USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=47 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 10 ASN :FLIP amide:sc= 0.668 F(o=0.33,f=1.4) USER MOD Set 1.2: A 122 SER OG : rot 84:sc= 0.765 USER MOD Set 2.1: A 12 SER OG : rot 66:sc=-0.00514 USER MOD Set 2.2: A 17 MET CE :methyl 170:sc= -0.0107 (180deg=-0.168) USER MOD Set 2.3: A 113 HIS : no HE2:sc= -0.812 K(o=-0.83,f=-1.5) USER MOD Set 3.1: A 25 THR OG1 : rot -112:sc= 0.26 USER MOD Set 3.2: A 98 MET CE :methyl -118:sc= 0 (180deg=-0.0529) USER MOD Set 3.3: A 112 ASN : amide:sc= -0.326 X(o=-0.066,f=0.25) USER MOD Set 4.1: A 37 TYR OH : rot 152:sc= 0.87 USER MOD Set 4.2: A 49 HIS : no HD1:sc= 0.962 K(o=2.1,f=-6.7!) USER MOD Set 4.3: A 77 HIS : no HD1:sc= 0.687 K(o=2.1,f=-3.1) USER MOD Set 4.4: A 78 MET CE :methyl 141:sc= -0.229 (180deg=-0.148) USER MOD Set 4.5: A 81 MET CE :methyl 157:sc= -0.142 (180deg=-0.573) USER MOD Set 5.1: A 40 THR OG1 : rot 180:sc= -1.05 USER MOD Set 5.2: A 41 ASN : amide:sc= -4.77! C(o=-5.8!,f=-6.1!) USER MOD Set 6.1: A 31 THR OG1 : rot 180:sc= 1.05 USER MOD Set 6.2: A 93 LYS NZ :NH3+ -127:sc= 1.31 (180deg=0) USER MOD Set 7.1: A 13 HIS : no HE2:sc= -0.709 K(o=-2.2,f=-6.8) USER MOD Set 7.2: A 50 LYS NZ :NH3+ 151:sc= -1.53! (180deg=-0.47) USER MOD Set 8.1: A 1 MET N :NH3+ -174:sc= 0.771 (180deg=0.547) USER MOD Set 8.2: A 97 TYR OH : rot 62:sc= 0.606 USER MOD Single : A 1 MET CE :methyl -121:sc= -0.0301 (180deg=-0.229) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -134:sc= -0.254 (180deg=-1.91!) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= -0.0141 (180deg=-0.103) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 33 TYR OH : rot 180:sc= 0.0407 USER MOD Single : A 36 SER OG : rot 180:sc= 0.249 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 48 HIS : no HD1:sc= -0.0375 X(o=-0.038,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.159 K(o=0.16,f=-0.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.346 K(o=-0.35,f=-1.4) USER MOD Single : A 70 GLN : amide:sc= 0.217 X(o=0.22,f=-0.24) USER MOD Single : A 76 SER OG : rot 89:sc= 0.359 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.0205 (180deg=-0.214) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00798 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -81:sc= -0.386 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0542) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= 1.32 (180deg=0.0262) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 124 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0389) 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=-0.0084) USER MOD Single : A 129 HIS : no HD1:sc= -0.0644 K(o=-0.064,f=-0.58) USER MOD Single : A 130 HIS : no HE2:sc= 0.246 K(o=0.25,f=-1.8) USER MOD Single : A 131 HIS : no HE2:sc= 0.044 X(o=0.044,f=-0.22) USER MOD Single : A 132 HIS : no HD1:sc= -0.0079 X(o=-0.0079,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.910 15.525 -2.015 1.00 11.21 N ATOM 2 CA MET A 1 -4.594 15.598 -3.463 1.00 64.22 C ATOM 3 C MET A 1 -5.884 15.464 -4.297 1.00 12.00 C ATOM 4 O MET A 1 -6.651 14.513 -4.112 1.00 65.42 O ATOM 5 CB MET A 1 -3.571 14.497 -3.858 1.00 4.13 C ATOM 6 CG MET A 1 -2.225 14.587 -3.130 1.00 13.33 C ATOM 7 SD MET A 1 -1.391 16.159 -3.446 1.00 14.43 S ATOM 8 CE MET A 1 0.092 15.994 -2.454 1.00 52.24 C ATOM 0 H1 MET A 1 -4.051 15.718 -1.462 1.00 11.21 H new ATOM 0 H2 MET A 1 -5.637 16.231 -1.782 1.00 11.21 H new ATOM 0 H3 MET A 1 -5.264 14.575 -1.784 1.00 11.21 H new ATOM 0 HA MET A 1 -4.144 16.569 -3.671 1.00 64.22 H new ATOM 0 HB2 MET A 1 -4.013 13.521 -3.659 1.00 4.13 H new ATOM 0 HB3 MET A 1 -3.393 14.553 -4.932 1.00 4.13 H new ATOM 0 HG2 MET A 1 -2.384 14.469 -2.058 1.00 13.33 H new ATOM 0 HG3 MET A 1 -1.584 13.765 -3.449 1.00 13.33 H new ATOM 0 HE1 MET A 1 0.132 16.801 -1.722 1.00 52.24 H new ATOM 0 HE2 MET A 1 0.078 15.035 -1.936 1.00 52.24 H new ATOM 0 HE3 MET A 1 0.969 16.045 -3.099 1.00 52.24 H new ATOM 20 N LYS A 2 -6.107 16.429 -5.208 1.00 11.31 N ATOM 21 CA LYS A 2 -7.307 16.485 -6.072 1.00 34.31 C ATOM 22 C LYS A 2 -7.225 15.431 -7.206 1.00 71.43 C ATOM 23 O LYS A 2 -6.157 15.231 -7.798 1.00 0.22 O ATOM 24 CB LYS A 2 -7.443 17.920 -6.671 1.00 4.35 C ATOM 25 CG LYS A 2 -8.736 18.179 -7.484 1.00 70.42 C ATOM 26 CD LYS A 2 -10.017 18.121 -6.614 1.00 65.31 C ATOM 27 CE LYS A 2 -11.303 18.344 -7.431 1.00 62.43 C ATOM 28 NZ LYS A 2 -12.526 18.298 -6.583 1.00 24.55 N ATOM 0 H LYS A 2 -5.457 17.198 -5.369 1.00 11.31 H new ATOM 0 HA LYS A 2 -8.187 16.257 -5.470 1.00 34.31 H new ATOM 0 HB2 LYS A 2 -7.396 18.642 -5.856 1.00 4.35 H new ATOM 0 HB3 LYS A 2 -6.584 18.110 -7.315 1.00 4.35 H new ATOM 0 HG2 LYS A 2 -8.670 19.157 -7.960 1.00 70.42 H new ATOM 0 HG3 LYS A 2 -8.811 17.441 -8.282 1.00 70.42 H new ATOM 0 HD2 LYS A 2 -10.070 17.152 -6.118 1.00 65.31 H new ATOM 0 HD3 LYS A 2 -9.954 18.877 -5.831 1.00 65.31 H new ATOM 0 HE2 LYS A 2 -11.248 19.309 -7.934 1.00 62.43 H new ATOM 0 HE3 LYS A 2 -11.374 17.583 -8.208 1.00 62.43 H new ATOM 0 HZ1 LYS A 2 -13.366 18.453 -7.176 1.00 24.55 H new ATOM 0 HZ2 LYS A 2 -12.594 17.368 -6.123 1.00 24.55 H new ATOM 0 HZ3 LYS A 2 -12.473 19.041 -5.857 1.00 24.55 H new ATOM 42 N VAL A 3 -8.350 14.738 -7.480 1.00 70.30 N ATOM 43 CA VAL A 3 -8.452 13.804 -8.627 1.00 12.20 C ATOM 44 C VAL A 3 -8.388 14.580 -9.978 1.00 1.14 C ATOM 45 O VAL A 3 -9.162 15.515 -10.221 1.00 40.11 O ATOM 46 CB VAL A 3 -9.757 12.919 -8.548 1.00 64.40 C ATOM 47 CG1 VAL A 3 -9.882 11.964 -9.768 1.00 55.13 C ATOM 48 CG2 VAL A 3 -9.805 12.118 -7.217 1.00 51.35 C ATOM 0 H VAL A 3 -9.202 14.806 -6.924 1.00 70.30 H new ATOM 0 HA VAL A 3 -7.598 13.128 -8.576 1.00 12.20 H new ATOM 0 HB VAL A 3 -10.610 13.598 -8.574 1.00 64.40 H new ATOM 0 HG11 VAL A 3 -10.793 11.373 -9.675 1.00 55.13 H new ATOM 0 HG12 VAL A 3 -9.922 12.550 -10.686 1.00 55.13 H new ATOM 0 HG13 VAL A 3 -9.019 11.299 -9.799 1.00 55.13 H new ATOM 0 HG21 VAL A 3 -10.713 11.516 -7.187 1.00 51.35 H new ATOM 0 HG22 VAL A 3 -8.935 11.465 -7.154 1.00 51.35 H new ATOM 0 HG23 VAL A 3 -9.800 12.810 -6.375 1.00 51.35 H new ATOM 58 N GLY A 4 -7.453 14.153 -10.837 1.00 72.21 N ATOM 59 CA GLY A 4 -7.110 14.850 -12.086 1.00 45.32 C ATOM 60 C GLY A 4 -5.756 15.578 -12.018 1.00 4.11 C ATOM 61 O GLY A 4 -5.166 15.901 -13.059 1.00 45.00 O ATOM 0 H GLY A 4 -6.907 13.305 -10.684 1.00 72.21 H new ATOM 0 HA2 GLY A 4 -7.088 14.129 -12.903 1.00 45.32 H new ATOM 0 HA3 GLY A 4 -7.893 15.572 -12.319 1.00 45.32 H new ATOM 65 N SER A 5 -5.254 15.813 -10.787 1.00 1.20 N ATOM 66 CA SER A 5 -3.962 16.511 -10.542 1.00 11.12 C ATOM 67 C SER A 5 -2.795 15.505 -10.595 1.00 30.14 C ATOM 68 O SER A 5 -3.013 14.300 -10.467 1.00 74.12 O ATOM 69 CB SER A 5 -3.979 17.220 -9.165 1.00 75.21 C ATOM 70 OG SER A 5 -2.788 17.961 -8.936 1.00 21.45 O ATOM 0 H SER A 5 -5.729 15.526 -9.931 1.00 1.20 H new ATOM 0 HA SER A 5 -3.824 17.261 -11.321 1.00 11.12 H new ATOM 0 HB2 SER A 5 -4.838 17.888 -9.111 1.00 75.21 H new ATOM 0 HB3 SER A 5 -4.102 16.478 -8.376 1.00 75.21 H new ATOM 0 HG SER A 5 -2.836 18.395 -8.059 1.00 21.45 H new ATOM 76 N GLN A 6 -1.556 15.999 -10.783 1.00 25.11 N ATOM 77 CA GLN A 6 -0.349 15.138 -10.859 1.00 52.12 C ATOM 78 C GLN A 6 0.718 15.569 -9.822 1.00 30.23 C ATOM 79 O GLN A 6 0.824 16.751 -9.467 1.00 32.22 O ATOM 80 CB GLN A 6 0.214 15.138 -12.310 1.00 41.33 C ATOM 81 CG GLN A 6 0.756 16.492 -12.816 1.00 74.31 C ATOM 82 CD GLN A 6 1.140 16.498 -14.309 1.00 22.12 C ATOM 83 OE1 GLN A 6 1.071 17.525 -14.975 1.00 1.31 O ATOM 84 NE2 GLN A 6 1.549 15.360 -14.850 1.00 41.51 N ATOM 0 H GLN A 6 -1.359 16.995 -10.886 1.00 25.11 H new ATOM 0 HA GLN A 6 -0.632 14.116 -10.607 1.00 52.12 H new ATOM 0 HB2 GLN A 6 1.015 14.401 -12.370 1.00 41.33 H new ATOM 0 HB3 GLN A 6 -0.574 14.807 -12.986 1.00 41.33 H new ATOM 0 HG2 GLN A 6 0.003 17.260 -12.643 1.00 74.31 H new ATOM 0 HG3 GLN A 6 1.631 16.764 -12.226 1.00 74.31 H new ATOM 0 HE21 GLN A 6 1.601 14.515 -14.282 1.00 41.51 H new ATOM 0 HE22 GLN A 6 1.812 15.329 -15.835 1.00 41.51 H new ATOM 93 N VAL A 7 1.510 14.582 -9.346 1.00 51.40 N ATOM 94 CA VAL A 7 2.466 14.746 -8.218 1.00 0.11 C ATOM 95 C VAL A 7 3.818 14.032 -8.495 1.00 21.11 C ATOM 96 O VAL A 7 3.924 13.221 -9.404 1.00 2.01 O ATOM 97 CB VAL A 7 1.857 14.178 -6.866 1.00 21.32 C ATOM 98 CG1 VAL A 7 0.639 15.009 -6.385 1.00 75.51 C ATOM 99 CG2 VAL A 7 1.474 12.683 -7.011 1.00 3.23 C ATOM 0 H VAL A 7 1.506 13.639 -9.735 1.00 51.40 H new ATOM 0 HA VAL A 7 2.646 15.817 -8.120 1.00 0.11 H new ATOM 0 HB VAL A 7 2.634 14.263 -6.106 1.00 21.32 H new ATOM 0 HG11 VAL A 7 0.253 14.586 -5.457 1.00 75.51 H new ATOM 0 HG12 VAL A 7 0.947 16.040 -6.213 1.00 75.51 H new ATOM 0 HG13 VAL A 7 -0.141 14.986 -7.146 1.00 75.51 H new ATOM 0 HG21 VAL A 7 1.060 12.321 -6.070 1.00 3.23 H new ATOM 0 HG22 VAL A 7 0.731 12.573 -7.801 1.00 3.23 H new ATOM 0 HG23 VAL A 7 2.361 12.103 -7.264 1.00 3.23 H new ATOM 109 N ILE A 8 4.851 14.389 -7.712 1.00 25.22 N ATOM 110 CA ILE A 8 6.120 13.624 -7.595 1.00 2.01 C ATOM 111 C ILE A 8 6.070 12.749 -6.320 1.00 15.54 C ATOM 112 O ILE A 8 5.704 13.237 -5.243 1.00 52.41 O ATOM 113 CB ILE A 8 7.378 14.588 -7.534 1.00 53.23 C ATOM 114 CG1 ILE A 8 7.576 15.333 -8.894 1.00 23.43 C ATOM 115 CG2 ILE A 8 8.686 13.846 -7.113 1.00 52.41 C ATOM 116 CD1 ILE A 8 7.950 14.434 -10.068 1.00 3.54 C ATOM 0 H ILE A 8 4.835 15.228 -7.132 1.00 25.22 H new ATOM 0 HA ILE A 8 6.225 12.996 -8.479 1.00 2.01 H new ATOM 0 HB ILE A 8 7.170 15.325 -6.758 1.00 53.23 H new ATOM 0 HG12 ILE A 8 6.655 15.863 -9.139 1.00 23.43 H new ATOM 0 HG13 ILE A 8 8.354 16.086 -8.769 1.00 23.43 H new ATOM 0 HG21 ILE A 8 9.514 14.554 -7.088 1.00 52.41 H new ATOM 0 HG22 ILE A 8 8.553 13.408 -6.124 1.00 52.41 H new ATOM 0 HG23 ILE A 8 8.905 13.057 -7.833 1.00 52.41 H new ATOM 0 HD11 ILE A 8 8.066 15.039 -10.967 1.00 3.54 H new ATOM 0 HD12 ILE A 8 8.888 13.923 -9.851 1.00 3.54 H new ATOM 0 HD13 ILE A 8 7.163 13.696 -10.226 1.00 3.54 H new ATOM 128 N ILE A 9 6.430 11.460 -6.448 1.00 35.03 N ATOM 129 CA ILE A 9 6.444 10.524 -5.304 1.00 54.03 C ATOM 130 C ILE A 9 7.849 10.519 -4.647 1.00 53.14 C ATOM 131 O ILE A 9 8.845 10.319 -5.320 1.00 21.01 O ATOM 132 CB ILE A 9 6.002 9.074 -5.725 1.00 43.11 C ATOM 133 CG1 ILE A 9 4.652 9.132 -6.515 1.00 50.11 C ATOM 134 CG2 ILE A 9 5.875 8.153 -4.487 1.00 3.13 C ATOM 135 CD1 ILE A 9 4.018 7.783 -6.826 1.00 24.35 C ATOM 0 H ILE A 9 6.716 11.040 -7.332 1.00 35.03 H new ATOM 0 HA ILE A 9 5.715 10.870 -4.572 1.00 54.03 H new ATOM 0 HB ILE A 9 6.769 8.653 -6.375 1.00 43.11 H new ATOM 0 HG12 ILE A 9 3.940 9.725 -5.941 1.00 50.11 H new ATOM 0 HG13 ILE A 9 4.822 9.659 -7.454 1.00 50.11 H new ATOM 0 HG21 ILE A 9 5.568 7.156 -4.805 1.00 3.13 H new ATOM 0 HG22 ILE A 9 6.837 8.092 -3.979 1.00 3.13 H new ATOM 0 HG23 ILE A 9 5.130 8.562 -3.805 1.00 3.13 H new ATOM 0 HD11 ILE A 9 3.089 7.936 -7.375 1.00 24.35 H new ATOM 0 HD12 ILE A 9 4.703 7.190 -7.431 1.00 24.35 H new ATOM 0 HD13 ILE A 9 3.807 7.257 -5.895 1.00 24.35 H new ATOM 147 N ASN A 10 7.896 10.772 -3.334 1.00 14.22 N ATOM 148 CA ASN A 10 9.145 10.981 -2.559 1.00 43.22 C ATOM 149 C ASN A 10 9.601 9.675 -1.870 1.00 4.04 C ATOM 150 O ASN A 10 10.719 9.205 -2.085 1.00 61.31 O ATOM 151 CB ASN A 10 8.896 12.099 -1.516 1.00 61.43 C ATOM 152 CG ASN A 10 8.367 13.377 -2.166 1.00 11.43 C ATOM 153 OD1 ASN A 10 7.066 13.429 -2.402 1.00 1.41 O flip ATOM 154 ND2 ASN A 10 9.120 14.291 -2.482 1.00 32.31 N flip ATOM 0 H ASN A 10 7.055 10.840 -2.760 1.00 14.22 H new ATOM 0 HA ASN A 10 9.946 11.280 -3.235 1.00 43.22 H new ATOM 0 HB2 ASN A 10 8.182 11.748 -0.771 1.00 61.43 H new ATOM 0 HB3 ASN A 10 9.825 12.317 -0.989 1.00 61.43 H new ATOM 0 HD21 ASN A 10 10.118 14.220 -2.286 1.00 32.31 H new ATOM 0 HD22 ASN A 10 8.748 15.123 -2.941 1.00 32.31 H new ATOM 161 N THR A 11 8.727 9.122 -1.012 1.00 21.30 N ATOM 162 CA THR A 11 8.890 7.770 -0.434 1.00 50.25 C ATOM 163 C THR A 11 8.168 6.766 -1.338 1.00 43.11 C ATOM 164 O THR A 11 7.086 7.060 -1.839 1.00 45.41 O ATOM 165 CB THR A 11 8.299 7.691 1.025 1.00 73.53 C ATOM 166 OG1 THR A 11 9.108 8.475 1.915 1.00 4.22 O ATOM 167 CG2 THR A 11 8.187 6.242 1.566 1.00 23.43 C ATOM 0 H THR A 11 7.883 9.599 -0.696 1.00 21.30 H new ATOM 0 HA THR A 11 9.953 7.538 -0.373 1.00 50.25 H new ATOM 0 HB THR A 11 7.285 8.087 0.975 1.00 73.53 H new ATOM 0 HG1 THR A 11 8.738 8.426 2.821 1.00 4.22 H new ATOM 0 HG21 THR A 11 7.773 6.261 2.574 1.00 23.43 H new ATOM 0 HG22 THR A 11 7.533 5.661 0.916 1.00 23.43 H new ATOM 0 HG23 THR A 11 9.176 5.785 1.588 1.00 23.43 H new ATOM 175 N SER A 12 8.767 5.588 -1.533 1.00 41.42 N ATOM 176 CA SER A 12 8.172 4.515 -2.348 1.00 62.44 C ATOM 177 C SER A 12 8.566 3.130 -1.826 1.00 22.30 C ATOM 178 O SER A 12 9.732 2.876 -1.496 1.00 14.52 O ATOM 179 CB SER A 12 8.591 4.643 -3.825 1.00 62.41 C ATOM 180 OG SER A 12 8.072 5.818 -4.419 1.00 53.52 O ATOM 0 H SER A 12 9.674 5.348 -1.134 1.00 41.42 H new ATOM 0 HA SER A 12 7.090 4.622 -2.273 1.00 62.44 H new ATOM 0 HB2 SER A 12 9.679 4.650 -3.895 1.00 62.41 H new ATOM 0 HB3 SER A 12 8.242 3.771 -4.379 1.00 62.41 H new ATOM 0 HG SER A 12 8.477 6.604 -3.997 1.00 53.52 H new ATOM 186 N HIS A 13 7.569 2.248 -1.784 1.00 72.35 N ATOM 187 CA HIS A 13 7.729 0.831 -1.406 1.00 43.23 C ATOM 188 C HIS A 13 8.184 0.012 -2.647 1.00 0.31 C ATOM 189 O HIS A 13 8.783 -1.057 -2.522 1.00 21.03 O ATOM 190 CB HIS A 13 6.390 0.324 -0.804 1.00 32.44 C ATOM 191 CG HIS A 13 5.793 1.319 0.182 1.00 1.20 C ATOM 192 ND1 HIS A 13 6.241 1.422 1.478 1.00 3.34 N ATOM 193 CD2 HIS A 13 4.863 2.293 -0.030 1.00 52.13 C ATOM 194 CE1 HIS A 13 5.582 2.444 2.003 1.00 72.05 C ATOM 195 NE2 HIS A 13 4.737 2.988 1.133 1.00 52.32 N ATOM 0 H HIS A 13 6.607 2.495 -2.015 1.00 72.35 H new ATOM 0 HA HIS A 13 8.501 0.709 -0.647 1.00 43.23 H new ATOM 0 HB2 HIS A 13 5.678 0.140 -1.608 1.00 32.44 H new ATOM 0 HB3 HIS A 13 6.557 -0.629 -0.301 1.00 32.44 H new ATOM 0 HD1 HIS A 13 6.936 0.834 1.939 1.00 3.34 H new ATOM 0 HD2 HIS A 13 4.327 2.478 -0.949 1.00 52.13 H new ATOM 0 HE1 HIS A 13 5.715 2.793 3.016 1.00 72.05 H new ATOM 203 N MET A 14 7.889 0.562 -3.850 1.00 32.41 N ATOM 204 CA MET A 14 8.450 0.102 -5.145 1.00 63.43 C ATOM 205 C MET A 14 9.651 1.015 -5.527 1.00 60.44 C ATOM 206 O MET A 14 9.478 2.230 -5.645 1.00 11.11 O ATOM 207 CB MET A 14 7.362 0.172 -6.259 1.00 70.14 C ATOM 208 CG MET A 14 6.057 -0.565 -5.931 1.00 1.24 C ATOM 209 SD MET A 14 6.309 -2.318 -5.578 1.00 40.44 S ATOM 210 CE MET A 14 4.621 -2.883 -5.341 1.00 44.24 C ATOM 0 H MET A 14 7.246 1.348 -3.950 1.00 32.41 H new ATOM 0 HA MET A 14 8.784 -0.931 -5.049 1.00 63.43 H new