USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 180:sc= -0.561 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 150:sc= -0.952 (180deg=-2.44!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -0.151 (180deg=-0.418) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 59:sc= -0.383 USER MOD Single : A 23 SER OG : rot 113:sc= 0.986 USER MOD Single : A 25 SER OG : rot -97:sc= -2.28! USER MOD Single : A 28 ASN : amide:sc= -2.24! C(o=-2.2!,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -4.96! C(o=-7.5!,f=-5!) USER MOD Single : A 43 SER OG : rot 110:sc= -1.66! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 47:sc= -6.73! USER MOD Single : A 61 HIS :FLIP no HE2:sc= -2.22! C(o=-4.2!,f=-2.2!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -121:sc= -2.42! (180deg=-4.82!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 105:sc= -0.834! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -138:sc= -0.0875 (180deg=-0.744) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -14.769 -4.290 18.320 1.00 0.00 N ATOM 2 CA PRO A 6 -13.786 -3.264 18.746 1.00 0.00 C ATOM 3 C PRO A 6 -12.965 -2.780 17.551 1.00 0.00 C ATOM 4 O PRO A 6 -13.282 -3.058 16.412 1.00 0.00 O ATOM 5 CB PRO A 6 -12.906 -4.004 19.748 1.00 0.00 C ATOM 6 CG PRO A 6 -13.031 -5.447 19.377 1.00 0.00 C ATOM 7 CD PRO A 6 -14.406 -5.632 18.791 1.00 0.00 C ATOM 0 HA PRO A 6 -14.252 -2.375 19.172 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.871 -3.669 19.688 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.239 -3.829 20.771 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.263 -5.728 18.656 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.895 -6.083 20.251 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.399 -6.354 17.975 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.112 -5.999 19.536 1.00 0.00 H new ATOM 15 N TRP A 7 -11.908 -2.059 17.804 1.00 0.00 N ATOM 16 CA TRP A 7 -11.068 -1.561 16.685 1.00 0.00 C ATOM 17 C TRP A 7 -10.262 -2.714 16.083 1.00 0.00 C ATOM 18 O TRP A 7 -9.563 -3.426 16.775 1.00 0.00 O ATOM 19 CB TRP A 7 -10.137 -0.526 17.312 1.00 0.00 C ATOM 20 CG TRP A 7 -9.352 0.136 16.231 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.705 0.154 14.929 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.097 0.868 16.327 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.747 0.845 14.215 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.734 1.308 15.033 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.245 1.187 17.401 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.567 2.039 14.810 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.070 1.924 17.180 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.732 2.350 15.888 1.00 0.00 C ATOM 0 H TRP A 7 -11.592 -1.795 18.737 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.664 -1.132 15.880 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.715 0.214 17.866 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.466 -1.005 18.025 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.593 -0.299 14.513 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.782 0.996 13.207 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.496 0.863 18.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.310 2.362 13.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.423 2.164 18.011 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.828 2.918 15.725 1.00 0.00 H new ATOM 39 N ALA A 8 -10.361 -2.900 14.798 1.00 0.00 N ATOM 40 CA ALA A 8 -9.609 -4.004 14.141 1.00 0.00 C ATOM 41 C ALA A 8 -8.156 -3.995 14.607 1.00 0.00 C ATOM 42 O ALA A 8 -7.485 -5.008 14.603 1.00 0.00 O ATOM 43 CB ALA A 8 -9.695 -3.704 12.646 1.00 0.00 C ATOM 0 H ALA A 8 -10.932 -2.333 14.172 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.016 -4.986 14.383 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.163 -4.475 12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.740 -3.690 12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.243 -2.733 12.443 1.00 0.00 H new ATOM 49 N VAL A 9 -7.666 -2.859 15.014 1.00 0.00 N ATOM 50 CA VAL A 9 -6.254 -2.789 15.486 1.00 0.00 C ATOM 51 C VAL A 9 -6.188 -3.083 16.987 1.00 0.00 C ATOM 52 O VAL A 9 -7.091 -2.762 17.734 1.00 0.00 O ATOM 53 CB VAL A 9 -5.804 -1.360 15.195 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.458 -1.097 15.874 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.658 -1.169 13.683 1.00 0.00 C ATOM 0 H VAL A 9 -8.179 -1.978 15.041 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.615 -3.520 14.990 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.547 -0.661 15.581 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.138 -0.076 15.665 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.561 -1.232 16.951 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.714 -1.796 15.491 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.337 -0.149 13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.916 -1.869 13.298 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.617 -1.353 13.199 1.00 0.00 H new ATOM 65 N LYS A 10 -5.127 -3.695 17.433 1.00 0.00 N ATOM 66 CA LYS A 10 -5.002 -4.013 18.881 1.00 0.00 C ATOM 67 C LYS A 10 -4.108 -2.977 19.565 1.00 0.00 C ATOM 68 O LYS A 10 -3.432 -2.214 18.905 1.00 0.00 O ATOM 69 CB LYS A 10 -4.345 -5.395 18.915 1.00 0.00 C ATOM 70 CG LYS A 10 -5.330 -6.445 18.395 1.00 0.00 C ATOM 71 CD LYS A 10 -4.721 -7.839 18.557 1.00 0.00 C ATOM 72 CE LYS A 10 -5.548 -8.854 17.763 1.00 0.00 C ATOM 73 NZ LYS A 10 -4.543 -9.694 17.054 1.00 0.00 N ATOM 0 H LYS A 10 -4.340 -3.989 16.855 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.960 -4.001 19.400 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.442 -5.395 18.304 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.041 -5.639 19.933 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.270 -6.381 18.944 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.560 -6.256 17.346 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.689 -7.840 18.205 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.698 -8.117 19.611 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.173 -9.457 18.422 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.215 -8.356 17.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.032 -10.416 16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.967 -9.094 16.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.927 -10.160 17.750 1.00 0.00 H new ATOM 87 N PRO A 11 -4.125 -2.989 20.870 1.00 0.00 N ATOM 88 CA PRO A 11 -3.290 -2.038 21.644 1.00 0.00 C ATOM 89 C PRO A 11 -1.813 -2.376 21.453 1.00 0.00 C ATOM 90 O PRO A 11 -0.963 -1.506 21.417 1.00 0.00 O ATOM 91 CB PRO A 11 -3.730 -2.268 23.087 1.00 0.00 C ATOM 92 CG PRO A 11 -4.287 -3.654 23.099 1.00 0.00 C ATOM 93 CD PRO A 11 -4.902 -3.876 21.743 1.00 0.00 C ATOM 0 HA PRO A 11 -3.409 -0.999 21.338 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.891 -2.173 23.776 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.479 -1.538 23.393 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.503 -4.386 23.295 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.032 -3.766 23.887 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.823 -4.917 21.431 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.962 -3.621 21.735 1.00 0.00 H new ATOM 101 N GLU A 12 -1.506 -3.634 21.315 1.00 0.00 N ATOM 102 CA GLU A 12 -0.087 -4.040 21.109 1.00 0.00 C ATOM 103 C GLU A 12 0.323 -3.749 19.665 1.00 0.00 C ATOM 104 O GLU A 12 1.483 -3.563 19.361 1.00 0.00 O ATOM 105 CB GLU A 12 -0.057 -5.541 21.386 1.00 0.00 C ATOM 106 CG GLU A 12 -1.029 -6.257 20.445 1.00 0.00 C ATOM 107 CD GLU A 12 -0.356 -7.504 19.872 1.00 0.00 C ATOM 108 OE1 GLU A 12 0.831 -7.440 19.596 1.00 0.00 O ATOM 109 OE2 GLU A 12 -1.039 -8.504 19.719 1.00 0.00 O ATOM 0 H GLU A 12 -2.177 -4.402 21.336 1.00 0.00 H new ATOM 0 HA GLU A 12 0.603 -3.500 21.757 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.953 -5.927 21.245 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.330 -5.735 22.423 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.935 -6.534 20.983 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.329 -5.589 19.638 1.00 0.00 H new ATOM 116 N ASP A 13 -0.630 -3.693 18.776 1.00 0.00 N ATOM 117 CA ASP A 13 -0.306 -3.395 17.358 1.00 0.00 C ATOM 118 C ASP A 13 -0.135 -1.889 17.207 1.00 0.00 C ATOM 119 O ASP A 13 0.736 -1.413 16.507 1.00 0.00 O ATOM 120 CB ASP A 13 -1.507 -3.900 16.556 1.00 0.00 C ATOM 121 CG ASP A 13 -1.196 -5.289 15.996 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.940 -6.181 16.788 1.00 0.00 O ATOM 123 OD2 ASP A 13 -1.216 -5.437 14.785 1.00 0.00 O ATOM 0 H ASP A 13 -1.620 -3.841 18.973 1.00 0.00 H new ATOM 0 HA ASP A 13 0.614 -3.868 17.015 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.391 -3.942 17.192 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.731 -3.210 15.743 1.00 0.00 H new ATOM 128 N LYS A 14 -0.954 -1.135 17.885 1.00 0.00 N ATOM 129 CA LYS A 14 -0.832 0.343 17.812 1.00 0.00 C ATOM 130 C LYS A 14 0.503 0.759 18.426 1.00 0.00 C ATOM 131 O LYS A 14 1.018 1.830 18.168 1.00 0.00 O ATOM 132 CB LYS A 14 -1.998 0.888 18.637 1.00 0.00 C ATOM 133 CG LYS A 14 -1.857 2.405 18.779 1.00 0.00 C ATOM 134 CD LYS A 14 -2.030 3.066 17.411 1.00 0.00 C ATOM 135 CE LYS A 14 -2.318 4.557 17.596 1.00 0.00 C ATOM 136 NZ LYS A 14 -1.076 5.121 18.192 1.00 0.00 N ATOM 0 H LYS A 14 -1.702 -1.481 18.486 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.862 0.721 16.790 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.944 0.644 18.155 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.011 0.420 19.621 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.604 2.786 19.475 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.879 2.652 19.193 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.128 2.931 16.813 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.847 2.592 16.867 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.551 5.035 16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.176 4.715 18.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.117 6.160 18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.992 4.807 19.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.251 4.790 17.652 1.00 0.00 H new ATOM 150 N ALA A 15 1.077 -0.101 19.224 1.00 0.00 N ATOM 151 CA ALA A 15 2.391 0.216 19.845 1.00 0.00 C ATOM 152 C ALA A 15 3.475 0.086 18.782 1.00 0.00 C ATOM 153 O ALA A 15 4.335 0.934 18.643 1.00 0.00 O ATOM 154 CB ALA A 15 2.581 -0.831 20.944 1.00 0.00 C ATOM 0 H ALA A 15 0.690 -1.011 19.472 1.00 0.00 H new ATOM 0 HA ALA A 15 2.440 1.226 20.