USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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 Single : A 10 LYS NZ :NH3+ -130:sc= -0.24 (180deg=-1.15) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0.504 (180deg=0.433) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 142:sc= 0.722 USER MOD Single : A 23 SER OG : rot 108:sc= 1.21 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.53! C(o=-1.5!,f=-1.3!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.729 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0.756 (180deg=0.551!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -4.5! C(o=-5.7!,f=-4.5!) USER MOD Single : A 43 SER OG : rot -65:sc= -1.89! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 101:sc= -5.32! USER MOD Single : A 61 HIS :FLIP no HE2:sc= -4.42! C(o=-5.1!,f=-4.4!) USER MOD Single : A 64 MET CE :methyl 147:sc= -5.62! (180deg=-8.06!) USER MOD Single : A 74 MET CE :methyl -127:sc= -3.62! (180deg=-6.23!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.373 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -12:sc= 0.909 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -12.075 -2.662 16.870 1.00 0.00 N ATOM 16 CA TRP A 7 -11.263 -2.150 15.729 1.00 0.00 C ATOM 17 C TRP A 7 -10.221 -3.196 15.323 1.00 0.00 C ATOM 18 O TRP A 7 -9.525 -3.744 16.155 1.00 0.00 O ATOM 19 CB TRP A 7 -10.586 -0.898 16.288 1.00 0.00 C ATOM 20 CG TRP A 7 -9.715 -0.276 15.248 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.836 -0.466 13.915 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.596 0.634 15.434 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.858 0.272 13.270 1.00 0.00 N ATOM 24 CE2 TRP A 7 -8.069 0.968 14.166 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.992 1.199 16.573 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.982 1.829 14.032 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.897 2.067 16.441 1.00 0.00 C ATOM 28 CH2 TRP A 7 -6.392 2.381 15.171 1.00 0.00 C ATOM 0 HA TRP A 7 -11.857 -1.937 14.840 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.341 -0.183 16.616 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.991 -1.157 17.164 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.574 -1.090 13.433 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.735 0.299 12.258 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.374 0.963 17.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.597 2.068 13.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.441 2.495 17.322 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.548 3.048 15.074 1.00 0.00 H new ATOM 39 N ALA A 8 -10.108 -3.483 14.056 1.00 0.00 N ATOM 40 CA ALA A 8 -9.108 -4.498 13.616 1.00 0.00 C ATOM 41 C ALA A 8 -7.758 -4.229 14.279 1.00 0.00 C ATOM 42 O ALA A 8 -6.988 -5.132 14.536 1.00 0.00 O ATOM 43 CB ALA A 8 -9.003 -4.325 12.103 1.00 0.00 C ATOM 0 H ALA A 8 -10.661 -3.062 13.309 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.402 -5.511 13.890 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.283 -5.040 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.978 -4.500 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.673 -3.312 11.875 1.00 0.00 H new ATOM 49 N VAL A 9 -7.470 -2.990 14.562 1.00 0.00 N ATOM 50 CA VAL A 9 -6.171 -2.659 15.213 1.00 0.00 C ATOM 51 C VAL A 9 -6.389 -2.397 16.704 1.00 0.00 C ATOM 52 O VAL A 9 -7.435 -1.939 17.120 1.00 0.00 O ATOM 53 CB VAL A 9 -5.682 -1.393 14.507 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.433 -0.860 15.208 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.344 -1.720 13.051 1.00 0.00 C ATOM 0 H VAL A 9 -8.077 -2.192 14.371 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.446 -3.469 15.133 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.466 -0.637 14.541 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.088 0.042 14.702 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.670 -0.625 16.246 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.648 -1.616 15.177 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.995 -0.818 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.562 -2.478 13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.234 -2.097 12.547 1.00 0.00 H new ATOM 65 N LYS A 10 -5.409 -2.687 17.509 1.00 0.00 N ATOM 66 CA LYS A 10 -5.551 -2.460 18.974 1.00 0.00 C ATOM 67 C LYS A 10 -4.378 -1.610 19.474 1.00 0.00 C ATOM 68 O LYS A 10 -3.447 -1.354 18.737 1.00 0.00 O ATOM 69 CB LYS A 10 -5.542 -3.857 19.626 1.00 0.00 C ATOM 70 CG LYS A 10 -4.694 -4.850 18.814 1.00 0.00 C ATOM 71 CD LYS A 10 -5.017 -6.286 19.243 1.00 0.00 C ATOM 72 CE LYS A 10 -5.125 -6.371 20.769 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.585 -6.476 21.045 1.00 0.00 N ATOM 0 H LYS A 10 -4.512 -3.073 17.216 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.469 -1.926 19.222 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.148 -3.784 20.640 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.563 -4.229 19.706 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.893 -4.726 17.750 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.634 -4.646 18.966 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.953 -6.608 18.786 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.240 -6.963 18.888 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.587 -7.236 21.155 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.695 -5.490 21.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.853 -5.776 21.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.118 -6.294 20.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.805 -7.432 21.391 1.00 0.00 H new ATOM 87 N PRO A 11 -4.460 -1.196 20.709 1.00 0.00 N ATOM 88 CA PRO A 11 -3.382 -0.361 21.301 1.00 0.00 C ATOM 89 C PRO A 11 -2.064 -1.136 21.345 1.00 0.00 C ATOM 90 O PRO A 11 -0.999 -0.574 21.179 1.00 0.00 O ATOM 91 CB PRO A 11 -3.901 -0.050 22.704 1.00 0.00 C ATOM 92 CG PRO A 11 -4.880 -1.139 22.992 1.00 0.00 C ATOM 93 CD PRO A 11 -5.532 -1.459 21.676 1.00 0.00 C ATOM 0 HA PRO A 11 -3.170 0.542 20.728 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.091 -0.042 23.434 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.376 0.931 22.743 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.380 -2.015 23.405 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.618 -0.818 23.727 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.870 -2.494 21.633 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.404 -0.831 21.494 1.00 0.00 H new ATOM 101 N GLU A 12 -2.126 -2.418 21.556 1.00 0.00 N ATOM 102 CA GLU A 12 -0.871 -3.223 21.597 1.00 0.00 C ATOM 103 C GLU A 12 -0.310 -3.370 20.185 1.00 0.00 C ATOM 104 O GLU A 12 0.887 -3.365 19.975 1.00 0.00 O ATOM 105 CB GLU A 12 -1.276 -4.591 22.154 1.00 0.00 C ATOM 106 CG GLU A 12 -2.293 -4.415 23.282 1.00 0.00 C ATOM 107 CD GLU A 12 -2.296 -5.667 24.160 1.00 0.00 C ATOM 108 OE1 GLU A 12 -1.402 -6.481 23.998 1.00 0.00 O ATOM 109 OE2 GLU A 12 -3.193 -5.792 24.977 1.00 0.00 O ATOM 0 H GLU A 12 -2.987 -2.945 21.702 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.102 -2.754 22.211 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.703 -5.204 21.360 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.396 -5.117 22.525 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.042 -3.538 23.880 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.287 -4.245 22.868 1.00 0.00 H new ATOM 116 N ASP A 13 -1.170 -3.485 19.215 1.00 0.00 N ATOM 117 CA ASP A 13 -0.700 -3.612 17.811 1.00 0.00 C ATOM 118 C ASP A 13 -0.418 -2.219 17.269 1.00 0.00 C ATOM 119 O ASP A 13 0.572 -1.981 16.607 1.00 0.00 O ATOM 120 CB ASP A 13 -1.859 -4.269 17.061 1.00 0.00 C ATOM 121 CG ASP