USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 43 THR OG1 : rot 180:sc= 0.0716 USER MOD Set 1.2: A 46 ASN : amide:sc=0.000715 K(o=0.072,f=-2.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 162:sc= -0.106 (180deg=-0.58) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.28) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 103:sc= 1.32 USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -79:sc= 0.961 USER MOD Single : A 72 SER OG : rot 80:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.022 (180deg=-0.165) USER MOD Single : A 75 THR OG1 : rot -77:sc= 1.31 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.485 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 0.887 (180deg=0.606) USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= 0.522 (180deg=-0.12) USER MOD Single : A 100 GLN : amide:sc= 1.26 K(o=1.3,f=-0.079) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 1.32 (180deg=0.987) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.991 X(o=-0.99,f=-0.65) USER MOD Single : A 113 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 19 -3.889 -8.221 4.717 1.00 0.00 N ATOM 16 CA TRP A 19 -4.410 -7.292 3.722 1.00 0.00 C ATOM 17 C TRP A 19 -5.349 -7.974 2.731 1.00 0.00 C ATOM 18 O TRP A 19 -4.932 -8.522 1.715 1.00 0.00 O ATOM 19 CB TRP A 19 -3.255 -6.598 3.006 1.00 0.00 C ATOM 20 CG TRP A 19 -2.351 -5.886 3.961 1.00 0.00 C ATOM 21 CD1 TRP A 19 -1.243 -6.398 4.572 1.00 0.00 C ATOM 22 CD2 TRP A 19 -2.489 -4.541 4.437 1.00 0.00 C ATOM 23 NE1 TRP A 19 -0.682 -5.457 5.398 1.00 0.00 N ATOM 24 CE2 TRP A 19 -1.424 -4.306 5.329 1.00 0.00 C ATOM 25 CE3 TRP A 19 -3.401 -3.508 4.193 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -1.253 -3.087 5.980 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -3.229 -2.299 4.839 1.00 0.00 C ATOM 28 CH2 TRP A 19 -2.162 -2.097 5.722 1.00 0.00 C ATOM 0 HA TRP A 19 -5.005 -6.541 4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -2.681 -7.335 2.445 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.652 -5.885 2.283 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -0.863 -7.398 4.426 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.151 -5.592 5.970 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -4.226 -3.654 3.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.432 -2.928 6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.929 -1.497 4.660 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.054 -1.140 6.210 1.00 0.00 H new ATOM 39 N ASP A 20 -6.623 -7.929 3.074 1.00 0.00 N ATOM 40 CA ASP A 20 -7.691 -8.527 2.291 1.00 0.00 C ATOM 41 C ASP A 20 -8.482 -7.429 1.590 1.00 0.00 C ATOM 42 O ASP A 20 -8.334 -6.257 1.936 1.00 0.00 O ATOM 43 CB ASP A 20 -8.599 -9.326 3.242 1.00 0.00 C ATOM 44 CG ASP A 20 -9.831 -9.908 2.581 1.00 0.00 C ATOM 45 OD1 ASP A 20 -9.762 -11.055 2.092 1.00 0.00 O ATOM 46 OD2 ASP A 20 -10.883 -9.232 2.566 1.00 0.00 O ATOM 0 H ASP A 20 -6.952 -7.467 3.922 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.283 -9.194 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.020 -10.137 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.912 -8.676 4.059 1.00 0.00 H new ATOM 51 N ASP A 21 -9.301 -7.807 0.610 1.00 0.00 N ATOM 52 CA ASP A 21 -10.222 -6.879 -0.058 1.00 0.00 C ATOM 53 C ASP A 21 -10.853 -5.910 0.934 1.00 0.00 C ATOM 54 O ASP A 21 -10.884 -4.699 0.713 1.00 0.00 O ATOM 55 CB ASP A 21 -11.333 -7.669 -0.749 1.00 0.00 C ATOM 56 CG ASP A 21 -12.412 -6.782 -1.344 1.00 0.00 C ATOM 57 OD1 ASP A 21 -12.120 -6.035 -2.298 1.00 0.00 O ATOM 58 OD2 ASP A 21 -13.566 -6.837 -0.867 1.00 0.00 O ATOM 0 H ASP A 21 -9.348 -8.762 0.255 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.649 -6.307 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.898 -8.282 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.787 -8.351 -0.030 1.00 0.00 H new ATOM 63 N ALA A 22 -11.343 -6.465 2.030 1.00 0.00 N ATOM 64 CA ALA A 22 -11.996 -5.686 3.062 1.00 0.00 C ATOM 65 C ALA A 22 -10.982 -5.108 4.048 1.00 0.00 C ATOM 66 O ALA A 22 -11.097 -3.955 4.466 1.00 0.00 O ATOM 67 CB ALA A 22 -13.014 -6.550 3.781 1.00 0.00 C ATOM 0 H ALA A 22 -11.298 -7.465 2.227 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.507 -4.845 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.505 -5.964 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.759 -6.904 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.511 -7.404 4.235 1.00 0.00 H new ATOM 73 N ASP A 23 -9.986 -5.915 4.403 1.00 0.00 N ATOM 74 CA ASP A 23 -9.007 -5.548 5.430 1.00 0.00 C ATOM 75 C ASP A 23 -8.173 -4.338 5.010 1.00 0.00 C ATOM 76 O ASP A 23 -7.935 -3.430 5.806 1.00 0.00 O ATOM 77 CB ASP A 23 -8.088 -6.731 5.732 1.00 0.00 C ATOM 78 CG ASP A 23 -7.285 -6.544 7.004 1.00 0.00 C ATOM 79 OD1 ASP A 23 -6.331 -5.742 7.007 1.00 0.00 O ATOM 80 OD2 ASP A 23 -7.609 -7.206 8.014 1.00 0.00 O ATOM 0 H ASP A 23 -9.832 -6.836 3.992 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.561 -5.279 6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.687 -7.638 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.405 -6.877 4.895 1.00 0.00 H new ATOM 85 N VAL A 24 -7.741 -4.316 3.755 1.00 0.00 N ATOM 86 CA VAL A 24 -6.975 -3.187 3.238 1.00 0.00 C ATOM 87 C VAL A 24 -7.789 -1.905 3.356 1.00 0.00 C ATOM 88 O VAL A 24 -7.294 -0.875 3.812 1.00 0.00 O ATOM 89 CB VAL A 24 -6.571 -3.391 1.759 1.00 0.00 C ATOM 90 CG1 VAL A 24 -5.809 -2.183 1.234 1.00 0.00 C ATOM 91 CG2 VAL A 24 -5.738 -4.649 1.596 1.00 0.00 C ATOM 0 H VAL A 24 -7.906 -5.062 3.079 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.066 -3.114 3.835 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.485 -3.503 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.536 -2.350 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.439 -1.296 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.906 -2.036 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.466 -4.772 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.834 -4.567 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.316 -5.513 1.924 1.00 0.00 H new ATOM 101 N LYS A 25 -9.057 -1.994 2.981 1.00 0.00 N ATOM 102 CA LYS A 25 -9.931 -0.834 2.965 1.00 0.00 C ATOM 103 C LYS A 25 -10.305 -0.386 4.374 1.00 0.00 C ATOM 104 O LYS A 25 -10.485 0.807 4.606 1.00 0.00 O ATOM 105 CB LYS A 25 -11.179 -1.118 2.130 1.00 0.00 C ATOM 106 CG LYS A 25 -10.878 -1.246 0.645 1.00 0.00 C ATOM 107 CD LYS A 25 -12.116 -1.591 -0.166 1.00 0.00 C ATOM 108 CE LYS A 25 -13.199 -0.530 -0.033 1.00 0.00 C ATOM 109 NZ LYS A 25 -14.299 -0.742 -1.010 1.00 0.00 N ATOM 0 H LYS A 25 -9.503 -2.862 2.683 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.384 -0.012 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.645 -2.038 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.902 -0.317 2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.456 -0.310 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.122 -2.016 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.843 -1.701 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.509 -2.553 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.603 -0.547 0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.762 0.457 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.018 -0.000 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.918 -0.701 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.732 -1.674 -0.848 1.00 0.00 H new ATOM 123 N LYS A 26 -10.406 -1.321 5.317 1.00 0.00 N ATOM 124 CA LYS A 26 -10.683 -0.952 6.705 1.00 0.00 C ATOM 125 C LYS A 26 -9.479 -0.214 7.291 1.00 0.00 C ATOM 126 O LYS A 26 -9.638 0.762 8.027 1.00 0.00 O ATOM 127 CB LYS A 26 -11.065 -2.166 7.577 1.00 0.00 C ATOM 128 CG LYS A 26 -9.913 -3.103 7.903 1.00 0.00 C ATOM 129 CD LYS A 26 -10.294 -4.152 8.938 1.00 0.00 C ATOM 130 CE LYS A 26 -11.347 -5.118 8.419 1.00 0.00 C ATOM 131 NZ LYS A 26 -11.607 -6.215 9.388 1.00 0.00 N ATOM 0 H LYS A 26 -10.303 -2.322 5.151 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.550 -0.291 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.496 -1.804 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.843 -2.733 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.583 -3.600 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.069 -2.521 8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.405 -4.710 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.669 -3.656 9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.273 -4.577 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.018 -5.540 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.330 -6.855 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.728 -6.746 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.945 -5.813 10.286 1.00 0.00 H new ATOM 145 N ARG A 27 -8.276 -0.688 6.966 1.00 0.00 N ATOM 146 CA ARG A 27 -7.055 -0.030 7.410 1.00 0.00 C ATOM 147 C ARG A 27 -6.906 1.342 6.757 1.00 0.00 C ATOM 148 O ARG A 27 -6.581 2.316 7.431 1.00 0.00 O ATOM 149 CB ARG A 27 -5.820 -0.894 7.125 1.00 0.00 C ATOM 150 CG ARG A 27 -5.334 -1.686 8.332 1.00 0.00 C ATOM 151 CD ARG A 27 -6.312 -2.776 8.740 1.00 0.00 C ATOM 152 NE ARG A 27 -6.109 -3.196 10.130 1.00 0.00 N ATOM 153 CZ ARG A 27 -6.131 -4.463 10.547 1.00 0.00 C ATOM 154 NH1 ARG A 27 -6.250 -5.457 9.679 1.00 0.00 N ATOM 155 NH2 ARG A 27 -5.999 -4.743 11.838 1.00 0.00 N ATOM 0 H ARG A 27 -8.125 -1.522 6.399 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.131 0.107 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.051 -1.587 6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.012 -0.252 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.368 -2.135 8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.180 -1.007 9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.333 -2.414 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.195 -3.635 8.080 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.939 -2.470 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.326 -5.257 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.266 -6.422 10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.880 -3.988 12.514 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.016 -5.713 12.154 1.00 0.00 H new ATOM 169 N TRP A 28 -7.152 1.414 5.447 1.00 0.00 N ATOM 170 CA TRP A 28 -7.146 2.694 4.733 1.00 0.00 C ATOM 171 C TRP A 28 -8.164 3.651 5.343 1.00 0.00 C ATOM 172 O TRP A 28 -7.896 4.842 5.518 1.00 0.00 O ATOM 173 CB TRP A 28 -7.477 2.490 3.251 1.00 0.00 C ATOM 174 CG TRP A 28 -6.351 1.950 2.423 1.00 0.00 C ATOM 175 CD1 TRP A 28 -5.165 1.429 2.860 1.00 0.00 C ATOM 176 CD2 TRP A 28 -6.315 1.880 0.992 1.00 0.00 C ATOM 177 NE1 TRP A 28 -4.394 1.051 1.787 1.00 0.00 N ATOM 178 CE2 TRP A 28 -5.080 1.314 0.631 1.00 0.00 C ATOM 179 CE3 TRP A 28 -7.210 2.244 -0.017 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -4.717 1.104 -0.696 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -6.847 2.034 -1.335 1.00 0.00 C ATOM 182 CH2 TRP A 28 -5.610 1.468 -1.663 1.00 0.00 C ATOM 0 H TRP A 28 -7.357 0.605 4.861 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.147 3.120 4.823 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.325 1.810 3.173 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.794 3.444 2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.876 1.329 3.896 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.462 0.641 1.842 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -8.167 2.681 0.