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.532 -0.661 21.448 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.768 -0.752 21.666 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.578 -1.827 20.502 1.00 0.00 H new ATOM 160 N LYS A 16 3.418 -0.961 18.005 1.00 0.00 N ATOM 161 CA LYS A 16 4.420 -1.136 16.926 1.00 0.00 C ATOM 162 C LYS A 16 4.043 -0.206 15.771 1.00 0.00 C ATOM 163 O LYS A 16 4.857 0.135 14.935 1.00 0.00 O ATOM 164 CB LYS A 16 4.341 -2.621 16.548 1.00 0.00 C ATOM 165 CG LYS A 16 3.403 -2.824 15.360 1.00 0.00 C ATOM 166 CD LYS A 16 3.379 -4.306 14.974 1.00 0.00 C ATOM 167 CE LYS A 16 2.180 -4.990 15.634 1.00 0.00 C ATOM 168 NZ LYS A 16 2.300 -6.426 15.253 1.00 0.00 N ATOM 0 H LYS A 16 2.719 -1.701 18.074 1.00 0.00 H new ATOM 0 HA LYS A 16 5.441 -0.882 17.213 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.336 -2.992 16.301 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.987 -3.201 17.401 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.398 -2.488 15.615 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.735 -2.222 14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.318 -4.409 13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.304 -4.789 15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.201 -4.865 16.717 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.240 -4.565 15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.512 -6.962 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.271 -6.514 14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.201 -6.805 15.607 1.00 0.00 H new ATOM 182 N TYR A 17 2.811 0.228 15.746 1.00 0.00 N ATOM 183 CA TYR A 17 2.368 1.164 14.678 1.00 0.00 C ATOM 184 C TYR A 17 2.829 2.567 15.057 1.00 0.00 C ATOM 185 O TYR A 17 3.152 3.382 14.219 1.00 0.00 O ATOM 186 CB TYR A 17 0.837 1.105 14.681 1.00 0.00 C ATOM 187 CG TYR A 17 0.347 -0.233 14.169 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.240 -1.295 13.986 1.00 0.00 C ATOM 189 CD2 TYR A 17 -1.014 -0.407 13.885 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.774 -2.529 13.522 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.481 -1.641 13.420 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.587 -2.704 13.239 1.00 0.00 C ATOM 193 OH TYR A 17 -1.047 -3.922 12.781 1.00 0.00 O ATOM 0 H TYR A 17 2.092 -0.028 16.423 1.00 0.00 H new ATOM 0 HA TYR A 17 2.772 0.909 13.698 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.465 1.271 15.692 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.437 1.906 14.059 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.289 -1.161 14.203 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.703 0.412 14.025 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.464 -3.348 13.382 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.530 -1.774 13.201 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.845 -4.617 13.441 1.00 0.00 H new ATOM 203 N ASP A 18 2.854 2.842 16.334 1.00 0.00 N ATOM 204 CA ASP A 18 3.288 4.188 16.810 1.00 0.00 C ATOM 205 C ASP A 18 4.814 4.282 16.804 1.00 0.00 C ATOM 206 O ASP A 18 5.380 5.346 16.952 1.00 0.00 O ATOM 207 CB ASP A 18 2.748 4.293 18.235 1.00 0.00 C ATOM 208 CG ASP A 18 3.229 5.598 18.874 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.135 6.624 18.222 1.00 0.00 O ATOM 210 OD2 ASP A 18 3.680 5.548 20.007 1.00 0.00 O ATOM 0 H ASP A 18 2.591 2.189 17.072 1.00 0.00 H new ATOM 0 HA ASP A 18 2.919 4.993 16.174 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.658 4.262 18.225 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.086 3.441 18.826 1.00 0.00 H new ATOM 215 N ALA A 19 5.482 3.181 16.605 1.00 0.00 N ATOM 216 CA ALA A 19 6.969 3.217 16.555 1.00 0.00 C ATOM 217 C ALA A 19 7.363 3.330 15.095 1.00 0.00 C ATOM 218 O ALA A 19 8.341 3.955 14.735 1.00 0.00 O ATOM 219 CB ALA A 19 7.436 1.888 17.147 1.00 0.00 C ATOM 0 H ALA A 19 5.064 2.260 16.475 1.00 0.00 H new ATOM 0 HA ALA A 19 7.409 4.049 17.105 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.525 1.849 17.140 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.076 1.800 18.172 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.040 1.065 16.552 1.00 0.00 H new ATOM 225 N ILE A 20 6.560 2.754 14.251 1.00 0.00 N ATOM 226 CA ILE A 20 6.807 2.835 12.800 1.00 0.00 C ATOM 227 C ILE A 20 6.294 4.189 12.320 1.00 0.00 C ATOM 228 O ILE A 20 6.839 4.800 11.424 1.00 0.00 O ATOM 229 CB ILE A 20 5.971 1.703 12.217 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.616 0.357 12.544 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.880 1.873 10.713 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.599 -0.759 12.303 1.00 0.00 C ATOM 0 H ILE A 20 5.730 2.223 14.515 1.00 0.00 H new ATOM 0 HA ILE A 20 7.855 2.746 12.514 1.00 0.00 H new ATOM 0 HB ILE A 20 4.971 1.731 12.651 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.498 0.202 11.922 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.951 0.343 13.581 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.282 1.065 10.291 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.411 2.830 10.483 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.881 1.847 10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.054 -1.722 12.535 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.731 -0.604 12.943 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.287 -0.747 11.259 1.00 0.00 H new ATOM 244 N PHE A 21 5.250 4.669 12.947 1.00 0.00 N ATOM 245 CA PHE A 21 4.691 5.996 12.577 1.00 0.00 C ATOM 246 C PHE A 21 5.660 7.084 13.047 1.00 0.00 C ATOM 247 O PHE A 21 5.889 8.068 12.372 1.00 0.00 O ATOM 248 CB PHE A 21 3.347 6.073 13.319 1.00 0.00 C ATOM 249 CG PHE A 21 3.050 7.497 13.733 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.712 8.053 14.833 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.116 8.257 13.019 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.441 9.368 15.222 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.844 9.574 13.410 1.00 0.00 C ATOM 254 CZ PHE A 21 2.507 10.129 14.510 1.00 0.00 C ATOM 0 H PHE A 21 4.760 4.192 13.704 1.00 0.00 H new ATOM 0 HA PHE A 21 4.552 6.132 11.504 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.549 5.701 12.677 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.374 5.430 14.199 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.433 7.466 15.382 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.606 7.829 12.169 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.952 9.796 16.071 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.122 10.162 12.862 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.298 11.145 14.810 1.00 0.00 H new ATOM 264 N ASP A 22 6.235 6.898 14.202 1.00 0.00 N ATOM 265 CA ASP A 22 7.199 7.899 14.731 1.00 0.00 C ATOM 266 C ASP A 22 8.611 7.564 14.242 1.00 0.00 C ATOM 267 O ASP A 22 9.567 8.249 14.550 1.00 0.00 O ATOM 268 CB ASP A 22 7.107 7.775 16.250 1.00 0.00 C ATOM 269 CG ASP A 22 8.192 8.636 16.900 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.593 9.612 16.287 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.604 8.305 18.000 1.00 0.00 O ATOM 0 H ASP A 22 6.077 6.091 14.805 1.00 0.00 H new ATOM 0 HA ASP A 22 6.977 8.913 14.398 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.122 8.093 16.592 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.227 6.734 16.548 1.00 0.00 H new ATOM 276 N SER A 23 8.743 6.525 13.461 1.00 0.00 N ATOM 277 CA SER A 23 10.083 6.157 12.925 1.00 0.00 C ATOM 278 C SER A 23 10.254 6.807 11.552 1.00 0.00 C ATOM 279 O SER A 23 11.269 6.669 10.900 1.00 0.00 O ATOM 280 CB SER A 23 10.064 4.633 12.808 1.00 0.00 C ATOM 281 OG SER A 23 10.608 4.064 13.993 1.00 0.00 O ATOM 0 H SER A 23 7.978 5.915 13.171 1.00 0.00 H new ATOM 0 HA SER A 23 10.906 6.491 13.557 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.043 4.281 12.657 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.642 4.316 11.940 1.00 0.00 H new ATOM 0 HG SER A 23 9.903 3.590 14.482 1.00 0.00 H new ATOM 287 N LEU A 24 9.255 7.529 11.126 1.00 0.00 N ATOM 288 CA LEU A 24 9.315 8.221 9.810 1.00 0.00 C ATOM 289 C LEU A 24 9.404 9.728 10.050 1.00 0.00 C ATOM 290 O LEU A 24 9.527 10.507 9.125 1.00 0.00 O ATOM 291 CB LEU A 24 7.991 7.896 9.092 1.00 0.00 C ATOM 292 CG LEU A 24 7.338 6.634 9.664 1.00 0.00 C ATOM 293 CD1 LEU A 24 5.953 6.449 9.040 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.201 5.420 9.334 1.00 0.00 C ATOM 0 H LEU A 24 8.387 7.670 11.643 1.00 0.00 H new ATOM 0 HA LEU A 24 10.176 7.904 9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.306 8.738 9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.177 7.760 8.027 1.00 0.00 H new ATOM 0 HG LEU A 24 7.244 6.735 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.488 5.551 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.332 7.315 9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.051 6.349 7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.736 4.522 9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.293 5.322 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.191 5.547 9.773 1.00 0.00 H new ATOM 306 N SER A 25 9.310 10.136 11.295 1.00 0.00 N ATOM 307 CA SER A 25 9.350 11.590 11.646 1.00 0.00 C ATOM 308 C SER A 25 7.958 12.186 11.434 1.00 0.00 C ATOM 309 O SER A 25 7.631 12.681 10.374 1.00 0.00 O ATOM 310 CB SER A 25 10.399 12.235 10.729 1.00 0.00 C ATOM 311 OG SER A 25 9.766 12.787 9.584 1.00 0.00 O ATOM 0 H SER A 25 9.206 9.511 12.094 1.00 0.00 H new ATOM 0 HA SER A 25 9.622 11.764 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.937 13.014 11.269 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.136 11.491 10.425 1.00 0.00 H new ATOM 0 HG SER A 25 9.824 12.152 8.840 1.00 0.00 H new ATOM 317 N PRO A 26 7.172 12.086 12.468 1.00 0.00 N ATOM 318 CA PRO A 26 5.778 12.585 12.427 1.00 0.00 C ATOM 319 C PRO A 26 5.747 14.110 12.425 1.00 0.00 C ATOM 320 O PRO A 26 6.582 14.765 13.018 1.00 0.00 O ATOM 321 CB PRO A 26 5.163 12.039 13.711 1.00 0.00 C ATOM 322 CG PRO A 26 6.322 11.841 14.631 1.00 0.00 C ATOM 323 CD PRO A 26 7.511 11.506 13.769 1.00 0.00 C ATOM 0 HA PRO A 26 5.244 12.270 11.530 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.438 12.737 14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.636 11.102 13.531 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.510 12.742 15.215 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.120 11.038 15.340 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.430 11.933 14.171 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.664 10.429 13.699 1.00 0.00 H new ATOM 331 N VAL A 27 4.779 14.673 11.769 1.00 0.00 N ATOM 332 CA VAL A 27 4.664 16.156 11.725 1.00 0.00 C ATOM 333 C VAL A 27 3.357 16.580 12.397 1.00 0.00 C ATOM 334 O VAL A 27 2.286 16.417 11.847 1.00 0.00 O ATOM 335 CB VAL A 27 4.651 16.504 10.238 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.497 18.016 10.067 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.966 16.048 9.602 1.00 0.00 C ATOM 0 H VAL A 27 4.056 14.168 11.257 1.00 0.00 H new ATOM 0 HA VAL A 27 5.476 16.664 12.246 1.00 0.00 H new ATOM 0 HB VAL A 27 3.816 16.000 9.752 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.488 18.263 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.562 18.340 10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.332 18.524 10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.961 16.294 8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.800 16.554 10.088 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.075 14.970 9.724 1.00 0.00 H new ATOM 347 N ASN A 28 3.434 17.100 13.591 1.00 0.00 N ATOM 348 CA ASN A 28 2.191 17.510 14.303 1.00 0.00 C ATOM 349 C ASN A 28 1.249 16.309 14.421 1.00 0.00 C ATOM 350 O ASN A 28 0.049 16.454 14.547 1.00 0.00 O ATOM 351 CB ASN A 28 1.566 18.605 13.434 1.00 0.00 C ATOM 352 CG ASN A 28 0.180 18.958 13.979 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.064 19.623 14.989 1.00 0.00 O ATOM 354 ND2 ASN A 28 -0.883 18.536 13.351 1.00 0.00 N ATOM 0 H ASN A 28 4.302 17.258 14.103 1.00 0.00 H new ATOM 0 HA ASN A 28 2.388 17.869 15.313 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.203 19.489 13.430 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.487 18.264 12.402 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.811 18.765 13.708 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.786 17.978 12.503 1.00 0.00 H new ATOM 361 N GLY A 29 1.789 15.119 14.379 1.00 0.00 N ATOM 362 CA GLY A 29 0.934 13.904 14.486 1.00 0.00 C ATOM 363 C GLY A 29 0.494 13.466 