USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 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 16 TYR OH : rot -159:sc= 1 USER MOD Set 1.2: A 75 HIS : no HD1:sc= 0.361 K(o=1.4,f=-4.6!) USER MOD Single : A 10 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.00739 X(o=0.0074,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.997 K(o=-1,f=-0.066) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 20:sc= 0.563 USER MOD Single : A 27 MET CE :methyl -162:sc= -0.119 (180deg=-0.607) USER MOD Single : A 28 SER OG : rot 115:sc= 1.28 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 35 GLN : amide:sc= -0.972 K(o=-0.97,f=-5!) USER MOD Single : A 38 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 41 MET CE :methyl -162:sc= -0.162 (180deg=-0.658) USER MOD Single : A 42 GLN : amide:sc= -1.22 K(o=-1.2,f=-6!) USER MOD Single : A 43 SER OG : rot -81:sc= 1.29 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.8!) USER MOD Single : A 49 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.11) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 57 SER OG : rot 77:sc= -0.386 USER MOD Single : A 61 GLN : amide:sc= 0.0555 K(o=0.055,f=-0.62) USER MOD Single : A 64 LYS NZ :NH3+ 135:sc= 0.974 (180deg=0.231) USER MOD Single : A 66 THR OG1 : rot -91:sc= 0.923 USER MOD Single : A 74 MET CE :methyl 153:sc= -2.1! (180deg=-3.77!) USER MOD Single : A 81 MET CE :methyl -164:sc= -0.0885 (180deg=-0.45) USER MOD Single : A 82 SER OG : rot -36:sc= 0.0587 USER MOD Single : A 84 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.35) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0697 X(o=-0.07,f=-0.061) USER MOD Single : A 107 HIS : no HE2:sc= 0.182 K(o=0.18,f=-0.89) USER MOD Single : A 108 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 110 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.0016) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.150 6.824 15.342 1.00 0.00 N ATOM 2 CA PRO A 1 -13.372 6.262 14.217 1.00 0.00 C ATOM 3 C PRO A 1 -12.240 7.208 13.834 1.00 0.00 C ATOM 4 O PRO A 1 -12.350 8.415 14.034 1.00 0.00 O ATOM 5 CB PRO A 1 -14.302 6.044 13.035 1.00 0.00 C ATOM 6 CG PRO A 1 -15.589 6.646 13.476 1.00 0.00 C ATOM 7 CD PRO A 1 -15.567 6.647 14.987 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.929 7.810 15.481 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.930 6.343 16.214 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.933 5.310 14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.923 6.527 12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.415 4.984 12.805 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.696 7.659 13.089 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -16.435 6.070 13.101 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -16.180 7.453 15.391 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.962 5.714 15.389 1.00 0.00 H new ATOM 17 N PRO A 2 -11.130 6.672 13.300 1.00 0.00 N ATOM 18 CA PRO A 2 -9.967 7.474 12.905 1.00 0.00 C ATOM 19 C PRO A 2 -10.324 8.581 11.917 1.00 0.00 C ATOM 20 O PRO A 2 -10.753 8.318 10.792 1.00 0.00 O ATOM 21 CB PRO A 2 -9.017 6.460 12.255 1.00 0.00 C ATOM 22 CG PRO A 2 -9.848 5.250 11.991 1.00 0.00 C ATOM 23 CD PRO A 2 -10.914 5.242 13.045 1.00 0.00 C ATOM 0 HA PRO A 2 -9.532 7.989 13.761 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.594 6.855 11.331 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.181 6.226 12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.286 5.288 10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.244 4.344 12.040 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.823 4.751 12.697 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.591 4.715 13.943 1.00 0.00 H new ATOM 31 N VAL A 3 -10.162 9.821 12.356 1.00 0.00 N ATOM 32 CA VAL A 3 -10.444 10.971 11.513 1.00 0.00 C ATOM 33 C VAL A 3 -9.145 11.629 11.064 1.00 0.00 C ATOM 34 O VAL A 3 -8.317 12.009 11.893 1.00 0.00 O ATOM 35 CB VAL A 3 -11.317 12.018 12.243 1.00 0.00 C ATOM 36 CG1 VAL A 3 -11.653 13.182 11.320 1.00 0.00 C ATOM 37 CG2 VAL A 3 -12.588 11.382 12.779 1.00 0.00 C ATOM 0 H VAL A 3 -9.836 10.055 13.294 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.996 10.607 10.646 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.744 12.404 13.086 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.268 13.905 11.856 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.732 13.662 10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.200 12.812 10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.186 12.138 13.288 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.161 10.962 11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.330 10.589 13.481 1.00 0.00 H new ATOM 47 N ALA A 4 -8.968 11.719 9.745 1.00 0.00 N ATOM 48 CA ALA A 4 -7.823 12.406 9.135 1.00 0.00 C ATOM 49 C ALA A 4 -6.503 11.658 9.344 1.00 0.00 C ATOM 50 O ALA A 4 -5.438 12.142 8.953 1.00 0.00 O ATOM 51 CB ALA A 4 -7.718 13.839 9.645 1.00 0.00 C ATOM 0 H ALA A 4 -9.615 11.317 9.066 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.006 12.426 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.863 14.329 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.629 14.382 9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.587 13.831 10.727 1.00 0.00 H new ATOM 57 N GLU A 5 -6.569 10.482 9.946 1.00 0.00 N ATOM 58 CA GLU A 5 -5.389 9.648 10.095 1.00 0.00 C ATOM 59 C GLU A 5 -5.348 8.639 8.956 1.00 0.00 C ATOM 60 O GLU A 5 -6.136 7.687 8.934 1.00 0.00 O ATOM 61 CB GLU A 5 -5.372 8.942 11.456 1.00 0.00 C ATOM 62 CG GLU A 5 -4.056 8.238 11.746 1.00 0.00 C ATOM 63 CD GLU A 5 -3.986 7.672 13.149 1.00 0.00 C ATOM 64 OE1 GLU A 5 -3.550 8.398 14.069 1.00 0.00 O ATOM 65 OE2 GLU A 5 -4.351 6.493 13.341 1.00 0.00 O ATOM 0 H GLU A 5 -7.423 10.085 10.338 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.501 10.278 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.567 9.673 12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.182 8.214 11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.916 7.431 11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.235 8.940 11.602 1.00 0.00 H new ATOM 72 N TRP A 6 -4.432 8.881 8.013 1.00 0.00 N ATOM 73 CA TRP A 6 -4.344 8.131 6.759 1.00 0.00 C ATOM 74 C TRP A 6 -5.514 8.518 5.849 1.00 0.00 C ATOM 75 O TRP A 6 -6.674 8.254 6.160 1.00 0.00 O ATOM 76 CB TRP A 6 -4.302 6.621 7.017 1.00 0.00 C ATOM 77 CG TRP A 6 -3.697 5.829 5.897 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.943 6.307 4.862 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.778 4.412 5.714 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.563 5.275 4.041 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.063 4.101 4.542 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.391 3.373 6.425 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.945 2.800 4.066 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.272 2.082 5.952 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.554 1.806 4.782 1.00 0.00 C ATOM 0 H TRP A 6 -3.725 9.610 8.101 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.413 8.389 6.255 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.735 6.434 7.929 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.317 6.264 7.194 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.684 7.345 4.712 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.000 5.367 3.195 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.947 3.578 7.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.393 2.582 3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.740 1.272 6.492 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.479 0.785 4.437 1.00 0.00 H new ATOM 96 N ALA A 7 -5.183 9.155 4.728 1.00 0.00 N ATOM 97 CA ALA A 7 -6.171 9.808 3.867 1.00 0.00 C ATOM 98 C ALA A 7 -7.236 8.857 3.319 1.00 0.00 C ATOM 99 O ALA A 7 -8.356 9.283 3.043 1.00 0.00 O ATOM 100 CB ALA A 7 -5.475 10.516 2.717 1.00 0.00 C ATOM 0 H ALA A 7 -4.224 9.234 4.390 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.693 10.528 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.219 10.998 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.793 11.268 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.913 9.790 2.129 1.00 0.00 H new ATOM 106 N VAL A 8 -6.890 7.586 3.137 1.00 0.00 N ATOM 107 CA VAL A 8 -7.846 6.615 2.614 1.00 0.00 C ATOM 108 C VAL A 8 -9.026 6.447 3.576 1.00 0.00 C ATOM 109 O VAL A 8 -8.844 6.104 4.748 1.00 0.00 O ATOM 110 CB VAL A 8 -7.181 5.244 2.326 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.504 4.684 3.563 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.198 4.253 1.779 1.00 0.00 C ATOM 0 H VAL A 8 -5.965 7.207 3.341 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.217 7.004 1.666 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.413 5.405 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.049 3.723 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.733 5.377 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.243 4.550 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.708 3.299 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.995 4.110 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.620 4.640 0.851 1.00 0.00 H new ATOM 122 N PRO A 9 -10.252 6.725 3.089 1.00 0.00 N ATOM 123 CA PRO A 9 -11.470 6.649 3.901 1.00 0.00 C ATOM 124 C PRO A 9 -11.602 5.320 4.637 1.00 0.00 C ATOM 125 O PRO A 9 -11.390 4.252 4.055 1.00 0.00 O ATOM 126 CB PRO A 9 -12.592 6.808 2.875 1.00 0.00 C ATOM 127 CG PRO A 9 -11.980 7.594 1.770 1.00 0.00 C ATOM 128 CD PRO A 9 -10.542 7.159 1.708 1.00 0.00 C ATOM 0 HA PRO A 9 -11.481 7.405 4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.948 5.840 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.450 7.327 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.488 7.402 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.057 8.664 1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.399 6.348 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.889 7.975 1.398 1.00 0.00 H new ATOM 136 N GLN A 10 -11.953 5.405 5.914 1.00 0.00 N ATOM 137 CA GLN A 10 -12.061 4.237 6.785 1.00 0.00 C ATOM 138 C GLN A 10 -12.935 3.138 6.176 1.00 0.00 C ATOM 139 O GLN A 10 -12.539 1.975 6.149 1.00 0.00 O ATOM 140 CB GLN A 10 -12.621 4.655 8.150 1.00 0.00 C ATOM 141 CG GLN A 10 -13.921 5.442 8.057 1.00 0.00 C ATOM 142 CD GLN A 10 -14.505 5.780 9.411 1.00 0.00 C ATOM 143 OE1 GLN A 10 -14.189 6.816 9.993 1.00 0.00 O ATOM 144 NE2 GLN A 10 -15.375 4.917 9.915 1.00 0.00 N ATOM 0 H GLN A 10 -12.172 6.287 6.378 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.059 3.826 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.788 3.763 8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.877 5.258 8.670 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.742 6.364 7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.649 4.865 7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.609 4.069 9.399 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.810 5.101 10.819 1.00 0.00 H new ATOM 153 N SER A 11 -14.106 3.511 5.678 1.00 0.00 N ATOM 154 CA SER A 11 -15.043 2.545 5.124 1.00 0.00 C ATOM 155 C SER A 11 -14.415 1.790 3.957 1.00 0.00 C ATOM 156 O SER A 11 -14.525 0.567 3.862 1.00 0.00 O ATOM 157 CB SER A 11 -16.313 3.265 4.678 1.00 0.00 C ATOM 158 OG SER A 11 -16.829 4.069 5.730 1.00 0.00 O ATOM 0 H SER A 11 -14.430 4.478 5.647 1.00 0.00 H new ATOM 0 HA SER A 11 -15.297 1.816 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.098 3.887 3.809 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.062 2.535 4.370 1.00 0.00 H new ATOM 0 HG SER A 11 -17.642 4.524 5.425 1.00 0.00 H new ATOM 164 N SER A 12 -13.728 2.521 3.093 1.00 0.00 N ATOM 165 CA SER A 12 -13.085 1.927 1.940 1.00 0.00 C ATOM 166 C SER A 12 -11.886 1.081 2.360 1.00 0.00 C ATOM 167 O SER A 12 -11.677 -0.012 1.841 1.00 0.00 O ATOM 168 CB SER A 12 -12.636 3.023 0.976 1.00 0.00 C ATOM 169 OG SER A 12 -13.709 3.893 0.658 1.00 0.00 O ATOM 0 H SER A 12 -13.603 3.530 3.172 1.00 0.00 H new ATOM 0 HA SER A 12 -13.804 1.277 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.821 3.593 1.423 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.247 2.572 0.063 1.00 0.00 H new ATOM 0 HG SER A 12 -13.396 4.587 0.041 1.00 0.00 H new ATOM 175 N ARG A 13 -11.107 1.580 3.312 1.00 0.00 N ATOM 176 CA ARG A 13 -9.881 0.902 3.700 1.00 0.00 C ATOM 177 C ARG A 13 -10.180 -0.362 4.500 1.00 0.00 C ATOM 178 O ARG A 13 -9.436 -1.339 4.428 1.00 0.00 O ATOM 179 CB ARG A 13 -8.948 1.847 4.463 1.00 0.00 C ATOM 180 CG ARG A 13 -9.369 2.197 5.877 1.00 0.00 C ATOM 181 CD ARG A 13 -8.507 3.327 6.412 1.00 0.00 C ATOM 182 NE ARG A 13 -8.313 3.258 7.857 1.00 0.00 N ATOM 183 CZ ARG A 13 -7.737 4.223 8.571 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.416 5.381 7.998 1.00 0.00 N ATOM 185 NH2 ARG A 13 -7.504 4.032 9.861 1.00 0.00 N ATOM 0 H ARG A 13 -11.301 2.441 3.823 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.364 0.595 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.957 1.395 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.854 2.772 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.418 2.492 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.276 1.322 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.536 3.301 5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.969 4.281 6.158 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.637 2.424 8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.611 5.532 7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.975 6.118 8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.766 3.150 10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.063 