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.762 0.668 -0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.530 2.312 -2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.356 1.316 -2.702 1.00 0.00 H new ATOM 193 N ASP A 29 -9.331 3.108 5.657 1.00 0.00 N ATOM 194 CA ASP A 29 -10.417 3.868 6.264 1.00 0.00 C ATOM 195 C ASP A 29 -9.972 4.487 7.583 1.00 0.00 C ATOM 196 O ASP A 29 -10.256 5.653 7.858 1.00 0.00 O ATOM 197 CB ASP A 29 -11.623 2.957 6.491 1.00 0.00 C ATOM 198 CG ASP A 29 -12.799 3.680 7.111 1.00 0.00 C ATOM 199 OD1 ASP A 29 -13.600 4.270 6.360 1.00 0.00 O ATOM 200 OD2 ASP A 29 -12.942 3.638 8.348 1.00 0.00 O ATOM 0 H ASP A 29 -9.553 2.125 5.498 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.698 4.674 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.930 2.525 5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.330 2.129 7.137 1.00 0.00 H new ATOM 205 N ALA A 30 -9.269 3.694 8.388 1.00 0.00 N ATOM 206 CA ALA A 30 -8.772 4.140 9.687 1.00 0.00 C ATOM 207 C ALA A 30 -8.008 5.458 9.576 1.00 0.00 C ATOM 208 O ALA A 30 -8.182 6.349 10.404 1.00 0.00 O ATOM 209 CB ALA A 30 -7.892 3.068 10.315 1.00 0.00 C ATOM 0 H ALA A 30 -9.029 2.729 8.160 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.635 4.312 10.330 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.529 3.416 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.472 2.155 10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.044 2.865 9.661 1.00 0.00 H new ATOM 215 N PHE A 31 -7.157 5.572 8.560 1.00 0.00 N ATOM 216 CA PHE A 31 -6.400 6.801 8.326 1.00 0.00 C ATOM 217 C PHE A 31 -7.325 7.992 8.092 1.00 0.00 C ATOM 218 O PHE A 31 -7.318 8.951 8.858 1.00 0.00 O ATOM 219 CB PHE A 31 -5.467 6.647 7.122 1.00 0.00 C ATOM 220 CG PHE A 31 -4.328 5.697 7.342 1.00 0.00 C ATOM 221 CD1 PHE A 31 -3.193 6.106 8.025 1.00 0.00 C ATOM 222 CD2 PHE A 31 -4.386 4.401 6.860 1.00 0.00 C ATOM 223 CE1 PHE A 31 -2.138 5.238 8.223 1.00 0.00 C ATOM 224 CE2 PHE A 31 -3.334 3.527 7.057 1.00 0.00 C ATOM 225 CZ PHE A 31 -2.207 3.947 7.739 1.00 0.00 C ATOM 0 H PHE A 31 -6.973 4.829 7.885 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.808 6.986 9.223 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.050 6.305 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.064 7.626 6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.134 7.115 8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.263 4.069 6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.259 5.569 8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.392 2.517 6.679 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.382 3.267 7.893 1.00 0.00 H new ATOM 371 N MET A 42 5.783 8.032 8.763 1.00 0.00 N ATOM 372 CA MET A 42 5.905 7.267 7.534 1.00 0.00 C ATOM 373 C MET A 42 7.010 7.853 6.672 1.00 0.00 C ATOM 374 O MET A 42 6.772 8.728 5.838 1.00 0.00 O ATOM 375 CB MET A 42 4.583 7.245 6.765 1.00 0.00 C ATOM 376 CG MET A 42 4.605 6.342 5.543 1.00 0.00 C ATOM 377 SD MET A 42 4.943 4.619 5.958 1.00 0.00 S ATOM 378 CE MET A 42 3.519 4.232 6.975 1.00 0.00 C ATOM 0 HA MET A 42 6.158 6.238 7.791 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.788 6.917 7.435 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.337 8.260 6.452 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.645 6.407 5.031 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.363 6.699 4.846 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.406 3.150 7.046 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.660 4.648 7.972 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.624 4.662 6.526 1.00 0.00 H new ATOM 388 N THR A 43 8.223 7.385 6.903 1.00 0.00 N ATOM 389 CA THR A 43 9.384 7.889 6.202 1.00 0.00 C ATOM 390 C THR A 43 9.599 7.141 4.887 1.00 0.00 C ATOM 391 O THR A 43 9.103 6.027 4.707 1.00 0.00 O ATOM 392 CB THR A 43 10.632 7.790 7.097 1.00 0.00 C ATOM 393 OG1 THR A 43 10.559 6.609 7.908 1.00 0.00 O ATOM 394 CG2 THR A 43 10.754 9.009 7.998 1.00 0.00 C ATOM 0 H THR A 43 8.428 6.649 7.579 1.00 0.00 H new ATOM 0 HA THR A 43 9.210 8.938 5.963 1.00 0.00 H new ATOM 0 HB THR A 43 11.508 7.742 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.357 6.551 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.644 8.914 8.620 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.833 9.907 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.872 9.081 8.635 1.00 0.00 H new ATOM 402 N GLY A 44 10.350 7.765 3.981 1.00 0.00 N ATOM 403 CA GLY A 44 10.496 7.261 2.624 1.00 0.00 C ATOM 404 C GLY A 44 10.999 5.829 2.538 1.00 0.00 C ATOM 405 O GLY A 44 10.428 5.017 1.813 1.00 0.00 O ATOM 0 H GLY A 44 10.867 8.624 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.532 7.326 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.184 7.908 2.081 1.00 0.00 H new ATOM 409 N LYS A 45 12.051 5.510 3.280 1.00 0.00 N ATOM 410 CA LYS A 45 12.669 4.190 3.187 1.00 0.00 C ATOM 411 C LYS A 45 11.797 3.127 3.844 1.00 0.00 C ATOM 412 O LYS A 45 11.728 1.993 3.373 1.00 0.00 O ATOM 413 CB LYS A 45 14.068 4.201 3.809 1.00 0.00 C ATOM 414 CG LYS A 45 14.750 2.840 3.811 1.00 0.00 C ATOM 415 CD LYS A 45 16.209 2.947 4.228 1.00 0.00 C ATOM 416 CE LYS A 45 16.362 3.614 5.585 1.00 0.00 C ATOM 417 NZ LYS A 45 17.789 3.809 5.944 1.00 0.00 N ATOM 0 H LYS A 45 12.493 6.140 3.949 1.00 0.00 H new ATOM 0 HA LYS A 45 12.765 3.940 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.692 4.909 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.997 4.563 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.225 2.170 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.686 2.399 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.651 1.951 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.760 3.516 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.854 4.578 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.875 3.005 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.853 4.266 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.268 2.886 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.247 4.411 5.231 1.00 0.00 H new ATOM 431 N ASN A 46 11.125 3.496 4.925 1.00 0.00 N ATOM 432 CA ASN A 46 10.221 2.574 5.606 1.00 0.00 C ATOM 433 C ASN A 46 8.989 2.302 4.754 1.00 0.00 C ATOM 434 O ASN A 46 8.470 1.186 4.736 1.00 0.00 O ATOM 435 CB ASN A 46 9.815 3.116 6.977 1.00 0.00 C ATOM 436 CG ASN A 46 10.951 3.051 7.981 1.00 0.00 C ATOM 437 OD1 ASN A 46 11.815 2.178 7.904 1.00 0.00 O ATOM 438 ND2 ASN A 46 10.964 3.980 8.924 1.00 0.00 N ATOM 0 H ASN A 46 11.186 4.422 5.349 1.00 0.00 H new ATOM 0 HA ASN A 46 10.751 1.634 5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.483 4.149 6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.966 2.545 7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.709 3.989 9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.229 4.687 8.954 1.00 0.00 H new ATOM 445 N PHE A 47 8.532 3.318 4.036 1.00 0.00 N ATOM 446 CA PHE A 47 7.431 3.147 3.097 1.00 0.00 C ATOM 447 C PHE A 47 7.906 2.312 1.911 1.00 0.00 C ATOM 448 O PHE A 47 7.174 1.480 1.381 1.00 0.00 O ATOM 449 CB PHE A 47 6.916 4.511 2.631 1.00 0.00 C ATOM 450 CG PHE A 47 5.597 4.455 1.911 1.00 0.00 C ATOM 451 CD1 PHE A 47 4.459 4.004 2.559 1.00 0.00 C ATOM 452 CD2 PHE A 47 5.491 4.862 0.591 1.00 0.00 C ATOM 453 CE1 PHE A 47 3.243 3.957 1.906 1.00 0.00 C ATOM 454 CE2 PHE A 47 4.276 4.818 -0.069 1.00 0.00 C ATOM 455 CZ PHE A 47 3.150 4.365 0.590 1.00 0.00 C ATOM 0 H PHE A 47 8.904 4.266 4.085 1.00 0.00 H new ATOM 0 HA PHE A 47 6.609 2.628 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.818 5.166 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.658 4.962 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.523 3.685 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.368 5.218 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.365 3.601 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.208 5.138 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.200 4.330 0.078 1.00 0.00 H new ATOM 465 N ASP A 48 9.160 2.531 1.523 1.00 0.00 N ATOM 466 CA ASP A 48 9.814 1.741 0.481 1.00 0.00 C ATOM 467 C ASP A 48 9.856 0.264 0.879 1.00 0.00 C ATOM 468 O ASP A 48 9.823 -0.618 0.030 1.00 0.00 O ATOM 469 CB ASP A 48 11.236 2.279 0.250 1.00 0.00 C ATOM 470 CG ASP A 48 12.027 1.544 -0.818 1.00 0.00 C ATOM 471 OD1 ASP A 48 12.537 0.435 -0.545 1.00 0.00 O ATOM 472 OD2 ASP A 48 12.194 2.105 -1.920 1.00 0.00 O ATOM 0 H ASP A 48 9.752 3.260 1.921 1.00 0.00 H new ATOM 0 HA ASP A 48 9.246 1.825 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.171 3.332 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.786 2.228 1.190 1.00 0.00 H new ATOM 477 N LYS A 49 9.881 0.005 2.184 1.00 0.00 N ATOM 478 CA LYS A 49 9.923 -1.363 2.695 1.00 0.00 C ATOM 479 C LYS A 49 8.579 -2.025 2.484 1.00 0.00 C ATOM 480 O LYS A 49 8.495 -3.164 2.023 1.00 0.00 O ATOM 481 CB LYS A 49 10.271 -1.395 4.186 1.00 0.00 C ATOM 482 CG LYS A 49 11.636 -0.823 4.512 1.00 0.00 C ATOM 483 CD LYS A 49 11.945 -0.914 5.995 1.00 0.00 C ATOM 484 CE LYS A 49 13.280 -0.267 6.313 1.00 0.00 C ATOM 485 NZ LYS A 49 13.695 -0.503 7.719 1.00 0.00 N ATOM 0 H LYS A 49 9.873 0.724 2.907 1.00 0.00 H new ATOM 0 HA LYS A 49 10.699 -1.901 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.514 -0.838 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.227 -2.426 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.399 -1.359 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.679 0.219 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.155 -0.425 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.961 -1.959 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.042 -0.660 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.215 0.806 6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.612 -0.044 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.982 -0.106 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.783 -1.525 7.888 1.00 0.00 H new ATOM 499 N TRP A 50 7.529 -1.298 2.836 1.00 0.00 N ATOM 500 CA TRP A 50 6.169 -1.763 2.638 1.00 0.00 C ATOM 501 C TRP A 50 5.910 -2.019 1.158 1.00 0.00 C ATOM 502 O TRP A 50 5.231 -2.973 0.787 1.00 0.00 O ATOM 503 CB TRP A 50 5.177 -0.730 3.190 1.00 0.00 C ATOM 504 CG TRP A 50 3.753 -0.979 2.791 1.00 0.00 C ATOM 505 CD1 TRP A 50 2.912 -0.096 2.177 1.00 0.00 C ATOM 506 CD2 TRP A 50 3.005 -2.186 2.969 1.00 0.00 C ATOM 507 NE1 TRP A 50 1.688 -0.680 1.964 1.00 0.00 N ATOM 508 CE2 TRP A 50 1.721 -1.964 2.439 1.00 0.00 C ATOM 509 CE3 TRP A 50 3.298 -3.436 3.523 1.00 0.00 C ATOM 510 CZ2 TRP A 50 0.733 -2.943 2.449 1.00 0.00 C ATOM 511 CZ3 TRP A 50 2.317 -4.406 3.529 1.00 0.00 C ATOM 512 CH2 TRP A 50 1.050 -4.155 2.995 1.00 0.00 C ATOM 0 H TRP A 50 7.597 -0.375 3.264 1.00 0.00 H new ATOM 0 HA TRP A 50 6.031 -2.700 3.177 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.243 -0.723 4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.472 0.262 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.172 0.915 1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.885 -0.231 1.524 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.274 -3.638 3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.248 -2.752 2.