13.086 1.00 0.00 C ATOM 364 O GLY A 29 -0.632 13.059 12.879 1.00 0.00 O ATOM 0 H GLY A 29 2.787 14.938 14.275 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.485 13.100 14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.061 14.113 15.104 1.00 0.00 H new ATOM 368 N PHE A 30 1.368 13.557 12.121 1.00 0.00 N ATOM 369 CA PHE A 30 0.991 13.155 10.735 1.00 0.00 C ATOM 370 C PHE A 30 2.199 12.643 9.949 1.00 0.00 C ATOM 371 O PHE A 30 3.331 12.984 10.228 1.00 0.00 O ATOM 372 CB PHE A 30 0.460 14.433 10.096 1.00 0.00 C ATOM 373 CG PHE A 30 -0.853 14.779 10.735 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.027 14.189 10.267 1.00 0.00 C ATOM 375 CD2 PHE A 30 -0.893 15.683 11.800 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.252 14.504 10.864 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.114 16.000 12.398 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.297 15.410 11.931 1.00 0.00 C ATOM 0 H PHE A 30 2.325 13.892 12.231 1.00 0.00 H new ATOM 0 HA PHE A 30 0.263 12.344 10.739 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.172 15.247 10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.333 14.295 9.022 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.990 13.490 9.445 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.019 16.136 12.160 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.162 14.049 10.503 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.147 16.700 13.220 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.242 15.654 12.394 1.00 0.00 H new ATOM 388 N LEU A 31 1.949 11.848 8.946 1.00 0.00 N ATOM 389 CA LEU A 31 3.061 11.326 8.101 1.00 0.00 C ATOM 390 C LEU A 31 2.730 11.592 6.635 1.00 0.00 C ATOM 391 O LEU A 31 1.620 11.385 6.199 1.00 0.00 O ATOM 392 CB LEU A 31 3.131 9.822 8.370 1.00 0.00 C ATOM 393 CG LEU A 31 3.686 9.579 9.771 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.465 8.116 10.157 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.182 9.890 9.777 1.00 0.00 C ATOM 0 H LEU A 31 1.017 11.535 8.673 1.00 0.00 H new ATOM 0 HA LEU A 31 4.014 11.803 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.139 9.379 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.766 9.338 7.627 1.00 0.00 H new ATOM 0 HG LEU A 31 3.176 10.223 10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.861 7.940 11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.398 7.894 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.979 7.470 9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.585 9.719 10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.691 9.242 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.338 10.932 9.497 1.00 0.00 H new ATOM 407 N SER A 32 3.678 12.064 5.879 1.00 0.00 N ATOM 408 CA SER A 32 3.407 12.361 4.443 1.00 0.00 C ATOM 409 C SER A 32 3.460 11.094 3.602 1.00 0.00 C ATOM 410 O SER A 32 4.281 10.226 3.816 1.00 0.00 O ATOM 411 CB SER A 32 4.515 13.323 4.020 1.00 0.00 C ATOM 412 OG SER A 32 5.674 12.578 3.666 1.00 0.00 O ATOM 0 H SER A 32 4.630 12.258 6.191 1.00 0.00 H new ATOM 0 HA SER A 32 2.413 12.785 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.185 13.927 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.745 14.011 4.833 1.00 0.00 H new ATOM 0 HG SER A 32 6.387 13.192 3.392 1.00 0.00 H new ATOM 418 N GLY A 33 2.594 10.987 2.636 1.00 0.00 N ATOM 419 CA GLY A 33 2.604 9.784 1.765 1.00 0.00 C ATOM 420 C GLY A 33 4.025 9.572 1.251 1.00 0.00 C ATOM 421 O GLY A 33 4.408 8.479 0.892 1.00 0.00 O ATOM 0 H GLY A 33 1.880 11.681 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.268 8.910 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.915 9.914 0.931 1.00 0.00 H new ATOM 425 N ASP A 34 4.819 10.612 1.232 1.00 0.00 N ATOM 426 CA ASP A 34 6.229 10.467 0.760 1.00 0.00 C ATOM 427 C ASP A 34 7.105 9.990 1.919 1.00 0.00 C ATOM 428 O ASP A 34 8.249 9.618 1.742 1.00 0.00 O ATOM 429 CB ASP A 34 6.639 11.868 0.309 1.00 0.00 C ATOM 430 CG ASP A 34 7.929 11.788 -0.510 1.00 0.00 C ATOM 431 OD1 ASP A 34 7.884 11.232 -1.595 1.00 0.00 O ATOM 432 OD2 ASP A 34 8.939 12.284 -0.038 1.00 0.00 O ATOM 0 H ASP A 34 4.553 11.553 1.522 1.00 0.00 H new ATOM 0 HA ASP A 34 6.335 9.741 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.845 12.315 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.787 12.511 1.176 1.00 0.00 H new ATOM 437 N LYS A 35 6.559 9.985 3.102 1.00 0.00 N ATOM 438 CA LYS A 35 7.313 9.524 4.293 1.00 0.00 C ATOM 439 C LYS A 35 6.945 8.072 4.560 1.00 0.00 C ATOM 440 O LYS A 35 7.778 7.229 4.825 1.00 0.00 O ATOM 441 CB LYS A 35 6.799 10.424 5.410 1.00 0.00 C ATOM 442 CG LYS A 35 7.322 9.940 6.758 1.00 0.00 C ATOM 443 CD LYS A 35 7.051 11.017 7.808 1.00 0.00 C ATOM 444 CE LYS A 35 7.662 12.338 7.341 1.00 0.00 C ATOM 445 NZ LYS A 35 6.498 13.221 7.048 1.00 0.00 N ATOM 0 H LYS A 35 5.604 10.287 3.294 1.00 0.00 H new ATOM 0 HA LYS A 35 8.397 9.577 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.118 11.451 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.709 10.425 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.833 9.007 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.391 9.734 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.978 11.132 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.479 10.723 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.301 12.771 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.281 12.195 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.762 14.212 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.215 13.105 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.702 12.963 7.666 1.00 0.00 H new ATOM 459 N VAL A 36 5.680 7.792 4.473 1.00 0.00 N ATOM 460 CA VAL A 36 5.182 6.408 4.697 1.00 0.00 C ATOM 461 C VAL A 36 5.420 5.550 3.454 1.00 0.00 C ATOM 462 O VAL A 36 5.645 4.360 3.540 1.00 0.00 O ATOM 463 CB VAL A 36 3.685 6.587 4.927 1.00 0.00 C ATOM 464 CG1 VAL A 36 3.028 5.215 5.091 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.467 7.433 6.181 1.00 0.00 C ATOM 0 H VAL A 36 4.955 8.475 4.252 1.00 0.00 H new ATOM 0 HA VAL A 36 5.684 5.911 5.527 1.00 0.00 H new ATOM 0 HB VAL A 36 3.235 7.093 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.958 5.341 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.189 4.624 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.468 4.701 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.398 7.564 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.911 6.931 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.936 8.408 6.048 1.00 0.00 H new ATOM 475 N LYS A 37 5.359 6.149 2.296 1.00 0.00 N ATOM 476 CA LYS A 37 5.566 5.376 1.037 1.00 0.00 C ATOM 477 C LYS A 37 6.692 4.352 1.205 1.00 0.00 C ATOM 478 O LYS A 37 6.494 3.178 0.966 1.00 0.00 O ATOM 479 CB LYS A 37 5.941 6.410 -0.024 1.00 0.00 C ATOM 480 CG LYS A 37 4.811 6.523 -1.049 1.00 0.00 C ATOM 481 CD LYS A 37 5.339 7.198 -2.316 1.00 0.00 C ATOM 482 CE LYS A 37 5.141 6.266 -3.513 1.00 0.00 C ATOM 483 NZ LYS A 37 6.204 6.654 -4.480 1.00 0.00 N ATOM 0 H LYS A 37 5.174 7.144 2.167 1.00 0.00 H new ATOM 0 HA LYS A 37 4.672 4.817 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.120 7.378 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.867 6.119 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.421 5.533 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.985 7.100 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.815 8.139 -2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.396 7.438 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.236 5.221 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.149 6.386 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.134 6.059 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.084 7.652 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.138 6.523 -4.041 1.00 0.00 H new ATOM 497 N PRO A 38 7.840 4.824 1.616 1.00 0.00 N ATOM 498 CA PRO A 38 9.000 3.915 1.816 1.00 0.00 C ATOM 499 C PRO A 38 8.688 2.914 2.925 1.00 0.00 C ATOM 500 O PRO A 38 9.181 1.803 2.940 1.00 0.00 O ATOM 501 CB PRO A 38 10.131 4.860 2.209 1.00 0.00 C ATOM 502 CG PRO A 38 9.445 6.070 2.748 1.00 0.00 C ATOM 503 CD PRO A 38 8.176 6.215 1.952 1.00 0.00 C ATOM 0 HA PRO A 38 9.251 3.321 0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.782 4.408 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.755 5.108 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.229 5.955 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.074 6.954 2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.387 6.692 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.326 6.822 1.059 1.00 0.00 H new ATOM 511 N VAL A 39 7.863 3.307 3.848 1.00 0.00 N ATOM 512 CA VAL A 39 7.490 2.396 4.967 1.00 0.00 C ATOM 513 C VAL A 39 6.422 1.398 4.505 1.00 0.00 C ATOM 514 O VAL A 39 6.138 0.421 5.169 1.00 0.00 O ATOM 515 CB VAL A 39 6.937 3.330 6.045 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.035 2.550 7.001 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.092 3.953 6.827 1.00 0.00 C ATOM 0 H VAL A 39 7.425 4.228 3.879 1.00 0.00 H new ATOM 0 HA VAL A 39 8.330 1.803 5.328 1.00 0.00 H new ATOM 0 HB VAL A 39 6.354 4.118 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.646 3.223 7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.205 2.115 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.610 1.755 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.695 4.618 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.679 3.165 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.727 4.521 6.147 1.00 0.00 H new ATOM 527 N LEU A 40 5.831 1.628 3.374 1.00 0.00 N ATOM 528 CA LEU A 40 4.801 0.677 2.878 1.00 0.00 C ATOM 529 C LEU A 40 5.437 -0.259 1.856 1.00 0.00 C ATOM 530 O LEU A 40 4.912 -1.309 1.540 1.00 0.00 O ATOM 531 CB LEU A 40 3.726 1.548 2.232 1.00 0.00 C ATOM 532 CG LEU A 40 2.936 2.265 3.326 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.918 3.208 2.687 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.200 1.236 4.186 1.00 0.00 C ATOM 0 H LEU A 40 6.013 2.430 2.770 1.00 0.00 H new ATOM 0 HA LEU A 40 4.379 0.057 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.184 2.275 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.058 0.934 1.628 1.00 0.00 H new ATOM 0 HG LEU A 40 3.623 2.837 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.355 3.719 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.438 3.944 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.233 2.635 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.637 1.749 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.515 0.663 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.923 0.561 4.645 1.00 0.00 H new ATOM 546 N LEU A 41 6.579 0.112 1.344 1.00 0.00 N ATOM 547 CA LEU A 41 7.268 -0.751 0.349 1.00 0.00 C ATOM 548 C LEU A 41 8.179 -1.744 1.061 1.00 0.00 C ATOM 549 O LEU A 41 8.368 -2.857 0.611 1.00 0.00 O ATOM 550 CB LEU A 41 8.091 0.205 -0.500 1.00 0.00 C ATOM 551 CG LEU A 41 7.153 1.062 -1.340 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.594 2.519 -1.249 1.00 0.00 C ATOM 553 CD2 LEU A 41 7.209 0.589 -2.792 1.00 0.00 C ATOM 0 H LEU A 41 7.064 0.979 1.574 1.00 0.00 H new ATOM 0 HA LEU A 41 6.567 -1.330 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.708 0.838 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.769 -0.354 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 41 6.131 0.972 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.927 3.139 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.558 2.846 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.613 