4.767 10.414 1.00 0.00 H new ATOM 199 N LEU A 14 -11.280 -0.351 5.243 1.00 0.00 N ATOM 200 CA LEU A 14 -11.742 -1.542 5.938 1.00 0.00 C ATOM 201 C LEU A 14 -12.176 -2.605 4.934 1.00 0.00 C ATOM 202 O LEU A 14 -11.979 -3.801 5.147 1.00 0.00 O ATOM 203 CB LEU A 14 -12.901 -1.195 6.872 1.00 0.00 C ATOM 204 CG LEU A 14 -12.518 -0.413 8.130 1.00 0.00 C ATOM 205 CD1 LEU A 14 -13.752 -0.123 8.969 1.00 0.00 C ATOM 206 CD2 LEU A 14 -11.485 -1.180 8.945 1.00 0.00 C ATOM 0 H LEU A 14 -11.868 0.471 5.379 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.919 -1.938 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.635 -0.614 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.391 -2.120 7.175 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.076 0.536 7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.463 0.434 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.458 0.467 8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.221 -1.062 9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.226 -0.607 9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.898 -2.144 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.591 -1.338 8.342 1.00 0.00 H new ATOM 218 N LYS A 15 -12.769 -2.142 3.842 1.00 0.00 N ATOM 219 CA LYS A 15 -13.169 -3.008 2.737 1.00 0.00 C ATOM 220 C LYS A 15 -11.961 -3.730 2.141 1.00 0.00 C ATOM 221 O LYS A 15 -11.996 -4.941 1.935 1.00 0.00 O ATOM 222 CB LYS A 15 -13.866 -2.168 1.659 1.00 0.00 C ATOM 223 CG LYS A 15 -14.231 -2.936 0.399 1.00 0.00 C ATOM 224 CD LYS A 15 -14.670 -1.990 -0.709 1.00 0.00 C ATOM 225 CE LYS A 15 -15.011 -2.738 -1.983 1.00 0.00 C ATOM 226 NZ LYS A 15 -15.329 -1.809 -3.101 1.00 0.00 N ATOM 0 H LYS A 15 -12.987 -1.156 3.696 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.858 -3.763 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.773 -1.737 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.215 -1.337 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.374 -3.521 0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.032 -3.642 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.538 -1.420 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.875 -1.272 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.173 -3.374 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.862 -3.394 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.557 -2.358 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.145 -1.219 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.508 -1.200 -3.290 1.00 0.00 H new ATOM 240 N TYR A 16 -10.884 -2.996 1.882 1.00 0.00 N ATOM 241 CA TYR A 16 -9.696 -3.606 1.293 1.00 0.00 C ATOM 242 C TYR A 16 -8.954 -4.428 2.339 1.00 0.00 C ATOM 243 O TYR A 16 -8.265 -5.381 2.006 1.00 0.00 O ATOM 244 CB TYR A 16 -8.722 -2.567 0.718 1.00 0.00 C ATOM 245 CG TYR A 16 -9.348 -1.388 0.003 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.267 -1.551 -1.027 1.00 0.00 C ATOM 247 CD2 TYR A 16 -8.993 -0.096 0.362 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.814 -0.454 -1.673 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.532 1.000 -0.276 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.440 0.820 -1.290 1.00 0.00 C ATOM 251 OH TYR A 16 -10.968 1.923 -1.925 1.00 0.00 O ATOM 0 H TYR A 16 -10.808 -1.996 2.066 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.046 -4.238 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.107 -2.186 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.052 -3.073 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.559 -2.546 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.279 0.054 1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.528 -0.594 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.241 1.997 0.021 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.382 2.695 -1.782 1.00 0.00 H new ATOM 261 N ARG A 17 -9.080 -4.052 3.608 1.00 0.00 N ATOM 262 CA ARG A 17 -8.486 -4.837 4.689 1.00 0.00 C ATOM 263 C ARG A 17 -9.171 -6.198 4.745 1.00 0.00 C ATOM 264 O ARG A 17 -8.585 -7.194 5.146 1.00 0.00 O ATOM 265 CB ARG A 17 -8.624 -4.098 6.032 1.00 0.00 C ATOM 266 CG ARG A 17 -7.720 -4.624 7.147 1.00 0.00 C ATOM 267 CD ARG A 17 -8.243 -5.904 7.779 1.00 0.00 C ATOM 268 NE ARG A 17 -9.524 -5.708 8.459 1.00 0.00 N ATOM 269 CZ ARG A 17 -9.727 -5.993 9.745 1.00 0.00 C ATOM 270 NH1 ARG A 17 -8.714 -6.396 10.504 1.00 0.00 N ATOM 271 NH2 ARG A 17 -10.934 -5.850 10.277 1.00 0.00 N ATOM 0 H ARG A 17 -9.582 -3.218 3.913 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.422 -4.977 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.406 -3.042 5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.661 -4.163 6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.723 -4.804 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.619 -3.859 7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.357 -6.666 7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.510 -6.279 8.493 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.304 -5.333 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.781 -6.487 10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.869 -6.614 11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.709 -5.521 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.087 -6.069 11.261 1.00 0.00 H new ATOM 285 N GLN A 18 -10.412 -6.216 4.299 1.00 0.00 N ATOM 286 CA GLN A 18 -11.237 -7.414 4.282 1.00 0.00 C ATOM 287 C GLN A 18 -10.893 -8.336 3.117 1.00 0.00 C ATOM 288 O GLN A 18 -11.317 -9.489 3.070 1.00 0.00 O ATOM 289 CB GLN A 18 -12.690 -6.999 4.177 1.00 0.00 C ATOM 290 CG GLN A 18 -13.389 -6.875 5.518 1.00 0.00 C ATOM 291 CD GLN A 18 -14.817 -6.399 5.374 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.740 -7.201 5.250 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.009 -5.092 5.372 1.00 0.00 N ATOM 0 H GLN A 18 -10.884 -5.389 3.933 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.050 -7.967 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.749 -6.043 3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.223 -7.727 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.379 -7.841 6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.838 -6.179 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.216 -4.460 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.951 -4.715 5.265 1.00 0.00 H new ATOM 302 N LEU A 19 -10.134 -7.807 2.185 1.00 0.00 N ATOM 303 CA LEU A 19 -9.825 -8.489 0.925 1.00 0.00 C ATOM 304 C LEU A 19 -8.510 -8.005 0.362 1.00 0.00 C ATOM 305 O LEU A 19 -8.393 -7.927 -0.855 1.00 0.00 O ATOM 306 CB LEU A 19 -10.860 -8.045 -0.094 1.00 0.00 C ATOM 307 CG LEU A 19 -11.168 -9.037 -1.209 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.941 -10.223 -0.668 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.934 -8.352 -2.330 1.00 0.00 C ATOM 0 H LEU A 19 -9.705 -6.885 2.269 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.804 -9.563 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.788 -7.822 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.519 -7.114 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.227 -9.407 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.152 -10.920 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.349 -10.725 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.879 -9.878 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.147 -9.073 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.871 -7.954 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.334 -7.537 -2.735 1.00 0.00 H new ATOM 321 N PHE A 20 -7.489 -7.747 1.166 1.00 0.00 N ATOM 322 CA PHE A 20 -6.770 -8.678 2.066 1.00 0.00 C ATOM 323 C PHE A 20 -7.554 -9.800 2.762 1.00 0.00 C ATOM 324 O PHE A 20 -7.517 -10.929 2.283 1.00 0.00 O ATOM 325 CB PHE A 20 -6.054 -7.833 3.124 1.00 0.00 C ATOM 326 CG PHE A 20 -4.913 -8.528 3.808 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.647 -8.511 3.248 1.00 0.00 C ATOM 328 CD2 PHE A 20 -5.099 -9.188 5.011 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.590 -9.140 3.874 1.00 0.00 C ATOM 330 CE2 PHE A 20 -4.045 -9.817 5.641 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.789 -9.794 5.072 1.00 0.00 C ATOM 0 H PHE A 20 -7.099 -6.806 1.221 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.113 -9.237 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.679 -6.924 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.779 -7.525 3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.485 -8.000 2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.080 -9.211 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.607 -9.120 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.204 -10.327 6.580 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.963 -10.287 5.563 1.00 0.00 H new ATOM 341 N ASN A 21 -8.267 -9.503 3.838 1.00 0.00 N ATOM 342 CA ASN A 21 -8.588 -10.502 4.882 1.00 0.00 C ATOM 343 C ASN A 21 -9.111 -11.839 4.336 1.00 0.00 C ATOM 344 O ASN A 21 -8.630 -12.894 4.741 1.00 0.00 O ATOM 345 CB ASN A 21 -9.629 -9.928 5.843 1.00 0.00 C ATOM 346 CG ASN A 21 -9.588 -10.563 7.218 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.625 -10.784 7.841 1.00 0.00 O ATOM 348 ND2 ASN A 21 -8.391 -10.822 7.718 1.00 0.00 N ATOM 0 H ASN A 21 -8.643 -8.573 4.024 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.646 -10.713 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.470 -8.854 5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.623 -10.065 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.304 -11.220 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.555 -10.624 7.168 1.00 0.00 H new ATOM 355 N SER A 22 -10.067 -11.802 3.420 1.00 0.00 N ATOM 356 CA SER A 22 -10.670 -13.025 2.888 1.00 0.00 C ATOM 357 C SER A 22 -9.654 -13.877 2.117 1.00 0.00 C ATOM 358 O SER A 22 -9.817 -15.091 1.995 1.00 0.00 O ATOM 359 CB SER A 22 -11.857 -12.676 1.989 1.00 0.00 C ATOM 360 OG SER A 22 -12.550 -13.840 1.570 1.00 0.00 O ATOM 0 H SER A 22 -10.445 -10.940 3.026 1.00 0.00 H new ATOM 0 HA SER A 22 -11.017 -13.617 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.540 -12.018 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.505 -12.127 1.116 1.00 0.00 H new ATOM 0 HG SER A 22 -13.304 -13.584 0.998 1.00 0.00 H new ATOM 366 N HIS A 23 -8.604 -13.248 1.605 1.00 0.00 N ATOM 367 CA HIS A 23 -7.597 -13.964 0.825 1.00 0.00 C ATOM 368 C HIS A 23 -6.461 -14.449 1.716 1.00 0.00 C ATOM 369 O HIS A 23 -5.630 -15.251 1.293 1.00 0.00 O ATOM 370 CB HIS A 23 -7.042 -13.084 -0.302 1.00 0.00 C ATOM 371 CG HIS A 23 -7.987 -12.918 -1.453 1.00 0.00 C ATOM 372 ND1 HIS A 23 -7.838 -13.578 -2.653 1.00 0.00 N ATOM 373 CD2 HIS A 23 -9.106 -12.170 -1.579 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.823 -13.244 -3.463 1.00 0.00 C ATOM 375 NE2 HIS A 23 -9.612 -12.389 -2.837 1.00 0.00 N ATOM 0 H HIS A 23 -8.426 -12.250 1.713 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.084 -14.831 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.798 -12.101 0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.111 -13.519 -0.666 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.526 -11.518 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.962 -13.608 -4.470 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.455 -11.963 -3.223 1.00 0.00 H new ATOM 384 N ASP A 24 -6.430 -13.967 2.949 1.00 0.00 N ATOM 385 CA ASP A 24 -5.409 -14.387 3.896 1.00 0.00 C ATOM 386 C ASP A 24 -5.925 -15.527 4.761 1.00 0.00 C ATOM 387 O ASP A 24 -7.106 -15.580 5.104 1.00 0.00 O ATOM 388 CB ASP A 24 -4.961 -13.216 4.779 1.00 0.00 C ATOM 389 CG ASP A 24 -3.949 -13.633 5.840 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.117 -14.524 5.561 1.00 0.00 O ATOM 391 OD2 ASP A 24 -3.983 -13.076 6.959 1.00 0.00 O ATOM 0 H ASP A 24 -7.097 -13.288 3.316 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.547 -14.736 3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.524 -12.439 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.833 -12.779 5.266 1.00 0.00 H new ATOM 396 N LYS A 25 -5.031 -16.430 5.123 1.00 0.00 N ATOM 397 CA LYS A 25 -5.372 -17.566 5.962 1.00 0.00 C ATOM 398 C LYS A 25 -5.238 -17.190 7.435 1.00 0.00 C ATOM 399 O LYS A 25 -4.994 -18.044 8.293 1.00 0.00 O ATOM 400 CB LYS A 25 -4.488 -18.768 5.608 1.00 0.00 C ATOM 401 CG LYS A 25 -3.003 -18.447 5.529 1.00 0.00 C ATOM 402 CD LYS A 25 -2.215 -19.620 4.965 1.00 0.00 C ATOM 403 CE LYS A 25 -2.659 -19.952 3.548 1.00 0.00 C ATOM 404 NZ LYS A 25 -1.976 -21.157 3.015 1.00 0.00 N ATOM 0 H LYS A 25 -4.050 -16.397 4.845 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.409 -17.848 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.640 -19.549 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.812 -19.174 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.851 -17.569 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.629 -18.198 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.151 -19.382 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.349 -20.492 5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.737 -20.112 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.455 -19.102 2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.309 -21.346 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.949 -20.997 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.191 -21.975 3.621 1.00 0.00 H new ATOM 418 N THR A 26 -5.415 -15.892 7.705 1.00 0.00 N ATOM 419 CA THR A 26 -5.408 -15.325 9.057 1.00 0.00 C ATOM 420 C THR A 26 -4.164 -15.717 9.852 1.00 0.00 C ATOM 421 O THR A 26 -4.227 -15.912 11.067 1.00 0.00 O ATOM 422 CB THR A 26 -6.691 -15.698 9.843 1.00 0.00 C ATOM 423 OG1 THR A 26 -6.946 -17.110 9.785 1.00 0.00 O ATOM 424 CG2 THR A 26 -7.895 -14.940 