USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 886 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 32 THR OG1 : rot 180:sc= 0.0489 USER MOD Set 1.2: A 35 GLN : amide:sc= 0 K(o=0.049,f=-1.5) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 12 SER OG : rot 180:sc= -0.196 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.4!) USER MOD Single : A 21 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.065) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.74 X(o=-0.74,f=-0.76) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-3!) USER MOD Single : A 38 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.78) USER MOD Single : A 43 SER OG : rot -35:sc= 0.159 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.032) USER MOD Single : A 49 GLN : amide:sc= -0.0714 X(o=-0.071,f=-0.08) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.053) USER MOD Single : A 57 SER OG : rot -27:sc= 0.605 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.0557 (180deg=0.0411) USER MOD Single : A 66 THR OG1 : rot -91:sc= 1.19 USER MOD Single : A 74 MET CE :methyl 150:sc= -0.332 (180deg=-1.21) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -37:sc= 0.139 USER MOD Single : A 84 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.073) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00716 USER MOD Single : A 106 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.00042) USER MOD Single : A 107 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=-0.098) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.013) USER MOD Single : A 110 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.5!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.943 17.241 1.161 1.00 0.00 N ATOM 2 CA PRO A 1 -10.503 16.924 1.058 1.00 0.00 C ATOM 3 C PRO A 1 -10.239 15.508 1.556 1.00 0.00 C ATOM 4 O PRO A 1 -11.105 14.906 2.191 1.00 0.00 O ATOM 5 CB PRO A 1 -9.719 17.935 1.887 1.00 0.00 C ATOM 6 CG PRO A 1 -10.777 18.731 2.569 1.00 0.00 C ATOM 7 CD PRO A 1 -12.018 18.602 1.719 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.422 16.572 1.764 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.394 17.195 0.247 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.185 16.981 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -9.064 17.442 2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.088 18.564 1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.956 18.357 3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -10.478 19.775 2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -12.922 18.738 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.039 19.354 0.930 1.00 0.00 H new ATOM 17 N PRO A 2 -9.060 14.939 1.245 1.00 0.00 N ATOM 18 CA PRO A 2 -8.655 13.633 1.773 1.00 0.00 C ATOM 19 C PRO A 2 -8.627 13.621 3.300 1.00 0.00 C ATOM 20 O PRO A 2 -8.436 14.661 3.934 1.00 0.00 O ATOM 21 CB PRO A 2 -7.243 13.430 1.208 1.00 0.00 C ATOM 22 CG PRO A 2 -7.171 14.326 0.021 1.00 0.00 C ATOM 23 CD PRO A 2 -8.043 15.506 0.343 1.00 0.00 C ATOM 0 HA PRO A 2 -9.351 12.844 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.482 13.689 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.075 12.390 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.145 14.639 -0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.521 13.815 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.478 16.304 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.493 15.931 -0.554 1.00 0.00 H new ATOM 31 N VAL A 3 -8.827 12.448 3.885 1.00 0.00 N ATOM 32 CA VAL A 3 -8.832 12.312 5.333 1.00 0.00 C ATOM 33 C VAL A 3 -7.400 12.325 5.869 1.00 0.00 C ATOM 34 O VAL A 3 -6.469 11.907 5.179 1.00 0.00 O ATOM 35 CB VAL A 3 -9.560 11.018 5.773 1.00 0.00 C ATOM 36 CG1 VAL A 3 -8.822 9.778 5.296 1.00 0.00 C ATOM 37 CG2 VAL A 3 -9.756 10.987 7.286 1.00 0.00 C ATOM 0 H VAL A 3 -8.988 11.578 3.378 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.375 13.160 5.750 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.544 11.019 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.359 8.887 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.760 9.787 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.816 9.769 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.270 10.068 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.785 11.026 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.354 11.845 7.593 1.00 0.00 H new ATOM 47 N ALA A 4 -7.223 12.839 7.078 1.00 0.00 N ATOM 48 CA ALA A 4 -5.914 12.867 7.707 1.00 0.00 C ATOM 49 C ALA A 4 -5.632 11.537 8.392 1.00 0.00 C ATOM 50 O ALA A 4 -6.552 10.746 8.609 1.00 0.00 O ATOM 51 CB ALA A 4 -5.829 14.014 8.701 1.00 0.00 C ATOM 0 H ALA A 4 -7.971 13.242 7.642 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.158 13.026 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.842 14.022 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.994 14.958 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.590 13.886 9.471 1.00 0.00 H new ATOM 57 N GLU A 5 -4.364 11.305 8.726 1.00 0.00 N ATOM 58 CA GLU A 5 -3.925 10.037 9.307 1.00 0.00 C ATOM 59 C GLU A 5 -4.108 8.919 8.291 1.00 0.00 C ATOM 60 O GLU A 5 -4.959 8.038 8.452 1.00 0.00 O ATOM 61 CB GLU A 5 -4.663 9.721 10.618 1.00 0.00 C ATOM 62 CG GLU A 5 -4.128 10.477 11.831 1.00 0.00 C ATOM 63 CD GLU A 5 -4.117 11.984 11.649 1.00 0.00 C ATOM 64 OE1 GLU A 5 -5.159 12.629 11.891 1.00 0.00 O ATOM 65 OE2 GLU A 5 -3.061 12.534 11.275 1.00 0.00 O ATOM 0 H GLU A 5 -3.615 11.986 8.603 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.867 10.123 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.720 9.957 10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.596 8.650 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.736 10.229 12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.114 10.137 12.043 1.00 0.00 H new ATOM 72 N TRP A 6 -3.287 8.992 7.243 1.00 0.00 N ATOM 73 CA TRP A 6 -3.350 8.094 6.094 1.00 0.00 C ATOM 74 C TRP A 6 -4.551 8.448 5.217 1.00 0.00 C ATOM 75 O TRP A 6 -5.700 8.170 5.562 1.00 0.00 O ATOM 76 CB TRP A 6 -3.375 6.621 6.516 1.00 0.00 C ATOM 77 CG TRP A 6 -3.036 5.690 5.396 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.206 5.950 4.346 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.507 4.351 5.215 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.134 4.859 3.519 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.927 3.863 4.030 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.367 3.520 5.936 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -3.179 2.581 3.554 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.616 2.248 5.464 1.00 0.00 C ATOM 85 CH2 TRP A 6 -4.025 1.788 4.284 1.00 0.00 C ATOM 0 H TRP A 6 -2.547 9.690 7.169 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.441 8.231 5.508 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.670 6.470 7.333 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.365 6.375 6.900 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.681 6.881 4.189 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.581 4.798 2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.829 3.867 6.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.724 2.223 2.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.278 1.597 6.015 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.240 0.787 3.940 1.00 0.00 H new ATOM 96 N ALA A 7 -4.258 9.060 4.073 1.00 0.00 N ATOM 97 CA ALA A 7 -5.274 9.681 3.223 1.00 0.00 C ATOM 98 C ALA A 7 -6.062 8.670 2.389 1.00 0.00 C ATOM 99 O ALA A 7 -6.069 8.721 1.156 1.00 0.00 O ATOM 100 CB ALA A 7 -4.629 10.724 2.324 1.00 0.00 C ATOM 0 H ALA A 7 -3.309 9.140 3.707 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.995 10.158 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.391 11.182 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.156 11.491 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.877 10.247 1.695 1.00 0.00 H new ATOM 106 N VAL A 8 -6.714 7.748 3.066 1.00 0.00 N ATOM 107 CA VAL A 8 -7.658 6.846 2.432 1.00 0.00 C ATOM 108 C VAL A 8 -8.900 6.696 3.317 1.00 0.00 C ATOM 109 O VAL A 8 -8.783 6.446 4.517 1.00 0.00 O ATOM 110 CB VAL A 8 -7.014 5.471 2.143 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.463 4.841 3.411 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.005 4.537 1.462 1.00 0.00 C ATOM 0 H VAL A 8 -6.606 7.601 4.070 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.955 7.270 1.473 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.179 5.635 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.017 3.875 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.705 5.495 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.271 4.701 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.527 3.577 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.869 4.389 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.329 4.976 0.519 1.00 0.00 H new ATOM 122 N PRO A 9 -10.102 6.900 2.739 1.00 0.00 N ATOM 123 CA PRO A 9 -11.371 6.841 3.482 1.00 0.00 C ATOM 124 C PRO A 9 -11.484 5.606 4.372 1.00 0.00 C ATOM 125 O PRO A 9 -11.132 4.497 3.963 1.00 0.00 O ATOM 126 CB PRO A 9 -12.422 6.804 2.372 1.00 0.00 C ATOM 127 CG PRO A 9 -11.790 7.528 1.236 1.00 0.00 C ATOM 128 CD PRO A 9 -10.318 7.219 1.314 1.00 0.00 C ATOM 0 HA PRO A 9 -11.478 7.681 4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.674 5.780 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.347 7.288 2.685 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.207 7.200 0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.968 8.601 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.050 6.381 0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.713 8.069 0.998 1.00 0.00 H new ATOM 136 N GLN A 10 -11.990 5.805 5.587 1.00 0.00 N ATOM 137 CA GLN A 10 -12.075 4.733 6.570 1.00 0.00 C ATOM 138 C GLN A 10 -13.037 3.642 6.109 1.00 0.00 C ATOM 139 O GLN A 10 -12.819 2.462 6.375 1.00 0.00 O ATOM 140 CB GLN A 10 -12.502 5.294 7.930 1.00 0.00 C ATOM 141 CG GLN A 10 -12.502 4.261 9.046 1.00 0.00 C ATOM 142 CD GLN A 10 -12.707 4.878 10.414 1.00 0.00 C ATOM 143 OE1 GLN A 10 -11.748 5.254 11.088 1.00 0.00 O ATOM 144 NE2 GLN A 10 -13.953 4.980 10.839 1.00 0.00 N ATOM 0 H GLN A 10 -12.348 6.703 5.913 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.087 4.284 6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.833 6.110 8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.502 5.718 7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.290 3.531 8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.556 3.720 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.721 4.657 10.250 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.148 5.382 11.756 1.00 0.00 H new ATOM 153 N SER A 11 -14.084 4.037 5.396 1.00 0.00 N ATOM 154 CA SER A 11 -15.032 3.080 4.846 1.00 0.00 C ATOM 155 C SER A 11 -14.334 2.153 3.854 1.00 0.00 C ATOM 156 O SER A 11 -14.592 0.947 3.823 1.00 0.00 O ATOM 157 CB SER A 11 -16.183 3.825 4.170 1.00 0.00 C ATOM 158 OG SER A 11 -15.691 4.824 3.290 1.00 0.00 O ATOM 0 H SER A 11 -14.297 5.012 5.186 1.00 0.00 H new ATOM 0 HA SER A 11 -15.435 2.471 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.803 3.120 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.820 4.283 4.927 1.00 0.00 H new ATOM 0 HG SER A 11 -16.444 5.287 2.867 1.00 0.00 H new ATOM 164 N SER A 12 -13.436 2.722 3.057 1.00 0.00 N ATOM 165 CA SER A 12 -12.647 1.949 2.116 1.00 0.00 C ATOM 166 C SER A 12 -11.639 1.082 2.870 1.00 0.00 C ATOM 167 O SER A 12 -11.445 -0.089 2.540 1.00 0.00 O ATOM 168 CB SER A 12 -11.925 2.889 1.149 1.00 0.00 C ATOM 169 OG SER A 12 -12.817 3.860 0.626 1.00 0.00 O ATOM 0 H SER A 12 -13.239 3.723 3.047 1.00 0.00 H new ATOM 0 HA SER A 12 -13.307 1.297 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.102 3.385 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.489 2.313 0.333 1.00 0.00 H new ATOM 0 HG SER A 12 -12.334 4.451 0.012 1.00 0.00 H new ATOM 175 N ARG A 13 -11.019 1.667 3.898 1.00 0.00 N ATOM 176 CA ARG A 13 -10.059 0.953 4.739 1.00 0.00 C ATOM 177 C ARG A 13 -10.689 -0.302 5.324 1.00 0.00 C ATOM 178 O ARG A 13 -10.157 -1.397 5.176 1.00 0.00 O ATOM 179 CB ARG A 13 -9.554 1.851 5.876 1.00 0.00 C ATOM 180 CG ARG A 13 -8.682 3.004 5.413 1.00 0.00 C ATOM 181 CD ARG A 13 -8.277 3.909 6.569 1.00 0.00 C ATOM 182 NE ARG A 13 -7.522 3.195 7.597 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.609 3.765 8.387 1.00 0.00 C ATOM 184 NH1 ARG A 13 -6.329 5.060 8.268 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.969 3.034 9.289 1.00 0.00 N ATOM 0 H ARG A 13 -11.167 2.639 4.168 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.214 0.670 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.412 2.252 6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.989 1.242 6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.788 2.611 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.219 3.588 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.676 4.734 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.170 4.346 7.015 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.704 2.199 7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.813 5.624 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.630 5.489 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.175 2.039 9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.271 3.467 9.894 1.00 0.00 H new ATOM 199 N LEU A 14 -11.839 -0.133 5.969 1.00 0.00 N ATOM 200 CA LEU A 14 -12.546 -1.236 6.601 1.00 0.00 C ATOM 201 C LEU A 14 -12.870 -2.343 5.605 1.00 0.00 C ATOM 202 O LEU A 14 -12.644 -3.523 5.884 1.00 0.00 O ATOM 203 CB LEU