 1510 CZ TYR A 101 5.648 3.218 -10.448 1.00 21.45 C ATOM 1511 OH TYR A 101 6.054 2.042 -9.848 1.00 11.42 O ATOM 0 H TYR A 101 2.327 5.037 -13.286 1.00 54.31 H new ATOM 0 HA TYR A 101 3.357 7.685 -14.125 1.00 23.54 H new ATOM 0 HB2 TYR A 101 5.229 7.520 -12.546 1.00 75.32 H new ATOM 0 HB3 TYR A 101 3.726 7.459 -11.648 1.00 75.32 H new ATOM 0 HD1 TYR A 101 2.989 5.280 -10.583 1.00 45.13 H new ATOM 0 HD2 TYR A 101 6.763 5.578 -12.567 1.00 42.22 H new ATOM 0 HE1 TYR A 101 3.722 3.193 -9.527 1.00 40.01 H new ATOM 0 HE2 TYR A 101 7.486 3.492 -11.503 1.00 23.25 H new ATOM 0 HH TYR A 101 6.075 2.161 -8.875 1.00 11.42 H new ATOM 1521 N THR A 102 5.588 6.462 -15.042 1.00 72.41 N ATOM 1522 CA THR A 102 6.640 5.775 -15.832 1.00 51.22 C ATOM 1523 C THR A 102 7.952 5.785 -15.026 1.00 14.15 C ATOM 1524 O THR A 102 8.414 6.851 -14.605 1.00 14.00 O ATOM 1525 CB THR A 102 6.860 6.465 -17.225 1.00 70.40 C ATOM 1526 OG1 THR A 102 5.642 6.402 -17.986 1.00 61.05 O ATOM 1527 CG2 THR A 102 8.014 5.826 -18.040 1.00 33.34 C ATOM 0 H THR A 102 5.844 7.412 -14.774 1.00 72.41 H new ATOM 0 HA THR A 102 6.321 4.750 -16.022 1.00 51.22 H new ATOM 0 HB THR A 102 7.141 7.500 -17.031 1.00 70.40 H new ATOM 0 HG1 THR A 102 5.777 6.834 -18.855 1.00 61.05 H new ATOM 0 HG21 THR A 102 8.118 6.345 -18.993 1.00 33.34 H new ATOM 0 HG22 THR A 102 8.945 5.908 -17.479 1.00 33.34 H new ATOM 0 HG23 THR A 102 7.792 4.775 -18.222 1.00 33.34 H new ATOM 1535 N SER A 103 8.534 4.591 -14.806 1.00 23.14 N ATOM 1536 CA SER A 103 9.753 4.417 -13.982 1.00 11.34 C ATOM 1537 C SER A 103 10.968 5.190 -14.561 1.00 72.31 C ATOM 1538 O SER A 103 11.294 5.062 -15.745 1.00 42.04 O ATOM 1539 CB SER A 103 10.091 2.912 -13.848 1.00 3.05 C ATOM 1540 OG SER A 103 11.281 2.705 -13.100 1.00 64.12 O ATOM 0 H SER A 103 8.175 3.718 -15.193 1.00 23.14 H new ATOM 0 HA SER A 103 9.544 4.834 -12.997 1.00 11.34 H new ATOM 0 HB2 SER A 103 9.263 2.395 -13.364 1.00 3.05 H new ATOM 0 HB3 SER A 103 10.204 2.475 -14.840 1.00 3.05 H new ATOM 0 HG SER A 103 11.413 3.454 -12.482 1.00 64.12 H new ATOM 1546 N THR A 104 11.610 6.005 -13.706 1.00 11.12 N ATOM 1547 CA THR A 104 12.816 6.789 -14.060 1.00 61.32 C ATOM 1548 C THR A 104 14.041 5.874 -14.275 1.00 61.32 C ATOM 1549 O THR A 104 14.800 6.040 -15.238 1.00 64.20 O ATOM 1550 CB THR A 104 13.148 7.832 -12.941 1.00 43.41 C ATOM 1551 OG1 THR A 104 13.352 7.153 -11.678 1.00 2.23 O ATOM 1552 CG2 THR A 104 12.028 8.879 -12.790 1.00 44.34 C ATOM 0 H THR A 104 11.308 6.142 -12.742 1.00 11.12 H new ATOM 0 HA THR A 104 12.597 7.310 -14.992 1.00 61.32 H new ATOM 0 HB THR A 104 14.060 8.353 -13.233 1.00 43.41 H new ATOM 0 HG1 THR A 104 12.894 7.644 -10.965 1.00 2.23 H new ATOM 0 HG21 THR A 104 12.294 9.586 -12.004 1.00 44.34 H new ATOM 0 HG22 THR A 104 11.901 9.414 -13.731 1.00 44.34 H new ATOM 0 HG23 THR A 104 11.096 8.379 -12.528 1.00 44.34 H new ATOM 1560 N THR A 105 14.213 4.909 -13.361 1.00 2.55 N ATOM 1561 CA THR A 105 15.352 3.966 -13.392 1.00 53.32 C ATOM 1562 C THR A 105 15.110 2.805 -14.389 1.00 71.14 C ATOM 1563 O THR A 105 15.891 2.603 -15.322 1.00 40.15 O ATOM 1564 CB THR A 105 15.649 3.392 -11.965 1.00 41.34 C ATOM 1565 OG1 THR A 105 15.835 4.475 -11.029 1.00 51.20 O ATOM 1566 CG2 THR A 105 16.898 2.490 -11.948 1.00 32.21 C ATOM 0 H THR A 105 13.573 4.756 -12.581 1.00 2.55 H new ATOM 0 HA THR A 105 16.221 4.530 -13.732 1.00 53.32 H new ATOM 0 HB THR A 105 14.791 2.784 -11.677 1.00 41.34 H new ATOM 0 HG1 THR A 105 16.019 4.110 -10.138 1.00 51.20 H new ATOM 0 HG21 THR A 105 17.063 2.116 -10.938 1.00 32.21 H new ATOM 0 HG22 THR A 105 16.749 1.650 -12.626 1.00 32.21 H new ATOM 0 HG23 