9.295 1.00 0.00 C ATOM 0 H THR A 26 -5.570 -15.194 6.977 1.00 0.00 H new ATOM 0 HA THR A 26 -5.386 -14.243 8.928 1.00 0.00 H new ATOM 0 HB THR A 26 -6.531 -15.416 10.884 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.121 -17.582 9.545 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.786 -15.215 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.723 -13.868 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.038 -15.194 8.245 1.00 0.00 H new ATOM 432 N MET A 27 -3.028 -15.807 9.170 1.00 0.00 N ATOM 433 CA MET A 27 -1.775 -16.144 9.834 1.00 0.00 C ATOM 434 C MET A 27 -0.569 -15.645 9.046 1.00 0.00 C ATOM 435 O MET A 27 0.565 -16.008 9.348 1.00 0.00 O ATOM 436 CB MET A 27 -1.672 -17.660 10.042 1.00 0.00 C ATOM 437 CG MET A 27 -1.632 -18.458 8.746 1.00 0.00 C ATOM 438 SD MET A 27 -1.605 -20.241 9.020 1.00 0.00 S ATOM 439 CE MET A 27 -0.080 -20.415 9.945 1.00 0.00 C ATOM 0 H MET A 27 -2.949 -15.653 8.165 1.00 0.00 H new ATOM 0 HA MET A 27 -1.773 -15.646 10.804 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.773 -17.878 10.619 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.522 -17.994 10.637 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.501 -18.202 8.140 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.749 -18.170 8.175 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.246 -21.455 9.916 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.688 -19.781 9.502 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.246 -20.115 10.980 1.00 0.00 H new ATOM 449 N SER A 28 -0.803 -14.806 8.044 1.00 0.00 N ATOM 450 CA SER A 28 0.290 -14.313 7.218 1.00 0.00 C ATOM 451 C SER A 28 0.651 -12.880 7.599 1.00 0.00 C ATOM 452 O SER A 28 1.817 -12.570 7.851 1.00 0.00 O ATOM 453 CB SER A 28 -0.088 -14.377 5.738 1.00 0.00 C ATOM 454 OG SER A 28 -0.738 -15.598 5.429 1.00 0.00 O ATOM 0 H SER A 28 -1.726 -14.457 7.787 1.00 0.00 H new ATOM 0 HA SER A 28 1.158 -14.950 7.390 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.742 -13.541 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.808 -14.274 5.126 1.00 0.00 H new ATOM 0 HG SER A 28 -1.665 -15.418 5.166 1.00 0.00 H new ATOM 460 N GLY A 29 -0.354 -12.007 7.628 1.00 0.00 N ATOM 461 CA GLY A 29 -0.117 -10.610 7.942 1.00 0.00 C ATOM 462 C GLY A 29 0.249 -9.811 6.705 1.00 0.00 C ATOM 463 O GLY A 29 0.237 -8.581 6.716 1.00 0.00 O ATOM 0 H GLY A 29 -1.328 -12.244 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.009 -10.183 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.685 -10.533 8.676 1.00 0.00 H new ATOM 467 N HIS A 30 0.569 -10.521 5.631 1.00 0.00 N ATOM 468 CA HIS A 30 0.925 -9.896 4.367 1.00 0.00 C ATOM 469 C HIS A 30 0.664 -10.848 3.218 1.00 0.00 C ATOM 470 O HIS A 30 0.746 -12.064 3.379 1.00 0.00 O ATOM 471 CB HIS A 30 2.397 -9.462 4.352 1.00 0.00 C ATOM 472 CG HIS A 30 3.378 -10.556 4.669 1.00 0.00 C ATOM 473 ND1 HIS A 30 3.918 -10.737 5.922 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.933 -11.513 3.884 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.759 -11.753 5.898 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.788 -12.241 4.674 1.00 0.00 N ATOM 0 H HIS A 30 0.589 -11.541 5.613 1.00 0.00 H new ATOM 0 HA HIS A 30 0.304 -9.008 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.632 -9.056 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.531 -8.653 5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.739 -11.673 2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.327 -12.122 6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.354 -13.031 4.364 1.00 0.00 H new ATOM 485 N LEU A 31 0.357 -10.291 2.068 1.00 0.00 N ATOM 486 CA LEU A 31 0.182 -11.081 0.866 1.00 0.00 C ATOM 487 C LEU A 31 1.469 -11.057 0.059 1.00 0.00 C ATOM 488 O LEU A 31 2.198 -10.061 0.071 1.00 0.00 O ATOM 489 CB LEU A 31 -0.983 -10.548 0.030 1.00 0.00 C ATOM 490 CG LEU A 31 -2.366 -10.668 0.681 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.436 -10.099 -0.237 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.673 -12.120 1.019 1.00 0.00 C ATOM 0 H LEU A 31 0.222 -9.288 1.938 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.051 -12.108 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.796 -9.498 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.000 -11.081 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.362 -10.092 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.412 -10.192 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.226 -9.047 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.438 -10.649 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.658 -12.186 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.659 -12.717 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.922 -12.499 1.712 1.00 0.00 H new ATOM 504 N THR A 32 1.758 -12.153 -0.616 1.00 0.00 N ATOM 505 CA THR A 32 2.970 -12.259 -1.406 1.00 0.00 C ATOM 506 C THR A 32 2.855 -11.436 -2.680 1.00 0.00 C ATOM 507 O THR A 32 1.760 -10.998 -3.047 1.00 0.00 O ATOM 508 CB THR A 32 3.249 -13.730 -1.774 1.00 0.00 C ATOM 509 OG1 THR A 32 2.071 -14.313 -2.351 1.00 0.00 O ATOM 510 CG2 THR A 32 3.672 -14.527 -0.549 1.00 0.00 C ATOM 0 H THR A 32 1.168 -12.985 -0.633 1.00 0.00 H new ATOM 0 HA THR A 32 3.795 -11.875 -0.806 1.00 0.00 H new ATOM 0 HB THR A 32 4.064 -13.757 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.250 -15.247 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.863 -15.561 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.580 -14.094 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.877 -14.498 0.196 1.00 0.00 H new ATOM 518 N GLY A 33 3.991 -11.216 -3.329 1.00 0.00 N ATOM 519 CA GLY A 33 4.022 -10.545 -4.616 1.00 0.00 C ATOM 520 C GLY A 33 2.999 -11.101 -5.585 1.00 0.00 C ATOM 521 O GLY A 33 2.098 -10.378 -6.016 1.00 0.00 O ATOM 0 H GLY A 33 4.908 -11.496 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.839 -9.480 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.018 -10.642 -5.049 1.00 0.00 H new ATOM 525 N PRO A 34 3.122 -12.388 -5.960 1.00 0.00 N ATOM 526 CA PRO A 34 2.171 -13.050 -6.855 1.00 0.00 C ATOM 527 C PRO A 34 0.721 -12.883 -6.406 1.00 0.00 C ATOM 528 O PRO A 34 -0.139 -12.560 -7.219 1.00 0.00 O ATOM 529 CB PRO A 34 2.579 -14.530 -6.804 1.00 0.00 C ATOM 530 CG PRO A 34 3.545 -14.642 -5.673 1.00 0.00 C ATOM 531 CD PRO A 34 4.200 -13.300 -5.556 1.00 0.00 C ATOM 0 HA PRO A 34 2.208 -12.621 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.712 -15.170 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.037 -14.843 -7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.034 -14.909 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.283 -15.421 -5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.541 -13.101 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.070 -13.214 -6.207 1.00 0.00 H new ATOM 539 N GLN A 35 0.454 -13.097 -5.119 1.00 0.00 N ATOM 540 CA GLN A 35 -0.898 -12.938 -4.583 1.00 0.00 C ATOM 541 C GLN A 35 -1.415 -11.525 -4.812 1.00 0.00 C ATOM 542 O GLN A 35 -2.497 -11.333 -5.368 1.00 0.00 O ATOM 543 CB GLN A 35 -0.934 -13.266 -3.088 1.00 0.00 C ATOM 544 CG GLN A 35 -1.349 -14.694 -2.779 1.00 0.00 C ATOM 545 CD GLN A 35 -2.803 -14.970 -3.117 1.00 0.00 C ATOM 546 OE1 GLN A 35 -3.371 -14.383 -4.039 1.00 0.00 O ATOM 547 NE2 GLN A 35 -3.423 -15.852 -2.355 1.00 0.00 N ATOM 0 H GLN A 35 1.151 -13.380 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.545 -13.637 -5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.053 -13.085 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.624 -12.583 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.714 -15.381 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.182 -14.895 -1.721 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.919 -16.318 -1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.406 -16.067 -2.521 1.00 0.00 H new ATOM 556 N ALA A 36 -0.626 -10.544 -4.397 1.00 0.00 N ATOM 557 CA ALA A 36 -0.976 -9.142 -4.576 1.00 0.00 C ATOM 558 C ALA A 36 -1.219 -8.828 -6.047 1.00 0.00 C ATOM 559 O ALA A 36 -2.224 -8.219 -6.407 1.00 0.00 O ATOM 560 CB ALA A 36 0.127 -8.260 -4.025 1.00 0.00 C ATOM 0 H ALA A 36 0.268 -10.695 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.898 -8.942 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.142 -7.213 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.260 -8.464 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.057 -8.468 -4.553 1.00 0.00 H new ATOM 566 N ARG A 37 -0.303 -9.282 -6.895 1.00 0.00 N ATOM 567 CA ARG A 37 -0.365 -9.007 -8.325 1.00 0.00 C ATOM 568 C ARG A 37 -1.541 -9.711 -8.988 1.00 0.00 C ATOM 569 O ARG A 37 -2.177 -9.156 -9.877 1.00 0.00 O ATOM 570 CB ARG A 37 0.942 -9.417 -8.998 1.00 0.00 C ATOM 571 CG ARG A 37 2.079 -8.449 -8.729 1.00 0.00 C ATOM 572 CD ARG A 37 3.256 -8.687 -9.660 1.00 0.00 C ATOM 573 NE ARG A 37 3.827 -10.021 -9.507 1.00 0.00 N ATOM 574 CZ ARG A 37 5.122 -10.291 -9.649 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.981 -9.320 -9.925 1.00 0.00 N ATOM 576 NH2 ARG A 37 5.560 -11.537 -9.521 1.00 0.00 N ATOM 0 H ARG A 37 0.498 -9.847 -6.613 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.513 -7.934 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.228 -10.409 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.782 -9.491 -10.074 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.722 -7.426 -8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.407 -8.552 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.933 -8.550 -10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.026 -7.941 -9.465 1.00 0.00 H new ATOM 0 HE ARG A 37 3.198 -10.790 -9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.650 -8.361 -10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.973 -9.532 -10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.904 -12.290 -9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.553 -11.742 -9.630 1.00 0.00 H new ATOM 590 N THR A 38 -1.834 -10.921 -8.544 1.00 0.00 N ATOM 591 CA THR A 38 -2.945 -11.686 -9.096 1.00 0.00 C ATOM 592 C THR A 38 -4.262 -10.956 -8.853 1.00 0.00 C ATOM 593 O THR A 38 -5.111 -10.881 -9.741 1.00 0.00 O ATOM 594 CB THR A 38 -3.011 -13.107 -8.497 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.788 -13.805 -8.768 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.182 -13.894 -9.067 1.00 0.00 C ATOM 0 H THR A 38 -1.320 -11.397 -7.803 1.00 0.00 H new ATOM 0 HA THR A 38 -2.778 -11.782 -10.169 1.00 0.00 H new ATOM 0 HB THR A 38 -3.154 -13.013 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.059 -13.398 -8.255 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.200 -14.890 -8.625 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.114 -13.378 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.072 -13.979 -10.148 1.00 0.00 H new ATOM 604 N ILE A 39 -4.410 -10.392 -7.658 1.00 0.00 N ATOM 605 CA ILE A 39 -5.592 -9.608 -7.325 1.00 0.00 C ATOM 606 C ILE A 39 -5.590 -8.292 -8.101 1.00 0.00 C ATOM 607 O ILE A 39 -6.632 -7.832 -8.570 1.00 0.00 O ATOM 608 CB ILE A 39 -5.668 -9.325 -5.806 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.690 -10.643 -5.027 1.00 0.00 C ATOM 610 CG2 ILE A 39 -6.903 -8.491 -5.479 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.689 -10.469 -3.523 1.00 0.00 C ATOM 0 H ILE A 39 -3.726 -10.464 -6.905 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.470 -10.190 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.785 -8.758 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.575 -11.210 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.823 -11.238 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.940 -8.301 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.853 -7.542 -6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.799 -9.033 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.705 -11.448 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.791 -9.931 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.570 -9.903 -3.222 1.00 0.00 H new ATOM 623 N LEU A 40 -4.406 -7.703 -8.247 1.00 0.00 N ATOM 624 CA LEU A 40 -4.237 -6.472 -9.012 1.00 0.00 C ATOM 625 C LEU A 40 -4.660 -6.664 -10.468 1.00 0.00 C ATOM 626 O LEU A 40 -5.354 -5.820 -11.034 1.00 0.00 O ATOM 627 CB LEU A 40 -2.779 -6.003 -8.945 1.00 0.00 C ATOM 628 CG LEU A 40 -2.334 -5.440 -7.593 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.875 -5.017 -7.646 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.212 -4.266 -7.186 1.00 0.00 C ATOM 0 H LEU A 40 -3.542 -8.063 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.879 -5.710 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.133 -6.842 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.625 -5.239 -9.707 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.440 -6.225 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.576 -4.619 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.255 -5.879 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.746 -4.249 -8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.880 -3.880 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.139 -3.479 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.248 -4.597 -7.107 1.00 0.00 H new ATOM 642 N MET A 41 -4.255 -7.785 -11.059 1.00 0.00 N ATOM 643 CA MET A 41 -4.585 -8.095 -12.453 1.00 0.00 C ATOM 644 C MET A 41 -6.096 -8.194 -12.662 1.00 0.00 C ATOM 645 O MET A 41 -6.595 -7.984 -13.769 1.00 0.00 O ATOM 646 CB MET A 41 -3.930 -9.411 -12.887 1.00 0.00 C ATOM 647 CG MET A 41 -2.406 -9.378 -12.917 1.00 0.00 C ATOM 648 SD MET A 41 -1.744 -8.194 -14.106 1.00 0.00 S ATOM 649 CE MET A 41 -2.430 -8.819 -15.638 1.00 0.00 C ATOM 0 H MET A 41 -3.695 -8.499 -10.594 1.00 0.00 H new ATOM 0 HA MET A 41 -4.199 -7.278 -13.063 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.251 -10.203 -12.210 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.295 -9.674 -13.880 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.035 -9.131 -11.922 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.032 -10.373 -13.158 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.873 -8.408 -16.480 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.358 -9.907 -15.652 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.476 -8.523 -15.716 1.00 0.00 H new ATOM 659 N GLN A 42 -6.824 -8.494 -11.592 1.00 0.00 N ATOM 660 CA GLN A 42 -8.270 -8.698 -11.675 1.00 0.00 C ATOM 661 C GLN A 42 -9.010 -7.391 -11.952 1.00 0.00 C ATOM 662 O GLN A 42 -10.208 -7.398 -12.245 1.00 0.00 O ATOM 663 CB GLN A 42 -8.798 -9.327 -10.385 1.00 0.00 C ATOM 664 CG GLN A 42 -8.175 -10.674 -10.050 1.00 0.00 C ATOM 665 CD GLN A 42 -8.537 -11.775 -11.033 1.00 0.00 C ATOM 666 OE1 GLN A 42 -8.771 -11.529 -12.220 1.00 0.00 O ATOM 667 NE2 GLN A 42 -8.577 -13.006 -10.545 1.00 0.00 N ATOM 0 H GLN A 42 -6.438 -8.602 -10.654 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.454 -9.375 -12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.618 -8.640 -9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.878 -9.449 -10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.091 -10.566 -10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.492 -10.973 -9.051 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.378 -13.170 -9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.807 -13.790 -11.156 1.00 0.00 H new ATOM 676 N SER A 43 -8.304 -6.272 -11.867 1.00 0.00 N ATOM 677 CA SER A 43 -8.904 -4.979 -12.159 1.00 0.00 C ATOM 678 C SER A 43 -9.033 -4.786 -13.668 1.00 0.00 C ATOM 679 O SER A 43 -9.764 -3.909 -14.130 1.00 0.00 O ATOM 680 CB SER A 43 -8.056 -3.858 -11.567 1.00 0.00 C ATOM 681 OG SER A 43 -6.753 -3.867 -12.119 1.00 0.00 O ATOM 0 H SER A 43 -7.320 -6.234 -11.600 1.00 0.00 H new ATOM 0 HA SER A 43 -9.897 -4.948 -11.710 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.531 -2.896 -11.760 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.998 -3.973 -10.485 1.00 0.00 H new ATOM 0 HG SER A 43 -6.208 -4.539 -11.659 1.00 0.00 H new ATOM 687 N SER A 44 -8.300 -5.616 -14.421 1.00 0.00 N ATOM 688 CA SER A 44 -8.271 -5.554 -15.881 1.00 0.00 C ATOM 689 C SER A 44 -7.581 -4.275 -16.364 1.00 0.00 C ATOM 690 O SER A 44 -7.650 -3.922 -17.542 1.00 0.00 O ATOM 691 CB SER A 44 -9.689 -5.666 -16.457 1.00 0.00 C ATOM 692 OG SER A 44 -10.320 -6.866 -16.018 1.00 0.00 O ATOM 0 H SER A 44 -7.710 -6.350 -14.030 1.00 0.00 H new ATOM 0 HA SER A 44 -7.690 -6.402 -16.244 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.281 -4.804 -16.148 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.646 -5.650 -17.546 1.00 0.00 H new ATOM 0 HG SER A 44 -11.223 -6.917 -16.395 1.00 0.00 H new ATOM 698 N LEU A 45 -6.899 -3.597 -15.445 1.00 0.00 N ATOM 699 CA LEU A 45 -6.148 -2.398 -15.780 1.00 0.00 C ATOM 700 C LEU A 45 -4.799 -2.775 -16.382 1.00 0.00 C ATOM 701 O LEU A 45 -4.228 -3.808 -16.034 1.00 0.00 O ATOM 702 CB LEU A 45 -5.941 -1.523 -14.541 1.00 0.00 C ATOM 703 CG LEU A 45 -7.223 -0.996 -13.888 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.894 -0.188 -12.642 1.00 0.00 C ATOM 705 CD2 LEU A 45 -8.019 -0.152 -14.877 1.00 0.00 C ATOM 0 H LEU A 45 -6.853 -3.861 -14.461 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.720 -1.829 -16.513 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.385 -2.098 -13.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.318 -0.672 -14.817 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.834 -1.849 -13.594 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.817 0.178 -12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.367 -0.820 -11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.262 0.658 -12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.926 0.214 -14.396 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.414 0.694 -15.202 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.287 -0.760 -15.741 1.00 0.00 H new ATOM 717 N PRO A 46 -4.281 -1.948 -17.301 1.00 0.00 N ATOM 718 CA PRO A 46 -3.018 -2.222 -17.989 1.00 0.00 C ATOM 719 C PRO A 46 -1.816 -2.204 -17.047 1.00 0.00 C ATOM 720 O PRO A 46 -1.838 -1.553 -15.996 1.00 0.00 O ATOM 721 CB PRO A 46 -2.909 -1.094 -19.020 1.00 0.00 C ATOM 722 CG PRO A 46 -3.786 -0.007 -18.505 1.00 0.00 C ATOM 723 CD PRO A 46 -4.892 -0.684 -17.744 1.00 0.00 C ATOM 0 HA PRO A 46 -3.013 -3.219 -18.430 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.879 -0.753 -19.123 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.234 -1.428 -20.005 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.227 0.670 -17.859 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.186 0.591 -19.324 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.225 -0.081 -16.899 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.764 -0.859 -18.374 1.00 0.00 H new ATOM 731 N GLN A 47 -0.762 -2.902 -17.455 1.00 0.00 N ATOM 732 CA GLN A 47 0.457 -3.033 -16.658 1.00 0.00 C ATOM 733 C GLN A 47 1.056 -1.655 -16.384 1.00 0.00 C ATOM 734 O GLN A 47 1.672 -1.430 -15.348 1.00 0.00 O ATOM 735 CB GLN A 47 1.467 -3.906 -17.412 1.00 0.00 C ATOM 736 CG GLN A 47 2.355 -4.787 -16.535 1.00 0.00 C ATOM 737 CD GLN A 47 3.268 -4.010 -15.607 1.00 0.00 C ATOM 738 OE1 GLN A 47 2.929 -3.752 -14.452 1.00 0.00 O ATOM 739 NE2 GLN A 47 4.430 -3.623 -16.107 1.00 0.00 N ATOM 0 H GLN A 47 -0.726 -3.394 -18.348 1.00 0.00 H new ATOM 0 HA GLN A 47 0.215 -3.503 -15.705 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.922 -4.546 -18.106 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.106 -3.257 -18.011 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.722 -5.444 -15.939 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.963 -5.425 -17.176 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.674 -3.857 -17.069 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.082 -3.091 -15.530 1.00 0.00 H new ATOM 748 N ALA A 48 0.854 -0.729 -17.318 1.00 0.00 N ATOM 749 CA ALA A 48 1.335 0.641 -17.158 1.00 0.00 C ATOM 750 C ALA A 48 0.780 1.269 -15.881 1.00 0.00 C ATOM 751 O ALA A 48 1.501 1.940 -15.140 1.00 0.00 O ATOM 752 CB ALA A 48 0.962 1.481 -18.373 1.00 0.00 C ATOM 0 H ALA A 48 0.360 -0.902 -18.194 1.00 0.00 H new ATOM 0 HA ALA A 48 2.422 0.612 -17.076 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.328 2.499 -18.238 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.413 1.049 -19.266 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.122 1.497 -18.485 1.00 0.00 H new ATOM 758 N GLN A 49 -0.502 1.035 -15.625 1.00 0.00 N ATOM 759 CA GLN A 49 -1.147 1.528 -14.419 1.00 0.00 C ATOM 760 C GLN A 49 -0.691 0.716 -13.215 1.00 0.00 C ATOM 761 O GLN A 49 -0.349 1.268 -12.169 1.00 0.00 O ATOM 762 CB GLN A 49 -2.669 1.436 -14.557 1.00 0.00 C ATOM 763 CG GLN A 49 -3.223 2.240 -15.720 1.00 0.00 C ATOM 764 CD GLN A 49 -3.002 3.728 -15.558 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.969 4.260 -15.964 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.974 4.412 -14.981 1.00 0.00 N ATOM 0 H GLN A 49 -1.116 0.504 -16.242 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.866 2.571 -14.275 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.952 0.391 -14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.131 1.784 -13.633 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.753 1.905 -16.645 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.291 2.044 -15.816 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.814 3.932 -14.659 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.884 5.421 -14.858 1.00 0.00 H new ATOM 775 N LEU A 50 -0.670 -0.599 -13.394 1.00 0.00 N ATOM 776 CA LEU A 50 -0.312 -1.532 -12.336 1.00 0.00 C ATOM 777 C LEU A 50 1.095 -1.271 -11.802 1.00 0.00 C ATOM 778 O LEU A 50 1.310 -1.252 -10.590 1.00 0.00 O ATOM 779 CB LEU A 50 -0.420 -2.959 -12.869 1.00 0.00 C ATOM 780 CG LEU A 50 -1.834 -3.401 -13.249 1.00 0.00 C ATOM 781 CD1 LEU A 50 -1.816 -4.810 -13.814 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.762 -3.322 -12.045 1.00 0.00 C ATOM 0 H LEU A 50 -0.902 -1.048 -14.280 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.003 -1.392 -11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.222 -3.053 -13.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.032 -3.643 -12.114 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.210 -2.725 -14.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.830 -5.109 -14.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.186 -4.838 -14.703 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.419 -5.497 -13.066 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.763 -3.640 -12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.389 -3.974 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.799 -2.295 -11.681 1.00 0.00 H new ATOM 794 N ALA A 51 2.045 -1.065 -12.710 1.00 0.00 N ATOM 795 CA ALA A 51 3.430 -0.803 -12.330 1.00 0.00 C ATOM 796 C ALA A 51 3.537 0.478 -11.509 1.00 0.00 C ATOM 797 O ALA A 51 4.275 0.535 -10.523 1.00 0.00 O ATOM 798 CB ALA A 51 4.315 -0.716 -13.569 1.00 0.00 C ATOM 0 H ALA A 51 1.880 -1.075 -13.717 1.00 0.00 H new ATOM 0 HA ALA A 51 3.775 -1.632 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.344 -0.520 -13.268 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.270 -1.658 -14.115 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.965 0.093 -14.210 1.00 0.00 H new ATOM 804 N SER A 52 2.785 1.494 -11.913 1.00 0.00 N ATOM 805 CA SER A 52 2.783 2.769 -11.217 1.00 0.00 C ATOM 806 C SER A 52 2.211 2.602 -9.813 1.00 0.00 C ATOM 807 O SER A 52 2.792 3.071 -8.838 1.00 0.00 O ATOM 808 CB SER A 52 1.968 3.801 -12.005 1.00 0.00 C ATOM 809 OG SER A 52 2.082 5.097 -11.437 1.00 0.00 O ATOM 0 H SER A 52 2.167 1.457 -12.723 1.00 0.00 H new ATOM 0 HA SER A 52 3.810 3.125 -11.135 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.311 3.824 -13.039 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.920 3.502 -12.024 1.00 0.00 H new ATOM 0 HG SER A 52 1.553 5.732 -11.963 1.00 0.00 H new ATOM 815 N ILE A 53 1.078 1.916 -9.721 1.00 0.00 N ATOM 816 CA ILE A 53 0.429 1.670 -8.438 1.00 0.00 C ATOM 817 C ILE A 53 1.318 0.832 -7.526 1.00 0.00 C ATOM 818 O ILE A 53 1.432 1.117 -6.336 1.00 0.00 O ATOM 819 CB ILE A 53 -0.934 0.970 -8.632 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.895 1.904 -9.367 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.528 0.535 -7.296 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.221 1.266 -9.721 1.00 0.00 C ATOM 0 H ILE A 53 0.588 1.519 -10.522 1.00 0.00 H new ATOM 0 HA ILE A 53 0.260 2.638 -7.966 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.778 0.073 -9.231 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.079 2.781 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.417 2.255 -10.281 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.487 0.046 -7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.848 -0.161 -6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.674 1.409 -6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.847 1.992 -10.240 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.050 0.406 -10.368 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.723 0.940 -8.810 1.00 0.00 H new ATOM 834 N TRP A 54 1.958 -0.188 -8.088 1.00 0.00 N ATOM 835 CA TRP A 54 2.858 -1.043 -7.319 1.00 0.00 C ATOM 836 C TRP A 54 4.002 -0.226 -6.736 1.00 0.00 C ATOM 837 O TRP A 54 4.287 -0.304 -5.543 1.00 0.00 O ATOM 838 CB TRP A 54 3.422 -2.169 -8.188 1.00 0.00 C ATOM 839 CG TRP A 54 4.339 -3.086 -7.435 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.690 -2.948 -7.284 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.970 -4.266 -6.710 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.186 -3.982 -6.530 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.150 -4.802 -6.162 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.758 -4.927 -6.476 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.152 -5.962 -5.391 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.763 -6.076 -5.710 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.953 -6.585 -5.177 1.00 0.00 C ATOM 0 H TRP A 54 1.871 -0.443 -9.072 1.00 0.00 H new ATOM 0 HA TRP A 54 2.282 -1.485 -6.506 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.597 -2.749 -8.602 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.962 -1.735 -9.030 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.281 -2.144 -7.697 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.166 -4.119 -6.283 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.835 -4.545 -6.