A 14 -13.832 -0.721 7.248 1.00 0.00 C ATOM 204 CG LEU A 14 -13.635 0.182 8.465 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.978 0.634 9.013 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.832 -0.537 9.540 1.00 0.00 C ATOM 0 H LEU A 14 -12.304 0.770 6.067 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.894 -1.660 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.402 -0.173 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.437 -1.577 7.546 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.076 1.064 8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.820 1.276 9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.517 1.188 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.562 -0.237 9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.702 0.122 10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.363 -1.437 9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.855 -0.811 9.142 1.00 0.00 H new ATOM 218 N LYS A 15 -13.376 -1.959 4.440 1.00 0.00 N ATOM 219 CA LYS A 15 -13.811 -2.929 3.442 1.00 0.00 C ATOM 220 C LYS A 15 -12.631 -3.706 2.864 1.00 0.00 C ATOM 221 O LYS A 15 -12.671 -4.930 2.773 1.00 0.00 O ATOM 222 CB LYS A 15 -14.579 -2.236 2.316 1.00 0.00 C ATOM 223 CG LYS A 15 -15.240 -3.207 1.351 1.00 0.00 C ATOM 224 CD LYS A 15 -15.994 -2.479 0.254 1.00 0.00 C ATOM 225 CE LYS A 15 -16.724 -3.454 -0.656 1.00 0.00 C ATOM 226 NZ LYS A 15 -17.413 -2.760 -1.775 1.00 0.00 N ATOM 0 H LYS A 15 -13.495 -0.985 4.163 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.472 -3.637 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.342 -1.590 2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.895 -1.593 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.482 -3.851 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.927 -3.853 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.710 -1.788 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.297 -1.881 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.013 -4.175 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.454 -4.017 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.898 -3.460 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.110 -2.090 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.714 -2.244 -2.346 1.00 0.00 H new ATOM 240 N TYR A 16 -11.572 -2.999 2.492 1.00 0.00 N ATOM 241 CA TYR A 16 -10.428 -3.645 1.858 1.00 0.00 C ATOM 242 C TYR A 16 -9.483 -4.240 2.899 1.00 0.00 C ATOM 243 O TYR A 16 -8.518 -4.914 2.555 1.00 0.00 O ATOM 244 CB TYR A 16 -9.669 -2.665 0.953 1.00 0.00 C ATOM 245 CG TYR A 16 -10.490 -2.126 -0.196 1.00 0.00 C ATOM 246 CD1 TYR A 16 -11.093 -2.982 -1.108 1.00 0.00 C ATOM 247 CD2 TYR A 16 -10.668 -0.759 -0.365 1.00 0.00 C ATOM 248 CE1 TYR A 16 -11.845 -2.491 -2.157 1.00 0.00 C ATOM 249 CE2 TYR A 16 -11.418 -0.260 -1.410 1.00 0.00 C ATOM 250 CZ TYR A 16 -12.006 -1.129 -2.303 1.00 0.00 C ATOM 251 OH TYR A 16 -12.756 -0.634 -3.347 1.00 0.00 O ATOM 0 H TYR A 16 -11.480 -1.991 2.616 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.814 -4.456 1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.315 -1.829 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.787 -3.165 0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.972 -4.049 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.211 -0.074 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.305 -3.170 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.544 0.806 -1.527 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.770 0.345 -3.304 1.00 0.00 H new ATOM 261 N ARG A 17 -9.743 -3.971 4.167 1.00 0.00 N ATOM 262 CA ARG A 17 -9.073 -4.694 5.237 1.00 0.00 C ATOM 263 C ARG A 17 -9.691 -6.077 5.351 1.00 0.00 C ATOM 264 O ARG A 17 -9.008 -7.070 5.582 1.00 0.00 O ATOM 265 CB ARG A 17 -9.206 -3.952 6.563 1.00 0.00 C ATOM 266 CG ARG A 17 -8.544 -4.669 7.720 1.00 0.00 C ATOM 267 CD ARG A 17 -8.913 -4.024 9.040 1.00 0.00 C ATOM 268 NE ARG A 17 -8.397 -4.776 10.180 1.00 0.00 N ATOM 269 CZ ARG A 17 -9.137 -5.602 10.921 1.00 0.00 C ATOM 270 NH1 ARG A 17 -10.421 -5.795 10.637 1.00 0.00 N ATOM 271 NH2 ARG A 17 -8.595 -6.243 11.944 1.00 0.00 N ATOM 0 H ARG A 17 -10.407 -3.263 4.480 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.011 -4.775 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.768 -2.959 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.263 -3.812 6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.847 -5.716 7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.462 -4.651 7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.521 -3.007 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.998 -3.949 9.116 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.413 -4.663 10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.847 -5.310 9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.980 -6.428 11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.609 -6.106 12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.163 -6.874 12.509 1.00 0.00 H new ATOM 285 N GLN A 18 -10.997 -6.109 5.150 1.00 0.00 N ATOM 286 CA GLN A 18 -11.799 -7.320 5.217 1.00 0.00 C ATOM 287 C GLN A 18 -11.624 -8.153 3.956 1.00 0.00 C ATOM 288 O GLN A 18 -12.007 -9.307 3.895 1.00 0.00 O ATOM 289 CB GLN A 18 -13.247 -6.889 5.335 1.00 0.00 C ATOM 290 CG GLN A 18 -14.106 -7.792 6.193 1.00 0.00 C ATOM 291 CD GLN A 18 -14.715 -8.940 5.411 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.020 -8.807 4.223 1.00 0.00 O ATOM 293 NE2 GLN A 18 -14.902 -10.073 6.069 1.00 0.00 N ATOM 0 H GLN A 18 -11.542 -5.275 4.931 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.491 -7.928 6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.280 -5.880 5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.680 -6.840 4.336 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.503 -8.193 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.904 -7.204 6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.636 -10.142 7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.312 -10.877 5.594 1.00 0.00 H new ATOM 302 N LEU A 19 -11.060 -7.529 2.958 1.00 0.00 N ATOM 303 CA LEU A 19 -10.979 -8.092 1.608 1.00 0.00 C ATOM 304 C LEU A 19 -9.847 -7.454 0.867 1.00 0.00 C ATOM 305 O LEU A 19 -10.015 -7.130 -0.303 1.00 0.00 O ATOM 306 CB LEU A 19 -12.228 -7.714 0.845 1.00 0.00 C ATOM 307 CG LEU A 19 -12.635 -8.674 -0.274 1.00 0.00 C ATOM 308 CD1 LEU A 19 -13.318 -9.909 0.291 1.00 0.00 C ATOM 309 CD2 LEU A 19 -13.519 -7.967 -1.286 1.00 0.00 C ATOM 0 H LEU A 19 -10.635 -6.606 3.044 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.852 -9.172 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.054 -7.637 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.083 -6.723 0.414 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.733 -9.005 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.598 -10.576 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.635 -10.427 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.212 -9.612 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.799 -8.665 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.418 -7.600 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.976 -7.128 -1.720 1.00 0.00 H new ATOM 321 N PHE A 20 -8.688 -7.284 1.463 1.00 0.00 N ATOM 322 CA PHE A 20 -7.817 -8.328 2.054 1.00 0.00 C ATOM 323 C PHE A 20 -8.449 -9.501 2.827 1.00 0.00 C ATOM 324 O PHE A 20 -8.744 -10.529 2.225 1.00 0.00 O ATOM 325 CB PHE A 20 -6.800 -7.623 2.958 1.00 0.00 C ATOM 326 CG PHE A 20 -5.527 -8.388 3.190 1.00 0.00 C ATOM 327 CD1 PHE A 20 -5.468 -9.399 4.132 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.385 -8.082 2.469 1.00 0.00 C ATOM 329 CE1 PHE A 20 -4.298 -10.095 4.350 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.208 -8.772 2.685 1.00 0.00 C ATOM 331 CZ PHE A 20 -3.166 -9.781 3.626 1.00 0.00 C ATOM 0 H PHE A 20 -8.282 -6.354 1.565 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.398 -8.834 1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.552 -6.657 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.268 -7.423 3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.350 -9.646 4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.415 -7.295 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.268 -10.885 5.086 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.323 -8.523 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.248 -10.324 3.795 1.00 0.00 H new ATOM 341 N ASN A 21 -8.667 -9.339 4.130 1.00 0.00 N ATOM 342 CA ASN A 21 -8.628 -10.471 5.091 1.00 0.00 C ATOM 343 C ASN A 21 -9.490 -11.684 4.721 1.00 0.00 C ATOM 344 O ASN A 21 -9.077 -12.816 4.962 1.00 0.00 O ATOM 345 CB ASN A 21 -9.003 -9.987 6.491 1.00 0.00 C ATOM 346 CG ASN A 21 -8.397 -10.842 7.593 1.00 0.00 C ATOM 347 OD1 ASN A 21 -8.993 -11.021 8.654 1.00 0.00 O ATOM 348 ND2 ASN A 21 -7.195 -11.355 7.362 1.00 0.00 N ATOM 0 H ASN A 21 -8.874 -8.437 4.559 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.598 -10.826 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.672 -8.956 6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.088 -9.988 6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.735 -11.919 8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.731 -11.185 6.470 1.00 0.00 H new ATOM 355 N SER A 22 -10.662 -11.474 4.146 1.00 0.00 N ATOM 356 CA SER A 22 -11.549 -12.581 3.794 1.00 0.00 C ATOM 357 C SER A 22 -10.903 -13.489 2.744 1.00 0.00 C ATOM 358 O SER A 22 -11.249 -14.663 2.636 1.00 0.00 O ATOM 359 CB SER A 22 -12.895 -12.052 3.292 1.00 0.00 C ATOM 360 OG SER A 22 -13.839 -13.099 3.130 1.00 0.00 O ATOM 0 H SER A 22 -11.025 -10.550 3.911 1.00 0.00 H new ATOM 0 HA SER A 22 -11.723 -13.174 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.283 -11.317 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.753 -11.538 2.341 1.00 0.00 H new ATOM 0 HG SER A 22 -14.688 -12.728 2.810 1.00 0.00 H new ATOM 366 N HIS A 23 -9.956 -12.943 1.981 1.00 0.00 N ATOM 367 CA HIS A 23 -9.239 -13.719 0.971 1.00 0.00 C ATOM 368 C HIS A 23 -8.245 -14.678 1.624 1.00 0.00 C ATOM 369 O HIS A 23 -7.676 -15.543 0.958 1.00 0.00 O ATOM 370 CB HIS A 23 -8.490 -12.799 -0.005 1.00 0.00 C ATOM 371 CG HIS A 23 -9.359 -12.164 -1.049 1.00 0.00 C ATOM 372 ND1 HIS A 23 -9.479 -12.661 -2.329 1.00 0.00 N ATOM 373 CD2 HIS A 23 -10.139 -11.057 -1.006 1.00 0.00 C ATOM 374 CE1 HIS A 23 -10.291 -11.888 -3.026 1.00 0.00 C ATOM 375 NE2 HIS A 23 -10.705 -10.908 -2.247 1.00 0.00 N ATOM 0 H HIS A 23 -9.668 -11.966 2.044 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.981 -14.294 0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.994 -12.013 0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.709 -13.375 -0.501 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.013 -13.496 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.288 -10.411 -0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.569 -12.034 -4.059 1.00 0.00 H new ATOM 384 N ASP A 24 -8.041 -14.519 2.926 1.00 0.00 N ATOM 385 CA ASP A 24 -7.094 -15.348 3.657 1.00 0.00 C ATOM 386 C ASP A 24 -7.713 -15.830 4.962 1.00 0.00 C ATOM 387 O ASP A 24 -8.893 -15.598 5.224 1.00 0.00 O ATOM 388 CB ASP A 24 -5.819 -14.560 3.967 1.00 0.00 C ATOM 389 CG ASP A 24 -4.586 -15.450 3.976 1.00 0.00 C ATOM 390 OD1 ASP A 24 -4.419 -16.238 4.935 1.00 0.00 O ATOM 391 OD2 ASP A 24 -3.787 -15.380 3.022 1.00 0.00 O ATOM 0 H ASP A 24 -8.520 -13.822 3.497 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.843 -16.206 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.691 -13.771 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.921 -14.072 4.937 1.00 0.00 H new ATOM 396 N LYS A 25 -6.915 -16.503 5.769 1.00 0.00 N ATOM 397 CA LYS A 25 -7.330 -16.912 7.104 1.00 0.00 C ATOM 398 C LYS A 25 -6.150 -16.866 8.081 1.00 0.00 C ATOM 399 O LYS A 25 -6.324 -17.075 9.283 1.00 0.00 O ATOM 400 CB LYS A 25 -7.905 -18.330 7.079 1.00 0.00 C ATOM 401 CG LYS A 25 -6.861 -19.399 6.794 1.00 0.00 C ATOM 402 CD LYS A 25 -7.378 -20.786 7.130 1.00 0.00 C ATOM 403 CE LYS A 25 -6.244 -21.794 7.179 1.00 0.00 C ATOM 404 NZ LYS A 25 -6.698 -23.120 7.672 1.00 0.00 N ATOM 0 H LYS A 25 -5.965 -16.782 5.523 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.099 -16.215 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.377 -18.540 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.686 -18.384 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.577 -19.360 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.962 -19.194 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.891 -20.763 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.111 -21.095 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.815 -21.905 6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.453 -21.418 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.893 -23.778 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.084 -23.020 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.435 -23.492 7.039 1.00 0.00 H new ATOM 418 N THR A 26 -4.959 -16.583 7.569 1.00 0.00 N ATOM 419 CA THR A 26 -3.745 -16.690 8.359 1.00 0.00 C ATOM 420 C THR A 26 -3.290 -15.326 8.852 1.00 0.00 C ATOM 421 O THR A 26 -2.382 -14.730 8.268 1.00 0.00 O ATOM 422 CB THR A 26 -2.610 -17.313 7.528 1.00 0.00 C ATOM 423 OG1 THR A 26 -3.161 -18.124 6.478 1.00 0.00 O ATOM 424 CG2 THR A 26 -1.698 -18.163 8.403 1.00 0.00 C ATOM 0 H THR A 26 -4.811 -16.277 6.607 1.00 0.00 H new ATOM 0 HA THR A 26 -3.971 -17.327 9.214 1.00 0.00 H new ATOM 0 HB THR A 26 -2.021 -16.504 7.096 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.509 -17.546 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.904 -18.592 7.792 