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.532 -5.376 3.953 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.305 -4.936 3.014 1.00 0.00 H new ATOM 523 N LEU A 51 6.485 -1.184 0.312 1.00 0.00 N ATOM 524 CA LEU A 51 6.257 -1.295 -1.123 1.00 0.00 C ATOM 525 C LEU A 51 7.114 -2.396 -1.749 1.00 0.00 C ATOM 526 O LEU A 51 6.597 -3.304 -2.407 1.00 0.00 O ATOM 527 CB LEU A 51 6.529 0.048 -1.813 1.00 0.00 C ATOM 528 CG LEU A 51 5.315 0.973 -1.971 1.00 0.00 C ATOM 529 CD1 LEU A 51 4.277 0.337 -2.878 1.00 0.00 C ATOM 530 CD2 LEU A 51 4.707 1.307 -0.621 1.00 0.00 C ATOM 0 H LEU A 51 7.109 -0.426 0.588 1.00 0.00 H new ATOM 0 HA LEU A 51 5.211 -1.566 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.295 0.578 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.943 -0.150 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 51 5.655 1.902 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.423 1.007 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.714 0.156 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.948 -0.609 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.848 1.964 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.385 0.389 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.450 1.809 -0.001 1.00 0.00 H new ATOM 542 N LYS A 52 8.417 -2.318 -1.532 1.00 0.00 N ATOM 543 CA LYS A 52 9.368 -3.214 -2.179 1.00 0.00 C ATOM 544 C LYS A 52 9.289 -4.640 -1.635 1.00 0.00 C ATOM 545 O LYS A 52 9.238 -5.598 -2.406 1.00 0.00 O ATOM 546 CB LYS A 52 10.789 -2.636 -2.047 1.00 0.00 C ATOM 547 CG LYS A 52 11.914 -3.660 -2.063 1.00 0.00 C ATOM 548 CD LYS A 52 12.273 -4.100 -0.652 1.00 0.00 C ATOM 549 CE LYS A 52 13.376 -5.140 -0.642 1.00 0.00 C ATOM 550 NZ LYS A 52 13.717 -5.563 0.740 1.00 0.00 N ATOM 0 H LYS A 52 8.846 -1.636 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 52 9.107 -3.282 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.952 -1.929 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.848 -2.071 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.613 -4.526 -2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.792 -3.233 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.588 -3.233 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.388 -4.507 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.063 -6.008 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.263 -4.735 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.683 -5.947 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.659 -4.744 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.048 -6.294 1.054 1.00 0.00 H new ATOM 564 N ASP A 53 9.249 -4.784 -0.317 1.00 0.00 N ATOM 565 CA ASP A 53 9.359 -6.105 0.295 1.00 0.00 C ATOM 566 C ASP A 53 8.061 -6.889 0.141 1.00 0.00 C ATOM 567 O ASP A 53 8.051 -8.117 0.215 1.00 0.00 O ATOM 568 CB ASP A 53 9.746 -5.996 1.770 1.00 0.00 C ATOM 569 CG ASP A 53 10.631 -7.146 2.214 1.00 0.00 C ATOM 570 OD1 ASP A 53 11.850 -7.103 1.934 1.00 0.00 O ATOM 571 OD2 ASP A 53 10.119 -8.091 2.852 1.00 0.00 O ATOM 0 H ASP A 53 9.143 -4.014 0.343 1.00 0.00 H new ATOM 0 HA ASP A 53 10.149 -6.646 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.266 -5.053 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.843 -5.977 2.381 1.00 0.00 H new ATOM 576 N ALA A 54 6.962 -6.170 -0.070 1.00 0.00 N ATOM 577 CA ALA A 54 5.674 -6.804 -0.331 1.00 0.00 C ATOM 578 C ALA A 54 5.628 -7.357 -1.753 1.00 0.00 C ATOM 579 O ALA A 54 5.024 -8.401 -2.007 1.00 0.00 O ATOM 580 CB ALA A 54 4.536 -5.820 -0.112 1.00 0.00 C ATOM 0 H ALA A 54 6.938 -5.150 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 54 5.554 -7.631 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.585 -6.313 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.552 -5.468 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.654 -4.972 -0.786 1.00 0.00 H new ATOM 586 N GLY A 55 6.288 -6.662 -2.670 1.00 0.00 N ATOM 587 CA GLY A 55 6.315 -7.097 -4.054 1.00 0.00 C ATOM 588 C GLY A 55 5.625 -6.121 -4.983 1.00 0.00 C ATOM 589 O GLY A 55 5.344 -6.446 -6.135 1.00 0.00 O ATOM 0 H GLY A 55 6.806 -5.804 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.350 -7.225 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.834 -8.072 -4.134 1.00 0.00 H new ATOM 593 N VAL A 56 5.346 -4.925 -4.485 1.00 0.00 N ATOM 594 CA VAL A 56 4.695 -3.898 -5.288 1.00 0.00 C ATOM 595 C VAL A 56 5.741 -3.011 -5.952 1.00 0.00 C ATOM 596 O VAL A 56 5.705 -2.779 -7.162 1.00 0.00 O ATOM 597 CB VAL A 56 3.751 -3.026 -4.436 1.00 0.00 C ATOM 598 CG1 VAL A 56 2.939 -2.090 -5.315 1.00 0.00 C ATOM 599 CG2 VAL A 56 2.836 -3.891 -3.589 1.00 0.00 C ATOM 0 H VAL A 56 5.560 -4.641 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 56 4.101 -4.403 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 56 4.363 -2.420 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.281 -1.485 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.612 -1.438 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.341 -2.675 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.179 -3.254 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.235 -4.529 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.436 -4.512 -2.924 1.00 0.00 H new ATOM 609 N LEU A 57 6.681 -2.530 -5.152 1.00 0.00 N ATOM 610 CA LEU A 57 7.772 -1.708 -5.655 1.00 0.00 C ATOM 611 C LEU A 57 8.867 -2.609 -6.210 1.00 0.00 C ATOM 612 O LEU A 57 9.790 -2.997 -5.499 1.00 0.00 O ATOM 613 CB LEU A 57 8.332 -0.819 -4.544 1.00 0.00 C ATOM 614 CG LEU A 57 9.411 0.182 -4.963 1.00 0.00 C ATOM 615 CD1 LEU A 57 8.800 1.362 -5.699 1.00 0.00 C ATOM 616 CD2 LEU A 57 10.186 0.651 -3.745 1.00 0.00 C ATOM 0 H LEU A 57 6.710 -2.696 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 57 7.395 -1.063 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.506 -0.266 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.743 -1.461 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 57 10.100 -0.316 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.587 2.059 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.286 1.007 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.088 1.868 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.952 1.363 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.505 1.132 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.659 -0.205 -3.263 1.00 0.00 H new ATOM 628 N ASP A 58 8.721 -2.972 -7.472 1.00 0.00 N ATOM 629 CA ASP A 58 9.654 -3.875 -8.133 1.00 0.00 C ATOM 630 C ASP A 58 10.936 -3.142 -8.523 1.00 0.00 C ATOM 631 O ASP A 58 12.031 -3.704 -8.470 1.00 0.00 O ATOM 632 CB ASP A 58 8.984 -4.463 -9.374 1.00 0.00 C ATOM 633 CG ASP A 58 9.787 -5.569 -10.016 1.00 0.00 C ATOM 634 OD1 ASP A 58 10.651 -5.268 -10.864 1.00 0.00 O ATOM 635 OD2 ASP A 58 9.543 -6.748 -9.686 1.00 0.00 O ATOM 0 H ASP A 58 7.957 -2.652 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 58 9.923 -4.676 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.001 -4.848 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.824 -3.669 -10.103 1.00 0.00 H new ATOM 640 N ASN A 59 10.772 -1.875 -8.904 1.00 0.00 N ATOM 641 CA ASN A 59 11.868 -1.007 -9.362 1.00 0.00 C ATOM 642 C ASN A 59 12.410 -1.440 -10.724 1.00 0.00 C ATOM 643 O ASN A 59 12.598 -0.611 -11.605 1.00 0.00 O ATOM 644 CB ASN A 59 13.012 -0.921 -8.343 1.00 0.00 C ATOM 645 CG ASN A 59 14.061 0.099 -8.759 1.00 0.00 C ATOM 646 OD1 ASN A 59 13.742 1.122 -9.369 1.00 0.00 O ATOM 647 ND2 ASN A 59 15.316 -0.170 -8.445 1.00 0.00 N ATOM 0 H ASN A 59 9.863 -1.412 -8.905 1.00 0.00 H new ATOM 0 HA ASN A 59 11.435 -0.012 -9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.610 -0.652 -7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.479 -1.900 -8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.058 0.479 -8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.543 -1.026 -7.940 1.00 0.00 H new ATOM 654 N LYS A 60 12.659 -2.729 -10.900 1.00 0.00 N ATOM 655 CA LYS A 60 13.118 -3.244 -12.183 1.00 0.00 C ATOM 656 C LYS A 60 12.047 -3.037 -13.248 1.00 0.00 C ATOM 657 O LYS A 60 12.265 -2.341 -14.241 1.00 0.00 O ATOM 658 CB LYS A 60 13.472 -4.730 -12.088 1.00 0.00 C ATOM 659 CG LYS A 60 14.892 -5.013 -11.616 1.00 0.00 C ATOM 660 CD LYS A 60 15.097 -4.700 -10.142 1.00 0.00 C ATOM 661 CE LYS A 60 16.503 -5.076 -9.702 1.00 0.00 C ATOM 662 NZ LYS A 60 16.724 -4.819 -8.255 1.00 0.00 N ATOM 0 H LYS A 60 12.552 -3.437 -10.173 1.00 0.00 H new ATOM 0 HA LYS A 60 14.017 -2.694 -12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.773 -5.214 -11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.330 -5.187 -13.067 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.127 -6.062 -11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.591 -4.423 -12.209 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.927 -3.638 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.366 -5.245 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.678 -6.131 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.229 -4.509 -10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.695 -5.090 -7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.582 -3.808 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.049 -5.379 -7.696 1.00 0.00 H new ATOM 676 N ALA A 61 10.883 -3.627 -13.018 1.00 0.00 N ATOM 677 CA ALA A 61 9.766 -3.505 -13.945 1.00 0.00 C ATOM 678 C ALA A 61 8.941 -2.255 -13.657 1.00 0.00 C ATOM 679 O ALA A 61 8.007 -1.936 -14.384 1.00 0.00 O ATOM 680 CB ALA A 61 8.887 -4.744 -13.868 1.00 0.00 C ATOM 0 H ALA A 61 10.687 -4.197 -12.195 1.00 0.00 H new ATOM 0 HA ALA A 61 10.171 -3.414 -14.953 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.055 -4.643 -14.565 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.475 -5.624 -14.130 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.501 -4.854 -12.855 1.00 0.00 H new ATOM 686 N ILE A 62 9.297 -1.546 -12.597 1.00 0.00 N ATOM 687 CA ILE A 62 8.570 -0.348 -12.199 1.00 0.00 C ATOM 688 C ILE A 62 9.311 0.898 -12.644 1.00 0.00 C ATOM 689 O ILE A 62 10.514 1.023 -12.424 1.00 0.00 O ATOM 690 CB ILE A 62 8.348 -0.311 -10.669 1.00 0.00 C ATOM 691 CG1 ILE A 62 7.401 -1.433 -10.242 1.00 0.00 C ATOM 692 CG2 ILE A 62 7.812 1.039 -10.219 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.028 -1.350 -10.875 1.00 0.00 C ATOM 0 H ILE A 62 10.087 -1.779 -11.995 1.00 0.00 H new ATOM 0 HA ILE A 62 7.596 -0.375 -12.687 1.00 0.00 H new ATOM 0 HB ILE A 62 9.313 -0.463 -10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.851 -2.392 -10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.293 -1.411 -9.158 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.667 1.031 -9.139 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.525 1.820 -10.484 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.859 1.235 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.414 -2.179 -10.523 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.556 -0.407 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.123 -1.404 -11.959 1.00 0.00 H new ATOM 705 N THR A 63 8.588 1.813 -13.268 1.00 0.00 N ATOM 706 CA THR A 63 9.182 3.008 -13.815 1.00 0.00 C ATOM 707 C THR A 63 9.400 4.052 -12.726 1.00 0.00 C ATOM 708 O THR A 63 8.443 4.632 -12.204 1.00 0.00 O ATOM 709 CB THR A 63 8.286 3.591 -14.915 1.00 0.00 C ATOM 710 OG1 THR A 63 7.456 2.558 -15.465 1.00 0.00 O ATOM 711 CG2 THR A 63 9.130 4.175 -16.019 1.00 0.00 C ATOM 0 H THR A 63 7.580 1.744 -13.406 1.00 0.00 H new ATOM 0 HA THR A 63 10.149 2.740 -14.242 1.00 0.00 H new ATOM 0 HB THR A 63 7.665 4.373 -14.478 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.547 2.644 -15.109 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.482 4.586 -16.794 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.760 4.968 -15.615 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.759 3.395 -16.448 1.00 0.00 H new ATOM 719 N GLY A 64 10.661 4.290 -12.390 1.00 0.00 N ATOM 720 CA GLY A 64 10.996 5.216 -11.326 1.00 0.00 C ATOM 721 C GLY A 64 10.660 6.650 -11.679 1.00 0.00 C ATOM 722 O GLY A 64 10.600 7.514 -10.805 1.00 0.00 O ATOM 0 H GLY A 64 11.465 3.853 -12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.460 4.933 -10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.060 5.140 -11.104 1.00 0.00 H new ATOM 726 N THR A 65 10.442 6.904 -12.960 1.00 0.00 N ATOM 727 CA THR A 65 10.063 8.225 -13.425 1.00 0.00 C ATOM 728 C THR A 65 8.630 8.554 -13.020 1.00 0.00 C ATOM 729 O THR A 65 8.360 9.616 -12.462 1.00 0.00 O ATOM 730 CB THR A 65 10.197 8.326 -14.954 1.00 0.00 C ATOM 731 OG1 THR A 65 9.599 7.177 -15.561 1.00 0.00 O ATOM 732 CG2 THR A 65 11.656 8.430 -15.371 1.00 0.00 C ATOM 0 H THR A 65 10.522 6.206 -13.699 1.00 0.00 H new ATOM 0 HA THR A 65 10.738 8.943 -12.959 1.00 0.00 H new ATOM 0 HB THR A 65 9.685 9.229 -15.287 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.682 7.241 -16.535 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.720 8.500 -16.457 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.100 9.319 -14.923 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.195 7.545 -15.032 1.00 0.00 H new ATOM 740 N MET A 66 7.717 7.627 -13.286 1.00 0.00 N ATOM 741 CA MET A 66 6.309 7.833 -12.979 1.00 0.00 C ATOM 742 C MET A 66 6.067 7.691 -11.483 1.00 0.00 C ATOM 743 O MET A 66 5.434 8.542 -10.854 1.00 0.00 O ATOM 744 CB MET A 66 5.453 6.826 -13.754 1.00 0.00 C ATOM 745 CG MET A 66 3.974 6.869 -13.404 1.00 0.00 C ATOM 746 SD MET A 66 3.207 8.463 -13.764 1.00 0.00 S ATOM 747 CE MET A 66 1.519 8.130 -13.268 1.00 0.00 C ATOM 0 H MET A 66 7.928 6.725 -13.714 1.00 0.00 H new ATOM 0 HA MET A 66 6.027 8.842 -13.280 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.568 7.013 -14.822 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.831 5.822 -13.564 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.453 6.088 -13.958 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.851 6.644 -12.345 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.910 9.020 -13.428 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.121 7.307 -13.861 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.497 7.860 -12.212 1.00 0.00 H new ATOM 757 N THR A 67 6.604 6.626 -10.915 1.00 0.00 N ATOM 758 CA THR A 67 6.390 6.320 -9.513 1.00 0.00 C ATOM 759 C THR A 67 7.121 7.309 -8.607 1.00 0.00 C ATOM 760 O THR A 67 6.595 7.712 -7.573 1.00 0.00 O ATOM 761 CB THR A 67 6.833 4.880 -9.201 1.00 0.00 C ATOM 762 OG1 THR A 67 8.216 4.708 -9.536 1.00 0.00 O ATOM 763 CG2 THR A 67 5.995 3.891 -9.996 1.00 0.00 C ATOM 0 H THR A 67 7.195 5.955 -11.407 1.00 0.00 H new ATOM 0 HA THR A 67 5.322 6.411 -9.314 1.00 0.00 H new ATOM 0 HB THR A 67 6.693 4.696 -8.136 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.305 4.581 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.317 2.875 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.945 4.007 -9.729 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.122 4.081 -11.062 1.00 0.00 H new ATOM 771 N GLY A 68 8.320 7.714 -9.014 1.00 0.00 N ATOM 772 CA GLY A 68 9.098 8.657 -8.227 1.00 0.00 C ATOM 773 C GLY A 68 8.365 9.965 -8.001 1.00 0.00 C ATOM 774 O GLY A 68 8.386 10.516 -6.899 1.00 0.00 O ATOM 0 H GLY A 68 8.769 7.406 -9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.341 8.209 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.043 8.856 -8.733 1.00 0.00 H new ATOM 778 N ILE A 69 7.707 10.457 -9.043 1.00 0.00 N ATOM 779 CA ILE A 69 6.911 11.671 -8.936 1.00 0.00 C ATOM 780 C ILE A 69 5.690 11.421 -8.054 1.00 0.00 C ATOM 781 O ILE A 69 5.321 12.263 -7.233 1.00 0.00 O ATOM 782 CB ILE A 69 6.461 12.177 -10.326 1.00 0.00 C ATOM 783 CG1 ILE A 69 7.687 12.485 -11.190 1.00 0.00 C ATOM 784 CG2 ILE A 69 5.576 13.410 -10.193 1.00 0.00 C ATOM 785 CD1 ILE A 69 7.352 12.903 -12.606 1.00 0.00 C ATOM 0 H ILE A 69 7.709 10.034 -9.971 1.00 0.00 H new ATOM 0 HA ILE A 69 7.535 12.441 -8.483 1.00 0.00 H new ATOM 0 HB ILE A 69 5.876 11.395 -10.809 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.264 13.278 -10.715 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.326 11.603 -11.224 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.272 13.748 -11.184 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.691 13.161 -9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.131 14.204 -9.693 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.273 13.104 -13.154 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.802 12.103 -13.101 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.739 13.804 -12.584 1.00 0.00 H new ATOM 797 N ALA A 70 5.087 10.248 -8.214 1.00 0.00 N ATOM 798 CA ALA A 70 3.945 9.854 -7.398 1.00 0.00 C ATOM 799 C ALA A 70 4.309 9.876 -5.915 1.00 0.00 C ATOM 800 O ALA A 70 3.648 10.539 -5.120 1.00 0.00 O ATOM 801 CB ALA A 70 3.455 8.472 -7.805 1.00 0.00 C ATOM 0 H ALA A 70 5.371 9.552 -8.903 1.00 0.00 H new ATOM 0 HA ALA A 70 3.141 10.571 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.602 8.192 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.155 8.486 -8.853 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.257 7.747 -7.667 1.00 0.00 H new ATOM 807 N PHE A 71 5.381 9.168 -5.563 1.00 0.00 N ATOM 808 CA PHE A 71 5.848 9.104 -4.180 1.00 0.00 C ATOM 809 C PHE A 71 6.110 10.496 -3.615 1.00 0.00 C ATOM 810 O PHE A 71 5.709 10.802 -2.492 1.00 0.00 O ATOM 811 CB PHE A 71 7.129 8.265 -4.078 1.00 0.00 C ATOM 812 CG PHE A 71 6.896 6.779 -4.021 1.00 0.00 C ATOM 813 CD1 PHE A 71 6.783 6.031 -5.181 1.00 0.00 C ATOM 814 CD2 PHE A 71 6.800 6.128 -2.800 1.00 0.00 C ATOM 815 CE1 PHE A 71 6.579 4.667 -5.128 1.00 0.00 C ATOM 816 CE2 PHE A 71 6.594 4.763 -2.740 1.00 0.00 C ATOM 817 CZ PHE A 71 6.483 4.032 -3.906 1.00 0.00 C ATOM 0 H PHE A 71 5.944 8.628 -6.220 1.00 0.00 H new ATOM 0 HA PHE A 71 5.059 8.633 -3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.764 8.488 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.678 8.569 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.856 6.522 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.887 6.695 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.495 4.097 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.520 4.269 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.321 2.965 -3.862 1.00 0.00 H new ATOM 827 N SER A 72 6.772 11.338 -4.397 1.00 0.00 N ATOM 828 CA SER A 72 7.152 12.667 -3.948 1.00 0.00 C ATOM 829 C SER A 72 5.934 13.583 -3.786 1.00 0.00 C ATOM 830 O SER A 72 5.888 14.406 -2.872 1.00 0.00 O ATOM 831 CB SER A 72 8.147 13.268 -4.934 1.00 0.00 C ATOM 832 OG SER A 72 9.263 12.405 -5.109 1.00 0.00 O ATOM 0 H SER A 72 7.058 11.120 -5.352 1.00 0.00 H new ATOM 0 HA SER A 72 7.618 12.577 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.658 13.438 -5.893 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.485 14.239 -4.572 1.00 0.00 H new ATOM 0 HG SER A 72 9.025 11.684 -5.728 1.00 0.00 H new ATOM 838 N LYS A 73 4.949 13.437 -4.668 1.00 0.00 N ATOM 839 CA LYS A 73 3.731 14.245 -4.601 1.00 0.00 C ATOM 840 C LYS A 73 2.864 13.800 -3.422 1.00 0.00 C ATOM 841 O LYS A 73 2.137 14.596 -2.825 1.00 0.00 O ATOM 842 CB LYS A 73 2.954 14.133 -5.916 1.00 0.00 C ATOM 843 CG LYS A 73 1.696 14.987 -5.969 1.00 0.00 C ATOM 844 CD LYS A 73 1.051 14.945 -7.347 1.00 0.00 C ATOM 845 CE LYS A 73 1.927 15.610 -8.401 1.00 0.00 C ATOM 846 NZ LYS A 73 2.076 17.071 -8.158 1.00 0.00 N ATOM 0 H LYS A 73 4.969 12.768 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 73 4.006 15.289 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.610 14.419 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.679 13.090 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.984 14.635 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.943 16.017 