USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=23 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 75 HIS :FLIP no HD1:sc= -0.562 F(o=-1.6!,f=-0.56) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0439 K(o=-0.044,f=-1.1) 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 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 22 SER OG : rot -92:sc= -0.373! USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.308 F(o=-1.1,f=-0.31) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0.874) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -163:sc= -0.118 (180deg=-0.563) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-0.84) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00683 USER MOD Single : A 35 GLN : amide:sc= -0.0588 K(o=-0.059,f=-0.77) USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.32 USER MOD Single : A 41 MET CE :methyl -145:sc= 0 (180deg=-0.0118) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 43 SER OG : rot -99:sc= 1.18 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.9!) 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) USER MOD Single : A 57 SER OG : rot -26:sc= 0.055 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 1.13 (180deg=-0.00139) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.514 USER MOD Single : A 74 MET CE :methyl -164:sc= -0.0529 (180deg=-0.38) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 60:sc= 1.2 USER MOD Single : A 84 GLN : amide:sc=-0.00689 K(o=-0.0069,f=-0.83) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.029) USER MOD Single : A 108 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.006) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.922 15.363 0.288 1.00 0.00 N ATOM 2 CA PRO A 1 -12.728 14.792 1.391 1.00 0.00 C ATOM 3 C PRO A 1 -12.037 15.048 2.723 1.00 0.00 C ATOM 4 O PRO A 1 -10.847 15.362 2.748 1.00 0.00 O ATOM 5 CB PRO A 1 -12.889 13.300 1.162 1.00 0.00 C ATOM 6 CG PRO A 1 -11.791 12.984 0.215 1.00 0.00 C ATOM 7 CD PRO A 1 -11.571 14.236 -0.605 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.082 15.815 0.649 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.450 16.075 -0.217 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.710 15.264 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.795 12.737 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.866 13.060 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.883 12.704 0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.057 12.142 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.536 14.309 -0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.196 14.234 -1.498 1.00 0.00 H new ATOM 17 N PRO A 2 -12.772 14.949 3.845 1.00 0.00 N ATOM 18 CA PRO A 2 -12.180 15.087 5.174 1.00 0.00 C ATOM 19 C PRO A 2 -11.127 14.017 5.423 1.00 0.00 C ATOM 20 O PRO A 2 -11.393 12.824 5.265 1.00 0.00 O ATOM 21 CB PRO A 2 -13.366 14.912 6.131 1.00 0.00 C ATOM 22 CG PRO A 2 -14.428 14.245 5.325 1.00 0.00 C ATOM 23 CD PRO A 2 -14.224 14.704 3.910 1.00 0.00 C ATOM 0 HA PRO A 2 -11.671 16.042 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.089 14.307 6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.708 15.874 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.350 13.160 5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.420 14.518 5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.538 13.947 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.795 15.606 3.692 1.00 0.00 H new ATOM 31 N VAL A 3 -9.930 14.442 5.794 1.00 0.00 N ATOM 32 CA VAL A 3 -8.843 13.511 6.036 1.00 0.00 C ATOM 33 C VAL A 3 -9.007 12.886 7.414 1.00 0.00 C ATOM 34 O VAL A 3 -8.588 13.448 8.426 1.00 0.00 O ATOM 35 CB VAL A 3 -7.465 14.196 5.930 1.00 0.00 C ATOM 36 CG1 VAL A 3 -6.344 13.166 5.944 1.00 0.00 C ATOM 37 CG2 VAL A 3 -7.386 15.062 4.681 1.00 0.00 C ATOM 0 H VAL A 3 -9.688 15.423 5.933 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.885 12.738 5.269 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.342 14.842 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.382 13.674 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.383 12.599 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.463 12.487 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.405 15.535 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.538 14.442 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.158 15.831 4.722 1.00 0.00 H new ATOM 47 N ALA A 4 -9.648 11.733 7.441 1.00 0.00 N ATOM 48 CA ALA A 4 -9.985 11.062 8.686 1.00 0.00 C ATOM 49 C ALA A 4 -8.880 10.108 9.121 1.00 0.00 C ATOM 50 O ALA A 4 -9.136 8.926 9.363 1.00 0.00 O ATOM 51 CB ALA A 4 -11.298 10.317 8.521 1.00 0.00 C ATOM 0 H ALA A 4 -9.950 11.235 6.604 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.091 11.815 9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.551 9.814 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.087 11.023 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.200 9.578 7.726 1.00 0.00 H new ATOM 57 N GLU A 5 -7.664 10.640 9.240 1.00 0.00 N ATOM 58 CA GLU A 5 -6.486 9.852 9.612 1.00 0.00 C ATOM 59 C GLU A 5 -6.150 8.845 8.518 1.00 0.00 C ATOM 60 O GLU A 5 -6.798 7.801 8.405 1.00 0.00 O ATOM 61 CB GLU A 5 -6.696 9.148 10.954 1.00 0.00 C ATOM 62 CG GLU A 5 -6.958 10.111 12.097 1.00 0.00 C ATOM 63 CD GLU A 5 -7.386 9.405 13.364 1.00 0.00 C ATOM 64 OE1 GLU A 5 -8.596 9.142 13.515 1.00 0.00 O ATOM 65 OE2 GLU A 5 -6.523 9.124 14.221 1.00 0.00 O ATOM 0 H GLU A 5 -7.466 11.628 9.082 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.643 10.534 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.536 8.458 10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.815 8.550 11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.055 10.689 12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.732 10.819 11.801 1.00 0.00 H new ATOM 72 N TRP A 6 -5.130 9.179 7.722 1.00 0.00 N ATOM 73 CA TRP A 6 -4.774 8.417 6.525 1.00 0.00 C ATOM 74 C TRP A 6 -5.827 8.664 5.441 1.00 0.00 C ATOM 75 O TRP A 6 -7.026 8.485 5.665 1.00 0.00 O ATOM 76 CB TRP A 6 -4.621 6.923 6.846 1.00 0.00 C ATOM 77 CG TRP A 6 -3.916 6.130 5.789 1.00 0.00 C ATOM 78 CD1 TRP A 6 -3.023 6.591 4.864 1.00 0.00 C ATOM 79 CD2 TRP A 6 -4.028 4.722 5.569 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.584 5.555 4.074 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.185 4.397 4.489 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.763 3.704 6.182 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -3.061 3.096 4.010 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.638 2.415 5.706 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.792 2.120 4.630 1.00 0.00 C ATOM 0 H TRP A 6 -4.529 9.986 7.891 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.807 8.755 6.153 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.076 6.820 7.784 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.611 6.495 7.004 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.708 7.619 4.767 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.919 5.636 3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.417 3.922 7.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.411 2.865 3.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.202 1.620 6.171 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.715 1.100 4.282 1.00 0.00 H new ATOM 96 N ALA A 7 -5.365 9.091 4.270 1.00 0.00 N ATOM 97 CA ALA A 7 -6.246 9.592 3.209 1.00 0.00 C ATOM 98 C ALA A 7 -7.026 8.486 2.491 1.00 0.00 C ATOM 99 O ALA A 7 -7.217 8.536 1.276 1.00 0.00 O ATOM 100 CB ALA A 7 -5.435 10.402 2.206 1.00 0.00 C ATOM 0 H ALA A 7 -4.375 9.102 4.026 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.990 10.226 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.093 10.772 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.966 11.245 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.664 9.769 1.766 1.00 0.00 H new ATOM 106 N VAL A 8 -7.491 7.509 3.239 1.00 0.00 N ATOM 107 CA VAL A 8 -8.383 6.498 2.708 1.00 0.00 C ATOM 108 C VAL A 8 -9.603 6.362 3.619 1.00 0.00 C ATOM 109 O VAL A 8 -9.471 6.130 4.822 1.00 0.00 O ATOM 110 CB VAL A 8 -7.669 5.136 2.530 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.121 4.620 3.848 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.604 4.110 1.898 1.00 0.00 C ATOM 0 H VAL A 8 -7.264 7.392 4.227 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.709 6.815 1.717 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.826 5.293 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.626 3.662 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.404 5.336 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.939 4.491 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.079 3.162 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.475 3.968 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.927 4.466 0.920 1.00 0.00 H new ATOM 122 N PRO A 9 -10.806 6.562 3.061 1.00 0.00 N ATOM 123 CA PRO A 9 -12.062 6.488 3.821 1.00 0.00 C ATOM 124 C PRO A 9 -12.212 5.173 4.587 1.00 0.00 C ATOM 125 O PRO A 9 -11.810 4.115 4.101 1.00 0.00 O ATOM 126 CB PRO A 9 -13.134 6.601 2.737 1.00 0.00 C ATOM 127 CG PRO A 9 -12.472 7.338 1.626 1.00 0.00 C ATOM 128 CD PRO A 9 -11.036 6.901 1.646 1.00 0.00 C ATOM 0 HA PRO A 9 -12.120 7.263 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.474 5.618 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.010 7.137 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.939 7.105 0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.555 8.416 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.867 6.044 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.369 7.694 1.309 1.00 0.00 H new ATOM 136 N GLN A 10 -12.818 5.251 5.771 1.00 0.00 N ATOM 137 CA GLN A 10 -12.936 4.105 6.677 1.00 0.00 C ATOM 138 C GLN A 10 -13.625 2.919 5.998 1.00 0.00 C ATOM 139 O GLN A 10 -13.138 1.791 6.064 1.00 0.00 O ATOM 140 CB GLN A 10 -13.709 4.514 7.936 1.00 0.00 C ATOM 141 CG GLN A 10 -13.727 3.453 9.026 1.00 0.00 C ATOM 142 CD GLN A 10 -12.353 3.193 9.617 1.00 0.00 C ATOM 143 OE1 GLN A 10 -11.617 2.326 9.151 1.00 0.00 O ATOM 144 NE2 GLN A 10 -11.999 3.945 10.648 1.00 0.00 N ATOM 0 H GLN A 10 -13.241 6.107 6.130 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.930 3.790 6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.269 5.426 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.736 4.751 7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.406 3.766 9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.123 2.524 8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.639 4.654 11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.086 3.815 11.085 1.00 0.00 H new ATOM 153 N SER A 11 -14.741 3.176 5.329 1.00 0.00 N ATOM 154 CA SER A 11 -15.474 2.116 4.645 1.00 0.00 C ATOM 155 C SER A 11 -14.610 1.470 3.563 1.00 0.00 C ATOM 156 O SER A 11 -14.639 0.255 3.377 1.00 0.00 O ATOM 157 CB SER A 11 -16.762 2.668 4.033 1.00 0.00 C ATOM 158 OG SER A 11 -17.585 3.252 5.030 1.00 0.00 O ATOM 0 H SER A 11 -15.158 4.103 5.245 1.00 0.00 H new ATOM 0 HA SER A 11 -15.733 1.353 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.519 3.412 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.304 1.866 3.532 1.00 0.00 H new ATOM 0 HG SER A 11 -18.403 3.600 4.617 1.00 0.00 H new ATOM 164 N SER A 12 -13.818 2.288 2.881 1.00 0.00 N ATOM 165 CA SER A 12 -12.975 1.806 1.797 1.00 0.00 C ATOM 166 C SER A 12 -11.768 1.034 2.331 1.00 0.00 C ATOM 167 O SER A 12 -11.433 -0.033 1.817 1.00 0.00 O ATOM 168 CB SER A 12 -12.515 2.974 0.924 1.00 0.00 C ATOM 169 OG SER A 12 -13.618 3.607 0.294 1.00 0.00 O ATOM 0 H SER A 12 -13.743 3.289 3.061 1.00 0.00 H new ATOM 0 HA SER A 12 -13.568 1.121 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.976 3.698 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.818 2.614 0.167 1.00 0.00 H new ATOM 0 HG SER A 12 -13.297 4.351 -0.257 1.00 0.00 H new ATOM 175 N ARG A 13 -11.124 1.567 3.365 1.00 0.00 N ATOM 176 CA ARG A 13 -9.942 0.922 3.932 1.00 0.00 C ATOM 177 C ARG A 13 -10.298 -0.438 4.524 1.00 0.00 C ATOM 178 O ARG A 13 -9.532 -1.389 4.415 1.00 0.00 O ATOM 179 CB ARG A 13 -9.255 1.821 4.976 1.00 0.00 C ATOM 180 CG ARG A 13 -10.156 2.308 6.097 1.00 0.00 C ATOM 181 CD ARG A 13 -9.451 3.323 6.987 1.00 0.00 C ATOM 182 NE ARG A 13 -8.417 2.715 7.815 1.00 0.00 N ATOM 183 CZ ARG A 13 -7.590 3.400 8.605 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.655 4.725 8.668 1.00 0.00 N ATOM 185 NH2 ARG A 13 -6.702 2.756 9.347 1.00 0.00 N ATOM 0 H ARG A 13 -11.397 2.436 3.825 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.230 0.762 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.421 1.272 5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.834 2.688 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.054 2.758 5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.479 1.459 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.005 4.099 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.185 3.811 7.628 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.320 1.700 7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.343 5.229 8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.017 5.239 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.652 1.738 9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.068 3.278 9.952 1.00 0.00 H new ATOM 199 N LEU A 14 -11.475 -0.529 5.118 1.00 0.00 N ATOM 200 CA LEU A 14 -11.965 -1.788 5.653 1.00 0.00 C ATOM 201 C LEU A 14 -12.314 -2.761 4.526 1.00 0.00 C ATOM 202 O LEU A 14 -12.025 -3.952 4.611 1.00 0.00 O ATOM 203 CB LEU A 14 -13.185 -1.528 6.533 1.00 0.00 C ATOM 204 CG LEU A 14 -12.893 -0.812 7.852 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.176 -0.597 8.640 1.00 0.00 C ATOM 206 CD2 LEU A 14 -11.889 -1.598 8.679 1.00 0.00 C ATOM 0 H LEU A 14 -12.112 0.258 5.243 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.179 -2.244 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.902 -0.934 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.664 -2.482 6.754 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.462 0.162 7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.947 -0.086 9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.865 0.011 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.636 -1.561 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.695 -1.071 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.292 -2.587 8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.959 -1.700 8.121 1.00 0.00 H new ATOM 218 N LYS A 15 -12.917 -2.233 3.465 1.00 0.00 N ATOM 219 CA LYS A 15 -13.293 -3.030 2.294 1.00 0.00 C ATOM 220 C LYS A 15 -12.074 -3.707 1.667 1.00 0.00 C ATOM 221 O LYS A 15 -12.137 -4.868 1.267 1.00 0.00 O ATOM 222 CB LYS A 15 -13.979 -2.133 1.257 1.00 0.00 C ATOM 223 CG LYS A 15 -14.367 -2.847 -0.030 1.00 0.00 C ATOM 224 CD LYS A 15 -14.803 -1.858 -1.099 1.00 0.00 C ATOM 225 CE LYS A 15 -15.125 -2.553 -2.415 1.00 0.00 C ATOM 226 NZ LYS A 15 -16.401 -3.316 -2.357 1.00 0.00 N ATOM 0 H LYS A 15 -13.159 -1.245 3.389 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.982 -3.809 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.875 -1.701 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.313 -1.305 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.521 -3.430 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.176 -3.549 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.680 -1.311 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.013 -1.124 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.185 -1.810 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.311 -3.231 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.576 -3.771 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.337 -4.044 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.184 -2.667 -2.137 1.00 0.00 H new ATOM 240 N TYR A 16 -10.967 -2.986 1.579 1.00 0.00 N ATOM 241 CA TYR A 16 -9.759 -3.538 0.981 1.00 0.00 C ATOM 242 C TYR A 16 -8.905 -4.239 2.029 1.00 0.00 C ATOM 243 O TYR A 16 -7.979 -4.969 1.695 1.00 0.00 O ATOM 244 CB TYR A 16 -8.955 -2.447 0.272 1.00 0.00 C ATOM 245 CG TYR A 16 -9.736 -1.735 -0.809 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.359 -2.446 -1.826 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.853 -0.351 -0.811 1.00 0.00 C ATOM 248 CE1 TYR A 16 -11.079 -1.800 -2.815 1.00 0.00 C ATOM 249 CE2 TYR A 16 -10.571 0.303 -1.794 1.00 0.00 C ATOM 250 CZ TYR A 16 -11.181 -0.425 -2.794 1.00 0.00 C ATOM 251 OH TYR A 16 -11.892 0.229 -3.778 1.00 0.00 O ATOM 0 H TYR A 16 -10.879 -2.025 1.911 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.060 -4.277 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.619 -1.717 1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.062 -2.891 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.280 -3.523 -1.845 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.375 0.224 -0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.558 -2.369 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.654 1.380 -1.779 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.865 1.195 -3.614 1.00 0.00 H new ATOM 261 N ARG A 17 -9.212 -4.014 3.300 1.00 0.00 N ATOM 262 CA ARG A 17 -8.616 -4.803 4.369 1.00 0.00 C ATOM 263 C ARG A 17 -9.270 -6.176 4.381 1.00 0.00 C ATOM 264 O ARG A 17 -8.686 -7.158 4.820 1.00 0.00 O ATOM 265 CB ARG A 17 -8.784 -4.107 5.719 1.00 0.00 C ATOM 266 CG ARG A 17 -8.214 -4.894 6.885 1.00 0.00 C ATOM 267 CD ARG A 17 -8.249 -4.084 8.167 1.00 0.00 C ATOM 268 NE ARG A 17 -8.044 -4.924 9.342 1.00 0.00 N ATOM 269 CZ ARG A 17 -7.415 -4.540 10.453 1.00 0.00 C ATOM 270 NH1 ARG A 17 -6.825 -3.354 10.523 1.00 0.00 N ATOM 271 NH2 ARG A 17 -7.348 -5.367 11.485 1.00 0.00 N ATOM 0 H ARG A 17 -9.866 -3.297 3.614 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.546 -4.910 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.299 -3.132 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.844 -3.928 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.783 -5.814 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.187 -5.184 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.479 -3.313 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.208 -3.573 8.248 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.409 -5.876 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.849 -2.724 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.347 -3.072 11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.776 -6.291 11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.868 -5.080 12.338 1.00 0.00 H new ATOM 285 N GLN A 18 -10.496 -6.208 3.875 1.00 0.00 N ATOM 286 CA GLN A 18 -11.282 -7.431 3.692 1.00 0.00 C ATOM 287 C GLN A 18 -10.718 -8.309 2.576 1.00 0.00 C ATOM 288 O GLN A 18 -11.072 -9.474 2.434 1.00 0.00 O ATOM 289 CB GLN A 18 -12.699 -7.037 3.307 1.00 0.00 C ATOM 290 CG GLN A 18 -13.667 -6.883 4.463 1.00 0.00 C ATOM 291 CD GLN A 18 -15.034 -6.430 3.990 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.446 -6.732 2.867 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.742 -5.693 4.827 1.00 0.00 N ATOM 0 H GLN A 18 -10.987 -5.367 3.572 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.253 -7.995 4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.660 -6.095 2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.094 -7.788 2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.760 -7.833 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.270 -6.161 5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.367 -5.464 5.748 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.664 -5.353 4.553 1.00 0.00 H new ATOM 302 N LEU A 19 -9.854 -7.719 1.788 1.00 0.00 N ATOM 303 CA LEU A 19 -9.367 -8.298 0.533 1.00 0.00 C ATOM 304 C LEU A 19 -8.044 -7.678 0.191 1.00 0.00 C ATOM 305 O LEU A 19 -7.804 -7.395 -0.971 1.00 0.00 O ATOM 306 CB LEU A 19 -10.311 -7.871 -0.580 1.00 0.00 C ATOM 307 CG LEU A 19 -10.231 -8.667 -1.893 1.00 0.00 C ATOM 308 CD1 LEU A 19 -10.910 -10.019 -1.765 1.00 0.00 C ATOM 309 CD2 LEU A 19 -10.838 -7.868 -3.036 1.00 0.00 C ATOM 0 H LEU A 19 -9.453 -6.804 1.994 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.296 -9.381 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.332 -7.935 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.120 -6.822 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.178 -8.846 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.835 -10.555 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.423 -10.598 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.960 -9.876 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.773 -8.446 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.883 -7.653 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.293 -6.932 -3.155 1.00 0.00 H new ATOM 321 N PHE A 20 -7.146 -7.482 1.133 1.00 0.00 N ATOM 322 CA PHE A 20 -6.518 -8.497 2.017 1.00 0.00 C ATOM 323 C PHE A 20 -7.365 -9.662 2.569 1.00 0.00 C ATOM 324 O PHE A 20 -7.368 -10.737 1.975 1.00 0.00 O ATOM 325 CB PHE A 20 -5.861 -7.756 3.187 1.00 0.00 C ATOM 326 CG PHE A 20 -4.656 -8.448 3.755 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.455 -8.451 3.060 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.716 -9.083 4.985 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.338 -9.072 3.581 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.600 -9.708 5.511 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.409 -9.702 4.806 1.00 0.00 C ATOM 0 H PHE A 20 -6.795 -6.545 1.333 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.830 -9.018 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.571 -6.760 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.598 -7.625 3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.394 -7.961 2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.643 -9.090 5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.409 -9.065 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.658 -10.200 6.471 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.536 -10.190 5.214 1.00 0.00 H new ATOM 341 N ASN A 21 -8.089 -9.442 3.663 1.00 0.00 N ATOM 342 CA ASN A 21 -8.419 -10.505 4.643 1.00 0.00 C ATOM 343 C ASN A 21 -8.938 -11.817 4.039 1.00 0.00 C ATOM 344 O ASN A 21 -8.474 -12.887 4.422 1.00 0.00 O ATOM 345 CB ASN A 21 -9.444 -9.977 5.654 1.00 0.00 C ATOM 346 CG ASN A 21 -9.788 -10.991 6.728 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.737 -11.767 6.591 1.00 0.00 O ATOM 348 ND2 ASN A 21 -9.024 -10.989 7.809 1.00 0.00 N ATOM 0 H ASN A 21 -8.469 -8.527 3.907 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.471 -10.754 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.052 -9.075 6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.354 -9.691 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.211 -11.646 8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.248 -10.331 7.884 1.00 0.00 H new ATOM 355 N SER A 22 -9.871 -11.751 3.108 1.00 0.00 N ATOM 356 CA SER A 22 -10.461 -12.960 2.539 1.00 0.00 C ATOM 357 C SER A 22 -9.426 -13.816 1.795 1.00 0.00 C ATOM 358 O SER A 22 -9.618 -15.022 1.611 1.00 0.00 O ATOM 359 CB SER A 22 -11.614 -12.590 1.616 1.00 0.00 C ATOM 360 OG SER A 22 -11.252 -11.524 0.762 1.00 0.00 O ATOM 0 H SER A 22 -10.239 -10.879 2.727 1.00 0.00 H new ATOM 0 HA SER A 22 -10.838 -13.564 3.364 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.902 -13.457 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.484 -12.307 2.209 1.00 0.00 H new ATOM 0 HG SER A 22 -11.508 -10.673 1.175 1.00 0.00 H new ATOM 366 N HIS A 23 -8.341 -13.188 1.356 1.00 0.00 N ATOM 367 CA HIS A 23 -7.269 -13.896 0.662 1.00 0.00 C ATOM 368 C HIS A 23 -6.119 -14.224 1.607 1.00 0.00 C ATOM 369 O HIS A 23 -5.112 -14.797 1.194 1.00 0.00 O ATOM 370 CB HIS A 23 -6.747 -13.081 -0.526 1.00 0.00 C ATOM 371 CG HIS A 23 -7.552 -13.260 -1.772 1.00 0.00 C ATOM 372 ND1 HIS A 23 -8.686 -12.655 -2.191 1.00 0.00 N flip ATOM 373 CD2 HIS A 23 -7.206 -14.148 -2.768 1.00 0.00 C flip ATOM 374 CE1 HIS A 23 -8.999 -13.181 -3.418 1.00 0.00 C flip ATOM 375 NE2 HIS A 23 -8.090 -14.078 -3.744 1.00 0.00 N flip ATOM 0 H HIS A 23 -8.179 -12.187 1.468 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.690 -14.830 0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.740 -12.025 -0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.714 -13.366 -0.726 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.345 -14.800 -2.752 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.852 -12.905 -4.020 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -8.073 -14.625 -4.605 1.00 0.00 H new ATOM 384 N ASP A 24 -6.269 -13.873 2.877 1.00 0.00 N ATOM 385 CA ASP A 24 -5.233 -14.161 3.857 1.00 0.00 C ATOM 386 C ASP A 24 -5.532 -15.474 4.572 1.00 0.00 C ATOM 387 O ASP A 24 -6.614 -16.040 4.433 1.00 0.00 O ATOM 388 CB ASP A 24 -5.078 -13.017 4.867 1.00 0.00 C ATOM 389 CG ASP A 24 -3.940 -13.266 5.843 1.00 0.00 C ATOM 390 OD1 ASP A 24 -2.840 -13.667 5.388 1.00 0.00 O ATOM 391 OD2 ASP A 24 -4.148 -13.104 7.061 1.00 0.00 O ATOM 0 H ASP A 24 -7.089 -13.394 3.249 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.287 -14.258 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.899 -12.084 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.009 -12.894 5.420 1.00 0.00 H new ATOM 396 N LYS A 25 -4.561 -15.950 5.327 1.00 0.00 N ATOM 397 CA LYS A 25 -4.645 -17.236 5.988 1.00 0.00 C ATOM 398 C LYS A 25 -4.280 -17.094 7.464 1.00 0.00 C ATOM 399 O LYS A 25 -5.140 -17.161 8.344 1.00 0.00 O ATOM 400 CB LYS A 25 -3.725 -18.246 5.284 1.00 0.00 C ATOM 401 CG LYS A 25 -2.327 -17.714 4.971 1.00 0.00 C ATOM 402 CD LYS A 25 -2.295 -16.833 3.722 1.00 0.00 C ATOM 403 CE LYS A 25 -0.979 -16.077 3.588 1.00 0.00 C ATOM 404 NZ LYS A 25 -0.767 -15.112 4.706 1.00 0.00 N ATOM 0 H LYS A 25 -3.688 -15.452 5.499 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.669 -17.606 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.631 -19.132 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.197 -18.562 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.962 -17.141 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.645 -18.554 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.449 -17.452 2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.119 -16.121 3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.154 -16.789 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.965 -15.540 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.146 -14.342 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.683 -14.718 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.325 -15.603 5.509 1.00 0.00 H new ATOM 418 N THR A 26 -3.004 -16.862 7.710 1.00 0.00 N ATOM 419 CA THR A 26 -2.464 -16.706 9.042 1.00 0.00 C ATOM 420 C THR A 26 -0.973 -16.434 8.904 1.00 0.00 C ATOM 421 O THR A 26 -0.372 -16.834 7.897 1.00 0.00 O ATOM 422 CB THR A 26 -2.706 -17.970 9.910 1.00 0.00 C ATOM 423 OG1 THR A 26 -2.322 -17.730 11.270 1.00 0.00 O ATOM 424 CG2 THR A 26 -1.937 -19.172 9.370 1.00 0.00 C ATOM 0 H THR A 26 -2.303 -16.776 6.974 1.00 0.00 H new ATOM 0 HA THR A 26 -2.965 -15.879 9.546 1.00 0.00 H new ATOM 0 HB THR A 26 -3.772 -18.193 9.869 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.483 -18.537 11.803 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.129 -20.040 10.001 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.263 -19.385 8.352 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.870 -18.951 9.371 1.00 0.00 H new ATOM 432 N MET A 27 -0.392 -15.720 9.868 1.00 0.00 N ATOM 433 CA MET A 27 1.037 -15.411 9.859 1.00 0.00 C ATOM 434 C MET A 27 1.385 -14.485 8.682 1.00 0.00 C ATOM 435 O MET A 27 0.560 -14.257 7.790 1.00 0.00 O ATOM 436 CB MET A 27 1.858 -16.715 9.794 1.00 0.00 C ATOM 437 CG MET A 27 3.353 -16.538 10.026 1.00 0.00 C ATOM 438 SD MET A 27 4.282 -18.065 9.773 1.00 0.00 S ATOM 439 CE MET A 27 3.521 -19.131 10.996 1.00 0.00 C ATOM 0 H MET A 27 -0.894 -15.342 10.671 1.00 0.00 H new ATOM 0 HA MET A 27 1.289 -14.888 10.782 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.469 -17.411 10.537 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.708 -17.175 8.817 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.733 -15.770 9.352 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.519 -16.180 11.042 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.164 -19.992 11.179 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.383 -18.578 11.925 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.553 -19.472 10.629 1.00 0.00 H new ATOM 449 N SER A 28 2.598 -13.938 8.709 1.00 0.00 N ATOM 450 CA SER A 28 3.125 -13.074 7.657 1.00 0.00 C ATOM 451 C SER A 28 2.521 -11.675 7.747 1.00 0.00 C ATOM 452 O SER A 28 3.249 -10.687 7.788 1.00 0.00 O ATOM 453 CB SER A 28 2.894 -13.683 6.265 1.00 0.00 C ATOM 454 OG SER A 28 3.443 -14.992 6.182 1.00 0.00 O ATOM 0 H SER A 28 3.253 -14.086 9.476 1.00 0.00 H new ATOM 0 HA SER A 28 4.201 -12.989 7.807 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.825 -13.719 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.348 -13.046 5.506 1.00 0.00 H new ATOM 0 HG SER A 28 3.281 -15.358 5.288 1.00 0.00 H new ATOM 460 N GLY A 29 1.195 -11.593 7.790 1.00 0.00 N ATOM 461 CA GLY A 29 0.527 -10.305 7.845 1.00 0.00 C ATOM 462 C GLY A 29 0.671 -9.540 6.549 1.00 0.00 C ATOM 463 O GLY A 29 0.310 -8.362 6.460 1.00 0.00 O ATOM 0 H GLY A 29 0.569 -12.398 7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.531 -10.453 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.942 -9.715 8.663 1.00 0.00 H new ATOM 467 N HIS A 30 1.215 -10.211 5.546 1.00 0.00 N ATOM 468 CA HIS A 30 1.402 -9.613 4.232 1.00 0.00 C ATOM 469 C HIS A 30 1.297 -10.662 3.136 1.00 0.00 C ATOM 470 O HIS A 30 1.466 -11.857 3.387 1.00 0.00 O ATOM 471 CB HIS A 30 2.753 -8.886 4.135 1.00 0.00 C ATOM 472 CG HIS A 30 3.953 -9.708 4.504 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.674 -9.501 5.661 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.576 -10.721 3.855 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.684 -10.346 5.707 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.646 -11.097 4.624 1.00 0.00 N ATOM 0 H HIS A 30 1.537 -11.176 5.617 1.00 0.00 H new ATOM 0 HA HIS A 30 0.607 -8.880 4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.880 -8.526 3.114 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.722 -8.009 4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.284 -11.152 2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.418 -10.412 6.497 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.307 -11.839 4.395 1.00 0.00 H new ATOM 485 N LEU A 31 1.015 -10.203 1.929 1.00 0.00 N ATOM 486 CA LEU A 31 0.964 -11.071 0.765 1.00 0.00 C ATOM 487 C LEU A 31 2.153 -10.782 -0.139 1.00 0.00 C ATOM 488 O LEU A 31 2.756 -9.710 -0.061 1.00 0.00 O ATOM 489 CB LEU A 31 -0.341 -10.864 -0.009 1.00 0.00 C ATOM 490 CG LEU A 31 -1.620 -11.220 0.756 1.00 0.00 C ATOM 491 CD1 LEU A 31 -2.845 -10.915 -0.090 1.00 0.00 C ATOM 492 CD2 LEU A 31 -1.612 -12.687 1.168 1.00 0.00 C ATOM 0 H LEU A 31 0.816 -9.223 1.728 1.00 0.00 H new ATOM 0 HA LEU A 31 1.004 -12.107 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.400 -9.820 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.303 -11.463 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.659 -10.611 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.745 -11.173 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.862 -9.853 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.807 -11.499 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.529 -12.918 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.548 -13.314 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.753 -12.880 1.811 1.00 0.00 H new ATOM 504 N THR A 32 2.496 -11.732 -0.986 1.00 0.00 N ATOM 505 CA THR A 32 3.611 -11.567 -1.896 1.00 0.00 C ATOM 506 C THR A 32 3.156 -10.948 -3.211 1.00 0.00 C ATOM 507 O THR A 32 1.963 -10.705 -3.411 1.00 0.00 O ATOM 508 CB THR A 32 4.286 -12.919 -2.170 1.00 0.00 C ATOM 509 OG1 THR A 32 3.292 -13.890 -2.528 1.00 0.00 O ATOM 510 CG2 THR A 32 5.057 -13.394 -0.948 1.00 0.00 C ATOM 0 H THR A 32 2.017 -12.629 -1.063 1.00 0.00 H new ATOM 0 HA THR A 32 4.329 -10.896 -1.424 1.00 0.00 H new ATOM 0 HB THR A 32 4.989 -12.797 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.725 -14.751 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.527 -14.353 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.825 -12.663 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.373 -13.507 -0.107 1.00 0.00 H new ATOM 518 N GLY A 33 4.116 -10.698 -4.097 1.00 0.00 N ATOM 519 CA GLY A 33 3.831 -10.123 -5.401 1.00 0.00 C ATOM 520 C GLY A 33 2.704 -10.825 -6.138 1.00 0.00 C ATOM 521 O GLY A 33 1.675 -10.208 -6.402 1.00 0.00 O ATOM 0 H GLY A 33 5.104 -10.888 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.574 -9.071 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.733 -10.161 -6.011 1.00 0.00 H new ATOM 525 N PRO A 34 2.873 -12.113 -6.495 1.00 0.00 N ATOM 526 CA PRO A 34 1.852 -12.876 -7.228 1.00 0.00 C ATOM 527 C PRO A 34 0.474 -12.826 -6.562 1.00 0.00 C ATOM 528 O PRO A 34 -0.542 -12.657 -7.239 1.00 0.00 O ATOM 529 CB PRO A 34 2.398 -14.306 -7.215 1.00 0.00 C ATOM 530 CG PRO A 34 3.871 -14.153 -7.067 1.00 0.00 C ATOM 531 CD PRO A 34 4.078 -12.927 -6.226 1.00 0.00 C ATOM 0 HA PRO A 34 1.692 -12.470 -8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.976 -14.882 -6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.146 -14.833 -8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.308 -15.031 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.352 -14.045 -8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.165 -13.176 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.989 -12.398 -6.505 1.00 0.00 H new ATOM 539 N GLN A 35 0.448 -12.958 -5.239 1.00 0.00 N ATOM 540 CA GLN A 35 -0.804 -12.926 -4.487 1.00 0.00 C ATOM 541 C GLN A 35 -1.471 -11.560 -4.600 1.00 0.00 C ATOM 542 O GLN A 35 -2.657 -11.466 -4.924 1.00 0.00 O ATOM 543 CB GLN A 35 -0.551 -13.270 -3.019 1.00 0.00 C ATOM 544 CG GLN A 35 -0.143 -14.716 -2.796 1.00 0.00 C ATOM 545 CD GLN A 35 -1.265 -15.695 -3.083 1.00 0.00 C ATOM 546 OE1 GLN A 35 -2.444 -15.381 -2.906 1.00 0.00 O ATOM 547 NE2 GLN A 35 -0.912 -16.886 -3.539 1.00 0.00 N ATOM 0 H GLN A 35 1.280 -13.088 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.476 -13.671 -4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.230 -12.617 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.454 -13.063 -2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.709 -14.951 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.187 -14.841 -1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.074 -17.109 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.626 -17.581 -3.757 1.00 0.00 H new ATOM 556 N ALA A 36 -0.702 -10.509 -4.342 1.00 0.00 N ATOM 557 CA ALA A 36 -1.199 -9.146 -4.464 1.00 0.00 C ATOM 558 C ALA A 36 -1.653 -8.864 -5.894 1.00 0.00 C ATOM 559 O ALA A 36 -2.754 -8.365 -6.122 1.00 0.00 O ATOM 560 CB ALA A 36 -0.121 -8.160 -4.044 1.00 0.00 C ATOM 0 H ALA A 36 0.272 -10.576 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.059 -9.029 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.501 -7.143 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.160 -8.348 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.753 -8.281 -4.684 1.00 0.00 H new ATOM 566 N ARG A 37 -0.806 -9.227 -6.854 1.00 0.00 N ATOM 567 CA ARG A 37 -1.065 -8.969 -8.266 1.00 0.00 C ATOM 568 C ARG A 37 -2.300 -9.713 -8.764 1.00 0.00 C ATOM 569 O ARG A 37 -2.976 -9.244 -9.675 1.00 0.00 O ATOM 570 CB ARG A 37 0.157 -9.329 -9.114 1.00 0.00 C ATOM 571 CG ARG A 37 1.261 -8.285 -9.041 1.00 0.00 C ATOM 572 CD ARG A 37 2.434 -8.636 -9.940 1.00 0.00 C ATOM 573 NE ARG A 37 3.440 -7.573 -9.945 1.00 0.00 N ATOM 574 CZ ARG A 37 4.718 -7.750 -10.280 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.142 -8.938 -10.686 1.00 0.00 N ATOM 576 NH2 ARG A 37 5.564 -6.729 -10.233 1.00 0.00 N ATOM 0 H ARG A 37 0.076 -9.707 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.262 -7.902 -8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.551 -10.290 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.152 -9.451 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.861 -7.313 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.607 -8.194 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.888 -9.567 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.078 -8.806 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 37 3.144 -6.635 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.490 -9.720 -10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.121 -9.070 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.237 -5.808 -9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.542 -6.865 -10.489 1.00 0.00 H new ATOM 590 N THR A 38 -2.587 -10.868 -8.172 1.00 0.00 N ATOM 591 CA THR A 38 -3.784 -11.628 -8.519 1.00 0.00 C ATOM 592 C THR A 38 -5.033 -10.767 -8.344 1.00 0.00 C ATOM 593 O THR A 38 -5.883 -10.693 -9.230 1.00 0.00 O ATOM 594 CB THR A 38 -3.914 -12.900 -7.652 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.837 -13.807 -7.935 1.00 0.00 O ATOM 596 CG2 THR A 38 -5.247 -13.597 -7.896 1.00 0.00 C ATOM 0 H THR A 38 -2.008 -11.298 -7.451 1.00 0.00 H new ATOM 0 HA THR A 38 -3.690 -11.926 -9.563 1.00 0.00 H new ATOM 0 HB THR A 38 -3.868 -12.598 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.018 -13.488 -7.501 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.311 -14.489 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.063 -12.920 -7.645 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.322 -13.882 -8.945 1.00 0.00 H new ATOM 604 N ILE A 39 -5.126 -10.107 -7.201 1.00 0.00 N ATOM 605 CA ILE A 39 -6.244 -9.222 -6.919 1.00 0.00 C ATOM 606 C ILE A 39 -6.106 -7.922 -7.709 1.00 0.00 C ATOM 607 O ILE A 39 -7.077 -7.409 -8.266 1.00 0.00 O ATOM 608 CB ILE A 39 -6.339 -8.916 -5.411 1.00 0.00 C ATOM 609 CG1 ILE A 39 -6.373 -10.226 -4.617 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.575 -8.073 -5.111 1.00 0.00 C ATOM 611 CD1 ILE A 39 -6.309 -10.038 -3.118 1.00 0.00 C ATOM 0 H ILE A 39 -4.438 -10.168 -6.451 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.160 -9.728 -7.225 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.461 -8.345 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.286 -10.767 -4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.537 -10.851 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.624 -7.868 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.516 -7.133 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.469 -8.616 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.338 -11.011 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.383 -9.526 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.160 -9.441 -2.790 1.00 0.00 H new ATOM 623 N LEU A 40 -4.880 -7.415 -7.775 1.00 0.00 N ATOM 624 CA LEU A 40 -4.591 -6.155 -8.453 1.00 0.00 C ATOM 625 C LEU A 40 -4.957 -6.199 -9.937 1.00 0.00 C ATOM 626 O LEU A 40 -5.448 -5.214 -10.484 1.00 0.00 O ATOM 627 CB LEU A 40 -3.110 -5.800 -8.299 1.00 0.00 C ATOM 628 CG LEU A 40 -2.673 -5.413 -6.883 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.187 -5.099 -6.853 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.477 -4.225 -6.378 1.00 0.00 C ATOM 0 H LEU A 40 -4.062 -7.863 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.207 -5.389 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.513 -6.652 -8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.880 -4.973 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.862 -6.260 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.893 -4.826 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.623 -5.976 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.977 -4.269 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.151 -3.967 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.322 -3.373 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.536 -4.483 -6.361 1.00 0.00 H new ATOM 642 N MET A 41 -4.729 -7.335 -10.584 1.00 0.00 N ATOM 643 CA MET A 41 -4.982 -7.461 -12.022 1.00 0.00 C ATOM 644 C MET A 41 -6.477 -7.402 -12.333 1.00 0.00 C ATOM 645 O MET A 41 -6.873 -7.136 -13.469 1.00 0.00 O ATOM 646 CB MET A 41 -4.383 -8.759 -12.577 1.00 0.00 C ATOM 647 CG MET A 41 -5.078 -10.022 -12.092 1.00 0.00 C ATOM 648 SD MET A 41 -4.344 -11.525 -12.769 1.00 0.00 S ATOM 649 CE MET A 41 -5.404 -12.779 -12.047 1.00 0.00 C ATOM 0 H MET A 41 -4.371 -8.182 -10.142 1.00 0.00 H new ATOM 0 HA MET A 41 -4.496 -6.616 -12.509 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.425 -8.729 -13.666 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.330 -8.808 -12.300 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.035 -10.060 -11.004 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.132 -9.981 -12.368 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.815 -13.668 -11.822 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.848 -12.395 -11.128 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.195 -13.037 -12.752 1.00 0.00 H new ATOM 659 N GLN A 42 -7.307 -7.629 -11.319 1.00 0.00 N ATOM 660 CA GLN A 42 -8.754 -7.627 -11.505 1.00 0.00 C ATOM 661 C GLN A 42 -9.313 -6.207 -11.499 1.00 0.00 C ATOM 662 O GLN A 42 -10.528 -6.011 -11.529 1.00 0.00 O ATOM 663 CB GLN A 42 -9.446 -8.455 -10.421 1.00 0.00 C ATOM 664 CG GLN A 42 -9.127 -9.937 -10.474 1.00 0.00 C ATOM 665 CD GLN A 42 -10.012 -10.742 -9.543 1.00 0.00 C ATOM 666 OE1 GLN A 42 -10.455 -10.249 -8.504 1.00 0.00 O ATOM 667 NE2 GLN A 42 -10.290 -11.980 -9.915 1.00 0.00 N ATOM 0 H GLN A 42 -7.004 -7.816 -10.363 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.954 -8.076 -12.478 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.158 -8.067 -9.444 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.524 -8.323 -10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.251 -10.298 -11.495 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.082 -10.093 -10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.903 -12.351 -10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.891 -12.564 -9.334 1.00 0.00 H new ATOM 676 N SER A 43 -8.423 -5.219 -11.467 1.00 0.00 N ATOM 677 CA SER A 43 -8.828 -3.817 -11.495 1.00 0.00 C ATOM 678 C SER A 43 -9.189 -3.387 -12.912 1.00 0.00 C ATOM 679 O SER A 43 -9.711 -2.290 -13.125 1.00 0.00 O ATOM 680 CB SER A 43 -7.699 -2.936 -10.961 1.00 0.00 C ATOM 681 OG SER A 43 -6.504 -3.153 -11.690 1.00 0.00 O ATOM 0 H SER A 43 -7.414 -5.364 -11.422 1.00 0.00 H new ATOM 0 HA SER A 43 -9.708 -3.702 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.987 -1.887 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.531 -3.152 -9.906 1.00 0.00 H new ATOM 0 HG SER A 43 -5.920 -3.759 -11.188 1.00 0.00 H new ATOM 687 N SER A 44 -8.896 -4.269 -13.872 1.00 0.00 N ATOM 688 CA SER A 44 -9.121 -4.006 -15.292 1.00 0.00 C ATOM 689 C SER A 44 -8.157 -2.933 -15.803 1.00 0.00 C ATOM 690 O SER A 44 -8.353 -2.363 -16.880 1.00 0.00 O ATOM 691 CB SER A 44 -10.577 -3.592 -15.543 1.00 0.00 C ATOM 692 OG SER A 44 -11.481 -4.514 -14.948 1.00 0.00 O ATOM 0 H SER A 44 -8.495 -5.188 -13.683 1.00 0.00 H new ATOM 0 HA SER A 44 -8.929 -4.926 -15.844 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.750 -2.595 -15.137 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.763 -3.536 -16.616 1.00 0.00 H new ATOM 0 HG SER A 44 -12.402 -4.227 -15.121 1.00 0.00 H new ATOM 698 N LEU A 45 -7.109 -2.673 -15.027 1.00 0.00 N ATOM 699 CA LEU A 45 -6.086 -1.710 -15.405 1.00 0.00 C ATOM 700 C LEU A 45 -4.903 -2.430 -16.044 1.00 0.00 C ATOM 701 O LEU A 45 -4.657 -3.602 -15.756 1.00 0.00 O ATOM 702 CB LEU A 45 -5.624 -0.923 -14.172 1.00 0.00 C ATOM 703 CG LEU A 45 -6.716 -0.116 -13.466 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.157 0.552 -12.222 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.309 0.920 -14.411 1.00 0.00 C ATOM 0 H LEU A 45 -6.948 -3.122 -14.125 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.506 -1.012 -16.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.191 -1.622 -13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.828 -0.241 -14.473 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.511 -0.797 -13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.945 1.122 -11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.779 -0.209 -11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.345 1.223 -12.503 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.084 1.484 -13.892 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.525 1.601 -14.743 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.743 0.418 -15.275 1.00 0.00 H new ATOM 717 N PRO A 46 -4.171 -1.753 -16.938 1.00 0.00 N ATOM 718 CA PRO A 46 -3.002 -2.336 -17.601 1.00 0.00 C ATOM 719 C PRO A 46 -1.808 -2.471 -16.656 1.00 0.00 C ATOM 720 O PRO A 46 -1.735 -1.788 -15.633 1.00 0.00 O ATOM 721 CB PRO A 46 -2.696 -1.338 -18.718 1.00 0.00 C ATOM 722 CG PRO A 46 -3.220 -0.038 -18.215 1.00 0.00 C ATOM 723 CD PRO A 46 -4.427 -0.369 -17.383 1.00 0.00 C ATOM 0 HA PRO A 46 -3.195 -3.348 -17.958 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.626 -1.283 -18.918 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.181 -1.626 -19.651 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.468 0.482 -17.621 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.485 0.621 -19.041 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.531 0.311 -16.538 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.347 -0.298 -17.964 1.00 0.00 H new ATOM 731 N GLN A 47 -0.870 -3.341 -17.020 1.00 0.00 N ATOM 732 CA GLN A 47 0.304 -3.615 -16.194 1.00 0.00 C ATOM 733 C GLN A 47 1.133 -2.352 -15.971 1.00 0.00 C ATOM 734 O GLN A 47 1.721 -2.171 -14.908 1.00 0.00 O ATOM 735 CB GLN A 47 1.162 -4.698 -16.856 1.00 0.00 C ATOM 736 CG GLN A 47 2.430 -5.040 -16.092 1.00 0.00 C ATOM 737 CD GLN A 47 3.294 -6.047 -16.825 1.00 0.00 C ATOM 738 OE1 GLN A 47 3.153 -7.255 -16.644 1.00 0.00 O ATOM 739 NE2 GLN A 47 4.180 -5.557 -17.675 1.00 0.00 N ATOM 0 H GLN A 47 -0.901 -3.873 -17.890 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.038 -3.967 -15.221 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.564 -5.602 -16.968 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.433 -4.369 -17.859 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.004 -4.129 -15.921 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.164 -5.438 -15.113 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.266 -4.548 -17.797 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.777 -6.188 -18.209 1.00 0.00 H new ATOM 748 N ALA A 48 1.168 -1.482 -16.976 1.00 0.00 N ATOM 749 CA ALA A 48 1.898 -0.222 -16.888 1.00 0.00 C ATOM 750 C ALA A 48 1.473 0.584 -15.663 1.00 0.00 C ATOM 751 O ALA A 48 2.312 1.004 -14.864 1.00 0.00 O ATOM 752 CB ALA A 48 1.686 0.589 -18.157 1.00 0.00 C ATOM 0 H ALA A 48 0.695 -1.629 -17.868 1.00 0.00 H new ATOM 0 HA ALA A 48 2.959 -0.450 -16.781 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.234 1.528 -18.084 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.048 0.023 -19.015 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.623 0.797 -18.282 1.00 0.00 H new ATOM 758 N GLN A 49 0.169 0.777 -15.506 1.00 0.00 N ATOM 759 CA GLN A 49 -0.355 1.526 -14.373 1.00 0.00 C ATOM 760 C GLN A 49 -0.190 0.726 -13.088 1.00 0.00 C ATOM 761 O GLN A 49 0.135 1.279 -12.041 1.00 0.00 O ATOM 762 CB GLN A 49 -1.826 1.882 -14.589 1.00 0.00 C ATOM 763 CG GLN A 49 -2.061 2.802 -15.775 1.00 0.00 C ATOM 764 CD GLN A 49 -3.493 3.293 -15.848 1.00 0.00 C ATOM 765 OE1 GLN A 49 -4.347 2.656 -16.458 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.763 4.433 -15.231 1.00 0.00 N ATOM 0 H GLN A 49 -0.542 0.426 -16.147 1.00 0.00 H new ATOM 0 HA GLN A 49 0.212 2.453 -14.286 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.396 0.964 -14.733 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.212 2.359 -13.688 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.389 3.658 -15.707 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.813 2.274 -16.696 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.024 4.932 -14.735 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.710 4.812 -15.252 1.00 0.00 H new ATOM 775 N LEU A 50 -0.389 -0.583 -13.187 1.00 0.00 N ATOM 776 CA LEU A 50 -0.256 -1.475 -12.044 1.00 0.00 C ATOM 777 C LEU A 50 1.159 -1.437 -11.469 1.00 0.00 C ATOM 778 O LEU A 50 1.345 -1.475 -10.252 1.00 0.00 O ATOM 779 CB LEU A 50 -0.629 -2.900 -12.457 1.00 0.00 C ATOM 780 CG LEU A 50 -2.114 -3.124 -12.756 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.363 -4.569 -13.159 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.967 -2.751 -11.552 1.00 0.00 C ATOM 0 H LEU A 50 -0.645 -1.052 -14.056 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.936 -1.137 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.052 -3.167 -13.342 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.328 -3.582 -11.662 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.397 -2.479 -13.588 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.423 -4.711 -13.368 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.783 -4.803 -14.052 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.062 -5.230 -12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.019 -2.918 -11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.683 -3.368 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.812 -1.700 -11.308 1.00 0.00 H new ATOM 794 N ALA A 51 2.153 -1.349 -12.343 1.00 0.00 N ATOM 795 CA ALA A 51 3.542 -1.268 -11.911 1.00 0.00 C ATOM 796 C ALA A 51 3.829 0.078 -11.261 1.00 0.00 C ATOM 797 O ALA A 51 4.566 0.161 -10.277 1.00 0.00 O ATOM 798 CB ALA A 51 4.479 -1.499 -13.086 1.00 0.00 C ATOM 0 H ALA A 51 2.023 -1.332 -13.355 1.00 0.00 H new ATOM 0 HA ALA A 51 3.713 -2.049 -11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.512 -1.435 -12.745 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.297 -2.487 -13.508 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.301 -0.741 -13.848 1.00 0.00 H new ATOM 804 N SER A 52 3.236 1.130 -11.809 1.00 0.00 N ATOM 805 CA SER A 52 3.413 2.470 -11.273 1.00 0.00 C ATOM 806 C SER A 52 2.787 2.565 -9.882 1.00 0.00 C ATOM 807 O SER A 52 3.396 3.090 -8.952 1.00 0.00 O ATOM 808 CB SER A 52 2.796 3.508 -12.218 1.00 0.00 C ATOM 809 OG SER A 52 3.040 4.834 -11.774 1.00 0.00 O ATOM 0 H SER A 52 2.627 1.080 -12.626 1.00 0.00 H new ATOM 0 HA SER A 52 4.479 2.678 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.207 3.378 -13.219 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.721 3.341 -12.290 1.00 0.00 H new ATOM 0 HG SER A 52 2.634 5.469 -12.401 1.00 0.00 H new ATOM 815 N ILE A 53 1.577 2.034 -9.747 1.00 0.00 N ATOM 816 CA ILE A 53 0.886 2.006 -8.462 1.00 0.00 C ATOM 817 C ILE A 53 1.642 1.129 -7.469 1.00 0.00 C ATOM 818 O ILE A 53 1.742 1.461 -6.288 1.00 0.00 O ATOM 819 CB ILE A 53 -0.562 1.488 -8.622 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.377 2.456 -9.488 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.224 1.295 -7.264 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.773 1.966 -9.812 1.00 0.00 C ATOM 0 H ILE A 53 1.052 1.615 -10.515 1.00 0.00 H new ATOM 0 HA ILE A 53 0.849 3.026 -8.080 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.528 0.518 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.450 3.414 -8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.840 2.634 -10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.242 0.930 -7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.655 0.570 -6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.250 2.247 -6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.285 2.706 -10.427 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.711 1.023 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.330 1.816 -8.887 1.00 0.00 H new ATOM 834 N TRP A 54 2.182 0.013 -7.952 1.00 0.00 N ATOM 835 CA TRP A 54 2.986 -0.865 -7.112 1.00 0.00 C ATOM 836 C TRP A 54 4.184 -0.109 -6.556 1.00 0.00 C ATOM 837 O TRP A 54 4.460 -0.160 -5.365 1.00 0.00 O ATOM 838 CB TRP A 54 3.474 -2.082 -7.899 1.00 0.00 C ATOM 839 CG TRP A 54 4.226 -3.061 -7.045 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.544 -3.001 -6.687 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.696 -4.238 -6.430 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.863 -4.070 -5.886 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.745 -4.846 -5.716 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.436 -4.840 -6.414 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.571 -6.022 -4.994 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.266 -6.009 -5.695 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.328 -6.590 -4.995 1.00 0.00 C ATOM 0 H TRP A 54 2.077 -0.302 -8.916 1.00 0.00 H new ATOM 0 HA TRP A 54 2.358 -1.209 -6.290 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.619 -2.583 -8.352 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.116 -1.749 -8.714 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.233 -2.227 -6.990 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.781 -4.256 -5.483 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.610 -4.401 -6.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.390 -6.471 -4.