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.259 -17.541 9.183 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.277 -18.965 8.861 1.00 0.00 H new ATOM 432 N MET A 27 -3.933 -14.821 9.912 1.00 0.00 N ATOM 433 CA MET A 27 -3.601 -13.512 10.448 1.00 0.00 C ATOM 434 C MET A 27 -3.839 -12.464 9.378 1.00 0.00 C ATOM 435 O MET A 27 -4.589 -12.686 8.421 1.00 0.00 O ATOM 436 CB MET A 27 -2.134 -13.452 10.905 1.00 0.00 C ATOM 437 CG MET A 27 -1.752 -14.488 11.948 1.00 0.00 C ATOM 438 SD MET A 27 0.014 -14.460 12.318 1.00 0.00 S ATOM 439 CE MET A 27 0.147 -15.844 13.448 1.00 0.00 C ATOM 0 H MET A 27 -4.682 -15.303 10.408 1.00 0.00 H new ATOM 0 HA MET A 27 -4.235 -13.322 11.314 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.491 -13.579 10.034 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.933 -12.459 11.308 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.316 -14.306 12.863 1.00 0.00 H new ATOM 0 HG3 MET A 27 -2.032 -15.480 11.593 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.183 -15.955 13.767 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.483 -15.664 14.319 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.178 -16.756 12.947 1.00 0.00 H new ATOM 449 N SER A 28 -3.249 -11.313 9.575 1.00 0.00 N ATOM 450 CA SER A 28 -3.128 -10.352 8.510 1.00 0.00 C ATOM 451 C SER A 28 -2.079 -10.897 7.545 1.00 0.00 C ATOM 452 O SER A 28 -2.345 -11.086 6.365 1.00 0.00 O ATOM 453 CB SER A 28 -2.729 -8.984 9.073 1.00 0.00 C ATOM 454 OG SER A 28 -3.580 -8.617 10.151 1.00 0.00 O ATOM 0 H SER A 28 -2.845 -11.019 10.464 1.00 0.00 H new ATOM 0 HA SER A 28 -4.075 -10.207 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.694 -9.013 9.414 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.785 -8.231 8.287 1.00 0.00 H new ATOM 0 HG SER A 28 -3.309 -7.742 10.499 1.00 0.00 H new ATOM 460 N GLY A 29 -0.886 -11.160 8.089 1.00 0.00 N ATOM 461 CA GLY A 29 0.132 -11.957 7.407 1.00 0.00 C ATOM 462 C GLY A 29 0.677 -11.366 6.116 1.00 0.00 C ATOM 463 O GLY A 29 1.635 -11.905 5.569 1.00 0.00 O ATOM 0 H GLY A 29 -0.602 -10.827 9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.964 -12.114 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.288 -12.938 7.187 1.00 0.00 H new ATOM 467 N HIS A 30 0.075 -10.266 5.651 1.00 0.00 N ATOM 468 CA HIS A 30 0.381 -9.636 4.346 1.00 0.00 C ATOM 469 C HIS A 30 0.267 -10.639 3.180 1.00 0.00 C ATOM 470 O HIS A 30 0.188 -11.849 3.378 1.00 0.00 O ATOM 471 CB HIS A 30 1.761 -8.925 4.328 1.00 0.00 C ATOM 472 CG HIS A 30 2.980 -9.810 4.335 1.00 0.00 C ATOM 473 ND1 HIS A 30 3.876 -9.849 5.384 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.455 -10.680 3.412 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.840 -10.702 5.104 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.611 -11.222 3.915 1.00 0.00 N ATOM 0 H HIS A 30 -0.651 -9.775 6.173 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.377 -8.866 4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.806 -8.292 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.815 -8.265 5.194 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.803 -9.303 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.006 -10.906 2.456 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.679 -10.936 5.743 1.00 0.00 H new ATOM 485 N LEU A 31 0.236 -10.123 1.961 1.00 0.00 N ATOM 486 CA LEU A 31 0.240 -10.969 0.774 1.00 0.00 C ATOM 487 C LEU A 31 1.571 -10.832 0.054 1.00 0.00 C ATOM 488 O LEU A 31 2.300 -9.863 0.268 1.00 0.00 O ATOM 489 CB LEU A 31 -0.906 -10.602 -0.174 1.00 0.00 C ATOM 490 CG LEU A 31 -2.313 -10.909 0.344 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.356 -10.485 -0.677 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.458 -12.389 0.670 1.00 0.00 C ATOM 0 H LEU A 31 0.208 -9.122 1.766 1.00 0.00 H new ATOM 0 HA LEU A 31 0.098 -12.002 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.844 -9.537 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.760 -11.133 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.472 -10.342 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.352 -10.710 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.271 -9.414 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.194 -11.027 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.466 -12.584 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.278 -12.979 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.734 -12.665 1.436 1.00 0.00 H new ATOM 504 N THR A 32 1.891 -11.793 -0.791 1.00 0.00 N ATOM 505 CA THR A 32 3.158 -11.785 -1.497 1.00 0.00 C ATOM 506 C THR A 32 3.029 -11.128 -2.867 1.00 0.00 C ATOM 507 O THR A 32 1.923 -10.814 -3.312 1.00 0.00 O ATOM 508 CB THR A 32 3.710 -13.211 -1.646 1.00 0.00 C ATOM 509 OG1 THR A 32 2.623 -14.135 -1.795 1.00 0.00 O ATOM 510 CG2 THR A 32 4.561 -13.591 -0.442 1.00 0.00 C ATOM 0 H THR A 32 1.291 -12.590 -1.005 1.00 0.00 H new ATOM 0 HA THR A 32 3.858 -11.197 -0.903 1.00 0.00 H new ATOM 0 HB THR A 32 4.342 -13.250 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.977 -15.044 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.941 -14.605 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.398 -12.898 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.954 -13.543 0.462 1.00 0.00 H new ATOM 518 N GLY A 33 4.172 -10.933 -3.520 1.00 0.00 N ATOM 519 CA GLY A 33 4.226 -10.258 -4.806 1.00 0.00 C ATOM 520 C GLY A 33 3.245 -10.796 -5.826 1.00 0.00 C ATOM 521 O GLY A 33 2.356 -10.064 -6.266 1.00 0.00 O ATOM 0 H GLY A 33 5.081 -11.238 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.032 -9.196 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.236 -10.344 -5.208 1.00 0.00 H new ATOM 525 N PRO A 34 3.397 -12.061 -6.247 1.00 0.00 N ATOM 526 CA PRO A 34 2.504 -12.681 -7.229 1.00 0.00 C ATOM 527 C PRO A 34 1.035 -12.561 -6.835 1.00 0.00 C ATOM 528 O PRO A 34 0.203 -12.166 -7.644 1.00 0.00 O ATOM 529 CB PRO A 34 2.938 -14.147 -7.232 1.00 0.00 C ATOM 530 CG PRO A 34 4.360 -14.119 -6.795 1.00 0.00 C ATOM 531 CD PRO A 34 4.465 -12.986 -5.815 1.00 0.00 C ATOM 0 HA PRO A 34 2.577 -12.200 -8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.327 -14.743 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.837 -14.588 -8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.646 -15.064 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.027 -13.965 -7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.313 -13.325 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.446 -12.512 -5.852 1.00 0.00 H new ATOM 539 N GLN A 35 0.731 -12.880 -5.581 1.00 0.00 N ATOM 540 CA GLN A 35 -0.642 -12.833 -5.082 1.00 0.00 C ATOM 541 C GLN A 35 -1.225 -11.425 -5.191 1.00 0.00 C ATOM 542 O GLN A 35 -2.302 -11.233 -5.755 1.00 0.00 O ATOM 543 CB GLN A 35 -0.690 -13.312 -3.631 1.00 0.00 C ATOM 544 CG GLN A 35 -0.225 -14.748 -3.452 1.00 0.00 C ATOM 545 CD GLN A 35 -0.333 -15.218 -2.016 1.00 0.00 C ATOM 546 OE1 GLN A 35 -0.255 -14.420 -1.081 1.00 0.00 O ATOM 547 NE2 GLN A 35 -0.504 -16.515 -1.828 1.00 0.00 N ATOM 0 H GLN A 35 1.419 -13.175 -4.888 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.248 -13.496 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.068 -12.658 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.711 -13.220 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.820 -15.401 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.810 -14.835 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.564 -17.143 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.576 -16.888 -0.881 1.00 0.00 H new ATOM 556 N ALA A 36 -0.501 -10.445 -4.665 1.00 0.00 N ATOM 557 CA ALA A 36 -0.931 -9.051 -4.714 1.00 0.00 C ATOM 558 C ALA A 36 -1.132 -8.590 -6.158 1.00 0.00 C ATOM 559 O ALA A 36 -2.154 -8.000 -6.501 1.00 0.00 O ATOM 560 CB ALA A 36 0.092 -8.173 -4.021 1.00 0.00 C ATOM 0 H ALA A 36 0.393 -10.590 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.887 -8.966 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.234 -7.134 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.192 -8.483 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.055 -8.271 -4.523 1.00 0.00 H new ATOM 566 N ARG A 37 -0.153 -8.895 -7.003 1.00 0.00 N ATOM 567 CA ARG A 37 -0.178 -8.491 -8.405 1.00 0.00 C ATOM 568 C ARG A 37 -1.266 -9.216 -9.188 1.00 0.00 C ATOM 569 O ARG A 37 -1.775 -8.690 -10.176 1.00 0.00 O ATOM 570 CB ARG A 37 1.194 -8.710 -9.044 1.00 0.00 C ATOM 571 CG ARG A 37 2.088 -7.482 -8.947 1.00 0.00 C ATOM 572 CD ARG A 37 3.492 -7.748 -9.464 1.00 0.00 C ATOM 573 NE ARG A 37 4.286 -8.536 -8.520 1.00 0.00 N ATOM 574 CZ ARG A 37 5.620 -8.546 -8.509 1.00 0.00 C ATOM 575 NH1 ARG A 37 6.298 -7.847 -9.413 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.278 -9.257 -7.603 1.00 0.00 N ATOM 0 H ARG A 37 0.676 -9.426 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.416 -7.428 -8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.686 -9.553 -8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.064 -8.978 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.643 -6.665 -9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.142 -7.155 -7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.433 -8.275 -10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.993 -6.799 -9.655 1.00 0.00 H new ATOM 0 HE ARG A 37 3.793 -9.108 -7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.799 -7.302 -10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.318 -7.855 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.764 -9.800 -6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.298 -9.261 -7.600 1.00 0.00 H new ATOM 590 N THR A 38 -1.608 -10.423 -8.762 1.00 0.00 N ATOM 591 CA THR A 38 -2.696 -11.170 -9.387 1.00 0.00 C ATOM 592 C THR A 38 -4.023 -10.447 -9.173 1.00 0.00 C ATOM 593 O THR A 38 -4.814 -10.286 -10.103 1.00 0.00 O ATOM 594 CB THR A 38 -2.790 -12.611 -8.837 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.582 -13.322 -9.132 1.00 0.00 O ATOM 596 CG2 THR A 38 -3.974 -13.356 -9.439 1.00 0.00 C ATOM 0 H THR A 38 -1.151 -10.907 -7.989 1.00 0.00 H new ATOM 0 HA THR A 38 -2.482 -11.231 -10.454 1.00 0.00 H new ATOM 0 HB THR A 38 -2.933 -12.551 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.918 -13.143 -8.434 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.013 -14.367 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.897 -12.831 -9.194 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.861 -13.405 -10.522 1.00 0.00 H new ATOM 604 N ILE A 39 -4.248 -9.993 -7.945 1.00 0.00 N ATOM 605 CA ILE A 39 -5.449 -9.240 -7.616 1.00 0.00 C ATOM 606 C ILE A 39 -5.454 -7.905 -8.358 1.00 0.00 C ATOM 607 O ILE A 39 -6.483 -7.473 -8.877 1.00 0.00 O ATOM 608 CB ILE A 39 -5.562 -8.998 -6.096 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.546 -10.334 -5.347 1.00 0.00 C ATOM 610 CG2 ILE A 39 -6.831 -8.218 -5.771 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.569 -10.194 -3.841 1.00 0.00 C ATOM 0 H ILE A 39 -3.612 -10.135 -7.160 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.310 -9.830 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.706 -8.406 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.407 -10.925 -5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.655 -10.891 -5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.893 -8.057 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.807 -7.255 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.701 -8.784 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.556 -11.183 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.694 -9.631 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.473 -9.666 -3.538 1.00 0.00 H new ATOM 623 N LEU A 40 -4.286 -7.273 -8.418 1.00 0.00 N ATOM 624 CA LEU A 40 -4.114 -6.029 -9.162 1.00 0.00 C ATOM 625 C LEU A 40 -4.445 -6.225 -10.640 1.00 0.00 C ATOM 626 O LEU A 40 -5.088 -5.380 -11.267 1.00 0.00 O ATOM 627 CB LEU A 40 -2.674 -5.525 -9.011 1.00 0.00 C ATOM 628 CG LEU A 40 -2.287 -5.069 -7.602 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.850 -4.582 -7.581 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.230 -3.981 -7.105 1.00 0.00 C ATOM 0 H LEU A 40 -3.439 -7.605 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.801 -5.288 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.994 -6.320 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.523 -4.693 -9.699 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.374 -5.923 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.589 -4.261 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.187 -5.391 -7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.740 -3.743 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.934 -3.674 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.182 -3.123 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.249 -4.366 -7.081 1.00 0.00 H new ATOM 642 N MET A 41 -4.021 -7.361 -11.181 1.00 0.00 N ATOM 643 CA MET A 41 -4.218 -7.684 -12.590 1.00 0.00 C ATOM 644 C MET A 41 -5.702 -7.861 -12.919 1.00 0.00 C ATOM 645 O MET A 41 -6.116 -7.683 -14.065 1.00 0.00 O ATOM 646 CB MET A 41 -3.442 -8.960 -12.933 1.00 0.00 C ATOM 647 CG MET A 41 -3.555 -9.396 -14.386 1.00 0.00 C ATOM 648 SD MET A 41 -2.594 -10.884 -14.732 1.00 0.00 S ATOM 649 CE MET A 41 -3.062 -11.192 -16.432 1.00 0.00 C ATOM 0 H MET A 41 -3.531 -8.085 -10.655 1.00 0.00 H new ATOM 0 HA MET A 41 -3.844 -6.855 -13.191 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.390 -8.805 -12.694 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.798 -9.769 -12.295 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.602 -9.578 -14.628 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.214 -8.588 -15.033 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.550 -12.083 -16.795 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.140 -11.343 -16.491 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.782 -10.337 -17.047 1.00 0.00 H new ATOM 659 N GLN A 42 -6.501 -8.179 -11.906 1.00 0.00 N ATOM 660 CA GLN A 42 -7.926 -8.426 -12.099 1.00 0.00 C ATOM 661 C GLN A 42 -8.662 -7.155 -12.522 1.00 0.00 C ATOM 662 O GLN A 42 -9.774 -7.217 -13.046 1.00 0.00 O ATOM 663 CB GLN A 42 -8.550 -8.989 -10.822 1.00 0.00 C ATOM 664 CG GLN A 42 -8.023 -10.359 -10.433 1.00 0.00 C ATOM 665 CD GLN A 42 -8.653 -10.878 -9.158 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.795 -10.546 -8.837 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.918 -11.695 -8.424 1.00 0.00 N ATOM 0 H GLN A 42 -6.185 -8.272 -10.941 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.027 -9.159 -12.899 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.367 -8.294 -10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.630 -9.050 -10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.215 -11.063 -11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.942 -10.307 -10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.976 -11.945 -8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.292 -12.076 -7.555 1.00 0.00 H new ATOM 676 N SER A 43 -8.039 -6.006 -12.305 1.00 0.00 N ATOM 677 CA SER A 43 -8.642 -4.739 -12.684 1.00 0.00 C ATOM 678 C SER A 43 -8.473 -4.492 -14.186 1.00 0.00 C ATOM 679 O SER A 43 -9.040 -3.543 -14.733 1.00 0.00 O ATOM 680 CB SER A 43 -8.022 -3.590 -11.880 1.00 0.00 C ATOM 681 OG SER A 43 -8.699 -2.369 -12.129 1.00 0.00 O ATOM 0 H SER A 43 -7.120 -5.926 -11.870 1.00 0.00 H new ATOM 0 HA SER A 43 -9.708 -4.784 -12.460 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.064 -3.822 -10.816 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.969 -3.486 -12.142 1.00 0.00 H new ATOM 0 HG SER A 43 -8.997 -2.345 -13.062 1.00 0.00 H new ATOM 687 N SER A 44 -7.685 -5.354 -14.836 1.00 0.00 N ATOM 688 CA SER A 44 -7.460 -5.289 -16.281 1.00 0.00 C ATOM 689 C SER A 44 -6.837 -3.959 -16.700 1.00 0.00 C ATOM 690 O SER A 44 -7.008 -3.507 -17.835 1.00 0.00 O ATOM 691 CB SER A 44 -8.777 -5.517 -17.027 1.00 0.00 C ATOM 692 OG SER A 44 -9.368 -6.748 -16.642 1.00 0.00 O ATOM 0 H SER A 44 -7.186 -6.115 -14.375 1.00 0.00 H new ATOM 0 HA SER A 44 -6.755 -6.077 -16.543 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.465 -4.697 -16.819 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.596 -5.516 -18.102 1.00 0.00 H new ATOM 0 HG SER A 44 -10.209 -6.873 -17.129 1.00 0.00 H new ATOM 698 N LEU A 45 -6.105 -3.337 -15.788 1.00 0.00 N ATOM 699 CA LEU A 45 -5.413 -2.095 -16.092 1.00 0.00 C ATOM 700 C LEU A 45 -4.124 -2.391 -16.850 1.00 0.00 C ATOM 701 O LEU A 45 -3.538 -3.464 -16.687 1.00 0.00 O ATOM 702 CB LEU A 45 -5.108 -1.319 -14.806 1.00 0.00 C ATOM 703 CG LEU A 45 -6.331 -0.917 -13.976 1.00 0.00 C ATOM 704 CD1 LEU A 45 -5.902 -0.153 -12.735 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.294 -0.085 -14.811 1.00 0.00 C ATOM 0 H LEU A 45 -5.975 -3.672 -14.833 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.059 -1.479 -16.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.451 -1.925 -14.183 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.556 -0.417 -15.068 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.847 -1.824 -13.661 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.783 0.125 -12.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.252 -0.782 -12.127 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.363 0.747 -13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.157 0.191 -14.204 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.790 0.817 -15.157 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.626 -0.667 -15.671 1.00 0.00 H new ATOM 717 N PRO A 46 -3.685 -1.463 -17.716 1.00 0.00 N ATOM 718 CA PRO A 46 -2.424 -1.600 -18.457 1.00 0.00 C ATOM 719 C PRO A 46 -1.245 -1.898 -17.531 1.00 0.00 C ATOM 720 O PRO A 46 -1.179 -1.383 -16.412 1.00 0.00 O ATOM 721 CB PRO A 46 -2.250 -0.232 -19.116 1.00 0.00 C ATOM 722 CG PRO A 46 -3.631 0.307 -19.242 1.00 0.00 C ATOM 723 CD PRO A 46 -4.391 -0.214 -18.052 1.00 0.00 C ATOM 0 HA PRO A 46 -2.452 -2.428 -19.166 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.624 0.422 -18.510 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.769 -0.320 -20.090 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.625 1.397 -19.254 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.094 -0.019 -20.173 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.373 0.493 -17.223 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.438 -0.397 -18.293 1.00 0.00 H new ATOM 731 N GLN A 47 -0.316 -2.723 -18.008 1.00 0.00 N ATOM 732 CA GLN A 47 0.844 -3.132 -17.215 1.00 0.00 C ATOM 733 C GLN A 47 1.630 -1.913 -16.749 1.00 0.00 C ATOM 734 O GLN A 47 2.131 -1.884 -15.625 1.00 0.00 O ATOM 735 CB GLN A 47 1.733 -4.077 -18.041 1.00 0.00 C ATOM 736 CG GLN A 47 2.871 -4.729 -17.263 1.00 0.00 C ATOM 737 CD GLN A 47 4.198 -3.995 -17.396 1.00 0.00 C ATOM 738 OE1 GLN A 47 4.974 -4.257 -18.315 1.00 0.00 O ATOM 739 NE2 GLN A 47 4.472 -3.073 -16.488 1.00 0.00 N ATOM 0 H GLN A 47 -0.343 -3.124 -18.945 1.00 0.00 H new ATOM 0 HA GLN A 47 0.499 -3.665 -16.329 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.107 -4.861 -18.467 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.156 -3.518 -18.876 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.597 -4.780 -16.209 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.996 -5.755 -17.610 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.806 -2.881 -15.739 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.349 -2.554 -16.536 1.00 0.00 H new ATOM 748 N ALA A 48 1.729 -0.910 -17.613 1.00 0.00 N ATOM 749 CA ALA A 48 2.388 0.342 -17.261 1.00 0.00 C ATOM 750 C ALA A 48 1.760 0.968 -16.019 1.00 0.00 C ATOM 751 O ALA A 48 2.467 1.406 -15.107 1.00 0.00 O ATOM 752 CB ALA A 48 2.338 1.319 -18.425 1.00 0.00 C ATOM 0 H ALA A 48 1.361 -0.939 -18.564 1.00 0.00 H new ATOM 0 HA ALA A 48 3.430 0.116 -17.036 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.835 2.247 -18.143 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.844 0.884 -19.287 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.299 1.527 -18.681 1.00 0.00 H new ATOM 758 N GLN A 49 0.434 0.994 -15.985 1.00 0.00 N ATOM 759 CA GLN A 49 -0.294 1.525 -14.841 1.00 0.00 C ATOM 760 C GLN A 49 -0.100 0.628 -13.627 1.00 0.00 C ATOM 761 O GLN A 49 0.109 1.106 -12.511 1.00 0.00 O ATOM 762 CB GLN A 49 -1.784 1.635 -15.165 1.00 0.00 C ATOM 763 CG GLN A 49 -2.096 2.544 -16.345 1.00 0.00 C ATOM 764 CD GLN A 49 -1.672 3.979 -16.118 1.00 0.00 C ATOM 765 OE1 GLN A 49 -0.556 4.369 -16.450 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.563 4.776 -15.551 1.00 0.00 N ATOM 0 H GLN A 49 -0.161 0.652 -16.740 1.00 0.00 H new ATOM 0 HA GLN A 49 0.097 2.517 -14.616 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.174 0.639 -15.374 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.310 2.005 -14.285 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.596 2.160 -17.234 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.167 2.515 -16.545 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.480 4.412 -15.290 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.333 5.754 -15.375 1.00 0.00 H new ATOM 775 N LEU A 50 -0.160 -0.677 -13.865 1.00 0.00 N ATOM 776 CA LEU A 50 0.019 -1.674 -12.822 1.00 0.00 C ATOM 777 C LEU A 50 1.381 -1.537 -12.150 1.00 0.00 C ATOM 778 O LEU A 50 1.485 -1.585 -10.924 1.00 0.00 O ATOM 779 CB LEU A 50 -0.143 -3.074 -13.419 1.00 0.00 C ATOM 780 CG LEU A 50 -1.572 -3.452 -13.815 1.00 0.00 C ATOM 781 CD1 LEU A 50 -1.611 -4.867 -14.367 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.510 -3.323 -12.622 1.00 0.00 C ATOM 0 H LEU A 50 -0.335 -1.072 -14.789 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.742 -1.515 -12.058 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.494 -3.152 -14.300 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.222 -3.804 -12.697 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.907 -2.765 -14.592 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.634 -5.121 -14.644 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.970 -4.932 -15.246 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.257 -5.564 -13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.521 -3.596 -12.923 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.177 -3.987 -11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.504 -2.294 -12.264 1.00 0.00 H new ATOM 794 N ALA A 51 2.419 -1.348 -12.955 1.00 0.00 N ATOM 795 CA ALA A 51 3.768 -1.178 -12.437 1.00 0.00 C ATOM 796 C ALA A 51 3.866 0.082 -11.584 1.00 0.00 C ATOM 797 O ALA A 51 4.514 0.083 -10.539 1.00 0.00 O ATOM 798 CB ALA A 51 4.767 -1.122 -13.580 1.00 0.00 C ATOM 0 H ALA A 51 2.351 -1.309 -13.972 1.00 0.00 H new ATOM 0 HA ALA A 51 4.004 -2.035 -11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.772 -0.995 -13.179 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.719 -2.049 -14.151 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.527 -0.282 -14.232 1.00 0.00 H new ATOM 804 N SER A 52 3.210 1.143 -12.033 1.00 0.00 N ATOM 805 CA SER A 52 3.204 2.401 -11.304 1.00 0.00 C ATOM 806 C SER A 52 2.477 2.235 -9.968 1.00 0.00 C ATOM 807 O SER A 52 2.994 2.628 -8.926 1.00 0.00 O ATOM 808 CB SER A 52 2.544 3.498 -12.148 1.00 0.00 C ATOM 809 OG SER A 52 2.613 4.761 -11.508 1.00 0.00 O ATOM 0 H SER A 52 2.674 1.156 -12.901 1.00 0.00 H new ATOM 0 HA SER A 52 4.233 2.696 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.034 3.555 -13.120 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.501 3.239 -12.332 1.00 0.00 H new ATOM 0 HG SER A 52 2.185 5.438 -12.073 1.00 0.00 H new ATOM 815 N ILE A 53 1.289 1.635 -10.010 1.00 0.00 N ATOM 816 CA ILE A 53 0.505 1.378 -8.806 1.00 0.00 C ATOM 817 C ILE A 53 1.286 0.505 -7.831 1.00 0.00 C ATOM 818 O ILE A 53 1.350 0.800 -6.636 1.00 0.00 O ATOM 819 CB ILE A 53 -0.839 0.694 -9.156 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.720 1.649 -9.970 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.562 0.234 -7.893 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.992 1.016 -10.486 1.00 0.00 C ATOM 0 H ILE A 53 0.847 1.316 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 53 0.297 2.339 -8.335 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.631 -0.189 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.978 2.508 -9.350 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.145 2.027 -10.815 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.503 -0.243 -8.166 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.937 -0.478 -7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.763 1.095 -7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.562 1.753 -11.052 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.743 0.175 -11.133 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.589 0.663 -9.646 1.00 0.00 H new ATOM 834 N TRP A 54 1.892 -0.558 -8.350 1.00 0.00 N ATOM 835 CA TRP A 54 2.708 -1.438 -7.528 1.00 0.00 C ATOM 836 C TRP A 54 3.836 -0.658 -6.878 1.00 0.00 C ATOM 837 O TRP A 54 3.995 -0.685 -5.663 1.00 0.00 O ATOM 838 CB TRP A 54 3.299 -2.581 -8.357 1.00 0.00 C ATOM 839 CG TRP A 54 4.229 -3.445 -7.560 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.591 -3.341 -7.488 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.864 -4.528 -6.699 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.092 -4.300 -6.641 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.052 -5.041 -6.145 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.647 -5.116 -6.348 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.054 -6.109 -5.253 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.651 -6.175 -5.464 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.847 -6.664 -4.927 1.00 0.00 C ATOM 0 H TRP A 54 1.833 -0.828 -9.332 1.00 0.00 H new ATOM 0 HA TRP A 54 2.063 -1.861 -6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.490 -3.194 -8.755 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.835 -2.167 -9.211 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.185 -2.612 -8.019 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.078 -4.438 -6.418 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.719 -4.748 -6.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.975 -6.486 -4.