ATOM 0 HB2 MET A 14 7.132 1.219 -6.457 1.00 70.14 H new ATOM 0 HB3 MET A 14 7.776 -0.243 -7.178 1.00 70.14 H new ATOM 0 HG2 MET A 14 5.584 -0.091 -5.071 1.00 1.24 H new ATOM 0 HG3 MET A 14 5.368 -0.464 -6.770 1.00 1.24 H new ATOM 0 HE1 MET A 14 4.623 -3.949 -5.116 1.00 44.24 H new ATOM 0 HE2 MET A 14 4.168 -2.338 -4.513 1.00 44.24 H new ATOM 0 HE3 MET A 14 4.047 -2.705 -6.250 1.00 44.24 H new ATOM 220 N LYS A 15 10.859 0.437 -5.722 1.00 32.13 N ATOM 221 CA LYS A 15 12.101 1.232 -5.984 1.00 40.30 C ATOM 222 C LYS A 15 12.040 2.072 -7.294 1.00 75.43 C ATOM 223 O LYS A 15 12.624 3.161 -7.370 1.00 52.32 O ATOM 224 CB LYS A 15 13.353 0.314 -6.006 1.00 22.22 C ATOM 225 CG LYS A 15 13.322 -0.818 -7.061 1.00 21.32 C ATOM 226 CD LYS A 15 14.678 -1.563 -7.222 1.00 75.23 C ATOM 227 CE LYS A 15 15.179 -2.276 -5.939 1.00 25.21 C ATOM 228 NZ LYS A 15 15.773 -1.348 -4.932 1.00 2.50 N ATOM 0 H LYS A 15 11.009 -0.572 -5.705 1.00 32.13 H new ATOM 0 HA LYS A 15 12.176 1.939 -5.158 1.00 40.30 H new ATOM 0 HB2 LYS A 15 14.233 0.931 -6.185 1.00 22.22 H new ATOM 0 HB3 LYS A 15 13.473 -0.134 -5.019 1.00 22.22 H new ATOM 0 HG2 LYS A 15 12.553 -1.539 -6.784 1.00 21.32 H new ATOM 0 HG3 LYS A 15 13.033 -0.397 -8.024 1.00 21.32 H new ATOM 0 HD2 LYS A 15 14.580 -2.302 -8.017 1.00 75.23 H new ATOM 0 HD3 LYS A 15 15.435 -0.847 -7.543 1.00 75.23 H new ATOM 0 HE2 LYS A 15 14.346 -2.810 -5.482 1.00 25.21 H new ATOM 0 HE3 LYS A 15 15.923 -3.023 -6.216 1.00 25.21 H new ATOM 0 HZ1 LYS A 15 16.667 -1.745 -4.579 1.00 2.50 H new ATOM 0 HZ2 LYS A 15 15.955 -0.425 -5.375 1.00 2.50 H new ATOM 0 HZ3 LYS A 15 15.111 -1.227 -4.139 1.00 2.50 H new ATOM 242 N GLY A 16 11.319 1.554 -8.308 1.00 24.20 N ATOM 243 CA GLY A 16 11.145 2.249 -9.598 1.00 51.31 C ATOM 244 C GLY A 16 10.147 3.412 -9.551 1.00 30.22 C ATOM 245 O GLY A 16 9.991 4.138 -10.528 1.00 14.13 O ATOM 0 H GLY A 16 10.846 0.652 -8.257 1.00 24.20 H new ATOM 0 HA2 GLY A 16 12.112 2.627 -9.928 1.00 51.31 H new ATOM 0 HA3 GLY A 16 10.812 1.528 -10.345 1.00 51.31 H new ATOM 249 N MET A 17 9.494 3.606 -8.401 1.00 2.25 N ATOM 250 CA MET A 17 8.442 4.627 -8.224 1.00 30.23 C ATOM 251 C MET A 17 9.009 5.872 -7.499 1.00 72.12 C ATOM 252 O MET A 17 8.456 6.977 -7.606 1.00 12.14 O ATOM 253 CB MET A 17 7.260 3.999 -7.440 1.00 1.11 C ATOM 254 CG MET A 17 6.025 4.893 -7.323 1.00 14.52 C ATOM 255 SD MET A 17 4.606 4.059 -6.576 1.00 61.43 S ATOM 256 CE MET A 17 5.204 3.688 -4.931 1.00 41.44 C ATOM 0 H MET A 17 9.677 3.060 -7.559 1.00 2.25 H new ATOM 0 HA MET A 17 8.081 4.960 -9.197 1.00 30.23 H new ATOM 0 HB2 MET A 17 6.973 3.067 -7.927 1.00 1.11 H new ATOM 0 HB3 MET A 17 7.602 3.742 -6.438 1.00 1.11 H new ATOM 0 HG2 MET A 17 6.276 5.771 -6.728 1.00 14.52 H new ATOM 0 HG3 MET A 17 5.747 5.249 -8.315 1.00 14.52 H new ATOM 0 HE1 MET A 17 4.377 3.338 -4.314 1.00 41.44 H new ATOM 0 HE2 MET A 17 5.968 2.913 -4.988 1.00 41.44 H new ATOM 0 HE3 MET A 17 5.632 4.587 -4.488 1.00 41.44 H new ATOM 266 N LYS A 18 10.120 5.676 -6.764 1.00 20.53 N ATOM 267 CA LYS A 18 10.765 6.744 -5.975 1.00 51.13 C ATOM 268 C LYS A 18 11.395 7.830 -6.881 1.00 3.11 C ATOM 269 O LYS A 18 12.271 7.547 -7.705 1.00 42.44 O ATOM 270 CB LYS A 18 11.811 6.126 -5.013 1.00 52.22 C ATOM 271 CG LYS A 18 12.307 7.095 -3.920 1.00 41.24 C ATOM 272 CD LYS A 18 13.209 6.417 -2.862 1.00 33.10 C ATOM 273 CE LYS A 18 13.638 7.394 -1.745 1.00 10.23 C ATOM 274 NZ LYS A 18 14.357 8.583 -2.283 1.00 74.23 N ATOM 0 H LYS A 18 10.595 4.776 -6.700 1.00 20.53 H new ATOM 0 HA LYS A 18 9.999 7.244 -5.382 1.00 51.13 H new ATOM 0 HB2 LYS A 18 11.376 5.248 -4.536 1.00 52.22 H new ATOM 0 HB3 LYS A 18 12.666 5.782 -5.595 1.00 52.22 H new ATOM 0 HG2 LYS A 18 12.859 7.909 -4.390 1.00 41.24 H new ATOM 0 HG3 LYS A 18 11.446 7.540 -3.421 1.00 41.24 H new ATOM 0 HD2 LYS A 18 12.677 5.575 -2.420 1.00 33.10 H new ATOM 0 HD3 LYS A 18 14.097 6.013 -3.349 1.00 33.10 H new ATOM 0 HE2 LYS A 18 12.757 7.723 -1.194 1.00 10.23 H new ATOM 0 HE3 LYS A 18 14.281 6.873 -1.036 1.00 10.23 H new ATOM 0 HZ1 LYS A 18 14.743 9.141 -1.495 1.00 74.23 H new ATOM 0 HZ2 LYS A 18 15.134 8.269 -2.899 1.00 74.23 H new ATOM 0 HZ3 LYS A 18 13.696 9.170 -2.831 1.00 74.23 H new ATOM 288 N GLY A 19 10.913 9.065 -6.709 1.00 63.52 N ATOM 289 CA GLY A 19 11.336 10.226 -7.503 1.00 23.12 C ATOM 290 C GLY A 19 10.559 10.400 -8.820 1.00 71.41 C ATOM 291 O GLY A 19 10.732 11.409 -9.510 1.00 71.22 O ATOM 0 H GLY A 19 10.209 9.291 -6.006 1.00 63.52 H new ATOM 0 HA2 GLY A 19 11.218 11.127 -6.901 1.00 23.12 H new ATOM 0 HA3 GLY A 19 12.398 10.131 -7.729 1.00 23.12 H new ATOM 295 N ALA A 20 9.689 9.424 -9.152 1.00 1.42 N ATOM 296 CA ALA A 20 8.996 9.351 -10.464 1.00 25.41 C ATOM 297 C ALA A 20 7.756 10.277 -10.554 1.00 24.12 C ATOM 298 O ALA A 20 7.184 10.692 -9.534 1.00 71.40 O ATOM 299 CB ALA A 20 8.593 7.896 -10.762 1.00 50.32 C ATOM 0 H ALA A 20 9.444 8.661 -8.520 1.00 1.42 H new ATOM 0 HA ALA A 20 9.703 9.706 -11.214 1.00 25.41 H new ATOM 0 HB1 ALA A 20 8.085 7.849 -11.725 1.00 50.32 H new ATOM 0 HB2 ALA A 20 9.485 7.270 -10.791 1.00 50.32 H new ATOM 0 HB3 ALA A 20 7.923 7.537 -9.981 1.00 50.32 H new ATOM 305 N GLU A 21 7.352 10.572 -11.807 1.00 32.13 N ATOM 306 CA GLU A 21 6.175 11.413 -12.120 1.00 63.40 C ATOM 307 C GLU A 21 4.885 10.574 -12.062 1.00 25.30 C ATOM 308 O GLU A 21 4.704 9.654 -12.862 1.00 60.41 O ATOM 309 CB GLU A 21 6.296 12.071 -13.529 1.00 64.21 C ATOM 310 CG GLU A 21 7.461 13.065 -13.704 1.00 0.22 C ATOM 311 CD GLU A 21 8.859 12.427 -13.706 1.00 73.13 C ATOM 312 OE1 GLU A 21 9.206 11.749 -14.696 1.00 34.55 O ATOM 313 OE2 GLU A 21 9.616 12.603 -12.730 1.00 0.33 O ATOM 0 H GLU A 21 7.836 10.231 -12.637 1.00 32.13 H new ATOM 0 HA GLU A 21 6.135 12.204 -11.371 1.00 63.40 H new ATOM 0 HB2 GLU A 21 6.403 11.280 -14.271 1.00 64.21 H new ATOM 0 HB3 GLU A 21 5.363 12.590 -13.749 1.00 64.21 H new ATOM 0 HG2 GLU A 21 7.322 13.604 -14.641 1.00 0.22 H new ATOM 0 HG3 GLU A 21 7.415 13.802 -12.902 1.00 0.22 H new ATOM 320 N ALA A 22 3.999 10.909 -11.118 1.00 22.20 N ATOM 321 CA ALA A 22 2.704 10.219 -10.914 1.00 14.13 C ATOM 322 C ALA A 22 1.502 11.128 -11.237 1.00 24.41 C ATOM 323 O ALA A 22 1.641 12.347 -11.341 1.00 55.42 O ATOM 324 CB ALA A 22 2.604 9.727 -9.473 1.00 12.34 C ATOM 0 H ALA A 22 4.155 11.675 -10.462 1.00 22.20 H new ATOM 0 HA ALA A 22 2.671 9.374 -11.602 1.00 14.13 H new ATOM 0 HB1 ALA A 22 1.650 9.220 -9.327 1.00 12.34 H new ATOM 0 HB2 ALA A 22 3.419 9.033 -9.268 1.00 12.34 H new ATOM 0 HB3 ALA A 22 2.671 10.576 -8.793 1.00 12.34 H new ATOM 330 N THR A 23 0.316 10.509 -11.403 1.00 51.15 N ATOM 331 CA THR A 23 -0.961 11.237 -11.606 1.00 3.51 C ATOM 332 C THR A 23 -2.077 10.660 -10.704 1.00 73.12 C ATOM 333 O THR A 23 -2.377 9.477 -10.771 1.00 60.52 O ATOM 334 CB THR A 23 -1.417 11.180 -13.107 1.00 24.45 C ATOM 335 OG1 THR A 23 -0.378 11.702 -13.954 1.00 60.31 O ATOM 336 CG2 THR A 23 -2.722 11.970 -13.345 1.00 31.50 C ATOM 0 H THR A 23 0.212 9.494 -11.401 1.00 51.15 H new ATOM 0 HA THR A 23 -0.786 12.278 -11.333 1.00 3.51 H new ATOM 0 HB THR A 23 -1.609 10.135 -13.352 1.00 24.45 H new ATOM 0 HG1 THR A 23 -0.668 11.662 -14.889 1.00 60.31 H new ATOM 0 HG21 THR A 23 -3.001 11.904 -14.397 1.00 31.50 H new ATOM 0 HG22 THR A 23 -3.519 11.550 -12.731 1.00 31.50 H new ATOM 0 HG23 THR A 23 -2.569 13.015 -13.075 1.00 31.50 H new ATOM 344 N VAL A 24 -2.713 11.528 -9.903 1.00 74.34 N ATOM 345 CA VAL A 24 -3.791 11.140 -8.963 1.00 2.51 C ATOM 346 C VAL A 24 -5.127 10.937 -9.727 1.00 14.24 C ATOM 347 O VAL A 24 -5.754 11.903 -10.154 1.00 52.02 O ATOM 348 CB VAL A 24 -3.989 12.227 -7.837 1.00 2.54 C ATOM 349 CG1 VAL A 24 -5.097 11.817 -6.828 1.00 55.13 C ATOM 350 CG2 VAL A 24 -2.652 12.533 -7.116 1.00 30.33 C ATOM 0 H VAL A 24 -2.498 12.525 -9.884 1.00 74.34 H new ATOM 0 HA VAL A 24 -3.495 10.203 -8.491 1.00 2.51 H new ATOM 0 HB VAL A 24 -4.323 13.144 -8.323 1.00 2.54 H new ATOM 0 HG11 VAL A 24 -5.202 12.592 -6.069 1.00 55.13 H new ATOM 0 HG12 VAL A 24 -6.043 11.695 -7.356 1.00 55.13 H new ATOM 0 HG13 VAL A 24 -4.824 10.876 -6.351 1.00 55.13 H new ATOM 0 HG21 VAL A 24 -2.818 13.285 -6.345 1.00 30.33 H new ATOM 0 HG22 VAL A 24 -2.269 11.621 -6.657 1.00 30.33 H new ATOM 0 HG23 VAL A 24 -1.927 12.908 -7.838 1.00 30.33 H new ATOM 360 N THR A 25 -5.533 9.674 -9.933 1.00 61.44 N ATOM 361 CA THR A 25 -6.842 9.334 -10.562 1.00 15.34 C ATOM 362 C THR A 25 -7.823 8.677 -9.565 1.00 12.24 C ATOM 363 O THR A 25 -8.928 8.284 -9.957 1.00 64.43 O ATOM 364 CB THR A 25 -6.657 8.401 -11.807 1.00 14.15 C ATOM 365 OG1 THR A 25 -5.835 7.264 -11.464 1.00 70.35 O ATOM 366 CG2 THR A 25 -6.048 9.160 -12.998 1.00 72.20 C ATOM 0 H THR A 25 -4.977 8.859 -9.675 1.00 61.44 H new ATOM 0 HA THR A 25 -7.273 10.281 -10.887 1.00 15.34 H new ATOM 0 HB THR A 25 -7.644 8.049 -12.107 1.00 14.15 H new ATOM 0 HG1 THR A 25 -4.976 7.329 -11.931 1.00 70.35 H new ATOM 0 HG21 THR A 25 -5.935 8.481 -13.843 1.00 72.20 H new ATOM 0 HG22 THR A 25 -6.705 9.983 -13.280 1.00 72.20 H new ATOM 0 HG23 THR A 25 -5.072 9.555 -12.717 1.00 72.20 H new ATOM 374 N GLY A 26 -7.428 8.565 -8.281 1.00 11.13 N ATOM 375 CA GLY A 26 -8.307 8.009 -7.237 1.00 45.13 C ATOM 376 C GLY A 26 -7.938 8.491 -5.832 1.00 74.10 C ATOM 377 O GLY A 26 -6.756 8.702 -5.542 1.00 5.51 O ATOM 0 H GLY A 26 -6.509 8.852 -7.944 1.00 11.13 H new ATOM 0 HA2 GLY A 26 -9.339 8.286 -7.452 1.00 45.13 H new ATOM 0 HA3 GLY A 26 -8.256 6.921 -7.268 1.00 45.13 H new ATOM 381 N ALA A 27 -8.953 8.657 -4.962 1.00 10.22 N ATOM 382 CA ALA A 27 -8.767 9.092 -3.556 1.00 32.44 C ATOM 383 C ALA A 27 -9.692 8.287 -2.605 1.00 10.31 C ATOM 384 O ALA A 27 -10.913 8.455 -2.622 1.00 2.00 O ATOM 385 CB ALA A 27 -9.031 10.611 -3.436 1.00 11.15 C ATOM 0 H ALA A 27 -9.929 8.494 -5.211 1.00 10.22 H new ATOM 0 HA ALA A 27 -7.737 8.895 -3.259 1.00 32.44 H new ATOM 0 HB1 ALA A 27 -8.893 10.924 -2.401 1.00 11.15 H new ATOM 0 HB2 ALA A 27 -8.334 11.153 -4.075 1.00 11.15 H new ATOM 0 HB3 ALA A 27 -10.053 10.828 -3.747 1.00 11.15 H new ATOM 391 N TYR A 28 -9.092 7.384 -1.809 1.00 14.34 N ATOM 392 CA TYR A 28 -9.808 6.536 -0.819 1.00 62.41 C ATOM 393 C TYR A 28 -9.417 6.941 0.618 1.00 54.24 C ATOM 394 O TYR A 28 -8.260 6.810 1.005 1.00 53.42 O ATOM 395 CB TYR A 28 -9.468 5.033 -1.057 1.00 53.40 C ATOM 396 CG TYR A 28 -10.136 4.405 -2.295 1.00 45.41 C ATOM 397 CD1 TYR A 28 -9.790 4.801 -3.594 1.00 33.25 C ATOM 398 CD2 TYR A 28 -11.102 3.398 -2.163 1.00 43.34 C ATOM 399 CE1 TYR A 28 -10.390 4.226 -4.705 1.00 24.54 C ATOM 400 CE2 TYR A 28 -11.701 2.825 -3.271 1.00 71.21 C ATOM 401 CZ TYR A 28 -11.340 3.237 -4.537 1.00 12.41 C ATOM 402 OH TYR A 28 -11.936 2.658 -5.643 1.00 22.22 O ATOM 0 H TYR A 28 -8.086 7.215 -1.830 1.00 14.34 H new ATOM 0 HA TYR A 28 -10.880 6.684 -0.946 1.00 62.41 H new ATOM 0 HB2 TYR A 28 -8.387 4.931 -1.154 1.00 53.40 H new ATOM 0 HB3 TYR A 28 -9.764 4.465 -0.175 1.00 53.40 H new ATOM 0 HD1 TYR A 28 -9.042 5.568 -3.733 1.00 33.25 H new ATOM 0 HD2 TYR A 28 -11.385 3.062 -1.176 1.00 43.34 H new ATOM 0 HE1 TYR A 28 -10.115 4.550 -5.698 1.00 24.54 H new ATOM 0 HE2 TYR A 28 -12.450 2.057 -3.145 1.00 71.21 H new ATOM 0 HH TYR A 28 -12.580 1.980 -5.350 1.00 22.22 H new ATOM 412 N ASP A 29 -10.384 7.422 1.412 1.00 23.12 N ATOM 413 CA ASP A 29 -10.141 7.827 2.815 1.00 23.04 C ATOM 414 C ASP A 29 -10.590 6.688 3.776 1.00 64.14 C ATOM 415 O ASP A 29 -11.747 6.601 4.193 1.00 3.23 O ATOM 416 CB ASP A 29 -10.819 9.201 3.118 1.00 5.04 C ATOM 417 CG ASP A 29 -12.355 9.203 2.975 1.00 51.14 C ATOM 418 OD1 ASP A 29 -12.859 8.934 1.866 1.00 10.02 O ATOM 419 OD2 ASP A 29 -13.063 9.456 3.980 1.00 52.20 O ATOM 0 H ASP A 29 -11.350 7.543 1.109 1.00 23.12 H new ATOM 0 HA ASP A 29 -9.074 7.978 2.979 1.00 23.04 H new ATOM 0 HB2 ASP A 29 -10.561 9.503 4.133 1.00 5.04 H new ATOM 0 HB3 ASP A 29 -10.403 9.953 2.447 1.00 5.04 H new ATOM 424 N THR A 30 -9.659 5.763 4.061 1.00 41.32 N ATOM 425 CA THR A 30 -9.925 4.550 4.887 1.00 14.02 C ATOM 426 C THR A 30 -8.806 4.334 5.933 1.00 72.31 C ATOM 427 O THR A 30 -7.861 5.127 6.022 1.00 71.14 O ATOM 428 CB THR A 30 -10.068 3.281 3.960 1.00 33.24 C ATOM 429 OG1 THR A 30 -10.361 2.098 4.738 1.00 70.42 O ATOM 430 CG2 THR A 30 -8.802 3.038 3.116 1.00 32.40 C ATOM 0 H THR A 30 -8.696 5.825 3.730 1.00 41.32 H new ATOM 0 HA THR A 30 -10.862 4.701 5.424 1.00 14.02 H new ATOM 0 HB THR A 30 -10.899 3.482 3.284 1.00 33.24 H new ATOM 0 HG1 THR A 30 -10.446 1.326 4.140 1.00 70.42 H new ATOM 0 HG21 THR A 30 -8.944 2.155 2.493 1.00 32.40 H new ATOM 0 HG22 THR A 30 -8.616 3.904 2.481 1.00 32.40 H new ATOM 0 HG23 THR A 30 -7.949 2.883 3.776 1.00 32.40 H new ATOM 438 N THR A 31 -8.923 3.274 6.750 1.00 3.14 N ATOM 439 CA THR A 31 -7.842 2.859 7.671 1.00 71.02 C ATOM 440 C THR A 31 -6.817 1.992 6.908 1.00 30.44 C ATOM 441 O THR A 31 -7.180 0.965 6.334 1.00 33.44 O ATOM 442 CB THR A 31 -8.380 2.048 8.906 1.00 72.42 C ATOM 443 OG1 THR A 31 -9.552 2.681 9.447 1.00 40.13 O ATOM 444 CG2 THR A 31 -7.309 1.942 10.014 1.00 2.01 C ATOM 0 H THR A 31 -9.755 2.686 6.794 1.00 3.14 H new ATOM 0 HA THR A 31 -7.375 3.769 8.049 1.00 71.02 H new ATOM 0 HB THR A 31 -8.629 1.046 8.558 1.00 72.42 H new ATOM 0 HG1 THR A 31 -9.878 2.165 10.214 1.00 40.13 H new ATOM 0 HG21 THR A 31 -7.710 1.376 10.855 1.00 2.01 H new ATOM 0 HG22 THR A 31 -6.428 1.434 9.621 1.00 2.01 H new ATOM 0 HG23 THR A 31 -7.032 2.942 10.349 1.00 2.01 H new ATOM 452 N ALA A 32 -5.541 2.405 6.910 1.00 50.52 N ATOM 453 CA ALA A 32 -4.448 1.645 6.277 1.00 11.22 C ATOM 454 C ALA A 32 -3.573 0.996 7.366 1.00 30.53 C ATOM 455 O ALA A 32 -3.524 1.469 8.506 1.00 70.15 O ATOM 456 CB ALA A 32 -3.615 2.546 5.359 1.00 23.44 C ATOM 0 H ALA A 32 -5.236 3.274 7.349 1.00 50.52 H new ATOM 0 HA ALA A 32 -4.875 0.857 5.657 1.00 11.22 H new ATOM 0 HB1 ALA A 32 -2.815 1.962 4.904 1.00 23.44 H new ATOM 0 HB2 ALA A 32 -4.253 2.958 4.577 1.00 23.44 H new ATOM 0 HB3 ALA A 32 -3.184 3.360 5.942 1.00 23.44 H new ATOM 462 N TYR A 33 -2.886 -0.096 7.022 1.00 25.23 N ATOM 463 CA TYR A 33 -2.127 -0.907 7.995 1.00 42.54 C ATOM 464 C TYR A 33 -0.709 -1.224 7.487 1.00 1.41 C ATOM 465 O TYR A 33 -0.459 -1.348 6.280 1.00 30.41 O ATOM 466 CB TYR A 33 -2.888 -2.227 8.318 1.00 23.12 C ATOM 467 CG TYR A 33 -4.272 -2.013 8.958 1.00 72.51 C ATOM 468 CD1 TYR A 33 -4.388 -1.660 10.302 1.00 35.03 C ATOM 469 CD2 TYR A 33 -5.453 -2.141 8.216 1.00 72.33 C ATOM 470 CE1 TYR A 33 -5.622 -1.449 10.882 1.00 71.31 C ATOM 471 CE2 TYR A 33 -6.689 -1.936 8.799 1.00 41.14 C ATOM 472 CZ TYR A 33 -6.768 -1.589 10.131 1.00 3.12 C ATOM 473 OH TYR A 33 -7.998 -1.379 10.719 1.00 14.24 O ATOM 0 H TYR A 33 -2.836 -0.448 6.066 1.00 25.23 H new ATOM 0 HA TYR A 33 -2.032 -0.318 8.907 1.00 42.54 H new ATOM 0 HB2 TYR A 33 -3.009 -2.799 7.398 1.00 23.12 H new ATOM 0 HB3 TYR A 33 -2.278 -2.831 8.990 1.00 23.12 H new ATOM 0 HD1 TYR A 33 -3.495 -1.550 10.900 1.00 35.03 H new ATOM 0 HD2 TYR A 33 -5.397 -2.404 7.170 1.00 72.33 H new ATOM 0 HE1 TYR A 33 -5.689 -1.174 11.924 1.00 71.31 H new ATOM 0 HE2 TYR A 33 -7.590 -2.047 8.213 1.00 41.14 H new ATOM 0 HH TYR A 33 -8.706 -1.516 10.055 1.00 14.24 H new ATOM 483 N VAL A 34 0.210 -1.323 8.446 1.00 15.14 N ATOM 484 CA VAL A 34 1.567 -1.838 8.238 1.00 32.41 C ATOM 485 C VAL A 34 1.567 -3.306 8.711 1.00 45.13 C ATOM 486 O VAL A 34 1.431 -3.561 9.910 1.00 65.01 O ATOM 487 CB VAL A 34 2.617 -1.001 9.067 1.00 75.20 C ATOM 488 CG1 VAL A 34 4.065 -1.450 8.763 1.00 55.23 C ATOM 489 CG2 VAL A 34 2.433 0.520 8.828 1.00 51.01 C ATOM 0 H VAL A 34 0.031 -1.042 9.410 1.00 15.14 H new ATOM 0 HA VAL A 34 1.848 -1.762 7.187 1.00 32.41 H new ATOM 0 HB VAL A 34 2.433 -1.194 10.124 1.00 75.20 H new ATOM 0 HG11 VAL A 34 4.762 -0.853 9.351 1.00 55.23 H new ATOM 0 HG12 VAL A 34 4.181 -2.503 9.021 1.00 55.23 H new ATOM 0 HG13 VAL A 34 4.274 -1.312 7.702 1.00 55.23 H new ATOM 0 HG21 VAL A 34 3.170 1.072 9.412 1.00 51.01 H new ATOM 0 HG22 VAL A 34 2.569 0.741 7.769 1.00 51.01 H new ATOM 0 HG23 VAL A 34 1.430 0.818 9.135 1.00 51.01 H new ATOM 499 N VAL A 35 1.650 -4.273 7.776 1.00 14.21 N ATOM 500 CA VAL A 35 1.620 -5.721 8.125 1.00 31.43 C ATOM 501 C VAL A 35 3.004 -6.377 7.975 1.00 73.14 C ATOM 502 O VAL A 35 3.849 -5.916 7.218 1.00 23.34 O ATOM 503 CB VAL A 35 0.553 -6.520 7.279 1.00 61.50 C ATOM 504 CG1 VAL A 35 -0.884 -6.091 7.663 1.00 23.32 C ATOM 505 CG2 VAL A 35 0.798 -6.367 5.751 1.00 33.32 C ATOM 0 H VAL A 35 1.738 -4.087 6.777 1.00 14.21 H new ATOM 0 HA VAL A 35 1.326 -5.769 9.173 1.00 31.43 H new ATOM 0 HB VAL A 35 0.667 -7.578 7.517 1.00 61.50 H new ATOM 0 HG11 VAL A 35 -1.603 -6.654 7.068 1.00 23.32 H new ATOM 0 HG12 VAL A 35 -1.053 -6.291 8.721 1.00 23.32 H new ATOM 0 HG13 VAL A 35 -1.009 -5.025 7.471 1.00 23.32 H new ATOM 0 HG21 VAL A 35 0.043 -6.931 5.203 1.00 33.32 H new ATOM 0 HG22 VAL A 35 0.735 -5.314 5.476 1.00 33.32 H new ATOM 0 HG23 VAL A 35 1.788 -6.748 5.501 1.00 33.32 H new ATOM 515 N SER A 36 3.205 -7.470 8.714 1.00 35.14 N ATOM 516 CA SER A 36 4.447 -8.268 8.683 1.00 62.24 C ATOM 517 C SER A 36 4.080 -9.758 8.603 1.00 11.45 C ATOM 518 O SER A 36 3.413 -10.281 9.495 1.00 14.10 O ATOM 519 CB SER A 36 5.296 -7.980 9.950 1.00 42.34 C ATOM 520 OG SER A 36 5.715 -6.619 10.004 1.00 51.24 O ATOM 0 H SER A 36 2.506 -7.836 9.360 1.00 35.14 H new ATOM 0 HA SER A 36 5.040 -7.997 7.809 1.00 62.24 H new ATOM 0 HB2 SER A 36 4.714 -8.217 10.840 1.00 42.34 H new ATOM 0 HB3 SER A 36 6.170 -8.631 9.958 1.00 42.34 H new ATOM 0 HG SER A 36 6.246 -6.472 10.815 1.00 51.24 H new ATOM 526 N TYR A 37 4.569 -10.454 7.574 1.00 2.13 N ATOM 527 CA TYR A 37 4.093 -11.810 7.226 1.00 20.11 C ATOM 528 C TYR A 37 5.188 -12.603 6.506 1.00 2.43 C ATOM 529 O TYR A 37 6.108 -12.033 5.914 1.00 3.04 O ATOM 530 CB TYR A 37 2.812 -11.745 6.331 1.00 5.31 C ATOM 531 CG TYR A 37 3.033 -11.155 4.920 1.00 51.21 C ATOM 532 CD1 TYR A 37 3.033 -9.776 4.705 1.00 15.01 C ATOM 533 CD2 TYR A 37 3.262 -11.985 3.810 1.00 61.21 C ATOM 534 CE1 TYR A 37 3.245 -9.250 3.446 1.00 43.20 C ATOM 535 CE2 TYR A 37 3.481 -11.457 2.550 1.00 3.31 C ATOM 536 CZ TYR A 37 3.473 -10.088 2.376 1.00 20.12 C ATOM 537 OH TYR A 37 3.696 -9.550 1.125 1.00 62.11 O ATOM 0 H TYR A 37 5.302 -10.103 6.957 1.00 2.13 H new ATOM 0 HA TYR A 37 3.842 -12.319 8.157 1.00 20.11 H new ATOM 0 HB2 TYR A 37 2.407 -12.752 6.229 1.00 5.31 H new ATOM 0 HB3 TYR A 37 2.058 -11.148 6.844 1.00 5.31 H new ATOM 0 HD1 TYR A 37 2.864 -9.109 5.537 1.00 15.01 H new ATOM 0 HD2 TYR A 37 3.267 -13.057 3.943 1.00 61.21 H new ATOM 0 HE1 TYR A 37 3.232 -8.180 3.300 1.00 43.20 H new ATOM 0 HE2 TYR A 37 3.657 -12.111 1.709 1.00 3.31 H new ATOM 0 HH TYR A 37 4.255 -10.161 0.601 1.00 62.11 H new ATOM 547 N THR A 38 5.050 -13.924 6.528 1.00 40.10 N ATOM 548 CA THR A 38 5.916 -14.822 5.752 1.00 3.40 C ATOM 549 C THR A 38 5.131 -15.265 4.503 1.00 61.55 C ATOM 550 O THR A 38 4.004 -15.756 4.653 1.00 74.22 O ATOM 551 CB THR A 38 6.354 -16.079 6.574 1.00 42.35 C ATOM 552 OG1 THR A 38 6.945 -15.662 7.822 1.00 11.11 O ATOM 553 CG2 THR A 38 7.370 -16.953 5.805 1.00 51.01 C ATOM 0 H THR A 38 4.340 -14.407 7.079 1.00 40.10 H new ATOM 0 HA THR A 38 6.827 -14.288 5.482 1.00 3.40 H new ATOM 0 HB THR A 38 5.460 -16.677 6.753 1.00 42.35 H new ATOM 0 HG1 THR A 38 7.217 -16.451 8.335 1.00 11.11 H new ATOM 0 HG21 THR A 38 7.645 -17.814 6.415 1.00 51.01 H new ATOM 0 HG22 THR A 38 6.922 -17.297 4.873 1.00 51.01 H new ATOM 0 HG23 THR A 38 8.261 -16.366 5.584 1.00 51.01 H new ATOM 561 N PRO A 39 5.663 -15.063 3.252 1.00 54.22 N ATOM 562 CA PRO A 39 5.006 -15.582 2.022 1.00 3.52 C ATOM 563 C PRO A 39 4.839 -17.129 2.061 1.00 30.43 C ATOM 564 O PRO A 39 5.679 -17.834 2.632 1.00 74.33 O ATOM 565 CB PRO A 39 5.963 -15.129 0.874 1.00 11.44 C ATOM 566 CG PRO A 39 7.270 -14.834 1.555 1.00 62.52 C ATOM 567 CD PRO A 39 6.907 -14.308 2.927 1.00 40.54 C ATOM 0 HA PRO A 39 3.992 -15.202 1.897 1.00 3.52 H new ATOM 0 HB2 PRO A 39 6.076 -15.910 0.123 1.00 11.44 H new ATOM 0 HB3 PRO A 39 5.576 -14.248 0.362 1.00 11.44 H new ATOM 0 HG2 PRO A 39 7.884 -15.732 1.630 1.00 62.52 H new ATOM 0 HG3 PRO A 39 7.847 -14.099 0.994 1.00 62.52 H new ATOM 0 HD2 PRO A 39 7.696 -14.497 3.654 1.00 40.54 H new ATOM 0 HD3 PRO A 39 6.735 -13.232 2.915 1.00 40.54 H new ATOM 575 N THR A 40 3.739 -17.637 1.474 1.00 11.03 N ATOM 576 CA THR A 40 3.448 -19.100 1.402 1.00 24.12 C ATOM 577 C THR A 40 4.515 -19.880 0.583 1.00 63.01 C ATOM 578 O THR A 40 4.605 -21.106 0.680 1.00 34.30 O ATOM 579 CB THR A 40 2.034 -19.379 0.788 1.00 51.12 C ATOM 580 OG1 THR A 40 2.000 -18.950 -0.585 1.00 3.12 O ATOM 581 CG2 THR A 40 0.915 -18.667 1.576 1.00 74.23 C ATOM 0 H THR A 40 3.024 -17.057 1.035 1.00 11.03 H new ATOM 0 HA THR A 40 3.473 -19.455 2.432 1.00 24.12 H new ATOM 0 HB THR A 40 1.858 -20.453 0.847 1.00 51.12 H new ATOM 0 HG1 THR A 40 1.113 -19.129 -0.962 1.00 3.12 H new ATOM 0 HG21 THR A 40 -0.049 -18.886 1.117 1.00 74.23 H new ATOM 0 HG22 THR A 40 0.915 -19.020 2.607 1.00 74.23 H new ATOM 0 HG23 THR A 40 1.087 -17.591 1.561 1.00 74.23 H new ATOM 589 N ASN A 41 5.304 -19.146 -0.234 1.00 53.14 N ATOM 590 CA ASN A 41 6.472 -19.704 -0.968 1.00 52.43 C ATOM 591 C ASN A 41 7.642 -20.054 0.000 1.00 54.31 C ATOM 592 O ASN A 41 8.523 -20.858 -0.338 1.00 53.14 O ATOM 593 CB ASN A 41 6.945 -18.690 -2.041 1.00 72.31 C ATOM 594 CG ASN A 41 5.974 -18.485 -3.217 1.00 2.44 C ATOM 595 OD1 ASN A 41 6.403 -18.185 -4.323 1.00 55.03 O ATOM 596 ND2 ASN A 41 4.670 -18.636 -3.012 1.00 13.33 N ATOM 0 H ASN A 41 5.153 -18.152 -0.406 1.00 53.14 H new ATOM 0 HA ASN A 41 6.160 -20.629 -1.453 1.00 52.43 H new ATOM 0 HB2 ASN A 41 7.116 -17.727 -1.559 1.00 72.31 H new ATOM 0 HB3 ASN A 41 7.905 -19.023 -2.436 1.00 72.31 H new ATOM 0 HD21 ASN A 41 4.014 -18.502 -3.781 1.00 13.33 H new ATOM 0 HD22 ASN A 41 4.325 -18.886 -2.085 1.00 13.33 H new ATOM 603 N GLY A 42 7.628 -19.435 1.198 1.00 20.52 N ATOM 604 CA GLY A 42 8.500 -19.822 2.314 1.00 4.15 C ATOM 605 C GLY A 42 9.932 -19.291 2.233 1.00 42.51 C ATOM 606 O GLY A 42 10.848 -19.938 2.746 1.00 72.05 O ATOM 0 H GLY A 42 7.010 -18.653 1.414 1.00 20.52 H new ATOM 0 HA2 GLY A 42 8.051 -19.472 3.244 1.00 4.15 H new ATOM 0 HA3 GLY A 42 8.535 -20.910 2.367 1.00 4.15 H new ATOM 610 N GLY A 43 10.136 -18.117 1.597 1.00 14.35 N ATOM 611 CA GLY A 43 11.468 -17.486 1.524 1.00 31.01 C ATOM 612 C GLY A 43 11.693 -16.428 2.611 1.00 22.31 C ATOM 613 O GLY A 43 11.506 -16.709 3.801 1.00 43.12 O ATOM 0 H GLY A 43 9.398 -17.591 1.129 1.00 14.35 H new ATOM 0 HA2 GLY A 43 12.234 -18.257 1.612 1.00 31.01 H new ATOM 0 HA3 GLY A 43 11.591 -17.024 0.545 1.00 31.01 H new ATOM 617 N GLN A 44 12.105 -15.211 2.200 1.00 51.54 N ATOM 618 CA GLN A 44 12.344 -14.076 3.121 1.00 44.23 C ATOM 619 C GLN A 44 10.999 -13.493 3.627 1.00 31.35 C ATOM 620 O GLN A 44 10.156 -13.084 2.821 1.00 71.34 O ATOM 621 CB GLN A 44 13.205 -12.992 2.395 1.00 1.23 C ATOM 622 CG GLN A 44 13.615 -11.753 3.251 1.00 74.32 C ATOM 623 CD GLN A 44 12.800 -10.480 2.958 1.00 21.41 C ATOM 624 OE1 GLN A 44 11.773 -10.229 3.562 1.00 50.42 O ATOM 625 NE2 GLN A 44 13.259 -9.674 2.018 1.00 20.53 N ATOM 0 H GLN A 44 12.282 -14.986 1.221 1.00 51.54 H new ATOM 0 HA GLN A 44 12.894 -14.425 3.995 1.00 44.23 H new ATOM 0 HB2 GLN A 44 14.113 -13.467 2.023 1.00 1.23 H new ATOM 0 HB3 GLN A 44 12.651 -12.640 1.525 1.00 1.23 H new ATOM 0 HG2 GLN A 44 13.507 -12.004 4.306 1.00 74.32 H new ATOM 0 HG3 GLN A 44 14.670 -11.542 3.080 1.00 74.32 H new ATOM 0 HE21 GLN A 44 14.122 -9.905 1.525 1.00 20.53 H new ATOM 0 HE22 GLN A 44 12.751 -8.821 1.785 1.00 20.53 H new ATOM 634 N ARG A 45 10.796 -13.529 4.964 1.00 24.22 N ATOM 635 CA ARG A 45 9.602 -12.951 5.634 1.00 21.31 C ATOM 636 C ARG A 45 9.433 -11.435 5.322 1.00 62.12 C ATOM 637 O ARG A 45 10.171 -10.596 5.856 1.00 44.13 O ATOM 638 CB ARG A 45 9.701 -13.171 7.174 1.00 4.13 C ATOM 639 CG ARG A 45 8.506 -12.602 7.983 1.00 45.54 C ATOM 640 CD ARG A 45 8.700 -12.693 9.507 1.00 5.15 C ATOM 641 NE ARG A 45 8.843 -14.084 9.986 1.00 31.31 N ATOM 642 CZ ARG A 45 9.547 -14.462 11.041 1.00 2.14 C ATOM 643 NH1 ARG A 45 10.283 -13.613 11.704 1.00 62.21 N ATOM 644 NH2 ARG A 45 9.537 -15.696 11.415 1.00 22.30 N ATOM 0 H ARG A 45 11.455 -13.960 5.612 1.00 24.22 H new ATOM 0 HA ARG A 45 8.723 -13.465 5.244 1.00 21.31 H new ATOM 0 HB2 ARG A 45 9.781 -14.240 7.371 1.00 4.13 H new ATOM 0 HB3 ARG A 45 10.620 -12.711 7.536 1.00 4.13 H new ATOM 0 HG2 ARG A 45 8.353 -11.559 7.705 1.00 45.54 H new ATOM 0 HG3 ARG A 45 7.600 -13.142 7.707 1.00 45.54 H new ATOM 0 HD2 ARG A 45 9.585 -12.124 9.790 1.00 5.15 H new ATOM 0 HD3 ARG A 45 7.849 -12.228 10.005 1.00 5.15 H new ATOM 0 HE ARG A 45 8.359 -14.812 9.460 1.00 31.31 H new ATOM 0 HH11 ARG A 45 10.324 -12.637 11.412 1.00 62.21 H new ATOM 0 HH12 ARG A 45 10.818 -13.926 12.514 1.00 62.21 H new ATOM 0 HH21 ARG A 45 8.986 -16.381 10.898 1.00 22.30 H new ATOM 0 HH22 ARG A 45 10.080 -15.987 12.228 1.00 22.30 H new ATOM 658 N VAL A 46 8.453 -11.105 4.460 1.00 44.41 N ATOM 659 CA VAL A 46 8.171 -9.709 4.062 1.00 21.34 C ATOM 660 C VAL A 46 7.511 -8.945 5.239 1.00 4.44 C ATOM 661 O VAL A 46 6.327 -9.137 5.545 1.00 50.43 O ATOM 662 CB VAL A 46 7.262 -9.641 2.774 1.00 10.34 C ATOM 663 CG1 VAL A 46 7.006 -8.173 2.326 1.00 72.31 C ATOM 664 CG2 VAL A 46 7.868 -10.483 1.618 1.00 20.41 C ATOM 0 H VAL A 46 7.838 -11.791 4.022 1.00 44.41 H new ATOM 0 HA VAL A 46 9.119 -9.232 3.814 1.00 21.34 H new ATOM 0 HB VAL A 46 6.296 -10.073 3.034 1.00 10.34 H new ATOM 0 HG11 VAL A 46 6.376 -8.169 1.436 1.00 72.31 H new ATOM 0 HG12 VAL A 46 6.505 -7.630 3.128 1.00 72.31 H new ATOM 0 HG13 VAL A 46 7.957 -7.691 2.100 1.00 72.31 H new ATOM 0 HG21 VAL A 46 7.221 -10.418 0.743 1.00 20.41 H new ATOM 0 HG22 VAL A 46 8.857 -10.099 1.368 1.00 20.41 H new ATOM 0 HG23 VAL A 46 7.952 -11.524 1.931 1.00 20.41 H new ATOM 674 N ASP A 47 8.299 -8.080 5.897 1.00 65.11 N ATOM 675 CA ASP A 47 7.859 -7.332 7.091 1.00 51.34 C ATOM 676 C ASP A 47 7.715 -5.836 6.748 1.00 4.13 C ATOM 677 O ASP A 47 8.363 -5.346 5.807 1.00 23.31 O ATOM 678 CB ASP A 47 8.837 -7.543 8.277 1.00 74.20 C ATOM 679 CG ASP A 47 10.226 -6.924 8.056 1.00 44.14 C ATOM 680 OD1 ASP A 47 11.032 -7.515 7.315 1.00 11.10 O ATOM 681 OD2 ASP A 47 10.512 -5.845 8.629 1.00 33.04 O ATOM 0 H ASP A 47 9.259 -7.878 5.618 1.00 65.11 H new ATOM 0 HA ASP A 47 6.887 -7.714 7.402 1.00 51.34 H new ATOM 0 HB2 ASP A 47 8.398 -7.114 9.178 1.00 74.20 H new ATOM 0 HB3 ASP A 47 8.951 -8.612 8.456 1.00 74.20 H new ATOM 686 N HIS A 48 6.866 -5.123 7.517 1.00 32.42 N ATOM 687 CA HIS A 48 6.569 -3.680 7.296 1.00 30.53 C ATOM 688 C HIS A 48 5.986 -3.412 5.875 1.00 63.52 C ATOM 689 O HIS A 48 6.176 -2.329 5.311 1.00 3.33 O ATOM 690 CB HIS A 48 7.834 -2.796 7.573 1.00 31.23 C ATOM 691 CG HIS A 48 8.267 -2.744 9.015 1.00 55.35 C ATOM 692 ND1 HIS A 48 8.988 -1.691 9.535 1.00 15.54 N ATOM 693 CD2 HIS A 48 8.071 -3.597 10.047 1.00 31.42 C ATOM 694 CE1 HIS A 48 9.207 -1.892 10.814 1.00 13.22 C ATOM 695 NE2 HIS A 48 8.660 -3.040 11.159 1.00 61.13 N ATOM 0 H HIS A 48 6.364 -5.525 8.309 1.00 32.42 H new ATOM 0 HA HIS A 48 5.797 -3.396 8.012 1.00 30.53 H new ATOM 0 HB2 HIS A 48 8.662 -3.174 6.973 1.00 31.23 H new ATOM 0 HB3 HIS A 48 7.632 -1.781 7.233 1.00 31.23 H new ATOM 0 HD2 HIS A 48 7.548 -4.541 10.006 1.00 31.42 H new ATOM 0 HE1 HIS A 48 9.746 -1.227 11.473 1.00 13.22 H new ATOM 0 HE2 HIS A 48 8.671 -3.448 12.094 1.00 61.13 H new ATOM 704 N HIS A 49 5.262 -4.411 5.332 1.00 52.31 N ATOM 705 CA HIS A 49 4.625 -4.338 4.000 1.00 44.41 C ATOM 706 C HIS A 49 3.518 -3.256 3.974 1.00 51.32 C ATOM 707 O HIS A 49 2.594 -3.264 4.801 1.00 34.34 O ATOM 708 CB HIS A 49 4.049 -5.720 3.603 1.00 43.21 C ATOM 709 CG HIS A 49 3.516 -5.798 2.184 1.00 50.23 C ATOM 710 ND1 HIS A 49 4.261 -6.348 1.167 1.00 11.30 N ATOM 711 CD2 HIS A 49 2.320 -5.395 1.674 1.00 60.44 C ATOM 712 CE1 HIS A 49 3.518 -6.263 0.082 1.00 5.41 C ATOM 713 NE2 HIS A 49 2.336 -5.696 0.339 1.00 52.31 N ATOM 0 H HIS A 49 5.101 -5.298 5.808 1.00 52.31 H new ATOM 0 HA HIS A 49 5.386 -4.057 3.272 1.00 44.41 H new ATOM 0 HB2 HIS A 49 4.828 -6.473 3.727 1.00 43.21 H new ATOM 0 HB3 HIS A 49 3.246 -5.976 4.294 1.00 43.21 H new ATOM 0 HD2 HIS A 49 1.513 -4.927 2.219 1.00 60.44 H new ATOM 0 HE1 HIS A 49 3.826 -6.609 -0.894 1.00 5.41 H new ATOM 0 HE2 HIS A 49 1.588 -5.521 -0.332 1.00 52.31 H new ATOM 721 N LYS A 50 3.636 -2.330 3.007 1.00 24.11 N ATOM 722 CA LYS A 50 2.754 -1.154 2.876 1.00 40.55 C ATOM 723 C LYS A 50 2.405 -0.872 1.380 1.00 40.05 C ATOM 724 O LYS A 50 3.250 -1.064 0.507 1.00 33.52 O ATOM 725 CB LYS A 50 3.457 0.084 3.497 1.00 64.13 C ATOM 726 CG LYS A 50 3.606 0.076 5.038 1.00 31.25 C ATOM 727 CD LYS A 50 4.480 1.250 5.565 1.00 73.22 C ATOM 728 CE LYS A 50 5.993 0.942 5.602 1.00 50.23 C ATOM 729 NZ LYS A 50 6.526 0.346 4.343 1.00 15.03 N ATOM 0 H LYS A 50 4.355 -2.376 2.285 1.00 24.11 H new ATOM 0 HA LYS A 50 1.823 -1.358 3.405 1.00 40.55 H new ATOM 0 HB2 LYS A 50 4.450 0.173 3.056 1.00 64.13 H new ATOM 0 HB3 LYS A 50 2.900 0.976 3.210 1.00 64.13 H new ATOM 0 HG2 LYS A 50 2.618 0.131 5.494 1.00 31.25 H new ATOM 0 HG3 LYS A 50 4.049 -0.870 5.351 1.00 31.25 H new ATOM 0 HD2 LYS A 50 4.313 2.124 4.935 1.00 73.22 H new ATOM 0 HD3 LYS A 50 4.149 1.513 6.570 1.00 73.22 H new ATOM 