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.295 -6.482 -5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.163 -7.505 -4.445 1.00 0.00 H new ATOM 858 N ASN A 55 4.881 0.602 -7.431 1.00 0.00 N ATOM 859 CA ASN A 55 6.060 1.372 -7.037 1.00 0.00 C ATOM 860 C ASN A 55 5.702 2.405 -5.965 1.00 0.00 C ATOM 861 O ASN A 55 6.510 2.725 -5.097 1.00 0.00 O ATOM 862 CB ASN A 55 6.666 2.068 -8.262 1.00 0.00 C ATOM 863 CG ASN A 55 7.943 2.833 -7.950 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.916 4.027 -7.646 1.00 0.00 O ATOM 865 ND2 ASN A 55 9.075 2.151 -8.038 1.00 0.00 N ATOM 0 H ASN A 55 4.652 0.664 -8.423 1.00 0.00 H new ATOM 0 HA ASN A 55 6.795 0.686 -6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.876 1.322 -9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.932 2.756 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.965 2.613 -7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.057 1.163 -8.293 1.00 0.00 H new ATOM 872 N LEU A 56 4.478 2.916 -6.045 1.00 0.00 N ATOM 873 CA LEU A 56 3.966 3.880 -5.078 1.00 0.00 C ATOM 874 C LEU A 56 3.641 3.216 -3.738 1.00 0.00 C ATOM 875 O LEU A 56 3.705 3.855 -2.689 1.00 0.00 O ATOM 876 CB LEU A 56 2.713 4.564 -5.638 1.00 0.00 C ATOM 877 CG LEU A 56 2.955 5.501 -6.822 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.636 6.021 -7.368 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.854 6.659 -6.414 1.00 0.00 C ATOM 0 H LEU A 56 3.814 2.674 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 56 4.743 4.624 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.005 3.794 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.240 5.132 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 56 3.456 4.936 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.828 6.686 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.024 5.183 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.109 6.568 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.014 7.314 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.380 7.222 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.813 6.271 -6.069 1.00 0.00 H new ATOM 891 N SER A 57 3.295 1.935 -3.782 1.00 0.00 N ATOM 892 CA SER A 57 2.836 1.226 -2.595 1.00 0.00 C ATOM 893 C SER A 57 3.942 0.379 -1.961 1.00 0.00 C ATOM 894 O SER A 57 3.833 -0.008 -0.797 1.00 0.00 O ATOM 895 CB SER A 57 1.642 0.338 -2.954 1.00 0.00 C ATOM 896 OG SER A 57 1.143 -0.343 -1.816 1.00 0.00 O ATOM 0 H SER A 57 3.324 1.366 -4.628 1.00 0.00 H new ATOM 0 HA SER A 57 2.538 1.974 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.851 0.948 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.940 -0.387 -3.712 1.00 0.00 H new ATOM 0 HG SER A 57 1.862 -0.453 -1.159 1.00 0.00 H new ATOM 902 N ASP A 58 4.989 0.082 -2.722 1.00 0.00 N ATOM 903 CA ASP A 58 6.083 -0.753 -2.231 1.00 0.00 C ATOM 904 C ASP A 58 7.012 0.086 -1.352 1.00 0.00 C ATOM 905 O ASP A 58 7.917 0.761 -1.849 1.00 0.00 O ATOM 906 CB ASP A 58 6.854 -1.366 -3.412 1.00 0.00 C ATOM 907 CG ASP A 58 7.670 -2.587 -3.028 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.797 -2.873 -1.822 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.188 -3.273 -3.941 1.00 0.00 O ATOM 0 H ASP A 58 5.105 0.406 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 58 5.676 -1.568 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.147 -1.642 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.518 -0.612 -3.834 1.00 0.00 H new ATOM 914 N ILE A 59 6.758 0.061 -0.047 1.00 0.00 N ATOM 915 CA ILE A 59 7.457 0.927 0.895 1.00 0.00 C ATOM 916 C ILE A 59 8.889 0.460 1.144 1.00 0.00 C ATOM 917 O ILE A 59 9.828 1.261 1.084 1.00 0.00 O ATOM 918 CB ILE A 59 6.707 1.008 2.240 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.262 1.476 2.027 1.00 0.00 C ATOM 920 CG2 ILE A 59 7.432 1.941 3.200 1.00 0.00 C ATOM 921 CD1 ILE A 59 5.143 2.857 1.412 1.00 0.00 C ATOM 0 H ILE A 59 6.068 -0.554 0.384 1.00 0.00 H new ATOM 0 HA ILE A 59 7.489 1.917 0.440 1.00 0.00 H new ATOM 0 HB ILE A 59 6.683 0.010 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.750 0.759 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.745 1.471 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.889 1.986 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.440 1.567 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.487 2.939 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.090 3.113 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.624 3.588 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.629 2.864 0.436 1.00 0.00 H new ATOM 933 N ASP A 60 9.069 -0.822 1.430 1.00 0.00 N ATOM 934 CA ASP A 60 10.407 -1.332 1.703 1.00 0.00 C ATOM 935 C ASP A 60 11.083 -1.770 0.413 1.00 0.00 C ATOM 936 O ASP A 60 12.277 -2.077 0.404 1.00 0.00 O ATOM 937 CB ASP A 60 10.403 -2.469 2.738 1.00 0.00 C ATOM 938 CG ASP A 60 9.623 -3.700 2.315 1.00 0.00 C ATOM 939 OD1 ASP A 60 10.124 -4.477 1.476 1.00 0.00 O ATOM 940 OD2 ASP A 60 8.519 -3.920 2.859 1.00 0.00 O ATOM 0 H ASP A 60 8.323 -1.516 1.479 1.00 0.00 H new ATOM 0 HA ASP A 60 10.981 -0.515 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.433 -2.760 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.985 -2.092 3.672 1.00 0.00 H new ATOM 945 N GLN A 61 10.310 -1.775 -0.669 1.00 0.00 N ATOM 946 CA GLN A 61 10.819 -2.052 -2.009 1.00 0.00 C ATOM 947 C GLN A 61 11.405 -3.451 -2.108 1.00 0.00 C ATOM 948 O GLN A 61 12.621 -3.647 -2.051 1.00 0.00 O ATOM 949 CB GLN A 61 11.839 -0.991 -2.440 1.00 0.00 C ATOM 950 CG GLN A 61 11.231 0.393 -2.597 1.00 0.00 C ATOM 951 CD GLN A 61 12.252 1.454 -2.960 1.00 0.00 C ATOM 952 OE1 GLN A 61 13.261 1.181 -3.610 1.00 0.00 O ATOM 953 NE2 GLN A 61 11.987 2.680 -2.546 1.00 0.00 N ATOM 0 H GLN A 61 9.308 -1.586 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 61 9.975 -2.005 -2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.641 -0.947 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.290 -1.292 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.461 0.360 -3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.739 0.675 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.140 2.865 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.630 3.442 -2.763 1.00 0.00 H new ATOM 962 N ASP A 62 10.527 -4.425 -2.253 1.00 0.00 N ATOM 963 CA ASP A 62 10.941 -5.808 -2.421 1.00 0.00 C ATOM 964 C ASP A 62 9.961 -6.542 -3.309 1.00 0.00 C ATOM 965 O ASP A 62 10.346 -7.184 -4.289 1.00 0.00 O ATOM 966 CB ASP A 62 11.046 -6.520 -1.074 1.00 0.00 C ATOM 967 CG ASP A 62 11.523 -7.952 -1.211 1.00 0.00 C ATOM 968 OD1 ASP A 62 12.755 -8.167 -1.272 1.00 0.00 O ATOM 969 OD2 ASP A 62 10.679 -8.871 -1.239 1.00 0.00 O ATOM 0 H ASP A 62 9.517 -4.284 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 62 11.926 -5.808 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.733 -5.972 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.072 -6.510 -0.584 1.00 0.00 H new ATOM 974 N GLY A 63 8.691 -6.420 -2.977 1.00 0.00 N ATOM 975 CA GLY A 63 7.665 -7.110 -3.721 1.00 0.00 C ATOM 976 C GLY A 63 6.653 -7.785 -2.821 1.00 0.00 C ATOM 977 O GLY A 63 5.989 -8.736 -3.231 1.00 0.00 O ATOM 0 H GLY A 63 8.350 -5.852 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.153 -6.401 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.128 -7.857 -4.366 1.00 0.00 H new ATOM 981 N LYS A 64 6.546 -7.309 -1.586 1.00 0.00 N ATOM 982 CA LYS A 64 5.562 -7.833 -0.649 1.00 0.00 C ATOM 983 C LYS A 64 4.615 -6.717 -0.217 1.00 0.00 C ATOM 984 O LYS A 64 5.055 -5.619 0.114 1.00 0.00 O ATOM 985 CB LYS A 64 6.246 -8.437 0.583 1.00 0.00 C ATOM 986 CG LYS A 64 7.413 -9.358 0.261 1.00 0.00 C ATOM 987 CD LYS A 64 7.953 -10.027 1.515 1.00 0.00 C ATOM 988 CE LYS A 64 9.451 -10.294 1.428 1.00 0.00 C ATOM 989 NZ LYS A 64 9.855 -10.907 0.134 1.00 0.00 N ATOM 0 H LYS A 64 7.129 -6.561 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 64 4.997 -8.619 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.602 -7.627 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.507 -8.994 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.092 -10.119 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.207 -8.787 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.748 -9.394 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.427 -10.968 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.991 -9.357 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.746 -10.953 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.815 -11.297 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.192 -11.670 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.840 -10.183 -0.613 1.00 0.00 H new ATOM 1003 N LEU A 65 3.319 -7.001 -0.228 1.00 0.00 N ATOM 1004 CA LEU A 65 2.317 -6.028 0.192 1.00 0.00 C ATOM 1005 C LEU A 65 1.657 -6.463 1.490 1.00 0.00 C ATOM 1006 O LEU A 65 0.975 -7.490 1.539 1.00 0.00 O ATOM 1007 CB LEU A 65 1.239 -5.837 -0.886 1.00 0.00 C ATOM 1008 CG LEU A 65 1.666 -5.049 -2.129 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.449 -4.693 -2.970 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.432 -3.792 -1.740 1.00 0.00 C ATOM 0 H LEU A 65 2.936 -7.899 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 65 2.831 -5.079 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.893 -6.820 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.386 -5.330 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 65 2.330 -5.678 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.766 -4.133 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.056 -5.606 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.236 -4.084 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.724 -3.251 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.797 -3.155 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.324 -4.069 -1.178 1.00 0.00 H new ATOM 1022 N THR A 66 1.871 -5.693 2.544 1.00 0.00 N ATOM 1023 CA THR A 66 1.203 -5.939 3.811 1.00 0.00 C ATOM 1024 C THR A 66 -0.259 -5.507 3.729 1.00 0.00 C ATOM 1025 O THR A 66 -0.719 -5.041 2.683 1.00 0.00 O ATOM 1026 CB THR A 66 1.890 -5.191 4.969 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.906 -3.785 4.706 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.320 -5.669 5.177 1.00 0.00 C ATOM 0 H THR A 66 2.502 -4.892 2.547 1.00 0.00 H new ATOM 0 HA THR A 66 1.262 -7.009 4.009 1.00 0.00 H new ATOM 0 HB THR A 66 1.319 -5.398 5.874 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.343 -3.318 5.448 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.771 -5.118 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.317 -6.734 5.410 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.897 -5.498 4.268 1.00 0.00 H new ATOM 1036 N ALA A 67 -0.985 -5.655 4.827 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.391 -5.284 4.865 1.00 0.00 C ATOM 1038 C ALA A 67 -2.572 -3.803 4.554 1.00 0.00 C ATOM 1039 O ALA A 67 -3.357 -3.436 3.678 1.00 0.00 O ATOM 1040 CB ALA A 67 -2.993 -5.622 6.220 1.00 0.00 C ATOM 0 H ALA A 67 -0.623 -6.030 5.704 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.915 -5.857 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.045 -5.338 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.904 -6.693 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.462 -5.077 7.000 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.824 -2.961 5.256 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.920 -1.522 5.084 1.00 0.00 C ATOM 1048 C GLU A 68 -1.422 -1.071 3.711 1.00 0.00 C ATOM 1049 O GLU A 68 -1.923 -0.095 3.154 1.00 0.00 O ATOM 1050 CB GLU A 68 -1.168 -0.795 6.192 1.00 0.00 C ATOM 1051 CG GLU A 68 0.109 -1.472 6.639 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.123 -2.521 7.711 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -0.289 -2.145 8.890 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -0.139 -3.725 7.381 1.00 0.00 O ATOM 0 H GLU A 68 -1.141 -3.255 5.954 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.976 -1.261 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.929 0.212 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.828 -0.691 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.587 -1.939 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.800 -0.719 7.018 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.454 -1.788 3.158 1.00 0.00 N ATOM 1062 CA GLU A 69 0.086 -1.439 1.849 1.00 0.00 C ATOM 1063 C GLU A 69 -0.916 -1.789 0.760 1.00 0.00 C ATOM 1064 O GLU A 69 -1.154 -1.005 -0.159 1.00 0.00 O ATOM 1065 CB GLU A 69 1.409 -2.161 1.593 1.00 0.00 C ATOM 1066 CG GLU A 69 2.542 -1.708 2.499 1.00 0.00 C ATOM 1067 CD GLU A 69 3.791 -2.545 2.325 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.774 -3.722 2.742 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.791 -2.030 1.787 1.00 0.00 O ATOM 0 H GLU A 69 -0.029 -2.608 3.590 1.00 0.00 H new ATOM 0 HA GLU A 69 0.273 -0.365 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.258 -3.233 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.702 -2.005 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.776 -0.664 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.215 -1.759 3.538 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.521 -2.961 0.887 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.497 -3.429 -0.083 1.00 0.00 C ATOM 1078 C PHE A 70 -3.685 -2.466 -0.153 1.00 0.00 C ATOM 1079 O PHE A 70 -4.198 -2.173 -1.234 1.00 0.00 O ATOM 1080 CB PHE A 70 -2.965 -4.839 0.287 1.00 0.00 C ATOM 1081 CG PHE A 70 -3.697 -5.546 -0.819 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.035 -5.293 -1.054 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.045 -6.471 -1.622 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -5.708 -5.939 -2.067 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -3.718 -7.122 -2.641 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.055 -6.854 -2.859 1.00 0.00 C ATOM 0 H PHE A 70 -1.351 -3.608 1.657 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.029 -3.463 -1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.099 -5.435 0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.615 -4.778 1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.559 -4.580 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.001 -6.685 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.753 -5.726 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.200 -7.837 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.587 -7.362 -3.650 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.108 -1.966 1.007 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.197 -0.990 1.072 1.00 0.00 C ATOM 1098 C ILE A 71 -4.833 0.276 0.300 1.00 0.00 C ATOM 1099 O ILE A 71 -5.638 0.803 -0.474 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.533 -0.611 2.534 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -5.977 -1.849 3.319 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.620 0.459 2.572 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.180 -1.592 4.797 1.00 0.00 C ATOM 0 H ILE A 71 -3.715 -2.219 1.913 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.073 -1.456 0.620 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.634 -0.208 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.908 -2.224 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.231 -2.634 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.844 0.714 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.273 1.349 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.521 0.080 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.494 -2.514 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.245 -1.247 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.948 -0.830 4.932 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.611 0.752 0.516 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.108 1.932 -0.176 1.00 0.00 C ATOM 1117 C LEU A 72 -3.133 1.712 -1.686 1.00 0.00 C ATOM 1118 O LEU A 72 -3.656 2.540 -2.437 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.682 2.247 0.289 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.019 3.451 -0.389 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.773 4.732 -0.072 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.435 3.568 0.038 1.00 0.00 C ATOM 0 H LEU A 72 -2.948 0.335 1.169 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.752 2.779 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.699 2.422 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.060 1.368 0.119 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.051 3.296 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.284 5.573 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.799 4.648 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.777 4.894 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.890 4.428 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.487 3.697 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.971 2.662 -0.245 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.587 0.581 -2.112 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.544 0.225 -3.523 1.00 0.00 C ATOM 1136 C ALA A 73 -3.944 0.188 -4.130 1.00 0.00 C ATOM 1137 O ALA A 73 -4.193 0.798 -5.168 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.855 -1.116 -3.708 1.00 0.00 C ATOM 0 H ALA A 73 -2.164 -0.111 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.972 0.993 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.830 -1.369 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.836 -1.058 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.403 -1.885 -3.164 1.00 0.00 H new ATOM 1144 N MET A 74 -4.862 -0.508 -3.467 1.00 0.00 N ATOM 1145 CA MET A 74 -6.225 -0.658 -3.975 1.00 0.00 C ATOM 1146 C MET A 74 -6.939 0.684 -4.087 1.00 0.00 C ATOM 1147 O MET A 74 -7.762 0.880 -4.980 1.00 0.00 O ATOM 1148 CB MET A 74 -7.037 -1.600 -3.092 1.00 0.00 C ATOM 1149 CG MET A 74 -6.620 -3.053 -3.220 1.00 0.00 C ATOM 1150 SD MET A 74 -6.812 -3.696 -4.896 1.00 0.00 S ATOM 1151 CE MET A 74 -8.590 -3.612 -5.101 1.00 0.00 C ATOM 0 H MET A 74 -4.689 -0.977 -2.578 1.00 0.00 H new ATOM 0 HA MET A 74 -6.145 -1.086 -4.974 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.934 -1.290 -2.052 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.092 -1.508 -3.349 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.579 -3.155 -2.915 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.214 -3.658 -2.534 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.888 -4.225 -5.951 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.078 -3.981 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.887 -2.578 -5.277 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.623 1.612 -3.191 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.220 2.938 -3.260 1.00 0.00 C ATOM 1163 C HIS A 75 -6.672 3.689 -4.468 1.00 0.00 C ATOM 1164 O HIS A 75 -7.387 4.462 -5.100 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.981 3.736 -1.974 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.684 5.063 -1.964 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -7.195 6.324 -2.002 1.00 0.00 N flip ATOM 1168 CD2 HIS A 75 -9.056 5.189 -1.926 1.00 0.00 C flip ATOM 1169 CE1 HIS A 75 -8.267 7.181 -1.984 1.00 0.00 C flip ATOM 1170 NE2 HIS A 75 -9.376 6.471 -1.939 1.00 0.00 N flip ATOM 0 H HIS A 75 -5.968 1.474 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.298 2.818 -3.370 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.317 3.147 -1.121 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.911 3.898 -1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.759 4.369 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -8.211 8.259 -2.004 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.324 6.848 -1.918 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.402 3.453 -4.785 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.793 4.034 -5.974 1.00 0.00 C ATOM 1181 C LEU A 76 -5.397 3.408 -7.228 1.00 0.00 C ATOM 1182 O LEU A 76 -5.584 4.083 -8.242 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.274 3.844 -5.954 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.552 4.515 -4.782 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.065 4.197 -4.817 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.772 6.021 -4.804 1.00 0.00 C ATOM 0 H LEU A 76 -4.777 2.864 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.998 5.105 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.057 2.776 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.862 4.233 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.969 4.120 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.569 4.683 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.922 3.119 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.637 4.562 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.250 6.477 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.385 6.432 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.838 6.234 -4.728 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.708 2.113 -7.147 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.453 1.433 -8.203 1.00 0.00 C ATOM 1200 C ILE A 77 -7.791 2.135 -8.430 1.00 0.00 C ATOM 1201 O ILE A 77 -8.173 2.405 -9.568 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.688 -0.074 -7.874 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.583 -0.950 -8.474 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.050 -0.555 -8.366 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.221 -0.748 -7.852 1.00 0.00 C ATOM 0 H ILE A 77 -5.454 1.516 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.855 1.480 -9.113 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.663 -0.167 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.867 -1.997 -8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.515 -0.747 -9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.175 -1.609 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.837 0.027 -7.886 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.112 -0.427 -9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.499 -1.406 -8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.911 0.289 -7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.269 -0.981 -6.788 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.487 2.441 -7.336 1.00 0.00 N ATOM 1218 CA ASP A 78 -9.764 3.151 -7.400 1.00 0.00 C ATOM 1219 C ASP A 78 -9.602 4.493 -8.110 1.00 0.00 C ATOM 1220 O ASP A 78 -10.384 4.834 -8.997 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.327 3.368 -5.992 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.617 4.168 -5.988 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.697 3.569 -6.165 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.557 5.400 -5.786 1.00 0.00 O ATOM 0 H ASP A 78 -8.186 2.207 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.464 2.539 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.505 2.400 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.584 3.884 -5.385 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.568 5.237 -7.721 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.271 6.533 -8.326 1.00 0.00 C ATOM 1231 C VAL A 79 -8.080 6.404 -9.837 1.00 0.00 C ATOM 1232 O VAL A 79 -8.736 7.101 -10.617 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.004 7.159 -7.696 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.638 8.467 -8.382 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.202 7.390 -6.206 1.00 0.00 C ATOM 0 H VAL A 79 -7.918 4.961 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.123 7.185 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.183 6.456 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.744 8.883 -7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.446 8.282 -9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.462 9.174 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.299 7.831 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.043 8.066 -6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.406 6.439 -5.714 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.213 5.485 -10.246 1.00 0.00 N ATOM 1246 CA ALA A 80 -6.927 5.277 -11.659 1.00 0.00 C ATOM 1247 C ALA A 80 -8.166 4.785 -12.404 1.00 0.00 C ATOM 1248 O ALA A 80 -8.475 5.268 -13.493 1.00 0.00 O ATOM 1249 CB ALA A 80 -5.779 4.296 -11.826 1.00 0.00 C ATOM 0 H ALA A 80 -6.695 4.871 -9.617 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.635 6.234 -12.091 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.576 4.150 -12.887 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.888 4.692 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.047 3.341 -11.373 1.00 0.00 H new ATOM 1255 N MET A 81 -8.874 3.835 -11.802 1.00 0.00 N ATOM 1256 CA MET A 81 -10.064 3.257 -12.397 1.00 0.00 C ATOM 1257 C MET A 81 -11.149 4.312 -12.608 1.00 0.00 C ATOM 1258 O MET A 81 -11.954 4.211 -13.531 1.00 0.00 O ATOM 1259 CB MET A 81 -10.569 2.156 -11.476 1.00 0.00 C ATOM 1260 CG MET A 81 -11.173 0.975 -12.196 1.00 0.00 C ATOM 1261 SD MET A 81 -12.895 1.232 -12.662 1.00 0.00 S ATOM 1262 CE MET A 81 -13.228 -0.282 -13.560 1.00 0.00 C ATOM 0 H MET A 81 -8.636 3.447 -10.889 1.00 0.00 H new ATOM 0 HA MET A 81 -9.816 2.849 -13.377 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.742 1.806 -10.859 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.315 2.576 -10.801 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.588 0.766 -13.092 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.104 0.094 -11.558 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.259 -0.275 -13.915 1.00 0.00 H new ATOM 0 HE2 MET A 81 -12.551 -0.356 -14.411 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.077 -1.137 -12.901 1.00 0.00 H new ATOM 1272 N SER A 82 -11.153 5.335 -11.761 1.00 0.00 N ATOM 1273 CA SER A 82 -12.149 6.396 -11.847 1.00 0.00 C ATOM 1274 C SER A 82 -11.756 7.448 -12.886 1.00 0.00 C ATOM 1275 O SER A 82 -12.421 8.477 -13.024 1.00 0.00 O ATOM 1276 CB SER A 82 -12.328 7.051 -10.478 1.00 0.00 C ATOM 1277 OG SER A 82 -12.647 6.082 -9.491 1.00 0.00 O ATOM 0 H SER A 82 -10.477 5.452 -11.006 1.00 0.00 H new ATOM 0 HA SER A 82 -13.092 5.951 -12.163 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.413 7.574 -10.198 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.120 7.799 -10.529 1.00 0.00 H new ATOM 0 HG SER A 82 -11.922 5.425 -9.431 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.673 7.188 -13.610 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.248 8.091 -14.661 1.00 0.00 C ATOM 1285 C GLY A 83 -9.375 9.218 -14.148 1.00 0.00 C ATOM 1286 O GLY A 83 -9.082 10.166 -14.875 1.00 0.00 O ATOM 0 H GLY A 83 -10.081 6.366 -13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.701 7.529 -15.418 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.127 8.512 -15.150 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.963 9.125 -12.893 1.00 0.00 N ATOM 1291 CA GLN A 84 -8.123 10.145 -12.297 1.00 0.00 C ATOM 1292 C GLN A 84 -6.655 9.802 -12.514 1.00 0.00 C ATOM 1293 O GLN A 84 -6.281 8.627 -12.515 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.426 10.264 -10.805 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.873 10.611 -10.500 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.159 10.637 -9.011 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -9.285 10.946 -8.206 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -11.387 10.318 -8.638 1.00 0.00 N ATOM 0 H GLN A 84 -9.198 8.353 -12.270 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.332 11.103 -12.774 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.177 9.322 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.780 11.028 -10.372 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.109 11.585 -10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.527 9.884 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.084 10.067 -9.339 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.637 10.323 -7.649 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.808 10.820 -12.722 1.00 0.00 N ATOM 1308 CA PRO A 85 -4.377 10.618 -12.931 1.00 0.00 C ATOM 1309 C PRO A 85 -3.650 10.286 -11.632 1.00 0.00 C ATOM 1310 O PRO A 85 -4.195 10.456 -10.539 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.908 11.967 -13.477 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.854 12.956 -12.889 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.178 12.250 -12.772 1.00 0.00 C ATOM 0 HA PRO A 85 -4.172 9.780 -13.597 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.880 12.178 -13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.939 11.987 -14.566 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.506 13.296 -11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.938 13.839 -13.522 