USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 GLN : amide:sc= 0.581 X(o=0.35,f=0.57) USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.23 K(o=0.35,f=-5.6!) USER MOD Set 2.1: A 9 MET CE :methyl 149:sc= 0 (180deg=-0.256) USER MOD Set 2.2: A 54 SER OG : rot -54:sc= 0.71 USER MOD Set 2.3: A 105 HIS : no HD1:sc= -0.231 K(o=0.29,f=-3) USER MOD Set 2.4: A 131 MET CE :methyl -113:sc= -0.191 (180deg=-0.377) USER MOD Set 3.1: A 78 ASN : amide:sc= 0.519 K(o=1.7,f=-0.75) USER MOD Set 3.2: A 80 HIS : no HD1:sc= 1.14 K(o=1.7,f=-7.3!) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 1.76 (180deg=1.71) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -13:sc= 0.739 USER MOD Single : A 11 ASN : amide:sc= 0.829 K(o=0.83,f=-0.024) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.0431 USER MOD Single : A 30 ASN : amide:sc= -0.542 K(o=-0.54,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.36 K(o=1.4,f=-5!) USER MOD Single : A 40 TYR OH : rot 16:sc= 0.904 USER MOD Single : A 41 ASN : amide:sc= -1.33! C(o=-1.3!,f=-7.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -0.239 K(o=-0.24,f=-1.4) USER MOD Single : A 55 GLN : amide:sc= -0.0197 K(o=-0.02,f=-0.93) USER MOD Single : A 58 CYS SG : rot 50:sc= 0.573 USER MOD Single : A 62 ASN : amide:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 150:sc= -0.41 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.078 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.4!) USER MOD Single : A 82 HIS : no HE2:sc= -0.454 K(o=-0.45,f=-2) USER MOD Single : A 84 THR OG1 : rot -74:sc= 0.734 USER MOD Single : A 87 MET CE :methyl -172:sc= 0 (180deg=-0.0539) USER MOD Single : A 88 SER OG : rot -170:sc= -0.212 USER MOD Single : A 89 MET CE :methyl 166:sc=-0.00388 (180deg=-0.214) USER MOD Single : A 91 HIS : no HD1:sc= 1.53 K(o=1.5,f=-10!) USER MOD Single : A 96 THR OG1 : rot 76:sc= 0.366 USER MOD Single : A 98 SER OG : rot -170:sc= 0.343 USER MOD Single : A 99 CYS SG : rot 55:sc= -0.474 USER MOD Single : A 100 GLN : amide:sc= 0.357 X(o=0.36,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 1.38 K(o=1.4,f=-0.099) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 176:sc= -0.0319 (180deg=-0.0838) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0.715 K(o=0.71,f=-4.3!) USER MOD Single : A 137 MET CE :methyl -144:sc= -0.0469 (180deg=-0.2) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 168:sc= 0.818 (180deg=0.631) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -6.111 2.234 -11.536 1.00 0.00 N ATOM 19 CA ALA A 2 -5.411 1.166 -10.833 1.00 0.00 C ATOM 20 C ALA A 2 -3.919 1.456 -10.736 1.00 0.00 C ATOM 21 O ALA A 2 -3.320 2.000 -11.664 1.00 0.00 O ATOM 22 CB ALA A 2 -5.645 -0.168 -11.528 1.00 0.00 C ATOM 0 HA ALA A 2 -5.811 1.112 -9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.116 -0.956 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.712 -0.390 -11.539 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.275 -0.115 -12.552 1.00 0.00 H new ATOM 28 N LYS A 3 -3.324 1.092 -9.605 1.00 0.00 N ATOM 29 CA LYS A 3 -1.896 1.297 -9.391 1.00 0.00 C ATOM 30 C LYS A 3 -1.254 0.075 -8.745 1.00 0.00 C ATOM 31 O LYS A 3 -1.904 -0.657 -7.999 1.00 0.00 O ATOM 32 CB LYS A 3 -1.656 2.536 -8.526 1.00 0.00 C ATOM 33 CG LYS A 3 -2.185 3.833 -9.123 1.00 0.00 C ATOM 34 CD LYS A 3 -1.852 5.025 -8.239 1.00 0.00 C ATOM 35 CE LYS A 3 -2.506 6.298 -8.755 1.00 0.00 C ATOM 36 NZ LYS A 3 -1.884 6.769 -10.022 1.00 0.00 N ATOM 0 H LYS A 3 -3.809 0.653 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.432 1.450 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.123 2.381 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.585 2.641 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.756 3.981 -10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.265 3.763 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.187 4.829 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.771 5.160 -8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.569 6.120 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.426 7.079 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.288 7.690 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.857 6.867 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.071 6.080 -10.778 1.00 0.00 H new ATOM 50 N LYS A 4 0.023 -0.140 -9.038 1.00 0.00 N ATOM 51 CA LYS A 4 0.770 -1.241 -8.442 1.00 0.00 C ATOM 52 C LYS A 4 2.139 -0.779 -7.956 1.00 0.00 C ATOM 53 O LYS A 4 2.870 -0.104 -8.683 1.00 0.00 O ATOM 54 CB LYS A 4 0.928 -2.386 -9.443 1.00 0.00 C ATOM 55 CG LYS A 4 1.571 -3.641 -8.869 1.00 0.00 C ATOM 56 CD LYS A 4 1.603 -4.765 -9.894 1.00 0.00 C ATOM 57 CE LYS A 4 2.260 -6.015 -9.326 1.00 0.00 C ATOM 58 NZ LYS A 4 2.271 -7.132 -10.308 1.00 0.00 N ATOM 0 H LYS A 4 0.563 0.434 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 4 0.205 -1.599 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.054 -2.644 -9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.528 -2.037 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.586 -3.415 -8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.017 -3.965 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.587 -4.999 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.147 -4.437 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.283 -5.784 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.729 -6.327 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.727 -7.964 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.294 -7.370 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.800 -6.844 -11.156 1.00 0.00 H new ATOM 72 N GLY A 5 2.480 -1.145 -6.727 1.00 0.00 N ATOM 73 CA GLY A 5 3.733 -0.718 -6.119 1.00 0.00 C ATOM 74 C GLY A 5 4.354 -1.836 -5.290 1.00 0.00 C ATOM 75 O GLY A 5 3.852 -2.959 -5.270 1.00 0.00 O ATOM 0 H GLY A 5 1.904 -1.739 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.431 -0.409 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.555 0.151 -5.486 1.00 0.00 H new ATOM 79 N TYR A 6 5.449 -1.520 -4.607 1.00 0.00 N ATOM 80 CA TYR A 6 6.134 -2.494 -3.764 1.00 0.00 C ATOM 81 C TYR A 6 6.907 -1.809 -2.646 1.00 0.00 C ATOM 82 O TYR A 6 7.420 -0.702 -2.821 1.00 0.00 O ATOM 83 CB TYR A 6 7.073 -3.361 -4.606 1.00 0.00 C ATOM 84 CG TYR A 6 8.110 -2.572 -5.373 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.297 -2.205 -4.757 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.873 -2.216 -6.692 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.244 -1.483 -5.458 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.821 -1.495 -7.393 1.00 0.00 C ATOM 89 CZ TYR A 6 10.002 -1.129 -6.781 1.00 0.00 C ATOM 90 OH TYR A 6 10.945 -0.410 -7.479 1.00 0.00 O ATOM 0 H TYR A 6 5.882 -0.596 -4.621 1.00 0.00 H new ATOM 0 HA TYR A 6 5.378 -3.133 -3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.580 -4.071 -3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.480 -3.944 -5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.481 -2.483 -3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.948 -2.502 -7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.169 -1.195 -4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.637 -1.218 -8.421 1.00 0.00 H new ATOM 0 HH TYR A 6 11.611 -0.053 -6.856 1.00 0.00 H new ATOM 100 N ILE A 7 6.990 -2.472 -1.498 1.00 0.00 N ATOM 101 CA ILE A 7 7.942 -2.093 -0.461 1.00 0.00 C ATOM 102 C ILE A 7 9.098 -3.083 -0.387 1.00 0.00 C ATOM 103 O ILE A 7 8.965 -4.165 0.183 1.00 0.00 O ATOM 104 CB ILE A 7 7.253 -2.003 0.913 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.182 -0.909 0.902 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.277 -1.741 2.006 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.350 -0.857 2.163 1.00 0.00 C ATOM 0 H ILE A 7 6.408 -3.276 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 7 8.336 -1.112 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 7 6.768 -2.957 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.665 0.057 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.522 -1.068 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.772 -1.680 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.003 -2.554 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.791 -0.801 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.614 -0.058 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.838 -1.809 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.998 -0.667 3.019 1.00 0.00 H new ATOM 119 N LEU A 8 10.233 -2.704 -0.966 1.00 0.00 N ATOM 120 CA LEU A 8 11.449 -3.500 -0.858 1.00 0.00 C ATOM 121 C LEU A 8 12.164 -3.240 0.462 1.00 0.00 C ATOM 122 O LEU A 8 12.519 -2.104 0.774 1.00 0.00 O ATOM 123 CB LEU A 8 12.393 -3.186 -2.026 1.00 0.00 C ATOM 124 CG LEU A 8 13.754 -3.891 -1.991 1.00 0.00 C ATOM 125 CD1 LEU A 8 13.552 -5.394 -2.119 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.632 -3.359 -3.114 1.00 0.00 C ATOM 0 H LEU A 8 10.335 -1.850 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 8 11.164 -4.551 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.891 -3.452 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.563 -2.110 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 8 14.252 -3.691 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.520 -5.895 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.938 -5.750 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.053 -5.615 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.599 -3.861 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.150 -3.548 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.776 -2.286 -2.986 1.00 0.00 H new ATOM 138 N MET A 9 12.372 -4.301 1.235 1.00 0.00 N ATOM 139 CA MET A 9 13.036 -4.190 2.527 1.00 0.00 C ATOM 140 C MET A 9 14.526 -4.482 2.407 1.00 0.00 C ATOM 141 O MET A 9 14.953 -5.221 1.520 1.00 0.00 O ATOM 142 CB MET A 9 12.387 -5.132 3.539 1.00 0.00 C ATOM 143 CG MET A 9 10.954 -4.774 3.903 1.00 0.00 C ATOM 144 SD MET A 9 10.168 -6.021 4.942 1.00 0.00 S ATOM 145 CE MET A 9 8.659 -5.175 5.404 1.00 0.00 C ATOM 0 H MET A 9 12.089 -5.249 0.987 1.00 0.00 H new ATOM 0 HA MET A 9 12.923 -3.164 2.878 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.404 -6.145 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.989 -5.139 4.448 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.944 -3.816 4.422 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.372 -4.648 2.990 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.862 -5.905 5.546 1.00 0.00 H new ATOM 0 HE2 MET A 9 8.819 -4.627 6.333 1.00 0.00 H new ATOM 0 HE3 MET A 9 8.377 -4.478 4.615 1.00 0.00 H new ATOM 155 N GLU A 10 15.313 -3.900 3.305 1.00 0.00 N ATOM 156 CA GLU A 10 16.755 -4.116 3.315 1.00 0.00 C ATOM 157 C GLU A 10 17.094 -5.566 3.633 1.00 0.00 C ATOM 158 O GLU A 10 18.191 -6.038 3.334 1.00 0.00 O ATOM 159 CB GLU A 10 17.426 -3.190 4.332 1.00 0.00 C ATOM 160 CG GLU A 10 17.522 -1.736 3.891 1.00 0.00 C ATOM 161 CD GLU A 10 18.310 -0.886 4.848 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.690 -1.382 5.882 1.00 0.00 O ATOM 163 OE2 GLU A 10 18.533 0.263 4.546 1.00 0.00 O ATOM 0 H GLU A 10 14.976 -3.274 4.036 1.00 0.00 H new ATOM 0 HA GLU A 10 17.132 -3.887 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.871 -3.237 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.430 -3.562 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.986 -1.690 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.518 -1.325 3.790 1.00 0.00 H new ATOM 170 N ASN A 11 16.146 -6.270 4.243 1.00 0.00 N ATOM 171 CA ASN A 11 16.334 -7.676 4.583 1.00 0.00 C ATOM 172 C ASN A 11 15.879 -8.582 3.445 1.00 0.00 C ATOM 173 O ASN A 11 15.934 -9.806 3.555 1.00 0.00 O ATOM 174 CB ASN A 11 15.599 -8.018 5.865 1.00 0.00 C ATOM 175 CG ASN A 11 16.197 -7.346 7.070 1.00 0.00 C ATOM 176 OD1 ASN A 11 17.385 -7.518 7.366 1.00 0.00 O ATOM 177 ND2 ASN A 11 15.396 -6.585 7.772 1.00 0.00 N ATOM 0 H ASN A 11 15.239 -5.889 4.512 1.00 0.00 H new ATOM 0 HA ASN A 11 17.399 -7.844 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.554 -7.723 5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.614 -9.098 6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.746 -6.105 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.422 -6.472 7.490 1.00 0.00 H new ATOM 184 N GLY A 12 15.428 -7.973 2.354 1.00 0.00 N ATOM 185 CA GLY A 12 15.008 -8.723 1.176 1.00 0.00 C ATOM 186 C GLY A 12 13.531 -9.089 1.254 1.00 0.00 C ATOM 187 O GLY A 12 13.024 -9.842 0.424 1.00 0.00 O ATOM 0 H GLY A 12 15.344 -6.961 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.192 -8.130 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.606 -9.630 1.087 1.00 0.00 H new ATOM 191 N GLY A 13 12.845 -8.551 2.257 1.00 0.00 N ATOM 192 CA GLY A 13 11.434 -8.847 2.466 1.00 0.00 C ATOM 193 C GLY A 13 10.551 -7.968 1.590 1.00 0.00 C ATOM 194 O GLY A 13 9.771 -7.158 2.090 1.00 0.00 O ATOM 0 H GLY A 13 13.245 -7.906 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.243 -9.897 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.179 -8.693 3.514 1.00 0.00 H new ATOM 198 N LYS A 14 10.678 -8.133 0.277 1.00 0.00 N ATOM 199 CA LYS A 14 9.915 -7.334 -0.673 1.00 0.00 C ATOM 200 C LYS A 14 8.432 -7.675 -0.613 1.00 0.00 C ATOM 201 O LYS A 14 8.047 -8.838 -0.739 1.00 0.00 O ATOM 202 CB LYS A 14 10.445 -7.538 -2.093 1.00 0.00 C ATOM 203 CG LYS A 14 9.815 -6.626 -3.137 1.00 0.00 C ATOM 204 CD LYS A 14 10.457 -6.823 -4.503 1.00 0.00 C ATOM 205 CE LYS A 14 9.856 -5.885 -5.539 1.00 0.00 C ATOM 206 NZ LYS A 14 10.453 -6.087 -6.887 1.00 0.00 N ATOM 0 H LYS A 14 11.304 -8.814 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 14 10.035 -6.286 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.523 -7.378 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.277 -8.575 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.746 -6.829 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.924 -5.586 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.530 -6.648 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.323 -7.856 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.779 -6.045 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.010 -4.852 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.016 -5.428 -7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.477 -5.909 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.284 -7.065 -7.198 1.00 0.00 H new ATOM 220 N ILE A 15 7.602 -6.655 -0.422 1.00 0.00 N ATOM 221 CA ILE A 15 6.155 -6.837 -0.403 1.00 0.00 C ATOM 222 C ILE A 15 5.491 -6.088 -1.551 1.00 0.00 C ATOM 223 O ILE A 15 5.541 -4.859 -1.614 1.00 0.00 O ATOM 224 CB ILE A 15 5.560 -6.362 0.934 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.160 -7.155 2.098 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.045 -6.497 0.920 1.00 0.00 C ATOM 227 CD1 ILE A 15 5.817 -6.595 3.460 1.00 0.00 C ATOM 0 H ILE A 15 7.907 -5.692 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 15 5.960 -7.903 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 15 5.810 -5.310 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.811 -8.186 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.244 -7.179 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.641 -6.157 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.633 -5.890 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.774 -7.541 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.278 -7.210 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.191 -5.574 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.735 -6.596 3.592 1.00 0.00 H new ATOM 239 N GLU A 16 4.868 -6.834 -2.456 1.00 0.00 N ATOM 240 CA GLU A 16 4.246 -6.247 -3.637 1.00 0.00 C ATOM 241 C GLU A 16 2.738 -6.122 -3.461 1.00 0.00 C ATOM 242 O GLU A 16 2.080 -7.050 -2.991 1.00 0.00 O ATOM 243 CB GLU A 16 4.557 -7.087 -4.877 1.00 0.00 C ATOM 244 CG GLU A 16 6.031 -7.132 -5.254 1.00 0.00 C ATOM 245 CD GLU A 16 6.299 -7.971 -6.472 1.00 0.00 C ATOM 246 OE1 GLU A 16 5.376 -8.565 -6.975 1.00 0.00 O ATOM 247 OE2 GLU A 16 7.428 -8.018 -6.899 1.00 0.00 O ATOM 0 H GLU A 16 4.780 -7.848 -2.394 1.00 0.00 H new ATOM 0 HA GLU A 16 4.660 -5.247 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.207 -8.105 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.991 -6.691 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.386 -6.117 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.603 -7.526 -4.414 1.00 0.00 H new ATOM 254 N PHE A 17 2.196 -4.970 -3.841 1.00 0.00 N ATOM 255 CA PHE A 17 0.814 -4.632 -3.525 1.00 0.00 C ATOM 256 C PHE A 17 0.166 -3.844 -4.656 1.00 0.00 C ATOM 257 O PHE A 17 0.855 -3.273 -5.501 1.00 0.00 O ATOM 258 CB PHE A 17 0.745 -3.823 -2.229 1.00 0.00 C ATOM 259 CG PHE A 17 1.492 -2.521 -2.287 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.887 -1.379 -2.791 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.801 -2.434 -1.839 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.572 -0.181 -2.845 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.489 -1.237 -1.892 1.00 0.00 C ATOM 264 CZ PHE A 17 2.874 -0.109 -2.395 1.00 0.00 C ATOM 0 H PHE A 17 2.694 -4.254 -4.369 1.00 0.00 H new ATOM 0 HA PHE A 17 0.266 -5.566 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.300 -3.622 -1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.146 -4.425 -1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.132 -1.427 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.289 -3.313 -1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.088 0.700 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.509 -1.184 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.410 0.828 -2.436 1.00 0.00 H new ATOM 274 N GLU A 18 -1.163 -3.818 -4.667 1.00 0.00 N ATOM 275 CA GLU A 18 -1.904 -2.983 -5.604 1.00 0.00 C ATOM 276 C GLU A 18 -2.789 -1.983 -4.869 1.00 0.00 C ATOM 277 O GLU A 18 -3.386 -2.306 -3.843 1.00 0.00 O ATOM 278 CB GLU A 18 -2.758 -3.850 -6.530 1.00 0.00 C ATOM 279 CG GLU A 18 -1.959 -4.733 -7.480 1.00 0.00 C ATOM 280 CD GLU A 18 -2.829 -5.508 -8.429 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.028 -5.386 -8.342 1.00 0.00 O ATOM 282 OE2 GLU A 18 -2.295 -6.224 -9.244 1.00 0.00 O ATOM 0 H GLU A 18 -1.749 -4.366 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.180 -2.428 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.404 -4.483 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.409 -3.202 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.270 -4.112 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.354 -5.429 -6.899 1.00 0.00 H new ATOM 289 N LEU A 19 -2.870 -0.769 -5.402 1.00 0.00 N ATOM 290 CA LEU A 19 -3.672 0.285 -4.792 1.00 0.00 C ATOM 291 C LEU A 19 -4.944 0.540 -5.590 1.00 0.00 C ATOM 292 O LEU A 19 -4.994 0.288 -6.794 1.00 0.00 O ATOM 293 CB LEU A 19 -2.856 1.579 -4.688 1.00 0.00 C ATOM 294 CG LEU A 19 -1.521 1.467 -3.941 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.834 2.826 -3.923 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.771 0.961 -2.528 1.00 0.00 C ATOM 0 H LEU A 19 -2.389 -0.490 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.954 -0.045 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.657 1.943 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.467 2.333 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.867 0.758 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.115 2.747 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.651 3.155 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.473 3.550 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.822 0.881 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.424 1.658 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.246 -0.019 -2.571 1.00 0.00 H new ATOM 308 N PHE A 20 -5.970 1.042 -4.912 1.00 0.00 N ATOM 309 CA PHE A 20 -7.273 1.246 -5.534 1.00 0.00 C ATOM 310 C PHE A 20 -7.680 2.714 -5.491 1.00 0.00 C ATOM 311 O PHE A 20 -8.461 3.126 -4.634 1.00 0.00 O ATOM 312 CB PHE A 20 -8.338 0.396 -4.838 1.00 0.00 C ATOM 313 CG PHE A 20 -8.032 -1.075 -4.837 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.300 -1.855 -5.951 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.475 -1.681 -3.720 1.00 0.00 C ATOM 316 CE1 PHE A 20 -8.022 -3.208 -5.951 1.00 0.00 C ATOM 317 CE2 PHE A 20 -7.194 -3.034 -3.718 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.468 -3.798 -4.832 1.00 0.00 C ATOM 0 H PHE A 20 -5.924 1.315 -3.930 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.193 0.939 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.446 0.736 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.297 0.558 -5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.732 -1.399 -6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.259 -1.089 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.238 -3.804 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.759 -3.493 -2.843 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.250 -4.856 -4.830 1.00 0.00 H new ATOM 328 N PRO A 21 -7.146 3.499 -6.421 1.00 0.00 N ATOM 329 CA PRO A 21 -7.474 4.916 -6.508 1.00 0.00 C ATOM 330 C PRO A 21 -8.926 5.121 -6.921 1.00 0.00 C ATOM 331 O PRO A 21 -9.470 6.217 -6.789 1.00 0.00 O ATOM 332 CB PRO A 21 -6.504 5.429 -7.578 1.00 0.00 C ATOM 333 CG PRO A 21 -6.217 4.231 -8.417 1.00 0.00 C ATOM 334 CD PRO A 21 -6.159 3.091 -7.434 1.00 0.00 C ATOM 0 HA PRO A 21 -7.375 5.441 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.949 6.231 -8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.594 5.829 -7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.995 4.073 -9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.276 4.339 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.422 2.140 -7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.163 2.973 -7.007 1.00 0.00 H new ATOM 342 N ASN A 22 -9.549 4.060 -7.422 1.00 0.00 N ATOM 343 CA ASN A 22 -10.976 4.079 -7.718 1.00 0.00 C ATOM 344 C ASN A 22 -11.803 4.120 -6.439 1.00 0.00 C ATOM 345 O ASN A 22 -12.909 4.660 -6.421 1.00 0.00 O ATOM 346 CB ASN A 22 -11.361 2.880 -8.565 1.00 0.00 C ATOM 347 CG ASN A 22 -12.776 2.960 -9.070 1.00 0.00 C ATOM 348 OD1 ASN A 22 -13.125 3.870 -9.830 1.00 0.00 O ATOM 349 ND2 ASN A 22 -13.595 2.024 -8.662 1.00 0.00 N ATOM 0 H ASN A 22 -9.087 3.175 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.189 4.986 -8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.680 2.805 -9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.240 1.970 -7.977 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.567 2.026 -8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.261 1.293 -8.034 1.00 0.00 H new ATOM 356 N GLU A 23 -11.261 3.546 -5.371 1.00 0.00 N ATOM 357 CA GLU A 23 -11.966 3.476 -4.097 1.00 0.00 C ATOM 358 C GLU A 23 -11.543 4.607 -3.169 1.00 0.00 C ATOM 359 O GLU A 23 -12.354 5.137 -2.410 1.00 0.00 O ATOM 360 CB GLU A 23 -11.713 2.127 -3.420 1.00 0.00 C ATOM 361 CG GLU A 23 -12.195 0.923 -4.218 1.00 0.00 C ATOM 362 CD GLU A 23 -11.893 -0.385 -3.541 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.308 -0.365 -2.486 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.251 -1.406 -4.080 1.00 0.00 O ATOM 0 H GLU A 23 -10.334 3.122 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.032 3.580 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.644 2.021 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.206 2.124 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.270 1.005 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.726 0.934 -5.202 1.00 0.00 H new ATOM 371 N ALA A 24 -10.268 4.974 -3.236 1.00 0.00 N ATOM 372 CA ALA A 24 -9.745 6.079 -2.439 1.00 0.00 C ATOM 373 C ALA A 24 -8.765 6.923 -3.244 1.00 0.00 C ATOM 374 O ALA A 24 -7.550 6.790 -3.095 1.00 0.00 O ATOM 375 CB ALA A 24 -9.078 5.551 -1.177 1.00 0.00 C ATOM 0 H ALA A 24 -9.576 4.522 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.583 6.716 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.693 6.386 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.807 4.999 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.256 4.889 -1.450 1.00 0.00 H new ATOM 381 N PRO A 25 -9.299 7.791 -4.095 1.00 0.00 N ATOM 382 CA PRO A 25 -8.471 8.640 -4.944 1.00 0.00 C ATOM 383 C PRO A 25 -7.450 9.414 -4.120 1.00 0.00 C ATOM 384 O PRO A 25 -6.264 9.433 -4.446 1.00 0.00 O ATOM 385 CB PRO A 25 -9.494 9.574 -5.597 1.00 0.00 C ATOM 386 CG PRO A 25 -10.741 8.760 -5.669 1.00 0.00 C ATOM 387 CD PRO A 25 -10.747 7.973 -4.386 1.00 0.00 C ATOM 0 HA PRO A 25 -7.881 8.081 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.642 10.478 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.168 9.891 -6.588 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.625 9.393 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.737 8.103 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.255 8.511 -3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.258 7.017 -4.502 1.00 0.00 H new ATOM 395 N VAL A 26 -7.918 10.048 -3.050 1.00 0.00 N ATOM 396 CA VAL A 26 -7.083 10.954 -2.271 1.00 0.00 C ATOM 397 C VAL A 26 -5.980 10.198 -1.544 1.00 0.00 C ATOM 398 O VAL A 26 -4.804 10.552 -1.638 1.00 0.00 O ATOM 399 CB VAL A 26 -7.940 11.720 -1.245 1.00 0.00 C ATOM 400 CG1 VAL A 26 -7.053 12.531 -0.312 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.930 12.620 -1.966 1.00 0.00 C ATOM 0 H VAL A 26 -8.872 9.951 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.624 11.660 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.497 11.002 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.674 13.066 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.377 11.862 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.472 13.247 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.532 13.158 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.388 13.334 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.581 12.014 -2.596 1.00 0.00 H new ATOM 411 N THR A 27 -6.364 9.153 -0.818 1.00 0.00 N ATOM 412 CA THR A 27 -5.424 8.407 0.009 1.00 0.00 C ATOM 413 C THR A 27 -4.350 7.741 -0.843 1.00 0.00 C ATOM 414 O THR A 27 -3.165 7.786 -0.512 1.00 0.00 O ATOM 415 CB THR A 27 -6.150 7.341 0.850 1.00 0.00 C ATOM 416 OG1 THR A 27 -7.136 7.972 1.678 1.00 0.00 O ATOM 417 CG2 THR A 27 -5.161 6.590 1.729 1.00 0.00 C ATOM 0 H THR A 27 -7.322 8.804 -0.786 1.00 0.00 H new ATOM 0 HA THR A 27 -4.948 9.121 0.680 1.00 0.00 H new ATOM 0 HB THR A 27 -6.631 6.633 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.937 7.791 2.620 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.692 5.841 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.417 6.099 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.665 7.291 2.400 1.00 0.00 H new ATOM 425 N VAL A 28 -4.771 7.125 -1.941 1.00 0.00 N ATOM 426 CA VAL A 28 -3.846 6.449 -2.843 1.00 0.00 C ATOM 427 C VAL A 28 -2.879 7.439 -3.483 1.00 0.00 C ATOM 428 O VAL A 28 -1.682 7.174 -3.585 1.00 0.00 O ATOM 429 CB VAL A 28 -4.622 5.707 -3.948 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.670 5.213 -5.028 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.401 4.549 -3.344 1.00 0.00 C ATOM 0 H VAL A 28 -5.749 7.080 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.274 5.732 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.327 6.398 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.235 4.691 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.150 6.062 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.943 4.531 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.947 4.029 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.710 3.857 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.105 4.931 -2.605 1.00 0.00 H new ATOM 441 N ALA A 29 -3.407 8.580 -3.912 1.00 0.00 N ATOM 442 CA ALA A 29 -2.589 9.624 -4.515 1.00 0.00 C ATOM 443 C ALA A 29 -1.499 10.091 -3.557 1.00 0.00 C ATOM 444 O ALA A 29 -0.335 10.214 -3.939 1.00 0.00 O ATOM 445 CB ALA A 29 -3.457 10.799 -4.941 1.00 0.00 C ATOM 0 H ALA A 29 -4.400 8.805 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.106 9.205 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.831 11.570 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.194 10.461 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.968 11.208 -4.070 1.00 0.00 H new ATOM 451 N ASN A 30 -1.884 10.351 -2.312 1.00 0.00 N ATOM 452 CA ASN A 30 -0.946 10.832 -1.305 1.00 0.00 C ATOM 453 C ASN A 30 0.178 9.830 -1.076 1.00 0.00 C ATOM 454 O ASN A 30 1.355 10.191 -1.084 1.00 0.00 O ATOM 455 CB ASN A 30 -1.668 11.130 -0.003 1.00 0.00 C ATOM 456 CG ASN A 30 -2.501 12.379 -0.078 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.270 13.244 -0.931 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.468 12.490 0.797 1.00 0.00 N ATOM 0 H ASN A 30 -2.840 10.236 -1.976 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.501 11.756 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.308 10.286 0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.937 11.233 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.067 13.315 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.622 11.751 1.483 1.00 0.00 H new ATOM 465 N PHE A 31 -0.191 8.570 -0.874 1.00 0.00 N ATOM 466 CA PHE A 31 0.788 7.510 -0.657 1.00 0.00 C ATOM 467 C PHE A 31 1.713 7.361 -1.858 1.00 0.00 C ATOM 468 O PHE A 31 2.931 7.260 -1.706 1.00 0.00 O ATOM 469 CB PHE A 31 0.083 6.181 -0.381 1.00 0.00 C ATOM 470 CG PHE A 31 1.021 5.055 -0.052 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.443 4.843 1.252 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.484 4.205 -1.045 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.306 3.807 1.556 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.347 3.169 -0.745 1.00 0.00 C ATOM 475 CZ PHE A 31 2.758 2.971 0.558 1.00 0.00 C ATOM 0 H PHE A 31 -1.162 8.257 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 31 1.389 7.785 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.614 6.315 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.508 5.906 -1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.093 5.495 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.166 4.355 -2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.626 3.653 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.700 2.515 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.433 2.162 0.795 1.00 0.00 H new ATOM 485 N GLU A 32 1.129 7.346 -3.050 1.00 0.00 N ATOM 486 CA GLU A 32 1.902 7.233 -4.281 1.00 0.00 C ATOM 487 C GLU A 32 2.955 8.331 -4.372 1.00 0.00 C ATOM 488 O GLU A 32 4.127 8.061 -4.632 1.00 0.00 O ATOM 489 CB GLU A 32 0.979 7.296 -5.500 1.00 0.00 C ATOM 490 CG GLU A 32 1.704 7.374 -6.836 1.00 0.00 C ATOM 491 CD GLU A 32 0.790 7.718 -7.978 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.104 8.707 -7.889 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.779 6.990 -8.944 1.00 0.00 O ATOM 0 H GLU A 32 0.121 7.411 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 32 2.410 6.269 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.337 6.415 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.328 8.165 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.494 8.122 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.186 6.418 -7.038 1.00 0.00 H new ATOM 500 N LYS A 33 2.529 9.571 -4.159 1.00 0.00 N ATOM 501 CA LYS A 33 3.418 10.720 -4.284 1.00 0.00 C ATOM 502 C LYS A 33 4.581 10.625 -3.305 1.00 0.00 C ATOM 503 O LYS A 33 5.741 10.785 -3.685 1.00 0.00 O ATOM 504 CB LYS A 33 2.647 12.021 -4.062 1.00 0.00 C ATOM 505 CG LYS A 33 1.693 12.388 -5.191 1.00 0.00 C ATOM 506 CD LYS A 33 0.941 13.675 -4.883 1.00 0.00 C ATOM 507 CE LYS A 33 -0.028 14.032 -6.000 1.00 0.00 C ATOM 508 NZ LYS A 33 -0.766 15.292 -5.716 1.00 0.00 N ATOM 0 H LYS A 33 1.571 9.806 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 33 3.824 10.719 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.079 11.939 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.361 12.834 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.252 12.504 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.982 11.577 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.394 13.564 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.652 14.489 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.520 14.136 -6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.740 13.218 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.415 15.499 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.310 15.185 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.089 16.075 -5.611 1.00 0.00 H new ATOM 522 N LEU A 34 4.263 10.364 -2.041 1.00 0.00 N ATOM 523 CA LEU A 34 5.283 10.231 -1.007 1.00 0.00 C ATOM 524 C LEU A 34 6.297 9.155 -1.371 1.00 0.00 C ATOM 525 O LEU A 34 7.506 9.382 -1.314 1.00 0.00 O ATOM 526 CB LEU A 34 4.631 9.892 0.339 1.00 0.00 C ATOM 527 CG LEU A 34 3.863 11.037 1.014 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.121 10.504 2.232 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.837 12.138 1.405 1.00 0.00 C ATOM 0 H LEU A 34 3.307 10.240 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 34 5.806 11.184 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.946 9.058 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.408 9.548 1.022 1.00 0.00 H new ATOM 0 HG LEU A 34 3.131 11.454 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.576 11.318 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.419 9.731 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.836 10.082 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.293 12.952 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.578 11.739 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.339 