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.715 -6.634 -5.182 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.817 -7.497 -4.241 1.00 0.00 H new ATOM 858 N ASN A 55 4.604 0.044 -7.698 1.00 0.00 N ATOM 859 CA ASN A 55 5.771 0.776 -7.222 1.00 0.00 C ATOM 860 C ASN A 55 5.371 1.828 -6.185 1.00 0.00 C ATOM 861 O ASN A 55 6.115 2.104 -5.245 1.00 0.00 O ATOM 862 CB ASN A 55 6.489 1.443 -8.397 1.00 0.00 C ATOM 863 CG ASN A 55 7.892 1.907 -8.042 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.390 2.893 -8.585 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.546 1.190 -7.144 1.00 0.00 N ATOM 0 H ASN A 55 4.440 0.123 -8.702 1.00 0.00 H new ATOM 0 HA ASN A 55 6.448 0.067 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.543 0.742 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.904 2.297 -8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.497 1.448 -6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.100 0.379 -6.716 1.00 0.00 H new ATOM 872 N LEU A 56 4.183 2.399 -6.364 1.00 0.00 N ATOM 873 CA LEU A 56 3.645 3.382 -5.431 1.00 0.00 C ATOM 874 C LEU A 56 3.299 2.737 -4.090 1.00 0.00 C ATOM 875 O LEU A 56 3.525 3.326 -3.032 1.00 0.00 O ATOM 876 CB LEU A 56 2.403 4.052 -6.031 1.00 0.00 C ATOM 877 CG LEU A 56 2.681 5.073 -7.136 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.377 5.627 -7.685 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.560 6.200 -6.614 1.00 0.00 C ATOM 0 H LEU A 56 3.571 2.195 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 56 4.410 4.138 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.750 3.277 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.855 4.548 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 56 3.212 4.570 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.592 6.352 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.780 4.813 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.822 6.114 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.747 6.916 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.056 6.702 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.508 5.790 -6.265 1.00 0.00 H new ATOM 891 N SER A 57 2.772 1.520 -4.141 1.00 0.00 N ATOM 892 CA SER A 57 2.336 0.818 -2.939 1.00 0.00 C ATOM 893 C SER A 57 3.461 -0.039 -2.357 1.00 0.00 C ATOM 894 O SER A 57 3.286 -0.690 -1.328 1.00 0.00 O ATOM 895 CB SER A 57 1.115 -0.053 -3.257 1.00 0.00 C ATOM 896 OG SER A 57 0.630 -0.703 -2.096 1.00 0.00 O ATOM 0 H SER A 57 2.636 0.996 -5.006 1.00 0.00 H new ATOM 0 HA SER A 57 2.062 1.562 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.327 0.565 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.382 -0.797 -4.008 1.00 0.00 H new ATOM 0 HG SER A 57 1.364 -0.823 -1.457 1.00 0.00 H new ATOM 902 N ASP A 58 4.607 -0.033 -3.017 1.00 0.00 N ATOM 903 CA ASP A 58 5.765 -0.791 -2.560 1.00 0.00 C ATOM 904 C ASP A 58 6.713 0.124 -1.797 1.00 0.00 C ATOM 905 O ASP A 58 7.494 0.864 -2.396 1.00 0.00 O ATOM 906 CB ASP A 58 6.477 -1.433 -3.761 1.00 0.00 C ATOM 907 CG ASP A 58 7.784 -2.111 -3.396 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.749 -3.175 -2.745 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.851 -1.578 -3.777 1.00 0.00 O ATOM 0 H ASP A 58 4.763 0.492 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 58 5.436 -1.585 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.812 -2.165 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.671 -0.666 -4.511 1.00 0.00 H new ATOM 914 N ILE A 59 6.598 0.125 -0.474 1.00 0.00 N ATOM 915 CA ILE A 59 7.448 0.967 0.348 1.00 0.00 C ATOM 916 C ILE A 59 8.655 0.194 0.880 1.00 0.00 C ATOM 917 O ILE A 59 9.775 0.715 0.898 1.00 0.00 O ATOM 918 CB ILE A 59 6.688 1.579 1.550 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.392 2.269 1.108 1.00 0.00 C ATOM 920 CG2 ILE A 59 7.579 2.577 2.278 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.209 1.338 0.954 1.00 0.00 C ATOM 0 H ILE A 59 5.929 -0.444 0.046 1.00 0.00 H new ATOM 0 HA ILE A 59 7.783 1.774 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 59 6.423 0.764 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.139 3.041 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.569 2.772 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.035 3.002 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.473 2.070 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.867 3.375 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.335 1.909 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.437 0.581 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.001 0.853 1.908 1.00 0.00 H new ATOM 933 N ASP A 60 8.439 -1.044 1.313 1.00 0.00 N ATOM 934 CA ASP A 60 9.510 -1.814 1.944 1.00 0.00 C ATOM 935 C ASP A 60 10.424 -2.430 0.890 1.00 0.00 C ATOM 936 O ASP A 60 11.560 -2.813 1.185 1.00 0.00 O ATOM 937 CB ASP A 60 8.939 -2.890 2.883 1.00 0.00 C ATOM 938 CG ASP A 60 8.464 -4.156 2.182 1.00 0.00 C ATOM 939 OD1 ASP A 60 7.972 -4.072 1.040 1.00 0.00 O ATOM 940 OD2 ASP A 60 8.595 -5.243 2.786 1.00 0.00 O ATOM 0 H ASP A 60 7.546 -1.532 1.241 1.00 0.00 H new ATOM 0 HA ASP A 60 10.106 -1.132 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.703 -3.159 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.104 -2.463 3.438 1.00 0.00 H new ATOM 945 N GLN A 61 9.909 -2.510 -0.337 1.00 0.00 N ATOM 946 CA GLN A 61 10.666 -2.974 -1.496 1.00 0.00 C ATOM 947 C GLN A 61 11.049 -4.443 -1.359 1.00 0.00 C ATOM 948 O GLN A 61 12.016 -4.911 -1.967 1.00 0.00 O ATOM 949 CB GLN A 61 11.905 -2.102 -1.724 1.00 0.00 C ATOM 950 CG GLN A 61 11.557 -0.660 -2.056 1.00 0.00 C ATOM 951 CD GLN A 61 12.755 0.168 -2.465 1.00 0.00 C ATOM 952 OE1 GLN A 61 13.878 -0.064 -2.013 1.00 0.00 O ATOM 953 NE2 GLN A 61 12.522 1.141 -3.332 1.00 0.00 N ATOM 0 H GLN A 61 8.946 -2.252 -0.555 1.00 0.00 H new ATOM 0 HA GLN A 61 10.022 -2.883 -2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.529 -2.124 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.497 -2.524 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.824 -0.647 -2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.085 -0.199 -1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.576 1.298 -3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.288 1.734 -3.651 1.00 0.00 H new ATOM 962 N ASP A 62 10.276 -5.170 -0.566 1.00 0.00 N ATOM 963 CA ASP A 62 10.447 -6.610 -0.447 1.00 0.00 C ATOM 964 C ASP A 62 9.464 -7.298 -1.384 1.00 0.00 C ATOM 965 O ASP A 62 9.592 -8.483 -1.697 1.00 0.00 O ATOM 966 CB ASP A 62 10.232 -7.055 1.005 1.00 0.00 C ATOM 967 CG ASP A 62 10.496 -8.530 1.238 1.00 0.00 C ATOM 968 OD1 ASP A 62 11.573 -9.022 0.839 1.00 0.00 O ATOM 969 OD2 ASP A 62 9.649 -9.196 1.867 1.00 0.00 O ATOM 0 H ASP A 62 9.523 -4.786 0.005 1.00 0.00 H new ATOM 0 HA ASP A 62 11.463 -6.888 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.885 -6.472 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.207 -6.828 1.297 1.00 0.00 H new ATOM 974 N GLY A 63 8.498 -6.518 -1.859 1.00 0.00 N ATOM 975 CA GLY A 63 7.548 -7.009 -2.831 1.00 0.00 C ATOM 976 C GLY A 63 6.386 -7.739 -2.198 1.00 0.00 C ATOM 977 O GLY A 63 5.856 -8.684 -2.777 1.00 0.00 O ATOM 0 H GLY A 63 8.359 -5.546 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.169 -6.172 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.057 -7.678 -3.524 1.00 0.00 H new ATOM 981 N LYS A 64 5.991 -7.313 -1.008 1.00 0.00 N ATOM 982 CA LYS A 64 4.867 -7.926 -0.321 1.00 0.00 C ATOM 983 C LYS A 64 3.944 -6.853 0.226 1.00 0.00 C ATOM 984 O LYS A 64 4.391 -5.908 0.866 1.00 0.00 O ATOM 985 CB LYS A 64 5.356 -8.837 0.807 1.00 0.00 C ATOM 986 CG LYS A 64 6.279 -9.943 0.320 1.00 0.00 C ATOM 987 CD LYS A 64 6.933 -10.685 1.470 1.00 0.00 C ATOM 988 CE LYS A 64 7.989 -11.655 0.968 1.00 0.00 C ATOM 989 NZ LYS A 64 8.850 -12.161 2.071 1.00 0.00 N ATOM 0 H LYS A 64 6.432 -6.547 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 64 4.313 -8.536 -1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.879 -8.236 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.495 -9.283 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.712 -10.646 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.050 -9.516 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.388 -9.970 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.175 -11.228 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.503 -12.496 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.610 -11.160 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.454 -12.930 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.448 -11.388 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.251 -12.519 2.842 1.00 0.00 H new ATOM 1003 N LEU A 65 2.660 -7.017 -0.032 1.00 0.00 N ATOM 1004 CA LEU A 65 1.670 -6.018 0.335 1.00 0.00 C ATOM 1005 C LEU A 65 0.895 -6.449 1.572 1.00 0.00 C ATOM 1006 O LEU A 65 0.222 -7.480 1.565 1.00 0.00 O ATOM 1007 CB LEU A 65 0.704 -5.777 -0.835 1.00 0.00 C ATOM 1008 CG LEU A 65 1.313 -5.084 -2.060 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.221 -4.648 -3.022 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.157 -3.891 -1.644 1.00 0.00 C ATOM 0 H LEU A 65 2.275 -7.839 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 65 2.192 -5.089 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.294 -6.737 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.131 -5.175 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 65 1.960 -5.800 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.671 -4.158 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.342 -5.521 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.450 -3.952 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.578 -3.416 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.534 -3.174 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.965 -4.226 -0.994 1.00 0.00 H new ATOM 1022 N THR A 66 1.009 -5.672 2.639 1.00 0.00 N ATOM 1023 CA THR A 66 0.243 -5.925 3.847 1.00 0.00 C ATOM 1024 C THR A 66 -1.227 -5.571 3.634 1.00 0.00 C ATOM 1025 O THR A 66 -1.644 -5.265 2.518 1.00 0.00 O ATOM 1026 CB THR A 66 0.785 -5.117 5.040 1.00 0.00 C ATOM 1027 OG1 THR A 66 0.840 -3.726 4.702 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.168 -5.598 5.452 1.00 0.00 C ATOM 0 H THR A 66 1.625 -4.861 2.691 1.00 0.00 H new ATOM 0 HA THR A 66 0.338 -6.988 4.071 1.00 0.00 H new ATOM 0 HB THR A 66 0.108 -5.265 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.719 -3.516 4.323 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.522 -5.007 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.117 -6.648 5.740 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.857 -5.484 4.615 1.00 0.00 H new ATOM 1036 N ALA A 67 -2.009 -5.604 4.704 1.00 0.00 N ATOM 1037 CA ALA A 67 -3.421 -5.263 4.616 1.00 0.00 C ATOM 1038 C ALA A 67 -3.586 -3.793 4.262 1.00 0.00 C ATOM 1039 O ALA A 67 -4.343 -3.441 3.360 1.00 0.00 O ATOM 1040 CB ALA A 67 -4.137 -5.586 5.919 1.00 0.00 C ATOM 0 H ALA A 67 -1.691 -5.862 5.638 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.873 -5.863 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.191 -5.323 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.046 -6.651 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.688 -5.015 6.732 1.00 0.00 H new ATOM 1046 N GLU A 68 -2.858 -2.947 4.972 1.00 0.00 N ATOM 1047 CA GLU A 68 -2.853 -1.517 4.711 1.00 0.00 C ATOM 1048 C GLU A 68 -2.386 -1.224 3.285 1.00 0.00 C ATOM 1049 O GLU A 68 -2.979 -0.407 2.582 1.00 0.00 O ATOM 1050 CB GLU A 68 -1.949 -0.799 5.720 1.00 0.00 C ATOM 1051 CG GLU A 68 -2.548 -0.654 7.119 1.00 0.00 C ATOM 1052 CD GLU A 68 -2.947 -1.973 7.759 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -2.175 -2.954 7.648 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -4.040 -2.034 8.366 1.00 0.00 O ATOM 0 H GLU A 68 -2.255 -3.231 5.744 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.872 -1.147 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.008 -1.343 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.713 0.193 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.825 -0.153 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.425 -0.009 7.063 1.00 0.00 H new ATOM 1061 N GLU A 69 -1.339 -1.911 2.847 1.00 0.00 N ATOM 1062 CA GLU A 69 -0.791 -1.681 1.515 1.00 0.00 C ATOM 1063 C GLU A 69 -1.760 -2.172 0.444 1.00 0.00 C ATOM 1064 O GLU A 69 -1.864 -1.581 -0.627 1.00 0.00 O ATOM 1065 CB GLU A 69 0.570 -2.355 1.372 1.00 0.00 C ATOM 1066 CG GLU A 69 1.653 -1.695 2.210 1.00 0.00 C ATOM 1067 CD GLU A 69 2.900 -2.541 2.331 1.00 0.00 C ATOM 1068 OE1 GLU A 69 2.810 -3.640 2.920 1.00 0.00 O ATOM 1069 OE2 GLU A 69 3.966 -2.110 1.854 1.00 0.00 O ATOM 0 H GLU A 69 -0.855 -2.627 3.389 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.653 -0.608 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.482 -3.402 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.869 -2.338 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.914 -0.734 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.261 -1.490 3.206 1.00 0.00 H new ATOM 1076 N PHE A 70 -2.480 -3.243 0.749 1.00 0.00 N ATOM 1077 CA PHE A 70 -3.544 -3.729 -0.123 1.00 0.00 C ATOM 1078 C PHE A 70 -4.588 -2.630 -0.326 1.00 0.00 C ATOM 1079 O PHE A 70 -4.999 -2.342 -1.455 1.00 0.00 O ATOM 1080 CB PHE A 70 -4.186 -4.981 0.490 1.00 0.00 C ATOM 1081 CG PHE A 70 -5.336 -5.555 -0.297 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -6.592 -4.972 -0.239 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -5.167 -6.692 -1.073 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -7.653 -5.507 -0.934 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -6.230 -7.232 -1.777 1.00 0.00 C ATOM 1086 CZ PHE A 70 -7.477 -6.637 -1.707 1.00 0.00 C ATOM 0 H PHE A 70 -2.347 -3.795 1.597 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.126 -3.994 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.420 -5.749 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.537 -4.738 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.740 -4.086 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.196 -7.161 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.626 -5.041 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.086 -8.116 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.309 -7.055 -2.255 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.997 -2.010 0.779 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.958 -0.913 0.745 1.00 0.00 C ATOM 1098 C ILE A 71 -5.419 0.239 -0.100 1.00 0.00 C ATOM 1099 O ILE A 71 -6.134 0.802 -0.929 1.00 0.00 O ATOM 1100 CB ILE A 71 -6.267 -0.390 2.166 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.772 -1.527 3.057 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -7.294 0.732 2.110 