USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 854 hydrogens (30 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 NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD Set 1.1: A 58 THR OG1 : rot -90:sc= 2.88 USER MOD Set 1.2: A 59 LYS NZ :NH3+ 169:sc= 1.2 (180deg=-0.168) USER MOD Set 2.1: A 51 HIS : no HE2:sc= -0.954 K(o=0.22,f=-2.6!) USER MOD Set 2.2: A 80 THR OG1 : rot -118:sc= 1.17 USER MOD Set 3.1: A 42 HIS : no HD1:sc= -1.45 K(o=-1.2,f=-2.6) USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 0.292 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0403 X(o=-0.04,f=-0.014) USER MOD Single : A 25 SER OG : rot -113:sc= 0.263 USER MOD Single : A 30 LYS NZ :NH3+ -140:sc= 0.766 (180deg=-3.45!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.398 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -64:sc= 0.832 USER MOD Single : A 38 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.35) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.27) USER MOD Single : A 40 HIS : no HE2:sc= 0.15 K(o=0.15,f=-1.8) USER MOD Single : A 41 ASN : amide:sc= -1.73! C(o=-1.7!,f=-5.9!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.108 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 52 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0.0039) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0.936 (180deg=0.449) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 82 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.67) USER MOD Single : A 89 SER OG : rot -14:sc= 0.905 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -101:sc= 1.23 USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.08) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-0.091) USER MOD Single : A 111 LYS NZ :NH3+ -126:sc= 1.15 (180deg=-1.13) USER MOD Single : A 113 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.16) USER MOD Single : A 114 LYS NZ :NH3+ -143:sc= 0.235 (180deg=-0.173) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.45 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= -0.0918 USER MOD Single : A 129 HEM CMA :methyl 150:sc= -0.041 (180deg=-0.041) USER MOD Single : A 129 HEM CMB :methyl -30:sc= -1.57 (180deg=-4.34!) USER MOD Single : A 129 HEM CMC :methyl 150:sc= -4.11! (180deg=-4.11!) USER MOD Single : A 129 HEM CMD :methyl 150:sc= -0.233 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 9.099 -23.275 -12.855 1.00 14.68 N ATOM 2 CA MET A 21 9.398 -23.702 -11.485 1.00 14.32 C ATOM 3 C MET A 21 9.850 -22.508 -10.656 1.00 13.51 C ATOM 4 O MET A 21 10.950 -21.994 -10.875 1.00 13.68 O ATOM 5 CB MET A 21 10.495 -24.778 -11.480 1.00 14.15 C ATOM 6 CG MET A 21 10.065 -26.107 -12.086 1.00 14.65 C ATOM 7 SD MET A 21 8.670 -26.834 -11.200 1.00 15.21 S ATOM 8 CE MET A 21 8.446 -28.377 -12.079 1.00 15.63 C ATOM 0 HA MET A 21 8.492 -24.124 -11.051 1.00 14.32 H new ATOM 0 HB2 MET A 21 11.359 -24.403 -12.029 1.00 14.15 H new ATOM 0 HB3 MET A 21 10.819 -24.947 -10.453 1.00 14.15 H new ATOM 0 HG2 MET A 21 9.793 -25.958 -13.131 1.00 14.65 H new ATOM 0 HG3 MET A 21 10.905 -26.801 -12.071 1.00 14.65 H new ATOM 0 HE1 MET A 21 7.616 -28.930 -11.638 1.00 15.63 H new ATOM 0 HE2 MET A 21 8.228 -28.171 -13.127 1.00 15.63 H new ATOM 0 HE3 MET A 21 9.357 -28.972 -12.008 1.00 15.63 H new ATOM 18 N ALA A 22 9.002 -22.077 -9.719 1.00 12.77 N ATOM 19 CA ALA A 22 9.293 -20.935 -8.848 1.00 12.10 C ATOM 20 C ALA A 22 9.240 -19.626 -9.622 1.00 11.21 C ATOM 21 O ALA A 22 9.983 -19.420 -10.588 1.00 11.30 O ATOM 22 CB ALA A 22 10.634 -21.093 -8.141 1.00 12.20 C ATOM 0 H ALA A 22 8.095 -22.509 -9.543 1.00 12.77 H new ATOM 0 HA ALA A 22 8.518 -20.908 -8.082 1.00 12.10 H new ATOM 0 HB1 ALA A 22 10.814 -20.227 -7.505 1.00 12.20 H new ATOM 0 HB2 ALA A 22 10.619 -21.995 -7.530 1.00 12.20 H new ATOM 0 HB3 ALA A 22 11.429 -21.170 -8.882 1.00 12.20 H new ATOM 28 N GLU A 23 8.344 -18.740 -9.202 1.00 10.56 N ATOM 29 CA GLU A 23 8.191 -17.466 -9.867 1.00 9.86 C ATOM 30 C GLU A 23 9.421 -16.599 -9.634 1.00 9.83 C ATOM 31 O GLU A 23 10.102 -16.744 -8.620 1.00 10.22 O ATOM 32 CB GLU A 23 6.919 -16.745 -9.390 1.00 8.92 C ATOM 33 CG GLU A 23 6.417 -15.675 -10.357 1.00 9.14 C ATOM 34 CD GLU A 23 5.073 -15.087 -9.949 1.00 9.74 C ATOM 35 OE1 GLU A 23 4.163 -15.859 -9.602 1.00 9.87 O ATOM 36 OE2 GLU A 23 4.922 -13.849 -10.008 1.00 10.29 O ATOM 0 H GLU A 23 7.720 -18.885 -8.409 1.00 10.56 H new ATOM 0 HA GLU A 23 8.091 -17.648 -10.937 1.00 9.86 H new ATOM 0 HB2 GLU A 23 6.131 -17.482 -9.237 1.00 8.92 H new ATOM 0 HB3 GLU A 23 7.116 -16.283 -8.422 1.00 8.92 H new ATOM 0 HG2 GLU A 23 7.154 -14.874 -10.418 1.00 9.14 H new ATOM 0 HG3 GLU A 23 6.331 -16.106 -11.354 1.00 9.14 H new ATOM 43 N GLN A 24 9.698 -15.723 -10.577 1.00 9.65 N ATOM 44 CA GLN A 24 10.954 -14.974 -10.611 1.00 9.95 C ATOM 45 C GLN A 24 11.192 -14.167 -9.327 1.00 9.30 C ATOM 46 O GLN A 24 12.225 -14.320 -8.667 1.00 9.57 O ATOM 47 CB GLN A 24 10.955 -14.051 -11.830 1.00 10.36 C ATOM 48 CG GLN A 24 10.726 -14.779 -13.152 1.00 11.10 C ATOM 49 CD GLN A 24 11.760 -15.866 -13.435 1.00 11.88 C ATOM 50 OE1 GLN A 24 12.784 -15.620 -14.069 1.00 12.37 O ATOM 51 NE2 GLN A 24 11.495 -17.073 -12.963 1.00 12.20 N ATOM 0 H GLN A 24 9.064 -15.504 -11.345 1.00 9.65 H new ATOM 0 HA GLN A 24 11.771 -15.692 -10.684 1.00 9.95 H new ATOM 0 HB2 GLN A 24 10.180 -13.295 -11.703 1.00 10.36 H new ATOM 0 HB3 GLN A 24 11.909 -13.525 -11.876 1.00 10.36 H new ATOM 0 HG2 GLN A 24 9.732 -15.227 -13.144 1.00 11.10 H new ATOM 0 HG3 GLN A 24 10.742 -14.053 -13.965 1.00 11.10 H new ATOM 0 HE21 GLN A 24 10.634 -17.239 -12.441 1.00 12.20 H new ATOM 0 HE22 GLN A 24 12.151 -17.838 -13.121 1.00 12.20 H new ATOM 60 N SER A 25 10.226 -13.328 -8.965 1.00 8.66 N ATOM 61 CA SER A 25 10.385 -12.395 -7.855 1.00 8.30 C ATOM 62 C SER A 25 9.829 -13.000 -6.565 1.00 7.40 C ATOM 63 O SER A 25 9.555 -14.198 -6.494 1.00 7.32 O ATOM 64 CB SER A 25 9.677 -11.068 -8.191 1.00 8.45 C ATOM 65 OG SER A 25 9.976 -10.043 -7.249 1.00 8.80 O ATOM 0 H SER A 25 9.319 -13.276 -9.428 1.00 8.66 H new ATOM 0 HA SER A 25 11.446 -12.197 -7.701 1.00 8.30 H new ATOM 0 HB2 SER A 25 9.976 -10.741 -9.187 1.00 8.45 H new ATOM 0 HB3 SER A 25 8.599 -11.230 -8.218 1.00 8.45 H new ATOM 0 HG SER A 25 9.166 -9.814 -6.747 1.00 8.80 H new ATOM 71 N ASP A 26 9.653 -12.152 -5.561 1.00 7.02 N ATOM 72 CA ASP A 26 9.105 -12.557 -4.271 1.00 6.51 C ATOM 73 C ASP A 26 7.605 -12.847 -4.362 1.00 5.72 C ATOM 74 O ASP A 26 6.803 -12.259 -3.625 1.00 5.93 O ATOM 75 CB ASP A 26 9.356 -11.473 -3.217 1.00 6.68 C ATOM 76 CG ASP A 26 10.705 -11.602 -2.529 1.00 7.05 C ATOM 77 OD1 ASP A 26 11.706 -11.072 -3.054 1.00 7.49 O ATOM 78 OD2 ASP A 26 10.755 -12.196 -1.428 1.00 7.19 O ATOM 0 H ASP A 26 9.886 -11.161 -5.617 1.00 7.02 H new ATOM 0 HA ASP A 26 9.613 -13.475 -3.976 1.00 6.51 H new ATOM 0 HB2 ASP A 26 9.290 -10.494 -3.691 1.00 6.68 H new ATOM 0 HB3 ASP A 26 8.567 -11.517 -2.466 1.00 6.68 H new ATOM 83 N GLU A 27 7.255 -13.756 -5.261 1.00 5.18 N ATOM 84 CA GLU A 27 5.886 -14.172 -5.496 1.00 4.82 C ATOM 85 C GLU A 27 5.001 -12.983 -5.914 1.00 3.91 C ATOM 86 O GLU A 27 4.959 -12.606 -7.086 1.00 4.18 O ATOM 87 CB GLU A 27 5.317 -14.908 -4.266 1.00 5.12 C ATOM 88 CG GLU A 27 6.056 -16.194 -3.910 1.00 5.86 C ATOM 89 CD GLU A 27 5.368 -16.981 -2.806 1.00 6.70 C ATOM 90 OE1 GLU A 27 5.366 -16.523 -1.643 1.00 7.03 O ATOM 91 OE2 GLU A 27 4.836 -18.074 -3.099 1.00 7.26 O ATOM 0 H GLU A 27 7.931 -14.233 -5.858 1.00 5.18 H new ATOM 0 HA GLU A 27 5.885 -14.876 -6.328 1.00 4.82 H new ATOM 0 HB2 GLU A 27 5.347 -14.236 -3.408 1.00 5.12 H new ATOM 0 HB3 GLU A 27 4.269 -15.144 -4.450 1.00 5.12 H new ATOM 0 HG2 GLU A 27 6.138 -16.819 -4.799 1.00 5.86 H new ATOM 0 HG3 GLU A 27 7.071 -15.950 -3.598 1.00 5.86 H new ATOM 98 N ALA A 28 4.340 -12.355 -4.957 1.00 3.15 N ATOM 99 CA ALA A 28 3.386 -11.300 -5.275 1.00 2.43 C ATOM 100 C ALA A 28 3.595 -10.034 -4.441 1.00 1.93 C ATOM 101 O ALA A 28 4.613 -9.880 -3.752 1.00 2.03 O ATOM 102 CB ALA A 28 1.965 -11.819 -5.104 1.00 2.71 C ATOM 0 H ALA A 28 4.443 -12.553 -3.962 1.00 3.15 H new ATOM 0 HA ALA A 28 3.555 -11.018 -6.314 1.00 2.43 H new ATOM 0 HB1 ALA A 28 1.257 -11.026 -5.343 1.00 2.71 H new ATOM 0 HB2 ALA A 28 1.803 -12.664 -5.773 1.00 2.71 H new ATOM 0 HB3 ALA A 28 1.816 -12.139 -4.073 1.00 2.71 H new ATOM 108 N VAL A 29 2.615 -9.129 -4.541 1.00 1.65 N ATOM 109 CA VAL A 29 2.614 -7.851 -3.815 1.00 1.29 C ATOM 110 C VAL A 29 2.796 -8.085 -2.322 1.00 1.04 C ATOM 111 O VAL A 29 2.369 -9.116 -1.790 1.00 1.10 O ATOM 112 CB VAL A 29 1.284 -7.092 -4.052 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.254 -5.744 -3.326 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.044 -6.896 -5.528 1.00 1.82 C ATOM 0 H VAL A 29 1.794 -9.262 -5.132 1.00 1.65 H new ATOM 0 HA VAL A 29 3.443 -7.252 -4.190 1.00 1.29 H new ATOM 0 HB VAL A 29 0.484 -7.705 -3.638 1.00 1.34 H new ATOM 0 HG11 VAL A 29 0.304 -5.247 -3.520 1.00 1.70 H new ATOM 0 HG12 VAL A 29 1.366 -5.906 -2.254 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.071 -5.118 -3.686 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.106 -6.361 -5.676 1.00 1.82 H new ATOM 0 HG22 VAL A 29 1.863 -6.318 -5.956 1.00 1.82 H new ATOM 0 HG23 VAL A 29 0.990 -7.867 -6.020 1.00 1.82 H new ATOM 124 N LYS A 30 3.461 -7.153 -1.651 1.00 0.90 N ATOM 125 CA LYS A 30 3.661 -7.278 -0.224 1.00 0.79 C ATOM 126 C LYS A 30 2.555 -6.571 0.521 1.00 0.63 C ATOM 127 O LYS A 30 1.946 -5.633 -0.001 1.00 0.66 O ATOM 128 CB LYS A 30 5.041 -6.764 0.186 1.00 0.87 C ATOM 129 CG LYS A 30 6.150 -7.649 -0.343 1.00 1.26 C ATOM 130 CD LYS A 30 5.958 -9.086 0.118 1.00 2.11 C ATOM 131 CE LYS A 30 6.895 -10.035 -0.595 1.00 2.93 C ATOM 132 NZ LYS A 30 6.687 -10.011 -2.063 1.00 3.71 N ATOM 0 H LYS A 30 3.864 -6.315 -2.070 1.00 0.90 H new ATOM 0 HA LYS A 30 3.623 -8.334 0.042 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.177 -5.749 -0.187 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.102 -6.715 1.273 1.00 0.87 H new ATOM 0 HG2 LYS A 30 6.165 -7.610 -1.432 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.115 -7.277 0.002 1.00 1.26 H new ATOM 0 HD2 LYS A 30 6.127 -9.148 1.193 1.00 2.11 H new ATOM 0 HD3 LYS A 30 4.927 -9.390 -0.061 1.00 2.11 H new ATOM 0 HE2 LYS A 30 7.927 -9.766 -0.369 1.00 2.93 H new ATOM 0 HE3 LYS A 30 6.741 -11.048 -0.222 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 6.754 -10.978 -2.439 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 5.746 -9.622 -2.274 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 7.415 -9.415 -2.507 1.00 3.71 H new ATOM 146 N TYR A 31 2.283 -7.028 1.725 1.00 0.56 N ATOM 147 CA TYR A 31 1.139 -6.531 2.468 1.00 0.49 C ATOM 148 C TYR A 31 1.555 -5.990 3.825 1.00 0.50 C ATOM 149 O TYR A 31 2.616 -6.337 4.348 1.00 0.64 O ATOM 150 CB TYR A 31 0.114 -7.644 2.658 1.00 0.56 C ATOM 151 CG TYR A 31 -0.305 -8.306 1.364 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.738 -7.550 0.285 1.00 0.61 C ATOM 153 CD2 TYR A 31 -0.215 -9.679 1.204 1.00 0.81 C ATOM 154 CE1 TYR A 31 -1.118 -8.151 -0.902 1.00 0.75 C ATOM 155 CE2 TYR A 31 -0.591 -10.291 0.018 1.00 0.94 C ATOM 156 CZ TYR A 31 -1.024 -9.516 -1.037 1.00 0.89 C ATOM 157 OH TYR A 31 -1.394 -10.109 -2.227 1.00 1.06 O ATOM 0 H TYR A 31 2.832 -7.738 2.209 1.00 0.56 H new ATOM 0 HA TYR A 31 0.696 -5.718 1.893 1.00 0.49 H new ATOM 0 HB2 TYR A 31 0.529 -8.399 3.325 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.768 -7.234 3.150 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.779 -6.474 0.373 1.00 0.61 H new ATOM 0 HD2 TYR A 31 0.155 -10.284 2.018 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -1.487 -7.550 -1.720 1.00 0.75 H new ATOM 0 HE2 TYR A 31 -0.545 -11.366 -0.079 1.00 0.94 H new ATOM 0 HH TYR A 31 -1.268 -11.079 -2.162 1.00 1.06 H new ATOM 167 N TYR A 32 0.705 -5.151 4.390 1.00 0.43 N ATOM 168 CA TYR A 32 0.888 -4.656 5.749 1.00 0.46 C ATOM 169 C TYR A 32 -0.352 -4.955 6.572 1.00 0.53 C ATOM 170 O TYR A 32 -1.428 -5.136 6.010 1.00 0.89 O ATOM 171 CB TYR A 32 1.198 -3.159 5.741 1.00 0.46 C ATOM 172 CG TYR A 32 2.511 -2.839 5.057 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.556 -2.663 3.682 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.683 -2.631 5.784 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.742 -2.340 3.040 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.868 -2.303 5.156 1.00 1.20 C ATOM 177 CZ TYR A 32 4.956 -2.372 3.810 1.00 0.81 C ATOM 178 OH TYR A 32 6.072 -1.799 3.172 1.00 0.96 O ATOM 0 H TYR A 32 -0.129 -4.793 3.925 1.00 0.43 H new ATOM 0 HA TYR A 32 1.738 -5.165 6.203 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.391 -2.627 5.237 1.00 0.46 H new ATOM 0 HB3 TYR A 32 1.229 -2.793 6.767 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.653 -2.779 3.102 1.00 0.98 H new ATOM 0 HD2 TYR A 32 3.663 -2.728 6.859 1.00 1.09 H new ATOM 0 HE1 TYR A 32 3.754 -2.073 1.994 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.722 -1.992 5.739 1.00 1.20 H new ATOM 0 HH TYR A 32 6.853 -1.860 3.761 1.00 0.96 H new ATOM 188 N THR A 33 -0.215 -5.058 7.881 1.00 0.48 N ATOM 189 CA THR A 33 -1.354 -5.414 8.715 1.00 0.57 C ATOM 190 C THR A 33 -2.284 -4.223 8.922 1.00 0.56 C ATOM 191 O THR A 33 -1.873 -3.072 8.763 1.00 0.60 O ATOM 192 CB THR A 33 -0.904 -5.968 10.085 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.017 -5.042 10.740 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.202 -7.309 9.908 1.00 0.82 C ATOM 0 H THR A 33 0.658 -4.904 8.386 1.00 0.48 H new ATOM 0 HA THR A 33 -1.899 -6.197 8.187 1.00 0.57 H new ATOM 0 HB THR A 33 -1.791 -6.105 10.704 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.805 -4.949 10.215 1.00 0.77 H new ATOM 0 HG21 THR A 33 0.110 -7.688 10.881 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.886 -8.020 9.444 