2.615 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.540 1.198 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.228 0.685 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.899 -0.455 -2.847 1.00 0.00 H new ATOM 565 N ASN A 42 8.740 -1.364 2.180 1.00 0.00 N ATOM 566 CA ASN A 42 9.621 -2.319 2.900 1.00 0.00 C ATOM 567 C ASN A 42 8.773 -3.482 3.428 1.00 0.00 C ATOM 568 O ASN A 42 9.284 -4.473 3.909 1.00 0.00 O ATOM 569 CB ASN A 42 10.251 -1.524 4.046 1.00 0.00 C ATOM 570 CG ASN A 42 9.214 -1.299 5.137 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.399 -0.297 5.024 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 9.146 -2.041 6.096 1.00 0.00 N flip ATOM 0 H ASN A 42 8.627 -0.449 2.617 1.00 0.00 H new ATOM 0 HA ASN A 42 10.394 -2.744 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.108 -2.064 4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.621 -0.567 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.790 -2.828 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.445 -1.878 6.818 1.00 0.00 H new ATOM 579 N SER A 43 7.471 -3.367 3.320 1.00 0.00 N ATOM 580 CA SER A 43 6.569 -4.457 3.788 1.00 0.00 C ATOM 581 C SER A 43 6.554 -5.599 2.763 1.00 0.00 C ATOM 582 O SER A 43 5.780 -6.528 2.869 1.00 0.00 O ATOM 583 CB SER A 43 5.192 -3.806 3.877 1.00 0.00 C ATOM 584 OG SER A 43 5.253 -2.703 4.771 1.00 0.00 O ATOM 0 H SER A 43 6.995 -2.557 2.924 1.00 0.00 H new ATOM 0 HA SER A 43 6.885 -4.884 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.870 -3.472 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.456 -4.531 4.225 1.00 0.00 H new ATOM 0 HG SER A 43 5.167 -1.868 4.266 1.00 0.00 H new ATOM 590 N LYS A 44 7.396 -5.530 1.764 1.00 0.00 N ATOM 591 CA LYS A 44 7.419 -6.605 0.731 1.00 0.00 C ATOM 592 C LYS A 44 6.098 -6.605 -0.037 1.00 0.00 C ATOM 593 O LYS A 44 5.757 -7.555 -0.713 1.00 0.00 O ATOM 594 CB LYS A 44 7.592 -7.910 1.510 1.00 0.00 C ATOM 595 CG LYS A 44 8.933 -8.551 1.145 1.00 0.00 C ATOM 596 CD LYS A 44 8.777 -9.372 -0.138 1.00 0.00 C ATOM 597 CE LYS A 44 9.802 -8.900 -1.172 1.00 0.00 C ATOM 598 NZ LYS A 44 9.215 -9.265 -2.491 1.00 0.00 N ATOM 0 H LYS A 44 8.068 -4.776 1.620 1.00 0.00 H new ATOM 0 HA LYS A 44 8.218 -6.467 0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.551 -7.714 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.775 -8.594 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.690 -7.780 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.275 -9.190 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.921 -10.431 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.767 -9.261 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.970 -7.826 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.767 -9.385 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.861 -8.973 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.072 -10.294 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.301 -8.783 -2.609 1.00 0.00 H new ATOM 612 N LEU A 45 5.350 -5.542 0.069 1.00 0.00 N ATOM 613 CA LEU A 45 4.048 -5.471 -0.646 1.00 0.00 C ATOM 614 C LEU A 45 4.181 -4.648 -1.925 1.00 0.00 C ATOM 615 O LEU A 45 4.996 -3.750 -2.006 1.00 0.00 O ATOM 616 CB LEU A 45 3.104 -4.767 0.324 1.00 0.00 C ATOM 617 CG LEU A 45 2.487 -5.788 1.273 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.665 -5.054 2.335 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.576 -6.730 0.480 1.00 0.00 C ATOM 0 H LEU A 45 5.586 -4.718 0.622 1.00 0.00 H new ATOM 0 HA LEU A 45 3.691 -6.459 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.647 -4.011 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.320 -4.249 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 45 3.274 -6.367 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.221 -5.779 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.313 -4.379 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.875 -4.480 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.133 -7.462 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.785 -6.153 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.161 -7.246 -0.281 1.00 0.00 H new ATOM 631 N PRO A 46 3.357 -4.974 -2.877 1.00 0.00 N ATOM 632 CA PRO A 46 3.360 -4.249 -4.160 1.00 0.00 C ATOM 633 C PRO A 46 2.697 -2.877 -3.991 1.00 0.00 C ATOM 634 O PRO A 46 1.951 -2.645 -3.059 1.00 0.00 O ATOM 635 CB PRO A 46 2.555 -5.153 -5.087 1.00 0.00 C ATOM 636 CG PRO A 46 1.679 -5.966 -4.193 1.00 0.00 C ATOM 637 CD PRO A 46 2.357 -6.044 -2.848 1.00 0.00 C ATOM 0 HA PRO A 46 4.360 -4.052 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.962 -4.567 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.211 -5.791 -5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.694 -5.508 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.529 -6.964 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.645 -5.899 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.822 -7.018 -2.694 1.00 0.00 H new ATOM 645 N VAL A 47 2.974 -1.967 -4.882 1.00 0.00 N ATOM 646 CA VAL A 47 2.381 -0.603 -4.783 1.00 0.00 C ATOM 647 C VAL A 47 0.852 -0.665 -4.848 1.00 0.00 C ATOM 648 O VAL A 47 0.177 0.309 -4.586 1.00 0.00 O ATOM 649 CB VAL A 47 2.942 0.155 -5.990 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.085 1.392 -6.271 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.379 0.588 -5.694 1.00 0.00 C ATOM 0 H VAL A 47 3.591 -2.110 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 47 2.628 -0.118 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 47 2.927 -0.497 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.489 1.927 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.061 1.085 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.094 2.046 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.780 1.128 -6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.390 1.238 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.992 -0.292 -5.500 1.00 0.00 H new ATOM 661 N ASP A 48 0.295 -1.799 -5.174 1.00 0.00 N ATOM 662 CA ASP A 48 -1.185 -1.896 -5.228 1.00 0.00 C ATOM 663 C ASP A 48 -1.713 -1.919 -3.807 1.00 0.00 C ATOM 664 O ASP A 48 -2.678 -1.262 -3.472 1.00 0.00 O ATOM 665 CB ASP A 48 -1.480 -3.213 -5.925 1.00 0.00 C ATOM 666 CG ASP A 48 -2.263 -2.949 -7.212 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.835 -2.105 -7.980 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.279 -3.598 -7.407 1.00 0.00 O ATOM 0 H ASP A 48 0.799 -2.655 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.649 -1.062 -5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.549 -3.731 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.054 -3.864 -5.266 1.00 0.00 H new ATOM 673 N ILE A 49 -1.058 -2.657 -2.960 1.00 0.00 N ATOM 674 CA ILE A 49 -1.493 -2.707 -1.545 1.00 0.00 C ATOM 675 C ILE A 49 -1.312 -1.323 -0.951 1.00 0.00 C ATOM 676 O ILE A 49 -2.172 -0.791 -0.275 1.00 0.00 O ATOM 677 CB ILE A 49 -0.555 -3.699 -0.861 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.424 -4.963 -1.710 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.113 -4.061 0.515 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.801 -5.405 -2.207 1.00 0.00 C ATOM 0 H ILE A 49 -0.242 -3.226 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.534 -3.008 -1.428 1.00 0.00 H new ATOM 0 HB ILE A 49 0.429 -3.243 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.234 -4.775 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.033 -5.760 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.444 -4.769 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.195 -3.160 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.099 -4.512 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.698 -6.306 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.447 -5.612 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.242 -4.612 -2.811 1.00 0.00 H new ATOM 692 N LEU A 50 -0.189 -0.735 -1.226 1.00 0.00 N ATOM 693 CA LEU A 50 0.091 0.630 -0.717 1.00 0.00 C ATOM 694 C LEU A 50 -0.921 1.606 -1.315 1.00 0.00 C ATOM 695 O LEU A 50 -1.164 2.669 -0.780 1.00 0.00 O ATOM 696 CB LEU A 50 1.509 0.961 -1.205 1.00 0.00 C ATOM 697 CG LEU A 50 2.433 -0.253 -1.040 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.887 0.216 -1.038 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.126 -0.969 0.280 1.00 0.00 C ATOM 0 H LEU A 50 0.556 -1.146 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 50 0.016 0.698 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.478 1.262 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.905 1.806 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 50 2.269 -0.944 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.547 -0.644 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.109 0.718 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.045 0.909 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.786 -1.829 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.284 -0.282 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.089 -1.305 0.279 1.00 0.00 H new ATOM 711 N GLY A 51 -1.522 1.246 -2.419 1.00 0.00 N ATOM 712 CA GLY A 51 -2.525 2.151 -3.040 1.00 0.00 C ATOM 713 C GLY A 51 -3.877 1.899 -2.384 1.00 0.00 C ATOM 714 O GLY A 51 -4.698 2.786 -2.254 1.00 0.00 O ATOM 0 H GLY A 51 -1.361 0.368 -2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.229 3.192 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.585 1.970 -4.113 1.00 0.00 H new ATOM 718 N ARG A 52 -4.106 0.690 -1.952 1.00 0.00 N ATOM 719 CA ARG A 52 -5.392 0.365 -1.290 1.00 0.00 C ATOM 720 C ARG A 52 -5.237 0.501 0.219 1.00 0.00 C ATOM 721 O ARG A 52 -5.979 1.212 0.869 1.00 0.00 O ATOM 722 CB ARG A 52 -5.677 -1.083 -1.669 1.00 0.00 C ATOM 723 CG ARG A 52 -7.173 -1.257 -1.921 1.00 0.00 C ATOM 724 CD ARG A 52 -7.504 -2.746 -1.994 1.00 0.00 C ATOM 725 NE ARG A 52 -6.929 -3.204 -3.291 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.839 -4.480 -3.550 1.00 0.00 C ATOM 727 NH1 ARG A 52 -7.913 -5.163 -3.838 1.00 0.00 N ATOM 728 NH2 ARG A 52 -5.676 -5.072 -3.525 1.00 0.00 N ATOM 0 H ARG A 52 -3.452 -0.088 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.201 1.029 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.113 -1.355 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.352 -1.750 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.745 -0.785 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.456 -0.764 -2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.069 -3.289 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.580 -2.914 -1.958 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.606 -2.520 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.821 -4.700 -3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.844 -6.160 -4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.836 -4.537 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.607 -6.069 -3.728 1.00 0.00 H new ATOM 742 N VAL A 53 -4.270 -0.165 0.782 1.00 0.00 N ATOM 743 CA VAL A 53 -4.067 -0.056 2.247 1.00 0.00 C ATOM 744 C VAL A 53 -3.968 1.417 2.628 1.00 0.00 C ATOM 745 O VAL A 53 -4.390 1.823 3.690 1.00 0.00 O ATOM 746 CB VAL A 53 -2.752 -0.781 2.528 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.264 -0.431 3.936 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.984 -2.290 2.432 1.00 0.00 C ATOM 0 H VAL A 53 -3.616 -0.776 0.293 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.885 -0.490 2.822 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.001 -0.475 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.326 -0.949 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.107 0.645 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.011 -0.740 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.050 -2.815 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.733 -2.590 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.335 -2.541 1.431 1.00 0.00 H new ATOM 758 N TRP A 54 -3.421 2.222 1.758 1.00 0.00 N ATOM 759 CA TRP A 54 -3.304 3.672 2.065 1.00 0.00 C ATOM 760 C TRP A 54 -4.683 4.327 2.017 1.00 0.00 C ATOM 761 O TRP A 54 -5.131 4.924 2.974 1.00 0.00 O ATOM 762 CB TRP A 54 -2.407 4.254 0.976 1.00 0.00 C ATOM 763 CG TRP A 54 -2.463 5.741 1.066 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.474 6.506 0.598 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.501 6.651 1.667 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.196 7.830 0.875 1.00 0.00 N ATOM 767 CE2 TRP A 54 -1.988 7.973 1.530 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.265 6.463 2.310 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.276 9.067 2.015 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.456 7.563 2.798 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.048 8.863 2.652 1.00 0.00 C ATOM 0 H TRP A 54 -3.052 1.937 0.851 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.892 3.845 3.059 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.382 3.905 1.102 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.739 3.921 -0.007 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.355 6.142 0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.808 8.607 0.626 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.132 5.466 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.669 10.066 1.