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.916 -1.141 4.514 1.00 0.00 C ATOM 0 H ILE A 71 -4.674 -2.252 1.716 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.877 -1.299 0.304 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.345 0.004 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.738 -1.868 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.085 -2.370 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.499 1.088 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.904 1.553 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.215 0.360 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.278 -1.997 5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.948 -0.829 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.626 -0.319 4.604 1.00 0.00 H new ATOM 1115 N LEU A 72 -4.154 0.577 0.122 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.503 1.650 -0.618 1.00 0.00 C ATOM 1117 C LEU A 72 -3.469 1.338 -2.110 1.00 0.00 C ATOM 1118 O LEU A 72 -3.840 2.175 -2.936 1.00 0.00 O ATOM 1119 CB LEU A 72 -2.077 1.866 -0.097 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.300 3.004 -0.765 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.972 4.342 -0.497 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.140 3.019 -0.272 1.00 0.00 C ATOM 0 H LEU A 72 -3.557 0.121 0.812 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.080 2.563 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.125 2.061 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.516 0.940 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.296 2.836 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.405 5.137 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.986 4.326 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.007 4.523 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.681 3.833 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.153 3.165 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.618 2.070 -0.516 1.00 0.00 H new ATOM 1134 N ALA A 73 -3.039 0.125 -2.446 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.954 -0.312 -3.833 1.00 0.00 C ATOM 1136 C ALA A 73 -4.314 -0.249 -4.516 1.00 0.00 C ATOM 1137 O ALA A 73 -4.455 0.361 -5.573 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.384 -1.723 -3.913 1.00 0.00 C ATOM 0 H ALA A 73 -2.742 -0.577 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.283 0.368 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.327 -2.034 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.386 -1.738 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.031 -2.408 -3.365 1.00 0.00 H new ATOM 1144 N MET A 74 -5.326 -0.859 -3.907 1.00 0.00 N ATOM 1145 CA MET A 74 -6.657 -0.869 -4.505 1.00 0.00 C ATOM 1146 C MET A 74 -7.280 0.519 -4.493 1.00 0.00 C ATOM 1147 O MET A 74 -8.187 0.801 -5.271 1.00 0.00 O ATOM 1148 CB MET A 74 -7.585 -1.871 -3.819 1.00 0.00 C ATOM 1149 CG MET A 74 -7.272 -3.317 -4.165 1.00 0.00 C ATOM 1150 SD MET A 74 -8.685 -4.411 -3.919 1.00 0.00 S ATOM 1151 CE MET A 74 -9.847 -3.732 -5.102 1.00 0.00 C ATOM 0 H MET A 74 -5.253 -1.346 -3.014 1.00 0.00 H new ATOM 0 HA MET A 74 -6.532 -1.184 -5.541 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.515 -1.740 -2.739 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.615 -1.653 -4.100 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.948 -3.376 -5.204 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.439 -3.661 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.500 -4.525 -5.467 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.448 -2.961 -4.620 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.301 -3.297 -5.939 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.796 1.388 -3.617 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.230 2.778 -3.620 1.00 0.00 C ATOM 1163 C HIS A 75 -6.713 3.471 -4.873 1.00 0.00 C ATOM 1164 O HIS A 75 -7.372 4.348 -5.421 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.754 3.517 -2.365 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.215 4.946 -2.292 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.547 5.313 -2.285 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.510 6.105 -2.236 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.639 6.630 -2.222 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.421 7.130 -2.191 1.00 0.00 N ATOM 0 H HIS A 75 -6.108 1.158 -2.900 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.320 2.798 -3.618 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.111 2.984 -1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.665 3.494 -2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.434 6.202 -2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.557 7.199 -2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.191 8.123 -2.141 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.529 3.072 -5.314 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.958 3.589 -6.550 1.00 0.00 C ATOM 1181 C LEU A 76 -5.781 3.115 -7.748 1.00 0.00 C ATOM 1182 O LEU A 76 -5.991 3.863 -8.703 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.499 3.146 -6.679 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.570 3.675 -5.582 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.176 3.089 -5.728 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.509 5.196 -5.614 1.00 0.00 C ATOM 0 H LEU A 76 -4.943 2.390 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.984 4.678 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.462 2.057 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.119 3.472 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.976 3.365 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.533 3.478 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.228 2.003 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.765 3.365 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.844 5.550 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.132 5.525 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.507 5.604 -5.456 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.258 1.871 -7.682 1.00 0.00 N ATOM 1199 CA ILE A 77 -7.190 1.355 -8.685 1.00 0.00 C ATOM 1200 C ILE A 77 -8.503 2.136 -8.620 1.00 0.00 C ATOM 1201 O ILE A 77 -9.072 2.496 -9.646 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.471 -0.167 -8.505 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -6.330 -1.016 -9.077 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.783 -0.567 -9.165 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -5.059 -0.971 -8.264 1.00 0.00 C ATOM 0 H ILE A 77 -6.016 1.205 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.724 1.486 -9.662 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.544 -0.353 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.664 -2.051 -9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.112 -0.677 -10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.951 -1.634 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.602 -0.007 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.736 -0.346 -10.231 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.303 -1.598 -8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.698 0.056 -8.210 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.258 -1.339 -7.257 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.959 2.402 -7.399 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.166 3.199 -7.157 1.00 0.00 C ATOM 1219 C ASP A 78 -10.049 4.574 -7.815 1.00 0.00 C ATOM 1220 O ASP A 78 -11.010 5.093 -8.386 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.383 3.338 -5.642 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.563 4.217 -5.265 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.693 3.946 -5.720 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.363 5.174 -4.481 1.00 0.00 O ATOM 0 H ASP A 78 -8.505 2.073 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.025 2.694 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.530 2.346 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.479 3.748 -5.192 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.855 5.148 -7.741 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.563 6.418 -8.395 1.00 0.00 C ATOM 1231 C VAL A 79 -8.600 6.269 -9.919 1.00 0.00 C ATOM 1232 O VAL A 79 -9.278 7.030 -10.614 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.182 6.961 -7.956 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.816 8.220 -8.718 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.163 7.231 -6.460 1.00 0.00 C ATOM 0 H VAL A 79 -8.067 4.750 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.332 7.129 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.439 6.197 -8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.841 8.576 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.779 8.001 -9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.565 8.989 -8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.183 7.612 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.926 7.969 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.366 6.306 -5.921 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.885 5.271 -10.430 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.821 5.022 -11.868 1.00 0.00 C ATOM 1247 C ALA A 80 -9.198 4.687 -12.438 1.00 0.00 C ATOM 1248 O ALA A 80 -9.552 5.127 -13.530 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.841 3.900 -12.165 1.00 0.00 C ATOM 0 H ALA A 80 -7.339 4.618 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.473 5.935 -12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.803 3.725 -13.240 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.850 4.179 -11.808 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.166 2.990 -11.660 1.00 0.00 H new ATOM 1255 N MET A 81 -9.972 3.919 -11.677 1.00 0.00 N ATOM 1256 CA MET A 81 -11.326 3.532 -12.068 1.00 0.00 C ATOM 1257 C MET A 81 -12.228 4.749 -12.223 1.00 0.00 C ATOM 1258 O MET A 81 -13.220 4.711 -12.952 1.00 0.00 O ATOM 1259 CB MET A 81 -11.922 2.585 -11.026 1.00 0.00 C ATOM 1260 CG MET A 81 -12.065 1.151 -11.504 1.00 0.00 C ATOM 1261 SD MET A 81 -13.367 0.964 -12.738 1.00 0.00 S ATOM 1262 CE MET A 81 -13.332 -0.808 -13.004 1.00 0.00 C ATOM 0 H MET A 81 -9.680 3.547 -10.773 1.00 0.00 H new ATOM 0 HA MET A 81 -11.263 3.026 -13.032 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.293 2.599 -10.136 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.903 2.958 -10.730 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.118 0.815 -11.926 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.281 0.507 -10.652 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.084 -1.080 -13.745 1.00 0.00 H new ATOM 0 HE2 MET A 81 -12.346 -1.103 -13.363 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.544 -1.321 -12.066 1.00 0.00 H new ATOM 1272 N SER A 82 -11.882 5.826 -11.534 1.00 0.00 N ATOM 1273 CA SER A 82 -12.658 7.054 -11.599 1.00 0.00 C ATOM 1274 C SER A 82 -12.217 7.899 -12.795 1.00 0.00 C ATOM 1275 O SER A 82 -12.785 8.957 -13.068 1.00 0.00 O ATOM 1276 CB SER A 82 -12.501 7.836 -10.290 1.00 0.00 C ATOM 1277 OG SER A 82 -13.460 8.876 -10.186 1.00 0.00 O ATOM 0 H SER A 82 -11.067 5.874 -10.922 1.00 0.00 H new ATOM 0 HA SER A 82 -13.711 6.806 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.607 7.156 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.498 8.258 -10.236 1.00 0.00 H new ATOM 0 HG SER A 82 -13.608 9.274 -11.069 1.00 0.00 H new ATOM 1283 N GLY A 83 -11.209 7.417 -13.514 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.728 8.118 -14.687 1.00 0.00 C ATOM 1285 C GLY A 83 -9.588 9.061 -14.369 1.00 0.00 C ATOM 1286 O GLY A 83 -9.174 9.856 -15.212 1.00 0.00 O ATOM 0 H GLY A 83 -10.716 6.550 -13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.399 7.392 -15.431 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.548 8.681 -15.132 1.00 0.00 H new ATOM 1290 N GLN A 84 -9.072 8.965 -13.154 1.00 0.00 N ATOM 1291 CA GLN A 84 -8.013 9.843 -12.705 1.00 0.00 C ATOM 1292 C GLN A 84 -6.644 9.243 -13.009 1.00 0.00 C ATOM 1293 O GLN A 84 -6.478 8.020 -12.997 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.150 10.096 -11.205 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.486 10.701 -10.799 1.00 0.00 C ATOM 1296 CD GLN A 84 -9.759 12.026 -11.482 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.365 12.077 -12.551 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.309 13.106 -10.869 1.00 0.00 N ATOM 0 H GLN A 84 -9.375 8.282 -12.460 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.099 10.789 -13.240 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.013 9.154 -10.674 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.349 10.762 -10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.286 10.001 -11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.502 10.844 -9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.811 13.019 -9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.460 14.027 -11.282 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.657 10.097 -13.312 1.00 0.00 N ATOM 1308 CA PRO A 85 -4.284 9.660 -13.561 1.00 0.00 C ATOM 1309 C PRO A 85 -3.515 9.389 -12.268 1.00 0.00 C ATOM 1310 O PRO A 85 -4.039 9.581 -11.169 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.678 10.849 -14.305 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.414 12.033 -13.782 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.805 11.559 -13.453 1.00 0.00 C ATOM 0 HA PRO A 85 -4.243 8.721 -14.113 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.608 10.932 -14.115 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.804 