USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 959 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 45 CYS SG : rot 67:sc= -1.56! USER MOD Set 1.2: A 67 GLN : amide:sc= -0.339 K(o=-1.9,f=-3.1) USER MOD Set 2.1: A 26 ASN : amide:sc= -1.01 K(o=-1,f=-2.9!) USER MOD Set 2.2: A 29 SER OG : rot 36:sc= 0.005 USER MOD Set 3.1: A 18 CYS SG : rot 180:sc= 1.05 USER MOD Set 3.2: A 36 TYR OH : rot -65:sc= 1.38 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 150:sc= -0.226 (180deg=-2.32!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.883 X(o=-0.88,f=-0.96) USER MOD Single : A 15 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.5) USER MOD Single : A 28 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 42 GLN : amide:sc=-0.00826 X(o=-0.0083,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.934 K(o=-0.93,f=-1.7) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -124:sc= -4.58! (180deg=-10.8!) USER MOD Single : A 52 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.34) USER MOD Single : A 54 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.055) USER MOD Single : A 55 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 179:sc= -1.12 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 45:sc= 0.0416 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.184 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.9!) USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= 0.0458 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= -0.331 (180deg=-1.39) USER MOD Single : A 85 THR OG1 : rot -119:sc= 0.873 USER MOD Single : A 88 CYS SG : rot -69:sc= -2.78 USER MOD Single : A 92 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.0032) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0021 X(o=-0.0021,f=-0.041) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 106 LYS NZ :NH3+ -139:sc= 0.0471 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.442 X(o=0.44,f=-0.017) USER MOD Single : A 117 GLN : amide:sc= -0.361 K(o=-0.36,f=-3!) USER MOD Single : A 119 SER OG : rot -130:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -105:sc= 0.638 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.119 -5.886 1.299 1.00 0.00 N ATOM 2 CA GLY A 1 8.380 -7.021 1.827 1.00 0.00 C ATOM 3 C GLY A 1 7.339 -6.568 2.852 1.00 0.00 C ATOM 4 O GLY A 1 6.564 -5.649 2.592 1.00 0.00 O ATOM 0 H1 GLY A 1 9.819 -6.220 0.606 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.460 -5.228 0.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.607 -5.398 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.887 -7.550 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.071 -7.725 2.291 1.00 0.00 H new ATOM 8 N SER A 2 7.353 -7.236 3.997 1.00 0.00 N ATOM 9 CA SER A 2 6.420 -6.914 5.063 1.00 0.00 C ATOM 10 C SER A 2 4.984 -7.151 4.591 1.00 0.00 C ATOM 11 O SER A 2 4.501 -6.464 3.692 1.00 0.00 O ATOM 12 CB SER A 2 6.593 -5.467 5.528 1.00 0.00 C ATOM 13 OG SER A 2 7.531 -5.358 6.595 1.00 0.00 O ATOM 0 H SER A 2 7.996 -7.999 4.209 1.00 0.00 H new ATOM 0 HA SER A 2 6.630 -7.567 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.924 -4.854 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.630 -5.072 5.850 1.00 0.00 H new ATOM 0 HG SER A 2 7.615 -4.419 6.862 1.00 0.00 H new ATOM 19 N SER A 3 4.342 -8.126 5.217 1.00 0.00 N ATOM 20 CA SER A 3 2.971 -8.462 4.872 1.00 0.00 C ATOM 21 C SER A 3 2.141 -8.644 6.144 1.00 0.00 C ATOM 22 O SER A 3 2.692 -8.831 7.228 1.00 0.00 O ATOM 23 CB SER A 3 2.914 -9.729 4.016 1.00 0.00 C ATOM 24 OG SER A 3 1.641 -9.899 3.399 1.00 0.00 O ATOM 0 H SER A 3 4.746 -8.694 5.961 1.00 0.00 H new ATOM 0 HA SER A 3 2.554 -7.641 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.686 -9.683 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.134 -10.597 4.638 1.00 0.00 H new ATOM 0 HG SER A 3 1.645 -10.718 2.860 1.00 0.00 H new ATOM 30 N GLY A 4 0.829 -8.583 5.970 1.00 0.00 N ATOM 31 CA GLY A 4 -0.083 -8.738 7.091 1.00 0.00 C ATOM 32 C GLY A 4 -0.815 -10.080 7.020 1.00 0.00 C ATOM 33 O GLY A 4 -0.187 -11.126 6.864 1.00 0.00 O ATOM 0 H GLY A 4 0.376 -8.428 5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.471 -8.671 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.808 -7.924 7.090 1.00 0.00 H new ATOM 37 N SER A 5 -2.133 -10.006 7.137 1.00 0.00 N ATOM 38 CA SER A 5 -2.957 -11.201 7.088 1.00 0.00 C ATOM 39 C SER A 5 -4.104 -11.006 6.094 1.00 0.00 C ATOM 40 O SER A 5 -4.503 -9.876 5.816 1.00 0.00 O ATOM 41 CB SER A 5 -3.508 -11.547 8.473 1.00 0.00 C ATOM 42 OG SER A 5 -4.396 -10.545 8.960 1.00 0.00 O ATOM 0 H SER A 5 -2.650 -9.136 7.266 1.00 0.00 H new ATOM 0 HA SER A 5 -2.335 -12.032 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.030 -12.503 8.427 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.681 -11.669 9.172 1.00 0.00 H new ATOM 0 HG SER A 5 -4.727 -10.804 9.845 1.00 0.00 H new ATOM 48 N SER A 6 -4.602 -12.124 5.587 1.00 0.00 N ATOM 49 CA SER A 6 -5.695 -12.089 4.630 1.00 0.00 C ATOM 50 C SER A 6 -6.039 -13.510 4.178 1.00 0.00 C ATOM 51 O SER A 6 -7.178 -13.952 4.322 1.00 0.00 O ATOM 52 CB SER A 6 -5.343 -11.218 3.423 1.00 0.00 C ATOM 53 OG SER A 6 -6.248 -10.128 3.269 1.00 0.00 O ATOM 0 H SER A 6 -4.269 -13.059 5.821 1.00 0.00 H new ATOM 0 HA SER A 6 -6.564 -11.649 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.329 -10.834 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.354 -11.828 2.520 1.00 0.00 H new ATOM 0 HG SER A 6 -5.988 -9.595 2.489 1.00 0.00 H new ATOM 59 N GLY A 7 -5.034 -14.185 3.640 1.00 0.00 N ATOM 60 CA GLY A 7 -5.216 -15.546 3.165 1.00 0.00 C ATOM 61 C GLY A 7 -4.861 -15.662 1.682 1.00 0.00 C ATOM 62 O GLY A 7 -3.929 -16.377 1.317 1.00 0.00 O ATOM 0 H GLY A 7 -4.091 -13.815 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.591 -16.224 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.250 -15.854 3.320 1.00 0.00 H new ATOM 66 N MET A 8 -5.622 -14.947 0.866 1.00 0.00 N ATOM 67 CA MET A 8 -5.399 -14.960 -0.569 1.00 0.00 C ATOM 68 C MET A 8 -6.057 -13.751 -1.238 1.00 0.00 C ATOM 69 O MET A 8 -6.996 -13.903 -2.018 1.00 0.00 O ATOM 70 CB MET A 8 -5.974 -16.247 -1.163 1.00 0.00 C ATOM 71 CG MET A 8 -7.483 -16.334 -0.928 1.00 0.00 C ATOM 72 SD MET A 8 -7.909 -17.942 -0.282 1.00 0.00 S ATOM 73 CE MET A 8 -7.445 -17.723 1.427 1.00 0.00 C ATOM 0 H MET A 8 -6.394 -14.355 1.172 1.00 0.00 H new ATOM 0 HA MET A 8 -4.325 -14.913 -0.751 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.766 -16.282 -2.232 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.482 -17.110 -0.714 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.796 -15.558 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.016 -16.156 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.080 -18.344 2.059 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.404 -18.015 1.562 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.567 -16.676 1.706 1.00 0.00 H new ATOM 83 N PRO A 9 -5.525 -12.546 -0.899 1.00 0.00 N ATOM 84 CA PRO A 9 -6.050 -11.312 -1.457 1.00 0.00 C ATOM 85 C PRO A 9 -5.608 -11.137 -2.911 1.00 0.00 C ATOM 86 O PRO A 9 -4.581 -11.675 -3.321 1.00 0.00 O ATOM 87 CB PRO A 9 -5.531 -10.214 -0.542 1.00 0.00 C ATOM 88 CG PRO A 9 -4.362 -10.822 0.216 1.00 0.00 C ATOM 89 CD PRO A 9 -4.412 -12.328 0.022 1.00 0.00 C ATOM 0 HA PRO A 9 -7.139 -11.298 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.214 -9.344 -1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.308 -9.877 0.144 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.418 -10.421 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.422 -10.572 1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.476 -12.705 -0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.574 -12.844 0.968 1.00 0.00 H new ATOM 97 N TYR A 10 -6.407 -10.381 -3.652 1.00 0.00 N ATOM 98 CA TYR A 10 -6.111 -10.128 -5.052 1.00 0.00 C ATOM 99 C TYR A 10 -6.962 -8.978 -5.592 1.00 0.00 C ATOM 100 O TYR A 10 -7.968 -8.608 -4.989 1.00 0.00 O ATOM 101 CB TYR A 10 -6.477 -11.412 -5.799 1.00 0.00 C ATOM 102 CG TYR A 10 -5.429 -11.859 -6.819 1.00 0.00 C ATOM 103 CD1 TYR A 10 -4.301 -12.536 -6.399 1.00 0.00 C ATOM 104 CD2 TYR A 10 -5.610 -11.586 -8.160 1.00 0.00 C ATOM 105 CE1 TYR A 10 -3.314 -12.956 -7.360 1.00 0.00 C ATOM 106 CE2 TYR A 10 -4.623 -12.007 -9.120 1.00 0.00 C ATOM 107 CZ TYR A 10 -3.524 -12.671 -8.673 1.00 0.00 C ATOM 108 OH TYR A 10 -2.592 -13.068 -9.580 1.00 0.00 O ATOM 0 H TYR A 10 -7.258 -9.936 -3.309 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.064 -9.854 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.627 -12.212 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.428 -11.264 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.159 -12.750 -5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.492 -11.057 -8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.427 -13.485 -7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.753 -11.800 -10.172 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.874 -12.798 -10.479 1.00 0.00 H new ATOM 118 N VAL A 11 -6.527 -8.443 -6.724 1.00 0.00 N ATOM 119 CA VAL A 11 -7.237 -7.342 -7.353 1.00 0.00 C ATOM 120 C VAL A 11 -7.189 -6.120 -6.434 1.00 0.00 C ATOM 121 O VAL A 11 -8.229 -5.584 -6.053 1.00 0.00 O ATOM 122 CB VAL A 11 -8.663 -7.771 -7.704 1.00 0.00 C ATOM 123 CG1 VAL A 11 -9.474 -6.589 -8.240 1.00 0.00 C ATOM 124 CG2 VAL A 11 -8.657 -8.930 -8.703 1.00 0.00 C ATOM 0 H VAL A 11 -5.692 -8.752 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.756 -7.063 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.143 -8.120 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.484 -6.920 -8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.521 -5.807 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.996 -6.197 -9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.683 -9.215 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.151 -8.620 -9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.133 -9.782 -8.269 1.00 0.00 H new ATOM 134 N ASP A 12 -5.971 -5.714 -6.105 1.00 0.00 N ATOM 135 CA ASP A 12 -5.775 -4.564 -5.238 1.00 0.00 C ATOM 136 C ASP A 12 -4.277 -4.358 -5.005 1.00 0.00 C ATOM 137 O ASP A 12 -3.696 -4.963 -4.104 1.00 0.00 O ATOM 138 CB ASP A 12 -6.440 -4.780 -3.878 1.00 0.00 C ATOM 139 CG ASP A 12 -6.179 -6.146 -3.240 1.00 0.00 C ATOM 140 OD1 ASP A 12 -5.238 -6.821 -3.709 1.00 0.00 O ATOM 141 OD2 ASP A 12 -6.927 -6.484 -2.297 1.00 0.00 O ATOM 0 H ASP A 12 -5.111 -6.160 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.221 -3.695 -5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.095 -4.005 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.516 -4.649 -3.992 1.00 0.00 H new ATOM 146 N ARG A 13 -3.694 -3.502 -5.831 1.00 0.00 N ATOM 147 CA ARG A 13 -2.275 -3.208 -5.725 1.00 0.00 C ATOM 148 C ARG A 13 -1.950 -1.894 -6.438 1.00 0.00 C ATOM 149 O ARG A 13 -1.106 -1.861 -7.332 1.00 0.00 O ATOM 150 CB ARG A 13 -1.433 -4.332 -6.333 1.00 0.00 C ATOM 151 CG ARG A 13 -1.006 -5.337 -5.262 1.00 0.00 C ATOM 152 CD ARG A 13 -1.323 -6.769 -5.697 1.00 0.00 C ATOM 153 NE ARG A 13 -0.069 -7.499 -5.992 1.00 0.00 N ATOM 154 CZ ARG A 13 0.586 -7.424 -7.158 1.00 0.00 C ATOM 155 NH1 ARG A 13 0.111 -6.653 -8.146 1.00 0.00 N ATOM 156 NH2 ARG A 13 1.717 -8.121 -7.337 1.00 0.00 N ATOM 0 H ARG A 13 -4.179 -3.002 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.033 -3.120 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.006 -4.842 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.550 -3.911 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.063 -5.239 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.518 -5.116 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.876 -7.283 -4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.962 -6.756 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 13 0.320 -8.096 -5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.750 -6.123 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.610 -6.596 -9.034 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.079 -8.708 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.216 -8.064 -8.225 1.00 0.00 H new ATOM 170 N GLN A 14 -2.637 -0.843 -6.016 1.00 0.00 N ATOM 171 CA GLN A 14 -2.432 0.470 -6.603 1.00 0.00 C ATOM 172 C GLN A 14 -0.942 0.718 -6.842 1.00 0.00 C ATOM 173 O GLN A 14 -0.567 1.395 -7.798 1.00 0.00 O ATOM 174 CB GLN A 14 -3.036 1.566 -5.721 1.00 0.00 C ATOM 175 CG GLN A 14 -2.467 1.502 -4.302 1.00 0.00 C ATOM 176 CD GLN A 14 -3.333 0.618 -3.403 1.00 0.00 C ATOM 177 OE1 GLN A 14 -4.518 0.847 -3.219 1.00 0.00 O ATOM 178 NE2 GLN A 14 -2.679 -0.401 -2.854 1.00 0.00 N ATOM 0 H GLN A 14 -3.336 -0.874 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.944 0.500 -7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.829 2.544 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.120 1.455 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.450 1.111 -4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.410 2.507 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.687 -0.535 -3.050 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.169 -1.049 -2.237 1.00 0.00 H new ATOM 187 N ASN A 15 -0.132 0.157 -5.957 1.00 0.00 N ATOM 188 CA ASN A 15 1.310 0.309 -6.060 1.00 0.00 C ATOM 189 C ASN A 15 1.662 1.798 -6.077 1.00 0.00 C ATOM 190 O ASN A 15 1.618 2.437 -7.127 1.00 0.00 O ATOM 191 CB ASN A 15 1.839 -0.317 -7.352 1.00 0.00 C ATOM 192 CG ASN A 15 1.633 -1.833 -7.351 1.00 0.00 C ATOM 193 OD1 ASN A 15 1.585 -2.478 -6.316 1.00 0.00 O ATOM 194 ND2 ASN A 15 1.516 -2.364 -8.565 1.00 0.00 N ATOM 0 H ASN A 15 -0.446 -0.404 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 15 1.764 -0.192 -5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.328 0.122 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.899 -0.091 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.377 -3.369 -8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.565 -1.766 -9.390 1.00 0.00 H new ATOM 201 N ARG A 16 2.003 2.306 -4.902 1.00 0.00 N ATOM 202 CA ARG A 16 2.362 3.708 -4.769 1.00 0.00 C ATOM 203 C ARG A 16 1.235 4.597 -5.297 1.00 0.00 C ATOM 204 O ARG A 16 1.110 4.795 -6.505 1.00 0.00 O ATOM 205 CB ARG A 16 3.650 4.021 -5.533 1.00 0.00 C ATOM 206 CG ARG A 16 4.793 4.347 -4.569 1.00 0.00 C ATOM 207 CD ARG A 16 5.722 5.410 -5.160 1.00 0.00 C ATOM 208 NE ARG A 16 7.021 4.802 -5.523 1.00 0.00 N ATOM 209 CZ ARG A 16 7.958 5.414 -6.260 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.744 6.656 -6.718 1.00 0.00 N ATOM 211 NH2 ARG A 16 9.107 4.786 -6.540 1.00 0.00 N ATOM 0 H ARG A 16 2.038 1.772 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 16 2.523 3.910 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.925 3.169 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.484 4.864 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.385 4.701 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.361 3.442 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.262 5.858 -6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.876 6.212 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 16 7.216 3.857 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.869 7.134 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.457 7.123 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.270 3.841 -6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.820 5.253 -7.101 1.00 0.00 H new ATOM 225 N ILE A 17 0.442 5.109 -4.367 1.00 0.00 N ATOM 226 CA ILE A 17 -0.670 5.973 -4.724 1.00 0.00 C ATOM 227 C ILE A 17 -0.271 7.432 -4.497 1.00 0.00 C ATOM 228 O ILE A 17 0.551 7.727 -3.631 1.00 0.00 O ATOM 229 CB ILE A 17 -1.935 5.557 -3.969 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.189 6.093 -4.663 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.864 5.985 -2.502 1.00 0.00 C ATOM 232 CD1 ILE A 17 -3.614 7.436 -4.066 1.00 0.00 C ATOM 0 H ILE A 17 0.548 4.942 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.908 5.869 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.999 4.469 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.997 6.210 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.001 5.373 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.775 5.677 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.003 5.514 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.763 7.069 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.507 7.795 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.829 7.311 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.809 8.160 -4.190 1.00 0.00 H new ATOM 244 N CYS A 18 -0.872 8.307 -5.290 1.00 0.00 N ATOM 245 CA CYS A 18 -0.589 9.728 -5.187 1.00 0.00 C ATOM 246 C CYS A 18 -1.883 10.497 -5.461 1.00 0.00 C ATOM 247 O CYS A 18 -2.835 9.942 -6.007 1.00 0.00 O ATOM 248 CB CYS A 18 0.537 10.151 -6.133 1.00 0.00 C ATOM 249 SG CYS A 18 0.077 9.771 -7.863 1.00 0.00 S ATOM 0 H CYS A 18 -1.554 8.059 -6.007 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.236 9.959 -4.182 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.732 11.218 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.458 9.631 -5.870 1.00 0.00 H new ATOM 0 HG CYS A 18 1.039 10.136 -8.658 1.00 0.00 H new ATOM 255 N GLY A 19 -1.877 11.762 -5.068 1.00 0.00 N ATOM 256 CA GLY A 19 -3.039 12.612 -5.264 1.00 0.00 C ATOM 257 C GLY A 19 -3.011 13.807 -4.309 1.00 0.00 C ATOM 258 O GLY A 19 -2.194 13.854 -3.391 1.00 0.00 O ATOM 0 H GLY A 19 -1.086 12.219 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.065 12.966 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.949 12.034 -5.102 1.00 0.00 H new ATOM 262 N PHE A 20 -3.914 14.745 -4.559 1.00 0.00 N ATOM 263 CA PHE A 20 -4.003 15.936 -3.733 1.00 0.00 C ATOM 264 C PHE A 20 -4.942 15.712 -2.546 1.00 0.00 C ATOM 265 O PHE A 20 -6.112 15.378 -2.730 1.00 0.00 O ATOM 266 CB PHE A 20 -4.572 17.050 -4.614 1.00 0.00 C ATOM 267 CG PHE A 20 -3.506 17.924 -5.277 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.882 17.497 -6.408 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.181 19.129 -4.736 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.893 18.308 -7.024 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.191 19.941 -5.351 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.568 19.513 -6.482 1.00 0.00 C ATOM 0 H PHE A 20 -4.590 14.703 -5.322 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.018 16.190 -3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.195 16.604 -5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.221 17.683 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.139 16.540 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.676 19.469 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.399 17.969 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.933 20.898 -4.921 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.815 20.130 -6.950 1.00 0.00 H new ATOM 282 N LEU A 21 -4.395 15.904 -1.355 1.00 0.00 N ATOM 283 CA LEU A 21 -5.170 15.726 -0.138 1.00 0.00 C ATOM 284 C LEU A 21 -5.112 17.012 0.690 1.00 0.00 C ATOM 285 O LEU A 21 -4.050 17.616 0.832 1.00 0.00 O ATOM 286 CB LEU A 21 -4.698 14.484 0.621 1.00 0.00 C ATOM 287 CG LEU A 21 -4.673 13.180 -0.178 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.136 12.026 0.672 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.051 12.868 -0.763 1.00 0.00 C ATOM 0 H LEU A 21 -3.425 16.181 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.218 15.546 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.694 14.674 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.345 14.344 1.487 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.989 13.307 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.129 11.111 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.121 12.255 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.775 11.889 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.005 11.936 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.775 12.768 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.357 13.677 -1.426 1.00 0.00 H new ATOM 301 N ASP A 22 -6.268 17.392 1.215 1.00 0.00 N ATOM 302 CA ASP A 22 -6.362 18.594 2.025 1.00 0.00 C ATOM 303 C ASP A 22 -6.200 18.224 3.501 1.00 0.00 C ATOM 304 O ASP A 22 -7.174 17.878 4.168 1.00 0.00 O ATOM 305 CB ASP A 22 -7.725 19.268 1.854 1.00 0.00 C ATOM 306 CG ASP A 22 -8.280 19.251 0.428 1.00 0.00 C ATOM 307 OD1 ASP A 22 -8.269 18.154 -0.172 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.703 20.334 -0.029 1.00 0.00 O ATOM 0 H ASP A 22 -7.147 16.889 1.095 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.577 19.279 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.442 18.777 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.646 20.304 2.185 1.00 0.00 H new ATOM 313 N ILE A 23 -4.963 18.309 3.967 1.00 0.00 N ATOM 314 CA ILE A 23 -4.661 17.987 5.351 1.00 0.00 C ATOM 315 C ILE A 23 -4.910 19.219 6.223 1.00 0.00 C ATOM 316 O ILE A 23 -4.319 20.274 5.997 1.00 0.00 O ATOM 317 CB ILE A 23 -3.244 17.423 5.473 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.925 17.049 6.922 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.215 18.396 4.893 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.760 16.060 6.990 1.00 0.00 C ATOM 0 H ILE A 23 -4.158 18.596 3.411 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.324 17.201 5.713 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.189 16.507 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.677 17.948 7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.806 16.611 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.216 17.971 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.432 18.570 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.263 19.341 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.554 15.811 8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.021 15.153 6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.874 16.510 6.543 1.00 0.00 H new ATOM 332 N GLU A 24 -5.786 19.045 7.201 1.00 0.00 N ATOM 333 CA GLU A 24 -6.121 20.130 8.108 1.00 0.00 C ATOM 334 C GLU A 24 -4.868 20.618 8.838 1.00 0.00 C ATOM 335 O GLU A 24 -4.100 19.814 9.366 1.00 0.00 O ATOM 336 CB GLU A 24 -7.202 19.701 9.102 1.00 0.00 C ATOM 337 CG GLU A 24 -8.022 20.903 9.574 1.00 0.00 C ATOM 338 CD GLU A 24 -8.552 20.682 10.992 1.00 0.00 C ATOM 339 OE1 GLU A 24 -8.457 19.527 11.460 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.040 21.673 11.576 1.00 0.00 O ATOM 0 H GLU A 24 -6.274 18.169 7.386 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.521 20.957 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.860 18.968 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.739 19.213 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.405 21.801 9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.856 21.069 8.892 1.00 0.00 H new ATOM 347 N ASP A 25 -4.699 21.932 8.844 1.00 0.00 N ATOM 348 CA ASP A 25 -3.552 22.536 9.500 1.00 0.00 C ATOM 349 C ASP A 25 -4.028 23.345 10.708 1.00 0.00 C ATOM 350 O ASP A 25 -5.229 23.535 10.898 1.00 0.00 O ATOM 351 CB ASP A 25 -2.814 23.487 8.555 1.00 0.00 C ATOM 352 CG ASP A 25 -1.512 24.067 9.109 1.00 0.00 C ATOM 353 OD1 ASP A 25 -0.605 23.256 9.396 1.00 0.00 O ATOM 354 OD2 ASP A 25 -1.452 25.310 9.233 1.00 0.00 O ATOM 0 H ASP A 25 -5.337 22.595 8.405 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.878 21.735 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.593 22.956 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.481 24.310 8.299 1.00 0.00 H new ATOM 359 N ASN A 26 -3.063 23.801 11.493 1.00 0.00 N ATOM 360 CA ASN A 26 -3.369 24.585 12.677 1.00 0.00 C ATOM 361 C ASN A 26 -3.601 26.042 12.273 1.00 0.00 C ATOM 362 O ASN A 26 -3.787 26.906 13.128 1.00 0.00 O ATOM 363 CB ASN A 26 -2.210 24.550 13.676 1.00 0.00 C ATOM 364 CG ASN A 26 -2.606 25.211 14.998 1.00 0.00 C ATOM 365 OD1 ASN A 26 -3.757 25.532 15.241 1.00 0.00 O ATOM 366 ND2 ASN A 26 -1.589 25.396 15.835 1.00 0.00 N ATOM 0 H ASN A 26 -2.068 23.642 11.332 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.259 24.160 13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.912 23.517 13.857 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.345 25.062 13.254 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.749 25.831 16.744 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.649 25.103 15.568 1.00 0.00 H new ATOM 373 N GLU A 27 -3.581 26.271 10.968 1.00 0.00 N ATOM 374 CA GLU A 27 -3.787 27.609 10.439 1.00 0.00 C ATOM 375 C GLU A 27 -5.210 28.084 10.738 1.00 0.00 C ATOM 376 O GLU A 27 -6.047 28.155 9.839 1.00 0.00 O ATOM 377 CB GLU A 27 -3.497 27.655 8.938 1.00 0.00 C ATOM 378 CG GLU A 27 -2.004 27.854 8.673 1.00 0.00 C ATOM 379 CD GLU A 27 -1.701 29.307 8.301 1.00 0.00 C ATOM 380 OE1 GLU A 27 -2.157 30.193 9.055 1.00 0.00 O ATOM 381 OE2 GLU A 27 -1.020 29.498 7.270 1.00 0.00 O ATOM 0 H GLU A 27 -3.425 25.552 10.261 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.088 28.286 10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.832 26.729 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.062 28.466 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.434 27.575 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.683 27.194 7.867 1.00 0.00 H new ATOM 388 N ASN A 28 -5.441 28.398 12.004 1.00 0.00 N ATOM 389 CA ASN A 28 -6.749 28.865 12.433 1.00 0.00 C ATOM 390 C ASN A 28 -7.646 27.661 12.724 1.00 0.00 C ATOM 391 O ASN A 28 -8.867 27.792 12.786 1.00 0.00 O ATOM 392 CB ASN A 28 -7.420 29.702 11.342 1.00 0.00 C ATOM 393 CG ASN A 28 -6.403 30.604 10.640 1.00 0.00 C ATOM 394 OD1 ASN A 28 -5.596 31.275 11.262 1.00 0.00 O ATOM 395 ND2 ASN A 28 -6.487 30.584 9.313 1.00 0.00 N ATOM 0 H ASN A 28 -4.745 28.338 12.747 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.612 29.477 13.325 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.892 29.044 10.613 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.210 30.311 11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.852 31.153 8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.186 29.999 8.855 1.00 0.00 H new ATOM 402 N SER A 29 -7.005 26.514 12.896 1.00 0.00 N ATOM 403 CA SER A 29 -7.729 25.287 13.179 1.00 0.00 C ATOM 404 C SER A 29 -9.024 25.243 12.365 1.00 0.00 C ATOM 405 O SER A 29 -10.081 25.644 12.850 1.00 0.00 O ATOM 406 CB SER A 29 -8.037 25.161 14.673 1.00 0.00 C ATOM 407 OG SER A 29 -6.879 24.821 15.430 1.00 0.00 O ATOM 0 H SER A 29 -5.992 26.409 12.845 1.00 0.00 H new ATOM 0 HA SER A 29 -7.099 24.445 12.893 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.446 26.103 15.039 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.804 24.401 14.822 1.00 0.00 H new ATOM 0 HG SER A 29 -6.095 25.264 15.045 1.00 0.00 H new ATOM 413 N GLY A 30 -8.899 24.754 11.140 1.00 0.00 N ATOM 414 CA GLY A 30 -10.046 24.653 10.254 1.00 0.00 C ATOM 415 C GLY A 30 -9.618 24.758 8.789 1.00 0.00 C ATOM 416 O GLY A 30 -10.184 24.091 7.924 1.00 0.00 O ATOM 0 H GLY A 30 -8.021 24.423 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.556 23.704 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.760 25.444 10.486 1.00 0.00 H new ATOM 420 N LYS A 31 -8.621 25.599 8.555 1.00 0.00 N ATOM 421 CA LYS A 31 -8.110 25.799 7.210 1.00 0.00 C ATOM 422 C LYS A 31 -7.188 24.636 6.841 1.00 0.00 C ATOM 423 O LYS A 31 -6.247 24.329 7.571 1.00 0.00 O ATOM 424 CB LYS A 31 -7.447 27.172 7.088 1.00 0.00 C ATOM 425 CG LYS A 31 -7.542 27.702 5.655 1.00 0.00 C ATOM 426 CD LYS A 31 -8.195 29.085 5.624 1.00 0.00 C ATOM 427 CE LYS A 31 -7.395 30.049 4.746 1.00 0.00 C ATOM 428 NZ LYS A 31 -6.737 31.083 5.577 1.00 0.00 N ATOM 0 H LYS A 31 -8.153 26.150 9.275 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.927 25.800 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.926 27.873 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.401 27.102 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.545 27.757 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.121 27.009 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.213 29.002 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.264 29.482 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.645 29.497 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.056 30.523 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.198 31.729 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.459 31.621 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.091 30.626 6.252 1.00 0.00 H new ATOM 442 N PHE A 32 -7.491 24.020 5.707 1.00 0.00 N ATOM 443 CA PHE A 32 -6.700 22.897 5.232 1.00 0.00 C ATOM 444 C PHE A 32 -5.646 23.356 4.223 1.00 0.00 C ATOM 445 O PHE A 32 -5.874 24.300 3.468 1.00 0.00 O ATOM 446 CB PHE A 32 -7.666 21.932 4.540 1.00 0.00 C ATOM 447 CG PHE A 32 -8.790 21.421 5.444 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.923 22.157 5.601 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.656 20.232 6.090 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.966 21.683 6.440 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.699 19.758 6.928 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.832 20.494 7.086 1.00 0.00 C ATOM 0 H PHE A 32 -8.273 24.277 5.104 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.182 22.426 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.106 22.432 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.102 21.079 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.029 23.101 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.756 19.648 5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.866 22.267 6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.593 18.813 7.440 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.625 20.134 7.725 1.00 0.00 H new ATOM 462 N LEU A 33 -4.515 22.666 4.242 1.00 0.00 N ATOM 463 CA LEU A 33 -3.425 22.992 3.338 1.00 0.00 C ATOM 464 C LEU A 33 -3.380 21.960 2.209 1.00 0.00 C ATOM 465 O LEU A 33 -2.919 20.837 2.408 1.00 0.00 O ATOM 466 CB LEU A 33 -2.109 23.119 4.108 1.00 0.00 C ATOM 467 CG LEU A 33 -1.983 24.339 5.022 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.514 24.708 5.244 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.794 25.517 4.480 1.00 0.00 C ATOM 0 H LEU A 33 -4.330 21.883 4.869 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.591 23.965 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.976 22.222 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.291 23.143 3.388 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.401 24.081 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.452 25.578 