A 13 -1.363 -4.808 15.719 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.217 -5.221 15.656 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.139 -4.803 14.778 1.00 0.00 O ATOM 0 H ASP A 13 -2.183 -3.497 19.335 1.00 0.00 H new ATOM 0 HA ASP A 13 0.213 -4.199 17.710 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.278 -5.080 17.657 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.658 -3.545 16.901 1.00 0.00 H new ATOM 128 N LYS A 14 -1.272 -1.286 17.580 1.00 0.00 N ATOM 129 CA LYS A 14 -1.039 0.103 17.119 1.00 0.00 C ATOM 130 C LYS A 14 0.154 0.671 17.885 1.00 0.00 C ATOM 131 O LYS A 14 0.740 1.666 17.505 1.00 0.00 O ATOM 132 CB LYS A 14 -2.320 0.869 17.456 1.00 0.00 C ATOM 133 CG LYS A 14 -2.218 2.300 16.922 1.00 0.00 C ATOM 134 CD LYS A 14 -2.448 3.289 18.066 1.00 0.00 C ATOM 135 CE LYS A 14 -3.497 4.323 17.647 1.00 0.00 C ATOM 136 NZ LYS A 14 -4.500 4.322 18.748 1.00 0.00 N ATOM 0 H LYS A 14 -2.118 -1.427 18.132 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.819 0.170 16.054 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.182 0.367 17.017 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.474 0.883 18.535 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.237 2.464 16.477 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.956 2.459 16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.782 2.758 18.958 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.513 3.788 18.323 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.051 5.309 17.521 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.956 4.056 16.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.114 5.156 18.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.078 3.459 18.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.009 4.350 19.665 1.00 0.00 H new ATOM 150 N ALA A 15 0.532 0.020 18.956 1.00 0.00 N ATOM 151 CA ALA A 15 1.702 0.494 19.741 1.00 0.00 C ATOM 152 C ALA A 15 2.956 0.317 18.893 1.00 0.00 C ATOM 153 O ALA A 15 3.817 1.172 18.846 1.00 0.00 O ATOM 154 CB ALA A 15 1.750 -0.407 20.974 1.00 0.00 C ATOM 0 H ALA A 15 0.078 -0.819 19.317 1.00 0.00 H new ATOM 0 HA ALA A 15 1.633 1.544 20.025 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.591 -0.117 21.604 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.822 -0.303 21.537 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.871 -1.444 20.662 1.00 0.00 H new ATOM 160 N LYS A 16 3.046 -0.782 18.194 1.00 0.00 N ATOM 161 CA LYS A 16 4.222 -1.002 17.319 1.00 0.00 C ATOM 162 C LYS A 16 4.049 -0.131 16.073 1.00 0.00 C ATOM 163 O LYS A 16 5.002 0.277 15.440 1.00 0.00 O ATOM 164 CB LYS A 16 4.208 -2.510 17.005 1.00 0.00 C ATOM 165 CG LYS A 16 3.637 -2.774 15.610 1.00 0.00 C ATOM 166 CD LYS A 16 3.912 -4.225 15.212 1.00 0.00 C ATOM 167 CE LYS A 16 2.917 -5.145 15.923 1.00 0.00 C ATOM 168 NZ LYS A 16 2.916 -6.402 15.123 1.00 0.00 N ATOM 0 H LYS A 16 2.355 -1.533 18.194 1.00 0.00 H new ATOM 0 HA LYS A 16 5.178 -0.729 17.766 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.221 -2.908 17.069 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.612 -3.035 17.751 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.564 -2.581 15.602 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.089 -2.095 14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.823 -4.340 14.132 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.933 -4.500 15.479 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.220 -5.333 16.953 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.923 -4.699 15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.256 -7.084 15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.618 -6.193 14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.874 -6.807 15.112 1.00 0.00 H new ATOM 182 N TYR A 17 2.822 0.175 15.743 1.00 0.00 N ATOM 183 CA TYR A 17 2.558 1.043 14.565 1.00 0.00 C ATOM 184 C TYR A 17 2.956 2.473 14.912 1.00 0.00 C ATOM 185 O TYR A 17 3.423 3.221 14.079 1.00 0.00 O ATOM 186 CB TYR A 17 1.046 0.956 14.331 1.00 0.00 C ATOM 187 CG TYR A 17 0.649 -0.454 13.950 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.614 -1.465 13.863 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.693 -0.744 13.676 1.00 0.00 C ATOM 190 CE1 TYR A 17 1.237 -2.764 13.506 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.071 -2.043 13.314 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.106 -3.054 13.230 1.00 0.00 C ATOM 193 OH TYR A 17 -0.475 -4.335 12.874 1.00 0.00 O ATOM 0 H TYR A 17 1.991 -0.141 16.242 1.00 0.00 H new ATOM 0 HA TYR A 17 3.117 0.739 13.680 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.514 1.259 15.233 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.754 1.648 13.541 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.650 -1.242 14.072 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.438 0.035 13.744 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.981 -3.544 13.443 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.106 -2.265 13.100 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.341 -4.551 13.280 1.00 0.00 H new ATOM 203 N ASP A 18 2.777 2.847 16.150 1.00 0.00 N ATOM 204 CA ASP A 18 3.146 4.224 16.585 1.00 0.00 C ATOM 205 C ASP A 18 4.666 4.345 16.677 1.00 0.00 C ATOM 206 O ASP A 18 5.209 5.425 16.798 1.00 0.00 O ATOM 207 CB ASP A 18 2.512 4.382 17.967 1.00 0.00 C ATOM 208 CG ASP A 18 1.695 5.674 18.016 1.00 0.00 C ATOM 209 OD1 ASP A 18 2.291 6.720 18.216 1.00 0.00 O ATOM 210 OD2 ASP A 18 0.488 5.597 17.855 1.00 0.00 O ATOM 0 H ASP A 18 2.388 2.254 16.883 1.00 0.00 H new ATOM 0 HA ASP A 18 2.802 4.990 15.890 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.871 3.527 18.183 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.287 4.402 18.733 1.00 0.00 H new ATOM 215 N ALA A 19 5.358 3.243 16.594 1.00 0.00 N ATOM 216 CA ALA A 19 6.843 3.288 16.648 1.00 0.00 C ATOM 217 C ALA A 19 7.350 3.426 15.222 1.00 0.00 C ATOM 218 O ALA A 19 8.309 4.118 14.941 1.00 0.00 O ATOM 219 CB ALA A 19 7.268 1.949 17.247 1.00 0.00 C ATOM 0 H ALA A 19 4.956 2.311 16.491 1.00 0.00 H new ATOM 0 HA ALA A 19 7.235 4.116 17.239 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.355 1.911 17.317 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.836 1.842 18.242 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.917 1.137 16.610 1.00 0.00 H new ATOM 225 N ILE A 20 6.667 2.790 14.317 1.00 0.00 N ATOM 226 CA ILE A 20 7.035 2.883 12.891 1.00 0.00 C ATOM 227 C ILE A 20 6.552 4.237 12.379 1.00 0.00 C ATOM 228 O ILE A 20 7.179 4.874 11.555 1.00 0.00 O ATOM 229 CB ILE A 20 6.255 1.746 12.235 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.981 0.418 12.446 1.00 0.00 C ATOM 231 CG2 ILE A 20 6.114 2.021 10.746 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.992 -0.729 12.229 1.00 0.00 C ATOM 0 H ILE A 20 5.857 2.202 14.513 1.00 0.00 H new ATOM 0 HA ILE A 20 8.104 2.804 12.691 1.00 0.00 H new ATOM 0 HB ILE A 20 5.267 1.684 12.690 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.817 0.331 11.752 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.397 0.372 13.453 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.557 1.210 10.277 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.580 2.960 10.598 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.103 2.091 10.294 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.501 -1.681 12.377 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.171 -0.641 12.941 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.598 -0.683 11.214 1.00 0.00 H new ATOM 244 N PHE A 21 5.435 4.677 12.893 1.00 0.00 N ATOM 245 CA PHE A 21 4.876 5.992 12.487 1.00 0.00 C ATOM 246 C PHE A 21 5.760 7.103 13.061 1.00 0.00 