0 HE2 LYS A 50 6.535 1.864 5.812 1.00 50.23 H new ATOM 0 HE3 LYS A 50 6.193 0.259 6.427 1.00 50.23 H new ATOM 0 HZ1 LYS A 50 7.526 0.609 4.231 1.00 15.03 H new ATOM 0 HZ2 LYS A 50 6.443 -0.690 4.387 1.00 15.03 H new ATOM 0 HZ3 LYS A 50 5.981 0.703 3.532 1.00 15.03 H new ATOM 743 N TRP A 51 1.168 -0.405 1.058 1.00 15.13 N ATOM 744 CA TRP A 51 0.044 -0.208 2.018 1.00 3.03 C ATOM 745 C TRP A 51 -1.105 -1.195 1.750 1.00 70.35 C ATOM 746 O TRP A 51 -1.478 -1.436 0.599 1.00 0.02 O ATOM 747 CB TRP A 51 -0.488 1.254 1.959 1.00 4.14 C ATOM 748 CG TRP A 51 0.498 2.264 2.486 1.00 5.31 C ATOM 749 CD1 TRP A 51 1.396 3.003 1.767 1.00 61.34 C ATOM 750 CD2 TRP A 51 0.697 2.621 3.865 1.00 35.35 C ATOM 751 NE1 TRP A 51 2.135 3.789 2.610 1.00 10.23 N ATOM 752 CE2 TRP A 51 1.729 3.574 3.902 1.00 3.41 C ATOM 753 CE3 TRP A 51 0.102 2.219 5.071 1.00 34.23 C ATOM 754 CZ2 TRP A 51 2.182 4.138 5.095 1.00 51.04 C ATOM 755 CZ3 TRP A 51 0.547 2.780 6.254 1.00 74.35 C ATOM 756 CH2 TRP A 51 1.581 3.728 6.259 1.00 35.42 C ATOM 0 H TRP A 51 0.918 -0.149 0.103 1.00 15.13 H new ATOM 0 HA TRP A 51 0.435 -0.401 3.017 1.00 3.03 H new ATOM 0 HB2 TRP A 51 -0.737 1.502 0.927 1.00 4.14 H new ATOM 0 HB3 TRP A 51 -1.411 1.322 2.535 1.00 4.14 H new ATOM 0 HD1 TRP A 51 1.506 2.971 0.693 1.00 61.34 H new ATOM 0 HE1 TRP A 51 2.872 4.433 2.322 1.00 10.23 H new ATOM 0 HE3 TRP A 51 -0.690 1.484 5.075 1.00 34.23 H new ATOM 0 HZ2 TRP A 51 2.976 4.870 5.102 1.00 51.04 H new ATOM 0 HZ3 TRP A 51 0.092 2.484 7.188 1.00 74.35 H new ATOM 0 HH2 TRP A 51 1.911 4.144 7.199 1.00 35.42 H new ATOM 767 N VAL A 52 -1.659 -1.740 2.842 1.00 71.24 N ATOM 768 CA VAL A 52 -2.861 -2.594 2.813 1.00 22.34 C ATOM 769 C VAL A 52 -4.018 -1.858 3.512 1.00 4.21 C ATOM 770 O VAL A 52 -3.812 -1.197 4.534 1.00 10.23 O ATOM 771 CB VAL A 52 -2.615 -4.009 3.472 1.00 53.44 C ATOM 772 CG1 VAL A 52 -1.532 -4.801 2.700 1.00 14.52 C ATOM 773 CG2 VAL A 52 -2.253 -3.902 4.975 1.00 32.51 C ATOM 0 H VAL A 52 -1.284 -1.601 3.780 1.00 71.24 H new ATOM 0 HA VAL A 52 -3.117 -2.783 1.771 1.00 22.34 H new ATOM 0 HB VAL A 52 -3.555 -4.557 3.407 1.00 53.44 H new ATOM 0 HG11 VAL A 52 -1.383 -5.771 3.175 1.00 14.52 H new ATOM 0 HG12 VAL A 52 -1.854 -4.948 1.669 1.00 14.52 H new ATOM 0 HG13 VAL A 52 -0.596 -4.243 2.712 1.00 14.52 H new ATOM 0 HG21 VAL A 52 -2.093 -4.900 5.383 1.00 32.51 H new ATOM 0 HG22 VAL A 52 -1.343 -3.314 5.089 1.00 32.51 H new ATOM 0 HG23 VAL A 52 -3.068 -3.417 5.512 1.00 32.51 H new ATOM 783 N ILE A 53 -5.230 -1.937 2.950 1.00 73.42 N ATOM 784 CA ILE A 53 -6.404 -1.216 3.503 1.00 2.41 C ATOM 785 C ILE A 53 -7.296 -2.146 4.361 1.00 32.23 C ATOM 786 O ILE A 53 -7.167 -3.376 4.315 1.00 2.03 O ATOM 787 CB ILE A 53 -7.253 -0.521 2.368 1.00 13.42 C ATOM 788 CG1 ILE A 53 -7.823 -1.568 1.351 1.00 74.22 C ATOM 789 CG2 ILE A 53 -6.409 0.558 1.646 1.00 71.14 C ATOM 790 CD1 ILE A 53 -8.720 -0.992 0.263 1.00 63.41 C ATOM 0 H ILE A 53 -5.433 -2.488 2.116 1.00 73.42 H new ATOM 0 HA ILE A 53 -6.013 -0.434 4.153 1.00 2.41 H new ATOM 0 HB ILE A 53 -8.106 -0.033 2.838 1.00 13.42 H new ATOM 0 HG12 ILE A 53 -6.987 -2.082 0.876 1.00 74.22 H new ATOM 0 HG13 ILE A 53 -8.386 -2.319 1.905 1.00 74.22 H new ATOM 0 HG21 ILE A 53 -7.009 1.028 0.866 1.00 71.14 H new ATOM 0 HG22 ILE A 53 -6.092 1.314 2.365 1.00 71.14 H new ATOM 0 HG23 ILE A 53 -5.531 0.093 1.198 1.00 71.14 H new ATOM 0 HD11 ILE A 53 -9.063 -1.795 -0.389 1.00 63.41 H new ATOM 0 HD12 ILE A 53 -9.580 -0.504 0.721 1.00 63.41 H new ATOM 0 HD13 ILE A 53 -8.159 -0.264 -0.323 1.00 63.41 H new ATOM 802 N GLN A 54 -8.157 -1.530 5.192 1.00 33.30 N ATOM 803 CA GLN A 54 -9.159 -2.231 6.028 1.00 64.53 C ATOM 804 C GLN A 54 -10.041 -3.229 5.225 1.00 33.31 C ATOM 805 O GLN A 54 -10.304 -4.347 5.676 1.00 74.14 O ATOM 806 CB GLN A 54 -10.028 -1.152 6.732 1.00 32.21 C ATOM 807 CG GLN A 54 -11.018 -1.680 7.783 1.00 51.53 C ATOM 808 CD GLN A 54 -11.841 -0.575 8.445 1.00 4.42 C ATOM 809 OE1 GLN A 54 -12.152 0.442 7.833 1.00 2.01 O ATOM 810 NE2 GLN A 54 -12.190 -0.751 9.699 1.00 64.14 N ATOM 0 H GLN A 54 -8.179 -0.517 5.306 1.00 33.30 H new ATOM 0 HA GLN A 54 -8.634 -2.844 6.760 1.00 64.53 H new ATOM 0 HB2 GLN A 54 -9.364 -0.433 7.213 1.00 32.21 H new ATOM 0 HB3 GLN A 54 -10.589 -0.609 5.971 1.00 32.21 H new ATOM 0 HG2 GLN A 54 -11.693 -2.393 7.310 1.00 51.53 H new ATOM 0 HG3 GLN A 54 -10.467 -2.223 8.551 1.00 51.53 H new ATOM 0 HE21 GLN A 54 -11.921 -1.604 10.188 1.00 64.14 H new ATOM 0 HE22 GLN A 54 -12.730 -0.034 10.183 1.00 64.14 H new ATOM 819 N GLU A 55 -10.456 -2.821 4.014 1.00 42.31 N ATOM 820 CA GLU A 55 -11.307 -3.650 3.122 1.00 1.42 C ATOM 821 C GLU A 55 -10.517 -4.844 2.485 1.00 23.24 C ATOM 822 O GLU A 55 -11.103 -5.793 1.950 1.00 1.44 O ATOM 823 CB GLU A 55 -11.912 -2.726 2.029 1.00 13.45 C ATOM 824 CG GLU A 55 -12.933 -3.399 1.091 1.00 64.24 C ATOM 825 CD GLU A 55 -13.570 -2.421 0.091 1.00 62.22 C ATOM 826 OE1 GLU A 55 -12.931 -2.110 -0.938 1.00 42.11 O ATOM 827 OE2 GLU A 55 -14.711 -1.955 0.330 1.00 70.04 O ATOM 0 H GLU A 55 -10.216 -1.911 3.620 1.00 42.31 H new ATOM 0 HA GLU A 55 -12.104 -4.103 3.712 1.00 1.42 H new ATOM 0 HB2 GLU A 55 -12.395 -1.880 2.518 1.00 13.45 H new ATOM 0 HB3 GLU A 55 -11.099 -2.324 1.425 1.00 13.45 H new ATOM 0 HG2 GLU A 55 -12.439 -4.201 0.542 1.00 64.24 H new ATOM 0 HG3 GLU A 55 -13.719 -3.860 1.690 1.00 64.24 H new ATOM 834 N GLU A 56 -9.179 -4.793 2.586 1.00 61.11 N ATOM 835 CA GLU A 56 -8.255 -5.807 2.012 1.00 54.04 C ATOM 836 C GLU A 56 -7.927 -6.918 3.047 1.00 61.40 C ATOM 837 O GLU A 56 -7.469 -8.017 2.690 1.00 41.11 O ATOM 838 CB GLU A 56 -6.980 -5.059 1.521 1.00 43.43 C ATOM 839 CG GLU A 56 -5.856 -5.929 0.918 1.00 15.22 C ATOM 840 CD GLU A 56 -4.992 -5.162 -0.098 1.00 23.42 C ATOM 841 OE1 GLU A 56 -4.315 -4.198 0.298 1.00 31.25 O ATOM 842 OE2 GLU A 56 -5.027 -5.491 -1.308 1.00 61.53 O ATOM 0 H GLU A 56 -8.694 -4.040 3.073 1.00 61.11 H new ATOM 0 HA GLU A 56 -8.722 -6.318 1.170 1.00 54.04 H new ATOM 0 HB2 GLU A 56 -7.282 -4.326 0.773 1.00 43.43 H new ATOM 0 HB3 GLU A 56 -6.566 -4.503 2.362 1.00 43.43 H new ATOM 0 HG2 GLU A 56 -5.220 -6.302 1.721 1.00 15.22 H new ATOM 0 HG3 GLU A 56 -6.297 -6.799 0.431 1.00 15.22 H new ATOM 849 N ILE A 57 -8.208 -6.627 4.332 1.00 5.11 N ATOM 850 CA ILE A 57 -8.011 -7.570 5.453 1.00 74.40 C ATOM 851 C ILE A 57 -9.370 -8.179 5.884 1.00 71.44 C ATOM 852 O ILE A 57 -10.353 -7.451 6.071 1.00 43.33 O ATOM 853 CB ILE A 57 -7.319 -6.855 6.681 1.00 62.12 C ATOM 854 CG1 ILE A 57 -5.883 -6.357 6.287 1.00 14.54 C ATOM 855 CG2 ILE A 57 -7.275 -7.775 7.929 1.00 63.43 C ATOM 856 CD1 ILE A 57 -5.098 -5.681 7.408 1.00 65.01 C ATOM 0 H ILE A 57 -8.581 -5.724 4.625 1.00 5.11 H new ATOM 0 HA ILE A 57 -7.354 -8.371 5.113 1.00 74.40 H new ATOM 0 HB ILE A 57 -7.921 -5.986 6.947 1.00 62.12 H new ATOM 0 HG12 ILE A 57 -5.307 -7.209 5.925 1.00 14.54 H new ATOM 0 HG13 ILE A 57 -5.974 -5.657 5.456 1.00 14.54 H new ATOM 0 HG21 ILE A 57 -6.792 -7.249 8.752 1.00 63.43 H new ATOM 0 HG22 ILE A 57 -8.291 -8.046 8.217 1.00 63.43 H new ATOM 0 HG23 ILE A 57 -6.711 -8.678 7.696 1.00 63.43 H new ATOM 0 HD11 ILE A 57 -4.121 -5.374 7.034 1.00 65.01 H new ATOM 0 HD12 ILE A 57 -5.644 -4.805 7.758 1.00 65.01 H new ATOM 0 HD13 ILE A 57 -4.967 -6.380 8.234 1.00 65.01 H new ATOM 868 N LYS A 58 -9.397 -9.515 6.042 1.00 51.43 N ATOM 869 CA LYS A 58 -10.599 -10.270 6.472 1.00 11.44 C ATOM 870 C LYS A 58 -11.023 -9.890 7.911 1.00 11.05 C ATOM 871 O LYS A 58 -12.160 -9.477 8.161 1.00 4.01 O ATOM 872 CB LYS A 58 -10.308 -11.794 6.397 1.00 52.32 C ATOM 873 CG LYS A 58 -11.492 -12.699 6.802 1.00 62.41 C ATOM 874 CD LYS A 58 -11.182 -14.198 6.613 1.00 54.21 C ATOM 875 CE LYS A 58 -12.369 -15.099 6.995 1.00 60.42 C ATOM 876 NZ LYS A 58 -12.114 -16.521 6.661 1.00 22.13 N ATOM 0 H LYS A 58 -8.584 -10.108 5.875 1.00 51.43 H new ATOM 0 HA LYS A 58 -11.419 -10.013 5.802 1.00 11.44 H new ATOM 0 HB2 LYS A 58 -10.010 -12.043 5.379 1.00 52.32 H new ATOM 0 HB3 LYS A 58 -9.459 -12.020 7.042 1.00 52.32 H new ATOM 0 HG2 LYS A 58 -11.747 -12.513 7.845 1.00 62.41 H new ATOM 0 HG3 LYS A 58 -12.367 -12.435 6.208 1.00 62.41 H new ATOM 0 HD2 LYS A 58 -10.911 -14.381 5.573 1.00 54.21 H new ATOM 0 HD3 LYS A 58 -10.317 -14.466 7.220 1.00 54.21 H new ATOM 0 HE2 LYS A 58 -12.566 -15.007 8.063 1.00 60.42 H new ATOM 0 HE3 LYS A 58 -13.265 -14.759 6.475 1.00 60.42 H new ATOM 0 HZ1 LYS A 58 -12.937 -17.095 6.934 1.00 22.13 H new ATOM 0 HZ2 LYS A 58 -11.951 -16.614 5.638 1.00 22.13 H new ATOM 0 HZ3 LYS A 58 -11.274 -16.853 7.177 1.00 22.13 H new ATOM 890 N ASP A 59 -10.065 -10.020 8.840 1.00 21.21 N ATOM 891 CA ASP A 59 -10.281 -9.836 10.292 1.00 53.32 C ATOM 892 C ASP A 59 -10.476 -8.360 10.719 1.00 13.20 C ATOM 893 O ASP A 59 -10.744 -8.109 11.903 1.00 2.33 O ATOM 894 CB ASP A 59 -9.096 -10.465 11.063 1.00 64.43 C ATOM 895 CG ASP A 59 -8.977 -11.980 10.837 1.00 30.23 C ATOM 896 OD1 ASP A 59 -8.558 -12.398 9.739 1.00 61.14 O ATOM 897 OD2 ASP A 59 -9.324 -12.761 11.743 1.00 1.31 O ATOM 0 H ASP A 59 -9.102 -10.260 8.605 1.00 21.21 H new ATOM 0 HA ASP A 59 -11.216 -10.338 10.539 1.00 53.32 H new ATOM 0 HB2 ASP A 59 -8.169 -9.982 10.753 1.00 64.43 H new ATOM 0 HB3 ASP A 59 -9.217 -10.269 12.128 1.00 64.43 H new ATOM 902 N ALA A 60 -10.313 -7.393 9.782 1.00 24.23 N ATOM 903 CA ALA A 60 -10.464 -5.944 10.076 1.00 14.20 C ATOM 904 C ALA A 60 -11.803 -5.572 10.759 1.00 21.20 C ATOM 905 O ALA A 60 -11.821 -4.681 11.594 1.00 33.01 O ATOM 906 CB ALA A 60 -10.253 -5.131 8.796 1.00 51.14 C ATOM 0 H ALA A 60 -10.075 -7.592 8.810 1.00 24.23 H new ATOM 0 HA ALA A 60 -9.694 -5.693 10.806 1.00 14.20 H new ATOM 0 HB1 ALA A 60 -10.365 -4.069 9.017 1.00 51.14 H new ATOM 0 HB2 ALA A 60 -9.252 -5.317 8.407 1.00 51.14 H new ATOM 0 HB3 ALA A 60 -10.992 -5.427 8.051 1.00 51.14 H new ATOM 912 N GLY A 61 -12.919 -6.200 10.335 1.00 40.12 N ATOM 913 CA GLY A 61 -14.176 -6.203 11.119 1.00 54.13 C ATOM 914 C GLY A 61 -14.871 -4.839 11.295 1.00 12.04 C ATOM 915 O GLY A 61 -15.546 -4.628 12.314 1.00 74.44 O ATOM 0 H GLY A 61 -12.977 -6.712 9.455 1.00 40.12 H new ATOM 0 HA2 GLY A 61 -14.877 -6.886 10.639 1.00 54.13 H new ATOM 0 HA3 GLY A 61 -13.962 -6.609 12.108 1.00 54.13 H new ATOM 919 N ASP A 62 -14.682 -3.917 10.322 1.00 74.40 N ATOM 920 CA ASP A 62 -15.179 -2.507 10.389 1.00 64.31 C ATOM 921 C ASP A 62 -14.570 -1.700 11.584 1.00 52.41 C ATOM 922 O ASP A 62 -15.041 -0.600 11.900 1.00 51.23 O ATOM 923 CB ASP A 62 -16.737 -2.446 10.417 1.00 42.23 C ATOM 924 CG ASP A 62 -17.383 -3.022 9.147 1.00 42.41 C ATOM 925 OD1 ASP A 62 -17.398 -2.326 8.107 1.00 61.44 O ATOM 926 OD2 ASP A 62 -17.879 -4.173 9.179 1.00 61.15 O ATOM 0 H ASP A 62 -14.178 -4.124 9.460 1.00 74.40 H new ATOM 0 HA ASP A 62 -14.834 -2.026 9.474 1.00 64.31 H new ATOM 0 HB2 ASP A 62 -17.101 -2.996 11.285 1.00 42.23 H new ATOM 0 HB3 ASP A 62 -17.052 -1.410 10.541 1.00 42.23 H new ATOM 931 N LYS A 63 -13.495 -2.233 12.200 1.00 22.33 N ATOM 932 CA LYS A 63 -12.806 -1.600 13.355 1.00 23.22 C ATOM 933 C LYS A 63 -11.324 -1.287 13.016 1.00 45.13 C ATOM 934 O LYS A 63 -10.797 -1.738 11.990 1.00 33.52 O ATOM 935 CB LYS A 63 -12.887 -2.527 14.610 1.00 2.45 C ATOM 936 CG LYS A 63 -12.100 -3.849 14.485 1.00 35.44 C ATOM 937 CD LYS A 63 -12.125 -4.714 15.764 1.00 5.11 C ATOM 938 CE LYS A 63 -11.269 -5.989 15.624 1.00 4.30 C ATOM 939 NZ LYS A 63 -11.209 -6.769 16.885 1.00 32.14 N ATOM 0 H LYS A 63 -13.075 -3.117 11.913 1.00 22.33 H new ATOM 0 HA LYS A 63 -13.311 -0.660 13.576 1.00 23.22 H new ATOM 0 HB2 LYS A 63 -12.515 -1.978 15.475 1.00 2.45 H new ATOM 0 HB3 LYS A 63 -13.934 -2.760 14.806 1.00 2.45 H new ATOM 0 HG2 LYS A 63 -12.511 -4.428 13.658 1.00 35.44 H new ATOM 0 HG3 LYS A 63 -11.064 -3.622 14.232 1.00 35.44 H new ATOM 0 HD2 LYS A 63 -11.761 -4.125 16.606 1.00 5.11 H new ATOM 0 HD3 LYS A 63 -13.154 -4.993 15.992 1.00 5.11 H new ATOM 0 HE2 LYS A 63 -11.680 -6.615 14.832 1.00 4.30 H new ATOM 0 HE3 LYS A 63 -10.259 -5.714 15.321 1.00 4.30 H new ATOM 0 HZ1 LYS A 63 -10.623 -7.616 16.742 1.00 32.14 H new ATOM 0 HZ2 LYS A 63 -10.792 -6.183 17.636 1.00 32.14 H new ATOM 0 HZ3 LYS A 63 -12.170 -7.055 17.162 1.00 32.14 H new ATOM 953 N THR A 64 -10.654 -0.537 13.907 1.00 33.54 N ATOM 954 CA THR A 64 -9.235 -0.156 13.741 1.00 72.34 C ATOM 955 C THR A 64 -8.347 -1.144 14.537 1.00 23.23 C ATOM 956 O THR A 64 -8.415 -1.188 15.773 1.00 44.42 O ATOM 957 CB THR A 64 -8.976 1.319 14.221 1.00 75.31 C ATOM 958 OG1 THR A 64 -9.934 2.205 13.617 1.00 62.43 O ATOM 959 CG2 THR A 64 -7.561 1.810 13.863 1.00 61.45 C ATOM 0 H THR A 64 -11.077 -0.177 14.762 1.00 33.54 H new ATOM 0 HA THR A 64 -8.983 -0.204 12.682 1.00 72.34 H new ATOM 0 HB THR A 64 -9.076 1.322 15.306 1.00 75.31 H new ATOM 0 HG1 THR A 64 -9.769 3.122 13.921 1.00 62.43 H new ATOM 0 HG21 THR A 64 -7.431 2.833 14.215 1.00 61.45 H new ATOM 0 HG22 THR A 64 -6.821 1.166 14.338 1.00 61.45 H new ATOM 0 HG23 THR A 64 -7.428 1.779 12.782 1.00 61.45 H new ATOM 967 N LEU A 65 -7.521 -1.928 13.819 1.00 43.15 N ATOM 968 CA LEU A 65 -6.700 -3.018 14.417 1.00 15.24 C ATOM 969 C LEU A 65 -5.467 -2.442 15.156 1.00 63.12 C ATOM 970 O LEU A 65 -4.837 -1.508 14.673 1.00 61.41 O ATOM 971 CB LEU A 65 -6.256 -3.996 13.296 1.00 11.25 C ATOM 972 CG LEU A 65 -7.416 -4.610 12.443 1.00 1.54 C ATOM 973 CD1 LEU A 65 -6.878 -5.305 11.174 1.00 71.03 C ATOM 974 CD2 LEU A 65 -8.279 -5.575 13.290 1.00 1.35 C ATOM 0 H LEU A 65 -7.398 -1.831 12.811 1.00 43.15 H new ATOM 0 HA LEU A 65 -7.302 -3.555 15.150 1.00 15.24 H new ATOM 0 HB2 LEU A 65 -5.575 -3.470 12.627 1.00 11.25 H new ATOM 0 HB3 LEU A 65 -5.691 -4.810 13.750 1.00 11.25 H new ATOM 0 HG LEU A 65 -8.056 -3.790 12.118 1.00 1.54 H new ATOM 0 HD11 LEU A 65 -7.710 -5.720 10.606 1.00 71.03 H new ATOM 0 HD12 LEU A 65 -6.345 -4.579 10.560 1.00 71.03 H new ATOM 0 HD13 LEU A 65 -6.198 -6.108 11.459 1.00 71.03 H new ATOM 0 HD21 LEU A 65 -9.077 -5.987 12.672 1.00 1.35 H new ATOM 0 HD22 LEU A 65 -7.655 -6.386 13.666 1.00 1.35 H new ATOM 0 HD23 LEU A 65 -8.713 -5.033 14.130 1.00 1.35 H new ATOM 986 N GLN A 66 -5.120 -3.019 16.321 1.00 42.44 N ATOM 987 CA GLN A 66 -4.034 -2.499 17.193 1.00 10.00 C ATOM 988 C GLN A 66 -2.670 -3.158 16.836 1.00 61.32 C ATOM 989 O GLN A 66 -2.646 -4.286 16.321 1.00 60.15 O ATOM 990 CB GLN A 66 -4.367 -2.751 18.702 1.00 31.14 C ATOM 991 CG GLN A 66 -5.669 -2.095 19.236 1.00 62.12 C ATOM 992 CD GLN A 66 -6.975 -2.733 18.731 1.00 31.04 C ATOM 993 OE1 GLN A 66 -7.036 -3.918 18.429 1.00 1.11 O ATOM 994 NE2 GLN A 66 -8.035 -1.956 18.664 1.00 71.44 N ATOM 0 H GLN A 66 -5.577 -3.854 16.689 1.00 42.44 H new ATOM 0 HA GLN A 66 -3.957 -1.425 17.023 1.00 10.00 H new ATOM 0 HB2 GLN A 66 -4.435 -3.827 18.863 1.00 31.14 H new ATOM 0 HB3 GLN A 66 -3.531 -2.391 19.302 1.00 31.14 H new ATOM 0 HG2 GLN A 66 -5.659 -2.138 20.325 1.00 62.12 H new ATOM 0 HG3 GLN A 66 -5.667 -1.041 18.959 1.00 62.12 H new ATOM 0 HE21 GLN A 66 -7.963 -0.971 18.920 1.00 71.44 H new ATOM 0 HE22 GLN A 66 -8.929 -2.338 18.356 1.00 71.44 H new ATOM 1003 N PRO A 67 -1.510 -2.450 17.071 1.00 40.31 N ATOM 1004 CA PRO A 67 -0.161 -3.067 16.947 1.00 2.13 C ATOM 1005 C PRO A 67 -0.002 -4.332 17.847 1.00 0.04 C ATOM 1006 O PRO A 67 -0.143 -4.258 19.066 1.00 74.11 O ATOM 1007 CB PRO A 67 0.803 -1.922 17.381 1.00 11.34 C ATOM 1008 CG PRO A 67 0.028 -0.661 17.126 1.00 42.51 C ATOM 1009 CD PRO A 67 -1.417 -1.003 17.424 1.00 3.10 C ATOM 0 HA PRO A 67 0.039 -3.431 15.939 1.00 2.13 H new ATOM 0 HB2 PRO A 67 1.079 -2.013 18.432 1.00 11.34 H new ATOM 0 HB3 PRO A 67 1.728 -1.943 16.805 1.00 11.34 H new ATOM 0 HG2 PRO A 67 0.378 0.150 17.764 1.00 42.51 H new ATOM 0 HG3 PRO A 67 0.148 -0.329 16.095 1.00 42.51 H new ATOM 0 HD2 PRO A 67 -1.663 -0.828 18.471 1.00 3.10 H new ATOM 0 HD3 PRO A 67 -2.103 -0.400 16.830 1.00 3.10 H new ATOM 1017 N GLY A 68 0.282 -5.477 17.211 1.00 63.10 N ATOM 1018 CA GLY A 68 0.409 -6.776 17.900 1.00 43.01 C ATOM 1019 C GLY A 68 -0.662 -7.809 17.512 1.00 11.44 C ATOM 1020 O GLY A 68 -0.483 -9.004 17.782 1.00 61.04 O ATOM 0 H GLY A 68 0.431 -5.532 16.203 1.00 63.10 H new ATOM 0 HA2 GLY A 68 1.393 -7.193 17.685 1.00 43.01 H new ATOM 0 HA3 GLY A 68 0.362 -6.609 18.976 1.00 43.01 H new ATOM 1024 N ASP A 69 -1.783 -7.371 16.902 1.00 73.42 N ATOM 1025 CA ASP A 69 -2.837 -8.306 16.413 1.00 52.21 C ATOM 1026 C ASP A 69 -2.378 -9.085 15.156 1.00 43.04 C ATOM 1027 O ASP A 69 -1.513 -8.628 14.412 1.00 4.40 O ATOM 1028 CB ASP A 69 -4.161 -7.549 16.115 1.00 21.11 C ATOM 1029 CG ASP A 69 -4.884 -7.102 17.397 1.00 52.03 C ATOM 1030 OD1 ASP A 69 -5.618 -7.922 17.994 1.00 52.45 O ATOM 1031 OD2 ASP A 69 -4.709 -5.953 17.833 1.00 12.21 O ATOM 0 H ASP A 69 -1.988 -6.386 16.734 1.00 73.42 H new ATOM 0 HA ASP A 69 -3.015 -9.027 17.211 1.00 52.21 H new ATOM 0 HB2 ASP A 69 -3.946 -6.676 15.499 1.00 21.11 H new ATOM 0 HB3 ASP A 69 -4.822 -8.193 15.535 1.00 21.11 H new ATOM 1036 N GLN A 70 -2.966 -10.279 14.942 1.00 5.25 N ATOM 1037 CA GLN A 70 -2.695 -11.117 13.749 1.00 14.35 C ATOM 1038 C GLN A 70 -3.995 -11.369 12.947 1.00 74.43 C ATOM 1039 O GLN A 70 -5.048 -11.653 13.520 1.00 24.32 O ATOM 1040 CB GLN A 70 -2.015 -12.457 14.154 1.00 73.14 C ATOM 1041 CG GLN A 70 -0.626 -12.285 14.814 1.00 12.32 C ATOM 1042 CD GLN A 70 0.097 -13.607 15.108 1.00 53.23 C ATOM 1043 OE1 GLN A 70 -0.523 -14.635 15.367 1.00 3.44 O ATOM 1044 NE2 GLN A 70 1.416 -13.583 15.076 1.00 51.24 N ATOM 0 H GLN A 70 -3.640 -10.691 15.587 1.00 5.25 H new ATOM 0 HA GLN A 70 -2.004 -10.575 13.103 1.00 14.35 H new ATOM 0 HB2 GLN A 70 -2.669 -12.991 14.843 1.00 73.14 H new ATOM 0 HB3 GLN A 70 -1.909 -13.081 13.267 1.00 73.14 H new ATOM 0 HG2 GLN A 70 0.001 -11.678 14.162 1.00 12.32 H new ATOM 0 HG3 GLN A 70 -0.745 -11.733 15.746 1.00 12.32 H new ATOM 0 HE21 GLN A 70 1.905 -12.715 14.858 1.00 51.24 H new ATOM 0 HE22 GLN A 70 1.946 -14.433 15.269 1.00 51.24 H new ATOM 1053 N VAL A 71 -3.887 -11.262 11.611 1.00 64.44 N ATOM 1054 CA VAL A 71 -5.027 -11.264 10.668 1.00 32.33 C ATOM 1055 C VAL A 71 -4.783 -12.220 9.468 1.00 24.43 C ATOM 1056 O VAL A 71 -3.687 -12.765 9.304 1.00 53.20 O ATOM 1057 CB VAL A 71 -5.285 -9.801 10.129 1.00 44.11 C ATOM 1058 CG1 VAL A 71 -5.676 -8.833 11.276 1.00 70.31 C ATOM 1059 CG2 VAL A 71 -4.054 -9.259 9.340 1.00 74.22 C ATOM 0 H VAL A 71 -2.985 -11.169 11.143 1.00 64.44 H new ATOM 0 HA VAL A 71 -5.901 -11.621 11.213 1.00 32.33 H new ATOM 0 HB VAL A 71 -6.127 -9.856 9.439 1.00 44.11 H new ATOM 0 HG11 VAL A 71 -5.846 -7.836 10.869 1.00 70.31 H new ATOM 0 HG12 VAL A 71 -6.587 -9.188 11.757 1.00 70.31 H new ATOM 0 HG13 VAL A 71 -4.870 -8.793 12.009 1.00 70.31 H new ATOM 0 HG21 VAL A 71 -4.265 -8.251 8.984 1.00 74.22 H new ATOM 0 HG22 VAL A 71 -3.183 -9.237 9.995 1.00 74.22 H new ATOM 0 HG23 VAL A 71 -3.852 -9.910 8.489 1.00 74.22 H new ATOM 1069 N ILE A 72 -5.828 -12.414 8.636 1.00 53.43 N ATOM 1070 CA ILE A 72 -5.750 -13.170 7.355 1.00 14.54 C ATOM 1071 C ILE A 72 -6.031 -12.215 6.165 1.00 2.01 C ATOM 1072 O ILE A 72 -6.918 -11.351 6.239 1.00 0.24 O ATOM 1073 CB ILE A 72 -6.771 -14.383 7.334 1.00 11.23 C ATOM 1074 CG1 ILE A 72 -6.473 -15.385 8.501 1.00 73.50 C ATOM 1075 CG2 ILE A 72 -6.787 -15.122 5.961 1.00 1.22 C ATOM 1076 CD1 ILE A 72 -5.093 -16.040 8.462 1.00 42.24 C ATOM 0 H ILE A 72 -6.761 -12.050 8.831 1.00 53.43 H new ATOM 0 HA ILE A 72 -4.744 -13.580 7.264 1.00 14.54 H new ATOM 0 HB ILE A 72 -7.766 -13.962 7.482 1.00 11.23 H new ATOM 0 HG12 ILE A 72 -6.580 -14.856 9.448 1.00 73.50 H new ATOM 0 HG13 ILE A 72 -7.230 -16.169 8.487 1.00 73.50 H new ATOM 0 HG21 ILE A 72 -7.502 -15.944 5.999 1.00 1.22 H new ATOM 0 HG22 ILE A 72 -7.077 -14.424 5.176 1.00 1.22 H new ATOM 0 HG23 ILE A 72 -5.793 -15.515 5.748 1.00 1.22 H new ATOM 0 HD11 ILE A 72 -4.986 -16.715 9.311 1.00 42.24 H new ATOM 0 HD12 ILE A 72 -4.984 -16.603 7.535 1.00 42.24 H new ATOM 0 HD13 ILE A 72 -4.323 -15.270 8.511 1.00 42.24 H new ATOM 1088 N LEU A 73 -5.256 -12.373 5.079 1.00 20.12 N ATOM 1089 CA LEU A 73 -5.354 -11.523 3.869 1.00 62.04 C ATOM 1090 C LEU A 73 -6.205 -12.200 2.764 1.00 33.42 C ATOM 1091 O LEU A 73 -5.857 -13.280 2.277 1.00 50.04 O ATOM 1092 CB LEU A 73 -3.925 -11.227 3.352 1.00 15.12 C ATOM 1093 CG LEU A 73 -2.957 -10.572 4.394 1.00 42.35 C ATOM 1094 CD1 LEU A 73 -1.538 -10.434 3.817 1.00 74.42 C ATOM 1095 CD2 LEU A 73 -3.500 -9.205 4.896 1.00 14.25 C ATOM 0 H LEU A 73 -4.539 -13.095 5.010 1.00 20.12 H new ATOM 0 HA LEU A 73 -5.855 -10.591 4.131 1.00 62.04 H new ATOM 0 HB2 LEU A 73 -3.481 -12.161 3.006 1.00 15.12 H new ATOM 0 HB3 LEU A 73 -3.999 -10.569 2.486 1.00 15.12 H new ATOM 0 HG LEU A 73 -2.903 -11.235 5.258 1.00 42.35 H new ATOM 0 HD11 LEU A 73 -0.886 -9.976 4.561 1.00 74.42 H new ATOM 0 HD12 LEU A 73 -1.154 -11.420 3.555 1.00 74.42 H new ATOM 0 HD13 LEU A 73 -1.567 -9.808 2.925 1.00 74.42 H new ATOM 0 HD21 LEU A 73 -2.803 -8.779 5.618 1.00 14.25 H new ATOM 0 HD22 LEU A 73 -3.609 -8.524 4.052 1.00 14.25 H new ATOM 0 HD23 LEU A 73 -4.470 -9.351 5.371 1.00 14.25 H new ATOM 1107 N GLU A 74 -7.329 -11.557 2.385 1.00 20.43 N ATOM 1108 CA GLU A 74 -8.210 -12.037 1.286 1.00 51.34 C ATOM 1109 C GLU A 74 -7.695 -11.621 -0.109 1.00 25.51 C ATOM 1110 O GLU A 74 -8.046 -12.244 -1.116 1.00 3.03 O ATOM 1111 CB GLU A 74 -9.662 -11.525 1.497 1.00 33.22 C ATOM 1112 CG GLU A 74 -10.350 -12.088 2.757 1.00 72.41 C ATOM 1113 CD GLU A 74 -10.435 -13.630 2.774 1.00 2.33 C ATOM 1114 OE1 GLU A 74 -11.323 -14.193 2.095 1.00 55.23 O ATOM 1115 OE2 GLU A 74 -9.605 -14.290 3.448 1.00 72.21 O ATOM 0 H GLU A 74 -7.655 -10.696 2.825 1.00 20.43 H new ATOM 0 HA GLU A 74 -8.200 -13.126 1.320 1.00 51.34 H new ATOM 0 HB2 GLU A 74 -9.647 -10.437 1.560 1.00 33.22 H new ATOM 0 HB3 GLU A 74 -10.259 -11.786 0.623 1.00 33.22 H new ATOM 0 HG2 GLU A 74 -9.806 -11.752 3.640 1.00 72.41 H new ATOM 0 HG3 GLU A 74 -11.356 -11.676 2.827 1.00 72.41 H new ATOM 1122 N ALA A 75 -6.875 -10.559 -0.165 1.00 35.14 N ATOM 1123 CA ALA A 75 -6.264 -10.074 -1.425 1.00 71.05 C ATOM 1124 C ALA A 75 -4.773 -10.453 -1.511 1.00 23.40 C ATOM 1125 O ALA A 75 -4.178 -10.930 -0.532 1.00 41.11 O ATOM 1126 CB ALA A 75 -6.431 -8.556 -1.533 1.00 22.02 C ATOM 0 H ALA A 75 -6.614 -10.011 0.655 1.00 35.14 H new ATOM 0 HA ALA A 75 -6.777 -10.555 -2.258 1.00 71.05 H new ATOM 0 HB1 ALA A 75 -5.980 -8.205 -2.461 1.00 22.02 H new ATOM 0 HB2 ALA A 75 -7.492 -8.305 -1.528 1.00 22.02 H new ATOM 0 HB3 ALA A 75 -5.940 -8.075 -0.687 1.00 22.02 H new ATOM 1132 N SER A 76 -4.169 -10.204 -2.684 1.00 23.15 N ATOM 1133 CA SER A 76 -2.746 -10.509 -2.941 1.00 43.11 C ATOM 1134 C SER A 76 -2.051 -9.362 -3.704 1.00 25.53 C ATOM 1135 O SER A 76 -2.534 -8.923 -4.753 1.00 31.02 O ATOM 1136 CB SER A 76 -2.631 -11.813 -3.768 1.00 23.52 C ATOM 1137 OG SER A 76 -1.284 -12.066 -4.137 1.00 20.22 O ATOM 0 H SER A 76 -4.649 -9.787 -3.481 1.00 23.15 H new ATOM 0 HA SER A 76 -2.252 -10.630 -1.977 1.00 43.11 H new ATOM 0 HB2 SER A 76 -3.016 -12.651 -3.187 1.00 23.52 H new ATOM 0 HB3 SER A 76 -3.248 -11.735 -4.663 1.00 23.52 H new ATOM 0 HG SER A 76 -0.847 -12.596 -3.438 1.00 20.22 H new ATOM 1143 N HIS A 77 -0.923 -8.857 -3.157 1.00 74.12 N ATOM 1144 CA HIS A 77 0.038 -8.013 -3.901 1.00 11.53 C ATOM 1145 C HIS A 77 1.171 -8.877 -4.527 1.00 13.02 C ATOM 1146 O HIS A 77 1.842 -8.438 -5.470 1.00 33.44 O ATOM 1147 CB HIS A 77 0.655 -6.952 -2.941 1.00 51.04 C ATOM 1148 CG HIS A 77 -0.324 -5.956 -2.341 1.00 64.05 C ATOM 1149 ND1 HIS A 77 0.125 -4.913 -1.568 1.00 54.41 N ATOM 1150 CD2 HIS A 77 -1.681 -5.875 -2.432 1.00 1.31 C ATOM 1151 CE1 HIS A 77 -0.945 -4.230 -1.211 1.00 54.53 C ATOM 1152 NE2 HIS A 77 -2.058 -4.775 -1.708 1.00 12.44 N ATOM 0 H HIS A 77 -0.653 -9.023 -2.187 1.00 74.12 H new ATOM 0 HA HIS A 77 -0.496 -7.512 -4.708 1.00 11.53 H new ATOM 0 HB2 HIS A 77 1.158 -7.474 -2.127 1.00 51.04 H new ATOM 0 HB3 HIS A 77 1.420 -6.398 -3.485 1.00 51.04 H new ATOM 0 HD2 HIS A 77 -2.333 -6.547 -2.970 1.00 1.31 H new ATOM 0 HE1 HIS A 77 -0.924 -3.343 -0.595 1.00 54.53 H new ATOM 0 HE2 HIS A 77 -3.011 -4.436 -1.574 1.00 12.44 H new ATOM 1160 N MET A 78 1.371 -10.103 -3.992 1.00 50.15 N ATOM 1161 CA MET A 78 2.452 -11.022 -4.438 1.00 24.55 C ATOM 1162 C MET A 78 2.061 -12.503 -4.229 1.00 12.22 C ATOM 1163 O MET A 78 1.196 -12.818 -3.409 1.00 51.13 O ATOM 1164 CB MET A 78 3.783 -10.716 -3.686 1.00 54.35 C ATOM 1165 CG MET A 78 3.743 -10.938 -2.163 1.00 54.02 C ATOM 1166 SD MET A 78 5.346 -10.646 -1.372 1.00 31.43 S ATOM 1167 CE MET A 78 5.565 -8.877 -1.591 1.00 10.34 C ATOM 0 H MET A 78 0.793 -10.485 -3.243 1.00 50.15 H new ATOM 0 HA MET A 78 2.599 -10.855 -5.505 1.00 24.55 H new ATOM 0 HB2 MET A 78 4.571 -11.340 -4.107 1.00 54.35 H new ATOM 0 HB3 MET A 78 4.060 -9.680 -3.879 1.00 54.35 H new ATOM 0 HG2 MET A 78 2.999 -10.274 -1.723 1.00 54.02 H new ATOM 0 HG3 MET A 78 3.421 -11.959 -1.957 1.00 54.02 H new ATOM 0 HE1 MET A 78 6.014 -8.452 -0.693 1.00 10.34 H new ATOM 0 HE2 MET A 78 6.218 -8.694 -2.444 1.00 10.34 H new ATOM 0 HE3 MET A 78 4.596 -8.410 -1.769 1.00 10.34 H new ATOM 1177 N LYS A 79 2.723 -13.409 -4.969 1.00 52.23 N ATOM 1178 CA LYS A 79 2.549 -14.869 -4.817 1.00 72.32 C ATOM 1179 C LYS A 79 3.087 -15.331 -3.434 1.00 2.14 C ATOM 1180 O LYS A 79 4.294 -15.533 -3.254 1.00 65.35 O ATOM 1181 CB LYS A 79 3.266 -15.597 -5.987 1.00 21.44 C ATOM 1182 CG LYS A 79 3.130 -17.138 -5.998 1.00 53.21 C ATOM 1183 CD LYS A 79 3.831 -17.792 -7.219 1.00 43.01 C ATOM 1184 CE LYS A 79 5.335 -17.454 -7.297 1.00 42.44 C ATOM 1185 NZ LYS A 79 6.002 -18.097 -8.454 1.00 74.45 N ATOM 0 H LYS A 79 3.396 -13.152 -5.691 1.00 52.23 H new ATOM 0 HA LYS A 79 1.490 -15.123 -4.856 1.00 72.32 H new ATOM 0 HB2 LYS A 79 2.875 -15.209 -6.927 1.00 21.44 H new ATOM 0 HB3 LYS A 79 4.326 -15.344 -5.954 1.00 21.44 H new ATOM 0 HG2 LYS A 79 3.556 -17.543 -5.080 1.00 53.21 H new ATOM 0 HG3 LYS A 79 2.073 -17.405 -6.004 1.00 53.21 H new ATOM 0 HD2 LYS A 79 3.709 -18.874 -7.166 1.00 43.01 H new ATOM 0 HD3 LYS A 79 3.341 -17.460 -8.134 1.00 43.01 H new ATOM 0 HE2 LYS A 79 5.458 -16.373 -7.365 1.00 42.44 H new ATOM 0 HE3 LYS A 79 5.824 -17.773 -6.377 1.00 42.44 H new ATOM 0 HZ1 LYS A 79 7.009 -17.839 -8.461 1.00 74.45 H new ATOM 0 HZ2 LYS A 79 5.910 -19.130 -8.378 1.00 74.45 H new ATOM 0 HZ3 LYS A 79 5.555 -17.774 -9.336 1.00 74.45 H new ATOM 1199 N GLY A 80 2.171 -15.443 -2.456 1.00 50.11 N ATOM 1200 CA GLY A 80 2.525 -15.719 -1.051 1.00 64.32 C ATOM 1201 C GLY A 80 1.770 -14.833 -0.047 1.00 1.43 C ATOM 1202 O GLY A 80 1.786 -15.102 1.159 1.00 23.44 O ATOM 0 H GLY A 80 1.168 -15.345 -2.615 1.00 50.11 H new ATOM 0 HA2 GLY A 80 2.316 -16.766 -0.830 1.00 64.32 H new ATOM 0 HA3 GLY A 80 3.597 -15.573 -0.919 1.00 64.32 H new ATOM 1206 N MET A 81 1.109 -13.780 -0.561 1.00 24.34 N ATOM 1207 CA MET A 81 0.373 -12.779 0.246 1.00 1.33 C ATOM 1208 C MET A 81 -0.988 -13.335 0.759 1.00 54.43 C ATOM 1209 O MET A 81 -1.231 -13.406 1.970 1.00 31.42 O ATOM 1210 CB MET A 81 0.150 -11.522 -0.641 1.00 44.34 C ATOM 1211 CG MET A 81 -0.506 -10.316 0.040 1.00 40.23 C ATOM 1212 SD MET A 81 0.572 -9.534 1.248 1.00 52.32 S ATOM 1213 CE MET A 81 -0.205 -7.934 1.451 1.00 41.13 C ATOM 0 H MET A 81 1.068 -13.594 -1.563 1.00 24.34 H new ATOM 0 HA MET A 81 0.959 -12.527 1.130 1.00 1.33 H new ATOM 0 HB2 MET A 81 1.116 -11.207 -1.037 1.00 44.34 H new ATOM 0 HB3 MET A 81 -0.466 -11.810 -1.493 1.00 44.34 H new ATOM 0 HG2 MET A 81 -0.788 -9.585 -0.717 1.00 40.23 H new ATOM 0 HG3 MET A 81 -1.425 -10.636 0.532 1.00 40.23 H new ATOM 0 HE1 MET A 81 0.076 -7.513 2.416 1.00 41.13 H new ATOM 0 HE2 MET A 81 0.123 -7.266 0.654 1.00 41.13 H new ATOM 0 HE3 MET A 81 -1.288 -8.047 1.406 1.00 41.13 H new ATOM 1223 N LYS A 82 -1.863 -13.730 -0.193 1.00 51.34 N ATOM 1224 CA LYS A 82 -3.240 -14.205 0.098 1.00 2.15 C ATOM 1225 C LYS A 82 -3.247 -15.558 0.859 1.00 4.25 C ATOM 1226 O LYS A 82 -2.557 -16.504 0.467 1.00 54.02 O ATOM 1227 CB LYS A 82 -4.047 -14.337 -1.223 1.00 23.12 C ATOM 1228 CG LYS A 82 -5.520 -14.771 -1.038 1.00 42.10 C ATOM 1229 CD LYS A 82 -6.272 -14.962 -2.376 1.00 20.33 C ATOM 1230 CE LYS A 82 -7.720 -15.451 -2.171 1.00 13.12 C ATOM 1231 NZ LYS A 82 -7.788 -16.733 -1.414 1.00 31.32 N ATOM 0 H LYS A 82 -1.636 -13.729 -1.187 1.00 51.34 H new ATOM 0 HA LYS A 82 -3.709 -13.464 0.745 1.00 2.15 H new ATOM 0 HB2 LYS A 82 -4.027 -13.379 -1.743 1.00 23.12 H new ATOM 0 HB3 LYS A 82 -3.547 -15.060 -1.868 1.00 23.12 H new ATOM 0 HG2 LYS A 82 -5.549 -15.704 -0.476 1.00 42.10 H new ATOM 0 HG3 LYS A 82 -6.040 -14.023 -0.440 1.00 42.10 H new ATOM 0 HD2 LYS A 82 -6.284 -14.018 -2.921 1.00 20.33 H new ATOM 0 HD3 LYS A 82 -5.733 -15.680 -2.994 1.00 20.33 H new ATOM 0 HE2 LYS A 82 -8.286 -14.687 -1.637 1.00 13.12 H new ATOM 0 HE3 LYS A 82 -8.197 -15.581 -3.142 1.00 13.12 H new ATOM 0 HZ1 LYS A 82 -8.754 -17.114 -1.463 1.00 31.32 H new ATOM 0 HZ2 LYS A 82 -7.125 -17.417 -1.830 1.00 31.32 H new ATOM 0 HZ3 LYS A 82 -7.532 -16.563 -0.420 1.00 31.32 H new ATOM 1245 N GLY A 83 -4.028 -15.625 1.954 1.00 1.35 N ATOM 1246 CA GLY A 83 -4.190 -16.863 2.735 1.00 42.52 C ATOM 1247 C GLY A 83 -3.205 -16.984 3.900 1.00 44.00 C ATOM 1248 O GLY A 83 -3.494 -17.659 4.896 1.00 65.31 O ATOM 0 H GLY A 83 -4.558 -14.833 2.317 1.00 1.35 H new ATOM 0 HA2 GLY A 83 -5.207 -16.907 3.124 1.00 42.52 H new ATOM 