12.513 0.513 1.00 0.00 H new ATOM 541 N ALA A 35 5.801 7.981 -1.745 1.00 0.00 N ATOM 542 CA ALA A 35 6.663 6.861 -2.105 1.00 0.00 C ATOM 543 C ALA A 35 7.616 7.241 -3.231 1.00 0.00 C ATOM 544 O ALA A 35 8.824 7.024 -3.135 1.00 0.00 O ATOM 545 CB ALA A 35 5.827 5.654 -2.503 1.00 0.00 C ATOM 0 H ALA A 35 4.803 7.780 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 35 7.260 6.601 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.485 4.827 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.193 5.359 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.203 5.910 -3.359 1.00 0.00 H new ATOM 551 N ASN A 36 7.065 7.808 -4.300 1.00 0.00 N ATOM 552 CA ASN A 36 7.842 8.102 -5.498 1.00 0.00 C ATOM 553 C ASN A 36 8.778 9.282 -5.272 1.00 0.00 C ATOM 554 O ASN A 36 9.784 9.431 -5.965 1.00 0.00 O ATOM 555 CB ASN A 36 6.925 8.364 -6.678 1.00 0.00 C ATOM 556 CG ASN A 36 6.243 7.117 -7.168 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.690 5.999 -6.889 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.166 7.287 -7.892 1.00 0.00 N ATOM 0 H ASN A 36 6.082 8.073 -4.360 1.00 0.00 H new ATOM 0 HA ASN A 36 8.454 7.229 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.171 9.097 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.503 8.802 -7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.660 6.478 -8.251 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.833 8.229 -8.098 1.00 0.00 H new ATOM 565 N GLU A 37 8.438 10.122 -4.300 1.00 0.00 N ATOM 566 CA GLU A 37 9.301 11.232 -3.910 1.00 0.00 C ATOM 567 C GLU A 37 10.374 10.777 -2.930 1.00 0.00 C ATOM 568 O GLU A 37 11.177 11.581 -2.457 1.00 0.00 O ATOM 569 CB GLU A 37 8.471 12.357 -3.288 1.00 0.00 C ATOM 570 CG GLU A 37 7.582 13.102 -4.273 1.00 0.00 C ATOM 571 CD GLU A 37 6.671 14.093 -3.605 1.00 0.00 C ATOM 572 OE1 GLU A 37 6.710 14.190 -2.402 1.00 0.00 O ATOM 573 OE2 GLU A 37 5.934 14.754 -4.298 1.00 0.00 O ATOM 0 H GLU A 37 7.571 10.055 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 37 9.794 11.604 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.846 11.938 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.146 13.071 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.208 13.623 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.982 12.382 -4.829 1.00 0.00 H new ATOM 580 N GLY A 38 10.382 9.483 -2.628 1.00 0.00 N ATOM 581 CA GLY A 38 11.453 8.888 -1.836 1.00 0.00 C ATOM 582 C GLY A 38 11.247 9.147 -0.349 1.00 0.00 C ATOM 583 O GLY A 38 12.192 9.095 0.437 1.00 0.00 O ATOM 0 H GLY A 38 9.659 8.826 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.491 7.814 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.413 9.299 -2.150 1.00 0.00 H new ATOM 587 N PHE A 39 10.004 9.425 0.031 1.00 0.00 N ATOM 588 CA PHE A 39 9.664 9.654 1.431 1.00 0.00 C ATOM 589 C PHE A 39 9.764 8.367 2.238 1.00 0.00 C ATOM 590 O PHE A 39 10.513 8.291 3.213 1.00 0.00 O ATOM 591 CB PHE A 39 8.251 10.228 1.550 1.00 0.00 C ATOM 592 CG PHE A 39 7.782 10.395 2.967 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.236 11.451 3.743 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.889 9.495 3.528 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.805 11.604 5.048 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.456 9.647 4.830 1.00 0.00 C ATOM 597 CZ PHE A 39 6.915 10.703 5.592 1.00 0.00 C ATOM 0 H PHE A 39 9.215 9.497 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 39 10.379 10.372 1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.219 11.196 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.557 9.573 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.933 12.161 3.324 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.528 8.665 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.166 12.431 5.642 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.758 8.940 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.578 10.823 6.611 1.00 0.00 H new ATOM 607 N TYR A 40 9.005 7.355 1.829 1.00 0.00 N ATOM 608 CA TYR A 40 8.966 6.086 2.546 1.00 0.00 C ATOM 609 C TYR A 40 10.277 5.326 2.389 1.00 0.00 C ATOM 610 O TYR A 40 10.645 4.521 3.246 1.00 0.00 O ATOM 611 CB TYR A 40 7.794 5.232 2.058 1.00 0.00 C ATOM 612 CG TYR A 40 6.437 5.781 2.440 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.070 5.856 3.775 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.561 6.211 1.455 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.831 6.357 4.124 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.322 6.714 1.803 1.00 0.00 C ATOM 617 CZ TYR A 40 3.959 6.785 3.143 1.00 0.00 C ATOM 618 OH TYR A 40 2.725 7.285 3.491 1.00 0.00 O ATOM 0 H TYR A 40 8.408 7.390 1.003 1.00 0.00 H new ATOM 0 HA TYR A 40 8.825 6.302 3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.848 5.144 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.896 4.226 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.753 5.523 4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.847 6.153 0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.545 6.414 5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.639 7.050 1.037 1.00 0.00 H new ATOM 0 HH TYR A 40 2.717 7.499 4.447 1.00 0.00 H new ATOM 628 N ASN A 41 10.977 5.583 1.290 1.00 0.00 N ATOM 629 CA ASN A 41 12.313 5.036 1.086 1.00 0.00 C ATOM 630 C ASN A 41 13.278 5.530 2.157 1.00 0.00 C ATOM 631 O ASN A 41 13.644 6.706 2.182 1.00 0.00 O ATOM 632 CB ASN A 41 12.828 5.384 -0.298 1.00 0.00 C ATOM 633 CG ASN A 41 14.177 4.784 -0.581 1.00 0.00 C ATOM 634 OD1 ASN A 41 14.959 4.524 0.340 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.465 4.561 -1.838 1.00 0.00 N ATOM 0 H ASN A 41 10.641 6.168 0.525 1.00 0.00 H new ATOM 0 HA ASN A 41 12.247 3.951 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.115 5.035 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.889 6.468 -0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.367 4.156 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.788 4.792 -2.565 1.00 0.00 H new ATOM 642 N GLY A 42 13.689 4.625 3.039 1.00 0.00 N ATOM 643 CA GLY A 42 14.624 4.964 4.104 1.00 0.00 C ATOM 644 C GLY A 42 13.937 4.953 5.464 1.00 0.00 C ATOM 645 O GLY A 42 14.598 4.948 6.504 1.00 0.00 O ATOM 0 H GLY A 42 13.389 3.650 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.451 4.254 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.051 5.949 3.917 1.00 0.00 H new ATOM 649 N LEU A 43 12.609 4.947 5.451 1.00 0.00 N ATOM 650 CA LEU A 43 11.830 4.872 6.681 1.00 0.00 C ATOM 651 C LEU A 43 11.580 3.425 7.086 1.00 0.00 C ATOM 652 O LEU A 43 11.833 2.501 6.312 1.00 0.00 O ATOM 653 CB LEU A 43 10.491 5.600 6.506 1.00 0.00 C ATOM 654 CG LEU A 43 10.586 7.088 6.144 1.00 0.00 C ATOM 655 CD1 LEU A 43 9.189 7.691 6.105 1.00 0.00 C ATOM 656 CD2 LEU A 43 11.463 7.804 7.161 1.00 0.00 C ATOM 0 H LEU A 43 12.048 4.993 4.600 1.00 0.00 H new ATOM 0 HA LEU A 43 12.404 5.356 7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.921 5.091 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.923 5.505 7.432 1.00 0.00 H new ATOM 0 HG LEU A 43 11.038 7.204 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.256 8.748 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.590 7.173 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.719 7.585 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.530 8.861 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.027 7.700 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.461 7.365 7.154 1.00 0.00 H new ATOM 668 N THR A 44 11.080 3.235 8.302 1.00 0.00 N ATOM 669 CA THR A 44 10.988 1.905 8.894 1.00 0.00 C ATOM 670 C THR A 44 9.564 1.594 9.332 1.00 0.00 C ATOM 671 O THR A 44 8.683 2.452 9.268 1.00 0.00 O ATOM 672 CB THR A 44 11.942 1.766 10.095 1.00 0.00 C ATOM 673 OG1 THR A 44 11.464 2.568 11.183 1.00 0.00 O ATOM 674 CG2 THR A 44 13.345 2.214 9.717 1.00 0.00 C ATOM 0 H THR A 44 10.732 3.986 8.898 1.00 0.00 H new ATOM 0 HA THR A 44 11.282 1.189 8.126 1.00 0.00 H new ATOM 0 HB THR A 44 11.975 0.718 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.071 2.478 11.947 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.005 2.109 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.716 1.597 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.322 3.258 9.403 1.00 0.00 H new ATOM 682 N PHE A 45 9.342 0.362 9.778 1.00 0.00 N ATOM 683 CA PHE A 45 8.114 0.009 10.478 1.00 0.00 C ATOM 684 C PHE A 45 8.318 0.015 11.988 1.00 0.00 C ATOM 685 O PHE A 45 8.792 -0.964 12.564 1.00 0.00 O ATOM 686 CB PHE A 45 7.620 -1.368 10.031 1.00 0.00 C ATOM 687 CG PHE A 45 7.128 -1.404 8.613 1.00 0.00 C ATOM 688 CD1 PHE A 45 5.813 -1.083 8.310 1.00 0.00 C ATOM 689 CD2 PHE A 45 7.979 -1.758 7.578 1.00 0.00 C ATOM 690 CE1 PHE A 45 5.358 -1.117 7.006 1.00 0.00 C ATOM 691 CE2 PHE A 45 7.528 -1.792 6.271 1.00 0.00 C ATOM 692 CZ PHE A 45 6.218 -1.472 5.986 1.00 0.00 C ATOM 0 H PHE A 45 9.999 -0.410 9.666 1.00 0.00 H new ATOM 0 HA PHE A 45 7.364 0.759 10.228 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.430 -2.088 10.143 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.815 -1.688 10.693 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.136 -0.803 9.104 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.007 -2.010 7.795 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.331 -0.866 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.202 -2.069 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.865 -1.499 4.966 1.00 0.00 H new ATOM 702 N HIS A 46 7.960 1.125 12.625 1.00 0.00 N ATOM 703 CA HIS A 46 8.380 1.392 13.995 1.00 0.00 C ATOM 704 C HIS A 46 7.660 0.481 14.979 1.00 0.00 C ATOM 705 O HIS A 46 8.143 0.241 16.086 1.00 0.00 O ATOM 706 CB HIS A 46 8.123 2.858 14.364 1.00 0.00 C ATOM 707 CG HIS A 46 6.674 3.236 14.349 1.00 0.00 C ATOM 708 ND1 HIS A 46 5.870 3.146 15.466 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.884 3.703 13.353 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.648 3.544 15.158 1.00 0.00 C ATOM 711 NE2 HIS A 46 4.630 3.887 13.883 1.00 0.00 N ATOM 0 H HIS A 46 7.379 1.855 12.213 1.00 0.00 H new ATOM 0 HA HIS A 46 9.450 1.191 14.056 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.530 3.050 15.357 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.664 3.499 13.668 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.171 2.823 16.385 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.184 3.895 12.333 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.807 3.582 15.834 1.00 0.00 H new ATOM 718 N ARG A 47 6.501 -0.026 14.571 1.00 0.00 N ATOM 719 CA ARG A 47 5.685 -0.868 15.437 1.00 0.00 C ATOM 720 C ARG A 47 5.071 -2.025 14.660 1.00 0.00 C ATOM 721 O ARG A 47 3.972 -1.910 14.117 1.00 0.00 O ATOM 722 CB ARG A 47 4.577 -0.053 16.086 1.00 0.00 C ATOM 723 CG ARG A 47 3.752 -0.804 17.120 1.00 0.00 C ATOM 724 CD ARG A 47 2.709 0.063 17.726 1.00 0.00 C ATOM 725 NE ARG A 47 1.866 -0.672 18.655 1.00 0.00 N ATOM 726 CZ ARG A 47 0.794 -0.156 19.286 1.00 0.00 C ATOM 727 NH1 ARG A 47 0.446 1.094 19.077 1.00 0.00 N ATOM 728 NH2 ARG A 47 0.090 -0.908 20.115 1.00 0.00 N ATOM 0 H ARG A 47 6.106 0.132 13.644 1.00 0.00 H new ATOM 0 HA ARG A 47 6.338 -1.272 16.211 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.020 0.822 16.562 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.910 0.312 15.306 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.280 -1.668 16.651 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.408 -1.185 17.902 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.185 0.894 18.247 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.091 0.493 16.938 1.00 0.00 H new ATOM 0 HE ARG A 47 2.103 -1.646 18.842 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.988 1.674 18.436 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.366 1.484 19.555 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.359 -1.879 20.276 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.722 -0.518 20.593 1.00 0.00 H new ATOM 742 N VAL A 48 5.789 -3.143 14.609 1.00 0.00 N ATOM 743 CA VAL A 48 5.277 -4.354 13.978 1.00 0.00 C ATOM 744 C VAL A 48 4.767 -5.343 15.018 1.00 0.00 C ATOM 745 O VAL A 48 5.460 -5.654 15.987 1.00 0.00 O ATOM 746 CB VAL A 48 6.378 -5.023 13.133 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.868 -6.321 12.525 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.849 -4.067 12.048 1.00 0.00 C ATOM 0 H VAL A 48 6.728 -3.235 14.997 1.00 0.00 H new ATOM 0 HA VAL A 48 4.446 -4.066 13.334 1.00 0.00 H new ATOM 0 HB VAL A 48 7.223 -5.262 13.778 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.659 -6.780 11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.569 -7.003 13.321 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.010 -6.111 11.886 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.627 -4.546 11.454 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.010 -3.806 11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.248 -3.163 12.508 1.00 0.00 H new ATOM 758 N ILE A 49 3.550 -5.837 14.811 1.00 0.00 N ATOM 759 CA ILE A 49 2.960 -6.823 15.709 1.00 0.00 C ATOM 760 C ILE A 49 2.583 -8.095 14.960 1.00 0.00 C ATOM 761 O ILE A 49 1.497 -8.192 14.391 1.00 0.00 O ATOM 762 CB ILE A 49 1.715 -6.250 16.410 1.00 0.00 C ATOM 763 CG1 ILE A 49 2.054 -4.933 17.113 1.00 0.00 C ATOM 764 CG2 ILE A 49 1.152 -7.257 17.402 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.848 -4.199 17.652 1.00 0.00 C ATOM 0 H ILE A 49 2.953 -5.570 14.028 1.00 0.00 H new ATOM 0 HA ILE A 49 3.711 -7.069 16.460 1.00 0.00 H new ATOM 0 HB ILE A 49 0.955 -6.050 15.655 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.740 -5.137 17.935 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.580 -4.284 16.413 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.272 -6.836 17.889 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.873 -8.170 16.875 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.907 -7.488 18.154 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.170 -3.277 18.136 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.170 -3.962 16.832 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.333 -4.829 18.378 1.00 0.00 H new ATOM 777 N PRO A 50 3.488 -9.067 14.966 1.00 0.00 N ATOM 778 CA PRO A 50 3.266 -10.324 14.260 1.00 0.00 C ATOM 779 C PRO A 50 1.960 -10.977 14.694 1.00 0.00 C ATOM 780 O PRO A 50 1.708 -11.148 15.887 1.00 0.00 O ATOM 781 CB PRO A 50 4.481 -11.164 14.663 1.00 0.00 C ATOM 782 CG PRO A 50 5.554 -10.161 14.913 1.00 0.00 C ATOM 783 CD PRO A 50 4.842 -9.006 15.565 1.00 0.00 C ATOM 0 HA PRO A 50 3.174 -10.203 13.181 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.276 -11.758 15.554 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.763 -11.860 13.873 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.332 -10.565 15.561 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.038 -9.857 13.985 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.809 -9.113 16.649 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.335 -8.057 15.353 1.00 0.00 H new ATOM 791 N GLY A 51 1.134 -11.341 13.720 1.00 0.00 N ATOM 792 CA GLY A 51 -0.109 -12.053 13.996 1.00 0.00 C ATOM 793 C GLY A 51 -1.290 -11.094 14.068 1.00 0.00 C ATOM 794 O GLY A 51 -2.442 -11.518 14.144 1.00 0.00 O ATOM 0 H GLY A 51 1.302 -11.155 12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.287 -12.795 13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.019 -12.595 14.938 1.00 0.00 H new ATOM 798 N PHE A 52 -0.995 -9.798 14.045 1.00 0.00 N ATOM 799 CA PHE A 52 -2.032 -8.776 14.103 1.00 0.00 C ATOM 800 C PHE A 52 -1.850 -7.743 12.998 1.00 0.00 C ATOM 801 O PHE A 52 -2.277 -7.955 11.862 1.00 0.00 O ATOM 802 CB PHE A 52 -2.021 -8.079 15.465 1.00 0.00 C ATOM 803 CG PHE A 52 -2.463 -8.959 16.600 1.00 0.00 C ATOM 804 CD1 PHE A 52 -3.802 -9.054 16.943 1.00 0.00 C ATOM 805 CD2 PHE A 52 -1.537 -9.696 17.325 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.209 -9.862 17.987 1.00 0.00 C ATOM 807 CE2 PHE A 52 -1.941 -10.507 18.369 1.00 0.00 C ATOM 808 CZ PHE A 52 -3.277 -10.589 18.700 1.00 0.00 C ATOM 0 H PHE A 52 -0.045 -9.431 13.987 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.992 -9.271 13.960 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.013 -7.717 15.669 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.671 -7.205 15.421 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.536 -8.490 16.388 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.489 -9.635 17.071 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.256 -9.925 18.245 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.211 -11.076 18.925 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.594 -11.221 19.516 1.00 0.00 H new ATOM 818 N VAL A 53 -1.215 -6.627 13.337 1.00 0.00 N ATOM 819 CA VAL A 53 -0.998 -5.548 12.380 1.00 0.00 C ATOM 820 C VAL A 53 0.406 -4.973 12.506 