C ATOM 247 O PHE A 21 5.946 8.144 12.464 1.00 0.00 O ATOM 248 CB PHE A 21 3.458 6.000 13.091 1.00 0.00 C ATOM 249 CG PHE A 21 3.095 7.365 13.637 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.703 7.833 14.807 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.142 8.152 12.978 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.361 9.090 15.318 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.799 9.409 13.491 1.00 0.00 C ATOM 254 CZ PHE A 21 2.409 9.878 14.661 1.00 0.00 C ATOM 0 H PHE A 21 4.882 4.172 13.585 1.00 0.00 H new ATOM 0 HA PHE A 21 4.841 6.152 11.409 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.735 5.708 12.329 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.397 5.260 13.889 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.436 7.224 15.316 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.672 7.790 12.075 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.832 9.452 16.220 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.064 10.017 12.984 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.145 10.848 15.056 1.00 0.00 H new ATOM 264 N ASP A 22 6.314 6.872 14.217 1.00 0.00 N ATOM 265 CA ASP A 22 7.197 7.892 14.843 1.00 0.00 C ATOM 266 C ASP A 22 8.642 7.685 14.380 1.00 0.00 C ATOM 267 O ASP A 22 9.526 8.450 14.711 1.00 0.00 O ATOM 268 CB ASP A 22 7.070 7.660 16.349 1.00 0.00 C ATOM 269 CG ASP A 22 7.994 8.625 17.094 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.134 9.749 16.640 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.545 8.225 18.106 1.00 0.00 O ATOM 0 H ASP A 22 6.192 6.016 14.758 1.00 0.00 H new ATOM 0 HA ASP A 22 6.918 8.909 14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.038 7.811 16.665 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.330 6.630 16.592 1.00 0.00 H new ATOM 276 N SER A 23 8.885 6.663 13.601 1.00 0.00 N ATOM 277 CA SER A 23 10.267 6.416 13.099 1.00 0.00 C ATOM 278 C SER A 23 10.492 7.238 11.828 1.00 0.00 C ATOM 279 O SER A 23 11.601 7.418 11.370 1.00 0.00 O ATOM 280 CB SER A 23 10.320 4.918 12.796 1.00 0.00 C ATOM 281 OG SER A 23 10.667 4.211 13.979 1.00 0.00 O ATOM 0 H SER A 23 8.185 5.989 13.291 1.00 0.00 H new ATOM 0 HA SER A 23 11.038 6.702 13.815 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.354 4.576 12.425 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.051 4.720 12.012 1.00 0.00 H new ATOM 0 HG SER A 23 9.884 3.725 14.311 1.00 0.00 H new ATOM 287 N LEU A 24 9.428 7.747 11.273 1.00 0.00 N ATOM 288 CA LEU A 24 9.527 8.579 10.041 1.00 0.00 C ATOM 289 C LEU A 24 9.449 10.051 10.436 1.00 0.00 C ATOM 290 O LEU A 24 9.685 10.935 9.637 1.00 0.00 O ATOM 291 CB LEU A 24 8.298 8.216 9.201 1.00 0.00 C ATOM 292 CG LEU A 24 7.977 6.727 9.325 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.535 6.484 8.874 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.928 5.925 8.434 1.00 0.00 C ATOM 0 H LEU A 24 8.480 7.620 11.626 1.00 0.00 H new ATOM 0 HA LEU A 24 10.456 8.408 9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.441 8.806 9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.479 8.468 8.156 1.00 0.00 H new ATOM 0 HG LEU A 24 8.097 6.412 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.301 5.423 8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.855 7.058 9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.421 6.797 7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.700 4.863 8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.806 6.238 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.957 6.102 8.748 1.00 0.00 H new ATOM 306 N SER A 25 9.081 10.296 11.670 1.00 0.00 N ATOM 307 CA SER A 25 8.933 11.697 12.191 1.00 0.00 C ATOM 308 C SER A 25 7.534 12.215 11.854 1.00 0.00 C ATOM 309 O SER A 25 7.268 12.634 10.747 1.00 0.00 O ATOM 310 CB SER A 25 10.006 12.543 11.514 1.00 0.00 C ATOM 311 OG SER A 25 10.391 13.599 12.383 1.00 0.00 O ATOM 0 H SER A 25 8.872 9.570 12.355 1.00 0.00 H new ATOM 0 HA SER A 25 9.053 11.739 13.274 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.870 11.926 11.268 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.627 12.949 10.576 1.00 0.00 H new ATOM 0 HG SER A 25 11.082 14.143 11.951 1.00 0.00 H new ATOM 317 N PRO A 26 6.685 12.146 12.835 1.00 0.00 N ATOM 318 CA PRO A 26 5.279 12.580 12.677 1.00 0.00 C ATOM 319 C PRO A 26 5.181 14.100 12.656 1.00 0.00 C ATOM 320 O PRO A 26 5.956 14.800 13.278 1.00 0.00 O ATOM 321 CB PRO A 26 4.588 12.010 13.906 1.00 0.00 C ATOM 322 CG PRO A 26 5.668 11.859 14.927 1.00 0.00 C ATOM 323 CD PRO A 26 6.965 11.662 14.184 1.00 0.00 C ATOM 0 HA PRO A 26 4.832 12.238 11.743 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.801 12.676 14.260 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.118 11.052 13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.721 12.742 15.564 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.465 11.008 15.578 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.778 12.222 14.647 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.264 10.614 14.177 1.00 0.00 H new ATOM 331 N VAL A 27 4.225 14.608 11.942 1.00 0.00 N ATOM 332 CA VAL A 27 4.048 16.082 11.862 1.00 0.00 C ATOM 333 C VAL A 27 2.683 16.467 12.434 1.00 0.00 C ATOM 334 O VAL A 27 1.656 16.208 11.838 1.00 0.00 O ATOM 335 CB VAL A 27 4.127 16.395 10.370 1.00 0.00 C ATOM 336 CG1 VAL A 27 3.963 17.899 10.152 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.489 15.941 9.834 1.00 0.00 C ATOM 0 H VAL A 27 3.551 14.063 11.404 1.00 0.00 H new ATOM 0 HA VAL A 27 4.795 16.635 12.431 1.00 0.00 H new ATOM 0 HB VAL A 27 3.332 15.869 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.020 18.120 9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.995 18.219 10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.757 18.431 10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.553 16.161 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.282 16.470 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.602 14.868 9.990 1.00 0.00 H new ATOM 347 N ASN A 28 2.663 17.069 13.592 1.00 0.00 N ATOM 348 CA ASN A 28 1.361 17.454 14.207 1.00 0.00 C ATOM 349 C ASN A 28 0.478 16.208 14.354 1.00 0.00 C ATOM 350 O ASN A 28 -0.720 16.293 14.540 1.00 0.00 O ATOM 351 CB ASN A 28 0.748 18.462 13.229 1.00 0.00 C ATOM 352 CG ASN A 28 -0.747 18.618 13.508 1.00 0.00 C ATOM 353 OD1 ASN A 28 -1.140 18.973 14.602 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.604 18.365 12.558 1.00 0.00 N ATOM 0 H ASN A 28 3.490 17.310 14.138 1.00 0.00 H new ATOM 0 HA ASN A 28 1.467 17.884 15.203 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.247 19.426 13.327 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.902 18.126 12.204 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.604 18.465 12.733 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.274 18.067 11.640 1.00 0.00 H new ATOM 361 N GLY A 29 1.074 15.048 14.281 1.00 0.00 N ATOM 362 CA GLY A 29 0.287 13.791 14.421 1.00 0.00 C ATOM 363 C GLY A 29 -0.054 13.243 13.034 1.00 0.00 C ATOM 364 O GLY A 29 -1.117 12.697 12.818 1.00 0.00 O ATOM 0 H GLY A 29 2.074 14.918 14.130 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.858 13.053 14.985 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.627 13.983 14.982 1.00 0.00 H new ATOM 368 N PHE A 30 0.839 13.385 12.092 1.00 0.00 N ATOM 369 CA PHE A 30 0.567 12.871 10.718 1.00 0.00 C ATOM 370 C PHE A 30 1.865 12.488 10.014 1.00 0.00 C ATOM 371 O PHE A 30 2.935 12.951 10.356 1.00 0.00 O ATOM 372 CB PHE A 30 -0.089 14.035 9.977 1.00 0.00 C ATOM 373 CG PHE A 30 -1.446 14.291 10.569 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.540 13.536 10.146 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.606 