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.006 23.869 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.048 24.939 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.687 26.371 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.429 25.785 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.845 25.236 4.416 1.00 0.00 H new ATOM 481 N ARG A 34 -3.864 22.378 1.048 1.00 0.00 N ATOM 482 CA ARG A 34 -3.884 21.504 -0.112 1.00 0.00 C ATOM 483 C ARG A 34 -2.457 21.162 -0.544 1.00 0.00 C ATOM 484 O ARG A 34 -1.673 22.052 -0.870 1.00 0.00 O ATOM 485 CB ARG A 34 -4.620 22.160 -1.282 1.00 0.00 C ATOM 486 CG ARG A 34 -3.940 23.467 -1.695 1.00 0.00 C ATOM 487 CD ARG A 34 -4.916 24.642 -1.611 1.00 0.00 C ATOM 488 NE ARG A 34 -4.377 25.802 -2.356 1.00 0.00 N ATOM 489 CZ ARG A 34 -3.374 26.575 -1.919 1.00 0.00 C ATOM 490 NH1 ARG A 34 -2.796 26.318 -0.738 1.00 0.00 N ATOM 491 NH2 ARG A 34 -2.950 27.607 -2.662 1.00 0.00 N ATOM 0 H ARG A 34 -4.245 23.310 0.886 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.410 20.592 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.645 21.476 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.654 22.357 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.082 23.655 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.559 23.378 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.883 24.352 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.082 24.914 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.796 26.027 -3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.120 25.534 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.032 26.907 -0.405 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.391 27.804 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.186 28.195 -2.329 1.00 0.00 H new ATOM 505 N ARG A 35 -2.163 19.870 -0.533 1.00 0.00 N ATOM 506 CA ARG A 35 -0.843 19.400 -0.919 1.00 0.00 C ATOM 507 C ARG A 35 -0.949 18.049 -1.629 1.00 0.00 C ATOM 508 O ARG A 35 -1.859 17.268 -1.354 1.00 0.00 O ATOM 509 CB ARG A 35 0.070 19.257 0.300 1.00 0.00 C ATOM 510 CG ARG A 35 1.193 20.295 0.269 1.00 0.00 C ATOM 511 CD ARG A 35 0.628 21.716 0.341 1.00 0.00 C ATOM 512 NE ARG A 35 1.554 22.591 1.094 1.00 0.00 N ATOM 513 CZ ARG A 35 1.246 23.825 1.515 1.00 0.00 C ATOM 514 NH1 ARG A 35 0.034 24.337 1.260 1.00 0.00 N ATOM 515 NH2 ARG A 35 2.150 24.547 2.192 1.00 0.00 N ATOM 0 H ARG A 35 -2.816 19.134 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.413 20.138 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.514 19.376 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.497 18.254 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.872 20.127 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.777 20.178 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.480 22.109 -0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.349 21.704 0.825 1.00 0.00 H new ATOM 0 HE ARG A 35 2.485 22.232 1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.654 23.787 0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.200 25.276 1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.072 24.157 2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.916 25.487 2.513 1.00 0.00 H new ATOM 529 N TYR A 36 -0.005 17.814 -2.530 1.00 0.00 N ATOM 530 CA TYR A 36 0.019 16.571 -3.282 1.00 0.00 C ATOM 531 C TYR A 36 0.709 15.462 -2.485 1.00 0.00 C ATOM 532 O TYR A 36 1.935 15.430 -2.392 1.00 0.00 O ATOM 533 CB TYR A 36 0.834 16.858 -4.544 1.00 0.00 C ATOM 534 CG TYR A 36 0.787 15.737 -5.584 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.423 15.343 -6.120 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.953 15.119 -5.986 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.467 14.288 -7.098 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.909 14.063 -6.965 1.00 0.00 C ATOM 539 CZ TYR A 36 0.701 13.700 -7.472 1.00 0.00 C ATOM 540 OH TYR A 36 0.658 12.703 -8.397 1.00 0.00 O ATOM 0 H TYR A 36 0.748 18.464 -2.756 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.994 16.237 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.467 17.778 -5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.872 17.034 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.336 15.826 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.899 15.427 -5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.407 13.970 -7.525 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.814 13.571 -7.289 1.00 0.00 H new ATOM 0 HH TYR A 36 0.167 11.938 -8.031 1.00 0.00 H new ATOM 550 N PHE A 37 -0.109 14.579 -1.931 1.00 0.00 N ATOM 551 CA PHE A 37 0.407 13.471 -1.145 1.00 0.00 C ATOM 552 C PHE A 37 0.861 12.323 -2.048 1.00 0.00 C ATOM 553 O PHE A 37 0.253 12.067 -3.086 1.00 0.00 O ATOM 554 CB PHE A 37 -0.738 12.982 -0.256 1.00 0.00 C ATOM 555 CG PHE A 37 -0.917 13.792 1.030 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.935 15.151 0.980 1.00 0.00 C ATOM 557 CD2 PHE A 37 -1.057 13.153 2.222 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.101 15.903 2.174 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.224 13.905 3.415 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.242 15.264 3.366 1.00 0.00 C ATOM 0 H PHE A 37 -1.125 14.608 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 37 1.266 13.799 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.666 13.015 -0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.561 11.939 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.823 15.658 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.041 12.074 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.115 16.982 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.337 13.397 4.362 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.368 15.836 4.274 1.00 0.00 H new ATOM 570 N ILE A 38 1.927 11.662 -1.621 1.00 0.00 N ATOM 571 CA ILE A 38 2.470 10.547 -2.378 1.00 0.00 C ATOM 572 C ILE A 38 2.754 9.382 -1.429 1.00 0.00 C ATOM 573 O ILE A 38 3.710 9.425 -0.655 1.00 0.00 O ATOM 574 CB ILE A 38 3.690 10.993 -3.187 1.00 0.00 C ATOM 575 CG1 ILE A 38 3.265 11.738 -4.454 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.604 9.806 -3.500 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.346 12.725 -4.899 1.00 0.00 C ATOM 0 H ILE A 38 2.429 11.877 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 38 1.743 10.193 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 38 4.266 11.692 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.070 11.022 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.333 12.272 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.463 10.150 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.948 9.356 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.053 9.065 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.018 13.241 -5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.521 13.454 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.270 12.184 -5.105 1.00 0.00 H new ATOM 589 N LEU A 39 1.908 8.367 -1.519 1.00 0.00 N ATOM 590 CA LEU A 39 2.056 7.191 -0.677 1.00 0.00 C ATOM 591 C LEU A 39 3.207 6.334 -1.205 1.00 0.00 C ATOM 592 O LEU A 39 3.025 5.547 -2.134 1.00 0.00 O ATOM 593 CB LEU A 39 0.728 6.439 -0.569 1.00 0.00 C ATOM 594 CG LEU A 39 0.599 5.473 0.610 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.574 6.230 1.939 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.622 4.565 0.445 1.00 0.00 C ATOM 0 H LEU A 39 1.117 8.334 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 39 2.315 7.481 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.077 7.171 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.575 5.878 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 39 1.479 4.830 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.482 5.520 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.498 6.797 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.275 6.913 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.690 3.888 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.524 5.174 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.523 3.985 -0.472 1.00 0.00 H new ATOM 608 N ASP A 40 4.367 6.514 -0.591 1.00 0.00 N ATOM 609 CA ASP A 40 5.548 5.766 -0.988 1.00 0.00 C ATOM 610 C ASP A 40 5.734 4.576 -0.045 1.00 0.00 C ATOM 611 O ASP A 40 5.970 4.756 1.149 1.00 0.00 O ATOM 612 CB ASP A 40 6.805 6.636 -0.904 1.00 0.00 C ATOM 613 CG ASP A 40 6.550 8.144 -0.923 1.00 0.00 C ATOM 614 OD1 ASP A 40 5.884 8.619 0.023 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.026 8.788 -1.882 1.00 0.00 O ATOM 0 H ASP A 40 4.514 7.167 0.179 1.00 0.00 H new ATOM 0 HA ASP A 40 5.407 5.434 -2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.342 6.385 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.460 6.383 -1.738 1.00 0.00 H new ATOM 620 N THR A 41 5.619 3.386 -0.616 1.00 0.00 N ATOM 621 CA THR A 41 5.771 2.166 0.159 1.00 0.00 C ATOM 622 C THR A 41 7.252 1.872 0.406 1.00 0.00 C ATOM 623 O THR A 41 7.635 1.479 1.507 1.00 0.00 O ATOM 624 CB THR A 41 5.043 1.042 -0.581 1.00 0.00 C ATOM 625 OG1 THR A 41 5.968 0.631 -1.584 1.00 0.00 O ATOM 626 CG2 THR A 41 3.836 1.548 -1.373 1.00 0.00 C ATOM 0 H THR A 41 5.422 3.241 -1.606 1.00 0.00 H new ATOM 0 HA THR A 41 5.323 2.267 1.148 1.00 0.00 H new ATOM 0 HB THR A 41 4.717 0.288 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.577 -0.097 -2.111 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.356 0.710 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.125 2.017 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.166 2.278 -2.113 1.00 0.00 H new ATOM 634 N GLN A 42 8.044 2.074 -0.636 1.00 0.00 N ATOM 635 CA GLN A 42 9.474 1.835 -0.547 1.00 0.00 C ATOM 636 C GLN A 42 10.082 2.668 0.584 1.00 0.00 C ATOM 637 O GLN A 42 10.918 2.178 1.341 1.00 0.00 O ATOM 638 CB GLN A 42 10.165 2.133 -1.879 1.00 0.00 C ATOM 639 CG GLN A 42 9.473 1.401 -3.031 1.00 0.00 C ATOM 640 CD GLN A 42 10.484 0.981 -4.100 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.064 1.796 -4.797 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.661 -0.334 -4.189 1.00 0.00 N ATOM 0 H GLN A 42 7.722 2.401 -1.547 1.00 0.00 H new ATOM 0 HA GLN A 42 9.632 0.780 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.154 3.207 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.211 1.830 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.956 0.521 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.716 2.048 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.143 -0.961 -3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.315 -0.715 -4.872 1.00 0.00 H new ATOM 651 N ALA A 43 9.638 3.914 0.662 1.00 0.00 N ATOM 652 CA ALA A 43 10.127 4.821 1.687 1.00 0.00 C ATOM 653 C ALA A 43 9.404 4.531 3.004 1.00 0.00 C ATOM 654 O ALA A 43 9.937 4.798 4.080 1.00 0.00 O ATOM 655 CB ALA A 43 9.937 6.266 1.223 1.00 0.00 C ATOM 0 H ALA A 43 8.945 4.317 0.032 1.00 0.00 H new ATOM 0 HA ALA A 43 11.193 4.671 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.304 6.946 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.493 6.428 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.878 6.455 1.046 1.00 0.00 H new ATOM 661 N ASN A 44 8.202 3.989 2.876 1.00 0.00 N ATOM 662 CA ASN A 44 7.401 3.661 4.043 1.00 0.00 C ATOM 663 C ASN A 44 7.110 4.939 4.832 1.00 0.00 C ATOM 664 O ASN A 44 7.014 4.907 6.058 1.00 0.00 O ATOM 665 CB ASN A 44 8.144 2.693 4.966 1.00 0.00 C ATOM 666 CG ASN A 44 7.181 2.024 5.949 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.186 1.427 5.573 1.00 0.00 O ATOM 668 ND2 ASN A 44 7.531 2.158 7.225 1.00 0.00 N ATOM 0 H ASN A 44 7.763 3.769 1.982 1.00 0.00 H new ATOM 0 HA ASN A 44 6.478 3.194 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.648 1.932 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.916 3.230 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.953 1.748 7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.378 2.671 7.470 1.00 0.00 H new ATOM 675 N CYS A 45 6.978 6.033 4.097 1.00 0.00 N ATOM 676 CA CYS A 45 6.700 7.319 4.714 1.00 0.00 C ATOM 677 C CYS A 45 5.872 8.152 3.734 1.00 0.00 C ATOM 678 O CYS A 45 6.124 8.134 2.530 1.00 0.00 O ATOM 679 CB CYS A 45 7.986 8.038 5.128 1.00 0.00 C ATOM 680 SG CYS A 45 9.172 6.839 5.838 1.00 0.00 S ATOM 0 H CYS A 45 7.058 6.056 3.080 1.00 0.00 H new ATOM 0 HA CYS A 45 6.133 7.169 5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.430 8.533 4.264 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.759 8.814 5.859 1.00 0.00 H new ATOM 0 HG CYS A 45 9.575 6.025 4.908 1.00 0.00 H new ATOM 686 N LEU A 46 4.899 8.863 4.286 1.00 0.00 N ATOM 687 CA LEU A 46 4.032 9.701 3.476 1.00 0.00 C ATOM 688 C LEU A 46 4.706 11.055 3.247 1.00 0.00 C ATOM 689 O LEU A 46 5.115 11.717 4.200 1.00 0.00 O ATOM 690 CB LEU A 46 2.643 9.804 4.109 1.00 0.00 C ATOM 691 CG LEU A 46 1.538 10.371 3.215 1.00 0.00 C ATOM 692 CD1 LEU A 46 1.992 11.666 2.537 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.065 9.329 2.200 1.00 0.00 C ATOM 0 H LEU A 46 4.692 8.876 5.285 1.00 0.00 H new ATOM 0 HA LEU A 46 3.877 9.252 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.341 8.810 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.717 10.427 5.000 1.00 0.00 H new ATOM 0 HG LEU A 46 0.683 10.619 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.188 12.048 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.241 12.407 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.870 11.467 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.280 9.758 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.903 9.027 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.675 8.458 2.727 1.00 0.00 H new ATOM 705 N LEU A 47 4.800 11.427 1.979 1.00 0.00 N ATOM 706 CA LEU A 47 5.418 12.690 1.614 1.00 0.00 C ATOM 707 C LEU A 47 4.465 13.477 0.712 1.00 0.00 C ATOM 708 O LEU A 47 4.070 12.995 -0.349 1.00 0.00 O ATOM 709 CB LEU A 47 6.797 12.453 0.994 1.00 0.00 C ATOM 710 CG LEU A 47 7.656 11.376 1.661 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.413 10.555 0.616 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.596 11.991 2.699 1.00 0.00 C ATOM 0 H LEU A 47 4.459 10.876 1.192 1.00 0.00 H new ATOM 0 HA LEU A 47 5.594 13.299 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.661 12.184 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.348 13.393 1.013 1.00 0.00 H new ATOM 0 HG LEU A 47 6.995 10.690 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.016 9.797 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.701 10.070 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.063 11.212 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.195 11.205 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.254 12.711 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.010 12.496 3.467 1.00 0.00 H new ATOM 724 N TRP A 48 4.124 14.674 1.165 1.00 0.00 N ATOM 725 CA TRP A 48 3.225 15.532 0.412 1.00 0.00 C ATOM 726 C TRP A 48 4.006 16.777 -0.012 1.00 0.00 C ATOM 727 O TRP A 48 4.732 17.362 0.790 1.00 0.00 O ATOM 728 CB TRP A 48 1.971 15.860 1.225 1.00 0.00 C ATOM 729 CG TRP A 48 2.253 16.618 2.524 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.541 17.918 2.675 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.260 16.065 3.858 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.734 18.242 4.003 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.557 17.080 4.744 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.023 14.752 4.300 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.645 16.887 6.128 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.115 14.576 5.685 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.413 15.587 6.592 1.00 0.00 C ATOM 0 H TRP A 48 4.454 15.070 2.045 1.00 0.00 H new ATOM 0 HA TRP A 48 2.866 15.024 -0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.296 16.454 0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.452 14.932 1.463 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.613 18.623 1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.964 19.165 4.372 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.788 13.943 3.