1.00 0.00 C ATOM 821 O VAL A 53 1.179 -5.383 13.372 1.00 0.00 O ATOM 822 CB VAL A 53 -2.031 -4.426 12.598 1.00 0.00 C ATOM 823 CG1 VAL A 53 -3.441 -4.947 12.366 1.00 0.00 C ATOM 824 CG2 VAL A 53 -1.889 -3.858 14.002 1.00 0.00 C ATOM 0 H VAL A 53 -0.841 -6.445 14.268 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.115 -5.964 11.379 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.844 -3.628 11.879 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.157 -4.141 12.524 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.529 -5.315 11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.648 -5.759 13.063 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.622 -3.065 14.150 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.057 -4.649 14.733 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.885 -3.453 14.131 1.00 0.00 H new ATOM 834 N SER A 54 0.731 -4.022 11.638 1.00 0.00 N ATOM 835 CA SER A 54 2.001 -3.309 11.721 1.00 0.00 C ATOM 836 C SER A 54 1.852 -1.864 11.263 1.00 0.00 C ATOM 837 O SER A 54 1.067 -1.565 10.363 1.00 0.00 O ATOM 838 CB SER A 54 3.048 -4.011 10.878 1.00 0.00 C ATOM 839 OG SER A 54 2.704 -3.978 9.520 1.00 0.00 O ATOM 0 H SER A 54 0.132 -3.726 10.867 1.00 0.00 H new ATOM 0 HA SER A 54 2.318 -3.306 12.764 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.017 -3.533 11.023 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.150 -5.045 11.206 1.00 0.00 H new ATOM 0 HG SER A 54 1.801 -4.341 9.402 1.00 0.00 H new ATOM 845 N GLN A 55 2.612 -0.971 11.888 1.00 0.00 N ATOM 846 CA GLN A 55 2.581 0.444 11.533 1.00 0.00 C ATOM 847 C GLN A 55 3.973 0.954 11.187 1.00 0.00 C ATOM 848 O GLN A 55 4.942 0.672 11.891 1.00 0.00 O ATOM 849 CB GLN A 55 1.991 1.271 12.678 1.00 0.00 C ATOM 850 CG GLN A 55 1.803 2.743 12.350 1.00 0.00 C ATOM 851 CD GLN A 55 1.170 3.514 13.492 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.982 2.983 14.589 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.835 4.774 13.239 1.00 0.00 N ATOM 0 H GLN A 55 3.257 -1.202 12.643 1.00 0.00 H new ATOM 0 HA GLN A 55 1.947 0.553 10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.027 0.847 12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.643 1.184 13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.770 3.185 12.109 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.179 2.838 11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.009 5.173 12.316 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.404 5.343 13.967 1.00 0.00 H new ATOM 862 N GLY A 56 4.067 1.708 10.096 1.00 0.00 N ATOM 863 CA GLY A 56 5.346 2.235 9.637 1.00 0.00 C ATOM 864 C GLY A 56 5.153 3.484 8.786 1.00 0.00 C ATOM 865 O GLY A 56 4.040 3.991 8.655 1.00 0.00 O ATOM 0 H GLY A 56 3.271 1.968 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.975 2.470 10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.869 1.474 9.058 1.00 0.00 H new ATOM 869 N GLY A 57 6.245 3.975 8.209 1.00 0.00 N ATOM 870 CA GLY A 57 6.203 5.182 7.392 1.00 0.00 C ATOM 871 C GLY A 57 6.406 6.430 8.242 1.00 0.00 C ATOM 872 O GLY A 57 6.084 7.540 7.819 1.00 0.00 O ATOM 0 H GLY A 57 7.171 3.555 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.975 5.132 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.245 5.242 6.876 1.00 0.00 H new ATOM 876 N CYS A 58 6.942 6.240 9.443 1.00 0.00 N ATOM 877 CA CYS A 58 7.139 7.344 10.376 1.00 0.00 C ATOM 878 C CYS A 58 8.463 8.052 10.122 1.00 0.00 C ATOM 879 O CYS A 58 9.528 7.435 10.174 1.00 0.00 O ATOM 880 CB CYS A 58 7.105 6.839 11.819 1.00 0.00 C ATOM 881 SG CYS A 58 7.284 8.143 13.061 1.00 0.00 S ATOM 0 H CYS A 58 7.248 5.332 9.793 1.00 0.00 H new ATOM 0 HA CYS A 58 6.327 8.054 10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.163 6.317 11.988 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.903 6.109 11.956 1.00 0.00 H new ATOM 0 HG CYS A 58 6.454 9.108 12.799 1.00 0.00 H new ATOM 887 N PRO A 59 8.391 9.349 9.846 1.00 0.00 N ATOM 888 CA PRO A 59 9.572 10.121 9.477 1.00 0.00 C ATOM 889 C PRO A 59 10.377 10.518 10.707 1.00 0.00 C ATOM 890 O PRO A 59 11.571 10.806 10.615 1.00 0.00 O ATOM 891 CB PRO A 59 8.978 11.345 8.772 1.00 0.00 C ATOM 892 CG PRO A 59 7.655 11.541 9.431 1.00 0.00 C ATOM 893 CD PRO A 59 7.151 10.145 9.681 1.00 0.00 C ATOM 0 HA PRO A 59 10.270 9.567 8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.616 12.221 8.891 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.868 11.173 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.753 12.100 10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.972 12.102 8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.524 10.099 10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.549 9.781 8.848 1.00 0.00 H new ATOM 901 N ARG A 60 9.717 10.531 11.861 1.00 0.00 N ATOM 902 CA ARG A 60 10.353 10.957 13.102 1.00 0.00 C ATOM 903 C ARG A 60 11.097 9.805 13.763 1.00 0.00 C ATOM 904 O ARG A 60 12.126 10.007 14.408 1.00 0.00 O ATOM 905 CB ARG A 60 9.317 11.510 14.071 1.00 0.00 C ATOM 906 CG ARG A 60 8.608 12.769 13.598 1.00 0.00 C ATOM 907 CD ARG A 60 7.727 13.333 14.653 1.00 0.00 C ATOM 908 NE ARG A 60 6.898 14.414 14.147 1.00 0.00 N ATOM 909 CZ ARG A 60 7.270 15.708 14.107 1.00 0.00 C ATOM 910 NH1 ARG A 60 8.456 16.065 14.544 1.00 0.00 N ATOM 911 NH2 ARG A 60 6.441 16.619 13.627 1.00 0.00 N ATOM 0 H ARG A 60 8.741 10.251 11.962 1.00 0.00 H new ATOM 0 HA ARG A 60 11.069 11.739 12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.570 10.739 14.261 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.806 11.721 15.022 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.347 13.514 13.304 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.015 12.542 12.712 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.090 12.544 15.054 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.338 13.700 15.478 1.00 0.00 H new ATOM 0 HE ARG A 60 5.970 14.176 13.798 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.096 15.362 14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.737 17.045 14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.520 16.342 13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.722 17.599 13.597 1.00 0.00 H new ATOM 925 N GLY A 61 10.572 8.596 13.600 1.00 0.00 N ATOM 926 CA GLY A 61 11.184 7.409 14.186 1.00 0.00 C ATOM 927 C GLY A 61 10.806 7.263 15.655 1.00 0.00 C ATOM 928 O GLY A 61 11.323 6.393 16.355 1.00 0.00 O ATOM 0 H GLY A 61 9.723 8.412 13.066 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.866 6.523 13.636 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.268 7.471 14.091 1.00 0.00 H new ATOM 932 N ASN A 62 9.903 8.121 16.116 1.00 0.00 N ATOM 933 CA ASN A 62 9.489 8.121 17.514 1.00 0.00 C ATOM 934 C ASN A 62 8.057 7.625 17.665 1.00 0.00 C ATOM 935 O ASN A 62 7.486 7.667 18.754 1.00 0.00 O ATOM 936 CB ASN A 62 9.641 9.505 18.117 1.00 0.00 C ATOM 937 CG ASN A 62 11.076 9.943 18.205 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.879 9.341 18.926 1.00 0.00 O ATOM 939 ND2 ASN A 62 11.414 10.982 17.484 1.00 0.00 N ATOM 0 H ASN A 62 9.443 8.827 15.541 1.00 0.00 H new ATOM 0 HA ASN A 62 10.140 7.434 18.055 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.082 10.222 17.516 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.201 9.513 19.114 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.374 11.325 17.503 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.717 11.448 16.903 1.00 0.00 H new ATOM 946 N GLY A 63 7.481 7.154 16.564 1.00 0.00 N ATOM 947 CA GLY A 63 6.109 6.661 16.568 1.00 0.00 C ATOM 948 C GLY A 63 5.133 7.746 16.128 1.00 0.00 C ATOM 949 O GLY A 63 3.969 7.466 15.840 1.00 0.00 O ATOM 0 H GLY A 63 7.944 7.103 15.657 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.026 5.802 15.902 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.847 6.316 17.568 1.00 0.00 H new ATOM 953 N THR A 64 5.614 8.983 16.079 1.00 0.00 N ATOM 954 CA THR A 64 4.768 10.120 15.741 1.00 0.00 C ATOM 955 C THR A 64 5.018 10.589 14.314 1.00 0.00 C ATOM 956 O THR A 64 6.165 10.728 13.888 1.00 0.00 O ATOM 957 CB THR A 64 4.995 11.291 16.716 1.00 0.00 C ATOM 958 OG1 THR A 64 4.670 10.875 18.049 1.00 0.00 O ATOM 959 CG2 THR A 64 4.129 12.480 16.335 1.00 0.00 C ATOM 0 H THR A 64 6.587 9.224 16.269 1.00 0.00 H new ATOM 0 HA THR A 64 3.734 9.786 15.825 1.00 0.00 H new ATOM 0 HB THR A 64 6.042 11.588 16.665 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.816 11.620 18.669 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.304 13.297 17.035 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.383 12.806 15.326 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.079 12.191 16.369 1.00 0.00 H new ATOM 967 N GLY A 65 3.939 10.831 13.578 1.00 0.00 N ATOM 968 CA GLY A 65 4.040 11.238 12.181 1.00 0.00 C ATOM 969 C GLY A 65 4.411 12.710 12.061 1.00 0.00 C ATOM 970 O GLY A 65 4.388 13.448 13.045 1.00 0.00 O ATOM 0 H GLY A 65 2.983 10.752 13.926 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.790 10.629 11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.090 11.058 11.677 1.00 0.00 H new ATOM 974 N ASP A 66 4.753 13.130 10.848 1.00 0.00 N ATOM 975 CA ASP A 66 5.062 14.531 10.581 1.00 0.00 C ATOM 976 C ASP A 66 4.361 15.019 9.320 1.00 0.00 C ATOM 977 O ASP A 66 5.010 15.451 8.367 1.00 0.00 O ATOM 978 CB ASP A 66 6.573 14.730 10.443 1.00 0.00 C ATOM 979 CG ASP A 66 6.973 16.198 10.366 1.00 0.00 C ATOM 980 OD1 ASP A 66 6.157 17.032 10.677 1.00 0.00 O ATOM 981 OD2 ASP A 66 8.090 16.469 9.997 1.00 0.00 O ATOM 0 H ASP A 66 4.823 12.520 10.033 1.00 0.00 H new ATOM 0 HA ASP A 66 4.700 15.117 11.426 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.075 14.266 11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.922 14.216 9.547 1.00 0.00 H new ATOM 986 N ALA A 67 3.035 14.947 9.321 1.00 0.00 N ATOM 987 CA ALA A 67 2.246 15.345 8.160 1.00 0.00 C ATOM 988 C ALA A 67 0.806 15.653 8.552 1.00 0.00 C ATOM 989 O ALA A 67 0.375 15.341 9.663 1.00 0.00 O ATOM 990 CB ALA A 67 2.284 14.257 7.097 1.00 0.00 C ATOM 0 H ALA A 67 2.483 14.617 10.113 1.00 0.00 H new ATOM 0 HA ALA A 67 2.685 16.254 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.691 14.568 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.315 14.089 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.873 13.334 7.506 1.00 0.00 H new ATOM 996 N GLY A 68 0.066 16.264 7.635 1.00 0.00 N ATOM 997 CA GLY A 68 -1.330 16.606 7.879 1.00 0.00 C ATOM 998 C GLY A 68 -2.124 16.640 6.580 1.00 0.00 C ATOM 999 O GLY A 68 -2.190 17.670 5.908 1.00 0.00 O ATOM 0 H GLY A 68 0.410 16.533 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.772 15.878 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.389 17.578 8.370 1.00 0.00 H new ATOM 1003 N TYR A 69 -2.728 15.508 6.231 1.00 0.00 N ATOM 1004 CA TYR A 69 -3.464 15.387 4.978 1.00 0.00 C ATOM 1005 C TYR A 69 -4.968 15.403 5.221 1.00 0.00 C ATOM 1006 O TYR A 69 -5.443 14.960 6.266 1.00 0.00 O ATOM 1007 CB TYR A 69 -3.058 14.111 4.241 1.00 0.00 C ATOM 1008 CG TYR A 69 -1.616 14.101 3.784 1.00 0.00 C ATOM 1009 CD1 TYR A 69 -1.240 14.819 2.658 1.00 0.00 C ATOM 1010 CD2 TYR A 69 -0.669 13.375 4.492 1.00 0.00 C ATOM 1011 CE1 TYR A 69 0.077 14.810 2.241 1.00 0.00 C ATOM 1012 CE2 TYR A 69 0.648 13.367 4.075 1.00 0.00 C ATOM 1013 CZ TYR A 69 1.018 14.087 2.945 1.00 0.00 C ATOM 1014 OH TYR A 69 2.330 14.079 2.530 1.00 0.00 O ATOM 0 H TYR A 69 -2.722 14.661 6.799 1.00 0.00 H new ATOM 0 HA TYR A 69 -3.213 16.246 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.228 13.256 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.705 13.982 3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.977 15.385 2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.961 12.816 5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.370 15.369 1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.387 12.804 4.625 1.00 0.00 H new ATOM 0 HH TYR A 69 2.918 13.966 3.306 1.00 0.00 H new ATOM 1024 N THR A 70 -5.714 15.915 4.248 1.00 0.00 N ATOM 1025 CA THR A 70 -7.169 15.850 4.282 1.00 0.00 C ATOM 1026 C THR A 70 -7.677 14.552 3.666 1.00 0.00 C ATOM 1027 O THR A 70 -7.702 14.401 2.445 1.00 0.00 O ATOM 1028 CB THR A 70 -7.796 17.050 3.550 1.00 0.00 C ATOM 1029 OG1 THR A 70 -7.386 18.269 4.183 1.00 0.00 O ATOM 1030 CG2 THR A 70 -9.314 16.957 3.575 1.00 0.00 C ATOM 0 H THR A 70 -5.333 16.381 3.424 1.00 0.00 H new ATOM 0 HA THR A 70 -7.468 15.882 5.330 1.00 0.00 H new ATOM 0 HB THR A 70 -7.458 17.039 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.785 19.031 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.740 17.814 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.630 16.038 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.661 16.953 4.608 1.00 0.00 H new ATOM 1038 N ILE A 71 -8.082 13.617 4.519 1.00 0.00 N ATOM 1039 CA ILE A 71 -8.571 12.322 4.061 1.00 0.00 C ATOM 1040 C ILE A 71 -10.057 12.160 4.350 1.00 0.00 C ATOM 1041 O ILE A 71 -10.451 11.868 5.479 1.00 0.00 O ATOM 1042 CB ILE A 71 -7.790 11.173 4.726 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -6.285 11.355 4.509 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -8.251 9.831 4.179 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -5.874 11.355 3.054 1.00 0.00 C ATOM 0 H ILE A 71 -8.081 13.732 5.532 1.00 0.00 H new ATOM 0 HA ILE A 71 -8.417 12.281 2.983 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.988 11.193 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.973 12.294 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.753 10.557 5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.689 9.030 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.314 9.701 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.081 9.799 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.795 11.488 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.154 10.406 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.377 12.171 2.534 1.00 0.00 H new ATOM 1057 N PRO A 72 -10.880 12.352 3.323 1.00 0.00 N ATOM 1058 CA PRO A 72 -12.318 12.146 3.444 1.00 0.00 C ATOM 1059 C PRO A 72 -12.634 10.730 3.908 1.00 0.00 C ATOM 1060 O PRO A 72 -11.961 9.775 3.518 1.00 0.00 O ATOM 1061 CB PRO A 72 -12.823 12.402 2.021 1.00 0.00 C ATOM 1062 CG PRO A 72 -11.790 13.292 1.420 1.00 0.00 C ATOM 1063 CD PRO A 72 -10.488 12.785 1.980 1.00 0.00 C ATOM 0 HA PRO A 72 -12.787 12.795 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.922 11.472 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.804 12.877 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.803 13.237 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.959 14.335 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.082 11.964 1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.726 13.564 2.009 1.00 0.00 H new ATOM 1071 N CYS A 73 -13.661 10.600 4.741 1.00 0.00 N ATOM 1072 CA CYS A 73 -14.086 9.296 5.235 1.00 0.00 C ATOM 1073 C CYS A 73 -14.977 8.587 4.223 1.00 0.00 C ATOM 1074 O CYS A 73 -16.153 8.335 4.486 1.00 0.00 O ATOM 1075 CB CYS A 73 -14.840 9.442 6.557 1.00 0.00 C ATOM 1076 SG CYS A 73 -15.198 7.872 7.381 1.00 0.00 S ATOM 0 H CYS A 73 -14.215 11.383 5.088 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.189 8.698 5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -14.254 10.068 7.230 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -15.778 9.965 6.372 1.00 0.00 H new ATOM 0 HG CYS A 73 -15.836 8.100 8.491 1.00 0.00 H new ATOM 1082 N GLU A 74 -14.411 8.268 3.064 1.00 0.00 N ATOM 1083 CA GLU A 74 -15.165 7.629 1.993 1.00 0.00 C ATOM 1084 C GLU A 74 -15.401 6.154 2.289 1.00 0.00 C ATOM 1085 O GLU A 74 -14.456 5.393 2.493 1.00 0.00 O ATOM 1086 CB GLU A 74 -14.429 7.781 0.660 1.00 0.00 C ATOM 1087 CG GLU A 74 -15.188 7.237 -0.543 1.00 0.00 C ATOM 1088 CD GLU A 74 -14.468 7.465 -1.841 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -13.407 8.041 -1.818 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -14.978 7.061 -2.861 1.00 0.00 O ATOM 0 H GLU A 74 -13.431 8.442 2.843 1.00 0.00 H new ATOM 0 HA GLU A 74 -16.134 8.124 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.218 8.837 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.468 7.271 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.354 6.168 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.170 7.708 -0.590 1.00 0.00 H new ATOM 1097 N THR A 75 -16.669 5.756 2.310 1.00 0.00 N ATOM 1098 CA THR A 75 -17.027 4.350 2.459 1.00 0.00 C ATOM 1099 C THR A 75 -17.804 3.850 1.248 1.00 0.00 C ATOM 1100 O THR A 75 -17.858 2.648 0.985 1.00 0.00 O ATOM 1101 CB THR A 75 -17.857 4.121 3.736 1.00 0.00 C ATOM 1102 OG1 THR A 75 -19.083 4.859 3.651 1.00 0.00 O ATOM 1103 CG2 THR A 75 -17.082 4.574 4.964 1.00 0.00 C ATOM 0 H THR A 75 -17.466 6.387 2.226 1.00 0.00 H new ATOM 0 HA THR A 75 -16.097 3.786 2.538 1.00 0.00 H new ATOM 0 HB THR A 75 -18.071 3.056 