15.279 11.543 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.806 13.772 10.697 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.865 15.517 12.096 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.968 14.764 11.674 1.00 0.00 C ATOM 0 H PHE A 30 1.746 13.835 12.214 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.061 11.981 10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.531 14.928 10.056 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.179 13.803 8.916 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.411 12.771 9.395 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.755 15.859 11.868 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.655 13.191 10.370 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.989 16.281 12.849 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.943 14.948 12.101 1.00 0.00 H new ATOM 388 N LEU A 31 1.765 11.676 9.004 1.00 0.00 N ATOM 389 CA LEU A 31 2.979 11.288 8.232 1.00 0.00 C ATOM 390 C LEU A 31 2.684 11.475 6.754 1.00 0.00 C ATOM 391 O LEU A 31 1.683 11.014 6.257 1.00 0.00 O ATOM 392 CB LEU A 31 3.232 9.816 8.524 1.00 0.00 C ATOM 393 CG LEU A 31 3.840 9.662 9.915 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.704 8.208 10.368 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.320 10.050 9.865 1.00 0.00 C ATOM 0 H LEU A 31 0.893 11.261 8.676 1.00 0.00 H new ATOM 0 HA LEU A 31 3.847 11.889 8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.298 9.258 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.904 9.398 7.775 1.00 0.00 H new ATOM 0 HG LEU A 31 3.319 10.310 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.137 8.094 11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.650 7.934 10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.228 7.558 9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.758 9.941 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.843 9.400 9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.414 11.086 9.538 1.00 0.00 H new ATOM 407 N SER A 32 3.532 12.151 6.052 1.00 0.00 N ATOM 408 CA SER A 32 3.272 12.374 4.605 1.00 0.00 C ATOM 409 C SER A 32 3.615 11.128 3.793 1.00 0.00 C ATOM 410 O SER A 32 4.599 10.461 4.043 1.00 0.00 O ATOM 411 CB SER A 32 4.171 13.539 4.211 1.00 0.00 C ATOM 412 OG SER A 32 5.479 13.055 3.942 1.00 0.00 O ATOM 0 H SER A 32 4.394 12.561 6.410 1.00 0.00 H new ATOM 0 HA SER A 32 2.221 12.588 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.769 14.042 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.202 14.276 5.013 1.00 0.00 H new ATOM 0 HG SER A 32 6.058 13.803 3.687 1.00 0.00 H new ATOM 418 N GLY A 33 2.805 10.815 2.818 1.00 0.00 N ATOM 419 CA GLY A 33 3.077 9.614 1.976 1.00 0.00 C ATOM 420 C GLY A 33 4.570 9.546 1.658 1.00 0.00 C ATOM 421 O GLY A 33 5.129 8.483 1.473 1.00 0.00 O ATOM 0 H GLY A 33 1.966 11.339 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.764 8.711 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.499 9.664 1.053 1.00 0.00 H new ATOM 425 N ASP A 34 5.224 10.672 1.606 1.00 0.00 N ATOM 426 CA ASP A 34 6.685 10.675 1.310 1.00 0.00 C ATOM 427 C ASP A 34 7.447 9.905 2.392 1.00 0.00 C ATOM 428 O ASP A 34 8.617 9.609 2.251 1.00 0.00 O ATOM 429 CB ASP A 34 7.086 12.148 1.322 1.00 0.00 C ATOM 430 CG ASP A 34 8.390 12.327 0.546 1.00 0.00 C ATOM 431 OD1 ASP A 34 8.389 12.062 -0.645 1.00 0.00 O ATOM 432 OD2 ASP A 34 9.369 12.725 1.156 1.00 0.00 O ATOM 0 H ASP A 34 4.810 11.592 1.756 1.00 0.00 H new ATOM 0 HA ASP A 34 6.914 10.196 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.298 12.754 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.211 12.494 2.348 1.00 0.00 H new ATOM 437 N LYS A 35 6.793 9.578 3.475 1.00 0.00 N ATOM 438 CA LYS A 35 7.474 8.830 4.568 1.00 0.00 C ATOM 439 C LYS A 35 6.814 7.469 4.723 1.00 0.00 C ATOM 440 O LYS A 35 7.453 6.478 5.014 1.00 0.00 O ATOM 441 CB LYS A 35 7.260 9.683 5.814 1.00 0.00 C ATOM 442 CG LYS A 35 7.549 11.143 5.468 1.00 0.00 C ATOM 443 CD LYS A 35 7.116 12.045 6.626 1.00 0.00 C ATOM 444 CE LYS A 35 7.899 11.673 7.887 1.00 0.00 C ATOM 445 NZ LYS A 35 9.189 12.410 7.774 1.00 0.00 N ATOM 0 H LYS A 35 5.812 9.798 3.649 1.00 0.00 H new ATOM 0 HA LYS A 35 8.534 8.659 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.236 9.576 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.916 9.349 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.613 11.276 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.018 11.423 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.292 13.090 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.046 11.936 6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.357 11.962 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.063 10.597 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.903 11.955 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.512 12.395 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.054 13.395 8.079 1.00 0.00 H new ATOM 459 N VAL A 36 5.533 7.422 4.515 1.00 0.00 N ATOM 460 CA VAL A 36 4.805 6.136 4.627 1.00 0.00 C ATOM 461 C VAL A 36 4.908 5.371 3.312 1.00 0.00 C ATOM 462 O VAL A 36 5.005 4.160 3.290 1.00 0.00 O ATOM 463 CB VAL A 36 3.358 6.531 4.879 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.493 5.272 4.920 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.264 7.283 6.207 1.00 0.00 C ATOM 0 H VAL A 36 4.955 8.226 4.270 1.00 0.00 H new ATOM 0 HA VAL A 36 5.205 5.498 5.415 1.00 0.00 H new ATOM 0 HB VAL A 36 3.003 7.180 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.455 5.550 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.568 4.748 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.838 4.619 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.228 7.568 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.613 6.640 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.884 8.178 6.163 1.00 0.00 H new ATOM 475 N LYS A 37 4.885 6.072 2.210 1.00 0.00 N ATOM 476 CA LYS A 37 4.977 5.377 0.899 1.00 0.00 C ATOM 477 C LYS A 37 6.133 4.373 0.914 1.00 0.00 C ATOM 478 O LYS A 37 5.953 3.233 0.535 1.00 0.00 O ATOM 479 CB LYS A 37 5.207 6.474 -0.145 1.00 0.00 C ATOM 480 CG LYS A 37 5.147 5.862 -1.548 1.00 0.00 C ATOM 481 CD LYS A 37 4.312 6.756 -2.468 1.00 0.00 C ATOM 482 CE LYS A 37 5.032 6.922 -3.808 1.00 0.00 C ATOM 483 NZ LYS A 37 4.072 6.413 -4.827 1.00 0.00 N ATOM 0 H LYS A 37 4.807 7.088 2.163 1.00 0.00 H new ATOM 0 HA LYS A 37 4.073 4.811 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.451 7.252 -0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.176 6.947 0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.154 5.751 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.711 4.864 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.327 6.316 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.156 7.730 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.287 7.966 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.964 6.358 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.495 6.494 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.853 5.416 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.197 6.973 -4.790 1.00 0.00 H new ATOM 497 N PRO A 38 7.283 4.809 1.373 1.00 0.00 N ATOM 498 CA PRO A 38 8.445 3.893 1.446 1.00 0.00 C ATOM 499 C PRO A 38 8.172 2.828 2.500 1.00 0.00 C ATOM 500 O PRO A 38 8.616 1.702 2.402 1.00 0.00 O ATOM 501 CB PRO A 38 9.600 4.803 1.854 1.00 0.00 C ATOM 502 CG PRO A 38 8.953 5.966 2.532 1.00 0.00 C ATOM 503 CD PRO A 38 7.618 6.157 1.864 1.00 0.00 C ATOM 0 HA PRO A 38 8.656 3.366 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.290 4.289 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.177 