THR A 105 17.767 3.065 -12.268 1.00 32.21 H new ATOM 1574 N SER A 106 14.007 2.060 -14.188 1.00 42.12 N ATOM 1575 CA SER A 106 13.720 0.804 -14.941 1.00 42.12 C ATOM 1576 C SER A 106 12.988 1.052 -16.286 1.00 71.03 C ATOM 1577 O SER A 106 13.007 0.194 -17.172 1.00 31.41 O ATOM 1578 CB SER A 106 12.891 -0.160 -14.060 1.00 24.52 C ATOM 1579 OG SER A 106 13.562 -0.441 -12.839 1.00 65.40 O ATOM 0 H SER A 106 13.288 2.301 -13.506 1.00 42.12 H new ATOM 0 HA SER A 106 14.684 0.357 -15.186 1.00 42.12 H new ATOM 0 HB2 SER A 106 11.917 0.281 -13.850 1.00 24.52 H new ATOM 0 HB3 SER A 106 12.711 -1.089 -14.602 1.00 24.52 H new ATOM 0 HG SER A 106 13.017 -1.051 -12.299 1.00 65.40 H new ATOM 1585 N GLY A 107 12.322 2.217 -16.426 1.00 11.31 N ATOM 1586 CA GLY A 107 11.616 2.581 -17.677 1.00 62.33 C ATOM 1587 C GLY A 107 10.167 2.073 -17.781 1.00 1.35 C ATOM 1588 O GLY A 107 9.398 2.587 -18.599 1.00 50.15 O ATOM 0 H GLY A 107 12.257 2.922 -15.691 1.00 11.31 H new ATOM 0 HA2 GLY A 107 11.611 3.667 -17.770 1.00 62.33 H new ATOM 0 HA3 GLY A 107 12.183 2.191 -18.522 1.00 62.33 H new ATOM 1592 N GLU A 108 9.801 1.071 -16.954 1.00 31.05 N ATOM 1593 CA GLU A 108 8.476 0.403 -17.012 1.00 72.01 C ATOM 1594 C GLU A 108 7.311 1.378 -16.689 1.00 73.31 C ATOM 1595 O GLU A 108 7.301 2.017 -15.633 1.00 30.34 O ATOM 1596 CB GLU A 108 8.446 -0.804 -16.032 1.00 54.11 C ATOM 1597 CG GLU A 108 7.174 -1.680 -16.134 1.00 64.41 C ATOM 1598 CD GLU A 108 7.149 -2.853 -15.132 1.00 41.23 C ATOM 1599 OE1 GLU A 108 7.984 -3.780 -15.264 1.00 41.11 O ATOM 1600 OE2 GLU A 108 6.293 -2.864 -14.226 1.00 24.05 O ATOM 0 H GLU A 108 10.412 0.700 -16.227 1.00 31.05 H new ATOM 0 HA GLU A 108 8.333 0.052 -18.034 1.00 72.01 H new ATOM 0 HB2 GLU A 108 9.319 -1.430 -16.219 1.00 54.11 H new ATOM 0 HB3 GLU A 108 8.534 -0.430 -15.012 1.00 54.11 H new ATOM 0 HG2 GLU A 108 6.297 -1.053 -15.969 1.00 64.41 H new ATOM 0 HG3 GLU A 108 7.096 -2.076 -17.146 1.00 64.41 H new ATOM 1607 N LYS A 109 6.337 1.473 -17.612 1.00 43.21 N ATOM 1608 CA LYS A 109 5.138 2.322 -17.446 1.00 22.02 C ATOM 1609 C LYS A 109 4.100 1.575 -16.577 1.00 73.25 C ATOM 1610 O LYS A 109 3.405 0.668 -17.047 1.00 75.25 O ATOM 1611 CB LYS A 109 4.564 2.707 -18.839 1.00 74.42 C ATOM 1612 CG LYS A 109 5.578 3.447 -19.744 1.00 12.34 C ATOM 1613 CD LYS A 109 5.052 3.699 -21.174 1.00 61.53 C ATOM 1614 CE LYS A 109 6.074 4.453 -22.046 1.00 24.32 C ATOM 1615 NZ LYS A 109 5.618 4.606 -23.454 1.00 44.41 N ATOM 0 H LYS A 109 6.357 0.964 -18.496 1.00 43.21 H new ATOM 0 HA LYS A 109 5.401 3.249 -16.936 1.00 22.02 H new ATOM 0 HB2 LYS A 109 4.229 1.803 -19.347 1.00 74.42 H new ATOM 0 HB3 LYS A 109 3.686 3.338 -18.699 1.00 74.42 H new ATOM 0 HG2 LYS A 109 5.834 4.402 -19.285 1.00 12.34 H new ATOM 0 HG3 LYS A 109 6.497 2.864 -19.800 1.00 12.34 H new ATOM 0 HD2 LYS A 109 4.810 2.746 -21.643 1.00 61.53 H new ATOM 0 HD3 LYS A 109 4.127 4.273 -21.123 1.00 61.53 H new ATOM 0 HE2 LYS A 109 6.256 5.438 -21.617 1.00 24.32 H new ATOM 0 HE3 LYS A 109 7.024 3.919 -22.031 1.00 24.32 H new ATOM 0 HZ1 LYS A 109 6.340 5.119 -23.999 1.00 44.41 H new ATOM 0 HZ2 LYS A 109 5.469 3.667 -23.875 1.00 44.41 H new ATOM 0 HZ3 LYS A 109 4.725 5.139 -23.474 1.00 44.41 H new ATOM 1629 N VAL A 110 4.025 1.964 -15.299 1.00 32.34 N ATOM 1630 CA VAL A 110 3.245 1.247 -14.268 1.00 53.02 C ATOM 1631 C VAL A 110 1.879 1.933 -14.053 1.00 2.31 C ATOM 1632 O VAL A 110 1.814 3.101 -13.659 1.00 71.13 O ATOM 1633 CB VAL A 110 4.035 1.160 -12.912 1.00 2.32 C ATOM 1634 CG1 VAL A 110 3.250 0.375 -11.830 1.00 72.22 C ATOM 1635 CG2 VAL A 110 5.441 0.549 -13.135 1.00 34.44 C ATOM 0 H VAL A 110 4.505 2.790 -14.943 1.00 32.34 H new ATOM 0 HA VAL A 110 3.076 0.230 -14.622 1.00 53.02 H new ATOM 0 HB VAL A 110 4.157 2.177 -12.540 1.00 2.32 H new ATOM 0 HG11 VAL A 110 3.834 0.340 -10.910 1.00 72.22 H new ATOM 0 HG12 VAL A 110 2.299 0.872 -11.638 1.00 72.22 H new ATOM 0 HG13 VAL A 110 3.064 -0.640 -12.180 1.00 72.22 H new ATOM 0 HG21 VAL A 110 5.971 0.498 -12.184 1.00 34.44 H new ATOM 0 HG22 VAL A 110 5.340 -0.454 -13.548 1.00 34.44 H new ATOM 0 HG23 VAL A 110 6.003 1.173 -13.830 1.00 34.44 H new ATOM 1645 N LYS A 111 0.793 1.188 -14.307 1.00 73.31 N ATOM 1646 CA LYS A 111 -0.591 1.713 -14.262 1.00 3.10 C ATOM 1647 C LYS A 111 -1.334 1.231 -12.991 1.00 15.52 C ATOM 1648 O LYS A 111 -1.217 0.064 -12.600 1.00 74.43 O ATOM 1649 CB LYS A 111 -1.401 1.336 -15.551 1.00 41.34 C ATOM 1650 CG LYS A 111 -1.634 -0.179 -15.820 1.00 43.13 C ATOM 1651 CD LYS A 111 -0.358 -0.931 -16.273 1.00 70.05 C ATOM 1652 CE LYS A 111 -0.588 -2.436 -16.480 1.00 2.10 C ATOM 1653 NZ LYS A 111 -1.570 -2.720 -17.556 1.00 44.25 N ATOM 0 H LYS A 111 0.844 0.199 -14.551 1.00 73.31 H new ATOM 0 HA LYS A 111 -0.517 2.800 -14.224 1.00 3.10 H new ATOM 0 HB2 LYS A 111 -2.374 1.824 -15.495 1.00 41.34 H new ATOM 0 HB3 LYS A 111 -0.883 1.757 -16.412 1.00 41.34 H new ATOM 0 HG2 LYS A 111 -2.018 -0.646 -14.913 1.00 43.13 H new ATOM 0 HG3 LYS A 111 -2.402 -0.290 -16.585 1.00 43.13 H new ATOM 0 HD2 LYS A 111 0.004 -0.493 -17.203 1.00 70.05 H new ATOM 0 HD3 LYS A 111 0.425 -0.788 -15.528 1.00 70.05 H new ATOM 0 HE2 LYS A 111 0.361 -2.915 -16.723 1.00 2.10 H new ATOM 0 HE3 LYS A 111 -0.938 -2.878 -15.547 1.00 2.10 H new ATOM 0 HZ1 LYS A 111 -1.638 -3.748 -17.701 1.00 44.25 H new ATOM 0 HZ2 LYS A 111 -2.501 -2.346 -17.283 1.00 44.25 H new ATOM 0 HZ3 LYS A 111 -1.259 -2.266 -18.438 1.00 44.25 H new ATOM 1667 N ASN A 112 -2.081 2.162 -12.364 1.00 15.54 N ATOM 1668 CA ASN A 112 -2.917 1.908 -11.165 1.00 63.04 C ATOM 1669 C ASN A 112 -2.112 1.316 -9.971 1.00 52.31 C ATOM 1670 O ASN A 112 -2.600 0.443 -9.235 1.00 52.40 O ATOM 1671 CB ASN A 112 -4.146 1.024 -11.536 1.00 51.14 C ATOM 1672 CG ASN A 112 -5.073 1.711 -12.540 1.00 52.45 C ATOM 1673 OD1 ASN A 112 -4.934 1.558 -13.751 1.00 35.22 O ATOM 1674 ND2 ASN A 112 -6.025 2.486 -12.049 1.00 53.31 N ATOM 0 H ASN A 112 -2.123 3.131 -12.680 1.00 15.54 H new ATOM 0 HA ASN A 112 -3.281 2.875 -10.817 1.00 63.04 H new ATOM 0 HB2 ASN A 112 -3.798 0.079 -11.953 1.00 51.14 H new ATOM 0 HB3 ASN A 112 -4.706 0.786 -10.632 1.00 51.14 H new ATOM 0 HD21 ASN A 112 -6.663 2.972 -12.679 1.00 53.31 H new ATOM 0 HD22 ASN A 112 -6.122 2.598 -11.040 1.00 53.31 H new ATOM 1681 N HIS A 113 -0.888 1.837 -9.777 1.00 54.13 N ATOM 1682 CA HIS A 113 0.003 1.459 -8.657 1.00 13.32 C ATOM 1683 C HIS A 113 -0.607 1.870 -7.290 1.00 22.15 C ATOM 1684 O HIS A 113 -1.061 3.002 -7.117 1.00 73.34 O ATOM 1685 CB HIS A 113 1.394 2.120 -8.848 1.00 41.23 C ATOM 1686 CG HIS A 113 2.389 1.818 -7.746 1.00 53.42 C ATOM 1687 ND1 HIS A 113 3.161 0.684 -7.766 1.00 35.53 N ATOM 1688 CD2 HIS A 113 2.668 2.515 -6.612 1.00 24.24 C ATOM 1689 CE1 HIS A 113 3.881 0.712 -6.659 1.00 72.15 C ATOM 1690 NE2 HIS A 113 3.616 1.801 -5.928 1.00 2.03 N ATOM 0 H HIS A 113 -0.482 2.539 -10.396 1.00 54.13 H new ATOM 0 HA HIS A 113 0.116 0.375 -8.658 1.00 13.32 H new ATOM 0 HB2 HIS A 113 1.812 1.789 -9.799 1.00 41.23 H new ATOM 0 HB3 HIS A 113 1.263 3.200 -8.916 1.00 41.23 H new ATOM 0 HD2 HIS A 113 2.226 3.453 -6.309 1.00 24.24 H new ATOM 0 HE1 HIS A 113 4.594 -0.049 -6.379 1.00 72.15 H new ATOM 0 HE2 HIS A 113 4.038 2.051 -5.034 1.00 2.03 H new ATOM 1698 N LYS A 114 -0.592 0.938 -6.323 1.00 14.20 N ATOM 1699 CA LYS A 114 -1.211 1.142 -4.994 1.00 63.33 C ATOM 1700 C LYS A 114 -0.496 0.296 -3.899 1.00 65.32 C ATOM 1701 O LYS A 114 0.074 -0.753 -4.208 1.00 31.31 O ATOM 1702 CB LYS A 114 -2.721 0.775 -5.088 1.00 31.11 C ATOM 1703 CG LYS A 114 -2.994 -0.702 -5.468 1.00 64.35 C ATOM 1704 CD LYS A 114 -4.483 -1.005 -5.761 1.00 2.54 C ATOM 1705 CE LYS A 114 -5.014 -0.185 -6.947 1.00 63.11 C ATOM 1706 NZ LYS A 114 -6.374 -0.588 -7.368 1.00 13.33 N ATOM 0 H LYS A 114 -0.153 0.024 -6.435 1.00 14.20 H new ATOM 0 HA LYS A 114 -1.105 2.187 -4.703 1.00 63.33 H new ATOM 0 HB2 LYS A 114 -3.195 0.985 -4.129 1.00 31.11 H new ATOM 0 HB3 LYS A 114 -3.195 1.422 -5.826 1.00 31.11 H new ATOM 0 HG2 LYS A 114 -2.401 -0.957 -6.346 1.00 64.35 H new ATOM 0 HG3 LYS A 114 -2.655 -1.345 -4.656 1.00 64.35 H new ATOM 0 HD2 LYS A 114 -4.602 -2.068 -5.973 1.00 2.54 H new ATOM 0 HD3 LYS A 114 -5.079 -0.788 -4.874 1.00 2.54 H new ATOM 0 HE2 LYS A 114 -5.022 0.871 -6.677 1.00 63.11 H new ATOM 0 HE3 LYS A 114 -4.332 -0.293 -7.790 1.00 63.11 H new ATOM 0 HZ1 LYS A 114 -6.791 0.160 -7.958 1.00 13.33 H new ATOM 0 HZ2 LYS A 114 -6.321 -1.471 -7.915 1.00 13.33 H new ATOM 0 HZ3 LYS A 114 -6.968 -0.737 -6.527 1.00 13.33 H new ATOM 1720 N TRP A 115 -0.490 0.728 -2.612 1.00 63.23 N ATOM 1721 CA TRP A 115 -1.031 2.031 -2.121 1.00 51.05 C ATOM 1722 C TRP A 115 0.119 3.008 -1.776 1.00 74.21 C ATOM 1723 O TRP A 115 1.166 2.585 -1.300 1.00 44.43 O ATOM 1724 CB TRP A 115 -1.930 1.799 -0.871 1.00 71.44 C ATOM 1725 CG TRP A 115 -3.127 0.904 -1.124 1.00 53.01 C ATOM 1726 CD1 TRP A 115 -3.279 -0.413 -0.764 1.00 22.14 C ATOM 1727 CD2 TRP A 115 -4.338 1.268 -1.807 1.00 40.05 C ATOM 1728 NE1 TRP A 115 -4.498 -0.879 -1.182 1.00 5.42 N ATOM 1729 CE2 TRP A 115 -5.164 0.130 -1.829 1.00 50.12 C ATOM 1730 CE3 TRP A 115 -4.797 2.448 -2.408 1.00 62.33 C ATOM 1731 CZ2 TRP A 115 -6.424 0.136 -2.424 1.00 60.40 C ATOM 1732 CZ3 TRP A 115 -6.047 2.453 -2.999 1.00 70.01 C ATOM 1733 CH2 TRP A 115 -6.848 1.303 -3.005 1.00 33.31 C ATOM 0 H TRP A 115 -0.096 0.163 -1.859 1.00 63.23 H new ATOM 0 HA TRP A 115 -1.632 2.475 -2.915 1.00 51.05 H new ATOM 0 HB2 TRP A 115 -1.324 1.361 -0.078 1.00 71.44 H new ATOM 0 HB3 TRP A 115 -2.283 2.764 -0.507 1.00 71.44 H new ATOM 0 HD1 TRP A 115 -2.544 -0.997 -0.229 1.00 22.14 H new ATOM 0 HE1 TRP A 115 -4.853 -1.824 -1.035 1.00 5.42 H new ATOM 0 HE3 TRP A 115 -4.185 3.338 -2.409 1.00 62.33 H new ATOM 0 HZ2 TRP A 115 -7.045 -0.748 -2.427 1.00 60.40 H new ATOM 0 HZ3 TRP A 115 -6.412 3.357 -3.463 1.00 70.01 H new ATOM 0 HH2 TRP A 115 -7.819 1.337 -3.477 1.00 33.31 H new ATOM 1744 N VAL A 116 -0.094 4.314 -2.033 1.00 20.22 N ATOM 1745 CA VAL A 116 0.897 5.398 -1.732 1.00 23.20 C ATOM 1746 C VAL A 116 0.225 6.563 -0.969 1.00 63.13 C ATOM 1747 O VAL A 116 -0.946 6.833 -1.168 1.00 24.30 O ATOM 1748 CB VAL A 116 1.579 5.955 -3.046 1.00 55.35 C ATOM 1749 CG1 VAL A 116 2.461 4.879 -3.730 1.00 52.13 C ATOM 1750 CG2 VAL A 116 0.520 6.517 -4.034 1.00 63.12 C ATOM 0 H VAL A 116 -0.955 4.660 -2.456 1.00 20.22 H new ATOM 0 HA VAL A 116 1.670 4.953 -1.106 1.00 23.20 H new ATOM 0 HB VAL A 116 2.232 6.776 -2.750 1.00 55.35 H new ATOM 0 HG11 VAL A 116 2.913 5.297 -4.629 1.00 52.13 H new ATOM 0 HG12 VAL A 116 3.246 4.561 -3.043 1.00 52.13 H new ATOM 0 HG13 VAL A 116 1.845 4.021 -3.999 1.00 52.13 H new ATOM 0 HG21 VAL A 116 1.019 6.893 -4.927 1.00 63.12 H new ATOM 0 HG22 VAL A 116 -0.175 5.724 -4.312 1.00 63.12 H new ATOM 0 HG23 VAL A 116 -0.028 7.329 -3.556 1.00 63.12 H new ATOM 1760 N THR A 117 0.968 7.258 -0.103 1.00 20.24 N ATOM 1761 CA THR A 117 0.416 8.393 0.691 1.00 50.21 C ATOM 1762 C THR A 117 0.663 9.757 0.008 1.00 21.34 