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.717 12.556 -11.875 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.824 12.467 -13.622 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.420 9.814 -11.755 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.606 9.503 -10.590 1.00 0.00 C ATOM 1323 C LEU A 86 -0.787 10.721 -10.183 1.00 0.00 C ATOM 1324 O LEU A 86 -0.410 11.534 -11.032 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.684 8.313 -10.883 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.401 6.994 -11.177 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -0.394 5.908 -11.520 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.260 6.573 -9.990 1.00 0.00 C ATOM 0 H LEU A 86 -1.963 9.638 -12.650 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.265 9.233 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.053 8.564 -11.736 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.023 8.167 -10.029 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.055 7.142 -12.036 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.920 4.976 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.176 6.205 -12.400 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.285 5.763 -10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.762 5.633 -10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.628 6.442 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.006 7.342 -9.789 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.529 10.894 -8.880 1.00 0.00 N ATOM 1341 CA PRO A 87 0.274 12.014 -8.391 1.00 0.00 C ATOM 1342 C PRO A 87 1.743 11.879 -8.779 1.00 0.00 C ATOM 1343 O PRO A 87 2.240 10.771 -8.981 1.00 0.00 O ATOM 1344 CB PRO A 87 0.119 11.940 -6.870 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.268 10.529 -6.580 1.00 0.00 C ATOM 1346 CD PRO A 87 -1.014 10.030 -7.787 1.00 0.00 C ATOM 0 HA PRO A 87 -0.054 12.962 -8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.049 12.204 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.642 12.636 -6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.614 9.917 -6.389 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.893 10.474 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.801 8.979 -7.983 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.092 10.118 -7.656 1.00 0.00 H new ATOM 1354 N PRO A 88 2.454 13.011 -8.891 1.00 0.00 N ATOM 1355 CA PRO A 88 3.892 13.007 -9.164 1.00 0.00 C ATOM 1356 C PRO A 88 4.666 12.364 -8.019 1.00 0.00 C ATOM 1357 O PRO A 88 5.617 11.608 -8.234 1.00 0.00 O ATOM 1358 CB PRO A 88 4.245 14.493 -9.292 1.00 0.00 C ATOM 1359 CG PRO A 88 3.137 15.222 -8.612 1.00 0.00 C ATOM 1360 CD PRO A 88 1.910 14.373 -8.785 1.00 0.00 C ATOM 0 HA PRO A 88 4.147 12.433 -10.055 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.205 14.711 -8.823 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.327 14.789 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.361 15.373 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.993 16.209 -9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.231 14.470 -7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.349 14.653 -9.677 1.00 0.00 H new ATOM 1368 N VAL A 89 4.231 12.665 -6.803 1.00 0.00 N ATOM 1369 CA VAL A 89 4.800 12.097 -5.594 1.00 0.00 C ATOM 1370 C VAL A 89 3.654 11.808 -4.639 1.00 0.00 C ATOM 1371 O VAL A 89 2.605 12.446 -4.728 1.00 0.00 O ATOM 1372 CB VAL A 89 5.803 13.059 -4.900 1.00 0.00 C ATOM 1373 CG1 VAL A 89 6.551 12.352 -3.781 1.00 0.00 C ATOM 1374 CG2 VAL A 89 6.782 13.656 -5.895 1.00 0.00 C ATOM 0 H VAL A 89 3.466 13.317 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 89 5.350 11.195 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 89 5.223 13.875 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.247 13.048 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.839 11.994 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.104 11.507 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.468 14.324 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.347 12.856 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.234 14.217 -6.652 1.00 0.00 H new ATOM 1384 N LEU A 90 3.833 10.852 -3.746 1.00 0.00 N ATOM 1385 CA LEU A 90 2.784 10.517 -2.801 1.00 0.00 C ATOM 1386 C LEU A 90 2.805 11.521 -1.655 1.00 0.00 C ATOM 1387 O LEU A 90 3.878 11.925 -1.200 1.00 0.00 O ATOM 1388 CB LEU A 90 2.996 9.091 -2.277 1.00 0.00 C ATOM 1389 CG LEU A 90 1.799 8.463 -1.559 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.668 8.194 -2.542 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.215 7.183 -0.850 1.00 0.00 C ATOM 0 H LEU A 90 4.685 10.299 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 90 1.812 10.561 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.269 8.452 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.844 9.097 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 90 1.437 9.166 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.175 7.748 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.353 9.132 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.014 7.510 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.352 6.750 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.603 6.472 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.989 7.408 -0.117 1.00 0.00 H new ATOM 1403 N PRO A 91 1.628 11.948 -1.176 1.00 0.00 N ATOM 1404 CA PRO A 91 1.525 12.871 -0.055 1.00 0.00 C ATOM 1405 C PRO A 91 1.582 12.148 1.287 1.00 0.00 C ATOM 1406 O PRO A 91 1.209 10.977 1.382 1.00 0.00 O ATOM 1407 CB PRO A 91 0.147 13.528 -0.252 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.447 12.902 -1.478 1.00 0.00 C ATOM 1409 CD PRO A 91 0.307 11.627 -1.717 1.00 0.00 C ATOM 0 HA PRO A 91 2.349 13.584 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.490 13.362 0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.245 14.607 -0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.509 12.703 -1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.360 13.570 -2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.149 10.781 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.351 11.371 -2.776 1.00 0.00 H new ATOM 1417 N PRO A 92 2.038 12.841 2.342 1.00 0.00 N ATOM 1418 CA PRO A 92 2.122 12.271 3.689 1.00 0.00 C ATOM 1419 C PRO A 92 0.774 11.763 4.200 1.00 0.00 C ATOM 1420 O PRO A 92 0.724 10.850 5.023 1.00 0.00 O ATOM 1421 CB PRO A 92 2.627 13.426 4.561 1.00 0.00 C ATOM 1422 CG PRO A 92 2.481 14.658 3.736 1.00 0.00 C ATOM 1423 CD PRO A 92 2.543 14.220 2.300 1.00 0.00 C ATOM 0 HA PRO A 92 2.777 11.400 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.048 13.502 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.666 13.271 4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.536 15.157 3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.275 15.370 3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.929 14.853 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.560 14.264 1.910 1.00 0.00 H new ATOM 1431 N GLU A 93 -0.316 12.351 3.712 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.658 11.907 4.082 1.00 0.00 C ATOM 1433 C GLU A 93 -1.903 10.459 3.655 1.00 0.00 C ATOM 1434 O GLU A 93 -2.704 9.753 4.263 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.736 12.807 3.464 1.00 0.00 C ATOM 1436 CG GLU A 93 -2.693 14.251 3.936 1.00 0.00 C ATOM 1437 CD GLU A 93 -1.811 15.129 3.073 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -0.574 15.027 3.176 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -2.354 15.934 2.288 1.00 0.00 O ATOM 0 H GLU A 93 -0.296 13.135 3.060 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.723 11.972 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.630 12.789 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.716 12.391 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.705 14.656 3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.332 14.281 4.964 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.214 10.026 2.607 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.378 8.673 2.092 1.00 0.00 C ATOM 1448 C TYR A 94 -0.325 7.734 2.656 1.00 0.00 C ATOM 1449 O TYR A 94 -0.401 6.522 2.462 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.307 8.663 0.564 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.617 8.986 -0.111 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -3.593 8.011 -0.247 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -2.877 10.253 -0.619 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -4.793 8.287 -0.866 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.079 10.538 -1.240 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.033 9.548 -1.361 1.00 0.00 C ATOM 1457 OH TYR A 94 -6.231 9.818 -1.976 1.00 0.00 O ATOM 0 H TYR A 94 -0.536 10.592 2.097 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.360 8.322 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.555 9.383 0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.971 7.681 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.410 7.019 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.129 11.027 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.543 7.516 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.270 11.528 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.245 10.753 -2.269 1.00 0.00 H new ATOM 1467 N ILE A 95 0.650 8.292 3.357 1.00 0.00 N ATOM 1468 CA ILE A 95 1.729 7.491 3.916 1.00 0.00 C ATOM 1469 C ILE A 95 1.320 6.926 5.274 1.00 0.00 C ATOM 1470 O ILE A 95 1.098 7.678 6.224 1.00 0.00 O ATOM 1471 CB ILE A 95 3.034 8.309 4.061 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.455 8.871 2.700 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.144 7.445 4.652 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.702 9.724 2.752 1.00 0.00 C ATOM 0 H ILE A 95 0.717 9.291 3.552 1.00 0.00 H new ATOM 0 HA ILE A 95 1.921 6.671 3.223 1.00 0.00 H new ATOM 0 HB ILE A 95 2.852 9.141 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.621 8.043 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.636 9.465 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.054 8.037 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.841 7.086 5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.331 6.594 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.937 10.086 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.535 10.573 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.534 9.129 3.128 1.00 0.00 H new ATOM 1486 N PRO A 96 1.205 5.594 5.375 1.00 0.00 N ATOM 1487 CA PRO A 96 0.785 4.924 6.608 1.00 0.00 C ATOM 1488 C PRO A 96 1.807 5.085 7.732 1.00 0.00 C ATOM 1489 O PRO A 96 2.999 5.287 7.478 1.00 0.00 O ATOM 1490 CB PRO A 96 0.664 3.445 6.204 1.00 0.00 C ATOM 1491 CG PRO A 96 0.671 3.437 4.713 1.00 0.00 C ATOM 1492 CD PRO A 96 1.477 4.632 4.299 1.00 0.00 C ATOM 0 HA PRO A 96 -0.142 5.345 6.998 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.493 2.860 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.254 3.005 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.112 2.517 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.343 3.494 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.539 4.398 4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.165 5.013 3.327 1.00 0.00 H new ATOM 1500 N PRO A 97 1.349 5.001 8.991 1.00 0.00 N ATOM 1501 CA PRO A 97 2.220 5.096 10.168 1.00 0.00 C ATOM 1502 C PRO A 97 3.338 4.062 10.136 1.00 0.00 C ATOM 1503 O PRO A 97 3.186 2.998 9.535 1.00 0.00 O ATOM 1504 CB PRO A 97 1.274 4.819 11.338 1.00 0.00 C ATOM 1505 CG PRO A 97 -0.080 5.162 10.823 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.063 4.811 9.366 1.00 0.00 C ATOM 0 HA PRO A 97 2.720 6.063 10.229 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.326 3.776 11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.532 5.425 12.207 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.852 4.603 11.351 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.297 6.220 10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.391 3.786 9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.724 5.457 8.788 1.00 0.00 H new ATOM 1514 N SER A 98 4.468 4.402 10.766 1.00 0.00 N ATOM 1515 CA SER A 98 5.645 3.529 10.829 1.00 0.00 C ATOM 1516 C SER A 98 6.388 3.506 9.490 1.00 0.00 C ATOM 1517 O SER A 98 7.620 3.493 9.453 1.00 0.00 O ATOM 1518 CB SER A 98 5.256 2.108 11.263 1.00 0.00 C ATOM 1519 OG SER A 98 6.399 1.294 11.459 1.00 0.00 O ATOM 0 H SER A 98 4.592 5.293 11.248 1.00 0.00 H new ATOM 0 HA SER A 98 6.321 3.938 11.581 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.678 2.154 12.186 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.613 1.658 10.506 1.00 0.00 H new ATOM 0 HG SER A 98 6.118 0.397 11.736 1.00 0.00 H new ATOM 1525 N PHE A 99 5.640 3.525 8.394 1.00 0.00 N ATOM 1526 CA PHE A 99 6.226 3.526 7.060 1.00 0.00 C ATOM 1527 C PHE A 99 6.586 4.945 6.631 1.00 0.00 C ATOM 1528 O PHE A 99 7.028 5.173 5.507 1.00 0.00 O ATOM 1529 CB PHE A 99 5.259 2.898 6.054 1.00 0.00 C ATOM 1530 CG PHE A 99 4.928 1.463 6.353 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.876 0.466 6.179 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.670 1.112 6.817 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.571 -0.854 6.459 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.363 -0.203 7.099 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.314 -1.187 6.921 1.00 0.00 C ATOM 0 H PHE A 99 4.620 3.540 8.404 1.00 0.00 H new ATOM 0 HA PHE A 99 7.139 2.932 7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.337 3.479 6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.694 2.962 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.862 0.723 