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.068 -6.356 -4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.833 -6.591 -5.519 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.924 -7.488 -4.585 1.00 0.00 H new ATOM 858 N ASN A 55 4.649 0.562 -7.587 1.00 0.00 N ATOM 859 CA ASN A 55 5.788 1.371 -7.161 1.00 0.00 C ATOM 860 C ASN A 55 5.368 2.356 -6.069 1.00 0.00 C ATOM 861 O ASN A 55 6.138 2.668 -5.162 1.00 0.00 O ATOM 862 CB ASN A 55 6.388 2.123 -8.356 1.00 0.00 C ATOM 863 CG ASN A 55 7.651 2.890 -8.000 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.603 4.068 -7.649 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.794 2.225 -8.097 1.00 0.00 N ATOM 0 H ASN A 55 4.407 0.659 -8.573 1.00 0.00 H new ATOM 0 HA ASN A 55 6.548 0.706 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.613 1.411 -9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.647 2.818 -8.751 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.675 2.690 -7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.792 1.248 -8.392 1.00 0.00 H new ATOM 872 N LEU A 56 4.131 2.834 -6.167 1.00 0.00 N ATOM 873 CA LEU A 56 3.561 3.729 -5.167 1.00 0.00 C ATOM 874 C LEU A 56 3.222 2.981 -3.879 1.00 0.00 C ATOM 875 O LEU A 56 3.406 3.502 -2.778 1.00 0.00 O ATOM 876 CB LEU A 56 2.298 4.398 -5.719 1.00 0.00 C ATOM 877 CG LEU A 56 2.527 5.411 -6.840 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.202 5.965 -7.335 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.431 6.541 -6.372 1.00 0.00 C ATOM 0 H LEU A 56 3.499 2.613 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 56 4.308 4.489 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.627 3.621 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.785 4.900 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 56 3.020 4.898 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.384 6.685 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.586 5.150 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.684 6.458 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.579 7.249 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.968 7.051 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.394 6.133 -6.066 1.00 0.00 H new ATOM 891 N SER A 57 2.735 1.758 -4.029 1.00 0.00 N ATOM 892 CA SER A 57 2.243 0.974 -2.904 1.00 0.00 C ATOM 893 C SER A 57 3.383 0.336 -2.113 1.00 0.00 C ATOM 894 O SER A 57 3.355 0.331 -0.886 1.00 0.00 O ATOM 895 CB SER A 57 1.282 -0.109 -3.406 1.00 0.00 C ATOM 896 OG SER A 57 0.657 -0.789 -2.333 1.00 0.00 O ATOM 0 H SER A 57 2.670 1.282 -4.929 1.00 0.00 H new ATOM 0 HA SER A 57 1.715 1.651 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.522 0.345 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.828 -0.824 -4.022 1.00 0.00 H new ATOM 0 HG SER A 57 -0.056 -0.229 -1.962 1.00 0.00 H new ATOM 902 N ASP A 58 4.371 -0.208 -2.812 1.00 0.00 N ATOM 903 CA ASP A 58 5.493 -0.880 -2.158 1.00 0.00 C ATOM 904 C ASP A 58 6.521 0.156 -1.701 1.00 0.00 C ATOM 905 O ASP A 58 7.336 0.633 -2.492 1.00 0.00 O ATOM 906 CB ASP A 58 6.129 -1.898 -3.115 1.00 0.00 C ATOM 907 CG ASP A 58 7.028 -2.907 -2.420 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.330 -2.730 -1.221 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.455 -3.882 -3.080 1.00 0.00 O ATOM 0 H ASP A 58 4.421 -0.199 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 58 5.131 -1.418 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.338 -2.431 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.710 -1.364 -3.867 1.00 0.00 H new ATOM 914 N ILE A 59 6.470 0.497 -0.417 1.00 0.00 N ATOM 915 CA ILE A 59 7.257 1.602 0.133 1.00 0.00 C ATOM 916 C ILE A 59 8.731 1.222 0.279 1.00 0.00 C ATOM 917 O ILE A 59 9.612 2.084 0.222 1.00 0.00 O ATOM 918 CB ILE A 59 6.724 2.067 1.517 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.219 2.353 1.471 1.00 0.00 C ATOM 920 CG2 ILE A 59 7.470 3.310 1.992 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.362 1.183 1.911 1.00 0.00 C ATOM 0 H ILE A 59 5.886 0.020 0.270 1.00 0.00 H new ATOM 0 HA ILE A 59 7.160 2.422 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 59 6.898 1.254 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.002 3.211 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.942 2.632 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.081 3.619 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.533 3.085 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.330 4.116 1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.310 1.460 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.550 0.329 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.610 0.917 2.939 1.00 0.00 H new ATOM 933 N ASP A 60 8.997 -0.066 0.430 1.00 0.00 N ATOM 934 CA ASP A 60 10.350 -0.545 0.701 1.00 0.00 C ATOM 935 C ASP A 60 10.809 -1.438 -0.442 1.00 0.00 C ATOM 936 O ASP A 60 11.904 -1.998 -0.414 1.00 0.00 O ATOM 937 CB ASP A 60 10.374 -1.314 2.032 1.00 0.00 C ATOM 938 CG ASP A 60 11.753 -1.367 2.674 1.00 0.00 C ATOM 939 OD1 ASP A 60 12.075 -0.455 3.473 1.00 0.00 O ATOM 940 OD2 ASP A 60 12.512 -2.323 2.409 1.00 0.00 O ATOM 0 H ASP A 60 8.294 -0.803 0.370 1.00 0.00 H new ATOM 0 HA ASP A 60 11.030 0.303 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.676 -0.846 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.021 -2.331 1.862 1.00 0.00 H new ATOM 945 N GLN A 61 9.972 -1.507 -1.477 1.00 0.00 N ATOM 946 CA GLN A 61 10.183 -2.385 -2.612 1.00 0.00 C ATOM 947 C GLN A 61 10.556 -3.792 -2.162 1.00 0.00 C ATOM 948 O GLN A 61 11.466 -4.424 -2.711 1.00 0.00 O ATOM 949 CB GLN A 61 11.238 -1.792 -3.532 1.00 0.00 C ATOM 950 CG GLN A 61 10.846 -0.435 -4.103 1.00 0.00 C ATOM 951 CD GLN A 61 11.081 0.725 -3.154 1.00 0.00 C ATOM 952 OE1 GLN A 61 12.193 1.243 -3.058 1.00 0.00 O ATOM 953 NE2 GLN A 61 10.028 1.192 -2.511 1.00 0.00 N ATOM 0 H GLN A 61 9.122 -0.947 -1.545 1.00 0.00 H new ATOM 0 HA GLN A 61 9.249 -2.470 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.174 -1.690 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.424 -2.484 -4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.410 -0.261 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.791 -0.459 -4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.122 0.735 -2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.120 2.010 -1.909 1.00 0.00 H new ATOM 962 N ASP A 62 9.814 -4.291 -1.183 1.00 0.00 N ATOM 963 CA ASP A 62 10.112 -5.582 -0.587 1.00 0.00 C ATOM 964 C ASP A 62 9.469 -6.703 -1.390 1.00 0.00 C ATOM 965 O ASP A 62 9.877 -7.859 -1.300 1.00 0.00 O ATOM 966 CB ASP A 62 9.631 -5.629 0.863 1.00 0.00 C ATOM 967 CG ASP A 62 10.201 -6.810 1.617 1.00 0.00 C ATOM 968 OD1 ASP A 62 11.384 -6.741 2.017 1.00 0.00 O ATOM 969 OD2 ASP A 62 9.481 -7.810 1.813 1.00 0.00 O ATOM 0 H ASP A 62 9.001 -3.820 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 62 11.193 -5.721 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.916 -4.706 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.542 -5.680 0.881 1.00 0.00 H new ATOM 974 N GLY A 63 8.466 -6.352 -2.184 1.00 0.00 N ATOM 975 CA GLY A 63 7.814 -7.334 -3.023 1.00 0.00 C ATOM 976 C GLY A 63 6.684 -8.050 -2.315 1.00 0.00 C ATOM 977 O GLY A 63 6.254 -9.120 -2.746 1.00 0.00 O ATOM 0 H GLY A 63 8.094 -5.405 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.425 -6.843 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.549 -8.066 -3.357 1.00 0.00 H new ATOM 981 N LYS A 64 6.213 -7.465 -1.225 1.00 0.00 N ATOM 982 CA LYS A 64 5.105 -8.024 -0.462 1.00 0.00 C ATOM 983 C LYS A 64 4.160 -6.905 -0.068 1.00 0.00 C ATOM 984 O LYS A 64 4.585 -5.765 0.087 1.00 0.00 O ATOM 985 CB LYS A 64 5.606 -8.728 0.802 1.00 0.00 C ATOM 986 CG LYS A 64 6.671 -9.780 0.551 1.00 0.00 C ATOM 987 CD LYS A 64 7.245 -10.309 1.853 1.00 0.00 C ATOM 988 CE LYS A 64 8.509 -11.119 1.620 1.00 0.00 C ATOM 989 NZ LYS A 64 9.554 -10.325 0.918 1.00 0.00 N ATOM 0 H LYS A 64 6.584 -6.594 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 64 4.590 -8.757 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.005 -7.980 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.759 -9.198 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.243 -10.603 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.471 -9.353 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.465 -9.475 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.502 -10.930 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.899 -11.467 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.270 -12.005 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.473 -10.474 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.614 -10.630 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.307 -9.316 0.955 1.00 0.00 H new ATOM 1003 N LEU A 65 2.888 -7.228 0.094 1.00 0.00 N ATOM 1004 CA LEU A 65 1.905 -6.236 0.495 1.00 0.00 C ATOM 1005 C LEU A 65 1.197 -6.660 1.774 1.00 0.00 C ATOM 1006 O LEU A 65 0.417 -7.614 1.773 1.00 0.00 O ATOM 1007 CB LEU A 65 0.875 -6.002 -0.621 1.00 0.00 C ATOM 1008 CG LEU A 65 1.389 -5.262 -1.860 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.230 -4.903 -2.780 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.147 -4.005 -1.462 1.00 0.00 C ATOM 0 H LEU A 65 2.513 -8.166 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 65 2.435 -5.302 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.483 -6.969 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.039 -5.439 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 65 2.072 -5.924 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.610 -4.378 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.280 -5.813 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.471 -4.261 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.503 -3.496 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.485 -3.341 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.998 -4.276 -0.837 1.00 0.00 H new ATOM 1022 N THR A 66 1.486 -5.968 2.872 1.00 0.00 N ATOM 1023 CA THR A 66 0.771 -6.192 4.120 1.00 0.00 C ATOM 1024 C THR A 66 -0.650 -5.650 4.001 1.00 0.00 C ATOM 1025 O THR A 66 -1.056 -5.201 2.928 1.00 0.00 O ATOM 1026 CB THR A 66 1.472 -5.511 5.317 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.650 -4.117 5.049 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.818 -6.155 5.614 1.00 0.00 C ATOM 0 H THR A 66 2.209 -5.250 2.921 1.00 0.00 H new ATOM 0 HA THR A 66 0.756 -7.267 4.302 1.00 0.00 H new ATOM 0 HB THR A 66 0.837 -5.637 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.524 -3.974 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.283 -5.651 6.461 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.672 -7.208 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.464 -6.067 4.740 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.398 -5.676 5.095 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.769 -5.187 5.077 1.00 0.00 C ATOM 1038 C ALA A 67 -2.814 -3.718 4.673 1.00 0.00 C ATOM 1039 O ALA A 67 -3.497 -3.354 3.718 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.434 -5.397 6.431 1.00 0.00 C ATOM 0 H ALA A 67 -1.082 -6.027 5.999 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.324 -5.759 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.458 -5.025 6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.443 -6.460 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.878 -4.857 7.197 1.00 0.00 H new ATOM 1046 N GLU A 68 -2.050 -2.887 5.376 1.00 0.00 N ATOM 1047 CA GLU A 68 -2.026 -1.450 5.115 1.00 0.00 C ATOM 1048 C GLU A 68 -1.524 -1.147 3.705 1.00 0.00 C ATOM 1049 O GLU A 68 -2.018 -0.232 3.045 1.00 0.00 O ATOM 1050 CB GLU A 68 -1.154 -0.716 6.143 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.652 -0.824 7.577 1.00 0.00 C ATOM 1052 CD GLU A 68 -1.148 -2.063 8.292 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -1.662 -3.170 8.025 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -0.243 -1.931 9.141 1.00 0.00 O ATOM 0 H GLU A 68 -1.436 -3.185 6.134 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.052 -1.092 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.140 -1.113 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.098 0.337 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.338 0.061 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.742 -0.830 7.577 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.557 -1.924 3.238 1.00 0.00 N ATOM 1062 CA GLU A 69 0.031 -1.691 1.923 1.00 0.00 C ATOM 1063 C GLU A 69 -0.952 -2.080 0.832 1.00 0.00 C ATOM 1064 O GLU A 69 -1.140 -1.349 -0.141 1.00 0.00 O ATOM 1065 CB GLU A 69 1.334 -2.477 1.776 1.00 0.00 C ATOM 1066 CG GLU A 69 2.415 -2.039 2.750 1.00 0.00 C ATOM 1067 CD GLU A 69 3.613 -2.965 2.744 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.459 -4.135 3.155 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.704 -2.530 2.337 1.00 0.00 O ATOM 0 H GLU A 69 -0.164 -2.717 3.745 1.00 0.00 H new ATOM 0 HA GLU A 69 0.257 -0.629 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.129 -3.537 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.705 -2.364 0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.739 -1.029 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.997 -1.997 3.756 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.601 -3.219 1.018 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.592 -3.704 0.071 1.00 0.00 C ATOM 1078 C PHE A 70 -3.782 -2.742 0.002 1.00 0.00 C ATOM 1079 O PHE A 70 -4.344 -2.511 -1.071 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.044 -5.109 0.479 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.056 -5.725 -0.443 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.400 -5.471 -0.263 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.665 -6.565 -1.475 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.339 -6.038 -1.090 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.608 -7.137 -2.313 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.950 -6.872 -2.116 1.00 0.00 C ATOM 0 H PHE A 70 -1.457 -3.829 1.823 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.147 -3.754 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.170 -5.759 0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.464 -5.065 1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.718 -4.819 0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.616 -6.775 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.387 -5.829 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.296 -7.787 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.691 -7.317 -2.764 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.145 -2.180 1.152 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.210 -1.179 1.234 1.00 0.00 C ATOM 1098 C ILE A 71 -4.918 -0.006 0.302 1.00 0.00 C ATOM 1099 O ILE A 71 -5.791 0.448 -0.443 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.368 -0.656 2.682 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.013 -1.725 3.569 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.180 0.630 2.720 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.109 -1.332 5.029 1.00 0.00 C ATOM 0 H ILE A 71 -3.714 -2.402 2.049 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.139 -1.660 0.928 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.373 -0.434 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.014 -1.940 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.437 -2.647 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.273 0.971 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.678 1.395 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.172 0.446 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.576 -2.139 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.110 -1.146 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.710 -0.428 5.124 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.679 0.466 0.344 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.247 1.573 -0.497 1.00 0.00 C ATOM 1117 C LEU A 72 -3.368 1.212 -1.977 1.00 0.00 C ATOM 1118 O LEU A 72 -3.928 1.977 -2.765 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.806 1.963 -0.155 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.222 3.113 -0.975 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -2.006 4.397 -0.737 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.244 3.306 -0.629 1.00 0.00 C ATOM 0 H LEU A 72 -2.952 0.096 0.956 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.897 2.427 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.762 2.234 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.170 1.087 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.301 2.863 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.573 5.203 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.045 4.248 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.961 4.660 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.652 4.127 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.340 3.538 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.794 2.392 -0.852 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.862 0.035 -2.339 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.902 -0.438 -3.721 1.00 0.00 C ATOM 1136 C ALA A 73 -4.332 -0.525 -4.247 1.00 0.00 C ATOM 1137 O ALA A 73 -4.643 0.007 -5.314 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.215 -1.791 -3.832 1.00 0.00 C ATOM 0 H ALA A 73 -2.416 -0.613 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.369 0.287 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.251 -2.134 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.176 -1.698 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.725 -2.512 -3.193 1.00 0.00 H new ATOM 1144 N MET A 74 -5.208 -1.172 -3.485 1.00 0.00 N ATOM 1145 CA MET A 74 -6.596 -1.347 -3.900 1.00 0.00 C ATOM 1146 C MET A 74 -7.309 -0.009 -4.027 1.00 0.00 C ATOM 1147 O MET A 74 -8.175 0.159 -4.886 1.00 0.00 O ATOM 1148 CB MET A 74 -7.348 -2.239 -2.917 1.00 0.00 C ATOM 1149 CG MET A 74 -7.114 -3.730 -3.120 1.00 0.00 C ATOM 1150 SD MET A 74 -8.228 -4.484 -4.331 1.00 0.00 S ATOM 1151 CE MET A 74 -7.583 -3.851 -5.877 1.00 0.00 C ATOM 0 H MET A 74 -4.983 -1.583 -2.579 1.00 0.00 H new ATOM 0 HA MET A 74 -6.584 -1.827 -4.879 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.053 -1.971 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.415 -2.035 -3.003 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.084 -3.887 -3.440 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.232 -4.241 -2.164 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.814 -4.550 -6.681 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.039 -2.885 -6.093 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.502 -3.732 -5.799 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.936 0.946 -3.184 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.552 2.262 -3.233 1.00 0.00 C ATOM 1163 C HIS A 75 -7.138 2.986 -4.504 1.00 0.00 C ATOM 1164 O HIS A 75 -7.951 3.656 -5.133 1.00 0.00 O ATOM 1165 CB HIS A 75 -7.179 3.090 -2.004 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.972 4.351 -1.873 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -9.329 4.367 -1.608 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -7.590 5.647 -1.952 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -9.740 5.619 -1.526 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -8.708 6.411 -1.730 1.00 0.00 N ATOM 0 H HIS A 75 -6.219 0.835 -2.467 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.634 2.132 -3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.324 2.484 -1.110 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.119 3.340 -2.052 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.593 6.011 -2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.752 5.939 -1.325 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.735 7.431 -1.724 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.872 2.841 -4.879 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.374 3.422 -6.121 1.00 0.00 C ATOM 1181 C LEU A 76 -6.075 2.783 -7.320 1.00 0.00 C ATOM 1182 O LEU A 76 -6.367 3.453 -8.311 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.857 3.239 -6.226 1.00 0.00 C ATOM 1184 CG LEU A 76 -3.046 3.938 -5.130 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.565 3.634 -5.286 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -3.283 5.440 -5.161 1.00 0.00 C ATOM 0 H LEU A 76 -5.173 2.327 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.592 4.490 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.632 2.173 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.527 3.612 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.379 3.557 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.005 4.139 -4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.405 2.558 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.222 3.986 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.698 5.917 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.980 5.836 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.341 5.645 -5.000 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.353 1.486 -7.209 1.00 0.00 N ATOM 1199 CA ILE A 77 -7.115 0.766 -8.224 1.00 0.00 C ATOM 1200 C ILE A 77 -8.512 1.369 -8.375 1.00 0.00 C ATOM 1201 O ILE A 77 -8.936 1.688 -9.481 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.240 -0.735 -7.869 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.869 -1.422 -7.902 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.208 -1.437 -8.811 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -5.265 -1.514 -9.288 1.00 0.00 C ATOM 0 H ILE A 77 -6.059 0.910 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.576 0.860 -9.167 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.635 -0.806 -6.855 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.184 -0.877 -7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.966 -2.427 -7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.279 -2.491 -8.541 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.192 -0.975 -8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.847 -1.348 -9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.297 -2.011 -9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.929 -2.085 -9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.134 -0.511 -9.695 1.00 0.00 H new ATOM 1217 N ASP A 78 -9.210 1.535 -7.253 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.574 2.079 -7.248 1.00 0.00 C ATOM 1219 C ASP A 78 -10.604 3.461 -7.902 1.00 0.00 C ATOM 1220 O ASP A 78 -11.476 3.755 -8.720 1.00 0.00 O ATOM 1221 CB ASP A 78 -11.090 2.162 -5.804 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.583 2.436 -5.698 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.983 3.617 -5.727 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -13.358 1.463 -5.533 1.00 0.00 O ATOM 0 H ASP A 78 -8.853 1.300 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.221 1.416 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.865 1.225 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.548 2.949 -5.279 1.00 0.00 H new ATOM 1229 N VAL A 79 -9.624 4.292 -7.558 1.00 0.00 N ATOM 1230 CA VAL A 79 -9.507 5.629 -8.135 1.00 0.00 C ATOM 1231 C VAL A 79 -9.267 5.559 -9.647 1.00 0.00 C ATOM 1232 O VAL A 79 -9.944 6.235 -10.426 1.00 0.00 O ATOM 1233 CB VAL A 79 -8.369 6.433 -7.465 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -8.194 7.794 -8.118 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -8.638 6.590 -5.980 1.00 0.00 C ATOM 0 H VAL A 79 -8.897 4.063 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.451 6.141 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.442 5.876 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.386 8.334 -7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.951 7.663 -9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.119 8.363 -8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.828 7.158 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.580 7.119 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.699 5.606 -5.515 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.322 4.720 -10.055 1.00 0.00 N ATOM 1246 CA ALA A 80 -8.005 4.546 -11.473 1.00 0.00 C ATOM 1247 C ALA A 80 -9.174 3.913 -12.223 1.00 0.00 C ATOM 1248 O ALA A 80 -9.351 4.133 -13.421 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.754 3.699 -11.638 1.00 0.00 C ATOM 0 H ALA A 80 -7.760 4.148 -9.425 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.821 5.532 -11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.533 3.580 -12.699 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.915 4.190 -11.145 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.916 2.719 -11.189 1.00 0.00 H new ATOM 1255 N MET A 81 -9.970 3.131 -11.506 1.00 0.00 N ATOM 1256 CA MET A 81 -11.156 2.496 -12.071 1.00 0.00 C ATOM 1257 C MET A 81 -12.222 3.527 -12.419 1.00 0.00 C ATOM 1258 O MET A 81 -13.076 3.285 -13.270 1.00 0.00 O ATOM 1259 CB MET A 81 -11.720 1.460 -11.093 1.00 0.00 C ATOM 1260 CG MET A 81 -10.995 0.123 -11.135 1.00 0.00 C ATOM 1261 SD MET A 81 -11.104 -0.680 -12.751 1.00 0.00 S ATOM 1262 CE MET A 81 -12.866 -0.983 -12.865 1.00 0.00 C ATOM 0 H MET A 81 -9.814 2.919 -10.521 1.00 0.00 H new ATOM 0 HA MET A 81 -10.861 1.992 -12.992 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.666 1.861 -10.081 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.775 1.299 -11.316 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.946 0.275 -10.879 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.415 -0.538 -10.377 1.00 0.00 H new ATOM 0 HE1 MET A 81 -13.060 -1.712 -13.652 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.231 -1.371 -11.914 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.381 -0.051 -13.098 1.00 0.00 H new ATOM 1272 N SER A 82 -12.163 4.682 -11.765 1.00 0.00 N ATOM 1273 CA SER A 82 -13.098 5.760 -12.040 1.00 0.00 C ATOM 1274 C SER A 82 -12.574 6.636 -13.182 1.00 0.00 C ATOM 1275 O SER A 82 -13.215 7.607 -13.585 1.00 0.00 O ATOM 1276 CB SER A 82 -13.336 6.596 -10.774 1.00 0.00 C ATOM 1277 OG SER A 82 -14.520 7.375 -10.888 1.00 0.00 O ATOM 0 H SER A 82 -11.476 4.893 -11.041 1.00 0.00 H new ATOM 0 HA SER A 82 -14.051 5.330 -12.348 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.413 5.937 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.482 7.251 -10.601 1.00 0.00 H new ATOM 0 HG SER A 82 -14.624 7.679 -11.814 1.00 0.00 H new ATOM 1283 N GLY A 83 -11.401 6.281 -13.702 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.842 6.994 -14.831 1.00 0.00 C ATOM 1285 C GLY A 83 -9.917 8.121 -14.421 1.00 0.00 C ATOM 1286 O GLY A 83 -9.480 8.907 -15.263 1.00 0.00 O ATOM 0 H GLY A 83 -10.829 5.510 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.294 6.293 -15.461 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.653 7.399 -15.436 1.00 0.00 H new ATOM 1290 N GLN A 84 -9.617 8.208 -13.130 1.00 0.00 N ATOM 1291 CA GLN A 84 -8.741 9.250 -12.624 1.00 0.00 C ATOM 1292 C GLN A 84 -7.286 8.943 -12.954 1.00 0.00 C ATOM 1293 O GLN A 84 -6.875 7.780 -12.951 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.911 9.399 -11.113 1.00 0.00 C ATOM 1295 CG GLN A 84 -10.228 10.031 -10.696 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.406 11.424 -11.267 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.965 11.596 -12.349 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.920 12.425 -10.551 1.00 0.00 N ATOM 0 H GLN A 84 -9.969 7.568 -12.418 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.016 10.187 -13.108 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.830 8.415 -10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.091 10.003 -10.724 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.052 9.398 -11.025 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.277 10.078 -9.608 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.463 12.239 -9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.002 13.383 -10.892 1.00 0.00 H new ATOM 1307 N PRO A 85 -6.494 9.983 -13.252 1.00 0.00 N ATOM 1308 CA PRO A 85 -5.073 9.831 -13.555 1.00 0.00 C ATOM 1309 C PRO A 85 -4.249 9.542 -12.306 1.00 0.00 C ATOM 1310 O PRO A 85 -4.408 10.205 -11.274 1.00 0.00 O ATOM 1311 CB PRO A 85 -4.673 11.191 -14.152 1.00 0.00 C ATOM 1312 CG PRO A 85 -5.947 11.950 -14.336 