C ATOM 1763 O THR A 117 1.419 9.853 -0.963 1.00 12.25 O ATOM 1764 CB THR A 117 0.996 8.412 2.146 1.00 42.22 C ATOM 1765 OG1 THR A 117 2.423 8.562 2.120 1.00 53.13 O ATOM 1766 CG2 THR A 117 0.631 7.130 2.907 1.00 14.52 C ATOM 0 H THR A 117 1.954 7.066 0.076 1.00 20.24 H new ATOM 0 HA THR A 117 -0.661 8.233 0.746 1.00 50.21 H new ATOM 0 HB THR A 117 0.553 9.263 2.663 1.00 42.22 H new ATOM 0 HG1 THR A 117 2.768 8.573 3.037 1.00 53.13 H new ATOM 0 HG21 THR A 117 1.048 7.173 3.913 1.00 14.52 H new ATOM 0 HG22 THR A 117 -0.454 7.039 2.967 1.00 14.52 H new ATOM 0 HG23 THR A 117 1.039 6.266 2.382 1.00 14.52 H new ATOM 1774 N GLU A 118 0.000 10.817 0.520 1.00 3.21 N ATOM 1775 CA GLU A 118 0.179 12.203 0.017 1.00 60.10 C ATOM 1776 C GLU A 118 1.568 12.767 0.418 1.00 63.31 C ATOM 1777 O GLU A 118 2.119 13.647 -0.252 1.00 35.14 O ATOM 1778 CB GLU A 118 -0.960 13.107 0.552 1.00 60.24 C ATOM 1779 CG GLU A 118 -0.957 14.550 0.010 1.00 63.14 C ATOM 1780 CD GLU A 118 -2.153 15.373 0.506 1.00 54.13 C ATOM 1781 OE1 GLU A 118 -3.247 15.251 -0.088 1.00 34.10 O ATOM 1782 OE2 GLU A 118 -2.011 16.132 1.493 1.00 45.23 O ATOM 0 H GLU A 118 -0.669 10.741 1.286 1.00 3.21 H new ATOM 0 HA GLU A 118 0.133 12.187 -1.072 1.00 60.10 H new ATOM 0 HB2 GLU A 118 -1.916 12.645 0.306 1.00 60.24 H new ATOM 0 HB3 GLU A 118 -0.894 13.143 1.639 1.00 60.24 H new ATOM 0 HG2 GLU A 118 -0.033 15.044 0.309 1.00 63.14 H new ATOM 0 HG3 GLU A 118 -0.966 14.524 -1.080 1.00 63.14 H new ATOM 1789 N ASP A 119 2.120 12.224 1.519 1.00 12.30 N ATOM 1790 CA ASP A 119 3.518 12.468 1.962 1.00 22.44 C ATOM 1791 C ASP A 119 4.548 11.999 0.879 1.00 13.25 C ATOM 1792 O ASP A 119 5.705 12.444 0.857 1.00 33.03 O ATOM 1793 CB ASP A 119 3.725 11.720 3.310 1.00 14.35 C ATOM 1794 CG ASP A 119 5.096 11.972 3.968 1.00 14.30 C ATOM 1795 OD1 ASP A 119 5.286 13.050 4.576 1.00 31.14 O ATOM 1796 OD2 ASP A 119 5.990 11.099 3.884 1.00 72.14 O ATOM 0 H ASP A 119 1.607 11.595 2.137 1.00 12.30 H new ATOM 0 HA ASP A 119 3.687 13.536 2.101 1.00 22.44 H new ATOM 0 HB2 ASP A 119 2.940 12.021 4.004 1.00 14.35 H new ATOM 0 HB3 ASP A 119 3.607 10.650 3.141 1.00 14.35 H new ATOM 1801 N GLU A 120 4.085 11.111 -0.026 1.00 14.04 N ATOM 1802 CA GLU A 120 4.887 10.558 -1.137 1.00 65.41 C ATOM 1803 C GLU A 120 4.590 11.247 -2.498 1.00 3.01 C ATOM 1804 O GLU A 120 5.255 10.956 -3.490 1.00 12.32 O ATOM 1805 CB GLU A 120 4.620 9.030 -1.226 1.00 63.11 C ATOM 1806 CG GLU A 120 4.977 8.260 0.062 1.00 62.11 C ATOM 1807 CD GLU A 120 4.795 6.741 -0.061 1.00 5.12 C ATOM 1808 OE1 GLU A 120 5.652 6.092 -0.694 1.00 30.32 O ATOM 1809 OE2 GLU A 120 3.806 6.189 0.489 1.00 75.53 O ATOM 0 H GLU A 120 3.130 10.753 -0.005 1.00 14.04 H new ATOM 0 HA GLU A 120 5.939 10.751 -0.927 1.00 65.41 H new ATOM 0 HB2 GLU A 120 3.567 8.867 -1.455 1.00 63.11 H new ATOM 0 HB3 GLU A 120 5.194 8.618 -2.056 1.00 63.11 H new ATOM 0 HG2 GLU A 120 6.012 8.473 0.328 1.00 62.11 H new ATOM 0 HG3 GLU A 120 4.356 8.627 0.879 1.00 62.11 H new ATOM 1816 N LEU A 121 3.630 12.198 -2.529 1.00 15.13 N ATOM 1817 CA LEU A 121 3.166 12.863 -3.787 1.00 44.43 C ATOM 1818 C LEU A 121 3.413 14.391 -3.728 1.00 12.20 C ATOM 1819 O LEU A 121 3.543 14.962 -2.646 1.00 33.32 O ATOM 1820 CB LEU A 121 1.648 12.592 -4.017 1.00 34.41 C ATOM 1821 CG LEU A 121 1.222 11.093 -4.146 1.00 52.12 C ATOM 1822 CD1 LEU A 121 -0.308 10.958 -4.316 1.00 13.15 C ATOM 1823 CD2 LEU A 121 1.973 10.386 -5.299 1.00 4.05 C ATOM 0 H LEU A 121 3.151 12.531 -1.692 1.00 15.13 H new ATOM 0 HA LEU A 121 3.738 12.445 -4.616 1.00 44.43 H new ATOM 0 HB2 LEU A 121 1.093 13.035 -3.190 1.00 34.41 H new ATOM 0 HB3 LEU A 121 1.341 13.114 -4.923 1.00 34.41 H new ATOM 0 HG LEU A 121 1.501 10.595 -3.217 1.00 52.12 H new ATOM 0 HD11 LEU A 121 -0.573 9.904 -4.403 1.00 13.15 H new ATOM 0 HD12 LEU A 121 -0.810 11.388 -3.449 1.00 13.15 H new ATOM 0 HD13 LEU A 121 -0.622 11.487 -5.216 1.00 13.15 H new ATOM 0 HD21 LEU A 121 1.652 9.346 -5.359 1.00 4.05 H new ATOM 0 HD22 LEU A 121 1.751 10.889 -6.240 1.00 4.05 H new ATOM 0 HD23 LEU A 121 3.046 10.424 -5.111 1.00 4.05 H new ATOM 1835 N SER A 122 3.491 15.045 -4.908 1.00 70.42 N ATOM 1836 CA SER A 122 3.653 16.522 -5.016 1.00 63.41 C ATOM 1837 C SER A 122 2.882 17.057 -6.242 1.00 74.31 C ATOM 1838 O SER A 122 3.159 16.641 -7.360 1.00 54.13 O ATOM 1839 CB SER A 122 5.154 16.883 -5.140 1.00 62.21 C ATOM 1840 OG SER A 122 5.360 18.287 -5.251 1.00 41.22 O ATOM 0 H SER A 122 3.444 14.572 -5.811 1.00 70.42 H new ATOM 0 HA SER A 122 3.248 16.984 -4.116 1.00 63.41 H new ATOM 0 HB2 SER A 122 5.690 16.506 -4.269 1.00 62.21 H new ATOM 0 HB3 SER A 122 5.575 16.385 -6.013 1.00 62.21 H new ATOM 0 HG SER A 122 6.320 18.472 -5.325 1.00 41.22 H new ATOM 1846 N ALA A 123 1.946 18.007 -6.036 1.00 62.42 N ATOM 1847 CA ALA A 123 1.066 18.522 -7.123 1.00 1.35 C ATOM 1848 C ALA A 123 1.869 19.342 -8.169 1.00 24.20 C ATOM 1849 O ALA A 123 2.466 20.376 -7.844 1.00 50.13 O ATOM 1850 CB ALA A 123 -0.087 19.345 -6.532 1.00 52.25 C ATOM 0 H ALA A 123 1.775 18.438 -5.127 1.00 62.42 H new ATOM 0 HA ALA A 123 0.642 17.666 -7.648 1.00 1.35 H new ATOM 0 HB1 ALA A 123 -0.721 19.714 -7.338 1.00 52.25 H new ATOM 0 HB2 ALA A 123 -0.677 18.717 -5.865 1.00 52.25 H new ATOM 0 HB3 ALA A 123 0.317 20.189 -5.973 1.00 52.25 H new ATOM 1856 N LYS A 124 1.881 18.856 -9.424 1.00 11.20 N ATOM 1857 CA LYS A 124 2.754 19.380 -10.497 1.00 54.41 C ATOM 1858 C LYS A 124 1.962 20.228 -11.529 1.00 62.45 C ATOM 1859 O LYS A 124 0.899 19.811 -12.002 1.00 4.01 O ATOM 1860 CB LYS A 124 3.461 18.186 -11.202 1.00 22.23 C ATOM 1861 CG LYS A 124 4.691 18.574 -12.083 1.00 4.20 C ATOM 1862 CD LYS A 124 4.576 18.165 -13.573 1.00 54.01 C ATOM 1863 CE LYS A 124 4.255 16.672 -13.787 1.00 22.42 C ATOM 1864 NZ LYS A 124 4.314 16.296 -15.222 1.00 34.22 N ATOM 0 H LYS A 124 1.284 18.086 -9.726 1.00 11.20 H new ATOM 0 HA LYS A 124 3.495 20.040 -10.047 1.00 54.41 H new ATOM 0 HB2 LYS A 124 3.787 17.476 -10.442 1.00 22.23 H new ATOM 0 HB3 LYS A 124 2.733 17.670 -11.828 1.00 22.23 H new ATOM 0 HG2 LYS A 124 4.835 19.653 -12.027 1.00 4.20 H new ATOM 0 HG3 LYS A 124 5.583 18.111 -11.661 1.00 4.20 H new ATOM 0 HD2 LYS A 124 3.799 18.765 -14.046 1.00 54.01 H new ATOM 0 HD3 LYS A 124 5.513 18.401 -14.078 1.00 54.01 H new ATOM 0 HE2 LYS A 124 4.962 16.064 -13.222 1.00 22.42 H new ATOM 0 HE3 LYS A 124 3.262 16.454 -13.395 1.00 22.42 H new ATOM 0 HZ1 LYS A 124 3.767 15.425 -15.375 1.00 34.22 H new ATOM 0 HZ2 LYS A 124 3.912 17.063 -15.799 1.00 34.22 H new ATOM 0 HZ3 LYS A 124 5.304 16.137 -15.499 1.00 34.22 H new ATOM 1878 N LEU A 125 2.506 21.410 -11.883 1.00 0.24 N ATOM 1879 CA LEU A 125 1.913 22.318 -12.897 1.00 3.15 C ATOM 1880 C LEU A 125 2.895 22.521 -14.082 1.00 33.24 C ATOM 1881 O LEU A 125 4.105 22.678 -13.875 1.00 4.24 O ATOM 1882 CB LEU A 125 1.565 23.690 -12.246 1.00 52.23 C ATOM 1883 CG LEU A 125 0.863 24.734 -13.174 1.00 3.32 C ATOM 1884 CD1 LEU A 125 -0.510 24.224 -13.676 1.00 72.44 C ATOM 1885 CD2 LEU A 125 0.729 26.101 -12.470 1.00 40.20 C ATOM 0 H LEU A 125 3.371 21.766 -11.475 1.00 0.24 H new ATOM 0 HA LEU A 125 0.998 21.866 -13.279 1.00 3.15 H new ATOM 0 HB2 LEU A 125 0.921 23.508 -11.386 1.00 52.23 H new ATOM 0 HB3 LEU A 125 2.486 24.133 -11.866 1.00 52.23 H new ATOM 0 HG LEU A 125 1.497 24.869 -14.051 