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.405 7.407 3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.511 9.706 3.031 1.00 0.00 H new ATOM 782 N GLU A 55 -5.360 4.220 0.910 1.00 0.00 N ATOM 783 CA GLU A 55 -6.713 4.840 0.808 1.00 0.00 C ATOM 784 C GLU A 55 -7.545 4.484 2.040 1.00 0.00 C ATOM 785 O GLU A 55 -8.154 5.334 2.658 1.00 0.00 O ATOM 786 CB GLU A 55 -7.330 4.243 -0.456 1.00 0.00 C ATOM 787 CG GLU A 55 -6.668 4.862 -1.688 1.00 0.00 C ATOM 788 CD GLU A 55 -7.531 6.012 -2.210 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.410 5.748 -3.014 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.301 7.136 -1.795 1.00 0.00 O ATOM 0 H GLU A 55 -5.039 3.733 0.073 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.670 5.928 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.196 3.161 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.403 4.431 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.673 5.227 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.542 4.107 -2.464 1.00 0.00 H new ATOM 797 N LEU A 56 -7.564 3.234 2.408 1.00 0.00 N ATOM 798 CA LEU A 56 -8.343 2.822 3.609 1.00 0.00 C ATOM 799 C LEU A 56 -7.575 3.215 4.878 1.00 0.00 C ATOM 800 O LEU A 56 -8.093 3.156 5.977 1.00 0.00 O ATOM 801 CB LEU A 56 -8.473 1.299 3.498 1.00 0.00 C ATOM 802 CG LEU A 56 -9.186 0.935 2.190 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.591 -0.356 1.630 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.682 0.725 2.456 1.00 0.00 C ATOM 0 H LEU A 56 -7.073 2.479 1.929 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.320 3.302 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.486 0.837 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.032 0.909 4.349 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.054 1.745 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.097 -0.616 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.528 -0.213 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.723 -1.161 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.185 0.467 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.814 -0.083 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.112 1.642 2.858 1.00 0.00 H new ATOM 816 N SER A 57 -6.342 3.623 4.726 1.00 0.00 N ATOM 817 CA SER A 57 -5.525 4.033 5.907 1.00 0.00 C ATOM 818 C SER A 57 -5.528 5.555 6.050 1.00 0.00 C ATOM 819 O SER A 57 -5.499 6.089 7.141 1.00 0.00 O ATOM 820 CB SER A 57 -4.113 3.546 5.600 1.00 0.00 C ATOM 821 OG SER A 57 -3.185 4.316 6.351 1.00 0.00 O ATOM 0 H SER A 57 -5.863 3.690 3.828 1.00 0.00 H new ATOM 0 HA SER A 57 -5.915 3.618 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.016 2.490 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.905 3.641 4.534 1.00 0.00 H new ATOM 0 HG SER A 57 -3.487 4.376 7.281 1.00 0.00 H new ATOM 827 N ASP A 58 -5.560 6.258 4.950 1.00 0.00 N ATOM 828 CA ASP A 58 -5.566 7.745 5.012 1.00 0.00 C ATOM 829 C ASP A 58 -6.975 8.231 5.324 1.00 0.00 C ATOM 830 O ASP A 58 -7.633 8.824 4.498 1.00 0.00 O ATOM 831 CB ASP A 58 -5.130 8.211 3.624 1.00 0.00 C ATOM 832 CG ASP A 58 -4.607 9.646 3.710 1.00 0.00 C ATOM 833 OD1 ASP A 58 -5.015 10.351 4.618 1.00 0.00 O ATOM 834 OD2 ASP A 58 -3.806 10.015 2.867 1.00 0.00 O ATOM 0 H ASP A 58 -5.582 5.864 4.009 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.905 8.135 5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.354 7.552 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.970 8.159 2.931 1.00 0.00 H new ATOM 839 N ILE A 59 -7.434 7.964 6.512 1.00 0.00 N ATOM 840 CA ILE A 59 -8.806 8.382 6.915 1.00 0.00 C ATOM 841 C ILE A 59 -9.191 9.720 6.278 1.00 0.00 C ATOM 842 O ILE A 59 -10.348 9.979 6.012 1.00 0.00 O ATOM 843 CB ILE A 59 -8.737 8.530 8.432 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.400 7.178 9.072 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.088 9.022 8.952 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.368 6.108 8.565 1.00 0.00 C ATOM 0 H ILE A 59 -6.910 7.467 7.232 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.555 7.659 6.593 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.960 9.250 8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.375 6.897 8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.463 7.253 10.158 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.044 9.129 10.036 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.322 9.986 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.863 8.302 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.124 5.150 9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.388 6.386 8.828 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.283 6.024 7.482 1.00 0.00 H new ATOM 858 N ASP A 60 -8.238 10.579 6.045 1.00 0.00 N ATOM 859 CA ASP A 60 -8.573 11.903 5.441 1.00 0.00 C ATOM 860 C ASP A 60 -8.275 11.929 3.937 1.00 0.00 C ATOM 861 O ASP A 60 -8.779 12.767 3.215 1.00 0.00 O ATOM 862 CB ASP A 60 -7.685 12.906 6.176 1.00 0.00 C ATOM 863 CG ASP A 60 -7.918 12.786 7.683 1.00 0.00 C ATOM 864 OD1 ASP A 60 -9.068 12.811 8.088 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.943 12.668 8.406 1.00 0.00 O ATOM 0 H ASP A 60 -7.249 10.426 6.244 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.634 12.129 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.637 12.718 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.909 13.919 5.842 1.00 0.00 H new ATOM 870 N HIS A 61 -7.454 11.039 3.456 1.00 0.00 N ATOM 871 CA HIS A 61 -7.131 11.048 1.998 1.00 0.00 C ATOM 872 C HIS A 61 -6.411 12.350 1.644 1.00 0.00 C ATOM 873 O HIS A 61 -6.599 12.906 0.581 1.00 0.00 O ATOM 874 CB HIS A 61 -8.478 10.989 1.267 1.00 0.00 C ATOM 875 CG HIS A 61 -9.432 10.066 1.978 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.264 8.829 2.547 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -10.769 10.385 2.155 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -10.476 8.385 3.069 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -11.349 9.360 2.806 1.00 0.00 N flip ATOM 0 H HIS A 61 -6.995 10.310 4.002 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.486 10.214 1.721 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.909 11.989 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.327 10.645 0.244 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.385 8.313 2.582 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.257 11.292 1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.669 7.452 3.578 1.00 0.00 H new ATOM 887 N ASP A 62 -5.602 12.851 2.535 1.00 0.00 N ATOM 888 CA ASP A 62 -4.889 14.130 2.261 1.00 0.00 C ATOM 889 C ASP A 62 -3.433 13.868 1.868 1.00 0.00 C ATOM 890 O ASP A 62 -2.622 14.772 1.826 1.00 0.00 O ATOM 891 CB ASP A 62 -4.961 14.894 3.580 1.00 0.00 C ATOM 892 CG ASP A 62 -3.987 14.274 4.584 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.830 13.064 4.556 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.416 15.018 5.363 1.00 0.00 O ATOM 0 H ASP A 62 -5.403 12.430 3.442 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.334 14.683 1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.714 15.943 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.976 14.863 3.975 1.00 0.00 H new ATOM 899 N GLY A 63 -3.090 12.642 1.591 1.00 0.00 N ATOM 900 CA GLY A 63 -1.684 12.335 1.214 1.00 0.00 C ATOM 901 C GLY A 63 -0.859 12.154 2.489 1.00 0.00 C ATOM 902 O GLY A 63 0.354 12.085 2.452 1.00 0.00 O ATOM 0 H GLY A 63 -3.721 11.841 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.645 11.430 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.271 13.142 0.609 1.00 0.00 H new ATOM 906 N MET A 64 -1.509 12.087 3.620 1.00 0.00 N ATOM 907 CA MET A 64 -0.765 11.919 4.895 1.00 0.00 C ATOM 908 C MET A 64 -1.488 10.935 5.825 1.00 0.00 C ATOM 909 O MET A 64 -2.666 10.674 5.675 1.00 0.00 O ATOM 910 CB MET A 64 -0.732 13.317 5.506 1.00 0.00 C ATOM 911 CG MET A 64 0.614 13.953 5.191 1.00 0.00 C ATOM 912 SD MET A 64 0.662 15.655 5.790 1.00 0.00 S ATOM 913 CE MET A 64 2.455 15.727 6.015 1.00 0.00 C ATOM 0 H MET A 64 -2.523 12.142 3.713 1.00 0.00 H new ATOM 0 HA MET A 64 0.234 11.511 4.739 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.541 13.925 5.103 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.881 13.262 6.584 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.414 13.375 5.654 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.789 13.934 4.115 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.735 16.711 6.390 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.763 14.965 6.731 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.949 15.548 5.060 1.00 0.00 H new ATOM 923 N LEU A 65 -0.787 10.386 6.783 1.00 0.00 N ATOM 924 CA LEU A 65 -1.429 9.418 7.724 1.00 0.00 C ATOM 925 C LEU A 65 -1.221 9.865 9.174 1.00 0.00 C ATOM 926 O LEU A 65 -0.117 9.839 9.681 1.00 0.00 O ATOM 927 CB LEU A 65 -0.695 8.093 7.496 1.00 0.00 C ATOM 928 CG LEU A 65 -1.004 7.552 6.103 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.054 6.395 5.789 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.447 7.048 6.065 1.00 0.00 C ATOM 0 H LEU A 65 0.202 10.566 6.955 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.502 9.342 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.379 8.240 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.997 7.367 8.251 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.874 8.343 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.271 6.005 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.976 6.751 5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.189 5.603 6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.671 6.661 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.575 6.254 6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.125 7.869 6.296 1.00 0.00 H new ATOM 942 N ASP A 66 -2.261 10.259 9.856 1.00 0.00 N ATOM 943 CA ASP A 66 -2.086 10.683 11.275 1.00 0.00 C ATOM 944 