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 75 -19.611 4.711 4.463 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.684 4.405 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.154 4.006 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.852 5.636 4.878 1.00 0.00 H new ATOM 1111 N ASP A 76 -18.406 4.778 0.511 1.00 0.00 N ATOM 1112 CA ASP A 76 -19.148 4.436 -0.696 1.00 0.00 C ATOM 1113 C ASP A 76 -18.243 3.785 -1.734 1.00 0.00 C ATOM 1114 O ASP A 76 -17.393 4.446 -2.331 1.00 0.00 O ATOM 1115 CB ASP A 76 -19.805 5.684 -1.293 1.00 0.00 C ATOM 1116 CG ASP A 76 -20.685 5.372 -2.496 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -20.667 4.251 -2.945 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -21.365 6.258 -2.954 1.00 0.00 O ATOM 0 H ASP A 76 -18.394 5.774 0.730 1.00 0.00 H new ATOM 0 HA ASP A 76 -19.922 3.721 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -20.406 6.174 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -19.029 6.390 -1.590 1.00 0.00 H new ATOM 1123 N ASN A 77 -18.429 2.487 -1.944 1.00 0.00 N ATOM 1124 CA ASN A 77 -17.556 1.720 -2.823 1.00 0.00 C ATOM 1125 C ASN A 77 -16.106 1.800 -2.365 1.00 0.00 C ATOM 1126 O ASN A 77 -15.193 1.932 -3.181 1.00 0.00 O ATOM 1127 CB ASN A 77 -17.690 2.196 -4.258 1.00 0.00 C ATOM 1128 CG ASN A 77 -17.171 1.193 -5.251 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -17.197 -0.017 -5.000 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -16.700 1.673 -6.374 1.00 0.00 N ATOM 0 H ASN A 77 -19.178 1.943 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.866 0.676 -2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -18.738 2.404 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.148 3.134 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.334 1.040 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.699 2.680 -6.538 1.00 0.00 H new ATOM 1137 N ASN A 78 -15.899 1.719 -1.055 1.00 0.00 N ATOM 1138 CA ASN A 78 -14.556 1.758 -0.487 1.00 0.00 C ATOM 1139 C ASN A 78 -14.465 0.900 0.768 1.00 0.00 C ATOM 1140 O ASN A 78 -14.426 1.419 1.884 1.00 0.00 O ATOM 1141 CB ASN A 78 -14.143 3.187 -0.190 1.00 0.00 C ATOM 1142 CG ASN A 78 -12.713 3.293 0.261 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -11.896 2.405 -0.010 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -12.394 4.362 0.945 1.00 0.00 N ATOM 0 H ASN A 78 -16.645 1.626 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.867 1.346 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.285 3.795 -1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.795 3.597 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.438 4.488 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.101 5.069 1.145 1.00 0.00 H new ATOM 1151 N PRO A 79 -14.430 -0.415 0.580 1.00 0.00 N ATOM 1152 CA PRO A 79 -14.356 -1.347 1.698 1.00 0.00 C ATOM 1153 C PRO A 79 -13.142 -1.062 2.574 1.00 0.00 C ATOM 1154 O PRO A 79 -12.064 -0.744 2.073 1.00 0.00 O ATOM 1155 CB PRO A 79 -14.245 -2.708 1.005 1.00 0.00 C ATOM 1156 CG PRO A 79 -14.925 -2.508 -0.306 1.00 0.00 C ATOM 1157 CD PRO A 79 -14.541 -1.111 -0.717 1.00 0.00 C ATOM 0 HA PRO A 79 -15.211 -1.282 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.204 -3.004 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.727 -3.492 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.596 -3.243 -1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.006 -2.612 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.601 -1.094 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.295 -0.655 -1.359 1.00 0.00 H new ATOM 1165 N HIS A 80 -13.325 -1.177 3.885 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.233 -0.979 4.830 1.00 0.00 C ATOM 1167 C HIS A 80 -11.979 -2.238 5.650 1.00 0.00 C ATOM 1168 O HIS A 80 -11.922 -2.190 6.880 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.535 0.195 5.768 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.664 1.510 5.063 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.591 2.145 4.474 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -13.737 2.308 4.855 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -12.000 3.278 3.931 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -13.296 3.401 4.149 1.00 0.00 N ATOM 0 H HIS A 80 -14.220 -1.406 4.317 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.336 -0.753 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.460 -0.011 6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.742 0.268 6.512 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.749 2.121 5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.379 3.984 3.399 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.877 4.182 3.843 1.00 0.00 H new ATOM 1181 N ARG A 81 -11.825 -3.364 4.962 1.00 0.00 N ATOM 1182 CA ARG A 81 -11.565 -4.637 5.625 1.00 0.00 C ATOM 1183 C ARG A 81 -10.100 -4.760 6.025 1.00 0.00 C ATOM 1184 O ARG A 81 -9.204 -4.509 5.221 1.00 0.00 O ATOM 1185 CB ARG A 81 -11.940 -5.799 4.717 1.00 0.00 C ATOM 1186 CG ARG A 81 -13.421 -5.906 4.392 1.00 0.00 C ATOM 1187 CD ARG A 81 -13.685 -6.949 3.369 1.00 0.00 C ATOM 1188 NE ARG A 81 -13.190 -6.562 2.058 1.00 0.00 N ATOM 1189 CZ ARG A 81 -13.102 -7.390 0.999 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -13.477 -8.645 1.111 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -12.636 -6.940 -0.154 1.00 0.00 N ATOM 0 H ARG A 81 -11.876 -3.421 3.945 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.178 -4.669 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.384 -5.706 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.618 -6.728 5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.977 -6.138 5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.785 -4.943 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.213 -7.883 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.757 -7.137 3.311 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.888 -5.596 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.835 -8.993 2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.410 -9.271 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.344 -5.967 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.569 -7.566 -0.956 1.00 0.00 H new ATOM 1205 N HIS A 82 -9.864 -5.150 7.274 1.00 0.00 N ATOM 1206 CA HIS A 82 -8.507 -5.333 7.775 1.00 0.00 C ATOM 1207 C HIS A 82 -8.115 -6.805 7.775 1.00 0.00 C ATOM 1208 O HIS A 82 -8.103 -7.454 8.821 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.371 -4.762 9.190 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.376 -3.266 9.238 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.421 -2.510 8.748 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.466 -2.386 9.716 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.152 -1.228 8.925 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -7.972 -1.126 9.508 1.00 0.00 N ATOM 0 H HIS A 82 -10.595 -5.345 7.957 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.834 -4.794 7.108 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.188 -5.139 9.805 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.444 -5.128 9.632 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.268 -2.882 8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.519 -2.629 10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.789 -0.404 8.641 1.00 0.00 H new ATOM 1221 N VAL A 83 -7.795 -7.327 6.595 1.00 0.00 N ATOM 1222 CA VAL A 83 -7.367 -8.715 6.464 1.00 0.00 C ATOM 1223 C VAL A 83 -5.904 -8.804 6.050 1.00 0.00 C ATOM 1224 O VAL A 83 -5.228 -7.786 5.904 1.00 0.00 O ATOM 1225 CB VAL A 83 -8.237 -9.445 5.422 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -9.696 -9.446 5.853 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -8.077 -8.784 4.060 1.00 0.00 C ATOM 0 H VAL A 83 -7.824 -6.810 5.716 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.483 -9.191 7.438 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.906 -10.481 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.296 -9.965 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.792 -9.954 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.047 -8.419 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.694 -9.305 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.390 -7.742 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.032 -8.832 3.753 1.00 0.00 H new ATOM 1237 N THR A 84 -5.420 -10.027 5.865 1.00 0.00 N ATOM 1238 CA THR A 84 -4.026 -10.253 5.504 1.00 0.00 C ATOM 1239 C THR A 84 -3.638 -9.448 4.270 1.00 0.00 C ATOM 1240 O THR A 84 -4.197 -9.642 3.190 1.00 0.00 O ATOM 1241 CB THR A 84 -3.752 -11.747 5.254 1.00 0.00 C ATOM 1242 OG1 THR A 84 -4.101 -12.501 6.422 1.00 0.00 O ATOM 1243 CG2 THR A 84 -2.284 -11.973 4.929 1.00 0.00 C ATOM 0 H THR A 84 -5.974 -10.878 5.959 1.00 0.00 H new ATOM 0 HA THR A 84 -3.418 -9.920 6.345 1.00 0.00 H new ATOM 0 HB THR A 84 -4.355 -12.075 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.422 -12.364 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.109 -13.035 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.019 -11.410 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.670 -11.636 5.764 1.00 0.00 H new ATOM 1251 N GLY A 85 -2.680 -8.543 4.435 1.00 0.00 N ATOM 1252 CA GLY A 85 -2.126 -7.798 3.312 1.00 0.00 C ATOM 1253 C GLY A 85 -2.803 -6.442 3.162 1.00 0.00 C ATOM 1254 O GLY A 85 -2.380 -5.612 2.358 1.00 0.00 O ATOM 0 H GLY A 85 -2.270 -8.307 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.055 -7.658 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.250 -8.373 2.394 1.00 0.00 H new ATOM 1258 N ALA A 86 -3.855 -6.222 3.943 1.00 0.00 N ATOM 1259 CA ALA A 86 -4.605 -4.973 3.885 1.00 0.00 C ATOM 1260 C ALA A 86 -3.727 -3.786 4.256 1.00 0.00 C ATOM 1261 O ALA A 86 -3.049 -3.800 5.284 1.00 0.00 O ATOM 1262 CB ALA A 86 -5.818 -5.041 4.801 1.00 0.00 C ATOM 0 H ALA A 86 -4.208 -6.894 4.625 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.945 -4.832 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.368 -4.101 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.466 -5.859 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.490 -5.211 5.827 1.00 0.00 H new ATOM 1268 N MET A 87 -3.743 -2.759 3.413 1.00 0.00 N ATOM 1269 CA MET A 87 -2.957 -1.555 3.658 1.00 0.00 C ATOM 1270 C MET A 87 -3.855 -0.339 3.840 1.00 0.00 C ATOM 1271 O MET A 87 -4.667 -0.019 2.971 1.00 0.00 O ATOM 1272 CB MET A 87 -1.974 -1.325 2.511 1.00 0.00 C ATOM 1273 CG MET A 87 -1.040 -0.140 2.711 1.00 0.00 C ATOM 1274 SD MET A 87 0.106 0.082 1.336 1.00 0.00 S ATOM 1275 CE MET A 87 1.278 -1.232 1.657 1.00 0.00 C ATOM 0 H MET A 87 -4.292 -2.736 2.554 1.00 0.00 H new ATOM 0 HA MET A 87 -2.396 -1.698 4.582 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.375 -2.226 2.376 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.538 -1.176 1.590 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.632 0.767 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.474 -0.280 3.632 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.125 -1.138 0.977 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.630 -1.162 2.686 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.794 -2.197 1.503 1.00 0.00 H new ATOM 1285 N SER A 88 -3.705 0.337 4.973 1.00 0.00 N ATOM 1286 CA SER A 88 -4.576 1.454 5.322 1.00 0.00 C ATOM 1287 C SER A 88 -3.768 2.658 5.788 1.00 0.00 C ATOM 1288 O SER A 88 -2.641 2.516 6.262 1.00 0.00 O ATOM 1289 CB SER A 88 -5.550 1.037 6.407 1.00 0.00 C ATOM 1290 OG SER A 88 -4.877 0.739 7.599 1.00 0.00 O ATOM 0 H SER A 88 -2.987 0.131 5.667 1.00 0.00 H new ATOM 0 HA SER A 88 -5.131 1.740 4.428 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.269 1.837 6.582 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.116 0.166 6.077 1.00 0.00 H new ATOM 0 HG SER A 88 -5.500 0.324 8.232 1.00 0.00 H new ATOM 1296 N MET A 89 -4.352 3.844 5.649 1.00 0.00 N ATOM 1297 CA MET A 89 -3.690 5.076 6.064 1.00 0.00 C ATOM 1298 C MET A 89 -4.105 5.475 7.474 1.00 0.00 C ATOM 1299 O MET A 89 -5.288 5.463 7.811 1.00 0.00 O ATOM 1300 CB MET A 89 -4.003 6.201 5.079 1.00 0.00 C ATOM 1301 CG MET A 89 -3.288 7.512 5.372 1.00 0.00 C ATOM 1302 SD MET A 89 -1.496 7.377 5.216 1.00 0.00 S ATOM 1303 CE MET A 89 -1.321 7.253 3.438 1.00 0.00 C ATOM 0 H MET A 89 -5.282 3.978 5.252 1.00 0.00 H new ATOM 0 HA MET A 89 -2.615 4.898 6.068 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.736 5.872 4.075 1.00 0.00 H new ATOM 0 HB3 MET A 89 -5.078 6.380 5.081 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.651 8.280 4.689 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.537 7.839 6.381 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.278 7.413 3.163 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.635 6.262 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.943 8.009 2.958 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.122 5.827 8.297 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.385 6.261 9.663 1.00 0.00 C ATOM 1315 C ALA A 90 -4.065 7.624 9.687 1.00 0.00 C ATOM 1316 O ALA A 90 -3.786 8.482 8.850 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.093 6.301 10.466 1.00 0.00 C ATOM 0 H ALA A 90 -2.135 5.820 8.040 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.061 5.538 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.307 6.627 11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.648 5.306 10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.397 6.999 10.000 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.959 7.817 10.651 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.682 9.076 10.785 1.00 0.00 C ATOM 1325 C HIS A 91 -6.162 9.287 12.215 1.00 0.00 C ATOM 1326 O HIS A 91 -6.173 8.356 13.021 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.879 9.117 9.828 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.971 8.160 10.190 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.973 8.478 11.083 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.221 6.893 9.782 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.792 7.448 11.207 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.356 6.474 10.428 1.00 0.00 N ATOM 0 H HIS A 91 -5.200 7.116 11.352 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.991 9.879 10.529 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.285 10.128 9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.533 8.895 8.818 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.636 6.319 9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.668 7.409 11.837 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.793 5.558 10.324 1.00 0.00 H new ATOM 1339 N ARG A 92 -6.558 10.516 12.526 1.00 0.00 N ATOM 1340 CA ARG A 92 -7.128 10.831 13.830 1.00 0.00 C ATOM 1341 C ARG A 92 -8.544 11.376 13.696 1.00 0.00 C ATOM 1342 O ARG A 92 -8.937 12.293 14.417 1.00 0.00 O ATOM 1343 CB ARG A 92 -6.264 11.848 14.561 1.00 0.00 C ATOM 1344 CG ARG A 92 -4.858 11.372 14.894 1.00 0.00 C ATOM 1345 CD ARG A 92 -4.091 12.403 15.638 1.00 0.00 C ATOM 1346 NE ARG A 92 -2.742 11.956 15.949 1.00 0.00 N ATOM 1347 CZ ARG A 92 -1.867 12.639 16.712 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -2.212 13.795 17.235 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -0.662 12.146 16.936 1.00 0.00 N ATOM 0 H ARG A 92 -6.494 11.312 11.891 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.161 9.905 14.404 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.192 12.748 13.950 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.765 12.130 15.487 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.914 10.460 15.489 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.331 11.120 13.973 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.043 13.317 15.046 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.614 12.648 16.562 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.437 11.063 15.562 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.143 14.175 17.063 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.549 14.312 17.813 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.395 11.249 16.531 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.001 12.663 17.514 1.00 0.00 H new ATOM 1363 N GLY A 93 -9.306 10.808 12.768 1.00 0.00 N ATOM 1364 CA GLY A 93 -10.654 11.283 12.486 1.00 0.00 C ATOM 1365 C GLY A 93 -10.827 11.606 11.007 1.00 0.00 C ATOM 1366 O GLY A 93 -9.908 11.417 10.210 1.00 0.00 O ATOM 0 H GLY A 93 -9.011 10.016 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.379 10.525 12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.861 12.172 13.082 1.00 0.00 H new ATOM 1370 N ARG A 94 -12.008 12.095 10.648 1.00 0.00 N ATOM 1371 CA ARG A 94 -12.307 12.436 9.261 1.00 0.00 C ATOM 1372 C ARG A 94 -11.509 13.652 8.809 1.00 0.00 C ATOM 1373 O ARG A 94 -11.340 14.610 9.563 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.792 