5.123 0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.830 5.775 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.567 6.862 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.868 6.527 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.677 6.878 1.049 1.00 0.00 H new ATOM 511 N VAL A 39 7.425 3.184 3.500 1.00 0.00 N ATOM 512 CA VAL A 39 7.084 2.211 4.572 1.00 0.00 C ATOM 513 C VAL A 39 6.049 1.212 4.048 1.00 0.00 C ATOM 514 O VAL A 39 5.755 0.218 4.682 1.00 0.00 O ATOM 515 CB VAL A 39 6.510 3.075 5.701 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.525 2.268 6.552 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.646 3.580 6.590 1.00 0.00 C ATOM 0 H VAL A 39 7.031 4.117 3.624 1.00 0.00 H new ATOM 0 HA VAL A 39 7.937 1.624 4.911 1.00 0.00 H new ATOM 0 HB VAL A 39 5.983 3.919 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.129 2.899 7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.705 1.917 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.039 1.412 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.235 4.194 7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.177 2.731 7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.337 4.176 5.994 1.00 0.00 H new ATOM 527 N LEU A 40 5.507 1.457 2.895 1.00 0.00 N ATOM 528 CA LEU A 40 4.519 0.501 2.336 1.00 0.00 C ATOM 529 C LEU A 40 5.223 -0.374 1.300 1.00 0.00 C ATOM 530 O LEU A 40 4.734 -1.412 0.903 1.00 0.00 O ATOM 531 CB LEU A 40 3.448 1.363 1.674 1.00 0.00 C ATOM 532 CG LEU A 40 2.701 2.173 2.739 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.632 3.036 2.065 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.027 1.223 3.732 1.00 0.00 C ATOM 0 H LEU A 40 5.703 2.274 2.316 1.00 0.00 H new ATOM 0 HA LEU A 40 4.083 -0.153 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.906 2.035 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.748 0.732 1.126 1.00 0.00 H new ATOM 0 HG LEU A 40 3.410 2.810 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.100 3.613 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.106 3.716 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.927 2.395 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.497 1.803 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.320 0.585 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.784 0.604 4.214 1.00 0.00 H new ATOM 546 N LEU A 41 6.379 0.047 0.864 1.00 0.00 N ATOM 547 CA LEU A 41 7.136 -0.737 -0.145 1.00 0.00 C ATOM 548 C LEU A 41 8.060 -1.732 0.548 1.00 0.00 C ATOM 549 O LEU A 41 8.244 -2.842 0.088 1.00 0.00 O ATOM 550 CB LEU A 41 7.956 0.299 -0.907 1.00 0.00 C ATOM 551 CG LEU A 41 7.032 1.392 -1.431 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.820 2.691 -1.540 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.506 0.994 -2.809 1.00 0.00 C ATOM 0 H LEU A 41 6.833 0.908 1.168 1.00 0.00 H new ATOM 0 HA LEU A 41 6.481 -1.310 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.714 0.731 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.482 -0.175 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 41 6.191 1.527 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.169 3.481 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.200 2.969 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.655 2.553 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.845 1.775 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.343 0.866 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.954 0.057 -2.731 1.00 0.00 H new ATOM 565 N ASN A 42 8.645 -1.354 1.653 1.00 0.00 N ATOM 566 CA ASN A 42 9.550 -2.304 2.349 1.00 0.00 C ATOM 567 C ASN A 42 8.769 -3.572 2.706 1.00 0.00 C ATOM 568 O ASN A 42 9.338 -4.605 2.996 1.00 0.00 O ATOM 569 CB ASN A 42 10.027 -1.573 3.605 1.00 0.00 C ATOM 570 CG ASN A 42 8.882 -1.480 4.607 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.021 -0.514 4.488 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 8.768 -2.295 5.501 1.00 0.00 N flip ATOM 0 H ASN A 42 8.536 -0.442 2.096 1.00 0.00 H new ATOM 0 HA ASN A 42 10.397 -2.608 1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.870 -2.103 4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.379 -0.575 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.446 -3.052 5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.994 -2.222 6.162 1.00 0.00 H new ATOM 579 N SER A 43 7.462 -3.500 2.672 1.00 0.00 N ATOM 580 CA SER A 43 6.637 -4.700 2.992 1.00 0.00 C ATOM 581 C SER A 43 6.700 -5.700 1.832 1.00 0.00 C ATOM 582 O SER A 43 6.124 -6.768 1.888 1.00 0.00 O ATOM 583 CB SER A 43 5.215 -4.173 3.159 1.00 0.00 C ATOM 584 OG SER A 43 5.258 -2.773 3.401 1.00 0.00 O ATOM 0 H SER A 43 6.932 -2.661 2.436 1.00 0.00 H new ATOM 0 HA SER A 43 6.987 -5.216 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.630 -4.381 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.721 -4.682 3.987 1.00 0.00 H new ATOM 0 HG SER A 43 5.701 -2.603 4.259 1.00 0.00 H new ATOM 590 N LYS A 44 7.394 -5.359 0.779 1.00 0.00 N ATOM 591 CA LYS A 44 7.494 -6.284 -0.389 1.00 0.00 C ATOM 592 C LYS A 44 6.138 -6.398 -1.091 1.00 0.00 C ATOM 593 O LYS A 44 5.916 -7.285 -1.892 1.00 0.00 O ATOM 594 CB LYS A 44 7.915 -7.633 0.198 1.00 0.00 C ATOM 595 CG LYS A 44 9.276 -8.034 -0.377 1.00 0.00 C ATOM 596 CD LYS A 44 10.314 -6.976 0.002 1.00 0.00 C ATOM 597 CE LYS A 44 11.710 -7.465 -0.386 1.00 0.00 C ATOM 598 NZ LYS A 44 12.429 -7.636 0.906 1.00 0.00 N ATOM 0 H LYS A 44 7.897 -4.478 0.677 1.00 0.00 H new ATOM 0 HA LYS A 44 8.207 -5.930 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.972 -7.568 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.170 -8.393 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.575 -9.008 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.213 -8.127 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.093 -6.037 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.272 -6.778 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.661 -8.404 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.217 -6.744 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.397 -7.970 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.466 -6.725 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.927 -8.333 1.493 1.00 0.00 H new ATOM 612 N LEU A 45 5.231 -5.506 -0.802 1.00 0.00 N ATOM 613 CA LEU A 45 3.893 -5.563 -1.458 1.00 0.00 C ATOM 614 C LEU A 45 3.894 -4.710 -2.727 1.00 0.00 C ATOM 615 O LEU A 45 4.677 -3.790 -2.859 1.00 0.00 O ATOM 616 CB LEU A 45 2.917 -4.991 -0.428 1.00 0.00 C ATOM 617 CG LEU A 45 2.447 -6.103 0.512 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.591 -5.497 1.627 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.611 -7.119 -0.275 1.00 0.00 C ATOM 0 H LEU A 45 5.358 -4.740 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 45 3.621 -6.576 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.400 -4.199 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.061 -4.543 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 45 3.313 -6.603 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.255 -6.287 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.183 -4.773 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.725 -4.999 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.276 -7.911 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.744 -6.619 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.217 -7.550 -1.072 1.00 0.00 H new ATOM 631 N PRO A 46 3.008 -5.044 -3.622 1.00 0.00 N ATOM 632 CA PRO A 46 2.901 -4.297 -4.893 1.00 0.00 C ATOM 633 C PRO A 46 2.264 -2.922 -4.655 1.00 0.00 C ATOM 634 O PRO A 46 1.530 -2.720 -3.709 1.00 0.00 O ATOM 635 CB PRO A 46 2.018 -5.192 -5.760 1.00 0.00 C ATOM 636 CG PRO A 46 1.227 -6.023 -4.802 1.00 0.00 C ATOM 637 CD PRO A 46 2.032 -6.134 -3.533 1.00 0.00 C ATOM 0 HA PRO A 46 3.864 -4.093 -5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.363 -4.598 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.620 -5.818 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.259 -5.563 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.032 -7.010 -5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.400 -6.030 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.525 -7.103 -3.459 1.00 0.00 H new ATOM 645 N VAL A 47 2.554 -1.973 -5.504 1.00 0.00 N ATOM 646 CA VAL A 47 1.987 -0.602 -5.334 1.00 0.00 C ATOM 647 C VAL A 47 0.453 -0.643 -5.338 1.00 0.00 C ATOM 648 O VAL A 47 -0.194 0.328 -5.001 1.00 0.00 O ATOM 649 CB VAL A 47 2.523 0.204 -6.524 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.646 1.440 -6.755 1.00 0.00 C ATOM 651 CG2 VAL A 47 3.955 0.651 -6.223 1.00 0.00 C ATOM 0 H VAL A 47 3.163 -2.089 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 47 2.275 -0.155 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 47 2.507 -0.419 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.033 2.007 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.623 1.126 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.657 2.066 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.342 1.225 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.962 1.272 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.583 -0.225 -6.062 1.00 0.00 H new ATOM 661 N ASP A 48 -0.138 -1.754 -5.688 1.00 0.00 N ATOM 662 CA ASP A 48 -1.620 -1.828 -5.671 1.00 0.00 C ATOM 663 C ASP A 48 -2.071 -1.863 -4.222 1.00 0.00 C ATOM 664 O ASP A 48 -3.037 -1.233 -3.838 1.00 0.00 O ATOM 665 CB ASP A 48 -1.973 -3.128 -6.373 1.00 0.00 C ATOM 666 CG ASP A 48 -2.869 -2.836 -7.580 1.00 0.00 C ATOM 667 OD1 ASP A 48 -3.978 -2.373 -7.371 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.431 -3.083 -8.692 1.00 0.00 O ATOM 0 H ASP A 48 0.340 -2.605 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.099 -0.981 -6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.065 -3.636 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.484 -3.798 -5.682 1.00 0.00 H new ATOM 673 N ILE A 49 -1.349 -2.577 -3.405 1.00 0.00 N ATOM 674 CA ILE A 49 -1.707 -2.628 -1.967 1.00 0.00 C ATOM 675 C ILE A 49 -1.523 -1.231 -1.399 1.00 0.00 C ATOM 676 O ILE A 49 -2.341 -0.717 -0.662 1.00 0.00 O ATOM 677 CB ILE A 49 -0.706 -3.583 -1.314 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.630 -4.895 -2.095 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.149 -3.870 0.118 1.00 0.00 C ATOM 680 CD1 ILE A 49 -2.029 -5.494 -2.245 1.00 0.00 C ATOM 0 H ILE A 49 -0.531 -3.124 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.731 -2.960 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 49 0.280 -3.118 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.193 -4.718 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.023 -5.599 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.439 -4.550 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.186 -2.937 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.138 -4.327 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.967 -6.429 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.450 -5.687 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.669 -4.794 -2.781 1.00 0.00 H new ATOM 692 N LEU A 50 -0.438 -0.614 -1.769 1.00 0.00 N ATOM 693 CA LEU A 50 -0.149 0.762 -1.298 1.00 0.00 C ATOM 694 C LEU A 50 -1.216 1.715 -1.833 1.00 0.00 C ATOM 695 O LEU A 50 -1.353 2.830 -1.372 1.00 0.00 O ATOM 696 CB LEU A 50 1.226 1.103 -1.885 1.00 0.00 C ATOM 697 CG LEU A 50 2.182 -0.090 -1.738 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.627 0.411 -1.785 1.00 0.00 C ATOM 699 CD2 LEU A 50 1.936 -0.805 -0.404 1.00 0.00 C ATOM 0 H LEU A 50 0.269 -1.013 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.152 0.846 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.124 1.368 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.640 1.974 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 50 2.005 -0.790 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.308 -0.433 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.809 0.909 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.795 1.115 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.620 -1.649 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.105 -0.110 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.908 -1.166 -0.369 1.00 0.00 H new ATOM 711 N GLY A 51 -1.983 1.278 -2.797 1.00 0.00 N ATOM 712 CA GLY A 51 -3.048 2.158 -3.343 1.00 0.00 C ATOM 713 C GLY A 51 -4.273 2.045 -2.441 1.00 0.00 C ATOM 714 O GLY A 51 -4.979 3.006 -2.203 1.00 0.00 O ATOM 0 H GLY A 51 -1.916 0.355 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.702 3.191 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.299 1.863 -4.362 1.00 0.00 H new ATOM 718 N ARG A 52 -4.519 0.873 -1.927 1.00 0.00 N ATOM 719 CA ARG A 52 -5.688 0.685 -1.031 1.00 0.00 C ATOM 720 C ARG A 52 -5.261 0.841 0.420 1.00 0.00 C ATOM 721 O ARG A 52 -5.841 1.603 1.169 1.00 0.00 O ATOM 722 CB ARG A 52 -6.171 -0.739 -1.289 1.00 0.00 C ATOM 723 CG ARG A 52 -7.218 -0.734 -2.402 1.00 0.00 C ATOM 724 CD ARG A 52 -7.237 -2.100 -3.095 1.00 0.00 C ATOM 725 NE ARG A 52 -6.290 -1.970 -4.236 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.731 -1.623 -5.415 1.00 0.00 C ATOM 727 NH1 ARG A 52 -6.964 -0.369 -5.682 1.00 0.00 N ATOM 728 NH2 ARG A 52 -6.939 -2.532 -6.327 1.00 0.00 N ATOM 0 H ARG A 52 -3.958 0.037 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.471 1.419 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.330 -1.373 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.597 -1.160 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.202 -0.511 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.991 0.049 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.927 -2.892 -2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.239 -2.352 -3.441 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.296 -2.152 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.802 0.343 -4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.308 -0.099 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.757 -3.514 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.284 -2.261 -7.248 1.00 0.00 H new ATOM 742 N VAL A 53 -4.251 0.127 0.826 1.00 0.00 N ATOM 743 CA VAL A 53 -3.794 0.240 2.231 1.00 0.00 C ATOM 744 C VAL A 53 -3.749 1.711 2.638 1.00 0.00 C ATOM 745 O VAL A 53 -4.292 2.091 3.652 1.00 0.00 O ATOM 746 CB VAL A 53 -2.402 -0.383 2.250 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.674 0.033 3.529 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.540 -1.905 2.211 1.00 0.00 C ATOM 0 H VAL A 53 -3.725 -0.527 0.246 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.459 -0.262 2.933 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.832 -0.042 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.679 -0.412 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.586 1.119 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.237 -0.311 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.550 -2.361 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.106 -2.241 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.063 -2.200 1.301 1.00 0.00 H new ATOM 758 N TRP A 54 -3.123 2.547 1.852 1.00 0.00 N ATOM 759 CA TRP A 54 -3.075 3.993 2.212 1.00 0.00 C ATOM 760 C TRP A 54 -4.473 4.598 2.146 1.00 0.00 C ATOM 761 O TRP A 54 -4.967 5.141 3.106 1.00 0.00 O ATOM 762 CB TRP A 54 -2.177 4.669 1.176 1.00 0.00 C ATOM 763 CG TRP A 54 -2.332 6.154 1.313 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.404 6.866 0.890 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.424 7.109 1.929 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.203 8.203 1.201 1.00 0.00 N ATOM 767 CE2 TRP A 54 -1.993 8.401 1.839 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.170 6.979 2.547 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.339 9.526 2.344 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.491 8.105 3.058 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.090 9.377 2.956 1.00 0.00 C ATOM 0 H TRP A 54 -2.648 2.294 0.986 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.695 4.131 3.224 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.137 4.380 1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.451 4.350 0.170 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.272 6.460 0.393 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.866 8.948 0.986 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.289 6.005 2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.793 10.503 2.