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.879 17.698 6.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.942 13.585 6.077 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.465 15.370 7.649 1.00 0.00 H new ATOM 748 N TYR A 49 3.829 17.146 -1.273 1.00 0.00 N ATOM 749 CA TYR A 49 4.507 18.312 -1.813 1.00 0.00 C ATOM 750 C TYR A 49 3.512 19.432 -2.120 1.00 0.00 C ATOM 751 O TYR A 49 2.386 19.169 -2.541 1.00 0.00 O ATOM 752 CB TYR A 49 5.158 17.852 -3.119 1.00 0.00 C ATOM 753 CG TYR A 49 6.352 16.915 -2.924 1.00 0.00 C ATOM 754 CD1 TYR A 49 6.188 15.720 -2.253 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.592 17.264 -3.419 1.00 0.00 C ATOM 756 CE1 TYR A 49 7.311 14.838 -2.069 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.715 16.382 -3.235 1.00 0.00 C ATOM 758 CZ TYR A 49 8.519 15.212 -2.569 1.00 0.00 C ATOM 759 OH TYR A 49 9.580 14.379 -2.395 1.00 0.00 O ATOM 0 H TYR A 49 3.226 16.658 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 49 5.232 18.701 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.409 17.347 -3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.485 18.729 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.217 15.447 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.720 18.199 -3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.197 13.900 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.691 16.643 -3.617 1.00 0.00 H new ATOM 0 HH TYR A 49 10.377 14.775 -2.805 1.00 0.00 H new ATOM 769 N MET A 50 3.963 20.658 -1.898 1.00 0.00 N ATOM 770 CA MET A 50 3.126 21.820 -2.146 1.00 0.00 C ATOM 771 C MET A 50 2.296 21.637 -3.418 1.00 0.00 C ATOM 772 O MET A 50 1.099 21.917 -3.429 1.00 0.00 O ATOM 773 CB MET A 50 4.006 23.063 -2.284 1.00 0.00 C ATOM 774 CG MET A 50 4.437 23.586 -0.912 1.00 0.00 C ATOM 775 SD MET A 50 4.284 25.363 -0.860 1.00 0.00 S ATOM 776 CE MET A 50 2.524 25.515 -0.598 1.00 0.00 C ATOM 0 H MET A 50 4.897 20.872 -1.549 1.00 0.00 H new ATOM 0 HA MET A 50 2.444 21.939 -1.304 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.887 22.824 -2.879 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.461 23.841 -2.819 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.821 23.137 -0.133 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.468 23.296 -0.711 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.091 26.132 -1.385 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.066 24.526 -0.619 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.339 25.980 0.371 1.00 0.00 H new ATOM 786 N ASP A 51 2.966 21.167 -4.460 1.00 0.00 N ATOM 787 CA ASP A 51 2.306 20.943 -5.735 1.00 0.00 C ATOM 788 C ASP A 51 3.019 19.815 -6.483 1.00 0.00 C ATOM 789 O ASP A 51 4.027 19.292 -6.010 1.00 0.00 O ATOM 790 CB ASP A 51 2.358 22.197 -6.610 1.00 0.00 C ATOM 791 CG ASP A 51 0.994 22.787 -6.977 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.006 22.378 -6.330 1.00 0.00 O ATOM 793 OD2 ASP A 51 0.971 23.633 -7.897 1.00 0.00 O ATOM 0 H ASP A 51 3.959 20.935 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 51 1.266 20.685 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.939 22.960 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.893 21.958 -7.529 1.00 0.00 H new ATOM 798 N ASN A 52 2.468 19.473 -7.638 1.00 0.00 N ATOM 799 CA ASN A 52 3.039 18.417 -8.456 1.00 0.00 C ATOM 800 C ASN A 52 4.554 18.609 -8.546 1.00 0.00 C ATOM 801 O ASN A 52 5.027 19.701 -8.857 1.00 0.00 O ATOM 802 CB ASN A 52 2.473 18.453 -9.877 1.00 0.00 C ATOM 803 CG ASN A 52 1.155 17.682 -9.962 1.00 0.00 C ATOM 804 OD1 ASN A 52 0.080 18.210 -9.727 1.00 0.00 O ATOM 805 ND2 ASN A 52 1.296 16.406 -10.310 1.00 0.00 N ATOM 0 H ASN A 52 1.632 19.909 -8.027 1.00 0.00 H new ATOM 0 HA ASN A 52 2.791 17.462 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.314 19.487 -10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.195 18.023 -10.571 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.475 15.807 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.225 16.027 -10.493 1.00 0.00 H new ATOM 812 N PRO A 53 5.292 17.504 -8.259 1.00 0.00 N ATOM 813 CA PRO A 53 6.744 17.540 -8.305 1.00 0.00 C ATOM 814 C PRO A 53 7.248 17.545 -9.749 1.00 0.00 C ATOM 815 O PRO A 53 8.395 17.905 -10.009 1.00 0.00 O ATOM 816 CB PRO A 53 7.193 16.317 -7.523 1.00 0.00 C ATOM 817 CG PRO A 53 5.988 15.393 -7.467 1.00 0.00 C ATOM 818 CD PRO A 53 4.766 16.194 -7.887 1.00 0.00 C ATOM 0 HA PRO A 53 7.156 18.449 -7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.037 15.829 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.521 16.593 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.131 14.539 -8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.857 14.997 -6.460 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.251 15.722 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.045 16.273 -7.073 1.00 0.00 H new ATOM 826 N GLN A 54 6.366 17.141 -10.651 1.00 0.00 N ATOM 827 CA GLN A 54 6.706 17.094 -12.063 1.00 0.00 C ATOM 828 C GLN A 54 6.866 18.511 -12.618 1.00 0.00 C ATOM 829 O GLN A 54 7.511 18.710 -13.646 1.00 0.00 O ATOM 830 CB GLN A 54 5.658 16.310 -12.854 1.00 0.00 C ATOM 831 CG GLN A 54 4.332 17.072 -12.913 1.00 0.00 C ATOM 832 CD GLN A 54 3.692 16.954 -14.297 1.00 0.00 C ATOM 833 OE1 GLN A 54 4.256 17.346 -15.306 1.00 0.00 O ATOM 834 NE2 GLN A 54 2.486 16.394 -14.290 1.00 0.00 N ATOM 0 H GLN A 54 5.416 16.843 -10.431 1.00 0.00 H new ATOM 0 HA GLN A 54 7.658 16.573 -12.170 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.022 16.127 -13.865 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.501 15.336 -12.391 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.650 16.680 -12.159 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.501 18.122 -12.675 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.071 16.088 -13.410 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.976 16.271 -15.165 1.00 0.00 H new ATOM 843 N ASN A 55 6.267 19.459 -11.913 1.00 0.00 N ATOM 844 CA ASN A 55 6.335 20.852 -12.322 1.00 0.00 C ATOM 845 C ASN A 55 7.358 21.585 -11.453 1.00 0.00 C ATOM 846 O ASN A 55 7.921 22.596 -11.870 1.00 0.00 O ATOM 847 CB ASN A 55 4.982 21.544 -12.145 1.00 0.00 C ATOM 848 CG ASN A 55 4.103 21.354 -13.384 1.00 0.00 C ATOM 849 OD1 ASN A 55 4.502 20.768 -14.376 1.00 0.00 O ATOM 850 ND2 ASN A 55 2.887 21.882 -13.270 1.00 0.00 N ATOM 0 H ASN A 55 5.732 19.290 -11.061 1.00 0.00 H new ATOM 0 HA ASN A 55 6.621 20.881 -13.374 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.475 21.140 -11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.135 22.608 -11.962 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.225 21.809 -14.042 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.617 22.360 -12.410 1.00 0.00 H new ATOM 857 N LEU A 56 7.568 21.047 -10.260 1.00 0.00 N ATOM 858 CA LEU A 56 8.513 21.638 -9.328 1.00 0.00 C ATOM 859 C LEU A 56 9.918 21.586 -9.933 1.00 0.00 C ATOM 860 O LEU A 56 10.083 21.229 -11.098 1.00 0.00 O ATOM 861 CB LEU A 56 8.408 20.965 -7.959 1.00 0.00 C ATOM 862 CG LEU A 56 7.195 21.354 -7.111 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.339 20.841 -5.678 1.00 0.00 C ATOM 864 CD2 LEU A 56 6.956 22.865 -7.158 1.00 0.00 C ATOM 0 H LEU A 56 7.100 20.208 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 56 8.276 22.688 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.391 19.885 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.311 21.195 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 56 6.313 20.874 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.463 21.132 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.424 19.754 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.233 21.271 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.088 23.115 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.833 23.384 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.776 23.173 -8.188 1.00 0.00 H new ATOM 876 N ALA A 57 10.894 21.948 -9.113 1.00 0.00 N ATOM 877 CA ALA A 57 12.279 21.947 -9.551 1.00 0.00 C ATOM 878 C ALA A 57 12.919 20.601 -9.203 1.00 0.00 C ATOM 879 O ALA A 57 12.554 19.975 -8.209 1.00 0.00 O ATOM 880 CB ALA A 57 13.017 23.126 -8.915 1.00 0.00 C ATOM 0 H ALA A 57 10.753 22.244 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 57 12.339 22.070 -10.632 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.056 23.125 -9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.542 24.059 -9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.980 23.036 -7.829 1.00 0.00 H new ATOM 886 N VAL A 58 13.862 20.196 -10.040 1.00 0.00 N ATOM 887 CA VAL A 58 14.557 18.937 -9.833 1.00 0.00 C ATOM 888 C VAL A 58 15.041 18.858 -8.384 1.00 0.00 C ATOM 889 O VAL A 58 14.978 17.799 -7.761 1.00 0.00 O ATOM 890 CB VAL A 58 15.690 18.790 -10.851 1.00 0.00 C ATOM 891 CG1 VAL A 58 16.396 20.128 -11.082 1.00 0.00 C ATOM 892 CG2 VAL A 58 16.684 17.714 -10.413 1.00 0.00 C ATOM 0 H VAL A 58 14.161 20.718 -10.864 1.00 0.00 H new ATOM 0 HA VAL A 58 13.881 18.097 -9.996 1.00 0.00 H new ATOM 0 HB VAL A 58 15.251 18.475 -11.798 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.197 19.996 -11.809 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.679 20.857 -11.460 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.815 20.485 -10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.479 17.630 -11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.114 17.986 -9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 58 16.169 16.758 -10.323 1.00 0.00 H new ATOM 902 N GLY A 59 15.513 19.993 -7.889 1.00 0.00 N ATOM 903 CA GLY A 59 16.007 20.066 -6.525 1.00 0.00 C ATOM 904 C GLY A 59 14.878 20.407 -5.550 1.00 0.00 C ATOM 905 O GLY A 59 15.119 20.991 -4.495 1.00 0.00 O ATOM 0 H GLY A 59 15.564 20.869 -8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.458 19.113 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.790 20.821 -6.458 1.00 0.00 H new ATOM 909 N ALA A 60 13.670 20.026 -5.938 1.00 0.00 N ATOM 910 CA ALA A 60 12.503 20.284 -5.111 1.00 0.00 C ATOM 911 C ALA A 60 12.485 19.299 -3.941 1.00 0.00 C ATOM 912 O ALA A 60 13.406 18.499 -3.784 1.00 0.00 O ATOM 913 CB ALA A 60 11.239 20.194 -5.969 1.00 0.00 C ATOM 0 H ALA A 60 13.474 19.541 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 60 12.543 21.290 -4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.364 20.387 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.288 20.934 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.163 19.197 -6.402 1.00 0.00 H new ATOM 919 N GLY A 61 11.426 19.389 -3.150 1.00 0.00 N ATOM 920 CA GLY A 61 11.275 18.515 -1.998 1.00 0.00 C ATOM 921 C GLY A 61 9.819 18.469 -1.532 1.00 0.00 C ATOM 922 O GLY A 61 8.935 19.014 -2.190 1.00 0.00 O ATOM 0 H GLY A 61 10.664 20.054 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.611 17.510 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.910 18.866 -1.185 1.00 0.00 H new ATOM 926 N ALA A 62 9.614 17.812 -0.400 1.00 0.00 N ATOM 927 CA ALA A 62 8.280 17.687 0.163 1.00 0.00 C ATOM 928 C ALA A 62 8.085 18.753 1.243 1.00 0.00 C ATOM 929 O ALA A 62 8.961 18.959 2.082 1.00 0.00 O ATOM 930 CB ALA A 62 8.084 16.268 0.701 1.00 0.00 C ATOM 0 H ALA A 62 10.350 17.360 0.143 1.00 0.00 H new ATOM 0 HA ALA A 62 7.523 17.852 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.084 16.174 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.204 15.551 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.825 16.067 1.475 1.00 0.00 H new ATOM 936 N VAL A 63 6.931 19.401 1.188 1.00 0.00 N ATOM 937 CA VAL A 63 6.610 20.440 2.152 1.00 0.00 C ATOM 938 C VAL A 63 6.274 19.795 3.498 1.00 0.00 C ATOM 939 O VAL A 63 6.136 20.488 4.505 1.00 0.00 O ATOM 940 CB VAL A 63 5.481 21.322 1.613 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.189 20.520 1.451 1.00 0.00 C ATOM 942 CG2 VAL A 63 5.261 22.541 2.512 1.00 0.00 C ATOM 0 H VAL A 63 6.207 19.227 0.491 1.00 0.00 H new ATOM 0 HA VAL A 63 7.468 21.093 2.310 1.00 0.00 H new ATOM 0 HB VAL A 63 5.778 21.682 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.403 21.170 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.355 19.700 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.887 20.118 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.454 23.151 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.996 22.210 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.176 23.132 2.554 1.00 0.00 H new ATOM 952 N GLY A 64 6.152 18.476 3.472 1.00 0.00 N ATOM 953 CA GLY A 64 5.835 17.730 4.678 1.00 0.00 C ATOM 954 C GLY A 64 6.068 16.232 4.473 1.00 0.00 C ATOM 955 O GLY A 64 6.171 15.765 3.339 1.00 0.00 O ATOM 0 H GLY A 64 6.267 17.905 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.450 18.088 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.796 17.905 4.956 1.00 0.00 H new ATOM 959 N SER A 65 6.144 15.519 5.587 1.00 0.00 N ATOM 960 CA SER A 65 6.363 14.084 5.544 1.00 0.00 C ATOM 961 C SER A 65 5.753 13.424 6.782 1.00 0.00 C ATOM 962 O SER A 65 5.606 14.064 7.822 1.00 0.00 O ATOM 963 CB SER A 65 7.854 13.756 5.448 1.00 0.00 C ATOM 964 OG SER A 65 8.558 14.122 6.632 1.00 0.00 O ATOM 0 H SER A 65 6.058 15.909 6.526 1.00 0.00 H new ATOM 0 HA SER A 65 5.875 13.691 4.652 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.980 12.689 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.286 14.277 4.594 1.00 0.00 H new ATOM 0 HG SER A 65 9.506 13.895 6.532 1.00 0.00 H new ATOM 970 N LEU A 66 5.414 12.152 6.630 1.00 0.00 N ATOM 971 CA LEU A 66 4.823 11.399 7.723 1.00 0.00 C ATOM 972 C LEU A 66 5.322 9.953 7.668 1.00 0.00 C ATOM 973 O LEU A 66 4.991 9.213 6.743 1.00 0.00 O ATOM 974 CB LEU A 66 3.299 11.525 7.698 1.00 0.00 C ATOM 975 CG LEU A 66 2.668 12.265 8.880 1.00 0.00 C ATOM 976 CD1 LEU A 66 1.149 12.363 8.717 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.061 11.614 10.207 1.00 0.00 C ATOM 0 H LEU A 66 5.537 11.624 5.766 1.00 0.00 H new ATOM 0 HA LEU A 66 5.138 11.809 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.011 12.036 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.872 10.523 7.652 1.00 0.00 H new ATOM 0 HG LEU A 66 3.057 13.283 8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.725 12.893 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.916 12.905 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.723 11.361 8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.599 12.159 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.719 10.579 