10.748 -15.383 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.922 12.436 -12.897 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.441 12.832 -14.523 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.175 12.014 -12.534 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.512 11.815 -14.243 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.269 8.958 -12.405 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.435 8.645 -11.253 1.00 0.00 C ATOM 1323 C LEU A 86 -0.287 9.641 -11.138 1.00 0.00 C ATOM 1324 O LEU A 86 0.238 10.111 -12.148 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.882 7.222 -11.372 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.937 6.118 -11.429 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -1.278 4.772 -11.663 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.761 6.090 -10.147 1.00 0.00 C ATOM 0 H LEU A 86 -1.812 8.817 -13.306 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.048 8.714 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.267 7.162 -12.270 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.225 7.032 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.609 6.329 -12.261 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.041 3.995 -11.701 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.733 4.793 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.585 4.560 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.506 5.296 -10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.105 5.905 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.263 7.049 -10.016 1.00 0.00 H new ATOM 1340 N PRO A 87 0.100 9.991 -9.902 1.00 0.00 N ATOM 1341 CA PRO A 87 1.226 10.882 -9.643 1.00 0.00 C ATOM 1342 C PRO A 87 2.567 10.148 -9.738 1.00 0.00 C ATOM 1343 O PRO A 87 2.636 8.941 -9.511 1.00 0.00 O ATOM 1344 CB PRO A 87 0.991 11.359 -8.196 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.281 10.714 -7.737 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.536 9.557 -8.657 1.00 0.00 C ATOM 0 HA PRO A 87 1.277 11.693 -10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.824 11.074 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.912 12.445 -8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.192 10.375 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.108 11.423 -7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.097 8.634 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.602 9.372 -8.790 1.00 0.00 H new ATOM 1354 N PRO A 88 3.649 10.869 -10.066 1.00 0.00 N ATOM 1355 CA PRO A 88 4.996 10.296 -10.116 1.00 0.00 C ATOM 1356 C PRO A 88 5.555 10.065 -8.717 1.00 0.00 C ATOM 1357 O PRO A 88 6.188 9.046 -8.440 1.00 0.00 O ATOM 1358 CB PRO A 88 5.826 11.357 -10.856 1.00 0.00 C ATOM 1359 CG PRO A 88 4.851 12.387 -11.328 1.00 0.00 C ATOM 1360 CD PRO A 88 3.652 12.287 -10.432 1.00 0.00 C ATOM 0 HA PRO A 88 5.009 9.323 -10.608 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.572 11.799 -10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.364 10.916 -11.695 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.288 13.384 -11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.574 12.210 -12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.743 12.932 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.735 12.576 -10.946 1.00 0.00 H new ATOM 1368 N VAL A 89 5.316 11.029 -7.844 1.00 0.00 N ATOM 1369 CA VAL A 89 5.706 10.922 -6.449 1.00 0.00 C ATOM 1370 C VAL A 89 4.449 10.868 -5.595 1.00 0.00 C ATOM 1371 O VAL A 89 3.423 11.444 -5.961 1.00 0.00 O ATOM 1372 CB VAL A 89 6.577 12.117 -5.997 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.232 11.839 -4.653 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.620 12.460 -7.052 1.00 0.00 C ATOM 0 H VAL A 89 4.848 11.904 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 89 6.300 10.016 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 89 5.923 12.981 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.838 12.696 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.462 11.665 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.866 10.956 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.220 13.304 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.267 11.599 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.121 12.724 -7.985 1.00 0.00 H new ATOM 1384 N LEU A 90 4.526 10.186 -4.470 1.00 0.00 N ATOM 1385 CA LEU A 90 3.377 10.025 -3.599 1.00 0.00 C ATOM 1386 C LEU A 90 3.576 10.859 -2.339 1.00 0.00 C ATOM 1387 O LEU A 90 4.694 10.957 -1.830 1.00 0.00 O ATOM 1388 CB LEU A 90 3.219 8.541 -3.239 1.00 0.00 C ATOM 1389 CG LEU A 90 1.871 8.136 -2.637 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.768 8.269 -3.674 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.934 6.714 -2.100 1.00 0.00 C ATOM 0 H LEU A 90 5.376 9.732 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 90 2.474 10.365 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.385 7.950 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.005 8.273 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 90 1.646 8.805 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.185 7.978 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.710 9.303 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.987 7.621 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.968 6.442 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.179 6.029 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.700 6.650 -1.327 1.00 0.00 H new ATOM 1403 N PRO A 91 2.506 11.484 -1.825 1.00 0.00 N ATOM 1404 CA PRO A 91 2.576 12.260 -0.587 1.00 0.00 C ATOM 1405 C PRO A 91 2.715 11.368 0.648 1.00 0.00 C ATOM 1406 O PRO A 91 2.238 10.229 0.661 1.00 0.00 O ATOM 1407 CB PRO A 91 1.235 13.013 -0.554 1.00 0.00 C ATOM 1408 CG PRO A 91 0.629 12.827 -1.905 1.00 0.00 C ATOM 1409 CD PRO A 91 1.167 11.529 -2.422 1.00 0.00 C ATOM 0 HA PRO A 91 3.447 12.916 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.583 12.616 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.386 14.070 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.459 12.802 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.893 13.651 -2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.555 10.683 -2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.207 11.510 -3.511 1.00 0.00 H new ATOM 1417 N PRO A 92 3.351 11.890 1.711 1.00 0.00 N ATOM 1418 CA PRO A 92 3.555 11.159 2.969 1.00 0.00 C ATOM 1419 C PRO A 92 2.252 10.781 3.657 1.00 0.00 C ATOM 1420 O PRO A 92 2.216 9.849 4.461 1.00 0.00 O ATOM 1421 CB PRO A 92 4.346 12.140 3.841 1.00 0.00 C ATOM 1422 CG PRO A 92 4.948 13.108 2.885 1.00 0.00 C ATOM 1423 CD PRO A 92 3.967 13.225 1.756 1.00 0.00 C ATOM 0 HA PRO A 92 4.065 10.212 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.696 12.644 4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.115 11.625 4.417 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.116 14.075 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.916 12.756 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 92 3.228 14.004 1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.461 13.473 0.817 1.00 0.00 H new ATOM 1431 N GLU A 93 1.180 11.504 3.349 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.123 11.216 3.935 1.00 0.00 C ATOM 1433 C GLU A 93 -0.654 9.866 3.461 1.00 0.00 C ATOM 1434 O GLU A 93 -1.526 9.283 4.092 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.145 12.306 3.597 1.00 0.00 C ATOM 1436 CG GLU A 93 -0.715 13.708 3.995 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.069 14.467 2.857 1.00 0.00 C ATOM 1438 OE1 GLU A 93 1.019 14.062 2.405 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -0.649 15.480 2.409 1.00 0.00 O ATOM 0 H GLU A 93 1.188 12.290 2.700 1.00 0.00 H new ATOM 0 HA GLU A 93 0.017 11.188 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.337 12.288 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.087 12.072 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.584 14.263 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.015 13.646 4.828 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.128 9.371 2.352 1.00 0.00 N ATOM 1447 CA TYR A 94 -0.572 8.094 1.808 1.00 0.00 C ATOM 1448 C TYR A 94 0.347 6.966 2.265 1.00 0.00 C ATOM 1449 O TYR A 94 0.173 5.812 1.874 1.00 0.00 O ATOM 1450 CB TYR A 94 -0.620 8.152 0.279 1.00 0.00 C ATOM 1451 CG TYR A 94 -1.734 9.021 -0.266 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -1.664 10.406 -0.189 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -2.854 8.452 -0.859 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -2.679 11.200 -0.686 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -3.873 9.239 -1.359 1.00 0.00 C ATOM 1456 CZ TYR A 94 -3.782 10.612 -1.270 1.00 0.00 C ATOM 1457 OH TYR A 94 -4.794 11.399 -1.771 1.00 0.00 O ATOM 0 H TYR A 94 0.604 9.831 1.811 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.576 7.894 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.334 8.527 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.738 7.141 -0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.802 10.870 0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.929 7.377 -0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.610 12.276 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.737 8.781 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.495 10.828 -2.149 1.00 0.00 H new ATOM 1467 N ILE A 95 1.316 7.305 3.105 1.00 0.00 N ATOM 1468 CA ILE A 95 2.261 6.325 3.616 1.00 0.00 C ATOM 1469 C ILE A 95 1.839 5.858 5.008 1.00 0.00 C ATOM 1470 O ILE A 95 1.725 6.669 5.928 1.00 0.00 O ATOM 1471 CB ILE A 95 3.693 6.905 3.678 1.00 0.00 C ATOM 1472 CG1 ILE A 95 4.128 7.388 2.290 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.670 5.866 4.216 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.500 8.023 2.270 1.00 0.00 C ATOM 0 H ILE A 95 1.467 8.254 3.447 1.00 0.00 H new ATOM 0 HA ILE A 95 2.261 5.477 2.931 1.00 0.00 H new ATOM 0 HB ILE A 95 3.695 7.756 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.118 6.543 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.398 8.109 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.672 6.293 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.367 5.567 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.671 4.994 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.739 8.340 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.510 8.889 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.241 7.299 2.608 1.00 0.00 H new ATOM 1486 N PRO A 96 1.588 4.547 5.174 1.00 0.00 N ATOM 1487 CA PRO A 96 1.166 3.975 6.460 1.00 0.00 C ATOM 1488 C PRO A 96 2.168 4.249 7.588 1.00 0.00 C ATOM 1489 O PRO A 96 3.364 4.424 7.339 1.00 0.00 O ATOM 1490 CB PRO A 96 1.084 2.470 6.175 1.00 0.00 C ATOM 1491 CG PRO A 96 0.916 2.367 4.699 1.00 0.00 C ATOM 1492 CD PRO A 96 1.681 3.522 4.118 1.00 0.00 C ATOM 0 HA PRO A 96 0.228 4.412 6.804 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.986 1.956 6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.245 2.014 6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.300 1.417 4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.137 2.416 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.716 3.254 3.906 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.242 3.866 3.182 1.00 0.00 H new ATOM 1500 N PRO A 97 1.685 4.261 8.849 1.00 0.00 N ATOM 1501 CA PRO A 97 2.513 4.554 10.034 1.00 0.00 C ATOM 1502 C PRO A 97 3.709 3.619 10.161 1.00 0.00 C ATOM 1503 O PRO A 97 4.761 3.997 10.680 1.00 0.00 O ATOM 1504 CB PRO A 97 1.553 4.343 11.214 1.00 0.00 C ATOM 1505 CG PRO A 97 0.401 3.579 10.657 1.00 0.00 C ATOM 1506 CD PRO A 97 0.287 3.997 9.222 1.00 0.00 C ATOM 0 HA PRO A 97 2.937 5.557 9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.037 3.792 12.020 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.227 5.296 11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.568 2.505 10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.516 3.801 11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.155 3.214 8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.337 4.883 9.107 1.00 0.00 H new ATOM 1514 N SER A 98 3.533 2.402 9.675 1.00 0.00 N ATOM 1515 CA SER A 98 4.580 1.390 9.693 1.00 0.00 C ATOM 1516 C SER A 98 5.826 1.866 8.943 1.00 0.00 C ATOM 1517 O SER A 98 6.942 1.438 9.233 1.00 0.00 O ATOM 1518 CB SER A 98 4.049 0.106 9.058 1.00 0.00 C ATOM 1519 OG SER A 98 2.760 -0.199 9.559 1.00 0.00 O ATOM 0 H SER A 98 2.659 2.085 9.256 1.00 0.00 H new ATOM 0 HA SER A 98 4.865 1.203 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.007 0.219 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.731 -0.719 9.266 1.00 0.00 H new ATOM 0 HG SER A 98 2.433 -1.023 9.141 1.00 0.00 H new ATOM 1525 N PHE A 99 5.629 2.771 7.995 1.00 0.00 N ATOM 1526 CA PHE A 99 6.715 3.247 7.156 1.00 0.00 C ATOM 1527 C PHE A 99 7.035 4.708 7.462 1.00 0.00 C ATOM 1528 O PHE A 99 7.562 5.431 6.618 1.00 0.00 O ATOM 1529 CB PHE A 99 6.340 3.081 5.685 1.00 0.00 C ATOM 1530 CG PHE A 99 5.974 1.671 5.319 1.00 0.00 C ATOM 1531 CD1 PHE A 99 6.954 0.700 5.189 1.00 0.00 C ATOM 1532 CD2 PHE A 99 4.652 1.317 5.113 1.00 0.00 C ATOM 1533 CE1 PHE A 99 6.621 -0.598 4.857 1.00 0.00 C ATOM 1534 CE2 PHE A 99 4.313 0.020 4.783 1.00 0.00 C ATOM 1535 CZ PHE A 99 5.299 -0.938 4.653 1.00 0.00 C ATOM 0 H PHE A 99 4.723 3.191 7.789 1.00 0.00 H new ATOM 0 HA PHE A 99 7.606 2.655 7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.501 3.738 5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.177 3.404 5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.990 0.961 