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.865 13.909 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.083 15.445 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.911 15.140 -8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.493 15.449 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.486 17.523 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.143 17.487 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.703 17.225 -7.343 1.00 0.00 H new ATOM 860 N VAL A 74 2.955 12.520 -3.105 1.00 0.00 N ATOM 861 CA VAL A 74 2.279 11.947 -1.950 1.00 0.00 C ATOM 862 C VAL A 74 2.936 12.401 -0.648 1.00 0.00 C ATOM 863 O VAL A 74 2.306 13.057 0.178 1.00 0.00 O ATOM 864 CB VAL A 74 2.307 10.412 -2.043 1.00 0.00 C ATOM 865 CG1 VAL A 74 1.951 9.757 -0.714 1.00 0.00 C ATOM 866 CG2 VAL A 74 1.360 9.960 -3.140 1.00 0.00 C ATOM 0 H VAL A 74 3.501 11.846 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 74 1.246 12.295 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 74 3.322 10.099 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.982 8.673 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.667 10.066 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.949 10.063 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.377 8.872 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.349 10.293 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.674 10.389 -4.091 1.00 0.00 H new ATOM 876 N THR A 75 4.204 12.072 -0.476 1.00 0.00 N ATOM 877 CA THR A 75 4.887 12.373 0.770 1.00 0.00 C ATOM 878 C THR A 75 5.254 13.847 0.860 1.00 0.00 C ATOM 879 O THR A 75 4.561 14.619 1.522 1.00 0.00 O ATOM 880 CB THR A 75 6.145 11.503 0.954 1.00 0.00 C ATOM 881 OG1 THR A 75 6.944 11.521 -0.240 1.00 0.00 O ATOM 882 CG2 THR A 75 5.752 10.074 1.297 1.00 0.00 C ATOM 0 H THR A 75 4.777 11.601 -1.176 1.00 0.00 H new ATOM 0 HA THR A 75 4.190 12.140 1.575 1.00 0.00 H new ATOM 0 HB THR A 75 6.733 11.913 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.541 10.932 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.650 9.470 1.424 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.176 10.067 2.222 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.147 9.659 0.490 1.00 0.00 H new ATOM 890 N GLY A 76 6.306 14.238 0.158 1.00 0.00 N ATOM 891 CA GLY A 76 6.811 15.589 0.267 1.00 0.00 C ATOM 892 C GLY A 76 7.762 15.711 1.438 1.00 0.00 C ATOM 893 O GLY A 76 8.941 15.368 1.316 1.00 0.00 O ATOM 0 H GLY A 76 6.821 13.640 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.323 15.867 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.981 16.284 0.392 1.00 0.00 H new ATOM 987 N THR A 82 0.274 11.197 4.540 1.00 0.00 N ATOM 988 CA THR A 82 -1.052 11.381 5.123 1.00 0.00 C ATOM 989 C THR A 82 -2.168 10.670 4.318 1.00 0.00 C ATOM 990 O THR A 82 -1.906 9.995 3.319 1.00 0.00 O ATOM 991 CB THR A 82 -1.341 12.896 5.335 1.00 0.00 C ATOM 992 OG1 THR A 82 -2.687 13.123 5.777 1.00 0.00 O ATOM 993 CG2 THR A 82 -1.064 13.701 4.077 1.00 0.00 C ATOM 0 HA THR A 82 -1.054 10.897 6.100 1.00 0.00 H new ATOM 0 HB THR A 82 -0.662 13.236 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.833 14.084 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.277 14.753 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.017 13.587 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.699 13.341 3.267 1.00 0.00 H new ATOM 1001 N PHE A 83 -3.407 10.847 4.776 1.00 0.00 N ATOM 1002 CA PHE A 83 -4.552 9.999 4.419 1.00 0.00 C ATOM 1003 C PHE A 83 -4.696 9.742 2.916 1.00 0.00 C ATOM 1004 O PHE A 83 -4.449 8.629 2.450 1.00 0.00 O ATOM 1005 CB PHE A 83 -5.843 10.632 4.949 1.00 0.00 C ATOM 1006 CG PHE A 83 -5.715 11.205 6.335 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -5.046 10.513 7.332 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -6.258 12.445 6.637 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -4.922 11.046 8.601 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -6.136 12.982 7.904 1.00 0.00 C ATOM 1011 CZ PHE A 83 -5.468 12.280 8.888 1.00 0.00 C ATOM 0 H PHE A 83 -3.652 11.599 5.420 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.367 9.029 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -6.156 11.423 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.632 9.880 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.617 9.546 7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.783 12.998 5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.397 10.496 9.368 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.562 13.949 8.125 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.373 12.696 9.880 1.00 0.00 H new ATOM 1021 N ASP A 84 -5.096 10.759 2.160 1.00 0.00 N ATOM 1022 CA ASP A 84 -5.381 10.572 0.736 1.00 0.00 C ATOM 1023 C ASP A 84 -4.088 10.366 -0.041 1.00 0.00 C ATOM 1024 O ASP A 84 -4.063 9.677 -1.051 1.00 0.00 O ATOM 1025 CB ASP A 84 -6.166 11.760 0.172 1.00 0.00 C ATOM 1026 CG ASP A 84 -6.783 11.461 -1.186 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -7.772 10.698 -1.242 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -6.304 12.002 -2.202 1.00 0.00 O ATOM 0 H ASP A 84 -5.230 11.711 2.501 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.998 9.680 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.954 12.035 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.503 12.620 0.084 1.00 0.00 H new ATOM 1033 N GLU A 85 -3.022 10.975 0.455 1.00 0.00 N ATOM 1034 CA GLU A 85 -1.673 10.799 -0.077 1.00 0.00 C ATOM 1035 C GLU A 85 -1.337 9.312 -0.265 1.00 0.00 C ATOM 1036 O GLU A 85 -0.973 8.889 -1.362 1.00 0.00 O ATOM 1037 CB GLU A 85 -0.681 11.452 0.884 1.00 0.00 C ATOM 1038 CG GLU A 85 -0.584 12.970 0.754 1.00 0.00 C ATOM 1039 CD GLU A 85 -1.926 13.686 0.684 1.00 0.00 C ATOM 1040 OE1 GLU A 85 -2.809 13.420 1.532 1.00 0.00 O ATOM 1041 OE2 GLU A 85 -2.096 14.530 -0.225 1.00 0.00 O ATOM 0 H GLU A 85 -3.067 11.614 1.249 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.611 11.272 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.967 11.205 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.306 11.021 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.023 13.359 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.012 13.209 -0.142 1.00 0.00 H new ATOM 1048 N THR A 86 -1.477 8.523 0.798 1.00 0.00 N ATOM 1049 CA THR A 86 -1.206 7.085 0.730 1.00 0.00 C ATOM 1050 C THR A 86 -2.093 6.408 -0.320 1.00 0.00 C ATOM 1051 O THR A 86 -1.648 5.526 -1.059 1.00 0.00 O ATOM 1052 CB THR A 86 -1.421 6.413 2.103 1.00 0.00 C ATOM 1053 OG1 THR A 86 -0.497 6.953 3.054 1.00 0.00 O ATOM 1054 CG2 THR A 86 -1.235 4.902 2.016 1.00 0.00 C ATOM 0 H THR A 86 -1.776 8.852 1.716 1.00 0.00 H new ATOM 0 HA THR A 86 -0.162 6.964 0.440 1.00 0.00 H new ATOM 0 HB THR A 86 -2.444 6.614 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.637 6.526 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.393 4.459 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.955 4.487 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.224 4.679 1.676 1.00 0.00 H new ATOM 1062 N LYS A 87 -3.339 6.846 -0.386 1.00 0.00 N ATOM 1063 CA LYS A 87 -4.280 6.353 -1.382 1.00 0.00 C ATOM 1064 C LYS A 87 -3.813 6.719 -2.796 1.00 0.00 C ATOM 1065 O LYS A 87 -3.897 5.904 -3.718 1.00 0.00 O ATOM 1066 CB LYS A 87 -5.670 6.929 -1.082 1.00 0.00 C ATOM 1067 CG LYS A 87 -6.631 6.915 -2.257 1.00 0.00 C ATOM 1068 CD LYS A 87 -8.001 7.429 -1.846 1.00 0.00 C ATOM 1069 CE LYS A 87 -8.739 8.060 -3.014 1.00 0.00 C ATOM 1070 NZ LYS A 87 -8.053 9.288 -3.499 1.00 0.00 N ATOM 0 H LYS A 87 -3.727 7.548 0.244 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.331 5.265 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.113 6.364 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.555 7.956 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.234 7.532 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.721 5.901 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.592 6.606 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.890 8.162 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.815 7.340 -3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.757 8.307 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.728 9.877 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.686 9.824 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.264 9.022 -4.123 1.00 0.00 H new ATOM 1084 N LYS A 88 -3.302 7.937 -2.950 1.00 0.00 N ATOM 1085 CA LYS A 88 -2.796 8.406 -4.232 1.00 0.00 C ATOM 1086 C LYS A 88 -1.650 7.529 -4.728 1.00 0.00 C ATOM 1087 O LYS A 88 -1.708 6.986 -5.831 1.00 0.00 O ATOM 1088 CB LYS A 88 -2.303 9.853 -4.123 1.00 0.00 C ATOM 1089 CG LYS A 88 -3.380 10.874 -3.801 1.00 0.00 C ATOM 1090 CD LYS A 88 -2.784 12.272 -3.706 1.00 0.00 C ATOM 1091 CE LYS A 88 -3.807 13.303 -3.259 1.00 0.00 C ATOM 1092 NZ LYS A 88 -4.918 13.451 -4.234 1.00 0.00 N ATOM 0 H LYS A 88 -3.228 8.620 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.620 8.352 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.534 9.902 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.829 10.132 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.150 10.853 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.864 10.615 -2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.950 12.263 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.381 12.560 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.213 13.013 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.314 14.266 -3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.103 14.461 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.655 12.997 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.775 12.999 -3.855 1.00 0.00 H new ATOM 1106 N VAL A 89 -0.619 7.384 -3.900 1.00 0.00 N ATOM 1107 CA VAL A 89 0.608 6.707 -4.316 1.00 0.00 C ATOM 1108 C VAL A 89 0.345 5.266 -4.736 1.00 0.00 C ATOM 1109 O VAL A 89 0.822 4.830 -5.782 1.00 0.00 O ATOM 1110 CB VAL A 89 1.706 6.752 -3.220 1.00 0.00 C ATOM 1111 CG1 VAL A 89 1.245 6.099 -1.928 1.00 0.00 C ATOM 1112 CG2 VAL A 89 2.993 6.115 -3.718 1.00 0.00 C ATOM 0 H VAL A 89 -0.608 7.725 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 89 0.977 7.256 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 89 1.902 7.802 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.044 6.152 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.365 6.620 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.995 5.055 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.748 6.158 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.805 5.075 