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.145 11.639 10.318 1.00 0.00 H new ATOM 989 N GLN A 67 6.109 9.594 8.671 1.00 0.00 N ATOM 990 CA GLN A 67 6.656 8.250 8.749 1.00 0.00 C ATOM 991 C GLN A 67 5.548 7.243 9.061 1.00 0.00 C ATOM 992 O GLN A 67 4.875 7.353 10.085 1.00 0.00 O ATOM 993 CB GLN A 67 7.776 8.174 9.789 1.00 0.00 C ATOM 994 CG GLN A 67 8.829 9.255 9.542 1.00 0.00 C ATOM 995 CD GLN A 67 9.835 8.808 8.480 1.00 0.00 C ATOM 996 OE1 GLN A 67 10.425 7.742 8.556 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.998 9.679 7.488 1.00 0.00 N ATOM 0 H GLN A 67 6.381 10.210 9.437 1.00 0.00 H new ATOM 0 HA GLN A 67 7.087 7.997 7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.357 8.291 10.789 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.244 7.190 9.753 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.342 10.176 9.222 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.352 9.478 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.473 10.553 7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.648 9.473 6.730 1.00 0.00 H new ATOM 1006 N LEU A 68 5.392 6.284 8.160 1.00 0.00 N ATOM 1007 CA LEU A 68 4.377 5.258 8.327 1.00 0.00 C ATOM 1008 C LEU A 68 4.541 4.603 9.699 1.00 0.00 C ATOM 1009 O LEU A 68 3.561 4.175 10.307 1.00 0.00 O ATOM 1010 CB LEU A 68 4.421 4.267 7.162 1.00 0.00 C ATOM 1011 CG LEU A 68 4.093 4.838 5.782 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.067 3.734 4.723 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.785 5.632 5.814 1.00 0.00 C ATOM 0 H LEU A 68 5.952 6.196 7.312 1.00 0.00 H new ATOM 0 HA LEU A 68 3.381 5.699 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.417 3.827 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.723 3.457 7.373 1.00 0.00 H new ATOM 0 HG LEU A 68 4.885 5.533 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.831 4.168 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.043 3.250 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.308 2.996 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.575 6.027 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.970 4.978 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.877 6.457 6.520 1.00 0.00 H new ATOM 1025 N THR A 69 5.786 4.545 10.147 1.00 0.00 N ATOM 1026 CA THR A 69 6.091 3.949 11.437 1.00 0.00 C ATOM 1027 C THR A 69 5.061 4.383 12.482 1.00 0.00 C ATOM 1028 O THR A 69 4.749 3.629 13.402 1.00 0.00 O ATOM 1029 CB THR A 69 7.526 4.328 11.806 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.709 5.612 11.215 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.563 3.445 11.107 1.00 0.00 C ATOM 0 H THR A 69 6.596 4.901 9.640 1.00 0.00 H new ATOM 0 HA THR A 69 6.027 2.862 11.395 1.00 0.00 H new ATOM 0 HB THR A 69 7.655 4.254 12.886 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.609 5.941 11.420 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.565 3.756 11.403 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.407 2.405 11.392 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.457 3.545 10.027 1.00 0.00 H new ATOM 1039 N TYR A 70 4.560 5.597 12.304 1.00 0.00 N ATOM 1040 CA TYR A 70 3.572 6.141 13.220 1.00 0.00 C ATOM 1041 C TYR A 70 2.179 5.584 12.917 1.00 0.00 C ATOM 1042 O TYR A 70 1.552 4.968 13.778 1.00 0.00 O ATOM 1043 CB TYR A 70 3.565 7.653 12.985 1.00 0.00 C ATOM 1044 CG TYR A 70 4.733 8.390 13.645 1.00 0.00 C ATOM 1045 CD1 TYR A 70 6.006 7.862 13.580 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.512 9.582 14.304 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.105 8.556 14.201 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.610 10.276 14.925 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.853 9.728 14.843 1.00 0.00 C ATOM 1050 OH TYR A 70 7.890 10.384 15.429 1.00 0.00 O ATOM 0 H TYR A 70 4.820 6.219 11.539 1.00 0.00 H new ATOM 0 HA TYR A 70 3.818 5.879 14.249 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.588 7.844 11.912 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.629 8.065 13.362 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.178 6.929 13.064 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.515 9.994 14.354 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.107 8.155 14.158 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.451 11.210 15.444 1.00 0.00 H new ATOM 0 HH TYR A 70 7.562 11.206 15.849 1.00 0.00 H new ATOM 1060 N ILE A 71 1.736 5.820 11.691 1.00 0.00 N ATOM 1061 CA ILE A 71 0.429 5.350 11.264 1.00 0.00 C ATOM 1062 C ILE A 71 0.235 3.905 11.729 1.00 0.00 C ATOM 1063 O ILE A 71 1.153 3.092 11.641 1.00 0.00 O ATOM 1064 CB ILE A 71 0.258 5.539 9.756 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.266 7.023 9.384 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.000 4.828 9.253 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.555 7.398 8.651 1.00 0.00 C ATOM 0 H ILE A 71 2.259 6.331 10.980 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.359 5.943 11.727 1.00 0.00 H new ATOM 0 HB ILE A 71 1.110 5.078 9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.594 7.248 8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.167 7.628 10.285 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.098 4.978 8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.924 3.761 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.875 5.237 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.535 8.458 8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.411 7.195 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.639 6.809 7.738 1.00 0.00 H new ATOM 1079 N SER A 72 -0.967 3.630 12.215 1.00 0.00 N ATOM 1080 CA SER A 72 -1.294 2.298 12.694 1.00 0.00 C ATOM 1081 C SER A 72 -2.534 1.771 11.970 1.00 0.00 C ATOM 1082 O SER A 72 -2.575 0.610 11.567 1.00 0.00 O ATOM 1083 CB SER A 72 -1.522 2.297 14.207 1.00 0.00 C ATOM 1084 OG SER A 72 -0.322 2.565 14.928 1.00 0.00 O ATOM 0 H SER A 72 -1.726 4.307 12.287 1.00 0.00 H new ATOM 0 HA SER A 72 -0.450 1.642 12.481 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.272 3.046 14.461 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.920 1.330 14.513 1.00 0.00 H new ATOM 0 HG SER A 72 0.154 3.311 14.506 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.515 2.650 11.827 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.753 2.288 11.159 1.00 0.00 C ATOM 1092 C LYS A 73 -5.291 3.502 10.398 1.00 0.00 C ATOM 1093 O LYS A 73 -5.084 4.641 10.813 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.749 1.699 12.159 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.178 1.766 11.615 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.028 0.618 12.163 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.591 0.963 13.543 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.208 -0.070 14.532 1.00 0.00 N ATOM 0 H LYS A 73 -3.477 3.612 12.163 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.573 1.504 10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.486 0.663 12.372 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.689 2.244 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.630 2.720 11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.159 1.721 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.846 0.406 11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.424 -0.287 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.218 1.936 13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.677 1.040 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.598 0.179 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.585 -0.992 14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.171 -0.124 14.594 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.971 3.216 9.297 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.540 4.270 8.475 1.00 0.00 C ATOM 1114 C VAL A 74 -8.024 3.982 8.238 1.00 0.00 C ATOM 1115 O VAL A 74 -8.374 3.195 7.360 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.743 4.408 7.176 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.251 5.587 6.343 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.246 4.544 7.463 1.00 0.00 C ATOM 0 H VAL A 74 -6.140 2.270 8.955 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.473 5.231 8.986 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.891 3.498 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.667 5.662 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.301 5.431 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.147 6.509 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.703 4.641 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.072 5.429 8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.896 3.660 7.995 1.00 0.00 H new ATOM 1128 N SER A 75 -8.855 4.634 9.037 1.00 0.00 N ATOM 1129 CA SER A 75 -10.293 4.457 8.926 1.00 0.00 C ATOM 1130 C SER A 75 -10.948 5.766 8.480 1.00 0.00 C ATOM 1131 O SER A 75 -10.328 6.827 8.541 1.00 0.00 O ATOM 1132 CB SER A 75 -10.895 3.987 10.252 1.00 0.00 C ATOM 1133 OG SER A 75 -12.314 3.873 10.184 1.00 0.00 O ATOM 0 H SER A 75 -8.560 5.286 9.764 1.00 0.00 H new ATOM 0 HA SER A 75 -10.486 3.688 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.466 3.022 10.523 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.625 4.688 11.041 1.00 0.00 H new ATOM 0 HG SER A 75 -12.660 3.569 11.049 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.193 5.649 8.042 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.939 6.809 7.587 1.00 0.00 C ATOM 1141 C ILE A 76 -13.376 7.637 8.798 1.00 0.00 C ATOM 1142 O ILE A 76 -13.959 7.104 9.740 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.098 6.381 6.684 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.611 5.455 5.569 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.843 7.599 6.134 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.413 6.061 4.836 1.00 0.00 C ATOM 0 H ILE A 76 -12.704 4.768 7.993 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.307 7.451 6.973 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.808 5.814 7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.333 4.489 5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.421 5.274 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.662 7.267 5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.243 8.185 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.156 8.214 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.087 5.382 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.701 7.016 4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.596 6.218 5.541 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.077 8.926 8.732 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.431 9.832 9.811 1.00 0.00 C ATOM 1160 C ALA A 77 -14.916 9.670 10.141 1.00 0.00 C ATOM 1161 O ALA A 77 -15.648 9.003 9.411 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.076 11.266 9.411 1.00 0.00 C ATOM 0 H ALA A 77 -12.594 9.364 7.948 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.865 9.595 10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.342 11.946 10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.006 11.335 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.627 11.540 8.512 1.00 0.00 H new ATOM 1168 N THR A 78 -15.316 10.290 11.241 1.00 0.00 N ATOM 1169 CA THR A 78 -16.701 10.222 11.676 1.00 0.00 C ATOM 1170 C THR A 78 -17.282 11.630 11.826 1.00 0.00 C ATOM 1171 O THR A 78 -16.541 12.609 11.875 1.00 0.00 O ATOM 1172 CB THR A 78 -16.751 9.404 12.968 1.00 0.00 C ATOM 1173 OG1 THR A 78 -15.973 10.162 13.890 1.00 0.00 O ATOM 1174 CG2 THR A 78 -16.000 8.076 12.849 1.00 0.00 C ATOM 0 H THR A 78 -14.706 10.842 11.844 1.00 0.00 H new ATOM 0 HA THR A 78 -17.325 9.724 10.934 1.00 0.00 H new ATOM 0 HB THR A 78 -17.790 9.211 13.235 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.954 9.704 14.756 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.066 7.535 13.793 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.445 7.476 12.055 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.953 8.270 12.615 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.639 11.686 11.897 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.329 12.957 12.040 1.00 0.00 C ATOM 1184 C PRO A 79 -19.198 13.495 13.466 1.00 0.00 C ATOM 1185 O PRO A 79 -19.680 14.585 13.770 1.00 0.00 O ATOM 1186 CB PRO A 79 -20.768 12.671 11.643 1.00 0.00 C ATOM 1187 CG PRO A 79 -20.935 11.164 11.740 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.550 10.547 11.842 1.00 0.00 C ATOM 0 HA PRO A 79 -18.904 13.739 11.410 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.465 13.185 12.305 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -20.971 13.022 10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.535 10.902 12.612 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.460 10.781 10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.459 9.924 12.732 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.336 9.910 10.984 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.543 12.704 14.304 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.342 13.087 15.692 1.00 0.00 C ATOM 1198 C LYS A 80 -16.935 13.665 15.859 1.00 0.00 C ATOM 1199 O LYS A 80 -16.594 14.178 16.923 1.00 0.00 O ATOM 1200 CB LYS A 80 -18.637 11.907 16.620 1.00 0.00 C ATOM 1201 CG LYS A 80 -19.896 12.164 17.450 1.00 0.00 C ATOM 1202 CD LYS A 80 -21.117 11.494 16.816 1.00 0.00 C ATOM 1203 CE LYS A 80 -22.309 12.452 16.777 1.00 0.00 C ATOM 1204 NZ LYS A 80 -23.314 11.989 15.794 1.00 0.00 N ATOM 0 H LYS A 80 -18.145 11.800 14.049 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.044 13.871 15.977 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.765 10.999 16.030 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.788 11.740 17.283 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.753 11.784 18.462 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -20.068 13.237 17.534 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.874 11.169 15.804 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -21.382 10.601 17.383 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -22.763 12.518 17.766 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -21.969 13.454 16.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -24.116 12.650 15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -22.882 11.949 14.