0 HA3 GLY A 83 -4.064 -17.720 2.073 1.00 42.52 H new ATOM 1252 N ALA A 84 -2.037 -16.326 3.770 1.00 53.32 N ATOM 1253 CA ALA A 84 -0.989 -16.321 4.809 1.00 20.34 C ATOM 1254 C ALA A 84 -1.424 -15.528 6.064 1.00 72.14 C ATOM 1255 O ALA A 84 -2.291 -14.643 5.994 1.00 52.54 O ATOM 1256 CB ALA A 84 0.321 -15.747 4.234 1.00 31.35 C ATOM 0 H ALA A 84 -1.793 -15.783 2.942 1.00 53.32 H new ATOM 0 HA ALA A 84 -0.823 -17.352 5.120 1.00 20.34 H new ATOM 0 HB1 ALA A 84 1.089 -15.747 5.008 1.00 31.35 H new ATOM 0 HB2 ALA A 84 0.650 -16.361 3.396 1.00 31.35 H new ATOM 0 HB3 ALA A 84 0.151 -14.726 3.891 1.00 31.35 H new ATOM 1262 N THR A 85 -0.797 -15.850 7.208 1.00 62.34 N ATOM 1263 CA THR A 85 -1.051 -15.145 8.479 1.00 42.11 C ATOM 1264 C THR A 85 -0.174 -13.880 8.532 1.00 42.23 C ATOM 1265 O THR A 85 1.062 -13.970 8.528 1.00 40.14 O ATOM 1266 CB THR A 85 -0.765 -16.044 9.736 1.00 14.32 C ATOM 1267 OG1 THR A 85 -1.521 -17.266 9.645 1.00 54.34 O ATOM 1268 CG2 THR A 85 -1.125 -15.323 11.059 1.00 10.44 C ATOM 0 H THR A 85 -0.107 -16.598 7.280 1.00 62.34 H new ATOM 0 HA THR A 85 -2.109 -14.883 8.510 1.00 42.11 H new ATOM 0 HB THR A 85 0.304 -16.259 9.746 1.00 14.32 H new ATOM 0 HG1 THR A 85 -1.338 -17.823 10.430 1.00 54.34 H new ATOM 0 HG21 THR A 85 -0.911 -15.981 11.902 1.00 10.44 H new ATOM 0 HG22 THR A 85 -0.533 -14.413 11.150 1.00 10.44 H new ATOM 0 HG23 THR A 85 -2.185 -15.068 11.058 1.00 10.44 H new ATOM 1276 N ALA A 86 -0.825 -12.710 8.561 1.00 34.34 N ATOM 1277 CA ALA A 86 -0.153 -11.402 8.659 1.00 64.22 C ATOM 1278 C ALA A 86 -0.225 -10.901 10.106 1.00 35.01 C ATOM 1279 O ALA A 86 -1.138 -11.250 10.835 1.00 53.43 O ATOM 1280 CB ALA A 86 -0.798 -10.394 7.694 1.00 70.13 C ATOM 0 H ALA A 86 -1.842 -12.641 8.517 1.00 34.34 H new ATOM 0 HA ALA A 86 0.894 -11.510 8.376 1.00 64.22 H new ATOM 0 HB1 ALA A 86 -0.290 -9.433 7.779 1.00 70.13 H new ATOM 0 HB2 ALA A 86 -0.711 -10.762 6.672 1.00 70.13 H new ATOM 0 HB3 ALA A 86 -1.851 -10.271 7.947 1.00 70.13 H new ATOM 1286 N GLU A 87 0.758 -10.116 10.528 1.00 41.23 N ATOM 1287 CA GLU A 87 0.783 -9.506 11.870 1.00 31.51 C ATOM 1288 C GLU A 87 0.787 -7.977 11.737 1.00 33.23 C ATOM 1289 O GLU A 87 1.701 -7.414 11.134 1.00 22.51 O ATOM 1290 CB GLU A 87 2.028 -9.999 12.661 1.00 32.31 C ATOM 1291 CG GLU A 87 2.101 -9.512 14.125 1.00 71.31 C ATOM 1292 CD GLU A 87 3.336 -10.051 14.873 1.00 54.14 C ATOM 1293 OE1 GLU A 87 3.264 -11.163 15.448 1.00 51.30 O ATOM 1294 OE2 GLU A 87 4.383 -9.370 14.880 1.00 24.45 O ATOM 0 H GLU A 87 1.567 -9.878 9.955 1.00 41.23 H new ATOM 0 HA GLU A 87 -0.107 -9.807 12.423 1.00 31.51 H new ATOM 0 HB2 GLU A 87 2.036 -11.089 12.655 1.00 32.31 H new ATOM 0 HB3 GLU A 87 2.926 -9.670 12.138 1.00 32.31 H new ATOM 0 HG2 GLU A 87 2.120 -8.422 14.140 1.00 71.31 H new ATOM 0 HG3 GLU A 87 1.199 -9.823 14.652 1.00 71.31 H new ATOM 1301 N ILE A 88 -0.256 -7.321 12.277 1.00 72.33 N ATOM 1302 CA ILE A 88 -0.348 -5.849 12.318 1.00 22.40 C ATOM 1303 C ILE A 88 0.845 -5.269 13.118 1.00 1.13 C ATOM 1304 O ILE A 88 0.853 -5.284 14.349 1.00 42.25 O ATOM 1305 CB ILE A 88 -1.719 -5.363 12.950 1.00 13.41 C ATOM 1306 CG1 ILE A 88 -2.941 -6.006 12.213 1.00 74.24 C ATOM 1307 CG2 ILE A 88 -1.833 -3.808 12.964 1.00 1.45 C ATOM 1308 CD1 ILE A 88 -3.100 -5.607 10.751 1.00 52.52 C ATOM 0 H ILE A 88 -1.057 -7.794 12.696 1.00 72.33 H new ATOM 0 HA ILE A 88 -0.311 -5.483 11.292 1.00 22.40 H new ATOM 0 HB ILE A 88 -1.732 -5.700 13.986 1.00 13.41 H new ATOM 0 HG12 ILE A 88 -2.849 -7.091 12.269 1.00 74.24 H new ATOM 0 HG13 ILE A 88 -3.851 -5.735 12.748 1.00 74.24 H new ATOM 0 HG21 ILE A 88 -2.787 -3.517 13.405 1.00 1.45 H new ATOM 0 HG22 ILE A 88 -1.018 -3.389 13.554 1.00 1.45 H new ATOM 0 HG23 ILE A 88 -1.775 -3.430 11.943 1.00 1.45 H new ATOM 0 HD11 ILE A 88 -3.974 -6.105 10.331 1.00 52.52 H new ATOM 0 HD12 ILE A 88 -3.229 -4.527 10.681 1.00 52.52 H new ATOM 0 HD13 ILE A 88 -2.211 -5.904 10.194 1.00 52.52 H new ATOM 1320 N ASP A 89 1.871 -4.810 12.387 1.00 42.40 N ATOM 1321 CA ASP A 89 3.054 -4.147 12.962 1.00 43.04 C ATOM 1322 C ASP A 89 2.637 -2.777 13.547 1.00 43.23 C ATOM 1323 O ASP A 89 3.057 -2.392 14.644 1.00 4.33 O ATOM 1324 CB ASP A 89 4.131 -3.994 11.850 1.00 42.23 C ATOM 1325 CG ASP A 89 5.401 -3.259 12.304 1.00 62.41 C ATOM 1326 OD1 ASP A 89 6.264 -3.889 12.945 1.00 22.03 O ATOM 1327 OD2 ASP A 89 5.545 -2.047 12.024 1.00 42.44 O ATOM 0 H ASP A 89 1.905 -4.888 11.371 1.00 42.40 H new ATOM 0 HA ASP A 89 3.478 -4.741 13.772 1.00 43.04 H new ATOM 0 HB2 ASP A 89 4.407 -4.984 11.488 1.00 42.23 H new ATOM 0 HB3 ASP A 89 3.695 -3.457 11.008 1.00 42.23 H new ATOM 1332 N SER A 90 1.746 -2.092 12.812 1.00 71.21 N ATOM 1333 CA SER A 90 1.218 -0.765 13.187 1.00 13.31 C ATOM 1334 C SER A 90 -0.059 -0.444 12.380 1.00 11.21 C ATOM 1335 O SER A 90 -0.342 -1.082 11.362 1.00 44.45 O ATOM 1336 CB SER A 90 2.281 0.345 12.973 1.00 63.13 C ATOM 1337 OG SER A 90 1.826 1.593 13.471 1.00 62.33 O ATOM 0 H SER A 90 1.367 -2.444 11.933 1.00 71.21 H new ATOM 0 HA SER A 90 0.968 -0.793 14.248 1.00 13.31 H new ATOM 0 HB2 SER A 90 3.208 0.066 13.474 1.00 63.13 H new ATOM 0 HB3 SER A 90 2.508 0.435 11.911 1.00 63.13 H new ATOM 0 HG SER A 90 2.515 2.274 13.325 1.00 62.33 H new ATOM 1343 N ALA A 91 -0.826 0.546 12.853 1.00 71.23 N ATOM 1344 CA ALA A 91 -2.056 1.023 12.182 1.00 73.24 C ATOM 1345 C ALA A 91 -2.004 2.547 11.988 1.00 54.01 C ATOM 1346 O ALA A 91 -1.569 3.277 12.888 1.00 25.45 O ATOM 1347 CB ALA A 91 -3.289 0.637 13.007 1.00 42.15 C ATOM 0 H ALA A 91 -0.615 1.046 13.717 1.00 71.23 H new ATOM 0 HA ALA A 91 -2.125 0.550 11.202 1.00 73.24 H new ATOM 0 HB1 ALA A 91 -4.189 0.993 12.505 1.00 42.15 H new ATOM 0 HB2 ALA A 91 -3.334 -0.447 13.108 1.00 42.15 H new ATOM 0 HB3 ALA A 91 -3.222 1.091 13.996 1.00 42.15 H new ATOM 1353 N GLU A 92 -2.459 3.019 10.820 1.00 21.14 N ATOM 1354 CA GLU A 92 -2.473 4.452 10.479 1.00 34.15 C ATOM 1355 C GLU A 92 -3.772 4.835 9.749 1.00 74.55 C ATOM 1356 O GLU A 92 -4.104 4.264 8.707 1.00 4.41 O ATOM 1357 CB GLU A 92 -1.226 4.802 9.614 1.00 34.04 C ATOM 1358 CG GLU A 92 -1.129 6.278 9.167 1.00 1.40 C ATOM 1359 CD GLU A 92 -1.188 7.283 10.335 1.00 53.10 C ATOM 1360 OE1 GLU A 92 -0.204 7.383 11.095 1.00 3.04 O ATOM 1361 OE2 GLU A 92 -2.218 7.976 10.500 1.00 14.44 O ATOM 0 H GLU A 92 -2.829 2.419 10.082 1.00 21.14 H new ATOM 0 HA GLU A 92 -2.433 5.029 11.403 1.00 34.15 H new ATOM 0 HB2 GLU A 92 -0.329 4.551 10.180 1.00 34.04 H new ATOM 0 HB3 GLU A 92 -1.230 4.170 8.726 1.00 34.04 H new ATOM 0 HG2 GLU A 92 -0.197 6.423 8.621 1.00 1.40 H new ATOM 0 HG3 GLU A 92 -1.942 6.493 8.473 1.00 1.40 H new ATOM 1368 N LYS A 93 -4.490 5.834 10.293 1.00 71.15 N ATOM 1369 CA LYS A 93 -5.714 6.363 9.677 1.00 44.21 C ATOM 1370 C LYS A 93 -5.308 7.461 8.670 1.00 31.15 C ATOM 1371 O LYS A 93 -5.097 8.623 9.043 1.00 61.24 O ATOM 1372 CB LYS A 93 -6.661 6.920 10.775 1.00 62.55 C ATOM 1373 CG LYS A 93 -8.095 7.223 10.300 1.00 31.21 C ATOM 1374 CD LYS A 93 -8.845 5.946 9.864 1.00 55.21 C ATOM 1375 CE LYS A 93 -10.307 6.222 9.486 1.00 14.34 C ATOM 1376 NZ LYS A 93 -11.043 4.981 9.147 1.00 31.32 N ATOM 0 H LYS A 93 -4.237 6.294 11.168 1.00 71.15 H new ATOM 0 HA LYS A 93 -6.254 5.576 9.151 1.00 44.21 H new ATOM 0 HB2 LYS A 93 -6.709 6.201 11.593 1.00 62.55 H new ATOM 0 HB3 LYS A 93 -6.227 7.834 11.180 1.00 62.55 H new ATOM 0 HG2 LYS A 93 -8.647 7.710 11.104 1.00 31.21 H new ATOM 0 HG3 LYS A 93 -8.060 7.924 9.466 1.00 31.21 H new ATOM 0 HD2 LYS A 93 -8.331 5.500 9.013 1.00 55.21 H new ATOM 0 HD3 LYS A 93 -8.814 5.216 10.673 1.00 55.21 H new ATOM 0 HE2 LYS A 93 -10.806 6.723 10.315 1.00 14.34 H new ATOM 0 HE3 LYS A 93 -10.338 6.904 8.636 1.00 14.34 H new ATOM 0 HZ1 LYS A 93 -11.493 5.088 8.216 1.00 31.32 H new ATOM 0 HZ2 LYS A 93 -10.380 4.180 9.121 1.00 31.32 H new ATOM 0 HZ3 LYS A 93 -11.773 4.803 9.866 1.00 31.32 H new ATOM 1390 N THR A 94 -5.157 7.064 7.400 1.00 24.14 N ATOM 1391 CA THR A 94 -4.575 7.913 6.335 1.00 65.55 C ATOM 1392 C THR A 94 -5.376 7.811 5.024 1.00 15.21 C ATOM 1393 O THR A 94 -6.048 6.806 4.771 1.00 74.45 O ATOM 1394 CB THR A 94 -3.078 7.531 6.069 1.00 4.03 C ATOM 1395 OG1 THR A 94 -2.553 8.288 4.975 1.00 25.32 O ATOM 1396 CG2 THR A 94 -2.894 6.032 5.775 1.00 13.34 C ATOM 0 H THR A 94 -5.435 6.139 7.073 1.00 24.14 H new ATOM 0 HA THR A 94 -4.624 8.943 6.687 1.00 65.55 H new ATOM 0 HB THR A 94 -2.533 7.765 6.984 1.00 4.03 H new ATOM 0 HG1 THR A 94 -1.617 8.038 4.824 1.00 25.32 H new ATOM 0 HG21 THR A 94 -1.839 5.823 5.598 1.00 13.34 H new ATOM 0 HG22 THR A 94 -3.242 5.449 6.628 1.00 13.34 H new ATOM 0 HG23 THR A 94 -3.471 5.761 4.891 1.00 13.34 H new ATOM 1404 N THR A 95 -5.300 8.854 4.182 1.00 43.30 N ATOM 1405 CA THR A 95 -5.924 8.838 2.850 1.00 24.11 C ATOM 1406 C THR A 95 -4.929 8.224 1.842 1.00 55.55 C ATOM 1407 O THR A 95 -3.789 8.690 1.718 1.00 3.14 O ATOM 1408 CB THR A 95 -6.341 10.277 2.384 1.00 13.44 C ATOM 1409 OG1 THR A 95 -7.086 10.930 3.431 1.00 22.11 O ATOM 1410 CG2 THR A 95 -7.198 10.245 1.095 1.00 54.22 C ATOM 0 H THR A 95 -4.811 9.722 4.402 1.00 43.30 H new ATOM 0 HA THR A 95 -6.833 8.238 2.900 1.00 24.11 H new ATOM 0 HB THR A 95 -5.426 10.828 2.167 1.00 13.44 H new ATOM 0 HG1 THR A 95 -7.343 11.829 3.138 1.00 22.11 H new ATOM 0 HG21 THR A 95 -7.464 11.263 0.809 1.00 54.22 H new ATOM 0 HG22 THR A 95 -6.628 9.779 0.291 1.00 54.22 H new ATOM 0 HG23 THR A 95 -8.106 9.670 1.276 1.00 54.22 H new ATOM 1418 N VAL A 96 -5.368 7.180 1.128 1.00 64.10 N ATOM 1419 CA VAL A 96 -4.531 6.414 0.188 1.00 14.33 C ATOM 1420 C VAL A 96 -5.041 6.625 -1.254 1.00 52.31 C ATOM 1421 O VAL A 96 -6.245 6.577 -1.514 1.00 54.14 O ATOM 1422 CB VAL A 96 -4.482 4.878 0.557 1.00 61.23 C ATOM 1423 CG1 VAL A 96 -3.667 4.642 1.856 1.00 14.13 C ATOM 1424 CG2 VAL A 96 -5.909 4.272 0.686 1.00 74.35 C ATOM 0 H VAL A 96 -6.327 6.837 1.186 1.00 64.10 H new ATOM 0 HA VAL A 96 -3.509 6.786 0.262 1.00 14.33 H new ATOM 0 HB VAL A 96 -3.978 4.365 -0.262 1.00 61.23 H new ATOM 0 HG11 VAL A 96 -3.650 3.577 2.086 1.00 14.13 H new ATOM 0 HG12 VAL A 96 -2.647 4.999 1.716 1.00 14.13 H new ATOM 0 HG13 VAL A 96 -4.131 5.184 2.680 1.00 14.13 H new ATOM 0 HG21 VAL A 96 -5.834 3.215 0.940 1.00 74.35 H new ATOM 0 HG22 VAL A 96 -6.457 4.796 1.469 1.00 74.35 H new ATOM 0 HG23 VAL A 96 -6.437 4.380 -0.261 1.00 74.35 H new ATOM 1434 N TYR A 97 -4.113 6.881 -2.181 1.00 54.24 N ATOM 1435 CA TYR A 97 -4.430 7.322 -3.556 1.00 64.33 C ATOM 1436 C TYR A 97 -4.069 6.265 -4.618 1.00 40.34 C ATOM 1437 O TYR A 97 -3.190 5.416 -4.420 1.00 5.42 O ATOM 1438 CB TYR A 97 -3.688 8.650 -3.859 1.00 24.44 C ATOM 1439 CG TYR A 97 -4.101 9.821 -2.944 1.00 41.42 C ATOM 1440 CD1 TYR A 97 -3.482 10.028 -1.708 1.00 55.31 C ATOM 1441 CD2 TYR A 97 -5.131 10.691 -3.306 1.00 74.44 C ATOM 1442 CE1 TYR A 97 -3.869 11.063 -0.883 1.00 44.13 C ATOM 1443 CE2 TYR A 97 -5.515 11.730 -2.480 1.00 64.42 C ATOM 1444 CZ TYR A 97 -4.886 11.910 -1.271 1.00 72.12 C ATOM 1445 OH TYR A 97 -5.267 12.951 -0.447 1.00 33.35 O ATOM 0 H TYR A 97 -3.113 6.790 -2.004 1.00 54.24 H new ATOM 0 HA TYR A 97 -5.508 7.471 -3.609 1.00 64.33 H new ATOM 0 HB2 TYR A 97 -2.615 8.486 -3.760 1.00 24.44 H new ATOM 0 HB3 TYR A 97 -3.873 8.930 -4.896 1.00 24.44 H new ATOM 0 HD1 TYR A 97 -2.688 9.367 -1.394 1.00 55.31 H new ATOM 0 HD2 TYR A 97 -5.637 10.549 -4.249 1.00 74.44 H new ATOM 0 HE1 TYR A 97 -3.376 11.210 0.067 1.00 44.13 H new ATOM 0 HE2 TYR A 97 -6.307 12.399 -2.783 1.00 64.42 H new ATOM 0 HH TYR A 97 -4.514 13.567 -0.329 1.00 33.35 H new ATOM 1455 N MET A 98 -4.774 6.353 -5.752 1.00 55.12 N ATOM 1456 CA MET A 98 -4.511 5.548 -6.956 1.00 70.12 C ATOM 1457 C MET A 98 -3.768 6.429 -7.991 1.00 10.34 C ATOM 1458 O MET A 98 -4.344 7.392 -8.502 1.00 53.22 O ATOM 1459 CB MET A 98 -5.862 5.035 -7.521 1.00 22.32 C ATOM 1460 CG MET A 98 -5.730 4.126 -8.737 1.00 64.24 C ATOM 1461 SD MET A 98 -7.310 3.495 -9.352 1.00 22.34 S ATOM 1462 CE MET A 98 -8.065 4.964 -10.043 1.00 60.41 C ATOM 0 H MET A 98 -5.558 6.996 -5.863 1.00 55.12 H new ATOM 0 HA MET A 98 -3.886 4.687 -6.721 1.00 70.12 H new ATOM 0 HB2 MET A 98 -6.390 4.495 -6.735 1.00 22.32 H new ATOM 0 HB3 MET A 98 -6.479 5.893 -7.789 1.00 22.32 H new ATOM 0 HG2 MET A 98 -5.232 4.675 -9.537 1.00 64.24 H new ATOM 0 HG3 MET A 98 -5.088 3.283 -8.481 1.00 64.24 H new ATOM 0 HE1 MET A 98 -8.989 5.184 -9.509 1.00 60.41 H new ATOM 0 HE2 MET A 98 -7.380 5.806 -9.944 1.00 60.41 H new ATOM 0 HE3 MET A 98 -8.286 4.798 -11.097 1.00 60.41 H new ATOM 1472 N VAL A 99 -2.482 6.113 -8.277 1.00 61.12 N ATOM 1473 CA VAL A 99 -1.605 6.972 -9.125 1.00 4.33 C ATOM 1474 C VAL A 99 -1.059 6.231 -10.373 1.00 32.32 C ATOM 1475 O VAL A 99 -0.838 5.027 -10.344 1.00 12.14 O ATOM 1476 CB VAL A 99 -0.402 7.567 -8.289 1.00 12.22 C ATOM 1477 CG1 VAL A 99 -0.905 8.570 -7.214 1.00 41.14 C ATOM 1478 CG2 VAL A 99 0.453 6.436 -7.646 1.00 23.23 C ATOM 0 H VAL A 99 -2.024 5.269 -7.934 1.00 61.12 H new ATOM 0 HA VAL A 99 -2.237 7.787 -9.477 1.00 4.33 H new ATOM 0 HB VAL A 99 0.239 8.115 -8.979 1.00 12.22 H new ATOM 0 HG11 VAL A 99 -0.055 8.962 -6.656 1.00 41.14 H new ATOM 0 HG12 VAL A 99 -1.430 9.392 -7.701 1.00 41.14 H new ATOM 0 HG13 VAL A 99 -1.584 8.060 -6.530 1.00 41.14 H new ATOM 0 HG21 VAL A 99 1.272 6.877 -7.078 1.00 23.23 H new ATOM 0 HG22 VAL A 99 -0.172 5.842 -6.979 1.00 23.23 H new ATOM 0 HG23 VAL A 99 0.858 5.796 -8.430 1.00 23.23 H new ATOM 1488 N ASP A 100 -0.850 6.978 -11.478 1.00 65.21 N ATOM 1489 CA ASP A 100 -0.270 6.444 -12.744 1.00 23.00 C ATOM 1490 C ASP A 100 1.147 7.025 -12.946 1.00 53.03 C ATOM 1491 O ASP A 100 1.293 8.248 -12.998 1.00 44.31 O ATOM 1492 CB ASP A 100 -1.163 6.844 -13.958 1.00 43.01 C ATOM 1493 CG ASP A 100 -2.662 6.725 -13.664 1.00 21.00 C ATOM 1494 OD1 ASP A 100 -3.226 7.669 -13.081 1.00 43.44 O ATOM 1495 OD2 ASP A 100 -3.280 5.702 -14.010 1.00 74.24 O ATOM 0 H ASP A 100 -1.077 7.971 -11.525 1.00 65.21 H new ATOM 0 HA ASP A 100 -0.221 5.357 -12.678 1.00 23.00 H new ATOM 0 HB2 ASP A 100 -0.935 7.870 -14.247 1.00 43.01 H new ATOM 0 HB3 ASP A 100 -0.914 6.211 -14.809 1.00 43.01 H new ATOM 1500 N TYR A 101 2.179 6.173 -13.078 1.00 43.53 N ATOM 1501 CA TYR A 101 3.585 6.630 -13.240 1.00 5.15 C ATOM 1502 C TYR A 101 4.364 5.798 -14.289 1.00 62.21 C ATOM 1503 O TYR A 101 3.924 4.728 -14.723 1.00 3.12 O ATOM 1504 CB TYR A 101 4.327 6.599 -11.861 1.00 20.41 C ATOM 1505 CG TYR A 101 4.576 5.193 -11.272 1.00 35.13 C ATOM 1506 CD1 TYR A 101 3.600 4.536 -10.519 1.00 23.20 C ATOM 1507 CD2 TYR A 101 5.790 4.522 -11.477 1.00 63.23 C ATOM 1508 CE1 TYR A 101 3.828 3.274 -10.001 1.00 32.11 C ATOM 1509 CE2 TYR A 101 6.014 3.261 -10.958 1.00 24.02 C ATOM 1510 CZ TYR A 101 5.029 2.640 -10.221 1.00 21.30 C ATOM 1511 OH TYR A 101 5.244 1.377 -9.704 1.00 23.24 O ATOM 0 H TYR A 101 2.072 5.159 -13.077 1.00 43.53 H new ATOM 0 HA TYR A 101 3.548 7.655 -13.610 1.00 5.15 H new ATOM 0 HB2 TYR A 101 5.287 7.102 -11.973 1.00 20.41 H new ATOM 0 HB3 TYR A 101 3.746 7.177 -11.142 1.00 20.41 H new ATOM 0 HD1 TYR A 101 2.652 5.021 -10.338 1.00 23.20 H new ATOM 0 HD2 TYR A 101 6.567 5.001 -12.053 1.00 63.23 H new ATOM 0 HE1 TYR A 101 3.060 2.784 -9.421 1.00 32.11 H new ATOM 0 HE2 TYR A 101 6.957 2.764 -11.129 1.00 24.02 H new ATOM 0 HH TYR A 101 6.142 1.071 -9.951 1.00 23.24 H new ATOM 1521 N THR A 102 5.547 6.312 -14.671 1.00 51.51 N ATOM 1522 CA THR A 102 6.549 5.557 -15.459 1.00 25.42 C ATOM 1523 C THR A 102 7.715 5.187 -14.522 1.00 23.25 C ATOM 1524 O THR A 102 8.351 6.082 -13.952 1.00 21.22 O ATOM 1525 CB THR A 102 7.111 6.381 -16.677 1.00 71.34 C ATOM 1526 OG1 THR A 102 6.028 6.876 -17.478 1.00 34.23 O ATOM 1527 CG2 THR A 102 8.046 5.534 -17.570 1.00 72.31 C ATOM 0 H THR A 102 5.839 7.263 -14.444 1.00 51.51 H new ATOM 0 HA THR A 102 6.061 4.672 -15.868 1.00 25.42 H new ATOM 0 HB THR A 102 7.688 7.208 -16.264 1.00 71.34 H new ATOM 0 HG1 THR A 102 6.387 7.389 -18.232 1.00 34.23 H new ATOM 0 HG21 THR A 102 8.410 6.144 -18.397 1.00 72.31 H new ATOM 0 HG22 THR A 102 8.892 5.181 -16.980 1.00 72.31 H new ATOM 0 HG23 THR A 102 7.497 4.679 -17.964 1.00 72.31 H new ATOM 1535 N SER A 103 7.966 3.877 -14.334 1.00 61.42 N ATOM 1536 CA SER A 103 9.051 3.395 -13.446 1.00 32.13 C ATOM 1537 C SER A 103 10.441 3.807 -13.991 1.00 31.33 C ATOM 1538 O SER A 103 10.773 3.522 -15.141 1.00 33.35 O ATOM 1539 CB SER A 103 8.975 1.861 -13.259 1.00 32.31 C ATOM 1540 OG SER A 103 9.223 1.181 -14.475 1.00 55.44 O ATOM 0 H SER A 103 7.435 3.131 -14.783 1.00 61.42 H new ATOM 0 HA SER A 103 8.914 3.865 -12.472 1.00 32.13 H new ATOM 0 HB2 SER A 103 9.702 1.548 -12.510 1.00 32.31 H new ATOM 0 HB3 SER A 103 7.990 1.587 -12.881 1.00 32.31 H new ATOM 0 HG SER A 103 8.406 1.170 -15.016 1.00 55.44 H new ATOM 1546 N THR A 104 11.224 4.499 -13.152 1.00 44.20 N ATOM 1547 CA THR A 104 12.556 5.037 -13.512 1.00 53.11 C ATOM 1548 C THR A 104 13.614 3.926 -13.701 1.00 63.40 C ATOM 1549 O THR A 104 14.433 3.986 -14.628 1.00 15.13 O ATOM 1550 CB THR A 104 13.054 6.038 -12.418 1.00 63.53 C ATOM 1551 OG1 THR A 104 13.155 5.362 -11.145 1.00 30.21 O ATOM 1552 CG2 THR A 104 12.104 7.242 -12.277 1.00 52.12 C ATOM 0 H THR A 104 10.953 4.707 -12.191 1.00 44.20 H new ATOM 0 HA THR A 104 12.436 5.551 -14.466 1.00 53.11 H new ATOM 0 HB THR A 104 14.032 6.407 -12.727 1.00 63.53 H new ATOM 0 HG1 THR A 104 13.469 5.993 -10.464 1.00 30.21 H new ATOM 0 HG21 THR A 104 12.482 7.916 -11.508 1.00 52.12 H new ATOM 0 HG22 THR A 104 12.045 7.772 -13.227 1.00 52.12 H new ATOM 0 HG23 THR A 104 11.111 6.891 -11.996 1.00 52.12 H new ATOM 1560 N THR A 105 13.592 2.917 -12.810 1.00 10.55 N ATOM 1561 CA THR A 105 14.571 1.802 -12.826 1.00 43.52 C ATOM 1562 C THR A 105 14.228 0.752 -13.910 1.00 23.22 C ATOM 1563 O THR A 105 15.092 0.343 -14.690 1.00 22.35 O ATOM 1564 CB THR A 105 14.649 1.088 -11.428 1.00 42.54 C ATOM 1565 OG1 THR A 105 13.391 0.462 -11.114 1.00 53.42 O ATOM 1566 CG2 THR A 105 15.023 2.067 -10.295 1.00 3.11 C ATOM 0 H THR A 105 12.902 2.847 -12.062 1.00 10.55 H new ATOM 0 HA THR A 105 15.539 2.246 -13.059 1.00 43.52 H new ATOM 0 HB THR A 105 15.434 0.335 -11.500 1.00 42.54 H new ATOM 0 HG1 THR A 105 13.454 0.020 -10.242 1.00 53.42 H new ATOM 0 HG21 THR A 105 15.065 1.529 -9.348 1.00 3.11 H new ATOM 0 HG22 THR A 105 15.997 2.510 -10.504 1.00 3.11 H new ATOM 0 HG23 THR A 105 14.272 2.854 -10.232 1.00 3.11 H new ATOM 1574 N SER A 106 12.950 0.327 -13.943 1.00 33.45 N ATOM 1575 CA SER A 106 12.466 -0.740 -14.857 1.00 11.53 C ATOM 1576 C SER A 106 12.175 -0.213 -16.286 1.00 53.11 C ATOM 1577 O SER A 106 12.408 -0.923 -17.268 1.00 63.13 O ATOM 1578 CB SER A 106 11.193 -1.401 -14.262 1.00 3.23 C ATOM 1579 OG SER A 106 10.674 -2.429 -15.099 1.00 34.23 O ATOM 0 H SER A 106 12.221 0.709 -13.340 1.00 33.45 H new ATOM 0 HA SER A 106 13.262 -1.479 -14.947 1.00 11.53 H new ATOM 0 HB2 SER A 106 11.427 -1.817 -13.282 1.00 3.23 H new ATOM 0 HB3 SER A 106 10.428 -0.639 -14.110 1.00 3.23 H new ATOM 0 HG SER A 106 9.875 -2.817 -14.684 1.00 34.23 H new ATOM 1585 N GLY A 107 11.654 1.026 -16.388 1.00 32.32 N ATOM 1586 CA GLY A 107 11.205 1.591 -17.683 1.00 52.43 C ATOM 1587 C GLY A 107 9.777 1.174 -18.071 1.00 31.11 C ATOM 1588 O GLY A 107 9.279 1.539 -19.139 1.00 52.31 O ATOM 0 H GLY A 107 11.533 1.655 -15.594 1.00 32.32 H new ATOM 0 HA2 GLY A 107 11.257 2.679 -17.633 1.00 52.43 H new ATOM 0 HA3 GLY A 107 11.893 1.275 -18.467 1.00 52.43 H new ATOM 1592 N GLU A 108 9.126 0.415 -17.175 1.00 10.21 N ATOM 1593 CA GLU A 108 7.755 -0.094 -17.369 1.00 13.55 C ATOM 1594 C GLU A 108 6.701 0.981 -17.003 1.00 44.34 C ATOM 1595 O GLU A 108 6.835 1.692 -16.001 1.00 3.20 O ATOM 1596 CB GLU A 108 7.537 -1.378 -16.523 1.00 61.33 C ATOM 1597 CG GLU A 108 6.129 -2.017 -16.640 1.00 62.32 C ATOM 1598 CD GLU A 108 5.790 -2.533 -18.056 1.00 14.10 C ATOM 1599 OE1 GLU A 108 5.287 -1.740 -18.894 1.00 52.02 O ATOM 1600 OE2 GLU A 108 6.037 -3.723 -18.346 1.00 63.22 O ATOM 0 H GLU A 108 9.539 0.134 -16.286 1.00 10.21 H new ATOM 0 HA GLU A 108 7.629 -0.339 -18.424 1.00 13.55 H new ATOM 0 HB2 GLU A 108 8.280 -2.119 -16.819 1.00 61.33 H new ATOM 0 HB3 GLU A 108 7.724 -1.140 -15.476 1.00 61.33 H new ATOM 0 HG2 GLU A 108 6.057 -2.846 -15.936 1.00 62.32 H new ATOM 0 HG3 GLU A 108 5.381 -1.281 -16.344 1.00 62.32 H new ATOM 1607 N LYS A 109 5.658 1.086 -17.834 1.00 73.33 N ATOM 1608 CA LYS A 109 4.533 2.013 -17.620 1.00 1.23 C ATOM 1609 C LYS A 109 3.492 1.342 -16.690 1.00 43.11 C ATOM 1610 O LYS A 109 2.840 0.364 -17.073 1.00 51.22 O ATOM 1611 CB LYS A 109 3.878 2.425 -18.980 1.00 21.32 C ATOM 1612 CG LYS A 109 4.780 3.244 -19.954 1.00 55.10 C ATOM 1613 CD LYS A 109 5.961 2.433 -20.555 1.00 61.44 C ATOM 1614 CE LYS A 109 6.801 3.245 -21.556 1.00 12.42 C ATOM 1615 NZ LYS A 109 6.019 3.638 -22.761 1.00 71.25 N ATOM 0 H LYS A 109 5.567 0.527 -18.682 1.00 73.33 H new ATOM 0 HA LYS A 109 4.905 2.923 -17.149 1.00 1.23 H new ATOM 0 HB2 LYS A 109 3.553 1.520 -19.493 1.00 21.32 H new ATOM 0 HB3 LYS A 109 2.983 3.010 -18.767 1.00 21.32 H new ATOM 0 HG2 LYS A 109 4.164 3.627 -20.768 1.00 55.10 H new ATOM 0 HG3 LYS A 109 5.179 4.108 -19.423 1.00 55.10 H new ATOM 0 HD2 LYS A 109 6.605 2.086 -19.747 1.00 61.44 H new ATOM 0 HD3 LYS A 109 5.569 1.546 -21.053 1.00 61.44 H new ATOM 0 HE2 LYS A 109 7.182 4.140 -21.065 1.00 12.42 H new ATOM 0 HE3 LYS A 109 7.666 2.657 -21.863 1.00 12.42 H new ATOM 0 HZ1 LYS A 109 6.653 4.078 -23.458 1.00 71.25 H new ATOM 0 HZ2 LYS A 109 5.578 2.794 -23.179 1.00 71.25 H new ATOM 0 HZ3 LYS A 109 5.279 4.317 -22.489 1.00 71.25 H new ATOM 1629 N VAL A 110 3.359 1.862 -15.456 1.00 14.33 N ATOM 1630 CA VAL A 110 2.435 1.306 -14.435 1.00 60.22 C ATOM 1631 C VAL A 110 1.275 2.294 -14.198 1.00 22.40 C ATOM 1632 O VAL A 110 1.502 3.421 -13.769 1.00 45.25 O ATOM 1633 CB VAL A 110 3.166 1.009 -13.068 1.00 14.35 C ATOM 1634 CG1 VAL A 110 2.189 0.399 -12.019 1.00 11.21 C ATOM 1635 CG2 VAL A 110 4.405 0.097 -13.274 1.00 35.41 C ATOM 0 H VAL A 110 3.884 2.675 -15.134 1.00 14.33 H new ATOM 0 HA VAL A 110 2.053 0.359 -14.816 1.00 60.22 H new ATOM 0 HB VAL A 110 3.518 1.963 -12.675 1.00 14.35 H new ATOM 0 HG11 VAL A 110 2.726 0.207 -11.090 1.00 11.21 H new ATOM 0 HG12 VAL A 110 1.375 1.099 -11.830 1.00 11.21 H new ATOM 0 HG13 VAL A 110 1.781 -0.536 -12.402 1.00 11.21 H new ATOM 0 HG21 VAL A 110 4.885 -0.088 -12.313 1.00 35.41 H new ATOM 0 HG22 VAL A 110 4.090 -0.851 -13.711 1.00 35.41 H new ATOM 0 HG23 VAL A 110 5.111 0.588 -13.944 1.00 35.41 H new ATOM 1645 N LYS A 111 0.032 1.856 -14.442 1.00 72.15 N ATOM 1646 CA LYS A 111 -1.163 2.720 -14.297 1.00 54.14 C ATOM 1647 C LYS A 111 -2.052 2.219 -13.140 1.00 34.22 C ATOM 1648 O LYS A 111 -2.058 1.020 -12.826 1.00 5.10 O ATOM 1649 CB LYS A 111 -1.979 2.787 -15.618 1.00 72.42 C ATOM 1650 CG LYS A 111 -2.601 1.447 -16.073 1.00 4.33 C ATOM 1651 CD LYS A 111 -3.604 1.626 -17.237 1.00 24.24 C ATOM 1652 CE LYS A 111 -4.240 0.298 -17.691 1.00 2.11 C ATOM 1653 NZ LYS A 111 -5.283 0.516 -18.728 1.00 24.21 N ATOM 0 H LYS A 111 -0.180 0.905 -14.743 1.00 72.15 H new ATOM 0 HA LYS A 111 -0.819 3.728 -14.066 1.00 54.14 H new ATOM 0 HB2 LYS A 111 -2.778 3.518 -15.496 1.00 72.42 H new ATOM 0 HB3 LYS A 111 -1.328 3.155 -16.411 1.00 72.42 H new ATOM 0 HG2 LYS A 111 -1.807 0.768 -16.383 1.00 4.33 H new ATOM 0 HG3 LYS A 111 -3.108 0.980 -15.229 1.00 4.33 H new ATOM 0 HD2 LYS A 111 -4.392 2.313 -16.929 1.00 24.24 H new ATOM 0 HD3 LYS A 111 -3.093 2.086 -18.083 1.00 24.24 H new ATOM 0 HE2 LYS A 111 -3.466 -0.360 -18.086 1.00 2.11 H new ATOM 0 HE3 LYS A 111 -4.681 -0.207 -16.832 1.00 2.11 H new ATOM 0 HZ1 LYS A 111 -5.689 -0.399 -19.010 1.00 24.21 H new ATOM 0 HZ2 LYS A 111 -6.034 1.124 -18.343 1.00 24.21 H new ATOM 0 HZ3 LYS A 111 -4.857 0.976 -19.558 1.00 24.21 H new ATOM 1667 N ASN A 112 -2.797 3.158 -12.529 1.00 4.22 N ATOM 1668 CA ASN A 112 -3.746 2.888 -11.422 1.00 54.14 C ATOM 1669 C ASN A 112 -3.096 2.124 -10.227 1.00 45.10 C ATOM 1670 O ASN A 112 -3.754 1.323 -9.547 1.00 14.10 O ATOM 1671 CB ASN A 112 -5.010 2.157 -11.975 1.00 33.32 C ATOM 1672 CG ASN A 112 -5.747 2.939 -13.079 1.00 61.11 C ATOM 1673 OD1 ASN A 112 -6.302 2.352 -14.004 1.00 41.22 O ATOM 1674 ND2 ASN A 112 -5.792 4.260 -12.984 1.00 71.31 N ATOM 0 H ASN A 112 -2.759 4.143 -12.791 1.00 4.22 H new ATOM 0 HA ASN A 112 -4.052 3.849 -11.007 1.00 54.14 H new ATOM 0 HB2 ASN A 112 -4.713 1.185 -12.368 1.00 33.32 H new ATOM 0 HB3 ASN A 112 -5.700 1.971 -11.152 1.00 33.32 H new ATOM 0 HD21 ASN A 112 -6.293 4.805 -13.686 1.00 71.31 H new ATOM 0 HD22 ASN A 112 -5.326 4.732 -12.209 1.00 71.31 H new ATOM 1681 N HIS A 113 -1.810 2.434 -9.973 1.00 11.13 N ATOM 1682 CA HIS A 113 -1.001 1.844 -8.880 1.00 55.12 C ATOM 1683 C HIS A 113 -1.634 2.083 -7.487 1.00 14.21 C ATOM 1684 O HIS A 113 -2.084 3.191 -7.169 1.00 32.13 O ATOM 1685 CB HIS A 113 0.441 2.416 -8.920 1.00 22.51 C ATOM 1686 CG HIS A 113 1.326 1.975 -7.772 1.00 64.11 C ATOM 1687 ND1 HIS A 113 1.974 0.764 -7.788 1.00 65.02 N ATOM 1688 CD2 HIS A 113 1.610 2.606 -6.602 1.00 70.20 C ATOM 1689 CE1 HIS A 113 2.624 0.686 -6.644 1.00 34.13 C ATOM 1690 NE2 HIS A 113 2.434 1.776 -5.893 1.00 22.21 N ATOM 0 H HIS A 113 -1.292 3.113 -10.530 1.00 11.13 H new ATOM 0 HA HIS A 113 -0.971 0.766 -9.040 1.00 55.12 H new ATOM 0 HB2 HIS A 113 0.910 2.119 -9.858 1.00 22.51 H new ATOM 0 HB3 HIS A 113 0.386 3.505 -8.922 1.00 22.51 H new ATOM 0 HD1 HIS A 113 1.956 0.067 -8.533 1.00 65.02 H new ATOM 0 HD2 HIS A 113 1.253 3.577 -6.292 1.00 70.20 H new ATOM 0 HE1 HIS A 113 3.235 -0.155 -6.349 1.00 34.13 H new ATOM 1698 N LYS A 114 -1.639 1.019 -6.665 1.00 42.42 N ATOM 1699 CA LYS A 114 -2.222 1.015 -5.308 1.00 72.55 C ATOM 1700 C LYS A 114 -1.280 0.269 -4.312 1.00 31.14 C ATOM 1701 O LYS A 114 -0.733 -0.777 -4.666 1.00 65.14 O ATOM 1702 CB LYS A 114 -3.611 0.306 -5.337 1.00 35.40 C ATOM 1703 CG LYS A 114 -4.644 0.948 -6.290 1.00 21.31 C ATOM 1704 CD LYS A 114 -5.993 0.201 -6.297 1.00 74.04 C ATOM 1705 CE LYS A 114 -6.983 0.775 -7.322 1.00 44.03 C ATOM 1706 NZ LYS A 114 -6.508 0.596 -8.720 1.00 74.45 N ATOM 0 H LYS A 114 -1.232 0.122 -6.928 1.00 42.42 H new ATOM 0 HA LYS A 114 -2.342 2.046 -4.976 1.00 72.55 H new ATOM 0 HB2 LYS A 114 -3.467 -0.735 -5.628 1.00 35.40 H new ATOM 0 HB3 LYS A 114 -4.022 0.301 -4.328 1.00 35.40 H new ATOM 0 HG2 LYS A 114 -4.809 1.984 -5.995 1.00 21.31 H new ATOM 0 HG3 LYS A 114 -4.238 0.965 -7.301 1.00 21.31 H new ATOM 0 HD2 LYS A 114 -5.819 -0.852 -6.516 1.00 74.04 H new ATOM 0 HD3 LYS A 114 -6.436 0.251 -5.302 1.00 74.04 H new ATOM 0 HE2 LYS A 114 -7.951 0.287 -7.203 1.00 44.03 H new ATOM 0 HE3 LYS A 114 -7.134 1.836 -7.124 1.00 44.03 H new ATOM 0 HZ1 LYS A 114 -6.708 1.457 -9.268 1.00 74.45 H new ATOM 0 HZ2 LYS A 114 -5.484 0.417 -8.718 1.00 74.45 H new ATOM 0 HZ3 LYS A 114 -7.000 -0.212 -9.153 1.00 74.45 H new ATOM 1720 N TRP A 115 -1.055 0.779 -3.071 1.00 3.14 N ATOM 1721 CA TRP A 115 -1.470 2.131 -2.599 1.00 25.13 C ATOM 1722 C TRP A 115 -0.253 3.032 -2.275 1.00 71.31 C ATOM 1723 O TRP A 115 0.852 2.551 -1.997 1.00 52.43 O ATOM 1724 CB TRP A 115 -2.360 2.019 -1.326 1.00 31.23 C ATOM 1725 CG TRP A 115 -3.665 1.282 -1.533 1.00 61.24 C ATOM 1726 CD1 TRP A 115 -3.969 0.003 -1.147 1.00 32.31 C ATOM 1727 CD2 TRP A 115 -4.839 1.792 -2.185 1.00 33.01 C ATOM 1728 NE1 TRP A 115 -5.256 -0.300 -1.505 1.00 21.40 N ATOM 1729 CE2 TRP A 115 -5.809 0.774 -2.147 1.00 54.41 C ATOM 1730 CE3 TRP A 115 -5.160 3.009 -2.800 1.00 23.43 C ATOM 1731 CZ2 TRP A 115 -7.080 0.934 -2.691 1.00 5.21 C ATOM 1732 CZ3 TRP A 115 -6.421 3.169 -3.340 1.00 62.32 C ATOM 1733 CH2 TRP A 115 -7.367 2.134 -3.284 1.00 4.22 C ATOM 0 H TRP A 115 -0.567 0.247 -2.351 1.00 3.14 H new ATOM 0 HA TRP A 115 -2.035 2.586 -3.413 1.00 25.13 H new ATOM 0 HB2 TRP A 115 -1.792 1.513 -0.545 1.00 31.23 H new ATOM 0 HB3 TRP A 115 -2.579 3.023 -0.962 1.00 31.23 H new ATOM 0 HD1 TRP A 115 -3.294 -0.667 -0.636 1.00 32.31 H new ATOM 0 HE1 TRP A 115 -5.727 -1.186 -1.322 1.00 21.40 H new ATOM 0 HE3 TRP A 115 -4.435 3.808 -2.851 1.00 23.43 H new ATOM 0 HZ2 TRP A 115 -7.812 0.141 -2.647 1.00 5.21 H new ATOM 0 HZ3 TRP A 115 -6.683 4.104 -3.812 1.00 62.32 H new ATOM 0 HH2 TRP A 115 -8.344 2.288 -3.719 1.00 4.22 H new ATOM 1744 N VAL A 116 -0.503 4.351 -2.320 1.00 24.34 N ATOM 1745 CA VAL A 116 0.429 5.403 -1.843 1.00 13.00 C ATOM 1746 C VAL A 116 -0.318 6.342 -0.870 1.00 64.22 C ATOM 1747 O VAL A 116 -1.537 6.458 -0.939 1.00 71.21 O ATOM 1748 CB VAL A 116 1.038 6.254 -3.031 1.00 34.13 C ATOM 1749 CG1 VAL A 116 1.949 5.393 -3.948 1.00 43.35 C ATOM 1750 CG2 VAL A 116 -0.078 6.955 -3.854 1.00 22.03 C ATOM 0 H VAL A 116 -1.373 4.730 -2.695 1.00 24.34 H new ATOM 0 HA VAL A 116 1.258 4.905 -1.339 1.00 13.00 H new ATOM 0 HB VAL A 116 1.662 7.028 -2.584 1.00 34.13 H new ATOM 0 HG11 VAL A 116 2.347 6.013 -4.751 1.00 43.35 H new ATOM 0 HG12 VAL A 116 2.773 4.984 -3.362 1.00 43.35 H new ATOM 0 HG13 VAL A 116 1.367 4.576 -4.375 1.00 43.35 H new ATOM 0 HG21 VAL A 116 0.373 7.531 -4.662 1.00 22.03 H new ATOM 0 HG22 VAL A 116 -0.747 6.204 -4.274 1.00 22.03 H new ATOM 0 HG23 VAL A 116 -0.644 7.623 -3.205 1.00 22.03 H new ATOM 1760 N THR A 117 0.405 6.991 0.045 1.00 52.34 N ATOM 1761 CA THR A 117 -0.180 8.015 0.951 1.00 60.23 C ATOM 1762 C THR A 117 0.199 9.432 0.494 