12.713 9.086 1.00 0.00 C ATOM 1375 CG ARG A 94 -14.225 13.004 7.657 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.694 13.191 7.555 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.104 13.545 6.206 1.00 0.00 N ATOM 1378 CZ ARG A 94 -17.378 13.763 5.824 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -18.353 13.659 6.701 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -17.648 14.079 4.571 1.00 0.00 N ATOM 0 H ARG A 94 -12.775 12.265 11.298 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.024 11.582 8.645 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.353 11.853 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.065 13.562 9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.718 13.900 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.917 12.183 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.198 12.274 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.009 13.972 8.247 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.375 13.635 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.144 13.414 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.318 13.824 6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.892 14.158 3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.613 14.244 4.283 1.00 0.00 H new ATOM 1394 N ASP A 95 -11.020 13.608 7.575 1.00 0.00 N ATOM 1395 CA ASP A 95 -10.258 14.717 7.013 1.00 0.00 C ATOM 1396 C ASP A 95 -9.034 15.031 7.863 1.00 0.00 C ATOM 1397 O ASP A 95 -8.639 16.190 7.995 1.00 0.00 O ATOM 1398 CB ASP A 95 -11.136 15.964 6.890 1.00 0.00 C ATOM 1399 CG ASP A 95 -12.274 15.793 5.892 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -12.021 15.324 4.808 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -13.385 16.131 6.225 1.00 0.00 O ATOM 0 H ASP A 95 -11.138 12.815 6.944 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.921 14.417 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.551 16.208 7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.518 16.809 6.587 1.00 0.00 H new ATOM 1406 N THR A 96 -8.437 13.994 8.438 1.00 0.00 N ATOM 1407 CA THR A 96 -7.301 14.164 9.336 1.00 0.00 C ATOM 1408 C THR A 96 -6.362 12.966 9.270 1.00 0.00 C ATOM 1409 O THR A 96 -6.259 12.193 10.222 1.00 0.00 O ATOM 1410 CB THR A 96 -7.768 14.376 10.788 1.00 0.00 C ATOM 1411 OG1 THR A 96 -8.747 15.424 10.830 1.00 0.00 O ATOM 1412 CG2 THR A 96 -6.593 14.750 11.678 1.00 0.00 C ATOM 0 H THR A 96 -8.721 13.024 8.298 1.00 0.00 H new ATOM 0 HA THR A 96 -6.760 15.051 9.007 1.00 0.00 H new ATOM 0 HB THR A 96 -8.204 13.446 11.152 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.603 15.086 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.943 14.896 12.700 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.853 13.950 11.658 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.140 15.672 11.314 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.679 12.818 8.140 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.804 11.673 7.919 1.00 0.00 C ATOM 1422 C GLY A 97 -3.338 12.063 8.066 1.00 0.00 C ATOM 1423 O GLY A 97 -2.989 13.241 7.997 1.00 0.00 O ATOM 0 H GLY A 97 -5.715 13.477 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.046 10.884 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.977 11.267 6.922 1.00 0.00 H new ATOM 1427 N SER A 98 -2.484 11.066 8.268 1.00 0.00 N ATOM 1428 CA SER A 98 -1.054 11.303 8.432 1.00 0.00 C ATOM 1429 C SER A 98 -0.253 10.630 7.325 1.00 0.00 C ATOM 1430 O SER A 98 -0.820 10.094 6.373 1.00 0.00 O ATOM 1431 CB SER A 98 -0.592 10.795 9.784 1.00 0.00 C ATOM 1432 OG SER A 98 -0.524 9.395 9.797 1.00 0.00 O ATOM 0 H SER A 98 -2.757 10.085 8.322 1.00 0.00 H new ATOM 0 HA SER A 98 -0.883 12.378 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.387 11.213 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.278 11.137 10.559 1.00 0.00 H new ATOM 0 HG SER A 98 -0.379 9.083 10.715 1.00 0.00 H new ATOM 1438 N CYS A 99 1.068 10.661 7.455 1.00 0.00 N ATOM 1439 CA CYS A 99 1.948 9.986 6.509 1.00 0.00 C ATOM 1440 C CYS A 99 2.241 8.558 6.953 1.00 0.00 C ATOM 1441 O CYS A 99 2.960 7.823 6.276 1.00 0.00 O ATOM 1442 CB CYS A 99 3.266 10.747 6.360 1.00 0.00 C ATOM 1443 SG CYS A 99 4.207 10.902 7.897 1.00 0.00 S ATOM 0 H CYS A 99 1.554 11.148 8.208 1.00 0.00 H new ATOM 0 HA CYS A 99 1.434 9.959 5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.884 10.241 5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.056 11.744 5.973 1.00 0.00 H new ATOM 0 HG CYS A 99 4.407 9.722 8.404 1.00 0.00 H new ATOM 1449 N GLN A 100 1.678 8.171 8.093 1.00 0.00 N ATOM 1450 CA GLN A 100 1.850 6.818 8.610 1.00 0.00 C ATOM 1451 C GLN A 100 0.762 5.888 8.090 1.00 0.00 C ATOM 1452 O GLN A 100 -0.361 6.317 7.822 1.00 0.00 O ATOM 1453 CB GLN A 100 1.842 6.826 10.141 1.00 0.00 C ATOM 1454 CG GLN A 100 2.987 7.606 10.766 1.00 0.00 C ATOM 1455 CD GLN A 100 2.847 7.735 12.270 1.00 0.00 C ATOM 1456 OE1 GLN A 100 2.023 8.508 12.766 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.651 6.975 13.006 1.00 0.00 N ATOM 0 H GLN A 100 1.099 8.775 8.676 1.00 0.00 H new ATOM 0 HA GLN A 100 2.814 6.447 8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.898 7.249 10.486 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.880 5.797 10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.930 7.111 10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.031 8.600 10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.318 6.350 12.553 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.601 7.017 14.024 1.00 0.00 H new ATOM 1466 N PHE A 101 1.100 4.611 7.948 1.00 0.00 N ATOM 1467 CA PHE A 101 0.184 3.634 7.371 1.00 0.00 C ATOM 1468 C PHE A 101 0.309 2.284 8.066 1.00 0.00 C ATOM 1469 O PHE A 101 1.321 1.995 8.704 1.00 0.00 O ATOM 1470 CB PHE A 101 0.452 3.469 5.874 1.00 0.00 C ATOM 1471 CG PHE A 101 1.788 2.858 5.561 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.929 3.643 5.498 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.907 1.496 5.330 1.00 0.00 C ATOM 1474 CE1 PHE A 101 4.158 3.084 5.210 1.00 0.00 C ATOM 1475 CE2 PHE A 101 3.136 0.933 5.042 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.262 1.726 4.982 1.00 0.00 C ATOM 0 H PHE A 101 2.004 4.228 8.225 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.830 4.005 7.516 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.332 2.848 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.388 4.445 5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.855 4.706 5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.030 0.868 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.038 3.709 5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.214 -0.129 4.864 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.223 1.287 4.757 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.727 1.463 7.939 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.735 0.140 8.553 1.00 0.00 C ATOM 1488 C PHE A 102 -0.677 -0.958 7.498 1.00 0.00 C ATOM 1489 O PHE A 102 -1.245 -0.822 6.415 1.00 0.00 O ATOM 1490 CB PHE A 102 -1.985 -0.042 9.417 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.031 0.863 10.614 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.544 2.147 10.512 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -1.560 0.433 11.845 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -2.587 2.981 11.614 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -1.603 1.263 12.949 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.117 2.539 12.832 1.00 0.00 C ATOM 0 H PHE A 102 -1.573 1.690 7.416 1.00 0.00 H new ATOM 0 HA PHE A 102 0.152 0.063 9.182 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.868 0.137 8.804 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.035 -1.077 9.754 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.914 2.500 9.561 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.154 -0.563 11.942 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.989 3.979 11.520 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.235 0.914 13.902 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.151 3.190 13.693 1.00 0.00 H new ATOM 1506 N ILE A 103 0.014 -2.046 7.822 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.105 -3.283 7.059 1.00 0.00 C ATOM 1508 C ILE A 103 -0.601 -4.426 7.935 1.00 0.00 C ATOM 1509 O ILE A 103 0.081 -4.843 8.871 1.00 0.00 O ATOM 1510 CB ILE A 103 1.245 -3.669 6.426 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.706 -2.585 5.448 1.00 0.00 C ATOM 1512 CG2 ILE A 103 1.137 -5.013 5.722 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.037 -2.878 4.794 1.00 0.00 C ATOM 0 H ILE A 103 0.662 -2.096 8.608 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.833 -3.107 6.267 1.00 0.00 H new ATOM 0 HB ILE A 103 1.988 -3.755 7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.950 -2.463 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.774 -1.635 5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.100 -5.271 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.852 -5.779 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.382 -4.953 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.296 -2.065 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.807 -2.970 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.970 -3.811 4.234 1.00 0.00 H new ATOM 1525 N VAL A 104 -1.791 -4.928 7.626 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.430 -5.948 8.450 1.00 0.00 C ATOM 1527 C VAL A 104 -1.891 -7.334 8.127 1.00 0.00 C ATOM 1528 O VAL A 104 -1.664 -7.668 6.964 1.00 0.00 O ATOM 1529 CB VAL A 104 -3.955 -5.929 8.236 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -4.621 -7.024 9.055 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.514 -4.564 8.605 1.00 0.00 C ATOM 0 H VAL A 104 -2.334 -4.645 6.810 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.205 -5.721 9.492 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.166 -6.118 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.698 -6.996 8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.233 -7.995 8.748 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.410 -6.867 10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.593 -4.559 8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.296 -4.352 9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.054 -3.801 7.977 1.00 0.00 H new ATOM 1541 N HIS A 105 -1.688 -8.141 9.163 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.112 -9.471 8.998 1.00 0.00 C ATOM 1543 C HIS A 105 -2.196 -10.540 8.970 1.00 0.00 C ATOM 1544 O HIS A 105 -2.127 -11.487 8.185 1.00 0.00 O ATOM 1545 CB HIS A 105 -0.117 -9.773 10.123 1.00 0.00 C ATOM 1546 CG HIS A 105 1.013 -8.796 10.206 1.00 0.00 C ATOM 1547 ND1 HIS A 105 1.925 -8.798 11.241 1.00 0.00 N ATOM 1548 CD2 HIS A 105 1.380 -7.785 9.383 1.00 0.00 C ATOM 1549 CE1 HIS A 105 2.804 -7.829 11.050 1.00 0.00 C ATOM 1550 NE2 HIS A 105 2.495 -7.201 9.932 1.00 0.00 N ATOM 0 H HIS A 105 -1.914 -7.897 10.127 1.00 0.00 H new ATOM 0 HA HIS A 105 -0.586 -9.485 8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -0.649 -9.781 11.074 1.00 0.00 H new ATOM 0 HB3 HIS A 105 0.290 -10.774 9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.888 -7.493 8.467 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.634 -7.592 11.699 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.003 -6.409 9.538 1.00 0.00 H new ATOM 1557 N GLU A 106 -3.197 -10.384 9.829 1.00 0.00 N ATOM 1558 CA GLU A 106 -4.303 -11.332 9.897 1.00 0.00 C ATOM 1559 C GLU A 106 -5.641 -10.611 10.004 1.00 0.00 C ATOM 1560 O GLU A 106 -5.712 -9.483 10.491 1.00 0.00 O ATOM 1561 CB GLU A 106 -4.124 -12.275 11.090 1.00 0.00 C ATOM 1562 CG GLU A 106 -2.905 -13.181 10.997 1.00 0.00 C ATOM 1563 CD GLU A 106 -2.800 -14.140 12.151 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -3.642 -14.095 13.014 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -1.875 -14.918 12.168 1.00 0.00 O ATOM 0 H GLU A 106 -3.265 -9.609 10.489 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.300 -11.914 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.051 -11.680 12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.016 -12.895 11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.948 -13.745 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.005 -12.568 10.958 1.00 0.00 H new ATOM 1572 N PRO A 107 -6.699 -11.270 9.545 1.00 0.00 N ATOM 1573 CA PRO A 107 -8.045 -10.717 9.637 1.00 0.00 C ATOM 1574 C PRO A 107 -8.370 -10.294 11.065 1.00 0.00 C ATOM 1575 O PRO A 107 -8.320 -11.107 11.990 1.00 0.00 O ATOM 1576 CB PRO A 107 -8.929 -11.880 9.179 1.00 0.00 C ATOM 1577 CG PRO A 107 -8.060 -12.654 8.247 1.00 0.00 C ATOM 1578 CD PRO A 107 -6.692 -12.591 8.872 1.00 0.00 C ATOM 0 HA PRO A 107 -8.183 -9.818 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.252 -12.491 10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.830 -11.523 8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.404 -13.683 8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.061 -12.218 7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -6.533 -13.405 9.580 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -5.902 -12.660 8.124 1.00 0.00 H new ATOM 1586 N GLN A 108 -8.701 -9.019 11.239 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.163 -8.516 12.527 1.00 0.00 C ATOM 1588 C GLN A 108 -10.502 -7.802 12.391 1.00 0.00 C ATOM 1589 O GLN A 108 -10.553 -6.610 12.089 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.126 -7.571 13.137 1.00 0.00 C ATOM 1591 CG GLN A 108 -6.774 -8.214 13.397 1.00 0.00 C ATOM 1592 CD GLN A 108 -6.858 -9.356 14.391 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -7.551 -9.262 15.409 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -6.153 -10.444 14.104 1.00 0.00 N ATOM 0 H GLN A 108 -8.658 -8.314 10.503 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.297 -9.371 13.189 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -7.989 -6.720 12.469 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.516 -7.179 14.076 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.364 -8.584 12.457 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.082 -7.460 13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.594 -10.479 13.252 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.171 -11.245 14.736 1.00 0.00 H new ATOM 1603 N PRO A 109 -11.585 -8.538 12.618 1.00 0.00 N ATOM 1604 CA PRO A 109 -12.928 -8.004 12.425 1.00 0.00 C ATOM 1605 C PRO A 109 -13.141 -6.739 13.247 1.00 0.00 C ATOM 1606 O PRO A 109 -13.869 -5.836 12.836 1.00 0.00 O ATOM 1607 CB PRO A 109 -13.826 -9.147 12.908 1.00 0.00 C ATOM 1608 CG PRO A 109 -13.037 -10.379 12.617 1.00 0.00 C ATOM 1609 CD PRO A 109 -11.615 -9.993 12.922 1.00 0.00 C ATOM 0 HA PRO A 109 -13.131 -7.710 11.395 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.047 -9.058 13.972 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -14.781 -9.152 12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.363 -11.215 13.235 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.151 -10.688 11.578 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.358 -10.192 13.962 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.906 -10.548 12.307 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.500 -6.679 14.410 1.00 0.00 N ATOM 1618 CA HIS A 110 -12.724 -5.590 15.353 1.00 0.00 C ATOM 1619 C HIS A 110 -11.961 -4.339 14.938 1.00 0.00 C ATOM 1620 O HIS A 110 -12.163 -3.263 15.502 1.00 0.00 O ATOM 1621 CB HIS A 110 -12.306 -6.005 16.768 1.00 0.00 C ATOM 1622 CG HIS A 110 -10.865 -6.396 16.879 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -9.899 -5.540 17.367 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -10.226 -7.547 16.565 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -8.727 -6.152 17.349 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -8.898 -7.368 16.867 1.00 0.00 N ATOM 0 H HIS A 110 -11.821 -7.373 14.722 1.00 0.00 H new ATOM 0 HA HIS A 110 -13.790 -5.364 15.349 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -12.503 -5.180 17.452 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.926 -6.841 17.090 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -10.676 -8.439 16.154 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -7.788 -5.728 17.674 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.163 -8.063 16.739 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.086 -4.485 13.950 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.333 -3.355 13.420 1.00 0.00 C ATOM 1635 C LEU A 111 -10.913 -2.878 12.095 1.00 0.00 C ATOM 1636 O LEU A 111 -10.442 -1.900 11.516 1.00 0.00 O ATOM 1637 CB LEU A 111 -8.860 -3.741 13.232 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.096 -4.097 14.513 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.653 -4.439 14.166 