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -23.651 11.042 16.061 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.157 13.562 14.791 1.00 0.00 N ATOM 1219 CA GLN A 81 -14.795 14.068 14.806 1.00 0.00 C ATOM 1220 C GLN A 81 -14.661 15.259 13.855 1.00 0.00 C ATOM 1221 O GLN A 81 -14.273 16.350 14.271 1.00 0.00 O ATOM 1222 CB GLN A 81 -13.797 12.966 14.448 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.473 12.102 15.669 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.396 11.066 15.338 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -11.499 11.298 14.544 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -12.536 9.915 15.988 1.00 0.00 N ATOM 0 H GLN A 81 -16.444 13.136 13.910 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.565 14.407 15.816 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.208 12.342 13.655 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.881 13.412 14.060 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.133 12.736 16.488 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.376 11.596 16.011 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.311 9.788 16.639 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.869 9.159 15.836 1.00 0.00 H new ATOM 1235 N LYS A 82 -14.990 15.010 12.596 1.00 0.00 N ATOM 1236 CA LYS A 82 -14.911 16.048 11.582 1.00 0.00 C ATOM 1237 C LYS A 82 -15.955 15.776 10.497 1.00 0.00 C ATOM 1238 O LYS A 82 -15.638 15.205 9.455 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.483 16.166 11.046 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.726 17.298 11.743 1.00 0.00 C ATOM 1241 CD LYS A 82 -13.129 18.659 11.173 1.00 0.00 C ATOM 1242 CE LYS A 82 -11.897 19.521 10.888 1.00 0.00 C ATOM 1243 NZ LYS A 82 -12.300 20.850 10.378 1.00 0.00 N ATOM 0 H LYS A 82 -15.312 14.104 12.255 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.146 17.021 12.014 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.955 15.224 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.508 16.348 9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.931 17.273 12.813 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.653 17.152 11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.699 18.518 10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.782 19.174 11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.309 19.638 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.259 19.023 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.899 20.994 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.337 20.902 10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.947 21.589 11.019 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.211 16.210 10.787 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.303 16.019 9.848 1.00 0.00 C ATOM 1259 C PRO A 83 -18.197 16.999 8.677 1.00 0.00 C ATOM 1260 O PRO A 83 -17.169 17.650 8.499 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.567 16.211 10.671 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.139 16.956 11.925 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.623 16.891 12.011 1.00 0.00 C ATOM 0 HA PRO A 83 -18.292 15.033 9.384 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.313 16.779 10.115 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.019 15.251 10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.475 17.992 11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.591 16.507 12.809 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.187 17.888 12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.300 16.344 12.897 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.275 17.072 7.910 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.316 17.961 6.761 1.00 0.00 C ATOM 1273 C LYS A 84 -18.310 17.481 5.714 1.00 0.00 C ATOM 1274 O LYS A 84 -17.924 18.239 4.825 1.00 0.00 O ATOM 1275 CB LYS A 84 -19.104 19.412 7.199 1.00 0.00 C ATOM 1276 CG LYS A 84 -19.715 19.663 8.579 1.00 0.00 C ATOM 1277 CD LYS A 84 -20.349 21.054 8.653 1.00 0.00 C ATOM 1278 CE LYS A 84 -19.312 22.108 9.046 1.00 0.00 C ATOM 1279 NZ LYS A 84 -18.286 22.247 7.988 1.00 0.00 N ATOM 0 H LYS A 84 -20.126 16.531 8.061 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.300 17.934 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.038 19.636 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.555 20.085 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.468 18.904 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.945 19.569 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -20.786 21.310 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.162 21.049 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.804 23.066 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.837 21.827 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.873 23.201 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.538 21.540 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.725 22.098 7.057 1.00 0.00 H new ATOM 1293 N THR A 85 -17.913 16.225 5.853 1.00 0.00 N ATOM 1294 CA THR A 85 -16.958 15.635 4.929 1.00 0.00 C ATOM 1295 C THR A 85 -17.438 14.254 4.476 1.00 0.00 C ATOM 1296 O THR A 85 -17.571 13.341 5.290 1.00 0.00 O ATOM 1297 CB THR A 85 -15.591 15.608 5.616 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.814 14.851 6.803 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.165 16.986 6.126 1.00 0.00 C ATOM 0 H THR A 85 -18.235 15.599 6.591 1.00 0.00 H new ATOM 0 HA THR A 85 -16.869 16.228 4.019 1.00 0.00 H new ATOM 0 HB THR A 85 -14.842 15.232 4.919 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.613 15.404 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.189 16.911 6.605 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.106 17.682 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.896 17.349 6.848 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.692 14.143 3.145 1.00 0.00 N ATOM 1308 CA PRO A 86 -18.154 12.889 2.573 1.00 0.00 C ATOM 1309 C PRO A 86 -17.011 11.877 2.476 1.00 0.00 C ATOM 1310 O PRO A 86 -17.003 10.874 3.187 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.733 13.264 1.219 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.158 14.631 0.883 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.546 15.203 2.152 1.00 0.00 C ATOM 0 HA PRO A 86 -18.906 12.397 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.461 12.529 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.822 13.297 1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.404 14.546 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.938 15.291 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.498 15.464 2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.060 16.112 2.465 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.073 12.175 1.589 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.928 11.304 1.389 1.00 0.00 C ATOM 1323 C PHE A 87 -13.712 11.808 2.169 1.00 0.00 C ATOM 1324 O PHE A 87 -12.791 12.380 1.588 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.605 11.326 -0.107 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.813 11.614 -1.000 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.738 10.643 -1.226 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.961 12.840 -1.569 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.859 10.910 -2.055 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.082 13.107 -2.399 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.008 12.136 -2.624 1.00 0.00 C ATOM 0 H PHE A 87 -16.083 13.008 1.001 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.160 10.299 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.841 12.081 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.178 10.364 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.620 9.669 -0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.226 13.611 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.594 10.139 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.199 14.081 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.861 12.339 -3.254 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.749 11.578 3.473 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.662 12.001 4.339 1.00 0.00 C ATOM 1343 C CYS A 88 -12.240 10.809 5.200 1.00 0.00 C ATOM 1344 O CYS A 88 -13.087 10.084 5.720 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.056 13.209 5.192 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.332 14.735 4.487 1.00 0.00 S ATOM 0 H CYS A 88 -14.515 11.104 3.951 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.817 12.326 3.732 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.142 13.297 5.233 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.708 13.071 6.216 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.041 14.713 4.639 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.932 10.642 5.323 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.388 9.550 6.112 1.00 0.00 C ATOM 1354 C PHE A 89 -9.434 10.073 7.188 1.00 0.00 C ATOM 1355 O PHE A 89 -8.734 11.061 6.975 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.609 8.649 5.151 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.355 9.301 4.564 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.207 9.344 5.292 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.389 9.838 3.315 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.044 9.949 4.748 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.225 10.443 2.771 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.077 10.486 3.499 1.00 0.00 C ATOM 0 H PHE A 89 -10.233 11.245 4.889 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.195 9.013 6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.321 7.739 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.267 8.351 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.180 8.918 6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.301 9.804 2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.132 9.983 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.251 10.869 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.192 10.946 3.085 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.437 9.385 8.320 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.581 9.768 9.430 1.00 0.00 C ATOM 1374 C VAL A 90 -7.447 8.750 9.568 1.00 0.00 C ATOM 1375 O VAL A 90 -7.696 7.553 9.708 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.412 9.914 10.707 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.545 9.713 11.951 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.123 11.268 10.746 1.00 0.00 C ATOM 0 H VAL A 90 -10.018 8.565 8.493 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.125 10.740 9.243 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.175 9.135 10.702 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.160 9.822 12.844 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.107 8.715 11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.750 10.458 11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.706 11.346 11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.384 12.068 10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.786 11.356 9.886 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.226 9.263 9.525 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.053 8.413 9.643 1.00 0.00 C ATOM 1390 C ILE A 91 -4.736 8.193 11.124 1.00 0.00 C ATOM 1391 O ILE A 91 -4.226 9.090 11.793 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.886 8.996 8.844 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.014 8.656 7.358 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.544 8.543 9.423 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -2.980 9.420 6.530 1.00 0.00 C ATOM 0 H ILE A 91 -6.024 10.256 9.410 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.247 7.432 9.209 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.923 10.082 8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.880 7.584 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.017 8.902 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.731 8.972 8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.462 8.879 10.457 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.482 7.455 9.389 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.093 9.160 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.132 10.492 6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.977 9.153 6.864 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.051 6.994 11.592 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.806 6.644 12.980 1.00 0.00 C ATOM 1409 C ASN A 92 -3.338 6.247 13.151 1.00 0.00 C ATOM 1410 O ASN A 92 -2.846 5.361 12.454 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.669 5.457 13.410 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.547 5.822 14.609 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.073 6.219 15.660 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.850 5.667 14.392 1.00 0.00 N ATOM 0 H ASN A 92 -5.474 6.253 11.034 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.053 7.510 13.594 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.298 5.140 12.578 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.030 4.612 13.667 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.519 5.885 15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.180 5.330 13.488 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.679 6.923 14.080 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.278 6.653 14.351 1.00 0.00 C ATOM 1423 C ALA A 93 -1.087 6.428 15.852 1.00 0.00 C ATOM 1424 O ALA A 93 -1.932 5.817 16.504 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.423 7.806 13.821 1.00 0.00 C ATOM 0 H ALA A 93 -3.090 7.658 14.655 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.956 5.747 13.838 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.628 7.603 14.025 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.572 7.905 12.746 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.716 8.733 14.315 1.00 0.00 H new ATOM 1431 N LEU A 94 0.029 6.933 16.357 1.00 0.00 N ATOM 1432 CA LEU A 94 0.342 6.795 17.769 1.00 0.00 C ATOM 1433 C LEU A 94 -0.937 6.973 18.590 1.00 0.00 C ATOM 1434 O LEU A 94 -1.518 5.997 19.061 1.00 0.00 O ATOM 1435 CB LEU A 94 1.466 7.754 18.165 1.00 0.00 C ATOM 1436 CG LEU A 94 2.546 7.995 17.108 1.00 0.00 C ATOM 1437 CD1 LEU A 94 2.851 6.711 16.333 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.157 9.146 16.179 1.00 0.00 C ATOM 0 H LEU A 94 0.728 7.439 15.813 1.00 0.00 H new ATOM 0 HA LEU A 94 0.720 5.794 17.980 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.022 8.714 18.427 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.946 7.368 19.065 1.00 0.00 H new ATOM 0 HG LEU A 94 3.463 8.289 17.618 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.622 6.910 15.588 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.203 5.944 17.023 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.946 6.363 15.835 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.942 9.296 15.437 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.222 8.906 15.674 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.030 10.058 16.763 1.00 0.00 H new ATOM 1450 N SER A 95 -1.337 8.228 18.736 1.00 0.00 N ATOM 1451 CA SER A 95 -2.536 8.547 19.492 1.00 0.00 C ATOM 1452 C SER A 95 -3.175 9.825 18.945 1.00 0.00 C ATOM 1453 O SER A 95 -3.807 10.575 19.687 1.00 0.00 O ATOM 1454 CB SER A 95 -2.223 8.706 20.981 1.00 0.00 C ATOM 1455 OG SER A 95 -1.768 7.488 21.564 1.00 0.00 O ATOM 0 H SER A 95 -0.852 9.035 18.344 1.00 0.00 H new ATOM 0 HA SER A 95 -3.239 7.721 19.382 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.463 9.476 21.111 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.116 9.047 21.505 1.00 0.00 H new ATOM 0 HG SER A 95 -1.577 7.631 22.515 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.988 10.034 17.650 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.539 11.208 16.994 1.00 0.00 C ATOM 1463 C GLN A 96 -4.395 10.795 15.796 1.00 0.00 C ATOM 1464 O GLN A 96 -4.465 9.615 15.456 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.427 12.170 16.568 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.530 