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.454 7.992 3.533 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.426 10.240 3.349 1.00 0.00 H new ATOM 782 N GLU A 55 -5.115 4.521 1.018 1.00 0.00 N ATOM 783 CA GLU A 55 -6.475 5.112 0.916 1.00 0.00 C ATOM 784 C GLU A 55 -7.352 4.544 2.029 1.00 0.00 C ATOM 785 O GLU A 55 -8.149 5.234 2.632 1.00 0.00 O ATOM 786 CB GLU A 55 -6.966 4.721 -0.484 1.00 0.00 C ATOM 787 CG GLU A 55 -7.889 3.510 -0.416 1.00 0.00 C ATOM 788 CD GLU A 55 -8.511 3.261 -1.791 1.00 0.00 C ATOM 789 OE1 GLU A 55 -7.910 2.536 -2.569 1.00 0.00 O ATOM 790 OE2 GLU A 55 -9.574 3.803 -2.045 1.00 0.00 O ATOM 0 H GLU A 55 -4.762 4.079 0.169 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.497 6.195 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.493 5.561 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.113 4.498 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.330 2.631 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.672 3.678 0.323 1.00 0.00 H new ATOM 797 N LEU A 56 -7.187 3.286 2.311 1.00 0.00 N ATOM 798 CA LEU A 56 -7.984 2.652 3.396 1.00 0.00 C ATOM 799 C LEU A 56 -7.341 2.971 4.754 1.00 0.00 C ATOM 800 O LEU A 56 -7.945 2.803 5.794 1.00 0.00 O ATOM 801 CB LEU A 56 -7.931 1.150 3.101 1.00 0.00 C ATOM 802 CG LEU A 56 -8.629 0.861 1.765 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.533 -0.632 1.451 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.106 1.265 1.849 1.00 0.00 C ATOM 0 H LEU A 56 -6.532 2.665 1.836 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.012 3.013 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.895 0.814 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.416 0.594 3.904 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.141 1.435 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.029 -0.837 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.485 -0.923 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.017 -1.202 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.595 1.057 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.594 0.696 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.180 2.330 2.070 1.00 0.00 H new ATOM 816 N SER A 57 -6.116 3.440 4.744 1.00 0.00 N ATOM 817 CA SER A 57 -5.420 3.787 6.025 1.00 0.00 C ATOM 818 C SER A 57 -5.526 5.287 6.292 1.00 0.00 C ATOM 819 O SER A 57 -5.642 5.726 7.418 1.00 0.00 O ATOM 820 CB SER A 57 -3.962 3.404 5.805 1.00 0.00 C ATOM 821 OG SER A 57 -3.819 1.997 5.944 1.00 0.00 O ATOM 0 H SER A 57 -5.565 3.598 3.900 1.00 0.00 H new ATOM 0 HA SER A 57 -5.858 3.270 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.638 3.718 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.326 3.918 6.526 1.00 0.00 H new ATOM 0 HG SER A 57 -3.770 1.584 5.057 1.00 0.00 H new ATOM 827 N ASP A 58 -5.488 6.075 5.255 1.00 0.00 N ATOM 828 CA ASP A 58 -5.588 7.547 5.423 1.00 0.00 C ATOM 829 C ASP A 58 -7.033 7.907 5.727 1.00 0.00 C ATOM 830 O ASP A 58 -7.724 8.487 4.915 1.00 0.00 O ATOM 831 CB ASP A 58 -5.147 8.133 4.082 1.00 0.00 C ATOM 832 CG ASP A 58 -4.605 9.546 4.297 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.719 10.039 5.406 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.083 10.111 3.349 1.00 0.00 O ATOM 0 H ASP A 58 -5.391 5.757 4.291 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.974 7.930 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.380 7.502 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.988 8.156 3.389 1.00 0.00 H new ATOM 839 N ILE A 59 -7.490 7.540 6.888 1.00 0.00 N ATOM 840 CA ILE A 59 -8.897 7.823 7.277 1.00 0.00 C ATOM 841 C ILE A 59 -9.363 9.164 6.710 1.00 0.00 C ATOM 842 O ILE A 59 -10.527 9.349 6.414 1.00 0.00 O ATOM 843 CB ILE A 59 -8.877 7.873 8.800 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.522 6.489 9.357 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.257 8.291 9.306 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.527 5.457 8.841 1.00 0.00 C ATOM 0 H ILE A 59 -6.941 7.049 7.594 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.583 7.068 6.892 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.131 8.594 9.133 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.512 6.212 9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.534 6.510 10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.249 8.329 10.395 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.507 9.276 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.001 7.567 8.973 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.274 4.473 9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.530 5.732 9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.493 5.429 7.752 1.00 0.00 H new ATOM 858 N ASP A 60 -8.474 10.104 6.560 1.00 0.00 N ATOM 859 CA ASP A 60 -8.897 11.428 6.017 1.00 0.00 C ATOM 860 C ASP A 60 -8.459 11.598 4.556 1.00 0.00 C ATOM 861 O ASP A 60 -8.957 12.454 3.853 1.00 0.00 O ATOM 862 CB ASP A 60 -8.232 12.466 6.923 1.00 0.00 C ATOM 863 CG ASP A 60 -6.747 12.590 6.581 1.00 0.00 C ATOM 864 OD1 ASP A 60 -6.237 11.716 5.903 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.144 13.560 7.010 1.00 0.00 O ATOM 0 H ASP A 60 -7.483 10.017 6.786 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.982 11.534 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.722 13.432 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.349 12.177 7.967 1.00 0.00 H new ATOM 870 N HIS A 61 -7.540 10.798 4.087 1.00 0.00 N ATOM 871 CA HIS A 61 -7.096 10.938 2.666 1.00 0.00 C ATOM 872 C HIS A 61 -6.564 12.353 2.435 1.00 0.00 C ATOM 873 O HIS A 61 -6.665 12.896 1.354 1.00 0.00 O ATOM 874 CB HIS A 61 -8.341 10.701 1.790 1.00 0.00 C ATOM 875 CG HIS A 61 -9.375 9.886 2.524 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.370 8.594 2.984 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -10.614 10.403 2.863 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -10.586 8.310 3.598 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -11.299 9.434 3.497 1.00 0.00 N flip ATOM 0 H HIS A 61 -7.080 10.059 4.619 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.304 10.229 2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.770 11.659 1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.052 10.187 0.873 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.593 7.940 2.890 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.967 11.403 2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.888 7.380 4.057 1.00 0.00 H new ATOM 887 N ASP A 62 -6.007 12.954 3.447 1.00 0.00 N ATOM 888 CA ASP A 62 -5.475 14.337 