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -8.162 -2.929 15.485 1.00 0.00 C ATOM 0 H LEU A 111 -10.880 -5.377 13.499 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.405 -2.539 14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.811 -4.592 12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.346 -2.913 12.743 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.551 -4.966 14.988 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.110 -4.692 15.077 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.634 -5.289 13.484 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.180 -3.581 13.688 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.619 -3.182 16.396 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.712 -2.048 15.027 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.203 -2.718 15.730 1.00 0.00 H new ATOM 1652 N ASP A 112 -11.939 -3.576 11.620 1.00 0.00 N ATOM 1653 CA ASP A 112 -12.575 -3.235 10.352 1.00 0.00 C ATOM 1654 C ASP A 112 -13.258 -1.876 10.426 1.00 0.00 C ATOM 1655 O ASP A 112 -13.969 -1.580 11.386 1.00 0.00 O ATOM 1656 CB ASP A 112 -13.597 -4.306 9.960 1.00 0.00 C ATOM 1657 CG ASP A 112 -12.949 -5.607 9.508 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -11.747 -5.636 9.380 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -13.661 -6.558 9.292 1.00 0.00 O ATOM 0 H ASP A 112 -12.348 -4.381 12.094 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.795 -3.188 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.249 -4.507 10.810 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.228 -3.923 9.158 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.036 -1.052 9.409 1.00 0.00 N ATOM 1665 CA GLY A 113 -13.725 0.228 9.295 1.00 0.00 C ATOM 1666 C GLY A 113 -13.075 1.283 10.181 1.00 0.00 C ATOM 1667 O GLY A 113 -13.570 2.405 10.291 1.00 0.00 O ATOM 0 H GLY A 113 -12.383 -1.248 8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.710 0.561 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -14.771 0.107 9.576 1.00 0.00 H new ATOM 1671 N VAL A 114 -11.963 0.917 10.811 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.264 1.820 11.717 1.00 0.00 C ATOM 1673 C VAL A 114 -10.369 2.784 10.952 1.00 0.00 C ATOM 1674 O VAL A 114 -10.412 3.995 11.173 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.412 1.016 12.718 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.534 1.949 13.540 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.314 0.190 13.621 1.00 0.00 C ATOM 0 H VAL A 114 -11.527 0.000 10.710 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.015 2.397 12.256 1.00 0.00 H new ATOM 0 HB VAL A 114 -9.761 0.340 12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -8.939 1.364 14.242 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.871 2.504 12.876 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.163 2.648 14.092 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -10.704 -0.375 14.326 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -11.984 0.852 14.170 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -11.902 -0.500 13.015 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.556 2.242 10.050 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.649 3.055 9.249 1.00 0.00 C ATOM 1689 C HIS A 115 -9.079 3.081 7.788 1.00 0.00 C ATOM 1690 O HIS A 115 -9.962 2.328 7.376 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.215 2.529 9.355 1.00 0.00 C ATOM 1692 CG HIS A 115 -6.655 2.583 10.743 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.320 3.768 11.364 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.372 1.599 11.628 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -5.854 3.510 12.574 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -5.875 2.203 12.759 1.00 0.00 N ATOM 0 H HIS A 115 -9.507 1.242 9.856 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.686 4.072 9.640 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.189 1.498 9.002 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.574 3.110 8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.510 0.539 11.475 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.514 4.244 13.290 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.572 1.719 13.604 1.00 0.00 H new ATOM 1703 N THR A 116 -8.451 3.954 7.007 1.00 0.00 N ATOM 1704 CA THR A 116 -8.808 4.123 5.603 1.00 0.00 C ATOM 1705 C THR A 116 -8.005 3.182 4.714 1.00 0.00 C ATOM 1706 O THR A 116 -6.850 3.457 4.387 1.00 0.00 O ATOM 1707 CB THR A 116 -8.592 5.577 5.147 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.399 6.455 5.942 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.967 5.738 3.682 1.00 0.00 C ATOM 0 H THR A 116 -7.691 4.556 7.323 1.00 0.00 H new ATOM 0 HA THR A 116 -9.866 3.878 5.507 1.00 0.00 H new ATOM 0 HB THR A 116 -7.539 5.828 5.272 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.259 7.380 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.808 6.772 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.346 5.081 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.016 5.477 3.544 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.621 2.071 4.327 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.954 1.072 3.502 1.00 0.00 C ATOM 1719 C VAL A 117 -7.907 1.503 2.042 1.00 0.00 C ATOM 1720 O VAL A 117 -8.926 1.882 1.464 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.679 -0.283 3.612 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -8.034 -1.308 2.692 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.662 -0.764 5.054 1.00 0.00 C ATOM 0 H VAL A 117 -9.584 1.839 4.572 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.932 0.971 3.868 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.716 -0.156 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.559 -2.259 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.091 -0.959 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.989 -1.442 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.176 -1.722 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.631 -0.881 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.167 -0.034 5.687 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.719 1.444 1.450 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.500 1.988 0.115 1.00 0.00 C ATOM 1735 C PHE A 118 -5.625 1.063 -0.720 1.00 0.00 C ATOM 1736 O PHE A 118 -5.528 1.216 -1.938 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.851 3.371 0.202 1.00 0.00 C ATOM 1738 CG PHE A 118 -4.429 3.344 0.688 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -4.145 3.353 2.045 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -3.374 3.307 -0.211 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.838 3.329 2.494 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -2.067 3.281 0.235 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.798 3.293 1.587 1.00 0.00 C ATOM 0 H PHE A 118 -5.892 1.024 1.874 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.472 2.076 -0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.880 3.838 -0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -6.442 3.998 0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.954 3.379 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.576 3.298 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.631 3.338 3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -1.255 3.251 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.776 3.274 1.936 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.989 0.101 -0.060 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.054 -0.796 -0.725 1.00 0.00 C ATOM 1755 C GLY A 119 -4.268 -2.240 -0.287 1.00 0.00 C ATOM 1756 O GLY A 119 -4.781 -2.499 0.802 1.00 0.00 O ATOM 0 H GLY A 119 -5.105 -0.077 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.178 -0.719 -1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.032 -0.493 -0.499 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.874 -3.177 -1.142 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.897 -4.592 -0.792 1.00 0.00 C ATOM 1762 C GLN A 120 -2.664 -5.312 -1.322 1.00 0.00 C ATOM 1763 O GLN A 120 -2.411 -5.326 -2.528 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.164 -5.257 -1.335 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.173 -6.772 -1.213 1.00 0.00 C ATOM 1766 CD GLN A 120 -5.243 -7.235 0.230 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -6.096 -6.787 1.000 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -4.342 -8.137 0.604 1.00 0.00 N ATOM 0 H GLN A 120 -3.534 -2.982 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.894 -4.665 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -6.027 -4.856 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.281 -4.987 -2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -6.025 -7.173 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -4.274 -7.177 -1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -3.655 -8.480 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -4.338 -8.487 1.562 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.898 -5.909 -0.416 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.763 -6.741 -0.800 1.00 0.00 C ATOM 1779 C VAL A 121 -1.217 -7.954 -1.603 1.00 0.00 C ATOM 1780 O VAL A 121 -2.182 -8.626 -1.239 1.00 0.00 O ATOM 1781 CB VAL A 121 0.000 -7.214 0.452 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.071 -8.226 0.072 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.615 -6.020 1.166 1.00 0.00 C ATOM 0 H VAL A 121 -2.042 -5.832 0.591 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.104 -6.136 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.700 -7.702 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.600 -8.550 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.604 -9.088 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.777 -7.766 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.153 -6.362 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.307 -5.511 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.173 -5.330 1.466 1.00 0.00 H new ATOM 1793 N THR A 122 -0.515 -8.228 -2.697 1.00 0.00 N ATOM 1794 CA THR A 122 -0.885 -9.319 -3.591 1.00 0.00 C ATOM 1795 C THR A 122 0.196 -10.393 -3.628 1.00 0.00 C ATOM 1796 O THR A 122 -0.070 -11.541 -3.982 1.00 0.00 O ATOM 1797 CB THR A 122 -1.150 -8.801 -5.016 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.051 -8.227 -5.549 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.248 -7.750 -5.007 1.00 0.00 C ATOM 0 H THR A 122 0.314 -7.709 -2.986 1.00 0.00 H new ATOM 0 HA THR A 122 -1.802 -9.760 -3.200 1.00 0.00 H new ATOM 0 HB THR A 122 -1.469 -9.638 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.118 -7.899 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.421 -7.396 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.166 -8.186 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.945 -6.913 -4.378 1.00 0.00 H new ATOM 1807 N SER A 123 1.413 -10.011 -3.261 1.00 0.00 N ATOM 1808 CA SER A 123 2.530 -10.948 -3.219 1.00 0.00 C ATOM 1809 C SER A 123 3.522 -10.576 -2.124 1.00 0.00 C ATOM 1810 O SER A 123 3.810 -9.398 -1.910 1.00 0.00 O ATOM 1811 CB SER A 123 3.234 -10.980 -4.562 1.00 0.00 C ATOM 1812 OG SER A 123 4.323 -11.862 -4.537 1.00 0.00 O ATOM 0 H SER A 123 1.652 -9.058 -2.988 1.00 0.00 H new ATOM 0 HA SER A 123 2.131 -11.937 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.532 -11.285 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.578 -9.979 -4.820 1.00 0.00 H new ATOM 0 HG SER A 123 4.760 -11.867 -5.414 1.00 0.00 H new ATOM 1818 N GLY A 124 4.040 -11.587 -1.435 1.00 0.00 N ATOM 1819 CA GLY A 124 4.866 -11.364 -0.254 1.00 0.00 C ATOM 1820 C GLY A 124 4.022 -11.345 1.014 1.00 0.00 C ATOM 1821 O GLY A 124 4.433 -10.796 2.036 1.00 0.00 O ATOM 0 H GLY A 124 3.902 -12.569 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.619 -12.148 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.399 -10.418 -0.353 1.00 0.00 H new ATOM 1825 N MET A 125 2.839 -11.946 0.940 1.00 0.00 N ATOM 1826 CA MET A 125 1.931 -11.992 2.079 1.00 0.00 C ATOM 1827 C MET A 125 2.526 -12.799 3.226 1.00 0.00 C ATOM 1828 O MET A 125 2.192 -12.581 4.390 1.00 0.00 O ATOM 1829 CB MET A 125 0.585 -12.578 1.658 1.00 0.00 C ATOM 1830 CG MET A 125 -0.209 -11.703 0.697 1.00 0.00 C ATOM 1831 SD MET A 125 -1.673 -12.535 0.047 1.00 0.00 S ATOM 1832 CE MET A 125 -2.713 -12.574 1.504 1.00 0.00 C ATOM 0 H MET A 125 2.487 -12.408 0.102 1.00 0.00 H new ATOM 0 HA MET A 125 1.778 -10.972 2.431 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.755 -13.548 1.191 1.00 0.00 H new ATOM 0 HB3 MET A 125 -0.016 -12.755 2.550 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.512 -10.790 1.209 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.433 -11.405 -0.132 1.00 0.00 H new ATOM 0 HE1 MET A 125 -3.685 -12.995 1.246 1.00 0.00 H new ATOM 0 HE2 MET A 125 -2.242 -13.190 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 125 -2.846 -11.561 1.883 1.00 0.00 H new ATOM 1842 N ASP A 126 3.410 -13.732 2.889 1.00 0.00 N ATOM 1843 CA ASP A 126 4.169 -14.468 3.894 1.00 0.00 C ATOM 1844 C ASP A 126 5.106 -13.543 4.661 1.00 0.00 C ATOM 1845 O ASP A 126 5.246 -13.657 5.879 1.00 0.00 O ATOM 1846 CB ASP A 126 4.974 -15.594 3.241 1.00 0.00 C ATOM 1847 CG ASP A 126 4.105 -16.760 2.793 1.00 0.00 C ATOM 1848 OD1 ASP A 126 2.968 -16.820 3.200 1.00 0.00 O ATOM 1849 OD2 ASP A 126 4.585 -17.581 2.048 1.00 0.00 O ATOM 0 H ASP A 126 3.619 -13.997 1.926 1.00 0.00 H new ATOM 0 HA ASP A 126 3.456 -14.900 4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 126 5.512 -15.197 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 126 5.722 -15.955 3.946 1.00 0.00 H new ATOM 1854 N VAL A 127 5.745 -12.628 3.941 1.00 0.00 N ATOM 1855 CA VAL A 127 6.585 -11.612 4.565 1.00 0.00 C ATOM 1856 C VAL A 127 5.761 -10.677 5.440 1.00 0.00 C ATOM 1857 O VAL A 127 6.187 -10.294 6.530 1.00 0.00 O ATOM 1858 CB VAL A 127 7.318 -10.790 3.489 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.063 -9.625 4.123 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.277 -11.685 2.717 1.00 0.00 C ATOM 0 H VAL A 127 5.697 -12.569 2.924 1.00 0.00 H new ATOM 0 HA VAL A 127 7.314 -12.125 5.193 1.00 0.00 H new ATOM 0 HB VAL A 127 6.583 -10.383 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.575 -9.055 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 127 7.354 -8.978 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 127 8.794 -10.006 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.792 -11.097 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.008 -12.112 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.718 -12.488 2.237 1.00 0.00 H new ATOM 1870 N VAL A 128 4.578 -10.312 4.956 1.00 0.00 N ATOM 1871 CA VAL A 128 3.639 -9.522 5.743 1.00 0.00 C ATOM 1872 C VAL A 128 3.352 -10.184 7.085 1.00 0.00 C ATOM 1873 O VAL A 128 3.456 -9.551 8.135 1.00 0.00 O ATOM 1874 CB VAL A 128 2.318 -9.338 4.972 1.00 0.00 C ATOM 1875 CG1 VAL A 128 1.255 -8.731 5.875 1.00 0.00 C ATOM 1876 CG2 VAL A 128 2.550 -8.464 3.750 1.00 0.00 C ATOM 0 H VAL A 128 4.247 -10.551 4.021 1.00 0.00 H new ATOM 0 HA VAL A 128 4.095 -8.549 5.924 1.00 0.00 H new ATOM 0 HB VAL A 128 1.963 -10.314 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.328 -8.608 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.080 -9.390 6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.594 -7.759 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.612 -8.338 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.921 -7.489 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.284 -8.938 3.098 1.00 0.00 H new ATOM 1886 N ARG A 129 2.990 -11.463 7.043 1.00 0.00 N ATOM 1887 CA ARG A 129 2.719 -12.222 8.256 1.00 0.00 C ATOM 1888 C ARG A 129 3.856 -12.081 9.260 1.00 0.00 C ATOM 1889 O ARG A 129 3.628 -11.787 10.434 1.00 0.00 O ATOM 1890 CB ARG A 129 2.513 -13.694 7.932 1.00 0.00 C ATOM 1891 CG ARG A 129 2.126 -14.563 9.119 1.00 0.00 C ATOM 1892 CD ARG A 129 1.968 -15.988 8.729 1.00 0.00 C ATOM 1893 NE ARG A 129 0.889 -16.170 7.769 1.00 0.00 N ATOM 1894 CZ ARG A 129 1.066 -16.475 6.469 1.00 0.00 C ATOM 1895 NH1 ARG A 129 2.280 -16.628 5.989 1.00 0.00 N ATOM 1896 NH2 ARG A 129 0.018 -16.620 5.677 1.00 0.00 N ATOM 0 H ARG A 129 2.878 -11.995 6.180 1.00 0.00 H new ATOM 0 HA ARG A 129 1.808 -11.818 8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.738 -13.778 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.432 -14.087 7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.888 -14.480 9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.193 -14.198 9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.901 -16.353 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.769 -16.588 9.617 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.068 -16.059 