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.915 11.388 -13.340 1.00 0.00 C ATOM 0 HA PRO A 85 -4.892 8.992 -14.226 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.993 11.724 -13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.154 11.063 -15.102 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.793 13.016 -14.170 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.324 11.837 -15.352 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.847 11.894 -12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.947 11.483 -13.678 1.00 0.00 H new ATOM 1321 N LEU A 86 -3.366 8.562 -12.408 1.00 0.00 N ATOM 1322 CA LEU A 86 -2.504 8.189 -11.298 1.00 0.00 C ATOM 1323 C LEU A 86 -1.307 9.128 -11.220 1.00 0.00 C ATOM 1324 O LEU A 86 -0.777 9.557 -12.249 1.00 0.00 O ATOM 1325 CB LEU A 86 -2.018 6.748 -11.473 1.00 0.00 C ATOM 1326 CG LEU A 86 -3.118 5.689 -11.482 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -2.536 4.330 -11.830 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.815 5.640 -10.133 1.00 0.00 C ATOM 0 H LEU A 86 -3.227 8.008 -13.253 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.075 8.266 -10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.462 6.680 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.319 6.517 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.854 5.955 -12.241 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.331 3.584 -11.833 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.075 4.373 -12.817 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.784 4.056 -11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.597 4.881 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.090 5.393 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.259 6.612 -9.917 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.864 9.458 -10.002 1.00 0.00 N ATOM 1341 CA PRO A 87 0.299 10.310 -9.796 1.00 0.00 C ATOM 1342 C PRO A 87 1.608 9.532 -9.884 1.00 0.00 C ATOM 1343 O PRO A 87 1.641 8.325 -9.641 1.00 0.00 O ATOM 1344 CB PRO A 87 0.088 10.842 -8.381 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.684 9.776 -7.677 1.00 0.00 C ATOM 1346 CD PRO A 87 -1.476 9.039 -8.730 1.00 0.00 C ATOM 0 HA PRO A 87 0.381 11.088 -10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.040 11.032 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.460 11.784 -8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.013 9.096 -7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.347 10.210 -6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.412 7.959 -8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.533 9.303 -8.691 1.00 0.00 H new ATOM 1354 N PRO A 88 2.701 10.217 -10.243 1.00 0.00 N ATOM 1355 CA PRO A 88 4.034 9.619 -10.294 1.00 0.00 C ATOM 1356 C PRO A 88 4.605 9.430 -8.898 1.00 0.00 C ATOM 1357 O PRO A 88 5.381 8.511 -8.639 1.00 0.00 O ATOM 1358 CB PRO A 88 4.870 10.641 -11.080 1.00 0.00 C ATOM 1359 CG PRO A 88 3.896 11.655 -11.590 1.00 0.00 C ATOM 1360 CD PRO A 88 2.730 11.623 -10.654 1.00 0.00 C ATOM 0 HA PRO A 88 4.026 8.631 -10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.621 11.106 -10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.403 10.162 -11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.346 12.647 -11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.585 11.418 -12.607 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.871 12.292 -9.805 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.805 11.922 -11.146 1.00 0.00 H new ATOM 1368 N VAL A 89 4.205 10.319 -8.002 1.00 0.00 N ATOM 1369 CA VAL A 89 4.615 10.258 -6.608 1.00 0.00 C ATOM 1370 C VAL A 89 3.377 10.320 -5.724 1.00 0.00 C ATOM 1371 O VAL A 89 2.366 10.908 -6.109 1.00 0.00 O ATOM 1372 CB VAL A 89 5.568 11.416 -6.230 1.00 0.00 C ATOM 1373 CG1 VAL A 89 6.202 11.181 -4.862 1.00 0.00 C ATOM 1374 CG2 VAL A 89 6.643 11.609 -7.291 1.00 0.00 C ATOM 0 H VAL A 89 3.588 11.102 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 89 5.154 9.322 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 89 4.974 12.328 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.867 12.010 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.420 11.112 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.772 10.252 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.299 12.429 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.227 10.694 -7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.173 11.842 -8.247 1.00 0.00 H new ATOM 1384 N LEU A 90 3.451 9.718 -4.552 1.00 0.00 N ATOM 1385 CA LEU A 90 2.309 9.663 -3.654 1.00 0.00 C ATOM 1386 C LEU A 90 2.437 10.740 -2.580 1.00 0.00 C ATOM 1387 O LEU A 90 3.542 11.016 -2.110 1.00 0.00 O ATOM 1388 CB LEU A 90 2.238 8.276 -3.003 1.00 0.00 C ATOM 1389 CG LEU A 90 0.966 7.977 -2.209 1.00 0.00 C ATOM 1390 CD1 LEU A 90 -0.214 7.773 -3.150 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.168 6.756 -1.325 1.00 0.00 C ATOM 0 H LEU A 90 4.290 9.259 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 90 1.395 9.842 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.341 7.523 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.094 8.164 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 90 0.747 8.831 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.111 7.561 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.369 8.676 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.008 6.935 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.254 6.556 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.410 5.893 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.985 6.942 -0.628 1.00 0.00 H new ATOM 1403 N PRO A 91 1.317 11.373 -2.187 1.00 0.00 N ATOM 1404 CA PRO A 91 1.304 12.349 -1.094 1.00 0.00 C ATOM 1405 C PRO A 91 1.458 11.675 0.271 1.00 0.00 C ATOM 1406 O PRO A 91 1.068 10.519 0.446 1.00 0.00 O ATOM 1407 CB PRO A 91 -0.077 13.014 -1.212 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.636 12.560 -2.522 1.00 0.00 C ATOM 1409 CD PRO A 91 -0.006 11.228 -2.800 1.00 0.00 C ATOM 0 HA PRO A 91 2.131 13.055 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.725 12.719 -0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.008 14.100 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.722 12.476 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.405 13.274 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.572 10.410 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.061 11.025 -3.869 1.00 0.00 H new ATOM 1417 N PRO A 92 2.001 12.406 1.262 1.00 0.00 N ATOM 1418 CA PRO A 92 2.292 11.858 2.597 1.00 0.00 C ATOM 1419 C PRO A 92 1.042 11.386 3.335 1.00 0.00 C ATOM 1420 O PRO A 92 1.106 10.482 4.172 1.00 0.00 O ATOM 1421 CB PRO A 92 2.936 13.035 3.345 1.00 0.00 C ATOM 1422 CG PRO A 92 3.372 13.984 2.282 1.00 0.00 C ATOM 1423 CD PRO A 92 2.394 13.820 1.156 1.00 0.00 C ATOM 0 HA PRO A 92 2.928 10.975 2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.226 13.505 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.782 12.703 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.374 15.010 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.387 13.762 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.538 14.486 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.849 14.041 0.191 1.00 0.00 H new ATOM 1431 N GLU A 93 -0.092 11.990 3.014 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.349 11.657 3.669 1.00 0.00 C ATOM 1433 C GLU A 93 -1.781 10.233 3.338 1.00 0.00 C ATOM 1434 O GLU A 93 -2.487 9.591 4.116 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.459 12.636 3.261 1.00 0.00 C ATOM 1436 CG GLU A 93 -2.190 14.088 3.629 1.00 0.00 C ATOM 1437 CD GLU A 93 -1.143 14.746 2.753 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -0.891 14.243 1.639 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -0.587 15.786 3.161 1.00 0.00 O ATOM 0 H GLU A 93 -0.168 12.716 2.301 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.184 11.735 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.606 12.569 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.392 12.323 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.120 14.652 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.867 14.138 4.669 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.349 9.737 2.186 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.728 8.403 1.742 1.00 0.00 C ATOM 1448 C TYR A 94 -0.693 7.367 2.166 1.00 0.00 C ATOM 1449 O TYR A 94 -0.887 6.169 1.965 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.904 8.371 0.221 1.00 0.00 C ATOM 1451 CG TYR A 94 -3.125 9.111 -0.276 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -4.359 8.481 -0.346 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.041 10.436 -0.682 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -5.477 9.150 -0.806 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.154 11.112 -1.145 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.369 10.465 -1.206 1.00 0.00 C ATOM 1457 OH TYR A 94 -6.481 11.131 -1.670 1.00 0.00 O ATOM 0 H TYR A 94 -0.736 10.238 1.543 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.678 8.154 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.017 8.801 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.964 7.333 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.447 7.450 -0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.091 10.947 -0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.431 8.645 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.072 12.143 -1.458 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.236 12.049 -1.910 1.00 0.00 H new ATOM 1467 N ILE A 95 0.396 7.831 2.760 1.00 0.00 N ATOM 1468 CA ILE A 95 1.455 6.941 3.205 1.00 0.00 C ATOM 1469 C ILE A 95 1.147 6.424 4.609 1.00 0.00 C ATOM 1470 O ILE A 95 0.893 7.212 5.524 1.00 0.00 O ATOM 1471 CB ILE A 95 2.825 7.654 3.201 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.139 8.179 1.796 1.00 0.00 C ATOM 1473 CG2 ILE A 95 3.924 6.706 3.675 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.428 8.969 1.710 1.00 0.00 C ATOM 0 H ILE A 95 0.569 8.819 2.945 1.00 0.00 H new ATOM 0 HA ILE A 95 1.504 6.103 2.510 1.00 0.00 H new ATOM 0 HB ILE A 95 2.782 8.498 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.195 7.336 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.315 8.809 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.882 7.226 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.703 6.371 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.973 5.844 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.580 9.306 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.370 9.833 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.263 8.337 2.012 1.00 0.00 H new ATOM 1486 N PRO A 96 1.140 5.093 4.787 1.00 0.00 N ATOM 1487 CA PRO A 96 0.880 4.464 6.088 1.00 0.00 C ATOM 1488 C PRO A 96 1.937 4.835 7.127 1.00 0.00 C ATOM 1489 O PRO A 96 3.072 5.174 6.778 1.00 0.00 O ATOM 1490 CB PRO A 96 0.934 2.959 5.786 1.00 0.00 C ATOM 1491 CG PRO A 96 0.777 2.848 4.310 1.00 0.00 C ATOM 1492 CD PRO A 96 1.378 4.095 3.733 1.00 0.00 C ATOM 0 HA PRO A 96 -0.071 4.789 6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.879 2.526 6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.140 2.425 6.307 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.282 1.960 3.930 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.274 2.759 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.441 3.972 3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.900 4.377 2.795 1.00 0.00 H new ATOM 1500 N PRO A 97 1.576 4.787 8.421 1.00 0.00 N ATOM 1501 CA PRO A 97 2.501 5.102 9.513 1.00 0.00 C ATOM 1502 C PRO A 97 3.689 4.145 9.554 1.00 0.00 C ATOM 1503 O PRO A 97 3.619 3.039 9.011 1.00 0.00 O ATOM 1504 CB PRO A 97 1.644 4.955 10.776 1.00 0.00 C ATOM 1505 CG PRO A 97 0.487 4.112 10.365 1.00 0.00 C ATOM 1506 CD PRO A 97 0.238 4.432 8.920 1.00 0.00 C ATOM 0 HA PRO A 97 2.937 6.095 9.401 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.207 4.485 11.582 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.313 5.927 11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.708 3.053 10.498 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.392 4.332 10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.179 3.579 8.384 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.467 5.256 8.805 1.00 0.00 H new ATOM 1514 N SER A 98 4.780 4.602 10.171 1.00 0.00 N ATOM 1515 CA SER A 98 6.015 3.825 10.316 1.00 0.00 C ATOM 1516 C SER A 98 6.796 3.754 9.000 1.00 0.00 C ATOM 1517 O SER A 98 8.019 3.632 9.004 1.00 0.00 O ATOM 1518 CB SER A 98 5.723 2.420 10.857 1.00 0.00 C ATOM 1519 OG SER A 98 5.040 2.498 12.099 1.00 0.00 O ATOM 0 H SER A 98 4.833 5.531 10.589 1.00 0.00 H new ATOM 0 HA SER A 98 6.642 4.344 11.041 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.120 1.865 10.138 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.656 1.871 10.982 1.00 0.00 H new ATOM 0 HG SER A 98 4.859 1.594 12.430 1.00 0.00 H new ATOM 1525 N PHE A 99 6.088 3.844 7.881 1.00 0.00 N ATOM 1526 CA PHE A 99 6.724 3.878 6.572 1.00 0.00 C ATOM 1527 C PHE A 99 6.996 5.319 6.155 1.00 0.00 C ATOM 1528 O PHE A 99 7.533 5.577 5.078 1.00 0.00 O ATOM 1529 CB PHE A 99 5.839 3.193 5.527 1.00 0.00 C ATOM 1530 CG PHE A 99 5.584 1.738 5.804 1.00 0.00 C ATOM 1531 CD1 PHE A 99 6.555 0.786 5.531 1.00 0.00 C ATOM 1532 CD2 PHE A 99 4.373 1.320 6.336 1.00 0.00 C ATOM 1533 CE1 PHE A 99 6.324 -0.553 5.785 1.00 0.00 C ATOM 1534 CE2 PHE A 99 4.137 -0.017 6.593 1.00 0.00 C ATOM 1535 CZ PHE A 99 5.114 -0.955 6.317 1.00 0.00 C ATOM 0 H PHE A 99 5.070 3.895 7.855 1.00 0.00 H new ATOM 0 HA PHE A 99 7.670 3.341 