1.00 23.52 C ATOM 1763 O THR A 117 1.158 9.613 -0.258 1.00 10.33 O ATOM 1764 CB THR A 117 0.265 7.812 2.443 1.00 30.31 C ATOM 1765 OG1 THR A 117 1.694 7.869 2.556 1.00 60.33 O ATOM 1766 CG2 THR A 117 -0.245 6.474 3.008 1.00 52.20 C ATOM 0 H THR A 117 1.403 6.833 0.188 1.00 52.34 H new ATOM 0 HA THR A 117 -1.262 7.893 0.900 1.00 60.23 H new ATOM 0 HB THR A 117 -0.176 8.621 3.026 1.00 30.31 H new ATOM 0 HG1 THR A 117 1.953 7.742 3.492 1.00 60.33 H new ATOM 0 HG21 THR A 117 0.082 6.368 4.042 1.00 52.20 H new ATOM 0 HG22 THR A 117 -1.334 6.454 2.968 1.00 52.20 H new ATOM 0 HG23 THR A 117 0.155 5.652 2.414 1.00 52.20 H new ATOM 1774 N GLU A 118 -0.565 10.436 0.960 1.00 64.35 N ATOM 1775 CA GLU A 118 -0.313 11.868 0.652 1.00 61.15 C ATOM 1776 C GLU A 118 1.057 12.340 1.213 1.00 3.40 C ATOM 1777 O GLU A 118 1.684 13.255 0.667 1.00 31.22 O ATOM 1778 CB GLU A 118 -1.471 12.724 1.219 1.00 40.11 C ATOM 1779 CG GLU A 118 -1.421 14.224 0.887 1.00 15.44 C ATOM 1780 CD GLU A 118 -2.712 14.958 1.290 1.00 1.34 C ATOM 1781 OE1 GLU A 118 -2.917 15.209 2.496 1.00 3.31 O ATOM 1782 OE2 GLU A 118 -3.540 15.260 0.405 1.00 63.25 O ATOM 0 H GLU A 118 -1.375 10.285 1.561 1.00 64.35 H new ATOM 0 HA GLU A 118 -0.271 11.991 -0.430 1.00 61.15 H new ATOM 0 HB2 GLU A 118 -2.412 12.320 0.846 1.00 40.11 H new ATOM 0 HB3 GLU A 118 -1.483 12.612 2.303 1.00 40.11 H new ATOM 0 HG2 GLU A 118 -0.573 14.679 1.399 1.00 15.44 H new ATOM 0 HG3 GLU A 118 -1.253 14.351 -0.182 1.00 15.44 H new ATOM 1789 N ASP A 119 1.511 11.682 2.297 1.00 24.41 N ATOM 1790 CA ASP A 119 2.852 11.892 2.899 1.00 41.11 C ATOM 1791 C ASP A 119 3.999 11.495 1.931 1.00 75.24 C ATOM 1792 O ASP A 119 5.122 12.003 2.038 1.00 33.34 O ATOM 1793 CB ASP A 119 2.950 11.079 4.208 1.00 44.33 C ATOM 1794 CG ASP A 119 1.860 11.472 5.216 1.00 32.41 C ATOM 1795 OD1 ASP A 119 0.740 10.922 5.144 1.00 51.32 O ATOM 1796 OD2 ASP A 119 2.100 12.369 6.058 1.00 42.10 O ATOM 0 H ASP A 119 0.955 10.982 2.788 1.00 24.41 H new ATOM 0 HA ASP A 119 2.968 12.956 3.108 1.00 41.11 H new ATOM 0 HB2 ASP A 119 2.867 10.016 3.981 1.00 44.33 H new ATOM 0 HB3 ASP A 119 3.931 11.233 4.657 1.00 44.33 H new ATOM 1801 N GLU A 120 3.696 10.581 0.994 1.00 32.02 N ATOM 1802 CA GLU A 120 4.633 10.141 -0.064 1.00 4.52 C ATOM 1803 C GLU A 120 4.482 10.984 -1.353 1.00 44.30 C ATOM 1804 O GLU A 120 5.206 10.761 -2.312 1.00 11.13 O ATOM 1805 CB GLU A 120 4.378 8.650 -0.403 1.00 60.11 C ATOM 1806 CG GLU A 120 4.516 7.690 0.789 1.00 2.42 C ATOM 1807 CD GLU A 120 4.243 6.230 0.411 1.00 45.43 C ATOM 1808 OE1 GLU A 120 5.144 5.575 -0.151 1.00 30.52 O ATOM 1809 OE2 GLU A 120 3.127 5.733 0.678 1.00 74.21 O ATOM 0 H GLU A 120 2.787 10.120 0.946 1.00 32.02 H new ATOM 0 HA GLU A 120 5.645 10.277 0.317 1.00 4.52 H new ATOM 0 HB2 GLU A 120 3.375 8.552 -0.817 1.00 60.11 H new ATOM 0 HB3 GLU A 120 5.076 8.344 -1.182 1.00 60.11 H new ATOM 0 HG2 GLU A 120 5.522 7.772 1.201 1.00 2.42 H new ATOM 0 HG3 GLU A 120 3.824 7.992 1.575 1.00 2.42 H new ATOM 1816 N LEU A 121 3.567 11.969 -1.368 1.00 55.21 N ATOM 1817 CA LEU A 121 3.216 12.730 -2.597 1.00 23.00 C ATOM 1818 C LEU A 121 3.511 14.236 -2.400 1.00 22.15 C ATOM 1819 O LEU A 121 3.271 14.789 -1.321 1.00 11.12 O ATOM 1820 CB LEU A 121 1.708 12.533 -2.959 1.00 20.20 C ATOM 1821 CG LEU A 121 1.213 11.060 -3.134 1.00 41.02 C ATOM 1822 CD1 LEU A 121 -0.284 11.011 -3.510 1.00 64.21 C ATOM 1823 CD2 LEU A 121 2.070 10.284 -4.157 1.00 21.23 C ATOM 0 H LEU A 121 3.049 12.264 -0.540 1.00 55.21 H new ATOM 0 HA LEU A 121 3.826 12.349 -3.416 1.00 23.00 H new ATOM 0 HB2 LEU A 121 1.107 13.003 -2.181 1.00 20.20 H new ATOM 0 HB3 LEU A 121 1.508 13.071 -3.885 1.00 20.20 H new ATOM 0 HG LEU A 121 1.332 10.565 -2.170 1.00 41.02 H new ATOM 0 HD11 LEU A 121 -0.597 9.973 -3.624 1.00 64.21 H new ATOM 0 HD12 LEU A 121 -0.872 11.483 -2.723 1.00 64.21 H new ATOM 0 HD13 LEU A 121 -0.441 11.543 -4.449 1.00 64.21 H new ATOM 0 HD21 LEU A 121 1.693 9.265 -4.249 1.00 21.23 H new ATOM 0 HD22 LEU A 121 2.017 10.780 -5.126 1.00 21.23 H new ATOM 0 HD23 LEU A 121 3.106 10.258 -3.819 1.00 21.23 H new ATOM 1835 N SER A 122 4.034 14.881 -3.451 1.00 50.21 N ATOM 1836 CA SER A 122 4.273 16.346 -3.487 1.00 60.23 C ATOM 1837 C SER A 122 3.705 16.916 -4.797 1.00 51.55 C ATOM 1838 O SER A 122 4.103 16.469 -5.865 1.00 72.20 O ATOM 1839 CB SER A 122 5.787 16.668 -3.382 1.00 14.24 C ATOM 1840 OG SER A 122 6.335 16.224 -2.152 1.00 73.10 O ATOM 0 H SER A 122 4.308 14.405 -4.311 1.00 50.21 H new ATOM 0 HA SER A 122 3.773 16.804 -2.634 1.00 60.23 H new ATOM 0 HB2 SER A 122 6.318 16.195 -4.208 1.00 14.24 H new ATOM 0 HB3 SER A 122 5.938 17.743 -3.480 1.00 14.24 H new ATOM 0 HG SER A 122 6.569 15.275 -2.222 1.00 73.10 H new ATOM 1846 N ALA A 123 2.785 17.898 -4.704 1.00 45.25 N ATOM 1847 CA ALA A 123 2.093 18.484 -5.881 1.00 42.02 C ATOM 1848 C ALA A 123 3.100 19.044 -6.919 1.00 45.44 C ATOM 1849 O ALA A 123 3.886 19.948 -6.611 1.00 25.31 O ATOM 1850 CB ALA A 123 1.099 19.563 -5.425 1.00 23.43 C ATOM 0 H ALA A 123 2.498 18.309 -3.816 1.00 45.25 H new ATOM 0 HA ALA A 123 1.537 17.690 -6.379 1.00 42.02 H new ATOM 0 HB1 ALA A 123 0.597 19.986 -6.295 1.00 23.43 H new ATOM 0 HB2 ALA A 123 0.359 19.118 -4.760 1.00 23.43 H new ATOM 0 HB3 ALA A 123 1.635 20.351 -4.896 1.00 23.43 H new ATOM 1856 N LYS A 124 3.080 18.464 -8.132 1.00 0.31 N ATOM 1857 CA LYS A 124 4.078 18.755 -9.178 1.00 72.23 C ATOM 1858 C LYS A 124 3.749 20.064 -9.940 1.00 61.30 C ATOM 1859 O LYS A 124 3.035 20.064 -10.955 1.00 64.31 O ATOM 1860 CB LYS A 124 4.192 17.540 -10.137 1.00 3.10 C ATOM 1861 CG LYS A 124 5.299 17.662 -11.205 1.00 33.33 C ATOM 1862 CD LYS A 124 5.406 16.407 -12.099 1.00 45.50 C ATOM 1863 CE LYS A 124 6.493 16.554 -13.182 1.00 33.04 C ATOM 1864 NZ LYS A 124 6.150 17.596 -14.184 1.00 42.31 N ATOM 0 H LYS A 124 2.375 17.783 -8.415 1.00 0.31 H new ATOM 0 HA LYS A 124 5.046 18.916 -8.703 1.00 72.23 H new ATOM 0 HB2 LYS A 124 4.375 16.643 -9.545 1.00 3.10 H new ATOM 0 HB3 LYS A 124 3.235 17.400 -10.640 1.00 3.10 H new ATOM 0 HG2 LYS A 124 5.101 18.533 -11.830 1.00 33.33 H new ATOM 0 HG3 LYS A 124 6.256 17.835 -10.712 1.00 33.33 H new ATOM 0 HD2 LYS A 124 5.629 15.539 -11.478 1.00 45.50 H new ATOM 0 HD3 LYS A 124 4.444 16.219 -12.576 1.00 45.50 H new ATOM 0 HE2 LYS A 124 7.443 16.805 -12.709 1.00 33.04 H new ATOM 0 HE3 LYS A 124 6.632 15.598 -13.687 1.00 33.04 H new ATOM 0 HZ1 LYS A 124 6.847 17.579 -14.955 1.00 42.31 H new ATOM 0 HZ2 LYS A 124 5.203 17.408 -14.570 1.00 42.31 H new ATOM 0 HZ3 LYS A 124 6.160 18.531 -13.729 1.00 42.31 H new ATOM 1878 N LEU A 125 4.233 21.188 -9.381 1.00 0.20 N ATOM 1879 CA LEU A 125 4.235 22.502 -10.065 1.00 40.30 C ATOM 1880 C LEU A 125 5.460 22.609 -11.011 1.00 40.10 C ATOM 1881 O LEU A 125 6.375 21.771 -10.967 1.00 14.15 O ATOM 1882 CB LEU A 125 4.249 23.676 -9.024 1.00 35.11 C ATOM 1883 CG LEU A 125 2.906 23.978 -8.264 1.00 11.43 C ATOM 1884 CD1 LEU A 125 2.461 22.815 -7.347 1.00 44.41 C ATOM 1885 CD2 LEU A 125 3.016 25.299 -7.460 1.00 33.21 C ATOM 0 H LEU A 125 4.634 21.215 -8.444 1.00 0.20 H new ATOM 0 HA LEU A 125 3.322 22.582 -10.655 1.00 40.30 H new ATOM 0 HB2 LEU A 125 5.016 23.460 -8.281 1.00 35.11 H new ATOM 0 HB3 LEU A 125 4.555 24.584 -9.543 1.00 35.11 H new ATOM 0 HG LEU A 125 2.134 24.090 -9.025 1.00 11.43 H new ATOM 0 HD11 LEU A 125 1.529 23.081 -6.849 1.00 44.41 H new ATOM 0 HD12 LEU A 125 2.309 21.917 -7.946 1.00 44.41 H new ATOM 0 HD13 LEU A 125 3.231 22.626 -6.599 1.00 44.41 H new ATOM 0 HD21 LEU A 125 2.076 25.489 -6.942 1.00 33.21 H new ATOM 0 HD22 LEU A 125 3.822 25.215 -6.731 1.00 33.21 H new ATOM 0 HD23 LEU A 125 3.228 26.123 -8.141 1.00 33.21 H new ATOM 1897 N GLU A 126 5.465 23.650 -11.863 1.00 0.53 N ATOM 1898 CA GLU A 126 6.595 23.940 -12.783 1.00 34.45 C ATOM 1899 C GLU A 126 7.901 24.291 -12.014 1.00 45.24 C ATOM 1900 O GLU A 126 9.003 24.122 -12.543 1.00 73.31 O ATOM 1901 CB GLU A 126 6.203 25.087 -13.750 1.00 61.04 C ATOM 1902 CG GLU A 126 5.892 26.437 -13.062 1.00 53.43 C ATOM 1903 CD GLU A 126 5.273 27.473 -14.016 1.00 40.31 C ATOM 1904 OE1 GLU A 126 4.031 27.494 -14.158 1.00 41.01 O ATOM 1905 OE2 GLU A 126 6.019 28.258 -14.634 1.00 52.10 O ATOM 0 H GLU A 126 4.694 24.314 -11.938 1.00 0.53 H new ATOM 0 HA GLU A 126 6.799 23.037 -13.358 1.00 34.45 H new ATOM 0 HB2 GLU A 126 7.015 25.236 -14.462 1.00 61.04 H new ATOM 0 HB3 GLU A 126 5.329 24.777 -14.323 1.00 61.04 H new ATOM 0 HG2 GLU A 126 5.209 26.265 -12.230 1.00 53.43 H new ATOM 0 HG3 GLU A 126 6.812 26.844 -12.641 1.00 53.43 H new ATOM 1912 N HIS A 127 7.751 24.778 -10.761 1.00 42.31 N ATOM 1913 CA HIS A 127 8.882 25.097 -9.868 1.00 42.30 C ATOM 1914 C HIS A 127 9.652 23.806 -9.481 1.00 5.15 C ATOM 1915 O HIS A 127 9.174 23.006 -8.672 1.00 14.30 O ATOM 1916 CB HIS A 127 8.359 25.829 -8.598 1.00 45.53 C ATOM 1917 CG HIS A 127 9.445 26.402 -7.712 1.00 52.23 C ATOM 1918 ND1 HIS A 127 9.861 27.715 -7.794 1.00 5.14 N ATOM 1919 CD2 HIS A 127 10.187 25.845 -6.719 1.00 24.53 C ATOM 1920 CE1 HIS A 127 10.802 27.939 -6.907 1.00 41.25 C ATOM 1921 NE2 HIS A 127 11.019 26.825 -6.241 1.00 73.04 N ATOM 0 H HIS A 127 6.839 24.960 -10.342 1.00 42.31 H new ATOM 0 HA HIS A 127 9.574 25.756 -10.393 1.00 42.30 H new ATOM 0 HB2 HIS A 127 7.696 26.637 -8.907 1.00 45.53 H new ATOM 0 HB3 HIS A 127 7.760 25.131 -8.012 1.00 45.53 H new ATOM 0 HD2 HIS A 127 10.132 24.824 -6.372 1.00 24.53 H new ATOM 0 HE1 HIS A 127 11.312 28.878 -6.750 1.00 41.25 H new ATOM 0 HE2 HIS A 127 11.698 26.709 -5.489 1.00 73.04 H new ATOM 1930 N HIS A 128 10.830 23.608 -10.092 1.00 42.52 N ATOM 1931 CA HIS A 128 11.702 22.449 -9.816 1.00 51.23 C ATOM 1932 C HIS A 128 12.632 22.743 -8.617 1.00 54.03 C ATOM 1933 O HIS A 128 13.460 23.660 -8.674 1.00 21.33 O ATOM 1934 CB HIS A 128 12.527 22.095 -11.082 1.00 12.04 C ATOM 1935 CG HIS A 128 11.670 21.777 -12.282 1.00 70.34 C ATOM 1936 ND1 HIS A 128 11.685 22.512 -13.450 1.00 35.44 N ATOM 1937 CD2 HIS A 128 10.770 20.786 -12.485 1.00 3.22 C ATOM 1938 CE1 HIS A 128 10.832 21.992 -14.308 1.00 24.03 C ATOM 1939 NE2 HIS A 128 10.268 20.943 -13.752 1.00 34.14 N ATOM 0 H HIS A 128 11.208 24.246 -10.793 1.00 42.52 H new ATOM 0 HA HIS A 128 11.080 21.593 -9.556 1.00 51.23 H new ATOM 0 HB2 HIS A 128 13.184 22.930 -11.324 1.00 12.04 H new ATOM 0 HB3 HIS A 128 13.166 21.240 -10.863 1.00 12.04 H new ATOM 0 HD2 HIS A 128 10.498 20.015 -11.780 1.00 3.22 H new ATOM 0 HE1 HIS A 128 10.630 22.365 -15.301 1.00 24.03 H new ATOM 0 HE2 HIS A 128 9.570 20.343 -14.191 1.00 34.14 H new ATOM 1948 N HIS A 129 12.464 21.966 -7.526 1.00 32.20 N ATOM 1949 CA HIS A 129 13.304 22.080 -6.303 1.00 32.23 C ATOM 1950 C HIS A 129 14.784 21.681 -6.559 1.00 50.24 C ATOM 1951 O HIS A 129 15.701 22.216 -5.923 1.00 35.10 O ATOM 1952 CB HIS A 129 12.687 21.242 -5.149 1.00 20.54 C ATOM 1953 CG HIS A 129 12.372 19.803 -5.496 1.00 65.24 C ATOM 1954 ND1 HIS A 129 11.145 19.405 -5.982 1.00 41.12 N ATOM 1955 CD2 HIS A 129 13.121 18.672 -5.419 1.00 44.13 C ATOM 1956 CE1 HIS A 129 11.148 18.105 -6.182 1.00 14.34 C ATOM 1957 NE2 HIS A 129 12.333 17.631 -5.849 1.00 42.12 N ATOM 0 H HIS A 129 11.747 21.243 -7.463 1.00 32.20 H new ATOM 0 HA HIS A 129 13.315 23.130 -6.010 1.00 32.23 H new ATOM 0 HB2 HIS A 129 13.376 21.253 -4.305 1.00 20.54 H new ATOM 0 HB3 HIS A 129 11.769 21.729 -4.818 1.00 20.54 H new ATOM 0 HD2 HIS A 129 14.145 18.604 -5.083 1.00 44.13 H new ATOM 0 HE1 HIS A 129 10.319 17.523 -6.556 1.00 14.34 H new ATOM 0 HE2 HIS A 129 12.618 16.653 -5.902 1.00 42.12 H new ATOM 1966 N HIS A 130 14.992 20.739 -7.497 1.00 53.22 N ATOM 1967 CA HIS A 130 16.337 20.284 -7.917 1.00 72.02 C ATOM 1968 C HIS A 130 16.259 19.720 -9.357 1.00 60.04 C ATOM 1969 O HIS A 130 15.591 18.707 -9.594 1.00 12.44 O ATOM 1970 CB HIS A 130 16.894 19.212 -6.927 1.00 40.20 C ATOM 1971 CG HIS A 130 18.365 18.893 -7.107 1.00 11.22 C ATOM 1972 ND1 HIS A 130 18.877 18.285 -8.232 1.00 3.10 N ATOM 1973 CD2 HIS A 130 19.434 19.133 -6.308 1.00 34.50 C ATOM 1974 CE1 HIS A 130 20.181 18.157 -8.118 1.00 55.21 C ATOM 1975 NE2 HIS A 130 20.547 18.667 -6.964 1.00 41.34 N ATOM 0 H HIS A 130 14.232 20.268 -7.988 1.00 53.22 H new ATOM 0 HA HIS A 130 17.023 21.131 -7.903 1.00 72.02 H new ATOM 0 HB2 HIS A 130 16.733 19.560 -5.907 1.00 40.20 H new ATOM 0 HB3 HIS A 130 16.319 18.293 -7.045 1.00 40.20 H new ATOM 0 HD1 HIS A 130 18.326 17.979 -9.034 1.00 3.10 H new ATOM 0 HD2 HIS A 130 19.414 19.603 -5.336 1.00 34.50 H new ATOM 0 HE1 HIS A 130 20.839 17.709 -8.848 1.00 55.21 H new ATOM 1984 N HIS A 131 16.940 20.388 -10.309 1.00 21.33 N ATOM 1985 CA HIS A 131 16.968 19.971 -11.739 1.00 54.12 C ATOM 1986 C HIS A 131 17.954 18.799 -11.988 1.00 52.35 C ATOM 1987 O HIS A 131 18.642 18.349 -11.066 1.00 55.34 O ATOM 1988 CB HIS A 131 17.339 21.179 -12.642 1.00 73.45 C ATOM 1989 CG HIS A 131 18.765 21.671 -12.490 1.00 60.13 C ATOM 1990 ND1 HIS A 131 19.796 21.270 -13.318 1.00 32.31 N ATOM 1991 CD2 HIS A 131 19.321 22.542 -11.615 1.00 32.25 C ATOM 1992 CE1 HIS A 131 20.912 21.867 -12.957 1.00 22.40 C ATOM 1993 NE2 HIS A 131 20.653 22.640 -11.928 1.00 31.12 N ATOM 0 H HIS A 131 17.486 21.228 -10.118 1.00 21.33 H new ATOM 0 HA HIS A 131 15.969 19.618 -11.994 1.00 54.12 H new ATOM 0 HB2 HIS A 131 17.174 20.901 -13.683 1.00 73.45 H new ATOM 0 HB3 HIS A 131 16.660 22.002 -12.421 1.00 73.45 H new ATOM 0 HD1 HIS A 131 19.706 20.611 -14.092 1.00 32.31 H new ATOM 0 HD2 HIS A 131 18.811 23.063 -10.818 1.00 32.25 H new ATOM 0 HE1 HIS A 131 21.876 21.742 -13.427 1.00 22.40 H new ATOM 2002 N HIS A 132 18.015 18.319 -13.248 1.00 44.11 N ATOM 2003 CA HIS A 132 18.978 17.275 -13.671 1.00 74.33 C ATOM 2004 C HIS A 132 20.450 17.814 -13.618 1.00 74.44 C ATOM 2005 O HIS A 132 20.820 18.650 -14.476 1.00 37.42 O ATOM 2006 CB HIS A 132 18.612 16.768 -15.096 1.00 1.43 C ATOM 2007 CG HIS A 132 19.463 15.623 -15.597 1.00 65.33 C ATOM 2008 ND1 HIS A 132 20.730 15.799 -16.119 1.00 53.42 N ATOM 2009 CD2 HIS A 132 19.231 14.287 -15.647 1.00 2.45 C ATOM 2010 CE1 HIS A 132 21.233 14.634 -16.464 1.00 75.15 C ATOM 2011 NE2 HIS A 132 20.348 13.702 -16.189 1.00 35.30 N ATOM 2012 OXT HIS A 132 21.221 17.391 -12.730 1.00 37.42 O ATOM 0 H HIS A 132 17.403 18.640 -13.998 1.00 44.11 H new ATOM 0 HA HIS A 132 18.916 16.436 -12.978 1.00 74.33 H new ATOM 0 HB2 HIS A 132 17.568 16.455 -15.098 1.00 1.43 H new ATOM 0 HB3 HIS A 132 18.697 17.599 -15.796 1.00 1.43 H new ATOM 0 HD2 HIS A 132 18.335 13.779 -15.321 1.00 2.45 H new ATOM 0 HE1 HIS A 132 22.208 14.471 -16.899 1.00 75.15 H new ATOM 0 HE2 HIS A 132 20.472 12.703 -16.352 1.00 35.30 H new TER 2021 HIS A 132