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.877 2.063 5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.394 -1.346 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.278 -0.245 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.036 -1.952 4.392 1.00 0.00 H new ATOM 1545 N ARG A 100 6.716 5.137 8.675 1.00 0.00 N ATOM 1546 CA ARG A 100 6.996 6.503 9.097 1.00 0.00 C ATOM 1547 C ARG A 100 8.306 6.581 9.871 1.00 0.00 C ATOM 1548 O ARG A 100 9.088 7.513 9.692 1.00 0.00 O ATOM 1549 CB ARG A 100 5.845 7.048 9.940 1.00 0.00 C ATOM 1550 CG ARG A 100 4.548 7.232 9.161 1.00 0.00 C ATOM 1551 CD ARG A 100 4.616 8.406 8.191 1.00 0.00 C ATOM 1552 NE ARG A 100 5.638 8.233 7.155 1.00 0.00 N ATOM 1553 CZ ARG A 100 6.271 9.246 6.562 1.00 0.00 C ATOM 1554 NH1 ARG A 100 5.937 10.500 6.850 1.00 0.00 N ATOM 1555 NH2 ARG A 100 7.221 9.001 5.666 1.00 0.00 N ATOM 0 H ARG A 100 6.264 4.560 9.384 1.00 0.00 H new ATOM 0 HA ARG A 100 7.096 7.118 8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.664 6.370 10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.141 8.006 10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.327 6.319 8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.726 7.388 9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.643 8.535 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.822 9.320 8.749 1.00 0.00 H new ATOM 0 HE ARG A 100 5.879 7.283 6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.196 10.688 7.525 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.422 11.274 6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.466 8.039 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.706 9.775 5.212 1.00 0.00 H new ATOM 1569 N ARG A 101 8.553 5.593 10.718 1.00 0.00 N ATOM 1570 CA ARG A 101 9.761 5.578 11.538 1.00 0.00 C ATOM 1571 C ARG A 101 10.758 4.546 11.022 1.00 0.00 C ATOM 1572 O ARG A 101 11.696 4.175 11.724 1.00 0.00 O ATOM 1573 CB ARG A 101 9.414 5.256 12.991 1.00 0.00 C ATOM 1574 CG ARG A 101 8.543 6.299 13.671 1.00 0.00 C ATOM 1575 CD ARG A 101 9.267 7.627 13.823 1.00 0.00 C ATOM 1576 NE ARG A 101 8.470 8.596 14.575 1.00 0.00 N ATOM 1577 CZ ARG A 101 8.791 9.878 14.725 1.00 0.00 C ATOM 1578 NH1 ARG A 101 9.909 10.358 14.193 1.00 0.00 N ATOM 1579 NH2 ARG A 101 7.994 10.675 15.425 1.00 0.00 N ATOM 0 H ARG A 101 7.937 4.792 10.857 1.00 0.00 H new ATOM 0 HA ARG A 101 10.213 6.568 11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.903 4.294 13.026 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.339 5.146 13.558 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.632 6.446 13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.240 5.936 14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.218 7.467 14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.496 8.031 12.837 1.00 0.00 H new ATOM 0 HE ARG A 101 7.610 8.266 15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.528 9.742 13.665 1.00 0.00 H new ATOM 0 HH12 ARG A 101 10.149 11.342 14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 101 7.141 10.303 15.844 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.234 11.659 15.544 1.00 0.00 H new ATOM 1593 N VAL A 102 10.570 4.099 9.787 1.00 0.00 N ATOM 1594 CA VAL A 102 11.372 3.002 9.252 1.00 0.00 C ATOM 1595 C VAL A 102 12.671 3.514 8.616 1.00 0.00 C ATOM 1596 O VAL A 102 13.478 2.732 8.112 1.00 0.00 O ATOM 1597 CB VAL A 102 10.556 2.177 8.224 1.00 0.00 C ATOM 1598 CG1 VAL A 102 10.343 2.966 6.938 1.00 0.00 C ATOM 1599 CG2 VAL A 102 11.215 0.835 7.940 1.00 0.00 C ATOM 0 H VAL A 102 9.876 4.474 9.140 1.00 0.00 H new ATOM 0 HA VAL A 102 11.640 2.354 10.086 1.00 0.00 H new ATOM 0 HB VAL A 102 9.578 1.976 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.768 2.365 6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.799 3.884 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.309 3.214 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.617 0.282 7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.214 0.998 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.286 0.262 8.864 1.00 0.00 H new ATOM 1609 N ARG A 103 12.877 4.826 8.711 1.00 0.00 N ATOM 1610 CA ARG A 103 14.065 5.499 8.167 1.00 0.00 C ATOM 1611 C ARG A 103 14.272 5.199 6.677 1.00 0.00 C ATOM 1612 O ARG A 103 14.741 4.128 6.302 1.00 0.00 O ATOM 1613 CB ARG A 103 15.319 5.105 8.961 1.00 0.00 C ATOM 1614 CG ARG A 103 16.599 5.706 8.409 1.00 0.00 C ATOM 1615 CD ARG A 103 17.814 5.246 9.191 1.00 0.00 C ATOM 1616 NE ARG A 103 19.062 5.601 8.515 1.00 0.00 N ATOM 1617 CZ ARG A 103 20.255 5.606 9.103 1.00 0.00 C ATOM 1618 NH1 ARG A 103 20.370 5.329 10.396 1.00 0.00 N ATOM 1619 NH2 ARG A 103 21.338 5.907 8.401 1.00 0.00 N ATOM 0 H ARG A 103 12.223 5.460 9.170 1.00 0.00 H new ATOM 0 HA ARG A 103 13.896 6.571 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 103 15.197 5.420 9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.410 4.019 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 103 16.712 5.425 7.362 1.00 0.00 H new ATOM 0 HG3 ARG A 103 16.535 6.794 8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 103 17.798 5.695 10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 103 17.770 4.166 9.329 1.00 0.00 H new ATOM 0 HE ARG A 103 19.014 5.861 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 103 19.540 5.110 10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 103 21.289 5.335 10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 103 21.256 6.135 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 103 22.253 5.911 8.852 1.00 0.00 H new ATOM 1633 N LEU A 104 13.931 6.156 5.828 1.00 0.00 N ATOM 1634 CA LEU A 104 14.109 5.990 4.392 1.00 0.00 C ATOM 1635 C LEU A 104 15.062 7.042 3.846 1.00 0.00 C ATOM 1636 O LEU A 104 14.713 8.222 3.751 1.00 0.00 O ATOM 1637 CB LEU A 104 12.761 6.069 3.669 1.00 0.00 C ATOM 1638 CG LEU A 104 11.775 4.946 3.998 1.00 0.00 C ATOM 1639 CD1 LEU A 104 10.453 5.169 3.278 1.00 0.00 C ATOM 1640 CD2 LEU A 104 12.364 3.593 3.622 1.00 0.00 C ATOM 0 H LEU A 104 13.531 7.052 6.106 1.00 0.00 H new ATOM 0 HA LEU A 104 14.541 5.005 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.293 7.023 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.943 6.067 2.594 1.00 0.00 H new ATOM 0 HG LEU A 104 11.588 4.955 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.764 4.361 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.023 6.120 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.623 5.186 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.650 2.806 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.579 3.574 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.286 3.430 4.180 1.00 0.00 H new ATOM 1652 N GLU A 105 16.269 6.612 3.498 1.00 0.00 N ATOM 1653 CA GLU A 105 17.267 7.513 2.945 1.00 0.00 C ATOM 1654 C GLU A 105 17.078 7.629 1.435 1.00 0.00 C ATOM 1655 O GLU A 105 17.801 7.013 0.648 1.00 0.00 O ATOM 1656 CB GLU A 105 18.683 7.024 3.268 1.00 0.00 C ATOM 1657 CG GLU A 105 18.921 6.780 4.749 1.00 0.00 C ATOM 1658 CD GLU A 105 20.338 6.332 5.046 1.00 0.00 C ATOM 1659 OE1 GLU A 105 20.821 5.385 4.390 1.00 0.00 O ATOM 1660 OE2 GLU A 105 20.975 6.915 5.954 1.00 0.00 O ATOM 0 H GLU A 105 16.578 5.644 3.590 1.00 0.00 H new ATOM 0 HA GLU A 105 17.138 8.496 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 105 18.873 6.100 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.403 7.760 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.710 7.695 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.222 6.023 5.106 1.00 0.00 H new ATOM 1667 N HIS A 106 16.076 8.397 1.033 1.00 0.00 N ATOM 1668 CA HIS A 106 15.741 8.544 -0.375 1.00 0.00 C ATOM 1669 C HIS A 106 16.493 9.731 -0.973 1.00 0.00 C ATOM 1670 O HIS A 106 15.891 10.707 -1.417 1.00 0.00 O ATOM 1671 CB HIS A 106 14.225 8.723 -0.537 1.00 0.00 C ATOM 1672 CG HIS A 106 13.723 8.570 -1.947 1.00 0.00 C ATOM 1673 ND1 HIS A 106 12.383 8.528 -2.273 1.00 0.00 N ATOM 1674 CD2 HIS A 106 14.391 8.447 -3.120 1.00 0.00 C ATOM 1675 CE1 HIS A 106 12.254 8.385 -3.578 1.00 0.00 C ATOM 1676 NE2 HIS A 106 13.456 8.333 -4.116 1.00 0.00 N ATOM 0 H HIS A 106 15.479 8.930 1.665 1.00 0.00 H new ATOM 0 HA HIS A 106 16.042 7.643 -0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 106 13.717 7.996 0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 106 13.948 9.712 -0.172 1.00 0.00 H new ATOM 0 HD2 HIS A 106 15.464 8.440 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.320 8.321 -4.116 1.00 0.00 H new ATOM 0 HE2 HIS A 106 13.657 8.226 -5.110 1.00 0.00 H new ATOM 1685 N HIS A 107 17.814 9.634 -0.976 1.00 0.00 N ATOM 1686 CA HIS A 107 18.656 10.696 -1.513 1.00 0.00 C ATOM 1687 C HIS A 107 18.858 10.503 -3.017 1.00 0.00 C ATOM 1688 O HIS A 107 19.442 11.347 -3.698 1.00 0.00 O ATOM 1689 CB HIS A 107 20.002 10.715 -0.775 1.00 0.00 C ATOM 1690 CG HIS A 107 20.910 11.846 -1.172 1.00 0.00 C ATOM 1691 ND1 HIS A 107 22.199 11.655 -1.622 1.00 0.00 N ATOM 1692 CD2 HIS A 107 20.710 13.187 -1.178 1.00 0.00 C ATOM 1693 CE1 HIS A 107 22.750 12.823 -1.889 1.00 0.00 C ATOM 1694 NE2 HIS A 107 21.869 13.767 -1.630 1.00 0.00 N ATOM 0 H HIS A 107 18.328 8.831 -0.613 1.00 0.00 H new ATOM 0 HA HIS A 107 18.164 11.657 -1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.814 10.775 0.297 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.516 9.771 -0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.808 13.702 -0.883 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.753 12.979 -2.257 1.00 0.00 H new ATOM 0 HE2 HIS A 107 22.023 14.769 -1.747 1.00 0.00 H new ATOM 1703 N HIS A 108 18.362 9.383 -3.527 1.00 0.00 N ATOM 1704 CA HIS A 108 18.451 9.082 -4.950 1.00 0.00 C ATOM 1705 C HIS A 108 17.413 9.860 -5.744 1.00 0.00 C ATOM 1706 O HIS A 108 16.213 9.774 -5.475 1.00 0.00 O ATOM 1707 CB HIS A 108 18.270 7.581 -5.203 1.00 0.00 C ATOM 1708 CG HIS A 108 19.515 6.781 -5.031 1.00 0.00 C ATOM 1709 ND1 HIS A 108 19.800 6.063 -3.893 1.00 0.00 N ATOM 1710 CD2 HIS A 108 20.545 6.566 -5.879 1.00 0.00 C ATOM 1711 CE1 HIS A 108 20.953 5.443 -4.046 1.00 0.00 C ATOM 1712 NE2 HIS A 108 21.427 5.729 -5.246 1.00 0.00 N ATOM 0 H HIS A 108 17.892 8.666 -2.974 1.00 0.00 H new ATOM 0 HA HIS A 108 19.444 9.383 -5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 108 17.508 7.198 -4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.895 7.437 -6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.653 6.977 -6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 108 21.430 4.808 -3.314 1.00 0.00 H new ATOM 0 HE2 HIS A 108 22.304 5.384 -5.637 1.00 0.00 H new ATOM 1721 N HIS A 109 17.882 10.615 -6.722 1.00 0.00 N ATOM 1722 CA HIS A 109 17.002 11.311 -7.649 1.00 0.00 C ATOM 1723 C HIS A 109 17.027 10.585 -8.988 1.00 0.00 C ATOM 1724 O HIS A 109 18.044 9.992 -9.347 1.00 0.00 O ATOM 1725 CB HIS A 109 17.422 12.784 -7.816 1.00 0.00 C ATOM 1726 CG HIS A 109 18.837 12.986 -8.284 1.00 0.00 C ATOM 1727 ND1 HIS A 109 19.822 13.538 -7.493 1.00 0.00 N ATOM 1728 CD2 HIS A 109 19.427 12.714 -9.473 1.00 0.00 C ATOM 1729 CE1 HIS A 109 20.951 13.591 -8.174 1.00 0.00 C ATOM 1730 NE2 HIS A 109 20.740 13.096 -9.378 1.00 0.00 N ATOM 0 H HIS A 109 18.876 10.763 -6.897 1.00 0.00 H new ATOM 0 HA HIS A 109 15.987 11.310 -7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.747 13.261 -8.527 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.293 13.295 -6.862 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.950 12.276 -10.337 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.891 13.976 -7.807 1.00 0.00 H new ATOM 0 HE2 HIS A 109 21.438 13.011 -10.117 1.00 0.00 H new ATOM 1739 N HIS A 110 15.924 10.612 -9.726 1.00 0.00 N ATOM 1740 CA HIS A 110 15.863 9.863 -10.976 1.00 0.00 C ATOM 1741 C HIS A 110 15.181 10.653 -12.087 1.00 0.00 C ATOM 1742 O HIS A 110 15.805 10.953 -13.103 1.00 0.00 O ATOM 1743 CB HIS A 110 15.131 8.532 -10.775 1.00 0.00 C ATOM 1744 CG HIS A 110 15.254 7.599 -11.944 1.00 0.00 C ATOM 1745 ND1 HIS A 110 14.429 7.646 -13.050 1.00 0.00 N ATOM 1746 CD2 HIS A 110 16.125 6.590 -12.177 1.00 0.00 C ATOM 1747 CE1 HIS A 110 14.788 6.706 -13.905 1.00 0.00 C ATOM 1748 NE2 HIS A 110 15.816 6.053 -13.401 1.00 0.00 N ATOM 0 H HIS A 110 15.078 11.131 -9.489 1.00 0.00 H new ATOM 0 HA HIS A 110 16.893 9.673 -11.278 1.00 0.00 H new ATOM 0 HB2 HIS A 110 15.525 8.041 -9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 110 14.076 8.731 -10.589 1.00 0.00 H new ATOM 0 HD1 HIS A 110 13.662 8.304 -13.186 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.918 6.267 -11.520 1.00 0.00 H new ATOM 0 HE1 HIS A 110 14.318 6.506 -14.857 1.00 0.00 H new ATOM 1757 N HIS A 111 13.907 10.986 -11.878 1.00 0.00 N ATOM 1758 CA HIS A 111 13.053 11.531 -12.938 1.00 0.00 C ATOM 1759 C HIS A 111 12.926 10.515 -14.070 1.00 0.00 C ATOM 1760 O HIS A 111 12.462 9.386 -13.797 1.00 0.00 O ATOM 1761 CB HIS A 111 13.590 12.862 -13.486 1.00 0.00 C ATOM 1762 CG HIS A 111 13.460 14.018 -12.544 1.00 0.00 C ATOM 1763 ND1 HIS A 111 12.576 15.054 -12.743 1.00 0.00 N ATOM 1764 CD2 HIS A 111 14.122 14.307 -11.404 1.00 0.00 C ATOM 1765 CE1 HIS A 111 12.703 15.932 -11.767 1.00 0.00 C ATOM 1766 NE2 HIS A 111 13.636 15.503 -10.936 1.00 0.00 N ATOM 1767 OXT HIS A 111 13.309 10.835 -15.214 1.00 0.00 O ATOM 0 H HIS A 111 13.439 10.887 -10.977 1.00 0.00 H new ATOM 0 HA HIS A 111 12.073 11.728 -12.504 1.00 0.00 H new ATOM 0 HB2 HIS A 111 14.641 12.736 -13.744 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.061 13.100 -14.409 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.893 13.707 -10.944 1.00 0.00 H new ATOM 0 HE1 HIS A 111 12.139 16.847 -11.664 1.00 0.00 H new ATOM 0 HE2 HIS A 111 13.944 15.980 -10.089 1.00 0.00 H new TER 1776 HIS A 111