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.350 6.655 -4.595 1.00 0.00 H new ATOM 1122 N LEU A 90 -0.436 4.539 -3.946 1.00 0.00 N ATOM 1123 CA LEU A 90 -0.718 3.146 -4.253 1.00 0.00 C ATOM 1124 C LEU A 90 -1.508 3.028 -5.550 1.00 0.00 C ATOM 1125 O LEU A 90 -1.344 2.065 -6.296 1.00 0.00 O ATOM 1126 CB LEU A 90 -1.463 2.466 -3.101 1.00 0.00 C ATOM 1127 CG LEU A 90 -0.654 2.306 -1.807 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -1.359 1.366 -0.843 1.00 0.00 C ATOM 1129 CD2 LEU A 90 0.751 1.802 -2.108 1.00 0.00 C ATOM 0 H LEU A 90 -0.880 4.888 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 90 0.235 2.633 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.362 3.042 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.789 1.480 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.575 3.286 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.767 1.268 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.341 1.768 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.474 0.387 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.307 1.696 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.691 0.835 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.262 2.514 -2.756 1.00 0.00 H new ATOM 1141 N ALA A 91 -2.349 4.020 -5.821 1.00 0.00 N ATOM 1142 CA ALA A 91 -3.109 4.052 -7.062 1.00 0.00 C ATOM 1143 C ALA A 91 -2.211 4.391 -8.252 1.00 0.00 C ATOM 1144 O ALA A 91 -2.270 3.728 -9.286 1.00 0.00 O ATOM 1145 CB ALA A 91 -4.259 5.040 -6.956 1.00 0.00 C ATOM 0 H ALA A 91 -2.520 4.810 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.522 3.057 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.817 5.051 -7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.921 4.742 -6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.865 6.037 -6.756 1.00 0.00 H new ATOM 1151 N PHE A 92 -1.368 5.411 -8.099 1.00 0.00 N ATOM 1152 CA PHE A 92 -0.485 5.847 -9.182 1.00 0.00 C ATOM 1153 C PHE A 92 0.532 4.767 -9.549 1.00 0.00 C ATOM 1154 O PHE A 92 0.774 4.507 -10.731 1.00 0.00 O ATOM 1155 CB PHE A 92 0.243 7.139 -8.807 1.00 0.00 C ATOM 1156 CG PHE A 92 -0.627 8.365 -8.824 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -1.312 8.725 -9.971 1.00 0.00 C ATOM 1158 CD2 PHE A 92 -0.743 9.166 -7.699 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -2.100 9.860 -9.996 1.00 0.00 C ATOM 1160 CE2 PHE A 92 -1.532 10.301 -7.719 1.00 0.00 C ATOM 1161 CZ PHE A 92 -2.210 10.648 -8.869 1.00 0.00 C ATOM 0 H PHE A 92 -1.277 5.950 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.114 6.034 -10.052 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.671 7.025 -7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.074 7.288 -9.496 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.230 8.112 -10.857 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.211 8.901 -6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.630 10.130 -10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.617 10.915 -6.835 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.826 11.535 -8.887 1.00 0.00 H new ATOM 1171 N VAL A 93 1.129 4.141 -8.540 1.00 0.00 N ATOM 1172 CA VAL A 93 2.101 3.079 -8.776 1.00 0.00 C ATOM 1173 C VAL A 93 1.443 1.908 -9.502 1.00 0.00 C ATOM 1174 O VAL A 93 1.987 1.380 -10.477 1.00 0.00 O ATOM 1175 CB VAL A 93 2.746 2.588 -7.459 1.00 0.00 C ATOM 1176 CG1 VAL A 93 3.678 1.414 -7.716 1.00 0.00 C ATOM 1177 CG2 VAL A 93 3.501 3.722 -6.782 1.00 0.00 C ATOM 0 H VAL A 93 0.958 4.349 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 93 2.892 3.493 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 93 1.949 2.253 -6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.119 1.087 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.115 0.592 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.469 1.721 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.949 3.360 -5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.285 4.085 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.811 4.535 -6.557 1.00 0.00 H new ATOM 1187 N ALA A 94 0.261 1.521 -9.035 1.00 0.00 N ATOM 1188 CA ALA A 94 -0.489 0.446 -9.667 1.00 0.00 C ATOM 1189 C ALA A 94 -0.870 0.821 -11.094 1.00 0.00 C ATOM 1190 O ALA A 94 -0.765 0.002 -11.999 1.00 0.00 O ATOM 1191 CB ALA A 94 -1.731 0.114 -8.856 1.00 0.00 C ATOM 0 H ALA A 94 -0.196 1.936 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 94 0.147 -0.438 -9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.279 -0.692 -9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.438 -0.201 -7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.367 0.996 -8.788 1.00 0.00 H new ATOM 1197 N GLU A 95 -1.300 2.065 -11.281 1.00 0.00 N ATOM 1198 CA GLU A 95 -1.696 2.570 -12.592 1.00 0.00 C ATOM 1199 C GLU A 95 -0.580 2.408 -13.627 1.00 0.00 C ATOM 1200 O GLU A 95 -0.819 1.912 -14.731 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.097 4.043 -12.492 1.00 0.00 C ATOM 1202 CG GLU A 95 -2.628 4.614 -13.796 1.00 0.00 C ATOM 1203 CD GLU A 95 -2.967 6.080 -13.696 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -2.032 6.902 -13.631 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -4.171 6.416 -13.698 1.00 0.00 O ATOM 0 H GLU A 95 -1.384 2.750 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.550 1.979 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.858 4.153 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.233 4.626 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.884 4.470 -14.580 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.518 4.059 -14.095 1.00 0.00 H new ATOM 1212 N ASP A 96 0.631 2.831 -13.273 1.00 0.00 N ATOM 1213 CA ASP A 96 1.773 2.736 -14.186 1.00 0.00 C ATOM 1214 C ASP A 96 2.055 1.282 -14.543 1.00 0.00 C ATOM 1215 O ASP A 96 2.140 0.926 -15.722 1.00 0.00 O ATOM 1216 CB ASP A 96 3.019 3.374 -13.563 1.00 0.00 C ATOM 1217 CG ASP A 96 4.226 3.310 -14.484 1.00 0.00 C ATOM 1218 OD1 ASP A 96 4.195 3.959 -15.556 1.00 0.00 O ATOM 1219 OD2 ASP A 96 5.213 2.630 -14.132 1.00 0.00 O ATOM 0 H ASP A 96 0.849 3.242 -12.365 1.00 0.00 H new ATOM 0 HA ASP A 96 1.522 3.278 -15.098 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.807 4.415 -13.319 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.253 2.868 -12.626 1.00 0.00 H new ATOM 1224 N ARG A 97 2.169 0.450 -13.516 1.00 0.00 N ATOM 1225 CA ARG A 97 2.410 -0.977 -13.693 1.00 0.00 C ATOM 1226 C ARG A 97 1.293 -1.616 -14.520 1.00 0.00 C ATOM 1227 O ARG A 97 1.553 -2.407 -15.425 1.00 0.00 O ATOM 1228 CB ARG A 97 2.522 -1.646 -12.319 1.00 0.00 C ATOM 1229 CG ARG A 97 2.666 -3.163 -12.356 1.00 0.00 C ATOM 1230 CD ARG A 97 2.891 -3.722 -10.957 1.00 0.00 C ATOM 1231 NE ARG A 97 2.756 -5.179 -10.900 1.00 0.00 N ATOM 1232 CZ ARG A 97 3.665 -5.996 -10.362 1.00 0.00 C ATOM 1233 NH1 ARG A 97 4.807 -5.507 -9.880 1.00 0.00 N ATOM 1234 NH2 ARG A 97 3.431 -7.301 -10.304 1.00 0.00 N ATOM 0 H ARG A 97 2.098 0.743 -12.542 1.00 0.00 H new ATOM 0 HA ARG A 97 3.345 -1.118 -14.236 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.381 -1.226 -11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.637 -1.393 -11.734 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.770 -3.607 -12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.501 -3.437 -13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.886 -3.440 -10.614 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.177 -3.268 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 97 1.914 -5.596 -11.296 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.990 -4.504 -9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.498 -6.135 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.557 -7.679 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.125 -7.926 -9.893 1.00 0.00 H new ATOM 1248 N ALA A 98 0.058 -1.239 -14.220 1.00 0.00 N ATOM 1249 CA ALA A 98 -1.106 -1.783 -14.904 1.00 0.00 C ATOM 1250 C ALA A 98 -1.097 -1.453 -16.388 1.00 0.00 C ATOM 1251 O ALA A 98 -1.207 -2.346 -17.225 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.376 -1.250 -14.276 1.00 0.00 C ATOM 0 H ALA A 98 -0.164 -0.552 -13.500 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.068 -2.867 -14.799 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.240 -1.664 -14.796 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.412 -1.539 -13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.392 -0.163 -14.354 1.00 0.00 H new ATOM 1258 N ARG A 99 -0.966 -0.169 -16.709 1.00 0.00 N ATOM 1259 CA ARG A 99 -0.989 0.279 -18.098 1.00 0.00 C ATOM 1260 C ARG A 99 0.187 -0.293 -18.881 1.00 0.00 C ATOM 1261 O ARG A 99 0.113 -0.453 -20.102 1.00 0.00 O ATOM 1262 CB ARG A 99 -0.989 1.809 -18.183 1.00 0.00 C ATOM 1263 CG ARG A 99 -2.339 2.434 -17.860 1.00 0.00 C ATOM 1264 CD ARG A 99 -2.369 3.924 -18.182 1.00 0.00 C ATOM 1265 NE ARG A 99 -1.754 4.748 -17.136 1.00 0.00 N ATOM 1266 CZ ARG A 99 -1.457 6.046 -17.287 1.00 0.00 C ATOM 1267 NH1 ARG A 99 -1.637 6.643 -18.462 1.00 0.00 N ATOM 1268 NH2 ARG A 99 -0.984 6.750 -16.261 1.00 0.00 N ATOM 0 H ARG A 99 -0.843 0.579 -16.027 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.911 -0.091 -18.546 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.241 2.203 -17.495 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.689 2.109 -19.187 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.119 1.925 -18.426 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.564 2.287 -16.804 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.851 4.097 -19.125 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.403 4.239 -18.324 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.540 4.307 -16.241 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.003 6.113 -19.253 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.410 7.631 -18.572 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.846 6.302 -15.355 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.759 7.738 -16.381 1.00 0.00 H new ATOM 1282 N GLN A 100 1.268 -0.596 -18.176 1.00 0.00 N ATOM 1283 CA GLN A 100 2.440 -1.192 -18.798 1.00 0.00 C ATOM 1284 C GLN A 100 2.231 -2.687 -19.040 1.00 0.00 C ATOM 1285 O GLN A 100 2.541 -3.198 -20.118 1.00 0.00 O ATOM 1286 CB GLN A 100 3.675 -0.964 -17.926 1.00 0.00 C ATOM 1287 CG GLN A 100 4.909 -1.708 -18.404 1.00 0.00 C ATOM 1288 CD GLN A 100 6.130 -1.385 -17.576 1.00 0.00 C ATOM 1289 OE1 GLN A 100 6.895 -0.480 -17.904 1.00 0.00 O ATOM 1290 NE2 GLN A 100 6.319 -2.120 -16.497 1.00 0.00 N ATOM 0 H GLN A 100 1.357 -0.438 -17.172 1.00 0.00 H new ATOM 0 HA GLN A 100 2.595 -0.710 -19.763 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.895 0.103 -17.896 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.449 -1.272 -16.905 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.721 -2.781 -18.366 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.102 -1.455 -19.446 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.658 -2.861 -16.263 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.126 -1.947 -15.897 1.00 0.00 H new ATOM 1299 N SER A 101 1.703 -3.379 -18.037 1.00 0.00 N ATOM 1300 CA SER A 101 1.481 -4.816 -18.125 1.00 0.00 C ATOM 1301 C SER A 101 0.286 -5.127 -19.025 1.00 0.00 C ATOM 1302 O SER A 101 0.454 -5.559 -20.165 1.00 0.00 O ATOM 1303 CB SER A 101 1.266 -5.405 -16.725 1.00 0.00 C ATOM 1304 OG SER A 101 1.101 -6.816 -16.770 1.00 0.00 O ATOM 0 H SER A 101 1.420 -2.965 -17.149 1.00 0.00 H new ATOM 0 HA SER A 101 2.366 -5.275 -18.566 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.118 -5.158 -16.