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.673 -7.180 9.271 1.00 0.82 H new ATOM 202 N LEU A 34 -3.539 -4.493 9.276 1.00 0.60 N ATOM 203 CA LEU A 34 -4.469 -3.425 9.594 1.00 0.64 C ATOM 204 C LEU A 34 -3.912 -2.642 10.780 1.00 0.58 C ATOM 205 O LEU A 34 -3.938 -1.409 10.858 1.00 0.59 O ATOM 206 CB LEU A 34 -5.818 -4.044 9.930 1.00 0.86 C ATOM 207 CG LEU A 34 -6.932 -3.050 10.241 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.182 -2.132 9.060 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.209 -3.785 10.634 1.00 1.46 C ATOM 0 H LEU A 34 -3.927 -5.434 9.348 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.598 -2.744 8.752 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.132 -4.666 9.092 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.693 -4.704 10.788 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.616 -2.435 11.084 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -7.981 -1.432 9.306 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.272 -1.578 8.831 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.474 -2.725 8.193 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -8.993 -3.060 10.853 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.527 -4.427 9.812 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.021 -4.394 11.518 1.00 1.46 H new ATOM 221 N GLU A 35 -3.354 -3.458 11.680 1.00 0.65 N ATOM 222 CA GLU A 35 -2.870 -3.058 13.003 1.00 0.77 C ATOM 223 C GLU A 35 -1.834 -1.953 12.922 1.00 0.73 C ATOM 224 O GLU A 35 -1.907 -0.974 13.653 1.00 0.88 O ATOM 225 CB GLU A 35 -2.237 -4.260 13.698 1.00 0.94 C ATOM 226 CG GLU A 35 -1.756 -3.951 15.111 1.00 1.41 C ATOM 227 CD GLU A 35 -0.558 -4.786 15.534 1.00 1.91 C ATOM 228 OE1 GLU A 35 -0.774 -5.916 16.024 1.00 2.56 O ATOM 229 OE2 GLU A 35 0.581 -4.334 15.357 1.00 2.34 O ATOM 0 H GLU A 35 -3.223 -4.453 11.499 1.00 0.65 H new ATOM 0 HA GLU A 35 -3.728 -2.686 13.564 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -2.963 -5.072 13.738 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -1.395 -4.613 13.103 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -1.495 -2.895 15.176 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -2.574 -4.121 15.811 1.00 1.41 H new ATOM 236 N GLU A 36 -0.836 -2.168 12.063 1.00 0.63 N ATOM 237 CA GLU A 36 0.353 -1.332 12.003 1.00 0.74 C ATOM 238 C GLU A 36 0.082 -0.012 11.297 1.00 0.67 C ATOM 239 O GLU A 36 0.758 0.987 11.541 1.00 0.82 O ATOM 240 CB GLU A 36 1.494 -2.104 11.323 1.00 0.85 C ATOM 241 CG GLU A 36 1.301 -2.362 9.830 1.00 0.95 C ATOM 242 CD GLU A 36 2.377 -3.269 9.271 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.508 -2.786 9.057 1.00 1.76 O ATOM 244 OE2 GLU A 36 2.103 -4.473 9.067 1.00 1.67 O ATOM 0 H GLU A 36 -0.835 -2.933 11.388 1.00 0.63 H new ATOM 0 HA GLU A 36 0.651 -1.085 13.022 1.00 0.74 H new ATOM 0 HB2 GLU A 36 2.422 -1.549 11.463 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.616 -3.062 11.829 1.00 0.85 H new ATOM 0 HG2 GLU A 36 0.323 -2.813 9.663 1.00 0.95 H new ATOM 0 HG3 GLU A 36 1.311 -1.413 9.293 1.00 0.95 H new ATOM 251 N ILE A 37 -0.912 -0.030 10.414 1.00 0.52 N ATOM 252 CA ILE A 37 -1.339 1.157 9.681 1.00 0.50 C ATOM 253 C ILE A 37 -2.127 2.080 10.610 1.00 0.53 C ATOM 254 O ILE A 37 -2.103 3.296 10.469 1.00 0.72 O ATOM 255 CB ILE A 37 -2.198 0.757 8.453 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.379 -0.108 7.488 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.750 1.983 7.735 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.189 -0.649 6.326 1.00 0.72 C ATOM 0 H ILE A 37 -1.445 -0.869 10.186 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.458 1.687 9.320 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.046 0.175 8.814 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.549 0.482 7.099 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -0.946 -0.943 8.039 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.347 1.666 6.880 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.374 2.556 8.421 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.924 2.605 7.390 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.547 -1.252 5.684 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.003 -1.266 6.706 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.600 0.181 5.751 1.00 0.72 H new ATOM 270 N GLN A 38 -2.807 1.480 11.571 1.00 0.48 N ATOM 271 CA GLN A 38 -3.559 2.215 12.577 1.00 0.52 C ATOM 272 C GLN A 38 -2.635 2.884 13.586 1.00 0.54 C ATOM 273 O GLN A 38 -2.900 3.988 14.059 1.00 0.64 O ATOM 274 CB GLN A 38 -4.514 1.257 13.266 1.00 0.56 C ATOM 275 CG GLN A 38 -5.851 1.129 12.558 1.00 0.78 C ATOM 276 CD GLN A 38 -6.707 2.363 12.746 1.00 0.72 C ATOM 277 OE1 GLN A 38 -7.534 2.409 13.663 1.00 1.11 O ATOM 278 NE2 GLN A 38 -6.473 3.394 11.923 1.00 0.74 N ATOM 0 H GLN A 38 -2.854 0.467 11.677 1.00 0.48 H new ATOM 0 HA GLN A 38 -4.124 3.011 12.091 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.048 0.273 13.329 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -4.683 1.596 14.288 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -5.684 0.961 11.494 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.382 0.257 12.939 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -5.779 3.306 11.180 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -6.988 4.266 12.039 1.00 0.74 H new ATOM 287 N LYS A 39 -1.528 2.205 13.872 1.00 0.54 N ATOM 288 CA LYS A 39 -0.550 2.656 14.853 1.00 0.62 C ATOM 289 C LYS A 39 0.269 3.802 14.300 1.00 0.58 C ATOM 290 O LYS A 39 0.918 4.539 15.036 1.00 0.66 O ATOM 291 CB LYS A 39 0.395 1.512 15.198 1.00 0.77 C ATOM 292 CG LYS A 39 -0.278 0.327 15.844 1.00 1.28 C ATOM 293 CD LYS A 39 0.703 -0.804 16.039 1.00 1.57 C ATOM 294 CE LYS A 39 0.315 -1.652 17.223 1.00 2.08 C ATOM 295 NZ LYS A 39 1.264 -2.767 17.447 1.00 2.52 N ATOM 0 H LYS A 39 -1.284 1.321 13.426 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.086 2.988 15.742 1.00 0.62 H new ATOM 0 HB2 LYS A 39 0.894 1.180 14.287 1.00 0.77 H new ATOM 0 HB3 LYS A 39 1.170 1.885 15.868 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -0.698 0.621 16.806 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -1.109 -0.009 15.223 1.00 1.28 H new ATOM 0 HD2 LYS A 39 0.737 -1.420 15.141 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.705 -0.401 16.188 1.00 1.57 H new ATOM 0 HE2 LYS A 39 0.272 -1.028 18.116 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -0.686 -2.055 17.067 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 0.939 -3.343 18.250 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 1.312 -3.359 16.593 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 2.208 -2.383 17.656 1.00 2.52 H new ATOM 309 N HIS A 40 0.270 3.909 12.974 1.00 0.53 N ATOM 310 CA HIS A 40 1.069 4.909 12.292 1.00 0.56 C ATOM 311 C HIS A 40 0.234 6.135 12.018 1.00 0.65 C ATOM 312 O HIS A 40 0.759 7.230 11.857 1.00 0.93 O ATOM 313 CB HIS A 40 1.668 4.357 10.995 1.00 0.56 C ATOM 314 CG HIS A 40 2.878 3.509 11.235 1.00 0.93 C ATOM 315 ND1 HIS A 40 3.171 2.376 10.511 1.00 1.08 N ATOM 316 CD2 HIS A 40 3.880 3.653 12.127 1.00 1.39 C ATOM 317 CE1 HIS A 40 4.310 1.861 10.947 1.00 1.59 C ATOM 318 NE2 HIS A 40 4.761 2.622 11.928 1.00 1.80 N ATOM 0 H HIS A 40 -0.277 3.312 12.354 1.00 0.53 H new ATOM 0 HA HIS A 40 1.899 5.185 12.942 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.914 3.768 10.473 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.934 5.187 10.340 1.00 0.56 H new ATOM 0 HD1 HIS A 40 2.600 1.993 9.757 1.00 1.08 H new ATOM 0 HD2 HIS A 40 3.971 4.438 12.864 1.00 1.39 H new ATOM 0 HE1 HIS A 40 4.789 0.971 10.566 1.00 1.59 H new ATOM 327 N ASN A 41 -1.060 5.940 12.022 1.00 0.56 N ATOM 328 CA ASN A 41 -2.008 7.015 11.780 1.00 0.64 C ATOM 329 C ASN A 41 -2.430 7.626 13.089 1.00 0.82 C ATOM 330 O ASN A 41 -3.536 7.402 13.566 1.00 1.20 O ATOM 331 CB ASN A 41 -3.216 6.500 11.025 1.00 0.69 C ATOM 332 CG ASN A 41 -2.966 6.530 9.533 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.023 7.589 8.908 1.00 1.76 O ATOM 334 ND2 ASN A 41 -2.683 5.381 8.948 1.00 1.74 N ATOM 0 H ASN A 41 -1.494 5.033 12.193 1.00 0.56 H new ATOM 0 HA ASN A 41 -1.525 7.779 11.170 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -3.441 5.481 11.341 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.088 7.108 11.265 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -2.502 5.350 7.945 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -2.645 4.524 9.499 1.00 1.74 H new ATOM 341 N HIS A 42 -1.517 8.387 13.685 1.00 0.73 N ATOM 342 CA HIS A 42 -1.647 8.753 15.083 1.00 0.97 C ATOM 343 C HIS A 42 -0.997 10.098 15.400 1.00 1.06 C ATOM 344 O HIS A 42 -1.422 10.777 16.334 1.00 1.54 O ATOM 345 CB HIS A 42 -1.048 7.634 15.967 1.00 1.05 C ATOM 346 CG HIS A 42 0.449 7.425 15.867 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.194 7.655 14.727 1.00 0.81 N ATOM 348 CD2 HIS A 42 1.335 6.985 16.795 1.00 1.14 C ATOM 349 CE1 HIS A 42 2.463 7.375 14.965 1.00 0.87 C ATOM 350 NE2 HIS A 42 2.579 6.967 16.207 1.00 1.08 N ATOM 0 H HIS A 42 -0.687 8.758 13.222 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.709 8.865 15.300 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.294 7.851 17.006 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.542 6.696 15.712 1.00 1.05 H new ATOM 0 HD2 HIS A 42 1.106 6.700 17.811 1.00 1.14 H new ATOM 0 HE1 HIS A 42 3.271 7.467 14.255 1.00 0.87 H new ATOM 0 HE2 HIS A 42 3.447 6.684 16.661 1.00 1.08 H new ATOM 359 N SER A 43 0.026 10.476 14.620 1.00 1.01 N ATOM 360 CA SER A 43 0.846 11.648 14.916 1.00 1.12 C ATOM 361 C SER A 43 2.108 11.647 14.047 1.00 0.97 C ATOM 362 O SER A 43 2.237 12.396 13.085 1.00 1.05 O ATOM 363 CB SER A 43 1.271 11.652 16.395 1.00 1.34 C ATOM 364 OG SER A 43 1.677 10.356 16.827 1.00 2.00 O ATOM 0 H SER A 43 0.303 9.979 13.774 1.00 1.01 H new ATOM 0 HA SER A 43 0.249 12.535 14.704 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.090 12.357 16.537 1.00 1.34 H new ATOM 0 HB3 SER A 43 0.442 11.999 17.012 1.00 1.34 H new ATOM 0 HG SER A 43 1.942 10.393 17.770 1.00 2.00 H new ATOM 370 N LYS A 44 3.021 10.749 14.416 1.00 0.89 N ATOM 371 CA LYS A 44 4.354 10.632 13.815 1.00 0.89 C ATOM 372 C LYS A 44 4.325 10.174 12.360 1.00 0.77 C ATOM 373 O LYS A 44 5.371 10.095 11.732 1.00 0.94 O ATOM 374 CB LYS A 44 5.180 9.635 14.628 1.00 1.01 C ATOM 375 CG LYS A 44 5.550 10.128 16.016 1.00 1.53 C ATOM 376 CD LYS A 44 6.693 11.138 15.973 1.00 2.16 C ATOM 377 CE LYS A 44 7.988 10.505 15.480 1.00 2.63 C ATOM 378 NZ LYS A 44 9.167 11.394 15.671 1.00 3.26 N ATOM 0 H LYS A 44 2.853 10.067 15.156 1.00 0.89 H new ATOM 0 HA LYS A 44 4.796 11.628 13.829 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.619 8.705 14.721 1.00 1.01 H new ATOM 0 HB3 LYS A 44 6.093 9.403 14.080 1.00 1.01 H new ATOM 0 HG2 LYS A 44 4.678 10.586 16.484 1.00 1.53 H new ATOM 0 HG3 LYS A 44 5.837 9.280 16.638 1.00 1.53 H new ATOM 0 HD2 LYS A 44 6.421 11.967 15.319 1.00 2.16 H new ATOM 0 HD3 LYS A 44 6.848 11.555 16.968 1.00 2.16 H new ATOM 0 HE2 LYS A 44 8.155 9.567 16.010 1.00 2.63 H new ATOM 0 HE3 LYS A 44 7.889 10.260 14.422 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 10.022 10.917 15.320 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 9.023 12.279 15.144 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 9.281 11.608 16.682 1.00 3.26 H new ATOM 392 N SER A 45 3.149 9.846 11.841 1.00 0.63 N ATOM 393 CA SER A 45 3.023 9.450 10.448 1.00 0.62 C ATOM 394 C SER A 45 1.577 9.578 9.970 1.00 0.65 C ATOM 395 O SER A 45 0.680 9.913 10.749 1.00 1.05 O ATOM 396 CB SER A 45 3.560 8.027 10.237 1.00 0.65 C ATOM 397 OG SER A 45 3.525 7.641 8.872 1.00 1.31 O ATOM 0 H SER A 45 2.273 9.847 12.363 1.00 0.63 H new ATOM 0 HA SER A 45 3.628 10.127 9.845 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.585 7.968 10.604 1.00 0.65 H new ATOM 0 HB3 SER A 45 2.970 7.326 10.827 1.00 0.65 H new ATOM 0 HG SER A 45 3.876 6.731 8.780 1.00 1.31 H new ATOM 403 N THR A 46 1.350 9.295 8.698 1.00 0.43 N ATOM 404 CA THR A 46 0.032 9.398 8.099 1.00 0.42 C ATOM 405 C THR A 46 -0.084 8.447 6.900 1.00 0.39 C ATOM 406 O THR A 46 0.578 8.634 5.879 1.00 0.47 O ATOM 407 CB THR A 46 -0.271 10.842 7.640 1.00 0.51 C ATOM 408 OG1 THR A 46 -0.156 11.748 8.742 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.664 10.946 7.041 1.00 0.64 C ATOM 0 H THR A 46 2.076 8.987 8.052 1.00 0.43 H new ATOM 0 HA THR A 46 -0.696 9.119 8.861 1.00 0.42 H new ATOM 0 HB THR A 46 0.458 11.107 6.874 1.00 0.51 H new ATOM 0 HG1 THR A 46 -0.349 12.659 8.438 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.849 11.973 6.727 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.740 10.284 6.179 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.404 10.656 7.787 1.00 0.64 H new ATOM 417 N TRP A 47 -0.910 7.420 7.036 1.00 0.37 N ATOM 418 CA TRP A 47 -1.099 6.421 5.974 1.00 0.36 C ATOM 419 C TRP A 47 -2.576 6.314 5.601 1.00 0.37 C ATOM 420 O TRP A 47 -3.450 6.519 6.439 1.00 0.50 O ATOM 421 CB TRP A 47 -0.579 5.032 6.397 1.00 0.37 C ATOM 422 CG TRP A 47 0.916 4.921 6.491 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.828 5.911 6.287 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.676 3.746 6.808 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.095 5.430 6.441 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.033 4.107 6.757 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.343 2.427 7.117 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.054 3.205 7.012 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.353 1.528 7.371 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.698 1.920 7.310 1.00 0.47 C ATOM 0 H TRP A 47 -1.467 7.249 7.873 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.524 6.755 5.111 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -1.010 4.778 7.365 