1.00 3.32 H new ATOM 0 HD11 LEU A 125 -0.966 24.978 -14.318 1.00 72.44 H new ATOM 0 HD12 LEU A 125 -0.371 23.302 -14.241 1.00 72.44 H new ATOM 0 HD13 LEU A 125 -1.161 24.032 -12.823 1.00 72.44 H new ATOM 0 HD21 LEU A 125 0.237 26.808 -13.138 1.00 40.20 H new ATOM 0 HD22 LEU A 125 0.136 25.986 -11.563 1.00 40.20 H new ATOM 0 HD23 LEU A 125 1.719 26.475 -12.211 1.00 40.20 H new ATOM 1897 N GLU A 126 2.359 22.502 -15.321 1.00 11.03 N ATOM 1898 CA GLU A 126 3.130 22.759 -16.567 1.00 62.32 C ATOM 1899 C GLU A 126 2.417 23.829 -17.428 1.00 51.02 C ATOM 1900 O GLU A 126 1.202 23.750 -17.654 1.00 3.42 O ATOM 1901 CB GLU A 126 3.310 21.443 -17.388 1.00 71.51 C ATOM 1902 CG GLU A 126 4.213 20.385 -16.717 1.00 33.23 C ATOM 1903 CD GLU A 126 4.303 19.066 -17.508 1.00 2.02 C ATOM 1904 OE1 GLU A 126 3.472 18.162 -17.275 1.00 12.54 O ATOM 1905 OE2 GLU A 126 5.201 18.928 -18.368 1.00 64.40 O ATOM 0 H GLU A 126 1.372 22.307 -15.491 1.00 11.03 H new ATOM 0 HA GLU A 126 4.116 23.129 -16.288 1.00 62.32 H new ATOM 0 HB2 GLU A 126 2.328 21.004 -17.565 1.00 71.51 H new ATOM 0 HB3 GLU A 126 3.728 21.693 -18.363 1.00 71.51 H new ATOM 0 HG2 GLU A 126 5.215 20.797 -16.597 1.00 33.23 H new ATOM 0 HG3 GLU A 126 3.833 20.175 -15.717 1.00 33.23 H new ATOM 1912 N HIS A 127 3.189 24.824 -17.901 1.00 1.32 N ATOM 1913 CA HIS A 127 2.693 25.899 -18.787 1.00 64.10 C ATOM 1914 C HIS A 127 2.730 25.420 -20.263 1.00 61.44 C ATOM 1915 O HIS A 127 3.770 24.944 -20.718 1.00 51.41 O ATOM 1916 CB HIS A 127 3.574 27.160 -18.576 1.00 53.23 C ATOM 1917 CG HIS A 127 3.063 28.415 -19.233 1.00 3.34 C ATOM 1918 ND1 HIS A 127 2.021 29.160 -18.721 1.00 51.53 N ATOM 1919 CD2 HIS A 127 3.462 29.061 -20.353 1.00 33.43 C ATOM 1920 CE1 HIS A 127 1.807 30.204 -19.492 1.00 2.21 C ATOM 1921 NE2 HIS A 127 2.668 30.171 -20.484 1.00 61.24 N ATOM 0 H HIS A 127 4.181 24.908 -17.679 1.00 1.32 H new ATOM 0 HA HIS A 127 1.660 26.148 -18.546 1.00 64.10 H new ATOM 0 HB2 HIS A 127 3.670 27.342 -17.506 1.00 53.23 H new ATOM 0 HB3 HIS A 127 4.575 26.952 -18.955 1.00 53.23 H new ATOM 0 HD2 HIS A 127 4.257 28.759 -21.019 1.00 33.43 H new ATOM 0 HE1 HIS A 127 1.052 30.960 -19.336 1.00 2.21 H new ATOM 0 HE2 HIS A 127 2.735 30.861 -21.232 1.00 61.24 H new ATOM 1930 N HIS A 128 1.597 25.564 -20.997 1.00 34.00 N ATOM 1931 CA HIS A 128 1.431 25.010 -22.373 1.00 14.00 C ATOM 1932 C HIS A 128 2.534 25.509 -23.352 1.00 22.31 C ATOM 1933 O HIS A 128 3.412 24.735 -23.748 1.00 70.20 O ATOM 1934 CB HIS A 128 0.020 25.344 -22.926 1.00 24.15 C ATOM 1935 CG HIS A 128 -1.114 24.760 -22.115 1.00 14.01 C ATOM 1936 ND1 HIS A 128 -1.852 25.495 -21.215 1.00 31.14 N ATOM 1937 CD2 HIS A 128 -1.617 23.502 -22.061 1.00 3.31 C ATOM 1938 CE1 HIS A 128 -2.753 24.727 -20.646 1.00 43.51 C ATOM 1939 NE2 HIS A 128 -2.636 23.513 -21.138 1.00 23.13 N ATOM 0 H HIS A 128 0.775 26.064 -20.658 1.00 34.00 H new ATOM 0 HA HIS A 128 1.538 23.928 -22.298 1.00 14.00 H new ATOM 0 HB2 HIS A 128 -0.096 26.427 -22.966 1.00 24.15 H new ATOM 0 HB3 HIS A 128 -0.053 24.978 -23.950 1.00 24.15 H new ATOM 0 HD2 HIS A 128 -1.281 22.651 -22.635 1.00 3.31 H new ATOM 0 HE1 HIS A 128 -3.469 25.040 -19.900 1.00 43.51 H new ATOM 0 HE2 HIS A 128 -3.208 22.710 -20.877 1.00 23.13 H new ATOM 1948 N HIS A 129 2.488 26.805 -23.722 1.00 50.31 N ATOM 1949 CA HIS A 129 3.533 27.443 -24.554 1.00 14.40 C ATOM 1950 C HIS A 129 4.679 27.966 -23.647 1.00 41.41 C ATOM 1951 O HIS A 129 4.813 29.169 -23.389 1.00 4.22 O ATOM 1952 CB HIS A 129 2.905 28.566 -25.428 1.00 62.45 C ATOM 1953 CG HIS A 129 3.854 29.204 -26.417 1.00 13.33 C ATOM 1954 ND1 HIS A 129 4.349 28.537 -27.517 1.00 41.40 N ATOM 