6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.884 3.716 5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.309 3.289 4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.503 1.094 5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.605 2.048 6.552 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.089 -1.284 5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.190 -0.329 7.009 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.932 -2.001 6.517 1.00 0.00 H new ATOM 1545 N ARG A 100 6.611 6.253 7.018 1.00 0.00 N ATOM 1546 CA ARG A 100 6.798 7.674 6.751 1.00 0.00 C ATOM 1547 C ARG A 100 8.214 8.114 7.107 1.00 0.00 C ATOM 1548 O ARG A 100 8.873 8.801 6.327 1.00 0.00 O ATOM 1549 CB ARG A 100 5.771 8.499 7.531 1.00 0.00 C ATOM 1550 CG ARG A 100 4.336 8.248 7.094 1.00 0.00 C ATOM 1551 CD ARG A 100 3.345 9.059 7.916 1.00 0.00 C ATOM 1552 NE ARG A 100 1.976 8.889 7.434 1.00 0.00 N ATOM 1553 CZ ARG A 100 0.925 9.560 7.900 1.00 0.00 C ATOM 1554 NH1 ARG A 100 1.062 10.413 8.909 1.00 0.00 N ATOM 1555 NH2 ARG A 100 -0.270 9.374 7.351 1.00 0.00 N ATOM 0 H ARG A 100 6.165 6.050 7.913 1.00 0.00 H new ATOM 0 HA ARG A 100 6.649 7.844 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.864 8.272 8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.000 9.558 7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.227 8.502 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.107 7.187 7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.403 8.754 8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.616 10.114 7.876 1.00 0.00 H new ATOM 0 HE ARG A 100 1.815 8.210 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.978 10.558 9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.251 10.923 9.260 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.379 8.720 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.079 9.886 7.704 1.00 0.00 H new ATOM 1569 N ARG A 101 8.675 7.715 8.289 1.00 0.00 N ATOM 1570 CA ARG A 101 10.027 8.033 8.738 1.00 0.00 C ATOM 1571 C ARG A 101 10.439 7.117 9.887 1.00 0.00 C ATOM 1572 O ARG A 101 9.595 6.679 10.668 1.00 0.00 O ATOM 1573 CB ARG A 101 10.140 9.504 9.173 1.00 0.00 C ATOM 1574 CG ARG A 101 9.129 9.920 10.233 1.00 0.00 C ATOM 1575 CD ARG A 101 9.385 11.336 10.736 1.00 0.00 C ATOM 1576 NE ARG A 101 8.306 11.814 11.603 1.00 0.00 N ATOM 1577 CZ ARG A 101 8.479 12.630 12.647 1.00 0.00 C ATOM 1578 NH1 ARG A 101 9.694 13.038 12.992 1.00 0.00 N ATOM 1579 NH2 ARG A 101 7.434 13.042 13.350 1.00 0.00 N ATOM 0 H ARG A 101 8.130 7.169 8.956 1.00 0.00 H new ATOM 0 HA ARG A 101 10.701 7.873 7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.145 9.682 9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.015 10.141 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.122 9.858 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.173 9.223 11.070 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.328 11.362 11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.492 12.009 9.885 1.00 0.00 H new ATOM 0 HE ARG A 101 7.357 11.503 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.506 12.729 12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.815 13.661 13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.495 12.736 13.095 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.569 13.665 14.146 1.00 0.00 H new ATOM 1593 N VAL A 102 11.739 6.831 9.964 1.00 0.00 N ATOM 1594 CA VAL A 102 12.313 6.006 11.028 1.00 0.00 C ATOM 1595 C VAL A 102 11.876 4.548 10.886 1.00 0.00 C ATOM 1596 O VAL A 102 10.832 4.139 11.396 1.00 0.00 O ATOM 1597 CB VAL A 102 11.963 6.533 12.442 1.00 0.00 C ATOM 1598 CG1 VAL A 102 12.612 5.668 13.519 1.00 0.00 C ATOM 1599 CG2 VAL A 102 12.388 7.988 12.593 1.00 0.00 C ATOM 0 H VAL A 102 12.426 7.166 9.288 1.00 0.00 H new ATOM 0 HA VAL A 102 13.396 6.066 10.917 1.00 0.00 H new ATOM 0 HB VAL A 102 10.882 6.477 12.568 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.352 6.057 14.504 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.253 4.643 13.428 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.695 5.685 13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.133 8.340 13.593 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.464 8.070 12.443 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.871 8.597 11.852 1.00 0.00 H new ATOM 1609 N ARG A 103 12.676 3.770 10.170 1.00 0.00 N ATOM 1610 CA ARG A 103 12.372 2.362 9.959 1.00 0.00 C ATOM 1611 C ARG A 103 12.970 1.505 11.066 1.00 0.00 C ATOM 1612 O ARG A 103 12.342 0.553 11.527 1.00 0.00 O ATOM 1613 CB ARG A 103 12.878 1.894 8.591 1.00 0.00 C ATOM 1614 CG ARG A 103 12.102 2.483 7.424 1.00 0.00 C ATOM 1615 CD ARG A 103 12.617 1.969 6.090 1.00 0.00 C ATOM 1616 NE ARG A 103 13.976 2.432 5.811 1.00 0.00 N ATOM 1617 CZ ARG A 103 14.624 2.197 4.672 1.00 0.00 C ATOM 1618 NH1 ARG A 103 14.067 1.454 3.719 1.00 0.00 N ATOM 1619 NH2 ARG A 103 15.845 2.692 4.496 1.00 0.00 N ATOM 0 H ARG A 103 13.538 4.089 9.727 1.00 0.00 H new ATOM 0 HA ARG A 103 11.288 2.247 9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.930 2.162 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.820 0.807 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.046 2.234 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.177 3.570 7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.598 0.879 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.951 2.299 5.293 1.00 0.00 H new ATOM 0 HE ARG A 103 14.457 2.968 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.137 1.060 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.570 1.279 2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.281 3.249 5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.346 2.515 3.625 1.00 0.00 H new ATOM 1633 N LEU A 104 14.171 1.848 11.507 1.00 0.00 N ATOM 1634 CA LEU A 104 14.828 1.078 12.553 1.00 0.00 C ATOM 1635 C LEU A 104 15.654 1.966 13.480 1.00 0.00 C ATOM 1636 O LEU A 104 15.574 1.819 14.699 1.00 0.00 O ATOM 1637 CB LEU A 104 15.686 -0.047 11.939 1.00 0.00 C ATOM 1638 CG LEU A 104 16.631 0.358 10.798 1.00 0.00 C ATOM 1639 CD1 LEU A 104 17.995 0.768 11.330 1.00 0.00 C ATOM 1640 CD2 LEU A 104 16.772 -0.778 9.799 1.00 0.00 C ATOM 0 H LEU A 104 14.706 2.645 11.162 1.00 0.00 H new ATOM 0 HA LEU A 104 14.051 0.620 13.165 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.283 -0.494 12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.017 -0.823 11.568 1.00 0.00 H new ATOM 0 HG LEU A 104 16.196 1.220 10.292 1.00 0.00 H new ATOM 0 HD11 LEU A 104 18.641 1.049 10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 104 17.882 1.617 12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 104 18.441 -0.067 11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 104 17.445 -0.475 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 104 17.178 -1.656 10.301 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.794 -1.019 9.381 1.00 0.00 H new ATOM 1652 N GLU A 105 16.399 2.906 12.897 1.00 0.00 N ATOM 1653 CA GLU A 105 17.339 3.744 13.642 1.00 0.00 C ATOM 1654 C GLU A 105 18.376 2.886 14.374 1.00 0.00 C ATOM 1655 O GLU A 105 18.091 2.266 15.400 1.00 0.00 O ATOM 1656 CB GLU A 105 16.607 4.666 14.626 1.00 0.00 C ATOM 1657 CG GLU A 105 17.541 5.558 15.433 1.00 0.00 C ATOM 1658 CD GLU A 105 18.369 6.485 14.565 1.00 0.00 C ATOM 1659 OE1 GLU A 105 19.307 6.006 13.892 1.00 0.00 O ATOM 1660 OE2 GLU A 105 18.094 7.706 14.566 1.00 0.00 O ATOM 0 H GLU A 105 16.368 3.107 11.898 1.00 0.00 H new ATOM 0 HA GLU A 105 17.862 4.372 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.907 5.292 14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.017 4.058 15.311 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.953 6.152 16.132 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.208 4.933 16.028 1.00 0.00 H new ATOM 1667 N HIS A 106 19.584 2.847 13.833 1.00 0.00 N ATOM 1668 CA HIS A 106 20.650 2.042 14.407 1.00 0.00 C ATOM 1669 C HIS A 106 21.654 2.933 15.138 1.00 0.00 C ATOM 1670 O HIS A 106 22.772 2.514 15.439 1.00 0.00 O ATOM 1671 CB HIS A 106 21.346 1.227 13.307 1.00 0.00 C ATOM 1672 CG HIS A 106 22.136 0.059 13.822 1.00 0.00 C ATOM 1673 ND1 HIS A 106 21.553 -1.122 14.223 1.00 0.00 N ATOM 1674 CD2 HIS A 106 23.468 -0.106 13.995 1.00 0.00 C ATOM 1675 CE1 HIS A 106 22.492 -1.961 14.622 1.00 0.00 C ATOM 1676 NE2 HIS A 106 23.664 -1.369 14.493 1.00 0.00 N ATOM 0 H HIS A 106 19.850 3.365 12.996 1.00 0.00 H new ATOM 0 HA HIS A 106 20.219 1.349 15.130 1.00 0.00 H new ATOM 0 HB2 HIS A 106 20.594 0.864 12.607 1.00 0.00 H new ATOM 0 HB3 HIS A 106 22.011 1.884 12.747 1.00 0.00 H new ATOM 0 HD2 HIS A 106 24.236 0.623 13.780 1.00 0.00 H new ATOM 0 HE1 HIS A 106 22.328 -2.963 14.991 1.00 0.00 H new ATOM 0 HE2 HIS A 106 24.567 -1.782 14.725 1.00 0.00 H new ATOM 1685 N HIS A 107 21.249 4.163 15.424 1.00 0.00 N ATOM 1686 CA HIS A 107 22.100 5.093 16.156 1.00 0.00 C ATOM 1687 C HIS A 107 21.555 5.337 17.554 1.00 0.00 C ATOM 1688 O HIS A 107 20.512 5.971 17.716 1.00 0.00 O ATOM 1689 CB HIS A 107 22.205 6.443 15.438 1.00 0.00 C ATOM 1690 CG HIS A 107 22.711 6.367 14.033 1.00 0.00 C ATOM 1691 ND1 HIS A 107 21.943 6.713 12.946 1.00 0.00 N ATOM 1692 CD2 HIS A 107 23.918 6.010 13.540 1.00 0.00 C ATOM 1693 CE1 HIS A 107 22.651 6.573 11.846 1.00 0.00 C ATOM 1694 NE2 HIS A 107 23.856 6.147 12.175 1.00 0.00 N ATOM 0 H HIS A 107 20.338 4.540 15.161 1.00 0.00 H new ATOM 0 HA HIS A 107 23.088 4.637 16.214 1.00 0.00 H new ATOM 0 HB2 HIS A 107 21.221 6.912 15.430 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.864 7.094 16.012 1.00 0.00 H new ATOM 0 HD1 HIS A 107 20.974 7.029 12.986 1.00 0.00 H new ATOM 0 HD2 HIS A 107 24.772 5.679 14.113 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.304 6.773 10.843 1.00 0.00 H new ATOM 1703 N HIS A 108 22.252 4.828 18.558 1.00 0.00 N ATOM 1704 CA HIS A 108 21.931 5.150 19.940 1.00 0.00 C ATOM 1705 C HIS A 108 22.374 6.576 20.215 1.00 0.00 C ATOM 1706 O HIS A 108 23.568 6.854 20.338 1.00 0.00 O ATOM 1707 CB HIS A 108 22.614 4.182 20.918 1.00 0.00 C ATOM 1708 CG HIS A 108 22.136 2.764 20.815 1.00 0.00 C ATOM 1709 ND1 HIS A 108 22.882 1.684 21.238 1.00 0.00 N ATOM 1710 CD2 HIS A 108 20.978 2.251 20.342 1.00 0.00 C ATOM 1711 CE1 HIS A 108 22.205 0.573 21.024 1.00 0.00 C ATOM 1712 NE2 HIS A 108 21.045 0.886 20.482 1.00 0.00 N ATOM 0 H HIS A 108 23.041 4.192 18.443 1.00 0.00 H new ATOM 0 HA HIS A 108 20.856 5.051 20.089 1.00 0.00 H new ATOM 0 HB2 HIS A 108 23.689 4.205 20.742 1.00 0.00 H new ATOM 0 HB3 HIS A 108 22.450 4.536 21.936 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.152 2.811 19.930 1.00 0.00 H new ATOM 0 HE1 HIS A 108 22.544 -0.426 21.254 1.00 0.00 H new ATOM 0 HE2 HIS A 108 20.317 0.224 20.211 1.00 0.00 H new ATOM 1721 N HIS A 109 21.412 7.480 20.295 1.00 0.00 N ATOM 1722 CA HIS A 109 21.702 8.906 20.345 1.00 0.00 C ATOM 1723 C HIS A 109 22.225 9.336 21.708 1.00 0.00 C ATOM 1724 O HIS A 109 21.464 9.456 22.671 1.00 0.00 O ATOM 1725 CB HIS A 109 20.462 9.732 19.983 1.00 0.00 C ATOM 1726 CG HIS A 109 20.042 9.596 18.552 1.00 0.00 C ATOM 1727 ND1 HIS A 109 20.659 10.274 17.524 1.00 0.00 N ATOM 1728 CD2 HIS A 109 19.062 8.858 17.976 1.00 0.00 C ATOM 1729 CE1 HIS A 109 20.079 9.964 16.382 1.00 0.00 C ATOM 1730 NE2 HIS A 109 19.106 9.105 16.625 1.00 0.00 N ATOM 0 H HIS A 109 20.418 7.252 20.327 1.00 0.00 H new ATOM 0 HA HIS A 109 22.484 9.092 19.609 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.635 9.429 20.625 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.662 10.782 20.195 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.374 8.198 18.484 1.00 0.00 H new ATOM 0 HE1 HIS A 109 20.353 10.348 15.411 1.00 0.00 H new ATOM 0 HE2 HIS A 109 18.489 8.693 15.925 1.00 0.00 H new ATOM 1739 N HIS A 110 23.529 9.556 21.780 1.00 0.00 N ATOM 1740 CA HIS A 110 24.142 10.133 22.963 1.00 0.00 C ATOM 1741 C HIS A 110 24.434 11.603 22.697 1.00 0.00 C ATOM 1742 O HIS A 110 24.158 12.098 21.606 1.00 0.00 O ATOM 1743 CB HIS A 110 25.426 9.379 23.368 1.00 0.00 C ATOM 1744 CG HIS A 110 26.541 9.411 22.359 1.00 0.00 C ATOM 1745 ND1 HIS A 110 26.912 8.312 21.618 1.00 0.00 N ATOM 1746 CD2 HIS A 110 27.391 10.403 21.999 1.00 0.00 C ATOM 1747 CE1 HIS A 110 27.939 8.624 20.849 1.00 0.00 C ATOM 1748 NE2 HIS A 110 28.249 9.887 21.061 1.00 0.00 N ATOM 0 H HIS A 110 24.184 9.342 21.028 1.00 0.00 H new ATOM 0 HA HIS A 110 23.449 10.041 23.800 1.00 0.00 H new ATOM 0 HB2 HIS A 110 25.794 9.800 24.304 1.00 0.00 H new ATOM 0 HB3 HIS A 110 25.168 8.339 23.566 1.00 0.00 H new ATOM 0 HD2 HIS A 110 27.393 11.413 22.380 1.00 0.00 H new ATOM 0 HE1 HIS A 110 28.440 7.957 20.163 1.00 0.00 H new ATOM 0 HE2 HIS A 110 29.004 10.398 20.603 1.00 0.00 H new ATOM 1757 N HIS A 111 24.982 12.296 23.675 1.00 0.00 N ATOM 1758 CA HIS A 111 25.283 13.707 23.505 1.00 0.00 C ATOM 1759 C HIS A 111 26.650 13.879 22.853 1.00 0.00 C ATOM 1760 O HIS A 111 27.668 13.797 23.569 1.00 0.00 O ATOM 1761 CB HIS A 111 25.233 14.438 24.845 1.00 0.00 C ATOM 1762 CG HIS A 111 25.003 15.909 24.703 1.00 0.00 C ATOM 1763 ND1 HIS A 111 25.946 16.857 25.020 1.00 0.00 N ATOM 1764 CD2 HIS A 111 23.913 16.589 24.280 1.00 0.00 C ATOM 1765 CE1 HIS A 111 25.448 18.059 24.799 1.00 0.00 C ATOM 1766 NE2 HIS A 111 24.215 17.924 24.349 1.00 0.00 N ATOM 1767 OXT HIS A 111 26.699 14.073 21.620 1.00 0.00 O ATOM 0 H HIS A 111 25.227 11.912 24.588 1.00 0.00 H new ATOM 0 HA HIS A 111 24.527 14.144 22.853 1.00 0.00 H new ATOM 0 HB2 HIS A 111 24.439 14.010 25.456 1.00 0.00 H new ATOM 0 HB3 HIS A 111 26.170 14.273 25.377 1.00 0.00 H new ATOM 0 HD2 HIS A 111 22.979 16.160 23.949 1.00 0.00 H new ATOM 0 HE1 HIS A 111 25.963 18.995 24.959 1.00 0.00 H new ATOM 0 HE2 HIS A 111 23.589 18.688 24.094 1.00 0.00 H new TER 1776 HIS A 111