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.940 4.292 5.683 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.583 6.933 6.038 1.00 0.38 H new ATOM 0 HE1 TRP A 47 3.951 5.974 6.336 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.309 2.117 7.156 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.091 3.506 6.977 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 2.107 0.507 7.621 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.470 1.190 7.503 1.00 0.47 H new ATOM 441 N LEU A 48 -2.871 5.975 4.358 1.00 0.31 N ATOM 442 CA LEU A 48 -4.258 5.782 3.978 1.00 0.31 C ATOM 443 C LEU A 48 -4.424 4.482 3.206 1.00 0.28 C ATOM 444 O LEU A 48 -3.450 3.760 2.976 1.00 0.29 O ATOM 445 CB LEU A 48 -4.816 6.955 3.162 1.00 0.37 C ATOM 446 CG LEU A 48 -4.207 7.153 1.770 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.202 7.865 0.880 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.907 7.948 1.834 1.00 0.55 C ATOM 0 H LEU A 48 -2.189 5.831 3.613 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.832 5.731 4.903 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.891 6.815 3.050 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.671 7.871 3.734 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.976 6.171 1.358 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.769 8.006 -0.110 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.109 7.267 0.797 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.446 8.836 1.311 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.504 8.068 0.828 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -3.102 8.929 2.267 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.185 7.415 2.453 1.00 0.55 H new ATOM 460 N ILE A 49 -5.652 4.181 2.809 1.00 0.34 N ATOM 461 CA ILE A 49 -5.921 2.970 2.057 1.00 0.36 C ATOM 462 C ILE A 49 -6.796 3.246 0.839 1.00 0.42 C ATOM 463 O ILE A 49 -7.936 3.691 0.970 1.00 0.65 O ATOM 464 CB ILE A 49 -6.589 1.893 2.944 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.630 1.488 4.067 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.979 0.683 2.107 1.00 0.49 C ATOM 467 CD1 ILE A 49 -6.242 0.545 5.067 1.00 0.46 C ATOM 0 H ILE A 49 -6.473 4.757 2.995 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.957 2.595 1.713 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.497 2.304 3.385 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.748 1.019 3.630 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.291 2.385 4.585 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.448 -0.066 2.746 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.681 0.988 1.331 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -6.088 0.258 1.644 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.507 0.300 5.834 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -7.107 1.018 5.532 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.556 -0.368 4.561 1.00 0.46 H new ATOM 479 N LEU A 50 -6.249 2.997 -0.341 1.00 0.41 N ATOM 480 CA LEU A 50 -7.013 3.078 -1.580 1.00 0.53 C ATOM 481 C LEU A 50 -7.049 1.703 -2.229 1.00 0.78 C ATOM 482 O LEU A 50 -6.026 1.243 -2.731 1.00 1.77 O ATOM 483 CB LEU A 50 -6.392 4.070 -2.568 1.00 0.49 C ATOM 484 CG LEU A 50 -6.413 5.553 -2.166 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.877 6.401 -3.310 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.812 6.004 -1.800 1.00 0.99 C ATOM 0 H LEU A 50 -5.271 2.735 -0.468 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.017 3.424 -1.334 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.355 3.778 -2.736 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -6.910 3.969 -3.522 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.779 5.678 -1.288 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.893 7.452 -3.022 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.853 6.102 -3.536 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.500 6.257 -4.193 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.793 7.057 -1.520 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.474 5.867 -2.655 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.177 5.412 -0.961 1.00 0.99 H new ATOM 498 N HIS A 51 -8.202 1.052 -2.230 1.00 0.67 N ATOM 499 CA HIS A 51 -8.345 -0.229 -2.936 1.00 0.73 C ATOM 500 C HIS A 51 -7.323 -1.254 -2.452 1.00 0.82 C ATOM 501 O HIS A 51 -6.523 -1.729 -3.257 1.00 1.80 O ATOM 502 CB HIS A 51 -8.154 -0.024 -4.447 1.00 0.79 C ATOM 503 CG HIS A 51 -9.385 0.409 -5.161 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.084 -0.422 -5.994 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.041 1.580 -5.163 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.121 0.213 -6.478 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.133 1.438 -5.992 1.00 2.30 N ATOM 0 H HIS A 51 -9.046 1.377 -1.759 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.347 -0.604 -2.727 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.374 0.720 -4.606 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -7.800 -0.956 -4.887 1.00 0.79 H new ATOM 0 HD1 HIS A 51 -9.835 -1.388 -6.205 1.00 1.87 H new ATOM 0 HD2 HIS A 51 -9.764 2.469 -4.616 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -11.847 -0.199 -7.163 1.00 2.45 H new ATOM 516 N HIS A 52 -7.344 -1.574 -1.151 1.00 0.46 N ATOM 517 CA HIS A 52 -6.358 -2.489 -0.530 1.00 0.42 C ATOM 518 C HIS A 52 -4.990 -1.830 -0.370 1.00 0.43 C ATOM 519 O HIS A 52 -4.283 -2.066 0.609 1.00 0.81 O ATOM 520 CB HIS A 52 -6.159 -3.768 -1.354 1.00 0.58 C ATOM 521 CG HIS A 52 -7.336 -4.674 -1.435 1.00 1.12 C ATOM 522 ND1 HIS A 52 -7.351 -5.777 -2.254 1.00 1.75 N ATOM 523 CD2 HIS A 52 -8.530 -4.660 -0.796 1.00 1.81 C ATOM 524 CE1 HIS A 52 -8.499 -6.410 -2.123 1.00 2.34 C ATOM 525 NE2 HIS A 52 -9.240 -5.753 -1.244 1.00 2.36 N ATOM 0 H HIS A 52 -8.038 -1.212 -0.497 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.772 -2.737 0.448 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -5.872 -3.485 -2.367 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.324 -4.325 -0.930 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -8.863 -3.931 -0.072 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -8.787 -7.311 -2.644 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -10.181 -6.013 -0.947 1.00 2.36 H new ATOM 534 N LYS A 53 -4.597 -1.041 -1.365 1.00 0.33 N ATOM 535 CA LYS A 53 -3.272 -0.470 -1.383 1.00 0.36 C ATOM 536 C LYS A 53 -3.082 0.491 -0.209 1.00 0.29 C ATOM 537 O LYS A 53 -3.894 1.402 -0.008 1.00 0.32 O ATOM 538 CB LYS A 53 -2.985 0.268 -2.693 1.00 0.45 C ATOM 539 CG LYS A 53 -3.690 -0.301 -3.921 1.00 0.66 C ATOM 540 CD LYS A 53 -3.370 -1.765 -4.161 1.00 0.95 C ATOM 541 CE LYS A 53 -4.179 -2.311 -5.325 1.00 1.25 C ATOM 542 NZ LYS A 53 -4.004 -3.784 -5.507 1.00 1.76 N ATOM 0 H LYS A 53 -5.181 -0.788 -2.162 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.569 -1.298 -1.295 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.277 1.312 -2.576 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.910 0.256 -2.872 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -4.767 -0.185 -3.802 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.402 0.277 -4.799 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -2.306 -1.880 -4.366 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -3.585 -2.341 -3.261 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -5.234 -2.092 -5.163 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -3.883 -1.798 -6.240 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -4.451 -4.079 -6.398 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -2.990 -4.012 -5.536 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -4.449 -4.287 -4.713 1.00 1.76 H new ATOM 556 N VAL A 54 -2.033 0.285 0.562 1.00 0.27 N ATOM 557 CA VAL A 54 -1.673 1.202 1.629 1.00 0.25 C ATOM 558 C VAL A 54 -0.679 2.240 1.103 1.00 0.23 C ATOM 559 O VAL A 54 0.287 1.902 0.409 1.00 0.25 O ATOM 560 CB VAL A 54 -1.075 0.460 2.852 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.132 -0.376 2.464 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.697 1.446 3.952 1.00 0.32 C ATOM 0 H VAL A 54 -1.409 -0.516 0.469 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.583 1.701 1.964 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.844 -0.213 3.230 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.524 -0.881 3.347 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.163 -1.118 1.722 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.903 0.270 2.044 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.280 0.903 4.800 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.044 2.149 3.571 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.585 1.992 4.272 1.00 0.32 H new ATOM 572 N TYR A 55 -0.938 3.498 1.407 1.00 0.23 N ATOM 573 CA TYR A 55 -0.074 4.575 0.968 1.00 0.25 C ATOM 574 C TYR A 55 0.610 5.234 2.159 1.00 0.27 C ATOM 575 O TYR A 55 0.171 5.073 3.293 1.00 0.35 O ATOM 576 CB TYR A 55 -0.859 5.655 0.230 1.00 0.27 C ATOM 577 CG TYR A 55 -1.396 5.263 -1.130 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.395 4.302 -1.233 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.855 5.780 -2.307 1.00 0.83 C ATOM 580 CE1 TYR A 55 -2.884 3.905 -2.464 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.340 5.381 -3.541 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.429 4.659 -3.645 1.00 0.42 C ATOM 583 OH TYR A 55 -2.819 4.015 -4.835 1.00 0.49 O ATOM 0 H TYR A 55 -1.742 3.799 1.958 1.00 0.23 H new ATOM 0 HA TYR A 55 0.663 4.132 0.298 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.697 5.961 0.856 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.216 6.527 0.109 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.797 3.857 -0.335 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.050 6.498 -2.255 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.571 3.077 -2.556 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -0.810 5.671 -4.436 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.507 4.534 -5.605 1.00 0.49 H new ATOM 593 N ASP A 56 1.646 6.008 1.875 1.00 0.34 N ATOM 594 CA ASP A 56 2.257 6.886 2.855 1.00 0.38 C ATOM 595 C ASP A 56 2.221 8.309 2.316 1.00 0.38 C ATOM 596 O ASP A 56 2.580 8.528 1.160 1.00 0.48 O ATOM 597 CB ASP A 56 3.716 6.482 3.143 1.00 0.47 C ATOM 598 CG ASP A 56 4.449 7.455 4.057 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.787 8.579 3.617 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.739 7.089 5.214 1.00 1.32 O ATOM 0 H ASP A 56 2.086 6.043 0.956 1.00 0.34 H new ATOM 0 HA ASP A 56 1.701 6.811 3.789 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.727 5.491 3.597 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.256 6.406 2.199 1.00 0.47 H new ATOM 605 N LEU A 57 1.771 9.271 3.101 1.00 0.37 N ATOM 606 CA LEU A 57 1.888 10.653 2.668 1.00 0.39 C ATOM 607 C LEU A 57 3.038 11.335 3.385 1.00 0.51 C ATOM 608 O LEU A 57 4.066 11.613 2.772 1.00 1.12 O ATOM 609 CB LEU A 57 0.605 11.456 2.874 1.00 0.45 C ATOM 610 CG LEU A 57 -0.652 10.887 2.210 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.841 11.793 2.473 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.443 10.708 0.709 1.00 1.27 C ATOM 0 H LEU A 57 1.335 9.131 4.012 1.00 0.37 H new ATOM 0 HA LEU A 57 2.080 10.625 1.595 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.420 11.541 3.945 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.767 12.466 2.497 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.853 9.907 2.644 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.728 11.377 1.995 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -2.009 11.870 3.547 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.641 12.784 2.065 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.350 10.303 0.261 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.214 11.673 0.256 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.385 10.021 0.536 1.00 1.27 H new ATOM 624 N THR A 58 2.843 11.556 4.692 1.00 0.54 N ATOM 625 CA THR A 58 3.800 12.230 5.571 1.00 0.56 C ATOM 626 C THR A 58 4.360 13.517 4.957 1.00 0.66 C ATOM 627 O THR A 58 3.846 14.613 5.179 1.00 1.15 O ATOM 628 CB THR A 58 4.945 11.296 6.017 1.00 0.65 C ATOM 629 OG1 THR A 58 5.606 10.715 4.881 1.00 1.43 O ATOM 630 CG2 THR A 58 4.414 10.196 6.935 1.00 1.12 C ATOM 0 H THR A 58 1.994 11.263 5.176 1.00 0.54 H new ATOM 0 HA THR A 58 3.234 12.511 6.459 1.00 0.56 H new ATOM 0 HB THR A 58 5.670 11.894 6.569 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.168 9.871 4.644 1.00 1.43 H new ATOM 0 HG21 THR A 58 5.236 9.548 7.239 1.00 1.12 H new ATOM 0 HG22 THR A 58 3.961 10.646 7.818 1.00 1.12 H new ATOM 0 HG23 THR A 58 3.666 9.608 6.403 1.00 1.12 H new ATOM 638 N LYS A 59 5.406 13.358 4.178 1.00 0.57 N ATOM 639 CA LYS A 59 6.005 14.436 3.399 1.00 0.58 C ATOM 640 C LYS A 59 4.968 15.085 2.458 1.00 0.48 C ATOM 641 O LYS A 59 4.973 16.299 2.239 1.00 0.54 O ATOM 642 CB LYS A 59 7.180 13.849 2.617 1.00 0.69 C ATOM 643 CG LYS A 59 6.788 12.661 1.741 1.00 1.37 C ATOM 644 CD LYS A 59 7.991 11.810 1.371 1.00 1.96 C ATOM 645 CE LYS A 59 8.613 11.136 2.589 1.00 2.58 C ATOM 646 NZ LYS A 59 7.681 10.161 3.222 1.00 3.59 N ATOM 0 H LYS A 59 5.879 12.462 4.061 1.00 0.57 H new ATOM 0 HA LYS A 59 6.358 15.227 4.060 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.615 14.627 1.989 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.954 13.535 3.318 1.00 0.69 H new ATOM 0 HG2 LYS A 59 6.057 12.047 2.267 1.00 1.37 H new ATOM 0 HG3 LYS A 59 6.306 13.023 0.833 1.00 1.37 H new ATOM 0 HD2 LYS A 59 7.689 11.049 0.651 1.00 1.96 H new ATOM 0 HD3 LYS A 59 8.739 12.434 0.881 1.00 1.96 H new ATOM 0 HE2 LYS A 59 9.528 10.623 2.292 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.895 11.895 3.319 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 