1955 CD2 HIS A 129 4.405 30.442 -26.462 1.00 74.15 C ATOM 1956 CE1 HIS A 129 5.162 29.329 -28.184 1.00 51.23 C ATOM 1957 NE2 HIS A 129 5.211 30.487 -27.570 1.00 14.15 N ATOM 0 H HIS A 129 1.732 27.436 -23.456 1.00 50.31 H new ATOM 0 HA HIS A 129 3.966 26.711 -25.236 1.00 14.40 H new ATOM 0 HB2 HIS A 129 2.058 28.151 -25.974 1.00 62.45 H new ATOM 0 HB3 HIS A 129 2.512 29.342 -24.771 1.00 62.45 H new ATOM 0 HD2 HIS A 129 4.240 31.243 -25.757 1.00 74.15 H new ATOM 0 HE1 HIS A 129 5.698 29.069 -29.085 1.00 51.23 H new ATOM 0 HE2 HIS A 129 5.761 31.292 -27.869 1.00 14.15 H new ATOM 1966 N HIS A 130 5.469 27.015 -23.127 1.00 73.51 N ATOM 1967 CA HIS A 130 6.592 27.289 -22.204 1.00 34.40 C ATOM 1968 C HIS A 130 7.887 27.673 -22.968 1.00 13.23 C ATOM 1969 O HIS A 130 8.688 28.485 -22.485 1.00 4.34 O ATOM 1970 CB HIS A 130 6.824 26.056 -21.279 1.00 62.31 C ATOM 1971 CG HIS A 130 7.019 24.742 -22.008 1.00 32.05 C ATOM 1972 ND1 HIS A 130 5.975 23.893 -22.317 1.00 22.12 N ATOM 1973 CD2 HIS A 130 8.135 24.138 -22.494 1.00 61.54 C ATOM 1974 CE1 HIS A 130 6.434 22.838 -22.953 1.00 32.13 C ATOM 1975 NE2 HIS A 130 7.736 22.960 -23.073 1.00 61.52 N ATOM 0 H HIS A 130 5.349 26.023 -23.334 1.00 73.51 H new ATOM 0 HA HIS A 130 6.328 28.148 -21.588 1.00 34.40 H new ATOM 0 HB2 HIS A 130 7.700 26.245 -20.659 1.00 62.31 H new ATOM 0 HB3 HIS A 130 5.972 25.959 -20.606 1.00 62.31 H new ATOM 0 HD1 HIS A 130 4.995 24.059 -22.087 1.00 22.12 H new ATOM 0 HD2 HIS A 130 9.146 24.514 -22.435 1.00 61.54 H new ATOM 0 HE1 HIS A 130 5.841 22.011 -23.315 1.00 32.13 H new ATOM 1984 N HIS A 131 8.075 27.076 -24.159 1.00 43.35 N ATOM 1985 CA HIS A 131 9.271 27.302 -24.997 1.00 11.41 C ATOM 1986 C HIS A 131 9.242 28.704 -25.658 1.00 41.44 C ATOM 1987 O HIS A 131 8.336 29.012 -26.443 1.00 53.31 O ATOM 1988 CB HIS A 131 9.378 26.198 -26.081 1.00 3.31 C ATOM 1989 CG HIS A 131 10.567 26.345 -27.004 1.00 21.23 C ATOM 1990 ND1 HIS A 131 10.520 27.074 -28.173 1.00 12.30 N ATOM 1991 CD2 HIS A 131 11.830 25.859 -26.926 1.00 54.10 C ATOM 1992 CE1 HIS A 131 11.690 27.035 -28.765 1.00 35.14 C ATOM 1993 NE2 HIS A 131 12.505 26.304 -28.036 1.00 32.24 N ATOM 0 H HIS A 131 7.405 26.425 -24.568 1.00 43.35 H new ATOM 0 HA HIS A 131 10.148 27.256 -24.352 1.00 11.41 H new ATOM 0 HB2 HIS A 131 9.432 25.227 -25.589 1.00 3.31 H new ATOM 0 HB3 HIS A 131 8.466 26.202 -26.678 1.00 3.31 H new ATOM 0 HD2 HIS A 131 12.230 25.238 -26.138 1.00 54.10 H new ATOM 0 HE1 HIS A 131 11.942 27.522 -29.696 1.00 35.14 H new ATOM 0 HE2 HIS A 131 13.479 26.101 -28.259 1.00 32.24 H new ATOM 2002 N HIS A 132 10.243 29.536 -25.323 1.00 52.34 N ATOM 2003 CA HIS A 132 10.451 30.860 -25.951 1.00 52.31 C ATOM 2004 C HIS A 132 11.476 30.735 -27.126 1.00 3.15 C ATOM 2005 O HIS A 132 11.051 30.483 -28.277 1.00 37.61 O ATOM 2006 CB HIS A 132 10.923 31.884 -24.877 1.00 35.22 C ATOM 2007 CG HIS A 132 9.961 32.050 -23.726 1.00 43.00 C ATOM 2008 ND1 HIS A 132 10.313 31.867 -22.403 1.00 1.10 N ATOM 2009 CD2 HIS A 132 8.651 32.387 -23.710 1.00 31.51 C ATOM 2010 CE1 HIS A 132 9.268 32.080 -21.634 1.00 43.14 C ATOM 2011 NE2 HIS A 132 8.248 32.397 -22.400 1.00 51.34 N ATOM 2012 OXT HIS A 132 12.706 30.846 -26.889 1.00 37.61 O ATOM 0 H HIS A 132 10.935 29.312 -24.607 1.00 52.34 H new ATOM 0 HA HIS A 132 9.512 31.224 -26.368 1.00 52.31 H new ATOM 0 HB2 HIS A 132 11.890 31.567 -24.487 1.00 35.22 H new ATOM 0 HB3 HIS A 132 11.074 32.852 -25.354 1.00 35.22 H new ATOM 0 HD2 HIS A 132 8.036 32.607 -24.570 1.00 31.51 H new ATOM 0 HE1 HIS A 132 9.251 32.007 -20.557 1.00 43.14 H new ATOM 0 HE2 HIS A 132 7.307 32.615 -22.072 1.00 51.34 H new TER 2021 HIS A 132