13.496 17.324 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.419 14.458 16.898 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.516 14.113 16.153 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.536 15.680 17.410 1.00 0.00 N ATOM 0 H GLN A 96 -2.463 9.410 17.037 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.176 11.733 17.706 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.455 11.714 16.757 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.491 12.353 15.495 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.502 13.951 17.136 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.466 13.313 18.397 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.317 15.902 18.027 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.845 16.395 17.185 1.00 0.00 H new ATOM 1478 N ARG A 97 -5.026 11.789 15.188 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.875 11.544 14.035 1.00 0.00 C ATOM 1480 C ARG A 97 -5.768 12.702 13.041 1.00 0.00 C ATOM 1481 O ARG A 97 -6.237 13.805 13.316 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.336 11.373 14.453 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.694 12.324 15.597 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.961 13.119 15.272 1.00 0.00 C ATOM 1485 NE ARG A 97 -9.597 13.590 16.523 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.117 14.584 17.282 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -7.993 15.219 16.922 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.760 14.944 18.400 1.00 0.00 N ATOM 0 H ARG A 97 -4.966 12.767 15.473 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.534 10.623 13.563 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.987 11.564 13.600 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.511 10.343 14.763 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.843 11.755 16.515 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.866 13.010 15.777 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.714 13.970 14.637 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.658 12.496 14.712 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.455 13.129 16.826 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.503 14.945 16.070 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.627 15.976 17.500 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.616 14.461 18.674 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.394 15.701 18.978 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.149 12.411 11.906 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.975 13.415 10.870 1.00 0.00 C ATOM 1504 C TYR A 98 -6.191 13.462 9.943 1.00 0.00 C ATOM 1505 O TYR A 98 -6.595 12.440 9.390 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.750 12.980 10.063 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.421 13.168 10.799 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.803 14.402 10.802 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.841 12.104 11.459 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.553 14.579 11.494 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.591 12.281 12.151 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.009 13.510 12.134 1.00 0.00 C ATOM 1513 OH TYR A 98 1.172 13.677 12.788 1.00 0.00 O ATOM 0 H TYR A 98 -4.762 11.494 11.681 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.856 14.405 11.311 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.859 11.929 9.794 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.721 13.546 9.132 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.257 15.235 10.285 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.325 11.138 11.456 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.059 15.539 11.504 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.126 11.457 12.672 1.00 0.00 H new ATOM 0 HH TYR A 98 1.441 12.829 13.200 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.740 14.659 9.801 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.902 14.853 8.950 1.00 0.00 C ATOM 1525 C PHE A 99 -7.487 15.326 7.555 1.00 0.00 C ATOM 1526 O PHE A 99 -6.973 16.432 7.398 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.762 15.934 9.607 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.436 15.489 10.907 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -9.979 14.246 11.000 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.491 16.336 11.969 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.604 13.833 12.206 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.116 15.923 13.176 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.660 14.680 13.268 1.00 0.00 C ATOM 0 H PHE A 99 -6.402 15.504 10.261 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.444 13.913 8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.139 16.804 9.812 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.530 16.251 8.902 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.935 13.573 10.157 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.059 17.323 11.895 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.035 12.846 12.280 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.159 16.596 14.020 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.137 14.366 14.185 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.728 14.465 6.578 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.386 14.780 5.201 1.00 0.00 C ATOM 1545 C LEU A 100 -8.645 14.698 4.336 1.00 0.00 C ATOM 1546 O LEU A 100 -9.611 14.032 4.702 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.245 13.885 4.714 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.022 13.798 5.629 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.220 12.733 6.709 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.746 13.563 4.818 1.00 0.00 C ATOM 0 H LEU A 100 -8.156 13.549 6.712 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.013 15.801 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.637 12.878 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.919 14.245 3.738 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.907 14.755 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.336 12.692 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.091 12.985 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.374 11.762 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.892 13.505 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.834 12.629 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.602 14.387 4.120 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.592 15.386 3.204 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.716 15.399 2.284 1.00 0.00 C ATOM 1564 C GLN A 101 -9.279 14.902 0.905 1.00 0.00 C ATOM 1565 O GLN A 101 -8.218 15.281 0.412 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.333 16.796 2.193 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.750 16.734 1.618 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.323 18.138 1.417 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.750 18.980 0.745 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.482 18.343 2.036 1.00 0.00 N ATOM 0 H GLN A 101 -7.788 15.938 2.904 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.481 14.723 2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.358 17.251 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.710 17.433 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.737 16.203 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.394 16.167 2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.908 17.594 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.945 19.249 1.964 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.120 14.060 0.321 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.833 13.506 -0.992 1.00 0.00 C ATOM 1581 C ALA A 102 -10.534 14.349 -2.059 1.00 0.00 C ATOM 1582 O ALA A 102 -11.165 15.356 -1.745 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.263 12.039 -1.032 1.00 0.00 C ATOM 0 H ALA A 102 -11.000 13.748 0.733 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.763 13.537 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.048 11.624 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.716 11.479 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.332 11.968 -0.834 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.399 13.904 -3.300 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.012 14.605 -4.416 1.00 0.00 C ATOM 1591 C ASN A 103 -12.420 14.052 -4.649 1.00 0.00 C ATOM 1592 O ASN A 103 -13.388 14.810 -4.691 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.207 14.403 -5.702 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.280 15.592 -5.960 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -9.596 16.511 -6.698 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.119 15.523 -5.314 1.00 0.00 N ATOM 0 H ASN A 103 -9.875 13.068 -3.557 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.042 15.667 -4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.619 13.488 -5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.887 14.277 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.430 16.268 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.917 14.725 -4.711 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.489 12.737 -4.793 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.762 12.075 -5.020 1.00 0.00 C ATOM 1605 C ASP A 104 -13.940 10.956 -3.992 1.00 0.00 C ATOM 1606 O ASP A 104 -13.367 11.010 -2.905 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.816 11.448 -6.415 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.108 12.248 -7.510 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -13.612 13.348 -7.826 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.079 11.741 -8.008 1.00 0.00 O ATOM 0 H ASP A 104 -11.684 12.112 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.551 12.821 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.372 10.454 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.860 11.318 -6.698 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.736 9.967 -4.372 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.997 8.837 -3.497 1.00 0.00 C ATOM 1617 C GLN A 105 -13.979 7.724 -3.750 1.00 0.00 C ATOM 1618 O GLN A 105 -13.718 6.905 -2.870 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.427 8.324 -3.675 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.566 6.893 -3.151 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.989 6.370 -3.355 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.663 6.688 -4.321 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.407 5.551 -2.394 1.00 0.00 N ATOM 0 H GLN A 105 -15.209 9.925 -5.275 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.892 9.170 -2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.120 8.978 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.700 8.357 -4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.859 6.243 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.312 6.864 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.792 5.326 -1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.343 5.148 -2.439 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.432 7.729 -4.957 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.448 6.730 -5.337 1.00 0.00 C ATOM 1634 C LYS A 106 -11.132 7.014 -4.611 1.00 0.00 C ATOM 1635 O LYS A 106 -10.710 6.237 -3.756 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.310 6.667 -6.860 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.422 5.494 -7.281 1.00 0.00 C ATOM 1638 CD LYS A 106 -12.227 4.445 -8.050 1.00 0.00 C ATOM 1639 CE LYS A 106 -11.807 3.029 -7.651 1.00 0.00 C ATOM 1640 NZ LYS A 106 -10.440 2.738 -8.138 1.00 0.00 N ATOM 0 H LYS A 106 -13.652 8.409 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.774 5.737 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.295 6.563 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.885 7.600 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.604 5.858 -7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.973 5.038 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.290 4.582 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.081 4.583 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.843 2.924 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.509 2.305 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.402 1.766 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.193 3.405 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.764 2.839 -7.354 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.520 8.130 -4.978 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.260 8.526 -4.372 1.00 0.00 C ATOM 1656 C ASP A 107 -9.344 8.334 -2.857 1.00 0.00 C ATOM 1657 O ASP A 107 -8.390 7.873 -2.232 1.00 0.00 O ATOM 1658 CB ASP A 107 -8.957 10.001 -4.645 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.556 10.284 -5.192 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.956 9.331 -5.735 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.117 11.446 -5.054 1.00 0.00 O ATOM 0 H ASP A 107 -10.873 8.773 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.471 7.909 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.691 10.382 -5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.089 10.561 -3.719 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.495 8.696 -2.310 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.717 8.568 -0.880 1.00 0.00 C ATOM 1668 C LEU A 108 -10.461 7.121 -0.455 1.00 0.00 C ATOM 1669 O LEU A 108 -9.561 6.853 0.339 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.109 9.082 -0.505 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.561 8.808 0.931 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.229 7.436 1.042 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.396 8.960 1.911 1.00 0.00 C ATOM 0 H LEU A 108 -11.284 9.078 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.013 9.192 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.135 10.159 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.835 8.635 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.309 9.553 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.541 7.266 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.101 7.402 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.522 6.662 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.744 8.760 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.608 8.253 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.004 9.976 1.856 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.270 6.225 -1.003 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.142 4.812 -0.691 1.00 0.00 C ATOM 1687 C LYS A 109 -9.739 4.335 -1.072 1.00 0.00 C ATOM 1688 O LYS A 109 -9.032 3.755 -0.249 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.265 4.013 -1.356 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.400 3.736 -0.368 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.657 2.233 -0.236 1.00 0.00 C ATOM 1692 CE LYS A 109 -13.817 1.831 1.231 1.00 0.00 C ATOM 1693 NZ LYS A 109 -14.711 0.658 1.352 1.00 0.00 N ATOM 0 H LYS A 109 -12.016 6.451 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.255 4.646 