8.197 9.593 3.924 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 6.908 10.674 3.692 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 7.286 9.534 2.492 1.00 3.59 H new ATOM 660 N PHE A 60 4.063 14.243 1.945 1.00 0.40 N ATOM 661 CA PHE A 60 3.186 14.590 0.814 1.00 0.35 C ATOM 662 C PHE A 60 2.137 15.656 1.167 1.00 0.36 C ATOM 663 O PHE A 60 1.565 16.301 0.281 1.00 0.40 O ATOM 664 CB PHE A 60 2.520 13.316 0.258 1.00 0.37 C ATOM 665 CG PHE A 60 1.853 13.515 -1.059 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.599 13.698 -2.195 1.00 1.62 C ATOM 667 CD2 PHE A 60 0.478 13.508 -1.155 1.00 1.40 C ATOM 668 CE1 PHE A 60 1.986 13.906 -3.415 1.00 2.01 C ATOM 669 CE2 PHE A 60 -0.147 13.711 -2.367 1.00 1.72 C ATOM 670 CZ PHE A 60 0.610 13.903 -3.506 1.00 1.72 C ATOM 0 H PHE A 60 3.916 13.299 2.302 1.00 0.40 H new ATOM 0 HA PHE A 60 3.814 15.036 0.043 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.275 12.536 0.159 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.784 12.958 0.978 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.677 13.679 -2.135 1.00 1.62 H new ATOM 0 HD2 PHE A 60 -0.117 13.341 -0.269 1.00 1.40 H new ATOM 0 HE1 PHE A 60 2.585 14.071 -4.299 1.00 2.01 H new ATOM 0 HE2 PHE A 60 -1.225 13.720 -2.426 1.00 1.72 H new ATOM 0 HZ PHE A 60 0.128 14.050 -4.461 1.00 1.72 H new ATOM 680 N LEU A 61 1.917 15.826 2.480 1.00 0.38 N ATOM 681 CA LEU A 61 0.802 16.608 3.037 1.00 0.44 C ATOM 682 C LEU A 61 0.791 18.051 2.546 1.00 0.47 C ATOM 683 O LEU A 61 -0.265 18.686 2.478 1.00 0.60 O ATOM 684 CB LEU A 61 0.911 16.627 4.565 1.00 0.50 C ATOM 685 CG LEU A 61 0.900 15.248 5.252 1.00 0.56 C ATOM 686 CD1 LEU A 61 0.973 15.384 6.767 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.341 14.468 4.859 1.00 0.61 C ATOM 0 H LEU A 61 2.518 15.418 3.196 1.00 0.38 H new ATOM 0 HA LEU A 61 -0.119 16.129 2.704 1.00 0.44 H new ATOM 0 HB2 LEU A 61 1.832 17.142 4.839 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.085 17.217 4.963 1.00 0.50 H new ATOM 0 HG LEU A 61 1.783 14.704 4.916 1.00 0.56 H new ATOM 0 HD11 LEU A 61 0.963 14.394 7.222 1.00 0.72 H new ATOM 0 HD12 LEU A 61 1.892 15.901 7.042 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.115 15.955 7.123 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.332 13.497 5.353 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -1.230 15.021 5.162 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.354 14.325 3.779 1.00 0.61 H new ATOM 699 N GLU A 62 1.980 18.564 2.255 1.00 0.46 N ATOM 700 CA GLU A 62 2.158 19.955 1.866 1.00 0.55 C ATOM 701 C GLU A 62 2.304 20.091 0.351 1.00 0.53 C ATOM 702 O GLU A 62 2.330 21.195 -0.190 1.00 0.72 O ATOM 703 CB GLU A 62 3.381 20.532 2.609 1.00 0.68 C ATOM 704 CG GLU A 62 4.702 19.800 2.392 1.00 0.99 C ATOM 705 CD GLU A 62 5.536 20.369 1.261 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.531 21.603 1.086 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.243 19.594 0.588 1.00 1.62 O ATOM 0 H GLU A 62 2.847 18.027 2.282 1.00 0.46 H new ATOM 0 HA GLU A 62 1.272 20.525 2.147 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.510 21.571 2.304 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.163 20.538 3.677 1.00 0.68 H new ATOM 0 HG2 GLU A 62 5.283 19.836 3.314 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.496 18.750 2.186 1.00 0.99 H new ATOM 714 N GLU A 63 2.398 18.941 -0.309 1.00 0.42 N ATOM 715 CA GLU A 63 2.547 18.861 -1.763 1.00 0.48 C ATOM 716 C GLU A 63 1.186 18.698 -2.428 1.00 0.46 C ATOM 717 O GLU A 63 1.024 18.953 -3.627 1.00 0.66 O ATOM 718 CB GLU A 63 3.417 17.657 -2.118 1.00 0.59 C ATOM 719 CG GLU A 63 4.887 17.879 -1.843 1.00 1.05 C ATOM 720 CD GLU A 63 5.598 18.606 -2.965 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.246 19.778 -3.238 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.502 18.016 -3.585 1.00 1.83 O ATOM 0 H GLU A 63 2.373 18.031 0.151 1.00 0.42 H new ATOM 0 HA GLU A 63 3.012 19.781 -2.118 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.075 16.791 -1.551 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.284 17.420 -3.174 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.996 18.451 -0.921 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.369 16.915 -1.679 1.00 1.05 H new ATOM 729 N HIS A 64 0.221 18.240 -1.624 1.00 0.33 N ATOM 730 CA HIS A 64 -1.125 17.937 -2.081 1.00 0.32 C ATOM 731 C HIS A 64 -1.914 19.227 -2.327 1.00 0.42 C ATOM 732 O HIS A 64 -2.035 20.059 -1.427 1.00 0.52 O ATOM 733 CB HIS A 64 -1.817 17.055 -1.042 1.00 0.38 C ATOM 734 CG HIS A 64 -3.129 16.410 -1.430 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.342 16.727 -0.859 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.354 15.403 -2.348 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.284 15.933 -1.410 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.715 15.128 -2.310 1.00 0.36 N ATOM 0 H HIS A 64 0.361 18.070 -0.628 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.078 17.399 -3.028 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -1.124 16.262 -0.760 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.990 17.659 -0.151 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -4.500 17.438 -0.145 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.616 14.923 -2.973 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.335 15.947 -1.161 1.00 0.43 H new ATOM 746 N PRO A 65 -2.485 19.371 -3.547 1.00 0.51 N ATOM 747 CA PRO A 65 -3.064 20.636 -4.048 1.00 0.73 C ATOM 748 C PRO A 65 -4.284 21.141 -3.269 1.00 0.90 C ATOM 749 O PRO A 65 -4.738 22.266 -3.483 1.00 1.46 O ATOM 750 CB PRO A 65 -3.466 20.297 -5.492 1.00 0.96 C ATOM 751 CG PRO A 65 -3.601 18.820 -5.532 1.00 0.81 C ATOM 752 CD PRO A 65 -2.612 18.290 -4.538 1.00 0.55 C ATOM 0 HA PRO A 65 -2.342 21.446 -3.947 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -4.403 20.784 -5.763 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -2.712 20.641 -6.200 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.615 18.513 -5.276 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.395 18.436 -6.531 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.965 17.367 -4.078 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.655 18.066 -5.009 1.00 0.55 H new ATOM 760 N GLY A 66 -4.822 20.326 -2.372 1.00 1.08 N ATOM 761 CA GLY A 66 -5.998 20.751 -1.629 1.00 1.38 C ATOM 762 C GLY A 66 -6.418 19.807 -0.524 1.00 1.38 C ATOM 763 O GLY A 66 -6.840 18.687 -0.794 1.00 2.03 O ATOM 0 H GLY A 66 -4.475 19.394 -2.146 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -5.804 21.732 -1.197 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.829 20.868 -2.325 1.00 1.38 H new ATOM 767 N GLY A 67 -6.312 20.262 0.723 1.00 1.25 N ATOM 768 CA GLY A 67 -6.872 19.514 1.829 1.00 1.70 C ATOM 769 C GLY A 67 -5.838 19.028 2.834 1.00 1.24 C ATOM 770 O GLY A 67 -5.809 17.843 3.163 1.00 1.66 O ATOM 0 H GLY A 67 -5.849 21.133 0.983 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -7.600 20.140 2.346 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -7.413 18.654 1.435 1.00 1.70 H new ATOM 774 N GLU A 68 -5.013 19.945 3.339 1.00 1.38 N ATOM 775 CA GLU A 68 -4.015 19.613 4.355 1.00 1.18 C ATOM 776 C GLU A 68 -4.686 18.907 5.536 1.00 0.94 C ATOM 777 O GLU A 68 -4.355 17.776 5.909 1.00 0.98 O ATOM 778 CB GLU A 68 -3.328 20.891 4.851 1.00 1.50 C ATOM 779 CG GLU A 68 -2.216 20.634 5.855 1.00 1.48 C ATOM 780 CD GLU A 68 -1.772 21.889 6.567 1.00 2.09 C ATOM 781 OE1 GLU A 68 -0.979 22.652 5.982 1.00 2.25 O ATOM 782 OE2 GLU A 68 -2.204 22.112 7.717 1.00 2.88 O ATOM 0 H GLU A 68 -5.017 20.926 3.060 1.00 1.38 H new ATOM 0 HA GLU A 68 -3.271 18.950 3.913 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.917 21.428 3.996 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -4.075 21.541 5.307 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.557 19.905 6.590 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -1.363 20.192 5.341 1.00 1.48 H new ATOM 789 N GLU A 69 -5.651 19.617 6.117 1.00 0.91 N ATOM 790 CA GLU A 69 -6.374 19.154 7.293 1.00 0.84 C ATOM 791 C GLU A 69 -7.292 17.985 6.957 1.00 0.75 C ATOM 792 O GLU A 69 -7.491 17.078 7.761 1.00 0.78 O ATOM 793 CB GLU A 69 -7.183 20.312 7.895 1.00 0.97 C ATOM 794 CG GLU A 69 -8.077 21.017 6.897 1.00 1.64 C ATOM 795 CD GLU A 69 -8.785 22.216 7.498 1.00 1.97 C ATOM 796 OE1 GLU A 69 -8.692 22.416 8.731 1.00 2.27 O ATOM 797 OE2 GLU A 69 -9.427 22.966 6.739 1.00 2.63 O ATOM 0 H GLU A 69 -5.952 20.532 5.782 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.646 18.803 8.025 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -7.796 19.929 8.711 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.494 21.038 8.328 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -7.480 21.341 6.045 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -8.818 20.314 6.518 1.00 1.64 H new ATOM 804 N VAL A 70 -7.833 18.033 5.741 1.00 0.79 N ATOM 805 CA VAL A 70 -8.893 17.137 5.295 1.00 0.86 C ATOM 806 C VAL A 70 -8.391 15.705 5.162 1.00 0.82 C ATOM 807 O VAL A 70 -9.160 14.747 5.264 1.00 1.01 O ATOM 808 CB VAL A 70 -9.471 17.615 3.938 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.625 16.732 3.489 1.00 1.96 C ATOM 810 CG2 VAL A 70 -9.910 19.062 4.033 1.00 1.41 C ATOM 0 H VAL A 70 -7.542 18.705 5.030 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.679 17.157 6.050 1.00 0.86 H new ATOM 0 HB VAL A 70 -8.683 17.538 3.189 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -11.009 17.092 2.535 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.275 15.706 3.375 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -11.419 16.764 4.235 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -10.314 19.384 3.073 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -10.678 19.160 4.800 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -9.055 19.685 4.294 1.00 1.41 H new ATOM 820 N LEU A 71 -7.097 15.571 4.928 1.00 0.72 N ATOM 821 CA LEU A 71 -6.470 14.262 4.825 1.00 0.74 C ATOM 822 C LEU A 71 -6.633 13.482 6.135 1.00 0.70 C ATOM 823 O LEU A 71 -6.836 12.265 6.158 1.00 0.77 O ATOM 824 CB LEU A 71 -4.993 14.406 4.487 1.00 0.84 C ATOM 825 CG LEU A 71 -4.696 15.132 3.178 1.00 1.10 C ATOM 826 CD1 LEU A 71 -3.204 15.200 2.941 1.00 1.62 C ATOM 827 CD2 LEU A 71 -5.402 14.478 2.000 1.00 1.69 C ATOM 0 H LEU A 71 -6.457 16.355 4.805 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.963 13.710 4.025 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.501 14.939 5.300 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.548 13.412 4.442 1.00 0.84 H new ATOM 0 HG LEU A 71 -5.083 16.147 3.265 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -3.008 15.721 2.004 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.729 15.738 3.761 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.798 14.190 2.887 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.166 15.023 1.086 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -5.067 13.445 1.903 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -6.479 14.496 2.166 1.00 1.69 H new ATOM 839 N ARG A 72 -6.495 14.238 7.236 1.00 0.70 N ATOM 840 CA ARG A 72 -6.345 13.687 8.585 1.00 0.78 C ATOM 841 C ARG A 72 -7.547 12.871 9.017 1.00 0.92 C ATOM 842 O ARG A 72 -7.412 11.927 9.789 1.00 1.03 O ATOM 843 CB ARG A 72 -6.093 14.820 9.588 1.00 0.77 C ATOM 844 CG ARG A 72 -4.814 15.588 9.306 1.00 1.42 C ATOM 845 CD ARG A 72 -4.605 16.690 10.323 1.00 1.49 C ATOM 846 NE ARG A 72 -3.405 17.483 10.069 1.00 2.11 N ATOM 847 CZ ARG A 72 -2.860 18.286 10.983 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.381 18.341 12.210 1.00 2.24 N ATOM 849 NH2 ARG A 72 -1.806 19.032 10.681 1.00 3.47 N ATOM 0 H ARG A 72 -6.485 15.258 7.210 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.489 13.012 8.564 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.937 15.510 9.568 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.046 14.403 10.594 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.964 14.905 9.325 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.856 16.016 8.305 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -5.475 17.347 10.322 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -4.539 16.250 11.318 1.00 1.49 H new ATOM 0 HE ARG A 72 -2.964 17.420 9.151 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -4.193 17.770 12.445 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -2.967 18.954 12.913 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -1.406 18.994 9.743 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -1.395 19.644 11.386 1.00 3.47 H new ATOM 863 N GLU A 73 -8.718 13.265 8.505 1.00 1.13 N ATOM 864 CA GLU A 73 -9.996 12.671 8.885 1.00 1.55 C ATOM 865 C GLU A 73 -10.122 11.268 8.306 1.00 1.28 C ATOM 866 O GLU A 73 -10.822 10.416 8.849 1.00 1.60 O ATOM 867 CB GLU A 73 -11.137 13.538 8.353 1.00 1.97 C ATOM 868 CG GLU A 73 -12.513 13.187 8.916 1.00 2.63 C ATOM 869 CD GLU A 73 -12.676 13.587 10.367 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.760 14.804 10.652 1.00 3.55 O ATOM 871 OE2 GLU A 73 -12.700 12.686 11.230 1.00 3.65 O ATOM 0 H GLU A 73 -8.802 14.009 7.812 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.047 12.613 9.972 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.920 14.582 8.581 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -11.169 13.449 7.267 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -13.280 13.681 8.320 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.676 12.114 8.820 1.00 2.63 H new ATOM 878 N GLN A 74 -9.450 11.069 7.176 1.00 0.77 N ATOM 879 CA GLN A 74 -9.502 9.816 6.437 1.00 0.62 C ATOM 880 C GLN A 74 -8.218 9.041 6.669 1.00 0.56 C ATOM 881 O GLN A 74 -8.001 7.967 6.101 1.00 0.64 O ATOM 882 CB GLN A 74 -9.679 10.123 4.947 1.00 0.63 C