8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.088 -16.516 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.414 -16.859 5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.924 -16.501 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.151 -16.851 4.692 1.00 0.00 H new ATOM 1910 N THR A 130 5.081 -12.293 8.792 1.00 0.00 N ATOM 1911 CA THR A 130 6.243 -12.322 9.672 1.00 0.00 C ATOM 1912 C THR A 130 7.159 -11.132 9.415 1.00 0.00 C ATOM 1913 O THR A 130 8.365 -11.294 9.227 1.00 0.00 O ATOM 1914 CB THR A 130 7.036 -13.631 9.501 1.00 0.00 C ATOM 1915 OG1 THR A 130 7.442 -13.772 8.134 1.00 0.00 O ATOM 1916 CG2 THR A 130 6.184 -14.827 9.899 1.00 0.00 C ATOM 0 H THR A 130 5.295 -12.447 7.807 1.00 0.00 H new ATOM 0 HA THR A 130 5.873 -12.265 10.696 1.00 0.00 H new ATOM 0 HB THR A 130 7.914 -13.593 10.146 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.948 -14.605 8.027 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.761 -15.743 9.772 1.00 0.00 H new ATOM 0 HG22 THR A 130 5.884 -14.729 10.942 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.296 -14.867 9.268 1.00 0.00 H new ATOM 1924 N MET A 131 6.580 -9.937 9.408 1.00 0.00 N ATOM 1925 CA MET A 131 7.358 -8.708 9.308 1.00 0.00 C ATOM 1926 C MET A 131 8.242 -8.516 10.534 1.00 0.00 C ATOM 1927 O MET A 131 7.875 -8.902 11.644 1.00 0.00 O ATOM 1928 CB MET A 131 6.431 -7.509 9.127 1.00 0.00 C ATOM 1929 CG MET A 131 5.802 -7.402 7.745 1.00 0.00 C ATOM 1930 SD MET A 131 4.547 -6.109 7.651 1.00 0.00 S ATOM 1931 CE MET A 131 5.557 -4.643 7.833 1.00 0.00 C ATOM 0 H MET A 131 5.572 -9.793 9.471 1.00 0.00 H new ATOM 0 HA MET A 131 8.006 -8.787 8.435 1.00 0.00 H new ATOM 0 HB2 MET A 131 5.636 -7.564 9.871 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.993 -6.597 9.328 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.581 -7.201 7.010 1.00 0.00 H new ATOM 0 HG3 MET A 131 5.353 -8.359 7.479 1.00 0.00 H new ATOM 0 HE1 MET A 131 5.323 -4.155 8.779 1.00 0.00 H new ATOM 0 HE2 MET A 131 6.610 -4.923 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.354 -3.957 7.011 1.00 0.00 H new ATOM 1941 N LYS A 132 9.411 -7.919 10.326 1.00 0.00 N ATOM 1942 CA LYS A 132 10.330 -7.633 11.421 1.00 0.00 C ATOM 1943 C LYS A 132 10.086 -6.243 11.997 1.00 0.00 C ATOM 1944 O LYS A 132 9.949 -5.269 11.257 1.00 0.00 O ATOM 1945 CB LYS A 132 11.780 -7.759 10.951 1.00 0.00 C ATOM 1946 CG LYS A 132 12.816 -7.328 11.980 1.00 0.00 C ATOM 1947 CD LYS A 132 14.230 -7.480 11.439 1.00 0.00 C ATOM 1948 CE LYS A 132 15.263 -6.999 12.446 1.00 0.00 C ATOM 1949 NZ LYS A 132 16.653 -7.162 11.939 1.00 0.00 N ATOM 0 H LYS A 132 9.744 -7.624 9.408 1.00 0.00 H new ATOM 0 HA LYS A 132 10.148 -8.365 12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 132 11.970 -8.796 10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.910 -7.160 10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.642 -6.289 12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.704 -7.926 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.417 -8.526 11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.330 -6.913 10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.082 -5.949 12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.149 -7.555 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 17.326 -6.822 12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 16.835 -8.167 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 16.771 -6.611 11.065 1.00 0.00 H new ATOM 1963 N ASN A 133 10.032 -6.159 13.322 1.00 0.00 N ATOM 1964 CA ASN A 133 9.848 -4.883 14.002 1.00 0.00 C ATOM 1965 C ASN A 133 11.050 -3.970 13.794 1.00 0.00 C ATOM 1966 O ASN A 133 12.178 -4.326 14.135 1.00 0.00 O ATOM 1967 CB ASN A 133 9.590 -5.097 15.481 1.00 0.00 C ATOM 1968 CG ASN A 133 9.096 -3.855 16.169 1.00 0.00 C ATOM 1969 OD1 ASN A 133 8.525 -2.963 15.530 1.00 0.00 O ATOM 1970 ND2 ASN A 133 9.302 -3.779 17.459 1.00 0.00 N ATOM 0 H ASN A 133 10.113 -6.961 13.947 1.00 0.00 H new ATOM 0 HA ASN A 133 8.976 -4.395 13.566 1.00 0.00 H new ATOM 0 HB2 ASN A 133 8.856 -5.893 15.606 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.509 -5.432 15.961 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.987 -2.960 17.978 1.00 0.00 H new ATOM 0 HD22 ASN A 133 9.778 -4.539 17.945 1.00 0.00 H new ATOM 1977 N GLY A 134 10.802 -2.792 13.232 1.00 0.00 N ATOM 1978 CA GLY A 134 11.865 -1.828 12.972 1.00 0.00 C ATOM 1979 C GLY A 134 12.547 -2.106 11.639 1.00 0.00 C ATOM 1980 O GLY A 134 13.586 -1.524 11.329 1.00 0.00 O ATOM 0 H GLY A 134 9.873 -2.481 12.947 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.452 -0.819 12.969 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.601 -1.869 13.775 1.00 0.00 H new ATOM 1984 N ASP A 135 11.955 -2.998 10.852 1.00 0.00 N ATOM 1985 CA ASP A 135 12.479 -3.320 9.530 1.00 0.00 C ATOM 1986 C ASP A 135 12.550 -2.080 8.649 1.00 0.00 C ATOM 1987 O ASP A 135 11.618 -1.278 8.612 1.00 0.00 O ATOM 1988 CB ASP A 135 11.611 -4.385 8.855 1.00 0.00 C ATOM 1989 CG ASP A 135 12.214 -4.905 7.556 1.00 0.00 C ATOM 1990 OD1 ASP A 135 12.312 -4.144 6.623 1.00 0.00 O ATOM 1991 OD2 ASP A 135 12.571 -6.058 7.511 1.00 0.00 O ATOM 0 H ASP A 135 11.111 -3.511 11.107 1.00 0.00 H new ATOM 0 HA ASP A 135 13.489 -3.710 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.467 -5.219 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.625 -3.967 8.650 1.00 0.00 H new ATOM 1996 N VAL A 136 13.664 -1.929 7.939 1.00 0.00 N ATOM 1997 CA VAL A 136 13.899 -0.741 7.126 1.00 0.00 C ATOM 1998 C VAL A 136 13.387 -0.936 5.705 1.00 0.00 C ATOM 1999 O VAL A 136 13.703 -1.931 5.053 1.00 0.00 O ATOM 2000 CB VAL A 136 15.402 -0.410 7.087 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.649 0.847 6.265 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.933 -0.242 8.502 1.00 0.00 C ATOM 0 H VAL A 136 14.418 -2.615 7.910 1.00 0.00 H new ATOM 0 HA VAL A 136 13.355 0.086 7.582 1.00 0.00 H new ATOM 0 HB VAL A 136 15.933 -1.235 6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.717 1.067 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.294 0.691 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.113 1.685 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.997 -0.008 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.400 0.570 8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.784 -1.167 9.059 1.00 0.00 H new ATOM 2012 N MET A 137 12.594 0.019 5.230 1.00 0.00 N ATOM 2013 CA MET A 137 12.095 -0.010 3.861 1.00 0.00 C ATOM 2014 C MET A 137 13.142 0.505 2.882 1.00 0.00 C ATOM 2015 O MET A 137 13.321 1.714 2.730 1.00 0.00 O ATOM 2016 CB MET A 137 10.811 0.810 3.751 1.00 0.00 C ATOM 2017 CG MET A 137 9.650 0.276 4.578 1.00 0.00 C ATOM 2018 SD MET A 137 8.117 1.182 4.290 1.00 0.00 S ATOM 2019 CE MET A 137 8.401 2.650 5.274 1.00 0.00 C ATOM 0 H MET A 137 12.283 0.824 5.774 1.00 0.00 H new ATOM 0 HA MET A 137 11.876 -1.046 3.601 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.021 1.834 4.061 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.508 0.849 2.705 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.495 -0.777 4.342 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.907 0.331 5.636 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.464 2.970 5.729 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.127 2.429 6.057 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.786 3.446 4.637 1.00 0.00 H new ATOM 2029 N LYS A 138 13.829 -0.417 2.218 1.00 0.00 N ATOM 2030 CA LYS A 138 14.930 -0.062 1.331 1.00 0.00 C ATOM 2031 C LYS A 138 14.448 0.805 0.175 1.00 0.00 C ATOM 2032 O LYS A 138 15.067 1.818 -0.153 1.00 0.00 O ATOM 2033 CB LYS A 138 15.614 -1.321 0.795 1.00 0.00 C ATOM 2034 CG LYS A 138 16.819 -1.051 -0.096 1.00 0.00 C ATOM 2035 CD LYS A 138 17.516 -2.345 -0.489 1.00 0.00 C ATOM 2036 CE LYS A 138 18.712 -2.079 -1.393 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.397 -3.337 -1.794 1.00 0.00 N ATOM 0 H LYS A 138 13.642 -1.418 2.277 1.00 0.00 H new ATOM 0 HA LYS A 138 15.652 0.513 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 138 15.931 -1.935 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 138 14.885 -1.904 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.499 -0.521 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.521 -0.401 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.845 -2.870 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.810 -3.000 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.381 -1.546 -2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.419 -1.429 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.205 -3.112 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.735 -3.834 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.730 -3.947 -2.309 1.00 0.00 H new ATOM 2051 N GLU A 139 13.342 0.402 -0.439 1.00 0.00 N ATOM 2052 CA GLU A 139 12.815 1.100 -1.606 1.00 0.00 C ATOM 2053 C GLU A 139 11.305 0.935 -1.712 1.00 0.00 C ATOM 2054 O GLU A 139 10.805 -0.168 -1.934 1.00 0.00 O ATOM 2055 CB GLU A 139 13.486 0.587 -2.883 1.00 0.00 C ATOM 2056 CG GLU A 139 12.950 1.206 -4.166 1.00 0.00 C ATOM 2057 CD GLU A 139 13.651 0.700 -5.396 1.00 0.00 C ATOM 2058 OE1 GLU A 139 14.644 0.027 -5.257 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.192 0.987 -6.476 1.00 0.00 O ATOM 0 H GLU A 139 12.792 -0.406 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 139 13.036 2.161 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.557 0.781 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.361 -0.495 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.884 0.994 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.056 2.290 -4.113 1.00 0.00 H new ATOM 2066 N VAL A 140 10.581 2.037 -1.552 1.00 0.00 N ATOM 2067 CA VAL A 140 9.131 2.032 -1.710 1.00 0.00 C ATOM 2068 C VAL A 140 8.710 2.805 -2.953 1.00 0.00 C ATOM 2069 O VAL A 140 8.911 4.016 -3.041 1.00 0.00 O ATOM 2070 CB VAL A 140 8.456 2.650 -0.472 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.942 2.621 -0.620 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.889 1.903 0.780 1.00 0.00 C ATOM 0 H VAL A 140 10.975 2.947 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 140 8.814 0.995 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 140 8.767 3.691 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.481 3.062 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.652 3.191 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.607 1.589 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.408 2.345 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.599 0.856 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.971 1.972 0.889 1.00 0.00 H new ATOM 2082 N LYS A 141 8.125 2.097 -3.914 1.00 0.00 N ATOM 2083 CA LYS A 141 7.738 2.702 -5.183 1.00 0.00 C ATOM 2084 C LYS A 141 6.293 2.370 -5.533 1.00 0.00 C ATOM 2085 O LYS A 141 5.781 1.314 -5.162 1.00 0.00 O ATOM 2086 CB LYS A 141 8.670 2.239 -6.303 1.00 0.00 C ATOM 2087 CG LYS A 141 10.131 2.618 -6.102 1.00 0.00 C ATOM 2088 CD LYS A 141 10.343 4.115 -6.269 1.00 0.00 C ATOM 2089 CE LYS A 141 11.774 4.513 -5.939 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.756 3.861 -6.846 1.00 0.00 N ATOM 0 H LYS A 141 7.909 1.103 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 141 7.823 3.783 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.598 1.155 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.324 2.663 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.455 2.312 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.750 2.079 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.110 4.405 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 141 9.654 4.656 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.875 5.596 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 141 11.997 4.241 -4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.688 4.306 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.823 2.849 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.444 3.971 -7.832 1.00 0.00 H new ATOM 2104 N VAL A 142 5.639 3.278 -6.250 1.00 0.00 N ATOM 2105 CA VAL A 142 4.305 3.022 -6.779 1.00 0.00 C ATOM 2106 C VAL A 142 4.191 3.475 -8.229 1.00 0.00 C ATOM 2107 O VAL A 142 4.516 4.615 -8.560 1.00 0.00 O ATOM 2108 CB VAL A 142 3.245 3.751 -5.931 1.00 0.00 C ATOM 2109 CG1 VAL A 142 1.854 3.513 -6.499 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.326 3.282 -4.486 1.00 0.00 C ATOM 0 H VAL A 142 6.012 4.199 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 142 4.132 1.947 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 142 3.443 4.822 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.117 4.035 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.809 3.889 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.637 2.445 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.574 3.801 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.145 2.208 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.317 3.500 -4.088 1.00 0.00 H new ATOM 2120 N PHE A 143 3.727 2.575 -9.089 1.00 0.00 N ATOM 2121 CA PHE A 143 3.607 2.868 -10.513 1.00 0.00 C ATOM 2122 C PHE A 143 2.167 2.719 -10.986 1.00 0.00 C ATOM 2123 O PHE A 143 1.504 1.727 -10.686 1.00 0.00 O ATOM 2124 CB PHE A 143 4.515 1.944 -11.326 1.00 0.00 C ATOM 2125 CG PHE A 143 5.976 2.097 -11.010 1.00 0.00 C ATOM 2126 CD1 PHE A 143 6.749 3.038 -11.672 1.00 0.00 C ATOM 2127 CD2 PHE A 143 6.579 1.299 -10.050 1.00 0.00 C ATOM 2128 CE1 PHE A 143 8.092 3.180 -11.384 1.00 0.00 C ATOM 2129 CE2 PHE A 143 7.924 1.439 -9.758 1.00 0.00 C ATOM 2130 CZ PHE A 143 8.680 2.379 -10.425 1.00 0.00 C ATOM 0 H PHE A 143 3.428 1.636 -8.825 1.00 0.00 H new ATOM 0 HA PHE A 143 3.916 3.902 -10.667 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.220 0.910 -11.146 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.360 2.139 -12.387 1.00 0.00 H new ATOM 0 HD1 PHE A 143 6.295 3.668 -12.423 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.992 0.560 -9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 143 8.682 3.917 -11.908 1.00 0.00 H new ATOM 0 HE2 PHE A 143 8.382 0.812 -9.007 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.730 2.489 -10.198 1.00 0.00 H new ATOM 2140 N ASP A 144 1.688 3.713 -11.728 1.00 0.00 N ATOM 2141 CA ASP A 144 0.324 3.696 -12.241 1.00 0.00 C ATOM 2142 C ASP A 144 0.165 2.662 -13.348 1.00 0.00 C ATOM 2143 O ASP A 144 0.987 2.584 -14.261 1.00 0.00 O ATOM 2144 CB ASP A 144 -0.069 5.079 -12.767 1.00 0.00 C ATOM 2145 CG ASP A 144 -1.522 5.152 -13.214 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -2.384 5.155 -12.367 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -1.757 5.205 -14.398 1.00 0.00 O ATOM 0 H ASP A 144 2.225 4.540 -11.987 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.336 3.425 -11.417 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.104 5.821 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.577 5.341 -13.605 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.898 1.869 -13.262 1.00 0.00 N ATOM 2153 CA GLU A 145 -1.149 0.815 -14.238 1.00 0.00 C ATOM 2154 C GLU A 145 -1.917 1.347 -15.439 1.00 0.00 C ATOM 2155 O GLU A 145 -2.709 2.282 -15.317 1.00 0.00 O ATOM 2156 CB GLU A 145 -1.927 -0.335 -13.592 1.00 0.00 C ATOM 2157 CG GLU A 145 -1.146 -1.109 -12.540 1.00 0.00 C ATOM 2158 CD GLU A 145 0.062 -1.807 -13.102 1.00 0.00 C ATOM 2159 OE1 GLU A 145 -0.101 -2.623 -13.977 1.00 0.00 O ATOM 2160 OE2 GLU A 145 1.148 -1.523 -12.655 1.00 0.00 O ATOM 0 H GLU A 145 -1.600 1.937 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.184 0.446 -14.585 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -2.831 0.066 -13.134 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -2.245 -1.026 -14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.830 -0.424 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -1.802 -1.846 -12.077 1.00 0.00 H new ATOM 2167 N PRO A 146 -1.678 0.748 -16.601 1.00 0.00 N ATOM 2168 CA PRO A 146 -2.390 1.123 -17.817 1.00 0.00 C ATOM 2169 C PRO A 146 -3.896 1.134 -17.592 1.00 0.00 C ATOM 2170 O PRO A 146 -4.416 1.977 -17.728 1.00 0.00 O ATOM 2171 CB PRO A 146 -1.975 0.031 -18.809 1.00 0.00 C ATOM 2172 CG PRO A 146 -0.614 -0.377 -18.356 1.00 0.00 C ATOM 2173 CD PRO A 146 -0.691 -0.332 -16.854 1.00 0.00 C ATOM 2174 OXT PRO A 146 -4.459 0.130 -17.250 1.00 0.00 O ATOM 0 HA PRO A 146 -2.150 2.127 -18.166 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -2.669 -0.809 -18.790 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -1.958 0.408 -19.832 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -0.360 -1.376 -18.711 1.00 0.00 H new ATOM 0 HG3 PRO A 146 0.151 0.301 -18.735 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -1.020 -1.284 -16.438 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.277 -0.106 -16.407 1.00 0.00 H new