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.651 4.565 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.870 3.071 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.148 4.153 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.309 4.236 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.556 1.964 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.830 1.679 -0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.842 1.598 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.224 2.666 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.809 0.398 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.646 0.893 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.307 -0.142 0.825 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.378 4.596 -2.320 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.072 4.200 -2.819 1.00 0.00 C ATOM 1709 C ASP A 110 -7.002 4.578 -1.793 1.00 0.00 C ATOM 1710 O ASP A 110 -6.194 3.740 -1.397 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.744 4.918 -4.130 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.218 4.201 -5.396 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -8.993 3.232 -5.243 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.794 4.637 -6.488 1.00 0.00 O ATOM 0 H ASP A 110 -9.967 5.077 -3.000 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.088 3.124 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.191 5.912 -4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.664 5.056 -4.191 1.00 0.00 H new ATOM 1719 N TRP A 111 -7.032 5.840 -1.391 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.075 6.339 -0.419 1.00 0.00 C ATOM 1721 C TRP A 111 -6.209 5.497 0.852 1.00 0.00 C ATOM 1722 O TRP A 111 -5.259 4.833 1.264 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.277 7.835 -0.168 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.424 8.737 -1.064 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.805 9.410 -2.158 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -4.023 9.037 -0.896 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.756 10.120 -2.705 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.638 9.886 -1.913 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.111 8.606 0.083 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.334 10.377 -2.050 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.811 9.106 -0.068 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.408 9.961 -1.086 1.00 0.00 C ATOM 0 H TRP A 111 -7.705 6.532 -1.721 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.057 6.242 -0.796 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.328 8.080 -0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.046 8.053 0.875 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.807 9.398 -2.561 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.794 10.708 -3.537 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.390 7.942 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.057 11.041 -2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.070 8.806 0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.385 10.303 -1.134 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.397 5.551 1.437 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.668 4.801 2.651 1.00 0.00 C ATOM 1745 C VAL A 112 -7.071 3.398 2.523 1.00 0.00 C ATOM 1746 O VAL A 112 -6.332 2.952 3.400 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.171 4.788 2.934 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.491 3.935 4.163 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.710 6.210 3.099 1.00 0.00 C ATOM 0 H VAL A 112 -8.183 6.103 1.092 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.194 5.279 3.509 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.669 4.338 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.566 3.943 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.159 2.911 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.976 4.342 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.781 6.172 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.202 6.697 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.532 6.775 2.184 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.414 2.742 1.425 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.922 1.399 1.171 1.00 0.00 C ATOM 1761 C GLU A 113 -5.394 1.401 1.084 1.00 0.00 C ATOM 1762 O GLU A 113 -4.732 0.581 1.718 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.542 0.819 -0.102 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.067 0.934 -0.070 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.725 -0.417 -0.359 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.287 -1.406 0.268 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.650 -0.430 -1.199 1.00 0.00 O ATOM 0 H GLU A 113 -8.027 3.116 0.701 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.219 0.761 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.152 1.345 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.255 -0.227 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.387 1.297 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.395 1.667 -0.806 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.879 2.332 0.295 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.442 2.452 0.118 1.00 0.00 C ATOM 1776 C ALA A 114 -2.780 2.664 1.481 1.00 0.00 C ATOM 1777 O ALA A 114 -1.774 2.028 1.792 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.141 3.590 -0.859 1.00 0.00 C ATOM 0 H ALA A 114 -5.431 3.011 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.031 1.538 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.063 3.680 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.608 3.377 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.537 4.525 -0.462 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.371 3.560 2.258 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.852 3.863 3.580 1.00 0.00 C ATOM 1786 C LEU A 115 -3.031 2.643 4.486 1.00 0.00 C ATOM 1787 O LEU A 115 -2.374 2.531 5.520 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.496 5.137 4.130 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.078 6.445 3.455 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.141 7.528 3.651 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.701 6.899 3.944 1.00 0.00 C ATOM 0 H LEU A 115 -4.205 4.086 1.997 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.783 4.070 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.578 5.038 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.263 5.209 5.192 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.996 6.265 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.819 8.447 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.083 7.196 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.279 7.714 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.428 7.831 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.732 7.057 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.961 6.133 3.710 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.925 1.760 4.065 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.199 0.552 4.826 1.00 0.00 C ATOM 1805 C ASN A 116 -3.259 -0.562 4.361 1.00 0.00 C ATOM 1806 O ASN A 116 -3.092 -1.566 5.052 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.637 0.079 4.608 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.506 0.385 5.830 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.278 -0.104 6.924 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.512 1.219 5.584 1.00 0.00 N ATOM 0 H ASN A 116 -4.469 1.857 3.207 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.049 0.777 5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.055 0.568 3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.645 -0.993 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -8.149 1.485 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.647 1.593 4.644 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.670 -0.348 3.194 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.752 -1.322 2.629 1.00 0.00 C ATOM 1819 C GLN A 117 -0.305 -0.917 2.918 1.00 0.00 C ATOM 1820 O GLN A 117 0.489 -1.730 3.390 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.985 -1.488 1.126 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.382 -2.045 0.846 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.301 -3.420 0.179 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.239 -4.000 0.021 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.478 -3.906 -0.201 1.00 0.00 N ATOM 0 H GLN A 117 -2.811 0.486 2.624 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.940 -2.286 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.867 -0.526 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.232 -2.158 0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.940 -2.122 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.930 -1.356 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -5.329 -3.367 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.531 -4.818 -0.656 1.00 0.00 H new ATOM 1834 N ALA A 118 -0.005 0.340 2.623 1.00 0.00 N ATOM 1835 CA ALA A 118 1.332 0.862 2.845 1.00 0.00 C ATOM 1836 C ALA A 118 1.733 0.621 4.302 1.00 0.00 C ATOM 1837 O ALA A 118 2.899 0.358 4.593 1.00 0.00 O ATOM 1838 CB ALA A 118 1.371 2.344 2.467 1.00 0.00 C ATOM 0 H ALA A 118 -0.666 1.012 2.232 1.00 0.00 H new ATOM 0 HA ALA A 118 2.055 0.346 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.374 2.736 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.107 2.458 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.660 2.895 3.082 1.00 0.00 H new ATOM 1844 N SER A 119 0.745 0.720 5.179 1.00 0.00 N ATOM 1845 CA SER A 119 0.981 0.516 6.598 1.00 0.00 C ATOM 1846 C SER A 119 0.572 -0.903 6.997 1.00 0.00 C ATOM 1847 O SER A 119 0.953 -1.386 8.063 1.00 0.00 O ATOM 1848 CB SER A 119 0.217 1.544 7.436 1.00 0.00 C ATOM 1849 OG SER A 119 0.986 2.007 8.543 1.00 0.00 O ATOM 0 H SER A 119 -0.221 0.939 4.934 1.00 0.00 H new ATOM 0 HA SER A 119 2.046 0.648 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.060 2.390 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.710 1.100 7.799 1.00 0.00 H new ATOM 0 HG SER A 119 0.451 1.946 9.362 1.00 0.00 H new ATOM 1855 N LYS A 120 -0.197 -1.532 6.121 1.00 0.00 N ATOM 1856 CA LYS A 120 -0.661 -2.887 6.369 1.00 0.00 C ATOM 1857 C LYS A 120 -1.009 -3.038 7.851 1.00 0.00 C ATOM 1858 O LYS A 120 -0.874 -4.123 8.417 1.00 0.00 O ATOM 1859 CB LYS A 120 0.367 -3.905 5.872 1.00 0.00 C ATOM 1860 CG LYS A 120 -0.005 -4.426 4.482 1.00 0.00 C ATOM 1861 CD LYS A 120 -0.547 -5.855 4.560 1.00 0.00 C ATOM 1862 CE LYS A 120 -0.776 -6.431 3.161 1.00 0.00 C ATOM 1863 NZ LYS A 120 -2.222 -6.629 2.912 1.00 0.00 N ATOM 0 H LYS A 120 -0.511 -1.129 5.238 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.572 -3.087 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 120 1.354 -3.444 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.427 -4.738 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.754 -3.773 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 120 0.871 -4.400 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.155 -6.485 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -1.483 -5.863 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -0.361 -5.757 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -0.250 -7.381 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -2.360 -7.020 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -2.608 -7.289 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -2.715 -5.716 2.986 1.00 0.00 H new ATOM 1877 N SER A 121 -1.450 -1.936 8.439 1.00 0.00 N ATOM 1878 CA SER A 121 -1.819 -1.933 9.844 1.00 0.00 C ATOM 1879 C SER A 121 -0.570 -1.770 10.712 1.00 0.00 C ATOM 1880 O SER A 121 -0.525 -0.906 11.587 1.00 0.00 O ATOM 1881 CB SER A 121 -2.564 -3.215 10.221 1.00 0.00 C ATOM 1882 OG SER A 121 -3.393 -3.033 11.366 1.00 0.00 O ATOM 0 H SER A 121 -1.560 -1.038 7.967 1.00 0.00 H new ATOM 0 HA SER A 121 -2.489 -1.091 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 121 -3.175 -3.540 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.843 -4.009 10.418 1.00 0.00 H new ATOM 0 HG SER A 121 -3.853 -3.873 11.574 1.00 0.00 H new ATOM 1888 N GLY A 122 0.414 -2.615 10.441 1.00 0.00 N ATOM 1889 CA GLY A 122 1.661 -2.576 11.187 1.00 0.00 C ATOM 1890 C GLY A 122 1.944 -3.924 11.852 1.00 0.00 C ATOM 1891 O GLY A 122 1.293 -4.922 11.544 1.00 0.00 O ATOM 0 H GLY A 122 0.373 -3.331 9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 122 2.481 -2.317 10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 122 1.611 -1.795 11.946 1.00 0.00 H new ATOM 1895 N PRO A 123 2.942 -3.911 12.776 1.00 0.00 N ATOM 1896 CA PRO A 123 3.319 -5.120 13.487 1.00 0.00 C ATOM 1897 C PRO A 123 2.285 -5.472 14.559 1.00 0.00 C ATOM 1898 O PRO A 123 2.629 -5.640 15.728 1.00 0.00 O ATOM 1899 CB PRO A 123 4.695 -4.825 14.064 1.00 0.00 C ATOM 1900 CG PRO A 123 4.836 -3.311 14.050 1.00 0.00 C ATOM 1901 CD PRO A 123 3.734 -2.749 13.166 1.00 0.00 C ATOM 0 HA PRO A 123 3.353 -5.995 12.838 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.786 -5.217 15.077 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.477 -5.296 13.469 1.00 0.00 H new ATOM 0 HG2 PRO A 123 4.756 -2.911 15.061 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.816 -3.022 13.669 1.00 0.00 H new ATOM 0 HD2 PRO A 123 3.128 -2.020 13.704 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.146 -2.240 12.295 1.00 0.00 H new ATOM 1909 N SER A 124 1.038 -5.572 14.122 1.00 0.00 N ATOM 1910 CA SER A 124 -0.048 -5.900 15.029 1.00 0.00 C ATOM 1911 C SER A 124 -1.374 -5.937 14.266 1.00 0.00 C ATOM 1912 O SER A 124 -1.636 -5.074 13.429 1.00 0.00 O ATOM 1913 CB SER A 124 -0.126 -4.897 16.181 1.00 0.00 C ATOM 1914 OG SER A 124 -1.308 -5.068 16.959 1.00 0.00 O ATOM 0 H SER A 124 0.756 -5.432 13.152 1.00 0.00 H new ATOM 0 HA SER A 124 0.147 -6.885 15.454 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.749 -5.011 16.821 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.098 -3.883 15.781 1.00 0.00 H new ATOM 0 HG SER A 124 -1.945 -4.353 16.748 1.00 0.00 H new ATOM 1920 N SER A 125 -2.174 -6.944 14.582 1.00 0.00 N ATOM 1921 CA SER A 125 -3.466 -7.104 13.936 1.00 0.00 C ATOM 1922 C SER A 125 -4.429 -6.017 14.416 1.00 0.00 C ATOM 1923 O SER A 125 -4.931 -5.230 13.615 1.00 0.00 O ATOM 1924 CB SER A 125 -4.052 -8.491 14.212 1.00 0.00 C ATOM 1925 OG SER A 125 -5.170 -8.774 13.376 1.00 0.00 O ATOM 0 H SER A 125 -1.953 -7.657 15.277 1.00 0.00 H new ATOM 0 HA SER A 125 -3.324 -7.006 12.860 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.282 -9.247 14.057 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.355 -8.555 15.257 1.00 0.00 H new ATOM 0 HG SER A 125 -5.514 -9.668 13.582 1.00 0.00 H new ATOM 1931 N GLY A 126 -4.658 -6.007 15.721 1.00 0.00 N ATOM 1932 CA GLY A 126 -5.552 -5.029 16.316 1.00 0.00 C ATOM 1933 C GLY A 126 -4.887 -4.330 17.504 1.00 0.00 C ATOM 1934 O GLY A 126 -3.733 -3.913 17.417 1.00 0.00 O ATOM 0 H GLY A 126 -4.240 -6.661 16.383 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.838 -4.290 15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -6.468 -5.520 16.645 1.00 0.00 H new TER 1938 GLY A 126