ATOM 883 CG GLN A 74 -10.860 11.042 4.650 1.00 0.76 C ATOM 884 CD GLN A 74 -12.214 10.439 4.970 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.725 10.567 6.081 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.817 9.799 3.979 1.00 1.68 N ATOM 0 H GLN A 74 -8.853 11.776 6.747 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.342 9.212 6.780 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.767 10.584 4.568 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.812 9.187 4.405 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.741 11.963 5.220 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.837 11.315 3.595 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.358 9.715 3.072 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.740 9.390 4.123 1.00 1.68 H new ATOM 895 N ALA A 75 -7.360 9.621 7.494 1.00 0.55 N ATOM 896 CA ALA A 75 -6.073 9.031 7.792 1.00 0.58 C ATOM 897 C ALA A 75 -6.248 7.894 8.785 1.00 0.52 C ATOM 898 O ALA A 75 -6.663 8.112 9.927 1.00 0.70 O ATOM 899 CB ALA A 75 -5.112 10.076 8.344 1.00 0.70 C ATOM 0 H ALA A 75 -7.538 10.506 7.970 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.647 8.637 6.869 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -4.151 9.609 8.560 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.973 10.867 7.607 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.523 10.501 9.260 1.00 0.70 H new ATOM 905 N GLY A 76 -5.882 6.702 8.342 1.00 0.49 N ATOM 906 CA GLY A 76 -6.166 5.496 9.094 1.00 0.58 C ATOM 907 C GLY A 76 -6.535 4.388 8.155 1.00 0.48 C ATOM 908 O GLY A 76 -6.354 3.211 8.457 1.00 0.72 O ATOM 0 H GLY A 76 -5.387 6.546 7.464 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -5.295 5.210 9.684 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.980 5.677 9.795 1.00 0.58 H new ATOM 912 N GLY A 77 -7.057 4.783 7.010 1.00 0.42 N ATOM 913 CA GLY A 77 -7.382 3.836 5.974 1.00 0.52 C ATOM 914 C GLY A 77 -8.716 4.135 5.338 1.00 0.44 C ATOM 915 O GLY A 77 -9.235 5.233 5.501 1.00 0.78 O ATOM 0 H GLY A 77 -7.263 5.755 6.778 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -6.604 3.852 5.211 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -7.397 2.830 6.393 1.00 0.52 H new ATOM 919 N ASP A 78 -9.241 3.163 4.583 1.00 0.55 N ATOM 920 CA ASP A 78 -10.616 3.218 4.062 1.00 0.72 C ATOM 921 C ASP A 78 -10.855 4.329 3.040 1.00 0.67 C ATOM 922 O ASP A 78 -11.948 4.433 2.482 1.00 1.04 O ATOM 923 CB ASP A 78 -11.616 3.401 5.210 1.00 1.14 C ATOM 924 CG ASP A 78 -11.816 2.140 6.044 1.00 1.82 C ATOM 925 OD1 ASP A 78 -10.875 1.740 6.766 1.00 2.59 O ATOM 926 OD2 ASP A 78 -12.908 1.547 5.975 1.00 2.28 O ATOM 0 H ASP A 78 -8.731 2.321 4.316 1.00 0.55 H new ATOM 0 HA ASP A 78 -10.764 2.266 3.551 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -11.270 4.206 5.859 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -12.576 3.713 4.800 1.00 1.14 H new ATOM 931 N ALA A 79 -9.833 5.138 2.779 1.00 0.54 N ATOM 932 CA ALA A 79 -10.007 6.459 2.167 1.00 0.58 C ATOM 933 C ALA A 79 -10.343 6.409 0.681 1.00 0.56 C ATOM 934 O ALA A 79 -10.268 7.432 0.005 1.00 0.67 O ATOM 935 CB ALA A 79 -8.753 7.304 2.401 1.00 0.73 C ATOM 0 H ALA A 79 -8.862 4.901 2.983 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.869 6.917 2.653 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -8.885 8.285 1.945 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.588 7.421 3.472 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -7.892 6.809 1.953 1.00 0.73 H new ATOM 941 N THR A 80 -10.770 5.250 0.197 1.00 0.54 N ATOM 942 CA THR A 80 -11.075 5.066 -1.218 1.00 0.60 C ATOM 943 C THR A 80 -12.407 5.735 -1.598 1.00 0.65 C ATOM 944 O THR A 80 -12.738 5.861 -2.774 1.00 0.84 O ATOM 945 CB THR A 80 -11.107 3.563 -1.593 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.183 3.392 -3.006 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.284 2.859 -0.941 1.00 0.70 C ATOM 0 H THR A 80 -10.914 4.417 0.767 1.00 0.54 H new ATOM 0 HA THR A 80 -10.277 5.547 -1.784 1.00 0.60 H new ATOM 0 HB THR A 80 -10.181 3.120 -1.226 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.015 2.927 -3.235 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.280 1.806 -1.223 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.205 2.945 0.143 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.214 3.320 -1.274 1.00 0.70 H new ATOM 955 N GLU A 81 -13.141 6.190 -0.582 1.00 0.65 N ATOM 956 CA GLU A 81 -14.424 6.872 -0.761 1.00 0.79 C ATOM 957 C GLU A 81 -14.326 7.999 -1.794 1.00 0.85 C ATOM 958 O GLU A 81 -15.030 8.008 -2.802 1.00 0.98 O ATOM 959 CB GLU A 81 -14.880 7.422 0.597 1.00 0.91 C ATOM 960 CG GLU A 81 -16.158 8.228 0.527 1.00 1.54 C ATOM 961 CD GLU A 81 -16.576 8.773 1.873 1.00 1.82 C ATOM 962 OE1 GLU A 81 -16.027 9.815 2.282 1.00 2.27 O ATOM 963 OE2 GLU A 81 -17.452 8.166 2.524 1.00 2.27 O ATOM 0 H GLU A 81 -12.861 6.095 0.394 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.155 6.158 -1.140 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -15.023 6.590 1.287 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.089 8.047 1.010 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -16.024 9.055 -0.170 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -16.957 7.602 0.129 1.00 1.54 H new ATOM 970 N ASN A 82 -13.412 8.929 -1.527 1.00 0.82 N ATOM 971 CA ASN A 82 -13.260 10.146 -2.327 1.00 0.90 C ATOM 972 C ASN A 82 -12.678 9.836 -3.709 1.00 0.94 C ATOM 973 O ASN A 82 -12.738 10.651 -4.622 1.00 1.09 O ATOM 974 CB ASN A 82 -12.320 11.113 -1.593 1.00 0.93 C ATOM 975 CG ASN A 82 -12.199 12.469 -2.274 1.00 1.70 C ATOM 976 OD1 ASN A 82 -12.997 13.371 -2.037 1.00 2.41 O ATOM 977 ND2 ASN A 82 -11.186 12.618 -3.118 1.00 2.40 N ATOM 0 H ASN A 82 -12.755 8.862 -0.750 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.245 10.593 -2.462 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.681 11.257 -0.575 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -11.331 10.661 -1.520 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -11.048 13.508 -3.598 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -10.545 11.843 -3.287 1.00 2.40 H new ATOM 984 N PHE A 83 -12.077 8.658 -3.809 1.00 0.85 N ATOM 985 CA PHE A 83 -11.349 8.228 -4.996 1.00 0.89 C ATOM 986 C PHE A 83 -12.304 7.627 -6.021 1.00 1.02 C ATOM 987 O PHE A 83 -12.057 7.657 -7.227 1.00 1.17 O ATOM 988 CB PHE A 83 -10.300 7.187 -4.563 1.00 0.81 C ATOM 989 CG PHE A 83 -9.499 6.585 -5.676 1.00 0.86 C ATOM 990 CD1 PHE A 83 -8.502 7.323 -6.293 1.00 0.97 C ATOM 991 CD2 PHE A 83 -9.768 5.306 -6.140 1.00 1.20 C ATOM 992 CE1 PHE A 83 -7.759 6.783 -7.324 1.00 1.06 C ATOM 993 CE2 PHE A 83 -9.035 4.761 -7.171 1.00 1.33 C ATOM 994 CZ PHE A 83 -7.990 5.431 -7.702 1.00 1.13 C ATOM 0 H PHE A 83 -12.081 7.966 -3.060 1.00 0.85 H new ATOM 0 HA PHE A 83 -10.859 9.082 -5.463 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -9.615 7.657 -3.858 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -10.808 6.385 -4.028 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -8.304 8.332 -5.964 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -10.562 4.730 -5.687 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.015 7.377 -7.835 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -9.299 3.788 -7.558 1.00 1.33 H new ATOM 0 HZ PHE A 83 -7.334 4.944 -8.409 1.00 1.13 H new ATOM 1004 N GLU A 84 -13.391 7.068 -5.515 1.00 1.00 N ATOM 1005 CA GLU A 84 -14.340 6.344 -6.345 1.00 1.14 C ATOM 1006 C GLU A 84 -15.615 7.148 -6.548 1.00 1.24 C ATOM 1007 O GLU A 84 -16.461 6.789 -7.366 1.00 1.46 O ATOM 1008 CB GLU A 84 -14.633 4.993 -5.700 1.00 1.20 C ATOM 1009 CG GLU A 84 -13.423 4.070 -5.685 1.00 1.33 C ATOM 1010 CD GLU A 84 -13.693 2.711 -5.093 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -13.588 2.566 -3.860 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -13.934 1.765 -5.875 1.00 2.19 O ATOM 0 H GLU A 84 -13.639 7.102 -4.526 1.00 1.00 H new ATOM 0 HA GLU A 84 -13.907 6.182 -7.332 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -14.976 5.151 -4.678 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -15.447 4.508 -6.238 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -13.063 3.945 -6.706 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -12.622 4.548 -5.121 1.00 1.33 H new ATOM 1019 N ASP A 85 -15.731 8.240 -5.792 1.00 1.18 N ATOM 1020 CA ASP A 85 -16.842 9.180 -5.941 1.00 1.34 C ATOM 1021 C ASP A 85 -16.406 10.307 -6.873 1.00 1.45 C ATOM 1022 O ASP A 85 -16.108 10.075 -8.042 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.272 9.739 -4.574 1.00 1.35 C ATOM 1024 CG ASP A 85 -18.544 10.576 -4.633 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.640 9.995 -4.586 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -18.443 11.820 -4.747 1.00 1.81 O ATOM 0 H ASP A 85 -15.063 8.497 -5.065 1.00 1.18 H new ATOM 0 HA ASP A 85 -17.702 8.664 -6.368 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.424 8.910 -3.883 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.464 10.348 -4.169 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.331 11.517 -6.366 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.790 12.614 -7.150 1.00 1.50 C ATOM 1033 C VAL A 86 -14.728 13.332 -6.355 1.00 1.26 C ATOM 1034 O VAL A 86 -15.026 14.070 -5.411 1.00 1.87 O ATOM 1035 CB VAL A 86 -16.865 13.610 -7.611 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -16.228 14.717 -8.449 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -17.949 12.895 -8.400 1.00 2.64 C ATOM 0 H VAL A 86 -16.633 11.769 -5.425 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.357 12.180 -8.051 1.00 1.50 H new ATOM 0 HB VAL A 86 -17.326 14.061 -6.733 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -16.998 15.418 -8.771 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -15.485 15.244 -7.851 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -15.746 14.280 -9.324 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -18.702 13.615 -8.719 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -17.508 12.420 -9.276 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -18.416 12.136 -7.772 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.486 13.091 -6.726 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.391 13.695 -6.025 1.00 1.82 C ATOM 1049 C GLY A 87 -11.110 13.595 -6.805 1.00 1.46 C ATOM 1050 O GLY A 87 -10.362 14.561 -6.900 1.00 2.23 O ATOM 0 H GLY A 87 -13.220 12.486 -7.503 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.617 14.743 -5.830 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -12.267 13.210 -5.057 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.855 12.421 -7.366 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.646 12.213 -8.133 1.00 0.81 C ATOM 1056 C HIS A 88 -9.945 12.024 -9.609 1.00 0.89 C ATOM 1057 O HIS A 88 -11.086 11.766 -9.991 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.866 11.001 -7.615 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.106 11.275 -6.363 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.795 10.312 -5.420 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.549 12.432 -5.920 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.072 10.900 -4.450 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.913 12.163 -4.729 1.00 0.48 N ATOM 0 H HIS A 88 -11.467 11.607 -7.302 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.038 13.110 -8.012 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -9.561 10.181 -7.437 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -8.172 10.669 -8.387 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -8.066 9.329 -5.454 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -7.597 13.391 -6.414 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -6.683 10.402 -3.574 1.00 0.98 H new ATOM 1071 N SER A 89 -8.915 12.175 -10.425 1.00 0.81 N ATOM 1072 CA SER A 89 -8.974 11.799 -11.824 1.00 1.00 C ATOM 1073 C SER A 89 -7.794 10.872 -12.154 1.00 1.00 C ATOM 1074 O SER A 89 -7.168 10.332 -11.234 1.00 1.43 O ATOM 1075 CB SER A 89 -8.974 13.048 -12.708 1.00 1.22 C ATOM 1076 OG SER A 89 -7.856 13.885 -12.421 1.00 1.06 O ATOM 0 H SER A 89 -8.017 12.561 -10.135 1.00 0.81 H new ATOM 0 HA SER A 89 -9.900 11.258 -12.021 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.951 12.754 -13.757 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.898 13.606 -12.554 1.00 1.22 H new ATOM 0 HG SER A 89 -7.448 13.607 -11.574 1.00 1.06 H new ATOM 1082 N THR A 90 -7.474 10.690 -13.423 1.00 1.14 N ATOM 1083 CA THR A 90 -6.391 9.802 -13.809 1.00 1.15 C ATOM 1084 C THR A 90 -5.026 10.369 -13.399 1.00 1.15 C ATOM 1085 O THR A 90 -4.086 9.611 -13.169 1.00 1.72 O ATOM 1086 CB THR A 90 -6.425 9.541 -15.324 1.00 1.27 C ATOM 1087 OG1 THR A 90 -6.726 10.768 -16.016 1.00 1.45 O ATOM 1088 CG2 THR A 90 -7.467 8.476 -15.675 1.00 1.49 C ATOM 0 H THR A 90 -7.948 11.145 -14.203 1.00 1.14 H new ATOM 0 HA THR A 90 -6.533 8.858 -13.283 1.00 1.15 H new ATOM 0 HB THR A 90 -5.447 9.174 -15.635 1.00 1.27 H new ATOM 0 HG1 THR A 90 -6.746 10.602 -16.982 1.00 1.45 H new ATOM 0 HG21 THR A 90 -7.470 8.311 -16.752 1.00 1.49 H new ATOM 0 HG22 THR A 90 -7.221 7.544 -15.166 1.00 1.49 H new ATOM 0 HG23 THR A 90 -8.453 8.813 -15.357 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.943 11.699 -13.283 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.706 12.386 -12.906 1.00 0.97 C ATOM 1098 C ASP A 91 -3.141 11.811 -11.610 1.00 0.89 C ATOM 1099 O ASP A 91 -2.031 11.282 -11.561 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.974 13.883 -12.728 1.00 1.12 C ATOM 1101 CG ASP A 91 -2.743 14.737 -12.927 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -1.683 14.406 -12.363 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -2.840 15.752 -13.652 1.00 1.90 O ATOM 0 H ASP A 91 -5.730 12.327 -13.448 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.976 12.238 -13.702 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -4.742 14.194 -13.436 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -4.372 14.058 -11.728 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.955 11.895 -10.563 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.561 11.453 -9.222 1.00 0.90 C ATOM 1110 C ALA A 92 -3.364 9.948 -9.169 1.00 0.82 C ATOM 1111 O ALA A 92 -2.687 9.439 -8.282 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.596 11.869 -8.188 1.00 0.97 C ATOM 0 H ALA A 92 -4.903 12.269 -10.615 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.611 11.935 -8.990 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.281 11.530 -7.201 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.691 12.955 -8.185 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.558 11.421 -8.436 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.963 9.249 -10.118 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.844 7.807 -10.220 1.00 0.73 C ATOM 1120 C ARG A 93 -2.417 7.398 -10.586 1.00 0.69 C ATOM 1121 O ARG A 93 -1.939 6.331 -10.206 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.842 7.320 -11.277 1.00 0.82 C ATOM 1123 CG ARG A 93 -4.519 5.968 -11.872 1.00 1.64 C ATOM 1124 CD ARG A 93 -5.486 5.627 -12.992 1.00 1.70 C ATOM 1125 NE ARG A 93 -4.803 5.093 -14.173 1.00 2.71 N ATOM 1126 CZ ARG A 93 -5.441 4.605 -15.247 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -6.767 4.473 -15.241 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -4.756 4.232 -16.321 1.00 4.15 N ATOM 0 H ARG A 93 -4.547 9.668 -10.841 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.069 7.348 -9.257 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -5.834 7.277 -10.828 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.887 8.055 -12.081 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -3.498 5.968 -12.254 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -4.569 5.203 -11.097 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.211 4.897 -12.633 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.045 6.520 -13.271 1.00 1.70 H new ATOM 0 HE ARG A 93 -3.783 5.092 -14.179 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -7.303 4.744 -14.416 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -7.246 4.101 -16.061 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -3.740 4.316 -16.332 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -5.246 3.861 -17.135 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.746 8.292 -11.300 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.468 8.007 -11.932 1.00 0.60 C ATOM 1144 C GLU A 94 0.638 8.601 -11.071 1.00 0.58 C ATOM 1145 O GLU A 94 1.761 8.110 -11.009 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.455 8.611 -13.342 1.00 0.68 C ATOM 1147 CG GLU A 94 0.638 8.044 -14.242 1.00 1.19 C ATOM 1148 CD GLU A 94 0.454 6.562 -14.578 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -0.484 6.235 -15.337 1.00 2.11 O ATOM 1150 OE2 GLU A 94 1.224 5.720 -14.054 1.00 1.62 O ATOM 0 H GLU A 94 -2.078 9.244 -11.457 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.310 6.932 -12.021 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -1.424 8.439 -13.810 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.325 9.690 -13.264 1.00 0.68 H new ATOM 0 HG2 GLU A 94 0.666 8.617 -15.169 1.00 1.19 H new ATOM 0 HG3 GLU A 94 1.604 8.179 -13.755 1.00 1.19 H new ATOM 1157 N MET A 95 0.273 9.684 -10.400 1.00 0.48 N ATOM 1158 CA MET A 95 1.154 10.388 -9.484 1.00 0.49 C ATOM 1159 C MET A 95 1.334 9.586 -8.195 1.00 0.42 C ATOM 1160 O MET A 95 2.360 9.682 -7.521 1.00 0.50 O ATOM 1161 CB MET A 95 0.547 11.761 -9.174 1.00 0.53 C ATOM 1162 CG MET A 95 1.322 12.567 -8.141 1.00 0.65 C ATOM 1163 SD MET A 95 2.961 13.042 -8.710 1.00 1.09 S ATOM 1164 CE MET A 95 3.516 14.021 -7.317 1.00 1.75 C ATOM 0 H MET A 95 -0.654 10.102 -10.478 1.00 0.48 H new ATOM 0 HA MET A 95 2.134 10.514 -9.944 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.488 12.337 -10.098 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.474 11.623 -8.819 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.756 13.464 -7.889 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.416 11.981 -7.226 1.00 0.65 H new ATOM 0 HE1 MET A 95 4.522 14.393 -7.511 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.840 14.863 -7.172 1.00 1.75 H new ATOM 0 HE3 MET A 95 3.524 13.404 -6.419 1.00 1.75 H new ATOM 1174 N SER A 96 0.305 8.825 -7.847 1.00 0.34 N ATOM 1175 CA SER A 96 0.247 8.174 -6.552 1.00 0.31 C ATOM 1176 C SER A 96 0.892 6.801 -6.518 1.00 0.31 C ATOM 1177 O SER A 96 1.052 6.197 -5.454 1.00 0.33 O ATOM 1178 CB SER A 96 -1.203 8.042 -6.110 1.00 0.36 C ATOM 1179 OG SER A 96 -1.938 7.232 -7.013 1.00 1.13 O ATOM 0 H SER A 96 -0.500 8.645 -8.447 1.00 0.34 H new ATOM 0 HA SER A 96 0.817 8.809 -5.874 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.244 7.608 -5.111 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.659 9.030 -6.048 1.00 0.36 H new ATOM 0 HG SER A 96 -2.469 7.803 -7.607 1.00 1.13 H new ATOM 1185 N LYS A 97 1.252 6.320 -7.704 1.00 0.36 N ATOM 1186 CA LYS A 97 1.668 4.937 -7.897 1.00 0.43 C ATOM 1187 C LYS A 97 2.909 4.586 -7.087 1.00 0.41 C ATOM 1188 O LYS A 97 3.065 3.441 -6.653 1.00 0.48 O ATOM 1189 CB LYS A 97 1.912 4.665 -9.387 1.00 0.56 C ATOM 1190 CG LYS A 97 3.132 5.358 -9.973 1.00 0.83 C ATOM 1191 CD LYS A 97 3.159 5.248 -11.492 1.00 1.15 C ATOM 1192 CE LYS A 97 2.911 3.825 -11.959 1.00 1.56 C ATOM 1193 NZ LYS A 97 2.801 3.750 -13.440 1.00 2.15 N ATOM 0 H LYS A 97 1.263 6.879 -8.557 1.00 0.36 H new ATOM 0 HA LYS A 97 0.859 4.301 -7.537 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.018 3.590 -9.533 1.00 0.56 H new ATOM 0 HB3 LYS A 97 1.031 4.977 -9.947 1.00 0.56 H new ATOM 0 HG2 LYS A 97 3.130 6.409 -9.683 1.00 0.83 H new ATOM 0 HG3 LYS A 97 4.038 4.915 -9.559 1.00 0.83 H new ATOM 0 HD2 LYS A 97 2.402 5.907 -11.918 1.00 1.15 H new ATOM 0 HD3 LYS A 97 4.125 5.589 -11.864 1.00 1.15 H new ATOM 0 HE2 LYS A 97 3.724 3.183 -11.620 1.00 1.56 H new ATOM 0 HE3 LYS A 97 1.995 3.446 -11.505 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 2.194 2.947 -13.703 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 2.385 4.632 -13.802 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 3.747 3.619 -13.852 1.00 2.15 H new ATOM 1207 N THR A 98 3.787 5.577 -6.902 1.00 0.40 N ATOM 1208 CA THR A 98 5.067 5.366 -6.229 1.00 0.46 C ATOM 1209 C THR A 98 4.931 5.577 -4.718 1.00 0.41 C ATOM 1210 O THR A 98 5.907 5.471 -3.979 1.00 0.48 O ATOM 1211 CB THR A 98 6.146 6.321 -6.797 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.927 6.506 -8.203 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.551 5.758 -6.590 1.00 1.15 C ATOM 0 H THR A 98 3.631 6.536 -7.211 1.00 0.40 H new ATOM 0 HA THR A 98 5.374 4.336 -6.411 1.00 0.46 H new ATOM 0 HB THR A 98 6.068 7.270 -6.267 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.608 7.112 -8.563 1.00 1.01 H new ATOM 0 HG21 THR A 98 8.285 6.452 -7.000 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.735 5.622 -5.524 1.00 1.15 H new ATOM 0 HG23 THR A 98 7.637 4.798 -7.098 1.00 1.15 H new ATOM 1221 N PHE A 99 3.718 5.875 -4.281 1.00 0.32 N ATOM 1222 CA PHE A 99 3.415 6.028 -2.864 1.00 0.32 C ATOM 1223 C PHE A 99 2.771 4.757 -2.336 1.00 0.30 C ATOM 1224 O PHE A 99 2.563 4.599 -1.134 1.00 0.31 O ATOM 1225 CB PHE A 99 2.480 7.225 -2.644 1.00 0.34 C ATOM 1226 CG PHE A 99 3.131 8.551 -2.942 1.00 0.36 C ATOM 1227 CD1 PHE A 99 4.106 9.058 -2.112 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.742 9.296 -4.038 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.695 10.278 -2.372 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.325 10.521 -4.313 1.00 0.81 C ATOM 1231 CZ PHE A 99 4.365 10.977 -3.508 1.00 0.47 C ATOM 0 H PHE A 99 2.916 6.018 -4.895 1.00 0.32 H new ATOM 0 HA PHE A 99 4.343 6.210 -2.322 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.599 7.110 -3.276 1.00 0.34 H new ATOM 0 HB3 PHE A 99 2.134 7.222 -1.610 1.00 0.34 H new ATOM 0 HD1 PHE A 99 4.414 8.492 -1.245 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.970 8.917 -4.691 1.00 0.77 H new ATOM 0 HE1 PHE A 99 5.418 10.685 -1.680 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.977 11.117 -5.144 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.908 11.872 -3.774 1.00 0.47 H new ATOM 1241 N ILE A 100 2.460 3.847 -3.250 1.00 0.32 N ATOM 1242 CA ILE A 100 1.856 2.573 -2.896 1.00 0.32 C ATOM 1243 C ILE A 100 2.908 1.639 -2.315 1.00 0.34 C ATOM 1244 O ILE A 100 3.628 0.983 -3.063 1.00 0.43 O ATOM 1245 CB ILE A 100 1.232 1.875 -4.125 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.199 2.792 -4.777 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.600 0.550 -3.706 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.523 2.215 -5.984 1.00 0.38 C ATOM 0 H ILE A 100 2.619 3.971 -4.250 1.00 0.32 H new ATOM 0 HA ILE A 100 1.075 2.783 -2.165 1.00 0.32 H new ATOM 0 HB ILE A 100 2.013 1.666 -4.856 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.544 3.063 -4.027 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.697 3.713 -5.080 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.162 0.064 -4.578 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.364 -0.097 -3.275 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.178 0.736 -2.966 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -1.232 2.948 -6.368 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.203 1.971 -6.760 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -1.058 1.312 -5.691 1.00 0.38 H new ATOM 1260 N ILE A 101 3.001 1.572 -0.992 1.00 0.32 N ATOM 1261 CA ILE A 101 4.060 0.787 -0.357 1.00 0.35 C ATOM 1262 C ILE A 101 3.681 -0.686 -0.224 1.00 0.36 C ATOM 1263 O ILE A 101 4.546 -1.541 -0.025 1.00 0.43 O ATOM 1264 CB ILE A 101 4.436 1.365 1.032 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.209 1.365 1.970 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.005 2.769 0.864 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.473 1.923 3.362 1.00 0.38 C ATOM 0 H ILE A 101 2.369 2.042 -0.345 1.00 0.32 H new ATOM 0 HA ILE A 101 4.929 0.853 -1.011 1.00 0.35 H new ATOM 0 HB ILE A 101 5.198 0.735 1.490 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.413 1.947 1.505 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.842 0.343 2.066 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.269 3.174 1.841 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.895 2.728 0.236 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.259 3.410 0.395 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.556 1.883 3.950 1.00 0.38 H new ATOM 0 HD12 ILE A 101 4.244 1.329 3.852 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.808 2.957 3.282 1.00 0.38 H new ATOM 1279 N GLY A 102 2.401 -0.969 -0.342 1.00 0.33 N ATOM 1280 CA GLY A 102 1.942 -2.341 -0.300 1.00 0.39 C ATOM 1281 C GLY A 102 0.437 -2.419 -0.354 1.00 0.35 C ATOM 1282 O GLY A 102 -0.231 -1.420 -0.647 1.00 0.35 O ATOM 0 H GLY A 102 1.665 -0.274 -0.467 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.367 -2.894 -1.138 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.300 -2.818 0.612 1.00 0.39 H new ATOM 1286 N GLU A 103 -0.096 -3.591 -0.072 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.526 -3.723 0.175 1.00 0.42 C ATOM 1288 C GLU A 103 -1.740 -4.097 1.632 1.00 0.37 C ATOM 1289 O GLU A 103 -0.826 -3.952 2.450 1.00 0.39 O ATOM 1290 CB GLU A 103 -2.187 -4.767 -0.738 1.00 0.52 C ATOM 1291 CG GLU A 103 -2.189 -4.389 -2.208 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.979 -5.362 -3.065 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -2.387 -6.336 -3.564 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -4.193 -5.130 -3.260 1.00 1.85 O ATOM 0 H GLU A 103 0.431 -4.462 -0.007 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.996 -2.766 -0.049 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -1.669 -5.719 -0.619 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -3.216 -4.921 -0.412 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.609 -3.389 -2.321 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -1.161 -4.346 -2.569 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.925 -4.576 1.971 1.00 0.40 N ATOM 1302 CA LEU A 104 -3.180 -5.044 3.322 1.00 0.42 C ATOM 1303 C LEU A 104 -3.026 -6.557 3.410 1.00 0.42 C ATOM 1304 O LEU A 104 -3.143 -7.262 2.406 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.570 -4.644 3.791 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.719 -3.189 4.205 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -5.848 -2.540 3.426 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.970 -3.101 5.701 1.00 1.33 C ATOM 0 H LEU A 104 -3.719 -4.651 1.335 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.444 -4.573 3.973 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -5.280 -4.852 2.991 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.847 -5.276 4.635 1.00 0.51 H new ATOM 0 HG LEU A 104 -3.797 -2.653 3.979 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -5.947 -1.498 3.729 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -5.629 -2.588 2.359 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.780 -3.067 3.629 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -5.076 -2.056 5.991 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -5.884 -3.641 5.949 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -4.131 -3.543 6.237 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.746 -7.041 4.610 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.687 -8.472 4.881 1.00 0.53 C ATOM 1322 C HIS A 105 -4.053 -9.126 4.626 1.00 0.60 C ATOM 1323 O HIS A 105 -4.999 -8.470 