5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.921 1.877 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.316 -1.623 6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.378 -0.462 7.459 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.075 -2.217 7.143 1.00 0.00 H new ATOM 1545 N ARG A 100 6.408 5.895 7.544 1.00 0.00 N ATOM 1546 CA ARG A 100 6.745 7.289 7.275 1.00 0.00 C ATOM 1547 C ARG A 100 8.255 7.487 7.263 1.00 0.00 C ATOM 1548 O ARG A 100 8.750 8.527 6.824 1.00 0.00 O ATOM 1549 CB ARG A 100 6.115 8.214 8.318 1.00 0.00 C ATOM 1550 CG ARG A 100 4.594 8.188 8.334 1.00 0.00 C ATOM 1551 CD ARG A 100 4.033 9.254 9.259 1.00 0.00 C ATOM 1552 NE ARG A 100 4.379 10.604 8.811 1.00 0.00 N ATOM 1553 CZ ARG A 100 4.589 11.637 9.629 1.00 0.00 C ATOM 1554 NH1 ARG A 100 4.526 11.482 10.947 1.00 0.00 N ATOM 1555 NH2 ARG A 100 4.881 12.826 9.123 1.00 0.00 N ATOM 0 H ARG A 100 6.032 5.725 8.477 1.00 0.00 H new ATOM 0 HA ARG A 100 6.346 7.542 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.483 7.934 9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.448 9.235 8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.215 8.344 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.248 7.206 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.949 9.156 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.416 9.097 10.268 1.00 0.00 H new ATOM 0 HE ARG A 100 4.465 10.766 7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.315 10.566 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.688 12.279 11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.944 12.949 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.042 13.619 9.744 1.00 0.00 H new ATOM 1569 N ARG A 101 8.986 6.494 7.756 1.00 0.00 N ATOM 1570 CA ARG A 101 10.439 6.552 7.754 1.00 0.00 C ATOM 1571 C ARG A 101 10.990 6.156 6.392 1.00 0.00 C ATOM 1572 O ARG A 101 11.413 5.017 6.182 1.00 0.00 O ATOM 1573 CB ARG A 101 11.033 5.652 8.836 1.00 0.00 C ATOM 1574 CG ARG A 101 10.794 6.152 10.249 1.00 0.00 C ATOM 1575 CD ARG A 101 11.546 5.307 11.261 1.00 0.00 C ATOM 1576 NE ARG A 101 12.974 5.224 10.945 1.00 0.00 N ATOM 1577 CZ ARG A 101 13.932 5.003 11.843 1.00 0.00 C ATOM 1578 NH1 ARG A 101 13.623 4.854 13.126 1.00 0.00 N ATOM 1579 NH2 ARG A 101 15.199 4.932 11.453 1.00 0.00 N ATOM 0 H ARG A 101 8.596 5.643 8.160 1.00 0.00 H new ATOM 0 HA ARG A 101 10.726 7.581 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.608 4.653 8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.106 5.560 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.113 7.191 10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.727 6.128 10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.418 5.732 12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.120 4.304 11.285 1.00 0.00 H new ATOM 0 HE ARG A 101 13.253 5.344 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.650 4.909 13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.359 4.685 13.812 1.00 0.00 H new ATOM 0 HH21 ARG A 101 15.437 5.047 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.935 4.763 12.139 1.00 0.00 H new ATOM 1593 N VAL A 102 10.946 7.093 5.461 1.00 0.00 N ATOM 1594 CA VAL A 102 11.494 6.879 4.134 1.00 0.00 C ATOM 1595 C VAL A 102 12.814 7.625 3.983 1.00 0.00 C ATOM 1596 O VAL A 102 12.849 8.857 3.948 1.00 0.00 O ATOM 1597 CB VAL A 102 10.502 7.303 3.024 1.00 0.00 C ATOM 1598 CG1 VAL A 102 9.385 6.274 2.903 1.00 0.00 C ATOM 1599 CG2 VAL A 102 9.925 8.692 3.300 1.00 0.00 C ATOM 0 H VAL A 102 10.533 8.015 5.602 1.00 0.00 H new ATOM 0 HA VAL A 102 11.673 5.810 4.019 1.00 0.00 H new ATOM 0 HB VAL A 102 11.044 7.350 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.692 6.580 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.811 5.303 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 102 8.852 6.202 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.232 8.963 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.397 8.684 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.734 9.421 3.340 1.00 0.00 H new ATOM 1609 N ARG A 103 13.905 6.872 3.929 1.00 0.00 N ATOM 1610 CA ARG A 103 15.234 7.454 3.835 1.00 0.00 C ATOM 1611 C ARG A 103 16.045 6.747 2.758 1.00 0.00 C ATOM 1612 O ARG A 103 16.525 5.632 2.968 1.00 0.00 O ATOM 1613 CB ARG A 103 15.952 7.355 5.185 1.00 0.00 C ATOM 1614 CG ARG A 103 17.242 8.161 5.266 1.00 0.00 C ATOM 1615 CD ARG A 103 17.953 7.931 6.590 1.00 0.00 C ATOM 1616 NE ARG A 103 19.056 8.868 6.803 1.00 0.00 N ATOM 1617 CZ ARG A 103 20.270 8.505 7.213 1.00 0.00 C ATOM 1618 NH1 ARG A 103 20.561 7.220 7.389 1.00 0.00 N ATOM 1619 NH2 ARG A 103 21.198 9.426 7.438 1.00 0.00 N ATOM 0 H ARG A 103 13.893 5.852 3.949 1.00 0.00 H new ATOM 0 HA ARG A 103 15.135 8.506 3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 103 15.275 7.694 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 103 16.177 6.308 5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.900 7.882 4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.019 9.222 5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 103 17.236 8.027 7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 103 18.336 6.911 6.621 1.00 0.00 H new ATOM 0 HE ARG A 103 18.885 9.858 6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 103 19.853 6.508 7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 103 21.492 6.946 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 103 20.982 10.413 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 103 22.128 9.147 7.752 1.00 0.00 H new ATOM 1633 N LEU A 104 16.162 7.403 1.600 1.00 0.00 N ATOM 1634 CA LEU A 104 16.940 6.899 0.467 1.00 0.00 C ATOM 1635 C LEU A 104 16.254 5.705 -0.200 1.00 0.00 C ATOM 1636 O LEU A 104 15.701 4.827 0.465 1.00 0.00 O ATOM 1637 CB LEU A 104 18.361 6.517 0.905 1.00 0.00 C ATOM 1638 CG LEU A 104 19.285 6.047 -0.217 1.00 0.00 C ATOM 1639 CD1 LEU A 104 19.530 7.169 -1.211 1.00 0.00 C ATOM 1640 CD2 LEU A 104 20.601 5.542 0.351 1.00 0.00 C ATOM 0 H LEU A 104 15.717 8.303 1.422 1.00 0.00 H new ATOM 0 HA LEU A 104 17.004 7.704 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 104 18.817 7.379 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 104 18.293 5.727 1.653 1.00 0.00 H new ATOM 0 HG LEU A 104 18.798 5.224 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 104 20.190 6.816 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 104 18.581 7.485 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 104 19.995 8.012 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 104 21.246 5.212 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 104 21.092 6.345 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 104 20.410 4.706 1.024 1.00 0.00 H new ATOM 1652 N GLU A 105 16.281 5.690 -1.524 1.00 0.00 N ATOM 1653 CA GLU A 105 15.747 4.573 -2.283 1.00 0.00 C ATOM 1654 C GLU A 105 16.586 3.331 -2.057 1.00 0.00 C ATOM 1655 O GLU A 105 17.792 3.331 -2.310 1.00 0.00 O ATOM 1656 CB GLU A 105 15.725 4.885 -3.777 1.00 0.00 C ATOM 1657 CG GLU A 105 14.694 5.917 -4.187 1.00 0.00 C ATOM 1658 CD GLU A 105 14.658 6.103 -5.688 1.00 0.00 C ATOM 1659 OE1 GLU A 105 14.156 5.202 -6.389 1.00 0.00 O ATOM 1660 OE2 GLU A 105 15.153 7.136 -6.181 1.00 0.00 O ATOM 0 H GLU A 105 16.668 6.441 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 105 14.728 4.400 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.712 5.237 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.535 3.962 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.710 5.609 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.921 6.869 -3.707 1.00 0.00 H new ATOM 1667 N HIS A 106 15.952 2.274 -1.587 1.00 0.00 N ATOM 1668 CA HIS A 106 16.634 1.005 -1.434 1.00 0.00 C ATOM 1669 C HIS A 106 16.629 0.285 -2.773 1.00 0.00 C ATOM 1670 O HIS A 106 15.913 -0.696 -2.971 1.00 0.00 O ATOM 1671 CB HIS A 106 15.986 0.149 -0.341 1.00 0.00 C ATOM 1672 CG HIS A 106 16.071 0.755 1.032 1.00 0.00 C ATOM 1673 ND1 HIS A 106 15.461 0.203 2.140 1.00 0.00 N ATOM 1674 CD2 HIS A 106 16.692 1.878 1.471 1.00 0.00 C ATOM 1675 CE1 HIS A 106 15.700 0.959 3.195 1.00 0.00 C ATOM 1676 NE2 HIS A 106 16.445 1.980 2.815 1.00 0.00 N ATOM 0 H HIS A 106 14.971 2.269 -1.306 1.00 0.00 H new ATOM 0 HA HIS A 106 17.663 1.184 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 106 14.938 -0.013 -0.593 1.00 0.00 H new ATOM 0 HB3 HIS A 106 16.465 -0.830 -0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.273 2.564 0.873 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.346 0.774 4.198 1.00 0.00 H new ATOM 0 HE2 HIS A 106 16.783 2.725 3.424 1.00 0.00 H new ATOM 1685 N HIS A 107 17.400 0.834 -3.702 1.00 0.00 N ATOM 1686 CA HIS A 107 17.478 0.316 -5.059 1.00 0.00 C ATOM 1687 C HIS A 107 18.049 -1.093 -5.080 1.00 0.00 C ATOM 1688 O HIS A 107 18.965 -1.419 -4.322 1.00 0.00 O ATOM 1689 CB HIS A 107 18.317 1.249 -5.947 1.00 0.00 C ATOM 1690 CG HIS A 107 19.730 1.466 -5.480 1.00 0.00 C ATOM 1691 ND1 HIS A 107 20.823 0.855 -6.060 1.00 0.00 N ATOM 1692 CD2 HIS A 107 20.225 2.254 -4.494 1.00 0.00 C ATOM 1693 CE1 HIS A 107 21.924 1.255 -5.450 1.00 0.00 C ATOM 1694 NE2 HIS A 107 21.588 2.104 -4.500 1.00 0.00 N ATOM 0 H HIS A 107 17.988 1.650 -3.535 1.00 0.00 H new ATOM 0 HA HIS A 107 16.464 0.274 -5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.342 0.840 -6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.817 2.216 -6.007 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.653 2.883 -3.828 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.929 0.940 -5.689 1.00 0.00 H new ATOM 0 HE2 HIS A 107 22.238 2.574 -3.870 1.00 0.00 H new ATOM 1703 N HIS A 108 17.506 -1.922 -5.954 1.00 0.00 N ATOM 1704 CA HIS A 108 17.908 -3.314 -6.030 1.00 0.00 C ATOM 1705 C HIS A 108 18.128 -3.761 -7.469 1.00 0.00 C ATOM 1706 O HIS A 108 17.214 -3.750 -8.292 1.00 0.00 O ATOM 1707 CB HIS A 108 16.881 -4.221 -5.329 1.00 0.00 C ATOM 1708 CG HIS A 108 15.439 -3.913 -5.637 1.00 0.00 C ATOM 1709 ND1 HIS A 108 14.588 -3.326 -4.725 1.00 0.00 N ATOM 1710 CD2 HIS A 108 14.697 -4.134 -6.748 1.00 0.00 C ATOM 1711 CE1 HIS A 108 13.389 -3.197 -5.262 1.00 0.00 C ATOM 1712 NE2 HIS A 108 13.428 -3.678 -6.491 1.00 0.00 N ATOM 0 H HIS A 108 16.784 -1.654 -6.622 1.00 0.00 H new ATOM 0 HA HIS A 108 18.861 -3.405 -5.509 1.00 0.00 H new ATOM 0 HB2 HIS A 108 17.083 -5.255 -5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.030 -4.147 -4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 108 15.040 -4.586 -7.667 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.523 -2.770 -4.778 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.644 -3.706 -7.143 1.00 0.00 H new ATOM 1721 N HIS A 109 19.362 -4.121 -7.765 1.00 0.00 N ATOM 1722 CA HIS A 109 19.696 -4.762 -9.026 1.00 0.00 C ATOM 1723 C HIS A 109 20.150 -6.184 -8.756 1.00 0.00 C ATOM 1724 O HIS A 109 20.552 -6.506 -7.637 1.00 0.00 O ATOM 1725 CB HIS A 109 20.787 -3.996 -9.776 1.00 0.00 C ATOM 1726 CG HIS A 109 20.262 -2.931 -10.686 1.00 0.00 C ATOM 1727 ND1 HIS A 109 20.216 -1.597 -10.346 1.00 0.00 N ATOM 1728 CD2 HIS A 109 19.767 -3.013 -11.944 1.00 0.00 C ATOM 1729 CE1 HIS A 109 19.715 -0.907 -11.354 1.00 0.00 C ATOM 1730 NE2 HIS A 109 19.435 -1.742 -12.336 1.00 0.00 N ATOM 0 H HIS A 109 20.158 -3.979 -7.144 1.00 0.00 H new ATOM 0 HA HIS A 109 18.807 -4.767 -9.657 1.00 0.00 H new ATOM 0 HB2 HIS A 109 21.462 -3.541 -9.051 1.00 0.00 H new ATOM 0 HB3 HIS A 109 21.377 -4.702 -10.361 1.00 0.00 H new ATOM 0 HD2 HIS A 109 19.655 -3.913 -12.530 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.560 0.162 -11.372 1.00 0.00 H new ATOM 0 HE2 HIS A 109 19.037 -1.484 -13.239 1.00 0.00 H new ATOM 1739 N HIS A 110 20.084 -7.038 -9.762 1.00 0.00 N ATOM 1740 CA HIS A 110 20.453 -8.432 -9.582 1.00 0.00 C ATOM 1741 C HIS A 110 21.800 -8.712 -10.223 1.00 0.00 C ATOM 1742 O HIS A 110 22.095 -8.205 -11.308 1.00 0.00 O ATOM 1743 CB HIS A 110 19.388 -9.358 -10.168 1.00 0.00 C ATOM 1744 CG HIS A 110 18.047 -9.205 -9.521 1.00 0.00 C ATOM 1745 ND1 HIS A 110 16.872 -9.161 -10.231 1.00 0.00 N ATOM 1746 CD2 HIS A 110 17.701 -9.092 -8.216 1.00 0.00 C ATOM 1747 CE1 HIS A 110 15.860 -9.026 -9.396 1.00 0.00 C ATOM 1748 NE2 HIS A 110 16.335 -8.982 -8.166 1.00 0.00 N ATOM 0 H HIS A 110 19.781 -6.794 -10.705 1.00 0.00 H new ATOM 0 HA HIS A 110 20.526 -8.626 -8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.293 -9.160 -11.236 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.718 -10.392 -10.063 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.375 -9.089 -7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 110 14.818 -8.962 -9.673 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.778 -8.883 -7.317 1.00 0.00 H new ATOM 1757 N HIS A 111 22.609 -9.503 -9.530 1.00 0.00 N ATOM 1758 CA HIS A 111 23.922 -9.916 -10.012 1.00 0.00 C ATOM 1759 C HIS A 111 24.876 -8.724 -10.047 1.00 0.00 C ATOM 1760 O HIS A 111 25.360 -8.324 -8.966 1.00 0.00 O ATOM 1761 CB HIS A 111 23.798 -10.571 -11.393 1.00 0.00 C ATOM 1762 CG HIS A 111 25.021 -11.307 -11.841 1.00 0.00 C ATOM 1763 ND1 HIS A 111 25.370 -12.545 -11.353 1.00 0.00 N ATOM 1764 CD2 HIS A 111 25.963 -10.986 -12.752 1.00 0.00 C ATOM 1765 CE1 HIS A 111 26.473 -12.953 -11.947 1.00 0.00 C ATOM 1766 NE2 HIS A 111 26.856 -12.026 -12.806 1.00 0.00 N ATOM 1767 OXT HIS A 111 25.144 -8.190 -11.145 1.00 0.00 O ATOM 0 H HIS A 111 22.372 -9.879 -8.612 1.00 0.00 H new ATOM 0 HA HIS A 111 24.335 -10.654 -9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 111 22.957 -11.264 -11.379 1.00 0.00 H new ATOM 0 HB3 HIS A 111 23.563 -9.800 -12.127 1.00 0.00 H new ATOM 0 HD2 HIS A 111 26.006 -10.076 -13.333 1.00 0.00 H new ATOM 0 HE1 HIS A 111 26.979 -13.889 -11.762 1.00 0.00 H new ATOM 0 HE2 HIS A 111 27.678 -12.075 -13.408 1.00 0.00 H new TER 1776 HIS A 111