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.387 -4.950 -16.269 1.00 0.00 H new ATOM 0 HG SER A 101 0.968 -7.159 -15.862 1.00 0.00 H new ATOM 1310 N LYS A 102 -0.917 -4.904 -18.514 1.00 0.00 N ATOM 1311 CA LYS A 102 -2.124 -5.164 -19.282 1.00 0.00 C ATOM 1312 C LYS A 102 -2.692 -3.859 -19.829 1.00 0.00 C ATOM 1313 O LYS A 102 -2.515 -3.551 -21.008 1.00 0.00 O ATOM 1314 CB LYS A 102 -3.158 -5.881 -18.410 1.00 0.00 C ATOM 1315 CG LYS A 102 -4.400 -6.325 -19.169 1.00 0.00 C ATOM 1316 CD LYS A 102 -5.337 -7.134 -18.284 1.00 0.00 C ATOM 1317 CE LYS A 102 -4.708 -8.451 -17.857 1.00 0.00 C ATOM 1318 NZ LYS A 102 -5.613 -9.244 -16.983 1.00 0.00 N ATOM 0 H LYS A 102 -1.082 -4.545 -17.574 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.876 -5.810 -20.124 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.692 -6.754 -17.953 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.457 -5.218 -17.598 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.925 -5.450 -19.552 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.106 -6.923 -20.031 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.597 -6.551 -17.400 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.265 -7.331 -18.820 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.455 -9.035 -18.742 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.776 -8.253 -17.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.248 -10.214 -16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.659 -8.804 -16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.565 -9.269 -17.401 1.00 0.00 H new ATOM 1332 N LYS A 103 -3.344 -3.099 -18.944 1.00 0.00 N ATOM 1333 CA LYS A 103 -3.897 -1.775 -19.253 1.00 0.00 C ATOM 1334 C LYS A 103 -4.799 -1.249 -18.114 1.00 0.00 C ATOM 1335 O LYS A 103 -4.732 -0.063 -17.793 1.00 0.00 O ATOM 1336 CB LYS A 103 -4.655 -1.733 -20.599 1.00 0.00 C ATOM 1337 CG LYS A 103 -5.867 -2.644 -20.701 1.00 0.00 C ATOM 1338 CD LYS A 103 -6.579 -2.457 -22.029 1.00 0.00 C ATOM 1339 CE LYS A 103 -7.853 -3.279 -22.103 1.00 0.00 C ATOM 1340 NZ LYS A 103 -8.588 -3.042 -23.371 1.00 0.00 N ATOM 0 H LYS A 103 -3.505 -3.389 -17.980 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.035 -1.115 -19.348 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.977 -0.708 -20.782 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.959 -1.995 -21.396 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.555 -3.683 -20.595 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.555 -2.432 -19.883 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.817 -1.403 -22.169 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.913 -2.744 -22.843 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.608 -4.338 -22.017 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.496 -3.031 -21.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.452 -3.621 -23.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.844 -2.036 -23.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.984 -3.303 -24.176 1.00 0.00 H new ATOM 1354 N PRO A 104 -5.651 -2.093 -17.463 1.00 0.00 N ATOM 1355 CA PRO A 104 -6.553 -1.635 -16.406 1.00 0.00 C ATOM 1356 C PRO A 104 -5.866 -1.607 -15.048 1.00 0.00 C ATOM 1357 O PRO A 104 -5.271 -2.601 -14.624 1.00 0.00 O ATOM 1358 CB PRO A 104 -7.683 -2.677 -16.407 1.00 0.00 C ATOM 1359 CG PRO A 104 -7.288 -3.721 -17.405 1.00 0.00 C ATOM 1360 CD PRO A 104 -5.825 -3.532 -17.666 1.00 0.00 C ATOM 0 HA PRO A 104 -6.901 -0.617 -16.583 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.810 -3.114 -15.417 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -8.634 -2.219 -16.678 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.487 -4.721 -17.019 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.863 -3.615 -18.325 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.212 -4.116 -16.980 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.550 -3.836 -18.676 1.00 0.00 H new ATOM 1368 N ILE A 105 -5.961 -0.477 -14.367 1.00 0.00 N ATOM 1369 CA ILE A 105 -5.286 -0.291 -13.096 1.00 0.00 C ATOM 1370 C ILE A 105 -5.892 -1.178 -12.008 1.00 0.00 C ATOM 1371 O ILE A 105 -5.172 -1.717 -11.165 1.00 0.00 O ATOM 1372 CB ILE A 105 -5.253 1.205 -12.685 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -6.613 1.734 -12.216 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -4.769 2.039 -13.858 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -6.851 1.607 -10.722 1.00 0.00 C ATOM 0 H ILE A 105 -6.503 0.329 -14.677 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.250 -0.606 -13.220 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.571 1.286 -11.839 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.698 2.783 -12.498 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.401 1.197 -12.745 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.745 3.090 -13.572 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.767 1.718 -14.144 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.447 1.908 -14.702 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.836 2.004 -10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.801 0.557 -10.434 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.088 2.168 -10.183 1.00 0.00 H new ATOM 1387 N GLN A 106 -7.214 -1.325 -12.030 1.00 0.00 N ATOM 1388 CA GLN A 106 -7.907 -2.154 -11.050 1.00 0.00 C ATOM 1389 C GLN A 106 -7.397 -3.590 -11.140 1.00 0.00 C ATOM 1390 O GLN A 106 -7.047 -4.191 -10.133 1.00 0.00 O ATOM 1391 CB GLN A 106 -9.425 -2.109 -11.297 1.00 0.00 C ATOM 1392 CG GLN A 106 -10.292 -2.412 -10.073 1.00 0.00 C ATOM 1393 CD GLN A 106 -10.019 -3.770 -9.455 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -10.575 -4.784 -9.878 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -9.188 -3.795 -8.425 1.00 0.00 N ATOM 0 H GLN A 106 -7.826 -0.881 -12.715 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.708 -1.769 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -9.687 -1.120 -11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -9.671 -2.823 -12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.126 -1.640 -9.321 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.342 -2.357 -10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.747 -2.933 -8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.989 -4.676 -7.952 1.00 0.00 H new ATOM 1404 N ASP A 107 -7.328 -4.113 -12.359 1.00 0.00 N ATOM 1405 CA ASP A 107 -6.924 -5.502 -12.592 1.00 0.00 C ATOM 1406 C ASP A 107 -5.560 -5.792 -11.963 1.00 0.00 C ATOM 1407 O ASP A 107 -5.372 -6.808 -11.289 1.00 0.00 O ATOM 1408 CB ASP A 107 -6.879 -5.783 -14.097 1.00 0.00 C ATOM 1409 CG ASP A 107 -6.789 -7.263 -14.419 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -7.832 -7.949 -14.375 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -5.684 -7.746 -14.737 1.00 0.00 O ATOM 0 H ASP A 107 -7.548 -3.595 -13.209 1.00 0.00 H new ATOM 0 HA ASP A 107 -7.658 -6.156 -12.123 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.771 -5.368 -14.566 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.022 -5.269 -14.532 1.00 0.00 H new ATOM 1416 N GLU A 108 -4.622 -4.876 -12.167 1.00 0.00 N ATOM 1417 CA GLU A 108 -3.283 -5.005 -11.603 1.00 0.00 C ATOM 1418 C GLU A 108 -3.326 -4.886 -10.077 1.00 0.00 C ATOM 1419 O GLU A 108 -2.696 -5.668 -9.364 1.00 0.00 O ATOM 1420 CB GLU A 108 -2.368 -3.927 -12.187 1.00 0.00 C ATOM 1421 CG GLU A 108 -0.908 -4.050 -11.778 1.00 0.00 C ATOM 1422 CD GLU A 108 -0.243 -5.299 -12.324 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -0.194 -5.462 -13.558 1.00 0.00 O ATOM 1424 OE2 GLU A 108 0.266 -6.108 -11.518 1.00 0.00 O ATOM 0 H GLU A 108 -4.764 -4.032 -12.721 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.890 -5.988 -11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.432 -3.964 -13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.737 -2.949 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.363 -3.173 -12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.840 -4.055 -10.690 1.00 0.00 H new ATOM 1431 N LEU A 109 -4.091 -3.915 -9.580 1.00 0.00 N ATOM 1432 CA LEU A 109 -4.201 -3.687 -8.143 1.00 0.00 C ATOM 1433 C LEU A 109 -4.872 -4.875 -7.469 1.00 0.00 C ATOM 1434 O LEU A 109 -4.551 -5.225 -6.335 1.00 0.00 O ATOM 1435 CB LEU A 109 -5.000 -2.414 -7.847 1.00 0.00 C ATOM 1436 CG LEU A 109 -5.173 -2.095 -6.358 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -3.854 -1.654 -5.745 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -6.245 -1.036 -6.153 1.00 0.00 C ATOM 0 H LEU A 109 -4.642 -3.275 -10.152 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.193 -3.567 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.505 -1.571 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.986 -2.507 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.495 -3.005 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.000 -1.433 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.119 -2.452 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.496 -0.761 -6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -6.350 -0.826 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.960 -0.123 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -7.195 -1.398 -6.547 1.00 0.00 H new ATOM 1450 N ASP A 110 -5.805 -5.487 -8.181 1.00 0.00 N ATOM 1451 CA ASP A 110 -6.530 -6.642 -7.678 1.00 0.00 C ATOM 1452 C ASP A 110 -5.554 -7.772 -7.380 1.00 0.00 C ATOM 1453 O ASP A 110 -5.597 -8.376 -6.309 1.00 0.00 O ATOM 1454 CB ASP A 110 -7.570 -7.091 -8.706 1.00 0.00 C ATOM 1455 CG ASP A 110 -8.633 -7.989 -8.110 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -9.585 -7.458 -7.502 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -8.543 -9.222 -8.270 1.00 0.00 O ATOM 0 H ASP A 110 -6.080 -5.198 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.045 -6.372 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.046 -6.213 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.068 -7.618 -9.517 1.00 0.00 H new ATOM 1462 N ALA A 111 -4.643 -8.015 -8.319 1.00 0.00 N ATOM 1463 CA ALA A 111 -3.606 -9.025 -8.143 1.00 0.00 C ATOM 1464 C ALA A 111 -2.695 -8.679 -6.965 1.00 0.00 C ATOM 1465 O ALA A 111 -2.249 -9.562 -6.231 1.00 0.00 O ATOM 1466 CB ALA A 111 -2.793 -9.172 -9.419 1.00 0.00 C ATOM 0 H ALA A 111 -4.603 -7.524 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.091 -9.976 -7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.022 -9.929 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.449 -9.474 -10.236 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -2.324 -8.219 -9.663 1.00 0.00 H new ATOM 1472 N ILE A 112 -2.427 -7.388 -6.794 1.00 0.00 N ATOM 1473 CA ILE A 112 -1.622 -6.899 -5.674 1.00 0.00 C ATOM 1474 C ILE A 112 -2.353 -7.118 -4.349 1.00 0.00 C ATOM 1475 O ILE A 112 -1.760 -7.547 -3.357 1.00 0.00 O ATOM 1476 CB ILE A 112 -1.298 -5.396 -5.843 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -0.453 -5.175 -7.100 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -0.580 -4.851 -4.612 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -0.206 -3.715 -7.424 1.00 0.00 C ATOM 0 H ILE A 112 -2.758 -6.655 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 112 -0.689 -7.462 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.237 -4.853 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.506 -5.677 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.950 -5.646 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.363 -3.792 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.216 -4.975 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.353 -5.395 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.399 -3.640 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.159 -3.211 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.320 -3.242 -6.595 1.00 0.00 H new ATOM 1491 N THR A 113 -3.647 -6.833 -4.350 1.00 0.00 N ATOM 1492 CA THR A 113 -4.472 -7.001 -3.162 1.00 0.00 C ATOM 1493 C THR A 113 -4.513 -8.474 -2.749 1.00 0.00 C ATOM 1494 O THR A 113 -4.327 -8.808 -1.577 1.00 0.00 O ATOM 1495 CB THR A 113 -5.903 -6.476 -3.410 1.00 0.00 C ATOM 1496 OG1 THR A 113 -5.845 -5.159 -3.978 1.00 0.00 O ATOM 1497 CG2 THR A 113 -6.700 -6.421 -2.118 1.00 0.00 C ATOM 0 H THR A 113 -4.151 -6.482 -5.165 1.00 0.00 H new ATOM 0 HA THR A 113 -4.029 -6.420 -2.353 1.00 0.00 H new ATOM 0 HB THR A 113 -6.397 -7.162 -4.098 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.672 -5.225 -4.940 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.703 -6.048 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.766 -7.421 -1.689 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.203 -5.755 -1.412 1.00 0.00 H new ATOM 1505 N GLU A 114 -4.721 -9.351 -3.729 1.00 0.00 N ATOM 1506 CA GLU A 114 -4.698 -10.788 -3.494 1.00 0.00 C ATOM 1507 C GLU A 114 -3.331 -11.225 -2.993 1.00 0.00 C ATOM 1508 O GLU A 114 -3.227 -12.079 -2.116 1.00 0.00 O ATOM 1509 CB GLU A 114 -5.028 -11.548 -4.773 1.00 0.00 C ATOM 1510 CG GLU A 114 -6.402 -11.244 -5.333 1.00 0.00 C ATOM 1511 CD GLU A 114 -6.742 -12.131 -6.506 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -6.050 -12.049 -7.539 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -7.698 -12.922 -6.396 1.00 0.00 O ATOM 0 H GLU A 114 -4.908 -9.087 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 114 -5.450 -11.014 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.279 -11.311 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.955 -12.618 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.150 -11.375 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.444 -10.200 -5.643 1.00 0.00 H new ATOM 1520 N LYS A 115 -2.292 -10.639 -3.579 1.00 0.00 N ATOM 1521 CA LYS A 115 -0.912 -10.961 -3.239 1.00 0.00 C ATOM 1522 C LYS A 115 -0.690 -10.931 -1.731 1.00 0.00 C ATOM 1523 O LYS A 115 -0.210 -11.904 -1.156 1.00 0.00 O ATOM 1524 CB LYS A 115 0.037 -9.974 -3.928 1.00 0.00 C ATOM 1525 CG LYS A 115 1.513 -10.274 -3.722 1.00 0.00 C ATOM 1526 CD LYS A 115 1.900 -11.602 -4.348 1.00 0.00 C ATOM 1527 CE LYS A 115 3.401 -11.814 -4.317 1.00 0.00 C ATOM 1528 NZ LYS A 115 3.797 -13.091 -4.969 1.00 0.00 N ATOM 0 H LYS A 115 -2.384 -9.927 -4.304 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.704 -11.972 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.175 -9.971 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.172 -8.970 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 115 2.113 -9.475 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 115 1.737 -10.294 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 115 1.406 -12.414 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 115 1.548 -11.636 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 115 3.895 -10.982 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.746 -11.813 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 4.831 -13.197 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 3.347 -13.887 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 3.491 -13.083 -5.963 1.00 0.00 H new ATOM 1542 N LEU A 116 -1.060 -9.824 -1.095 1.00 0.00 N ATOM 1543 CA LEU A 116 -0.835 -9.657 0.341 1.00 0.00 C ATOM 1544 C LEU A 116 -1.791 -10.512 1.167 1.00 0.00 C ATOM 1545 O LEU A 116 -1.440 -10.970 2.253 1.00 0.00 O ATOM 1546 CB LEU A 116 -0.986 -8.194 0.733 1.00 0.00 C ATOM 1547 CG LEU A 116 -0.060 -7.227 -0.003 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -0.445 -5.790 0.301 1.00 0.00 C ATOM 1549 CD2 LEU A 116 1.386 -7.484 0.390 1.00 0.00 C ATOM 0 H LEU A 116 -1.515 -9.031 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 116 0.182 -9.988 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.018 -7.891 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.806 -8.100 1.804 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.164 -7.392 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.224 -5.114 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.471 -5.612 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.365 -5.611 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.036 -6.789 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.502 -7.341 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.658 -8.507 0.129 1.00 0.00 H new ATOM 1561 N ALA A 117 -3.001 -10.713 0.655 1.00 0.00 N ATOM 1562 CA ALA A 117 -3.982 -11.564 1.322 1.00 0.00 C ATOM 1563 C ALA A 117 -3.485 -13.001 1.382 1.00 0.00 C ATOM 1564 O ALA A 117 -3.644 -13.690 2.390 1.00 0.00 O ATOM 1565 CB ALA A 117 -5.320 -11.497 0.602 1.00 0.00 C ATOM 0 H ALA A 117 -3.326 -10.299 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.118 -11.201 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.040 -12.137 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.683 -10.469 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.197 -11.837 -0.426 1.00 0.00 H new ATOM 1571 N LYS A 118 -2.877 -13.441 0.291 1.00 0.00 N ATOM 1572 CA LYS A 118 -2.314 -14.779 0.206 1.00 0.00 C ATOM 1573 C LYS A 118 -0.931 -14.817 0.851 1.00 0.00 C ATOM 1574 O LYS A 118 -0.420 -15.882 1.194 1.00 0.00 O ATOM 1575 CB LYS A 118 -2.254 -15.218 -1.258 1.00 0.00 C ATOM 1576 CG LYS A 118 -3.630 -15.267 -1.904 1.00 0.00 C ATOM 1577 CD LYS A 118 -3.553 -15.416 -3.415 1.00 0.00 C ATOM 1578 CE LYS A 118 -4.942 -15.455 -4.032 1.00 0.00 C ATOM 1579 NZ LYS A 118 -4.899 -15.497 -5.517 1.00 0.00 N ATOM 0 H LYS A 118 -2.760 -12.884 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.952 -15.475 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.618 -14.530 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.791 -16.203 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.195 -16.101 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.177 -14.357 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.987 -14.585 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.014 -16.329 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.477 -16.329 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.504 -14.578 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.869 -15.523 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.412 -14.650 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.386 -16.347 -5.826 1.00 0.00 H new ATOM 1593 N LEU A 119 -0.340 -13.638 1.025 1.00 0.00 N ATOM 1594 CA LEU A 119 0.932 -13.491 1.734 1.00 0.00 C ATOM 1595 C LEU A 119 0.687 -13.161 3.199 1.00 0.00 C ATOM 1596 O LEU A 119 1.513 -12.491 3.821 1.00 0.00 O ATOM 1597 CB LEU A 119 1.780 -12.376 1.109 1.00 0.00 C ATOM 1598 CG LEU A 119 2.735 -12.810 -0.001 1.00 0.00 C ATOM 1599 CD1 LEU A 119 3.412 -11.594 -0.610 1.00 0.00 C ATOM 1600 CD2 LEU A 119 3.775 -13.777 0.543 1.00 0.00 C ATOM 0 H LEU A 119 -0.726 -12.759 0.681 1.00 0.00 H new ATOM 0 HA LEU A 119 1.467 -14.437 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.109 -11.616 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.363 -11.902 1.899 1.00 0.00 H new ATOM 0 HG LEU A 119 2.163 -13.319 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 119 4.091 -11.913 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 119 2.657 -10.928 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.975 -11.067 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.448 -14.077 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.347 -13.290 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.276 -14.658 0.947 1.00 0.00 H new ATOM 1612 N GLU A 120 -0.445 -13.657 3.727 1.00 0.00 N ATOM 1613 CA GLU A 120 -0.921 -13.336 5.080 1.00 0.00 C ATOM 1614 C GLU A 120 0.224 -13.112 6.060 1.00 0.00 C ATOM 1615 O GLU A 120 0.922 -14.049 6.459 1.00 0.00 O ATOM 1616 CB GLU A 120 -1.842 -14.440 5.610 1.00 0.00 C ATOM 1617 CG GLU A 120 -2.376 -14.159 7.009 1.00 0.00 C ATOM 1618 CD GLU A 120 -3.320 -15.230 7.516 1.00 0.00 C ATOM 1619 OE1 GLU A 120 -4.524 -15.174 7.183 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -2.870 -16.125 8.261 1.00 0.00 O ATOM 0 H GLU A 120 -1.059 -14.296 3.222 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.480 -12.403 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.682 -14.563 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.298 -15.384 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.537 -14.067 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.893 -13.200 7.007 1.00 0.00 H new