4.177 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.248 -8.686 6.341 1.00 0.68 C ATOM 1325 CG HIS A 105 -0.761 -8.818 6.538 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -0.186 -9.843 7.258 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.268 -8.029 6.149 1.00 1.68 C ATOM 1328 CE1 HIS A 105 1.121 -9.670 7.301 1.00 2.41 C ATOM 1329 NE2 HIS A 105 1.424 -8.575 6.637 1.00 2.37 N ATOM 0 H HIS A 105 -2.553 -6.456 5.423 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.964 -8.939 4.212 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.607 -7.850 6.940 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -2.733 -9.584 6.724 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.190 -7.128 5.558 1.00 1.68 H new ATOM 0 HE1 HIS A 105 1.826 -10.320 7.799 1.00 2.41 H new ATOM 0 HE2 HIS A 105 2.362 -8.197 6.508 1.00 2.37 H new ATOM 1338 N PRO A 106 -4.170 -10.449 4.865 1.00 0.74 N ATOM 1339 CA PRO A 106 -5.466 -11.133 4.944 1.00 1.00 C ATOM 1340 C PRO A 106 -6.549 -10.325 5.680 1.00 1.18 C ATOM 1341 O PRO A 106 -7.743 -10.504 5.481 1.00 1.67 O ATOM 1342 CB PRO A 106 -5.112 -12.394 5.729 1.00 1.17 C ATOM 1343 CG PRO A 106 -3.728 -12.722 5.300 1.00 1.02 C ATOM 1344 CD PRO A 106 -3.050 -11.410 4.994 1.00 0.79 C ATOM 0 HA PRO A 106 -5.898 -11.307 3.958 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -5.164 -12.220 6.804 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -5.801 -13.208 5.504 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -3.196 -13.259 6.085 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -3.737 -13.368 4.422 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -2.365 -11.120 5.790 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -2.466 -11.467 4.076 1.00 0.79 H new ATOM 1352 N ASP A 107 -6.074 -9.445 6.545 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.876 -8.532 7.345 1.00 1.47 C ATOM 1354 C ASP A 107 -7.921 -7.836 6.493 1.00 1.22 C ATOM 1355 O ASP A 107 -8.972 -7.464 6.999 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.985 -7.444 7.953 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.766 -7.964 8.700 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -4.403 -9.145 8.528 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -4.137 -7.164 9.427 1.00 3.31 O ATOM 0 H ASP A 107 -5.074 -9.342 6.717 1.00 1.16 H new ATOM 0 HA ASP A 107 -7.360 -9.122 8.124 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.650 -6.781 7.156 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.584 -6.843 8.637 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.615 -7.618 5.217 1.00 0.95 N ATOM 1365 CA ASP A 108 -8.489 -6.832 4.352 1.00 1.11 C ATOM 1366 C ASP A 108 -8.582 -7.396 2.937 1.00 1.14 C ATOM 1367 O ASP A 108 -9.590 -7.324 2.269 1.00 1.53 O ATOM 1368 CB ASP A 108 -7.977 -5.402 4.280 1.00 1.39 C ATOM 1369 CG ASP A 108 -8.827 -4.535 3.389 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -9.832 -3.990 3.886 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -8.501 -4.394 2.191 1.00 3.44 O ATOM 0 H ASP A 108 -6.774 -7.972 4.761 1.00 0.95 H new ATOM 0 HA ASP A 108 -9.487 -6.869 4.788 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -7.954 -4.976 5.283 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.952 -5.404 3.911 1.00 1.39 H new ATOM 1376 N ARG A 109 -7.450 -7.975 2.521 1.00 0.99 N ATOM 1377 CA ARG A 109 -7.244 -8.456 1.145 1.00 1.18 C ATOM 1378 C ARG A 109 -8.293 -9.478 0.674 1.00 1.48 C ATOM 1379 O ARG A 109 -8.858 -9.329 -0.427 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.825 -9.064 0.995 1.00 1.11 C ATOM 1381 CG ARG A 109 -5.458 -9.398 -0.440 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.723 -10.719 -0.537 1.00 1.73 C ATOM 1383 NE ARG A 109 -4.104 -10.905 -1.842 1.00 2.25 N ATOM 1384 CZ ARG A 109 -4.357 -11.925 -2.669 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -5.192 -12.894 -2.335 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -3.752 -11.975 -3.838 1.00 3.35 N ATOM 0 H ARG A 109 -6.646 -8.125 3.130 1.00 0.99 H new ATOM 0 HA ARG A 109 -7.356 -7.580 0.506 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -5.093 -8.362 1.395 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.761 -9.969 1.598 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -6.363 -9.439 -1.047 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.835 -8.604 -0.851 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.957 -10.765 0.237 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -5.419 -11.536 -0.346 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.427 -10.206 -2.148 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -5.660 -12.874 -1.429 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -5.368 -13.661 -2.983 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -3.097 -11.240 -4.105 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -3.938 -12.749 -4.476 1.00 3.35 H new ATOM 1400 N PRO A 110 -8.513 -10.572 1.451 1.00 1.77 N ATOM 1401 CA PRO A 110 -9.518 -11.549 1.090 1.00 2.09 C ATOM 1402 C PRO A 110 -10.935 -11.171 1.530 1.00 2.31 C ATOM 1403 O PRO A 110 -11.900 -11.567 0.880 1.00 2.89 O ATOM 1404 CB PRO A 110 -9.062 -12.839 1.792 1.00 2.66 C ATOM 1405 CG PRO A 110 -7.791 -12.510 2.503 1.00 2.94 C ATOM 1406 CD PRO A 110 -7.766 -11.012 2.654 1.00 2.39 C ATOM 0 HA PRO A 110 -9.589 -11.640 0.006 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -9.820 -13.187 2.494 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -8.906 -13.639 1.069 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -7.752 -12.999 3.476 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -6.927 -12.858 1.936 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -8.248 -10.686 3.576 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -6.749 -10.620 2.670 1.00 2.39 H new ATOM 1414 N LYS A 111 -11.046 -10.427 2.648 1.00 2.13 N ATOM 1415 CA LYS A 111 -12.353 -9.979 3.175 1.00 2.67 C ATOM 1416 C LYS A 111 -13.190 -11.163 3.678 1.00 3.16 C ATOM 1417 O LYS A 111 -13.270 -11.422 4.882 1.00 3.69 O ATOM 1418 CB LYS A 111 -13.134 -9.199 2.098 1.00 2.87 C ATOM 1419 CG LYS A 111 -12.501 -7.873 1.730 1.00 2.82 C ATOM 1420 CD LYS A 111 -12.857 -6.795 2.737 1.00 3.47 C ATOM 1421 CE LYS A 111 -12.157 -5.491 2.405 1.00 3.97 C ATOM 1422 NZ LYS A 111 -12.334 -4.471 3.472 1.00 4.54 N ATOM 0 H LYS A 111 -10.247 -10.123 3.204 1.00 2.13 H new ATOM 0 HA LYS A 111 -12.158 -9.318 4.020 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -13.214 -9.815 1.202 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -14.149 -9.021 2.454 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -11.418 -7.985 1.682 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -12.835 -7.571 0.737 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -13.936 -6.641 2.745 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -12.574 -7.120 3.738 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -11.094 -5.679 2.257 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -12.546 -5.101 1.464 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -12.717 -3.598 3.057 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -12.993 -4.831 4.191 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -11.415 -4.269 3.915 1.00 4.54 H new ATOM 1436 N LEU A 112 -13.797 -11.871 2.725 1.00 3.28 N ATOM 1437 CA LEU A 112 -14.689 -13.000 2.987 1.00 3.87 C ATOM 1438 C LEU A 112 -13.883 -14.231 3.401 1.00 4.03 C ATOM 1439 O LEU A 112 -14.369 -15.107 4.121 1.00 4.40 O ATOM 1440 CB LEU A 112 -15.474 -13.297 1.701 1.00 4.14 C ATOM 1441 CG LEU A 112 -16.369 -14.534 1.732 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -17.692 -14.217 2.419 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -16.590 -15.046 0.315 1.00 5.13 C ATOM 0 H LEU A 112 -13.680 -11.672 1.731 1.00 3.28 H new ATOM 0 HA LEU A 112 -15.372 -12.753 3.800 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -16.094 -12.431 1.469 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -14.763 -13.408 0.883 1.00 4.14 H new ATOM 0 HG LEU A 112 -15.878 -15.319 2.307 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -18.318 -15.109 2.433 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -17.502 -13.891 3.442 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -18.204 -13.423 1.875 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -17.229 -15.929 0.343 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -17.069 -14.270 -0.282 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -15.630 -15.307 -0.131 1.00 5.13 H new ATOM 1455 N ASN A 113 -12.649 -14.268 2.935 1.00 4.17 N ATOM 1456 CA ASN A 113 -11.799 -15.450 3.045 1.00 4.65 C ATOM 1457 C ASN A 113 -10.688 -15.221 4.065 1.00 4.52 C ATOM 1458 O ASN A 113 -9.555 -15.635 3.872 1.00 4.85 O ATOM 1459 CB ASN A 113 -11.208 -15.738 1.654 1.00 5.14 C ATOM 1460 CG ASN A 113 -10.582 -17.115 1.526 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -9.588 -17.284 0.824 1.00 6.30 O ATOM 1462 ND2 ASN A 113 -11.167 -18.107 2.183 1.00 6.14 N ATOM 0 H ASN A 113 -12.202 -13.480 2.467 1.00 4.17 H new ATOM 0 HA ASN A 113 -12.384 -16.303 3.388 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -11.995 -15.637 0.907 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -10.454 -14.984 1.427 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -10.793 -19.054 2.116 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -11.991 -17.924 2.755 1.00 6.14 H new ATOM 1469 N LYS A 114 -11.021 -14.559 5.157 1.00 4.52 N ATOM 1470 CA LYS A 114 -10.012 -14.181 6.143 1.00 4.85 C ATOM 1471 C LYS A 114 -10.451 -14.582 7.548 1.00 5.78 C ATOM 1472 O LYS A 114 -11.649 -14.640 7.836 1.00 6.19 O ATOM 1473 CB LYS A 114 -9.743 -12.671 6.105 1.00 4.78 C ATOM 1474 CG LYS A 114 -10.791 -11.859 6.857 1.00 5.11 C ATOM 1475 CD LYS A 114 -10.497 -10.375 6.819 1.00 5.22 C ATOM 1476 CE LYS A 114 -11.377 -9.605 7.794 1.00 6.07 C ATOM 1477 NZ LYS A 114 -12.816 -9.929 7.612 1.00 6.75 N ATOM 0 H LYS A 114 -11.972 -14.271 5.388 1.00 4.52 H new ATOM 0 HA LYS A 114 -9.093 -14.710 5.890 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -8.761 -12.472 6.534 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -9.711 -12.340 5.067 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -11.773 -12.045 6.422 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -10.833 -12.193 7.894 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -9.448 -10.205 7.062 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -10.655 -9.998 5.809 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -11.078 -9.839 8.816 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -11.225 -8.535 7.654 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 -13.386 -9.071 7.756 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -12.971 -10.290 6.649 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 -13.099 -10.653 8.303 1.00 6.75 H new ATOM 1491 N PRO A 115 -9.474 -14.896 8.423 1.00 6.36 N ATOM 1492 CA PRO A 115 -9.724 -15.096 9.853 1.00 7.42 C ATOM 1493 C PRO A 115 -10.373 -13.868 10.487 1.00 8.03 C ATOM 1494 O PRO A 115 -10.033 -12.734 10.148 1.00 8.08 O ATOM 1495 CB PRO A 115 -8.338 -15.309 10.463 1.00 7.93 C ATOM 1496 CG PRO A 115 -7.428 -15.626 9.323 1.00 7.30 C ATOM 1497 CD PRO A 115 -8.069 -15.114 8.064 1.00 6.27 C ATOM 0 HA PRO A 115 -10.404 -15.931 10.022 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -8.004 -14.416 10.992 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -8.352 -16.123 11.188 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -6.454 -15.160 9.472 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -7.261 -16.701 9.256 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -7.598 -14.190 7.728 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -7.975 -15.834 7.251 1.00 6.27 H new ATOM 1505 N PRO A 116 -11.311 -14.086 11.418 1.00 8.68 N ATOM 1506 CA PRO A 116 -11.990 -13.000 12.120 1.00 9.51 C ATOM 1507 C PRO A 116 -11.244 -12.584 13.380 1.00 10.48 C ATOM 1508 O PRO A 116 -11.862 -12.150 14.351 1.00 10.92 O ATOM 1509 CB PRO A 116 -13.346 -13.610 12.484 1.00 9.98 C ATOM 1510 CG PRO A 116 -13.152 -15.107 12.454 1.00 9.58 C ATOM 1511 CD PRO A 116 -11.790 -15.402 11.869 1.00 8.87 C ATOM 0 HA PRO A 116 -12.062 -12.098 11.513 1.00 9.51 H new ATOM 0 HB2 PRO A 116 -13.670 -13.279 13.470 1.00 9.98 H new ATOM 0 HB3 PRO A 116 -14.115 -13.302 11.775 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -13.230 -15.519 13.460 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -13.932 -15.578 11.855 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -11.122 -15.839 12.611 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -11.854 -16.110 11.042 1.00 8.87 H new ATOM 1519 N GLU A 117 -9.909 -12.735 13.331 1.00 10.96 N ATOM 1520 CA GLU A 117 -9.000 -12.474 14.457 1.00 11.99 C ATOM 1521 C GLU A 117 -9.555 -13.021 15.785 1.00 12.68 C ATOM 1522 O GLU A 117 -10.191 -14.077 15.801 1.00 12.96 O ATOM 1523 CB GLU A 117 -8.611 -10.978 14.537 1.00 12.67 C ATOM 1524 CG GLU A 117 -9.757 -9.995 14.746 1.00 13.04 C ATOM 1525 CD GLU A 117 -9.866 -9.549 16.188 1.00 13.71 C ATOM 1526 OE1 GLU A 117 -8.880 -9.738 16.948 1.00 13.79 O ATOM 1527 OE2 GLU A 117 -10.930 -9.027 16.575 1.00 14.28 O ATOM 0 H GLU A 117 -9.424 -13.048 12.490 1.00 10.96 H new ATOM 0 HA GLU A 117 -8.078 -13.024 14.269 1.00 11.99 H new ATOM 0 HB2 GLU A 117 -7.899 -10.852 15.353 1.00 12.67 H new ATOM 0 HB3 GLU A 117 -8.092 -10.709 13.617 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -9.609 -9.124 14.107 1.00 13.04 H new ATOM 0 HG3 GLU A 117 -10.694 -10.460 14.439 1.00 13.04 H new ATOM 1534 N THR A 118 -9.297 -12.343 16.888 1.00 13.09 N ATOM 1535 CA THR A 118 -9.746 -12.807 18.192 1.00 13.91 C ATOM 1536 C THR A 118 -10.642 -11.769 18.864 1.00 14.25 C ATOM 1537 O THR A 118 -11.868 -11.828 18.748 1.00 