C ASP A 66 -1.732 9.466 12.131 1.00 0.00 C ATOM 945 O ASP A 66 -1.802 8.339 11.682 1.00 0.00 O ATOM 946 CB ASP A 66 -3.435 11.257 11.702 1.00 0.00 C ATOM 947 CG ASP A 66 -3.247 12.162 12.921 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.414 11.838 13.752 1.00 0.00 O ATOM 949 OD2 ASP A 66 -3.941 13.162 13.005 1.00 0.00 O ATOM 0 H ASP A 66 -3.215 10.306 9.498 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.287 11.415 11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.877 11.823 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.126 10.449 11.940 1.00 0.00 H new ATOM 954 N ARG A 67 -1.347 9.683 13.355 1.00 0.00 N ATOM 955 CA ARG A 67 -0.984 8.536 14.237 1.00 0.00 C ATOM 956 C ARG A 67 -2.055 7.445 14.173 1.00 0.00 C ATOM 957 O ARG A 67 -1.757 6.267 14.147 1.00 0.00 O ATOM 958 CB ARG A 67 -0.913 9.127 15.643 1.00 0.00 C ATOM 959 CG ARG A 67 -2.262 9.755 15.998 1.00 0.00 C ATOM 960 CD ARG A 67 -2.080 10.747 17.148 1.00 0.00 C ATOM 961 NE ARG A 67 -1.615 9.922 18.298 1.00 0.00 N ATOM 962 CZ ARG A 67 -1.583 10.433 19.497 1.00 0.00 C ATOM 963 NH1 ARG A 67 -0.669 11.311 19.808 1.00 0.00 N ATOM 964 NH2 ARG A 67 -2.466 10.067 20.386 1.00 0.00 N ATOM 0 H ARG A 67 -1.267 10.604 13.786 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.045 8.072 13.936 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.660 8.350 16.364 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.125 9.878 15.695 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.678 10.264 15.128 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.972 8.979 16.283 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.351 11.517 16.894 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.015 11.258 17.381 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.322 8.957 18.147 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.020 11.598 19.113 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.644 11.711 20.746 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.181 9.381 20.143 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.441 10.467 21.324 1.00 0.00 H new ATOM 978 N ASP A 68 -3.298 7.829 14.152 1.00 0.00 N ATOM 979 CA ASP A 68 -4.392 6.816 14.097 1.00 0.00 C ATOM 980 C ASP A 68 -4.589 6.321 12.663 1.00 0.00 C ATOM 981 O ASP A 68 -4.958 5.187 12.435 1.00 0.00 O ATOM 982 CB ASP A 68 -5.640 7.551 14.588 1.00 0.00 C ATOM 983 CG ASP A 68 -6.318 6.736 15.691 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.817 5.669 16.007 1.00 0.00 O ATOM 985 OD2 ASP A 68 -7.327 7.192 16.202 1.00 0.00 O ATOM 0 H ASP A 68 -3.607 8.801 14.170 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.170 5.939 14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.368 8.537 14.966 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.332 7.706 13.760 1.00 0.00 H new ATOM 990 N GLU A 69 -4.342 7.159 11.695 1.00 0.00 N ATOM 991 CA GLU A 69 -4.516 6.722 10.280 1.00 0.00 C ATOM 992 C GLU A 69 -3.351 5.822 9.871 1.00 0.00 C ATOM 993 O GLU A 69 -3.521 4.848 9.166 1.00 0.00 O ATOM 994 CB GLU A 69 -4.518 8.010 9.458 1.00 0.00 C ATOM 995 CG GLU A 69 -5.533 8.987 10.049 1.00 0.00 C ATOM 996 CD GLU A 69 -5.677 10.197 9.124 1.00 0.00 C ATOM 997 OE1 GLU A 69 -6.070 10.002 7.985 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.391 11.295 9.568 1.00 0.00 O ATOM 0 H GLU A 69 -4.029 8.122 11.820 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.432 6.151 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.524 8.457 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.769 7.792 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.497 8.495 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.209 9.309 11.039 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.167 6.136 10.322 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.992 5.295 9.972 1.00 0.00 C ATOM 1007 C PHE A 70 -1.120 3.933 10.654 1.00 0.00 C ATOM 1008 O PHE A 70 -0.503 2.964 10.258 1.00 0.00 O ATOM 1009 CB PHE A 70 0.219 6.055 10.513 1.00 0.00 C ATOM 1010 CG PHE A 70 1.482 5.354 10.078 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.010 4.315 10.855 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.122 5.739 8.894 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.180 3.661 10.447 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.290 5.084 8.486 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.818 4.046 9.262 1.00 0.00 C ATOM 0 H PHE A 70 -1.965 6.939 10.918 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.907 5.117 8.900 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.213 7.081 10.145 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.174 6.107 11.601 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.515 4.018 11.768 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.715 6.541 8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.589 2.861 11.046 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.784 5.380 7.572 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.719 3.541 8.946 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.930 3.854 11.674 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.110 2.553 12.381 1.00 0.00 C ATOM 1027 C ALA A 71 -3.007 1.641 11.545 1.00 0.00 C ATOM 1028 O ALA A 71 -2.775 0.451 11.427 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.785 2.909 13.705 1.00 0.00 C ATOM 0 H ALA A 71 -2.474 4.632 12.048 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.169 2.026 12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.952 2.001 14.284 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.145 3.587 14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.741 3.394 13.507 1.00 0.00 H new ATOM 1035 N VAL A 72 -4.021 2.203 10.952 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.936 1.391 10.104 1.00 0.00 C ATOM 1037 C VAL A 72 -4.158 0.845 8.904 1.00 0.00 C ATOM 1038 O VAL A 72 -4.527 -0.146 8.304 1.00 0.00 O ATOM 1039 CB VAL A 72 -6.013 2.372 9.635 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -7.092 1.614 8.860 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.643 3.070 10.845 1.00 0.00 C ATOM 0 H VAL A 72 -4.257 3.193 11.018 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.365 0.542 10.637 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.559 3.121 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.859 2.313 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.644 1.127 7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.544 0.862 9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.409 3.767 10.505 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.095 2.325 11.500 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.874 3.615 11.392 1.00 0.00 H new ATOM 1051 N ALA A 73 -3.084 1.499 8.551 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.271 1.042 7.388 1.00 0.00 C ATOM 1053 C ALA A 73 -1.179 0.066 7.836 1.00 0.00 C ATOM 1054 O ALA A 73 -0.504 -0.533 7.022 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.648 2.319 6.827 1.00 0.00 C ATOM 0 H ALA A 73 -2.734 2.334 9.021 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.873 0.513 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.030 2.073 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.438 3.006 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.031 2.790 7.593 1.00 0.00 H new ATOM 1061 N MET A 74 -0.995 -0.101 9.116 1.00 0.00 N ATOM 1062 CA MET A 74 0.060 -1.043 9.591 1.00 0.00 C ATOM 1063 C MET A 74 -0.478 -2.468 9.589 1.00 0.00 C ATOM 1064 O MET A 74 0.158 -3.379 9.097 1.00 0.00 O ATOM 1065 CB MET A 74 0.391 -0.592 11.014 1.00 0.00 C ATOM 1066 CG MET A 74 1.240 0.679 10.969 1.00 0.00 C ATOM 1067 SD MET A 74 2.989 0.226 10.862 1.00 0.00 S ATOM 1068 CE MET A 74 3.200 0.546 9.094 1.00 0.00 C ATOM 0 H MET A 74 -1.524 0.370 9.850 1.00 0.00 H new ATOM 0 HA MET A 74 0.943 -1.033 8.952 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.528 -0.407 11.570 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.928 -1.381 11.540 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.957 1.289 10.111 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.062 1.281 11.860 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.524 -0.367 8.595 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.252 0.876 8.668 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.951 1.323 8.952 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.650 -2.671 10.112 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.215 -4.043 10.104 1.00 0.00 C ATOM 1080 C PHE A 75 -2.715 -4.343 8.693 1.00 0.00 C ATOM 1081 O PHE A 75 -2.769 -5.478 8.263 1.00 0.00 O ATOM 1082 CB PHE A 75 -3.354 -4.025 11.131 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.635 -3.552 10.486 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.888 -2.184 10.365 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -5.565 -4.484 10.009 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.070 -1.744 9.768 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -6.751 -4.042 9.411 1.00 0.00 C ATOM 1088 CZ PHE A 75 -7.003 -2.672 9.290 1.00 0.00 C ATOM 0 H PHE A 75 -2.236 -1.955 10.541 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.494 -4.817 10.365 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.495 -5.023 11.545 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.093 -3.369 11.962 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.169 -1.467 10.733 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.368 -5.542 10.102 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.265 -0.686 9.675 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.471 -4.758 9.043 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.917 -2.330 8.828 1.00 0.00 H new ATOM 1098 N LEU A 76 -3.050 -3.314 7.961 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.511 -3.517 6.563 1.00 0.00 C ATOM 1100 C LEU A 76 -2.319 -3.968 5.723 1.00 0.00 C ATOM 1101 O LEU A 76 -2.461 -4.648 4.726 1.00 0.00 O ATOM 1102 CB LEU A 76 -4.013 -2.148 6.101 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.501 -2.011 6.423 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -6.020 -0.686 5.864 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -6.269 -3.170 5.786 1.00 0.00 C ATOM 0 H LEU A 76 -3.023 -2.343 8.273 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.293 -4.271 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.449 -1.357 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.851 -2.033 5.029 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.644 -2.032 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.081 -0.586 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.472 0.140 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.878 -0.666 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.330 -3.073 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.128 -3.150 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.897 -4.115 6.183 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.136 -3.607 6.145 1.00 0.00 N ATOM 1118 CA VAL A 77 0.084 -4.020 5.409 1.00 0.00 C ATOM 1119 C VAL A 77 0.583 -5.335 5.993 1.00 0.00 C ATOM 1120 O VAL A 77 0.616 -6.345 5.326 1.00 0.00 O ATOM 1121 CB VAL A 77 1.095 -2.885 5.645 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.490 -3.315 5.168 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.653 -1.647 4.859 1.00 0.00 C ATOM 0 H VAL A 77 -0.966 -3.039 6.975 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.084 -4.178 4.344 1.00 0.00 H new ATOM 0 HB VAL A 77 1.136 -2.657 6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.199 -2.505 