14.32 O ATOM 1538 CB THR A 118 -8.555 -13.143 19.104 1.00 14.52 C ATOM 1539 OG1 THR A 118 -7.591 -12.078 19.076 1.00 14.48 O ATOM 1540 CG2 THR A 118 -7.886 -14.443 18.683 1.00 14.97 C ATOM 0 H THR A 118 -8.777 -11.466 16.909 1.00 13.09 H new ATOM 0 HA THR A 118 -10.325 -13.717 18.032 1.00 13.91 H new ATOM 0 HB THR A 118 -8.938 -13.263 20.118 1.00 14.52 H new ATOM 0 HG1 THR A 118 -6.838 -12.303 19.662 1.00 14.48 H new ATOM 0 HG21 THR A 118 -7.048 -14.653 19.347 1.00 14.97 H new ATOM 0 HG22 THR A 118 -8.607 -15.258 18.740 1.00 14.97 H new ATOM 0 HG23 THR A 118 -7.523 -14.351 17.659 1.00 14.97 H new ATOM 1548 N LEU A 119 -10.020 -10.813 19.541 1.00 14.62 N ATOM 1549 CA LEU A 119 -10.735 -9.719 20.205 1.00 15.15 C ATOM 1550 C LEU A 119 -9.889 -8.457 20.198 1.00 15.86 C ATOM 1551 O LEU A 119 -10.199 -7.482 20.894 1.00 16.21 O ATOM 1552 CB LEU A 119 -11.058 -10.079 21.651 1.00 15.53 C ATOM 1553 CG LEU A 119 -12.178 -11.097 21.854 1.00 15.30 C ATOM 1554 CD1 LEU A 119 -12.239 -11.522 23.311 1.00 15.43 C ATOM 1555 CD2 LEU A 119 -13.517 -10.518 21.428 1.00 15.51 C ATOM 0 H LEU A 119 -9.007 -10.769 19.648 1.00 14.62 H new ATOM 0 HA LEU A 119 -11.663 -9.550 19.658 1.00 15.15 H new ATOM 0 HB2 LEU A 119 -10.153 -10.466 22.119 1.00 15.53 H new ATOM 0 HB3 LEU A 119 -11.325 -9.165 22.181 1.00 15.53 H new ATOM 0 HG LEU A 119 -11.965 -11.968 21.235 1.00 15.30 H new ATOM 0 HD11 LEU A 119 -13.041 -12.248 23.445 1.00 15.43 H new ATOM 0 HD12 LEU A 119 -11.289 -11.973 23.598 1.00 15.43 H new ATOM 0 HD13 LEU A 119 -12.431 -10.650 23.937 1.00 15.43 H new ATOM 0 HD21 LEU A 119 -14.300 -11.261 21.581 1.00 15.51 H new ATOM 0 HD22 LEU A 119 -13.736 -9.632 22.023 1.00 15.51 H new ATOM 0 HD23 LEU A 119 -13.477 -10.246 20.373 1.00 15.51 H new ATOM 1567 N ILE A 120 -8.840 -8.502 19.375 1.00 16.20 N ATOM 1568 CA ILE A 120 -7.742 -7.526 19.358 1.00 17.02 C ATOM 1569 C ILE A 120 -7.114 -7.381 20.749 1.00 17.51 C ATOM 1570 O ILE A 120 -7.644 -7.877 21.736 1.00 17.80 O ATOM 1571 CB ILE A 120 -8.172 -6.141 18.769 1.00 17.69 C ATOM 1572 CG1 ILE A 120 -6.986 -5.517 18.016 1.00 17.88 C ATOM 1573 CG2 ILE A 120 -8.681 -5.189 19.850 1.00 18.24 C ATOM 1574 CD1 ILE A 120 -7.315 -4.247 17.256 1.00 18.20 C ATOM 0 H ILE A 120 -8.725 -9.240 18.680 1.00 16.20 H new ATOM 0 HA ILE A 120 -6.981 -7.918 18.683 1.00 17.02 H new ATOM 0 HB ILE A 120 -9.000 -6.308 18.080 1.00 17.69 H new ATOM 0 HG12 ILE A 120 -6.192 -5.301 18.731 1.00 17.88 H new ATOM 0 HG13 ILE A 120 -6.591 -6.252 17.315 1.00 17.88 H new ATOM 0 HG21 ILE A 120 -8.968 -4.241 19.394 1.00 18.24 H new ATOM 0 HG22 ILE A 120 -9.546 -5.630 20.345 1.00 18.24 H new ATOM 0 HG23 ILE A 120 -7.893 -5.016 20.583 1.00 18.24 H new ATOM 0 HD11 ILE A 120 -6.419 -3.879 16.757 1.00 18.20 H new ATOM 0 HD12 ILE A 120 -8.084 -4.457 16.513 1.00 18.20 H new ATOM 0 HD13 ILE A 120 -7.679 -3.491 17.951 1.00 18.20 H new ATOM 1586 N THR A 121 -5.947 -6.770 20.817 1.00 17.74 N ATOM 1587 CA THR A 121 -5.284 -6.563 22.094 1.00 18.36 C ATOM 1588 C THR A 121 -4.438 -5.305 22.015 1.00 19.19 C ATOM 1589 O THR A 121 -4.018 -4.902 20.929 1.00 19.58 O ATOM 1590 CB THR A 121 -4.424 -7.792 22.493 1.00 18.34 C ATOM 1591 OG1 THR A 121 -3.862 -7.621 23.804 1.00 18.55 O ATOM 1592 CG2 THR A 121 -3.314 -8.036 21.487 1.00 18.03 C ATOM 0 H THR A 121 -5.439 -6.409 20.009 1.00 17.74 H new ATOM 0 HA THR A 121 -6.039 -6.441 22.870 1.00 18.36 H new ATOM 0 HB THR A 121 -5.082 -8.661 22.501 1.00 18.34 H new ATOM 0 HG1 THR A 121 -3.326 -8.408 24.035 1.00 18.55 H new ATOM 0 HG21 THR A 121 -2.729 -8.903 21.794 1.00 18.03 H new ATOM 0 HG22 THR A 121 -3.748 -8.220 20.504 1.00 18.03 H new ATOM 0 HG23 THR A 121 -2.667 -7.160 21.440 1.00 18.03 H new ATOM 1600 N THR A 122 -4.215 -4.653 23.144 1.00 19.55 N ATOM 1601 CA THR A 122 -3.469 -3.406 23.141 1.00 20.46 C ATOM 1602 C THR A 122 -2.422 -3.393 24.250 1.00 21.12 C ATOM 1603 O THR A 122 -2.682 -2.940 25.367 1.00 21.25 O ATOM 1604 CB THR A 122 -4.399 -2.184 23.294 1.00 20.60 C ATOM 1605 OG1 THR A 122 -5.502 -2.299 22.388 1.00 20.58 O ATOM 1606 CG2 THR A 122 -3.645 -0.889 23.010 1.00 20.60 C ATOM 0 H THR A 122 -4.535 -4.961 24.062 1.00 19.55 H new ATOM 0 HA THR A 122 -2.968 -3.339 22.175 1.00 20.46 H new ATOM 0 HB THR A 122 -4.764 -2.158 24.321 1.00 20.60 H new ATOM 0 HG1 THR A 122 -6.091 -1.522 22.489 1.00 20.58 H new ATOM 0 HG21 THR A 122 -4.321 -0.042 23.124 1.00 20.60 H new ATOM 0 HG22 THR A 122 -2.817 -0.789 23.711 1.00 20.60 H new ATOM 0 HG23 THR A 122 -3.258 -0.909 21.991 1.00 20.60 H new ATOM 1614 N ILE A 123 -1.242 -3.913 23.919 1.00 21.64 N ATOM 1615 CA ILE A 123 -0.073 -3.856 24.802 1.00 22.40 C ATOM 1616 C ILE A 123 -0.184 -4.825 25.994 1.00 22.78 C ATOM 1617 O ILE A 123 0.519 -5.831 26.039 1.00 22.98 O ATOM 1618 CB ILE A 123 0.179 -2.410 25.317 1.00 23.08 C ATOM 1619 CG1 ILE A 123 0.341 -1.440 24.140 1.00 23.05 C ATOM 1620 CG2 ILE A 123 1.413 -2.362 26.211 1.00 23.52 C ATOM 1621 CD1 ILE A 123 0.435 0.018 24.562 1.00 23.60 C ATOM 0 H ILE A 123 -1.067 -4.386 23.032 1.00 21.64 H new ATOM 0 HA ILE A 123 0.778 -4.171 24.197 1.00 22.40 H new ATOM 0 HB ILE A 123 -0.686 -2.105 25.905 1.00 23.08 H new ATOM 0 HG12 ILE A 123 1.238 -1.706 23.581 1.00 23.05 H new ATOM 0 HG13 ILE A 123 -0.504 -1.560 23.462 1.00 23.05 H new ATOM 0 HG21 ILE A 123 1.570 -1.341 26.560 1.00 23.52 H new ATOM 0 HG22 ILE A 123 1.267 -3.020 27.068 1.00 23.52 H new ATOM 0 HG23 ILE A 123 2.285 -2.691 25.645 1.00 23.52 H new ATOM 0 HD11 ILE A 123 0.548 0.646 23.678 1.00 23.60 H new ATOM 0 HD12 ILE A 123 -0.472 0.302 25.095 1.00 23.60 H new ATOM 0 HD13 ILE A 123 1.297 0.153 25.216 1.00 23.60 H new ATOM 1633 N ASP A 124 -1.068 -4.534 26.942 1.00 22.96 N ATOM 1634 CA ASP A 124 -1.185 -5.348 28.158 1.00 23.43 C ATOM 1635 C ASP A 124 -2.615 -5.840 28.363 1.00 23.78 C ATOM 1636 O ASP A 124 -3.485 -5.577 27.536 1.00 23.78 O ATOM 1637 CB ASP A 124 -0.724 -4.569 29.399 1.00 23.94 C ATOM 1638 CG ASP A 124 0.783 -4.558 29.571 1.00 24.17 C ATOM 1639 OD1 ASP A 124 1.331 -5.492 30.196 1.00 24.20 O ATOM 1640 OD2 ASP A 124 1.431 -3.623 29.069 1.00 24.41 O ATOM 0 H ASP A 124 -1.714 -3.746 26.898 1.00 22.96 H new ATOM 0 HA ASP A 124 -0.534 -6.212 28.025 1.00 23.43 H new ATOM 0 HB2 ASP A 124 -1.083 -3.542 29.330 1.00 23.94 H new ATOM 0 HB3 ASP A 124 -1.181 -5.007 30.286 1.00 23.94 H new ATOM 1645 N SER A 125 -2.828 -6.567 29.468 1.00 24.16 N ATOM 1646 CA SER A 125 -4.125 -7.130 29.824 1.00 24.63 C ATOM 1647 C SER A 125 -5.232 -6.093 29.689 1.00 24.84 C ATOM 1648 O SER A 125 -6.090 -6.193 28.810 1.00 25.03 O ATOM 1649 CB SER A 125 -4.068 -7.652 31.267 1.00 25.24 C ATOM 1650 OG SER A 125 -2.831 -8.303 31.538 1.00 25.57 O ATOM 0 H SER A 125 -2.093 -6.779 30.143 1.00 24.16 H new ATOM 0 HA SER A 125 -4.350 -7.949 29.141 1.00 24.63 H new ATOM 0 HB2 SER A 125 -4.203 -6.822 31.961 1.00 25.24 H new ATOM 0 HB3 SER A 125 -4.891 -8.347 31.437 1.00 25.24 H new ATOM 0 HG SER A 125 -2.825 -8.622 32.465 1.00 25.57 H new ATOM 1656 N SER A 126 -5.196 -5.101 30.562 1.00 24.89 N ATOM 1657 CA SER A 126 -6.123 -3.987 30.506 1.00 25.18 C ATOM 1658 C SER A 126 -5.343 -2.723 30.819 1.00 25.41 C ATOM 1659 O SER A 126 -5.887 -1.759 31.352 1.00 25.51 O ATOM 1660 CB SER A 126 -7.252 -4.183 31.527 1.00 25.59 C ATOM 1661 OG SER A 126 -7.772 -5.500 31.471 1.00 25.84 O ATOM 0 H SER A 126 -4.524 -5.046 31.328 1.00 24.89 H new ATOM 0 HA SER A 126 -6.577 -3.918 29.517 1.00 25.18 H new ATOM 0 HB2 SER A 126 -6.878 -3.980 32.530 1.00 25.59 H new ATOM 0 HB3 SER A 126 -8.050 -3.466 31.333 1.00 25.59 H new ATOM 0 HG SER A 126 -8.488 -5.597 32.133 1.00 25.84 H new ATOM 1667 N SER A 127 -4.051 -2.760 30.470 1.00 25.58 N ATOM 1668 CA SER A 127 -3.082 -1.760 30.891 1.00 25.89 C ATOM 1669 C SER A 127 -2.893 -1.855 32.413 1.00 26.06 C ATOM 1670 O SER A 127 -3.487 -2.719 33.076 1.00 26.48 O ATOM 1671 CB SER A 127 -3.530 -0.352 30.471 1.00 26.15 C ATOM 1672 OG SER A 127 -3.662 -0.263 29.061 1.00 26.55 O ATOM 0 H SER A 127 -3.653 -3.493 29.883 1.00 25.58 H new ATOM 0 HA SER A 127 -2.127 -1.951 30.402 1.00 25.89 H new ATOM 0 HB2 SER A 127 -4.482 -0.112 30.945 1.00 26.15 H new ATOM 0 HB3 SER A 127 -2.805 0.384 30.820 1.00 26.15 H new ATOM 0 HG SER A 127 -3.950 0.641 28.816 1.00 26.55 H new ATOM 1678 N SER A 128 -2.048 -1.010 32.967 1.00 25.83 N ATOM 1679 CA SER A 128 -1.862 -0.978 34.400 1.00 26.03 C ATOM 1680 C SER A 128 -1.465 0.421 34.831 1.00 25.96 C ATOM 1681 O SER A 128 -2.343 1.173 35.303 1.00 26.15 O ATOM 1682 CB SER A 128 -0.793 -1.981 34.810 1.00 26.24 C ATOM 1683 OG SER A 128 -1.160 -3.297 34.419 1.00 26.24 O ATOM 1684 OXT SER A 128 -0.289 0.788 34.648 1.00 25.79 O ATOM 0 H SER A 128 -1.482 -0.339 32.448 1.00 25.83 H new ATOM 0 HA SER A 128 -2.797 -1.248 34.890 1.00 26.03 H new ATOM 0 HB2 SER A 128 0.159 -1.713 34.352 1.00 26.24 H new ATOM 0 HB3 SER A 128 -0.648 -1.944 35.890 1.00 26.24 H new ATOM 0 HG SER A 128 -0.459 -3.926 34.690 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.693 13.757 -3.415 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -6.419 16.109 -5.795 1.00 0.50 C HETATM 1693 CHB HEM A 129 -2.733 12.955 -5.091 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.059 11.185 -1.140 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.631 14.513 -1.692 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.733 14.435 -5.117 1.00 0.41 N HETATM 1697 C1A HEM A 129 -5.241 15.381 -5.944 1.00 0.46 C HETATM 1698 C2A HEM A 129 -4.360 15.490 -7.079 1.00 0.49 C HETATM 1699 C3A HEM A 129 -3.237 14.744 -6.796 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.536 13.982 -5.604 1.00 0.42 C HETATM 1701 CMA HEM A 129 -1.949 14.701 -7.581 1.00 0.54 C HETATM 1702 CAA HEM A 129 -4.676 16.260 -8.343 1.00 0.58 C HETATM 1703 CBA HEM A 129 -5.173 15.598 -9.636 1.00 0.94 C HETATM 1704 CGA HEM A 129 -6.440 14.748 -9.517 1.00 1.22 C HETATM 1705 O1A HEM A 129 -7.388 15.252 -8.876 1.00 2.03 O HETATM 1706 O2A HEM A 129 -6.452 13.619 -10.056 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.179 12.366 -3.148 1.00 0.36 N HETATM 1708 C1B HEM A 129 -3.075 12.228 -3.953 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.278 11.144 -3.432 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.017 10.563 -2.434 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.164 11.395 -2.175 1.00 0.35 C HETATM 1712 CMB HEM A 129 -0.905 10.770 -3.920 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.709 9.262 -1.730 1.00 0.38 C HETATM 1714 CBB HEM A 129 -3.305 8.111 -2.069 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.630 13.036 -1.687 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.157 12.009 -0.911 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.009 11.899 0.239 1.00 0.49 C HETATM 1718 C3C HEM A 129 -8.054 12.775 0.036 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.806 13.512 -1.174 1.00 0.43 C HETATM 1720 CMC HEM A 129 -6.775 10.986 1.417 1.00 0.64 C HETATM 1721 CAC HEM A 129 -9.285 12.952 0.911 1.00 0.55 C HETATM 1722 CBC HEM A 129 -9.275 12.914 2.258 1.00 0.66 C HETATM 1723 ND HEM A 129 -7.238 15.078 -3.687 1.00 0.44 N HETATM 1724 C1D HEM A 129 -8.330 15.212 -2.871 1.00 0.47 C HETATM 1725 C2D HEM A 129 -9.162 16.241 -3.442 1.00 0.54 C HETATM 1726 C3D HEM A 129 -8.583 16.633 -4.631 1.00 0.55 C HETATM 1727 C4D HEM A 129 -7.327 15.927 -4.746 1.00 0.49 C HETATM 1728 CMD HEM A 129 -10.429 16.778 -2.831 1.00 0.62 C HETATM 1729 CAD HEM A 129 -9.131 17.621 -5.642 1.00 0.65 C HETATM 1730 CBD HEM A 129 -8.457 18.938 -6.038 1.00 1.49 C HETATM 1731 CGD HEM A 129 -8.646 20.027 -4.994 1.00 2.30 C HETATM 1732 O1D HEM A 129 -7.613 20.485 -4.452 1.00 3.20 O HETATM 1733 O2D HEM A 129 -9.819 20.385 -4.744 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -2.155 14.911 -8.631 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -1.500 13.712 -7.490 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -1.260 15.449 -7.190 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -0.813 11.022 -4.977 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -0.751 9.699 -3.788 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.155 11.318 -3.350 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -7.197 11.436 2.316 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -5.704 10.837 1.555 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -7.254 10.025 1.233 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -10.561 17.820 -3.124 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -10.366 16.712 -1.745 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -11.279 16.192 -3.181 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -3.057 7.192 -1.538 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -4.038 8.094 -2.876 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -10.203 13.050 2.814 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -8.339 12.747 2.792 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -4.374 14.969 -10.028 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -5.353 16.380 -10.374 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -3.769 16.804 -8.606 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -5.426 17.003 -8.071 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -8.863 19.278 -6.990 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -7.391 18.766 -6.189 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -10.127 17.889 -5.289 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -9.261 17.061 -6.568 1.00 0.65 H new HETATM 0 HHA HEM A 129 -6.646 16.861 -6.536 1.00 0.50 H new HETATM 0 HHB HEM A 129 -1.810 12.717 -5.599 1.00 0.41 H new HETATM 0 HHC HEM A 129 -4.898 10.345 -0.481 1.00 0.38 H new HETATM 0 HHD HEM A 129 -9.539 14.760 -1.162 1.00 0.47 H new HETATM 0 HAB HEM A 129 -1.979 9.260 -0.921 1.00 0.38 H new HETATM 0 HAC HEM A 129 -10.241 13.121 0.415 1.00 0.55 H new