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.808 -4.198 5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.455 -3.547 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.366 -0.839 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.613 -1.886 3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.334 -1.334 5.198 1.00 0.00 H new ATOM 1133 N TYR A 78 0.958 -5.328 7.241 1.00 0.00 N ATOM 1134 CA TYR A 78 1.460 -6.574 7.879 1.00 0.00 C ATOM 1135 C TYR A 78 0.533 -7.756 7.586 1.00 0.00 C ATOM 1136 O TYR A 78 0.950 -8.897 7.601 1.00 0.00 O ATOM 1137 CB TYR A 78 1.488 -6.270 9.374 1.00 0.00 C ATOM 1138 CG TYR A 78 2.907 -5.981 9.790 1.00 0.00 C ATOM 1139 CD1 TYR A 78 3.890 -6.969 9.657 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.240 -4.724 10.306 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.209 -6.697 10.042 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.558 -4.451 10.690 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.543 -5.438 10.558 1.00 0.00 C ATOM 1144 OH TYR A 78 6.843 -5.170 10.936 1.00 0.00 O ATOM 0 H TYR A 78 0.938 -4.509 7.848 1.00 0.00 H new ATOM 0 HA TYR A 78 2.442 -6.855 7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.849 -5.415 9.596 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.096 -7.116 9.938 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.632 -7.939 9.258 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.480 -3.964 10.408 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.969 -7.458 9.941 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.815 -3.480 11.088 1.00 0.00 H new ATOM 0 HH TYR A 78 6.903 -4.251 11.271 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.718 -7.502 7.321 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.650 -8.625 7.031 1.00 0.00 C ATOM 1156 C CYS A 79 -1.525 -9.037 5.567 1.00 0.00 C ATOM 1157 O CYS A 79 -2.008 -10.076 5.163 1.00 0.00 O ATOM 1158 CB CYS A 79 -3.047 -8.072 7.317 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.338 -8.059 9.104 1.00 0.00 S ATOM 0 H CYS A 79 -1.133 -6.571 7.293 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.436 -9.508 7.633 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.139 -7.063 6.916 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.800 -8.683 6.820 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.249 -6.841 9.549 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.866 -8.242 4.771 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.704 -8.604 3.341 1.00 0.00 C ATOM 1167 C ALA A 80 0.576 -9.422 3.172 1.00 0.00 C ATOM 1168 O ALA A 80 0.825 -10.004 2.136 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.600 -7.273 2.600 1.00 0.00 C ATOM 0 H ALA A 80 -0.435 -7.361 5.050 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.529 -9.205 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.478 -7.459 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.508 -6.692 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.260 -6.716 2.972 1.00 0.00 H new ATOM 1175 N LEU A 81 1.386 -9.476 4.196 1.00 0.00 N ATOM 1176 CA LEU A 81 2.646 -10.263 4.110 1.00 0.00 C ATOM 1177 C LEU A 81 2.370 -11.702 4.517 1.00 0.00 C ATOM 1178 O LEU A 81 2.824 -12.639 3.892 1.00 0.00 O ATOM 1179 CB LEU A 81 3.607 -9.614 5.103 1.00 0.00 C ATOM 1180 CG LEU A 81 4.031 -8.246 4.583 1.00 0.00 C ATOM 1181 CD1 LEU A 81 2.860 -7.283 4.705 1.00 0.00 C ATOM 1182 CD2 LEU A 81 5.208 -7.729 5.414 1.00 0.00 C ATOM 0 H LEU A 81 1.227 -9.008 5.088 1.00 0.00 H new ATOM 0 HA LEU A 81 3.058 -10.271 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.126 -9.512 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.482 -10.248 5.245 1.00 0.00 H new ATOM 0 HG LEU A 81 4.333 -8.325 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.156 -6.301 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.021 -7.655 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.563 -7.202 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.513 -6.750 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.907 -7.644 6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.044 -8.424 5.333 1.00 0.00 H new ATOM 1194 N GLU A 82 1.619 -11.880 5.565 1.00 0.00 N ATOM 1195 CA GLU A 82 1.303 -13.256 6.017 1.00 0.00 C ATOM 1196 C GLU A 82 0.366 -13.923 5.015 1.00 0.00 C ATOM 1197 O GLU A 82 0.654 -14.976 4.484 1.00 0.00 O ATOM 1198 CB GLU A 82 0.614 -13.084 7.371 1.00 0.00 C ATOM 1199 CG GLU A 82 1.668 -13.034 8.481 1.00 0.00 C ATOM 1200 CD GLU A 82 1.546 -14.283 9.356 1.00 0.00 C ATOM 1201 OE1 GLU A 82 2.012 -15.328 8.932 1.00 0.00 O ATOM 1202 OE2 GLU A 82 0.987 -14.175 10.436 1.00 0.00 O ATOM 0 H GLU A 82 1.212 -11.132 6.126 1.00 0.00 H new ATOM 0 HA GLU A 82 2.190 -13.884 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.023 -12.168 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.075 -13.910 7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.666 -12.977 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.532 -12.138 9.086 1.00 0.00 H new ATOM 1209 N LYS A 83 -0.752 -13.309 4.748 1.00 0.00 N ATOM 1210 CA LYS A 83 -1.713 -13.903 3.770 1.00 0.00 C ATOM 1211 C LYS A 83 -2.981 -13.045 3.645 1.00 0.00 C ATOM 1212 O LYS A 83 -3.687 -13.110 2.658 1.00 0.00 O ATOM 1213 CB LYS A 83 -2.060 -15.278 4.340 1.00 0.00 C ATOM 1214 CG LYS A 83 -3.186 -15.904 3.515 1.00 0.00 C ATOM 1215 CD LYS A 83 -3.268 -17.402 3.818 1.00 0.00 C ATOM 1216 CE LYS A 83 -2.078 -18.120 3.176 1.00 0.00 C ATOM 1217 NZ LYS A 83 -1.842 -19.315 4.034 1.00 0.00 N ATOM 0 H LYS A 83 -1.044 -12.424 5.162 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.281 -13.963 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.181 -15.923 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.367 -15.185 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.135 -15.422 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.003 -15.747 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.267 -17.566 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.203 -17.811 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.299 -18.409 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.199 -17.477 3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.040 -19.860 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.628 -19.009 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.693 -19.912 4.039 1.00 0.00 H new ATOM 1231 N GLU A 84 -3.291 -12.260 4.643 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.527 -11.425 4.582 1.00 0.00 C ATOM 1233 C GLU A 84 -4.406 -10.333 3.513 1.00 0.00 C ATOM 1234 O GLU A 84 -3.633 -9.407 3.656 1.00 0.00 O ATOM 1235 CB GLU A 84 -4.647 -10.799 5.970 1.00 0.00 C ATOM 1236 CG GLU A 84 -5.406 -11.751 6.897 1.00 0.00 C ATOM 1237 CD GLU A 84 -6.865 -11.842 6.447 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -7.650 -11.012 6.877 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -7.172 -12.739 5.681 1.00 0.00 O ATOM 0 H GLU A 84 -2.742 -12.161 5.497 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.401 -12.019 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.656 -10.594 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.169 -9.844 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.946 -12.739 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.353 -11.394 7.926 1.00 0.00 H new ATOM 1246 N PRO A 85 -5.191 -10.471 2.480 1.00 0.00 N ATOM 1247 CA PRO A 85 -5.184 -9.473 1.384 1.00 0.00 C ATOM 1248 C PRO A 85 -5.869 -8.185 1.852 1.00 0.00 C ATOM 1249 O PRO A 85 -6.438 -8.132 2.925 1.00 0.00 O ATOM 1250 CB PRO A 85 -5.983 -10.152 0.275 1.00 0.00 C ATOM 1251 CG PRO A 85 -6.864 -11.134 0.979 1.00 0.00 C ATOM 1252 CD PRO A 85 -6.148 -11.555 2.236 1.00 0.00 C ATOM 0 HA PRO A 85 -4.184 -9.188 1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.571 -9.427 -0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.325 -10.651 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.828 -10.684 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.064 -11.996 0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.840 -11.671 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.642 -12.512 2.106 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.814 -7.144 1.068 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.458 -5.867 1.488 1.00 0.00 C ATOM 1262 C VAL A 86 -7.520 -5.437 0.471 1.00 0.00 C ATOM 1263 O VAL A 86 -7.237 -5.312 -0.703 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.318 -4.850 1.525 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.870 -3.478 1.914 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.272 -5.291 2.553 1.00 0.00 C ATOM 0 H VAL A 86 -5.353 -7.122 0.158 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.964 -5.960 2.449 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.855 -4.789 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.057 -2.753 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.613 -3.164 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.334 -3.538 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.459 -4.565 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.734 -5.354 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.877 -6.268 2.274 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.712 -5.214 0.964 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.822 -4.781 0.095 1.00 0.00 C ATOM 1278 C PRO A 87 -9.778 -3.262 -0.066 1.00 0.00 C ATOM 1279 O PRO A 87 -8.819 -2.621 0.314 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.064 -5.206 0.871 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.644 -5.257 2.310 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.135 -5.341 2.360 1.00 0.00 C ATOM 0 HA PRO A 87 -9.789 -5.207 -0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.879 -4.497 0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.424 -6.178 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.993 -4.370 2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.089 -6.120 2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.714 -4.546 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.805 -6.287 2.790 1.00 0.00 H new ATOM 1290 N MET A 88 -10.799 -2.678 -0.623 1.00 0.00 N ATOM 1291 CA MET A 88 -10.797 -1.197 -0.793 1.00 0.00 C ATOM 1292 C MET A 88 -11.918 -0.578 0.028 1.00 0.00 C ATOM 1293 O MET A 88 -12.217 0.594 -0.098 1.00 0.00 O ATOM 1294 CB MET A 88 -11.085 -0.935 -2.267 1.00 0.00 C ATOM 1295 CG MET A 88 -10.301 -1.905 -3.157 1.00 0.00 C ATOM 1296 SD MET A 88 -11.077 -1.981 -4.791 1.00 0.00 S ATOM 1297 CE MET A 88 -9.671 -1.352 -5.741 1.00 0.00 C ATOM 0 H MET A 88 -11.631 -3.157 -0.967 1.00 0.00 H new ATOM 0 HA MET A 88 -9.846 -0.772 -0.472 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.153 -1.042 -2.458 1.00 0.00 H new ATOM 0 HB3 MET A 88 -10.818 0.092 -2.517 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.266 -1.576 -3.249 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.282 -2.897 -2.705 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.934 -1.314 -6.798 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.417 -0.350 -5.394 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.814 -2.012 -5.603 1.00 0.00 H new ATOM 1307 N SER A 89 -12.570 -1.353 0.841 1.00 0.00 N ATOM 1308 CA SER A 89 -13.698 -0.789 1.623 1.00 0.00 C ATOM 1309 C SER A 89 -13.331 -0.596 3.084 1.00 0.00 C ATOM 1310 O SER A 89 -13.276 -1.529 3.860 1.00 0.00 O ATOM 1311 CB SER A 89 -14.813 -1.809 1.503 1.00 0.00 C ATOM 1312 OG SER A 89 -15.308 -1.815 0.170 1.00 0.00 O ATOM 0 H SER A 89 -12.374 -2.342 0.998 1.00 0.00 H new ATOM 0 HA SER A 89 -13.981 0.194 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.445 -2.800 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.616 -1.569 2.200 1.00 0.00 H new ATOM 0 HG SER A 89 -16.028 -2.475 0.091 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.106 0.618 3.464 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.770 0.900 4.887 1.00 0.00 C ATOM 1320 C LEU A 90 -13.802 0.216 5.787 1.00 0.00 C ATOM 1321 O LEU A 90 -14.935 0.649 5.872 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.852 2.421 5.023 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.448 2.994 5.213 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.451 4.480 4.852 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.024 2.827 6.673 1.00 0.00 C ATOM 0 H LEU A 90 -13.139 1.435 2.854 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.786 0.530 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -13.314 2.851 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.482 2.687 5.871 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.748 2.464 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.450 4.889 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.755 4.601 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -12.150 5.010 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.023 3.235 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.724 3.358 7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.023 1.768 6.933 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.378 -0.845 6.419 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.283 -1.616 7.309 1.00 0.00 C ATOM 1339 C PRO A 91 -14.642 -0.813 8.566 1.00 0.00 C ATOM 1340 O PRO A 91 -13.826 -0.088 9.101 1.00 0.00 O ATOM 1341 CB PRO A 91 -13.472 -2.864 7.650 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.045 -2.465 7.454 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.029 -1.418 6.371 1.00 0.00 C ATOM 0 HA PRO A 91 -15.239 -1.853 6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.655 -3.185 8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.741 -3.698 7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.624 -2.071 8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.439 -3.325 7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.266 -0.662 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.814 -1.855 5.396 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.871 -0.975 8.981 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.393 -0.262 10.180 1.00 0.00 C ATOM 1353 C PRO A 92 -15.795 -0.830 11.469 1.00 0.00 C ATOM 1354 O PRO A 92 -15.984 -0.291 12.541 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.891 -0.540 10.132 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.023 -1.810 9.355 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.887 -1.838 8.369 1.00 0.00 C ATOM 0 HA PRO A 92 -16.145 0.799 10.174 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.305 -0.646 11.135 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.429 0.276 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.981 -2.674 10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.983 -1.850 8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.513 -2.851 8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.195 -1.463 7.393 1.00 0.00 H new ATOM 1365 N ALA A 93 -15.070 -1.905 11.375 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.455 -2.499 12.597 1.00 0.00 C ATOM 1367 C ALA A 93 -12.998 -2.079 12.664 1.00 0.00 C ATOM 1368 O ALA A 93 -12.177 -2.722 13.278 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.560 -4.012 12.411 1.00 0.00 C ATOM 0 H ALA A 93 -14.874 -2.401 10.505 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.945 -2.176 13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.126 -4.516 13.275 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.608 -4.295 12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.021 -4.306 11.511 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.678 -1.015 11.995 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.272 -0.543 11.962 1.00 0.00 C ATOM 1377 C LEU A 94 -11.220 0.995 12.017 1.00 0.00 C ATOM 1378 O LEU A 94 -10.179 1.583 12.219 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.771 -1.108 10.623 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.562 -0.340 10.104 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -10.029 0.996 9.528 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -8.570 -0.117 11.245 1.00 0.00 C ATOM 0 H LEU A 94 -13.336 -0.445 11.464 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.662 -0.868 12.805 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.509 -2.159 10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.573 -1.064 9.887 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.065 -0.910 9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.169 1.552 9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.727 0.816 8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.524 1.575 10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.705 0.432 10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.050 0.456 12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.246 -1.080 11.639 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.334 1.658 11.855 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.323 3.149 11.909 1.00 0.00 C ATOM 1396 C VAL A 95 -12.272 3.623 13.363 1.00 0.00 C ATOM 1397 O VAL A 95 -12.877 3.027 14.232 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.636 3.601 11.257 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.477 5.025 10.721 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.997 2.667 10.095 1.00 0.00 C ATOM 0 H VAL A 95 -13.247 1.234 11.688 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.454 3.562 11.397 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.429 3.571 12.004 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.410 5.346 10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.230 5.697 11.542 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -12.678 5.048 9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.931 2.997 9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.202 2.689 9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.115 1.650 10.469 1.00 0.00 H new ATOM 1410 N PRO A 96 -11.561 4.695 13.577 1.00 0.00 N ATOM 1411 CA PRO A 96 -11.444 5.269 14.938 1.00 0.00 C ATOM 1412 C PRO A 96 -12.778 5.906 15.334 1.00 0.00 C ATOM 1413 O PRO A 96 -13.613 6.158 14.487 1.00 0.00 O ATOM 1414 CB PRO A 96 -10.349 6.322 14.790 1.00 0.00 C ATOM 1415 CG PRO A 96 -10.365 6.691 13.341 1.00 0.00 C ATOM 1416 CD PRO A 96 -10.807 5.465 12.583 1.00 0.00 C ATOM 0 HA PRO A 96 -11.206 4.536 15.709 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.546 7.189 15.421 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.378 5.926 15.086 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -11.046 7.523 13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.376 7.012 13.013 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.426 5.726 11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.956 4.901 12.202 1.00 0.00 H new ATOM 1424 N PRO A 97 -12.945 6.142 16.606 1.00 0.00 N ATOM 1425 CA PRO A 97 -14.203 6.750 17.098 1.00 0.00 C ATOM 1426 C PRO A 97 -14.286 8.218 16.695 1.00 0.00 C ATOM 1427 O PRO A 97 -14.442 9.100 17.516 1.00 0.00 O ATOM 1428 CB PRO A 97 -14.115 6.592 18.613 1.00 0.00 C ATOM 1429 CG PRO A 97 -12.650 6.495 18.904 1.00 0.00 C ATOM 1430 CD PRO A 97 -11.998 5.873 17.693 1.00 0.00 C ATOM 0 HA PRO A 97 -15.095 6.280 16.683 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.565 7.442 19.126 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.645 5.701 18.949 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.231 7.481 19.104 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.473 5.888 19.792 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.023 6.316 17.492 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.840 4.803 17.830 1.00 0.00 H new ATOM 1438 N SER A 98 -14.204 8.471 15.426 1.00 0.00 N ATOM 1439 CA SER A 98 -14.302 9.862 14.922 1.00 0.00 C ATOM 1440 C SER A 98 -15.059 9.850 13.605 1.00 0.00 C ATOM 1441 O SER A 98 -15.870 10.710 13.327 1.00 0.00 O ATOM 1442 CB SER A 98 -12.862 10.328 14.720 1.00 0.00 C ATOM 1443 OG SER A 98 -12.854 11.722 14.442 1.00 0.00 O ATOM 0 H SER A 98 -14.071 7.762 14.704 1.00 0.00 H new ATOM 0 HA SER A 98 -14.831 10.526 15.605 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.272 10.120 15.612 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.402 9.779 13.898 1.00 0.00 H new ATOM 0 HG SER A 98 -11.931 12.025 14.313 1.00 0.00 H new ATOM 1449 N LYS A 99 -14.813 8.860 12.803 1.00 0.00 N ATOM 1450 CA LYS A 99 -15.527 8.761 11.514 1.00 0.00 C ATOM 1451 C LYS A 99 -16.781 7.903 11.687 1.00 0.00 C ATOM 1452 O LYS A 99 -17.391 7.511 10.714 1.00 0.00 O ATOM 1453 CB LYS A 99 -14.537 8.084 10.569 1.00 0.00 C ATOM 1454 CG LYS A 99 -14.358 8.942 9.314 1.00 0.00 C ATOM 1455 CD LYS A 99 -13.891 8.059 8.156 1.00 0.00 C ATOM 1456 CE LYS A 99 -14.641 8.448 6.880 1.00 0.00 C ATOM 1457 NZ LYS A 99 -16.045 8.008 7.110 1.00 0.00 N ATOM 0 H LYS A 99 -14.144 8.112 12.988 1.00 0.00 H new ATOM 0 HA LYS A 99 -15.850 9.731 11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.578 7.947 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.899 7.093 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.298 9.430 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.630 9.731 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.817 8.173 8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.071 7.010 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.588 9.522 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.212 7.959 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.418 7.569 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.069 7.316 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.630 8.831 7.361 1.00 0.00 H new ATOM 1471 N ARG A 100 -17.159 7.598 12.922 1.00 0.00 N ATOM 1472 CA ARG A 100 -18.379 6.753 13.163 1.00 0.00 C ATOM 1473 C ARG A 100 -19.356 6.819 11.980 1.00 0.00 C ATOM 1474 O ARG A 100 -19.340 5.968 11.118 1.00 0.00 O ATOM 1475 CB ARG A 100 -19.025 7.339 14.416 1.00 0.00 C ATOM 1476 CG ARG A 100 -18.986 6.301 15.533 1.00 0.00 C ATOM 1477 CD ARG A 100 -17.547 5.840 15.750 1.00 0.00 C ATOM 1478 NE ARG A 100 -16.750 7.095 15.793 1.00 0.00 N ATOM 1479 CZ ARG A 100 -17.102 8.066 16.596 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -17.606 7.793 17.769 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -16.960 9.308 16.224 1.00 0.00 N ATOM 0 H ARG A 100 -16.672 7.900 13.766 1.00 0.00 H new ATOM 0 HA ARG A 100 -18.115 5.702 13.280 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -18.497 8.242 14.724 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -20.055 7.628 14.207 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -19.385 6.727 16.454 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -19.617 5.450 15.275 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -17.448 5.276 16.677 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.214 5.187 14.943 1.00 0.00 H new ATOM 0 HE ARG A 100 -15.929 7.199 15.197 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.725 6.823 18.059 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -17.880 8.550 18.395 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -16.574 9.524 15.305 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.235 10.063 16.852 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.771 11.917 6.925 1.00 12.07 CA