3.296 1.00 0.00 C ATOM 889 C ASP A 62 -4.057 14.294 2.722 1.00 0.00 C ATOM 890 O ASP A 62 -3.507 15.300 2.318 1.00 0.00 O ATOM 891 CB ASP A 62 -5.482 14.909 4.714 1.00 0.00 C ATOM 892 CG ASP A 62 -4.262 14.401 5.489 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.204 13.212 5.752 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.408 15.212 5.806 1.00 0.00 O ATOM 0 H ASP A 62 -5.896 12.547 4.376 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.066 14.946 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.471 15.998 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.398 14.617 5.228 1.00 0.00 H new ATOM 899 N GLY A 63 -3.463 13.134 2.683 1.00 0.00 N ATOM 900 CA GLY A 63 -2.082 13.019 2.135 1.00 0.00 C ATOM 901 C GLY A 63 -1.133 12.548 3.236 1.00 0.00 C ATOM 902 O GLY A 63 0.066 12.470 3.045 1.00 0.00 O ATOM 0 H GLY A 63 -3.875 12.259 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.067 12.316 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.753 13.982 1.744 1.00 0.00 H new ATOM 906 N MET A 64 -1.656 12.228 4.387 1.00 0.00 N ATOM 907 CA MET A 64 -0.781 11.756 5.498 1.00 0.00 C ATOM 908 C MET A 64 -1.549 10.788 6.399 1.00 0.00 C ATOM 909 O MET A 64 -2.761 10.764 6.406 1.00 0.00 O ATOM 910 CB MET A 64 -0.384 13.002 6.306 1.00 0.00 C ATOM 911 CG MET A 64 -0.361 14.244 5.416 1.00 0.00 C ATOM 912 SD MET A 64 0.445 15.600 6.303 1.00 0.00 S ATOM 913 CE MET A 64 2.041 14.789 6.563 1.00 0.00 C ATOM 0 H MET A 64 -2.651 12.273 4.607 1.00 0.00 H new ATOM 0 HA MET A 64 0.094 11.236 5.109 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.088 13.149 7.125 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.598 12.852 6.754 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.173 14.032 4.490 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.377 14.527 5.141 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.836 15.534 6.540 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.041 14.288 7.531 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.209 14.055 5.775 1.00 0.00 H new ATOM 923 N LEU A 65 -0.856 9.999 7.171 1.00 0.00 N ATOM 924 CA LEU A 65 -1.554 9.047 8.081 1.00 0.00 C ATOM 925 C LEU A 65 -1.257 9.418 9.534 1.00 0.00 C ATOM 926 O LEU A 65 -0.128 9.340 9.981 1.00 0.00 O ATOM 927 CB LEU A 65 -0.959 7.674 7.765 1.00 0.00 C ATOM 928 CG LEU A 65 -1.328 7.260 6.344 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.286 6.270 5.819 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.704 6.597 6.358 1.00 0.00 C ATOM 0 H LEU A 65 0.163 9.972 7.212 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.635 9.064 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.125 7.705 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.330 6.935 8.476 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.352 8.137 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.547 5.972 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.696 6.742 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.265 5.390 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.974 6.298 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.677 5.717 7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.444 7.302 6.738 1.00 0.00 H new ATOM 942 N ASP A 66 -2.248 9.814 10.280 1.00 0.00 N ATOM 943 CA ASP A 66 -1.988 10.174 11.700 1.00 0.00 C ATOM 944 C ASP A 66 -1.636 8.922 12.494 1.00 0.00 C ATOM 945 O ASP A 66 -1.748 7.812 12.012 1.00 0.00 O ATOM 946 CB ASP A 66 -3.289 10.787 12.218 1.00 0.00 C ATOM 947 CG ASP A 66 -3.285 10.803 13.748 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.276 11.195 14.312 1.00 0.00 O ATOM 949 OD2 ASP A 66 -4.287 10.421 14.329 1.00 0.00 O ATOM 0 H ASP A 66 -3.217 9.904 9.973 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.154 10.869 11.799 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.401 11.802 11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.141 10.214 11.854 1.00 0.00 H new ATOM 954 N ARG A 67 -1.211 9.097 13.705 1.00 0.00 N ATOM 955 CA ARG A 67 -0.845 7.922 14.546 1.00 0.00 C ATOM 956 C ARG A 67 -1.919 6.835 14.452 1.00 0.00 C ATOM 957 O ARG A 67 -1.621 5.662 14.354 1.00 0.00 O ATOM 958 CB ARG A 67 -0.760 8.468 15.969 1.00 0.00 C ATOM 959 CG ARG A 67 -2.149 8.895 16.441 1.00 0.00 C ATOM 960 CD ARG A 67 -2.014 9.765 17.690 1.00 0.00 C ATOM 961 NE ARG A 67 -1.326 8.900 18.687 1.00 0.00 N ATOM 962 CZ ARG A 67 -1.687 8.931 19.938 1.00 0.00 C ATOM 963 NH1 ARG A 67 -1.671 10.060 20.591 1.00 0.00 N ATOM 964 NH2 ARG A 67 -2.067 7.835 20.536 1.00 0.00 N ATOM 0 H ARG A 67 -1.099 10.005 14.156 1.00 0.00 H new ATOM 0 HA ARG A 67 0.091 7.464 14.224 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.356 7.707 16.637 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.077 9.317 16.003 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.659 9.448 15.652 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.757 8.017 16.660 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.436 10.666 17.483 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.989 10.088 18.054 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.571 8.282 18.390 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.376 10.916 20.122 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.953 10.087 21.571 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.081 6.953 20.024 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.350 7.860 21.516 1.00 0.00 H new ATOM 978 N ASP A 68 -3.163 7.215 14.487 1.00 0.00 N ATOM 979 CA ASP A 68 -4.257 6.204 14.406 1.00 0.00 C ATOM 980 C ASP A 68 -4.460 5.755 12.958 1.00 0.00 C ATOM 981 O ASP A 68 -4.779 4.614 12.691 1.00 0.00 O ATOM 982 CB ASP A 68 -5.501 6.925 14.928 1.00 0.00 C ATOM 983 CG ASP A 68 -5.926 6.314 16.263 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.253 6.570 17.248 1.00 0.00 O ATOM 985 OD2 ASP A 68 -6.914 5.599 16.280 1.00 0.00 O ATOM 0 H ASP A 68 -3.473 8.183 14.568 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.034 5.307 14.984 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.292 7.987 15.053 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.312 6.843 14.204 1.00 0.00 H new ATOM 990 N GLU A 69 -4.269 6.638 12.020 1.00 0.00 N ATOM 991 CA GLU A 69 -4.444 6.244 10.592 1.00 0.00 C ATOM 992 C GLU A 69 -3.253 5.395 10.156 1.00 0.00 C ATOM 993 O GLU A 69 -3.400 4.383 9.501 1.00 0.00 O ATOM 994 CB GLU A 69 -4.488 7.558 9.816 1.00 0.00 C ATOM 995 CG GLU A 69 -5.574 8.454 10.410 1.00 0.00 C ATOM 996 CD GLU A 69 -5.851 9.623 9.465 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.905 9.393 8.269 1.00 0.00 O ATOM 998 OE2 GLU A 69 -6.008 10.730 9.954 1.00 0.00 O ATOM 0 H GLU A 69 -4.001 7.610 12.176 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.345 5.654 10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.520 8.057 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.693 7.366 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.486 7.879 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.258 8.828 11.384 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.072 5.796 10.533 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.867 5.009 10.165 1.00 0.00 C ATOM 1007 C PHE A 70 -0.973 3.610 10.769 1.00 0.00 C ATOM 1008 O PHE A 70 -0.350 2.673 10.311 1.00 0.00 O ATOM 1009 CB PHE A 70 0.304 5.777 10.778 1.00 0.00 C ATOM 1010 CG PHE A 70 1.602 5.234 10.236 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.093 4.001 10.687 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.315 5.964 9.279 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.298 3.502 10.179 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.517 5.463 8.771 1.00 0.00 C ATOM 1015 CZ PHE A 70 4.008 4.234 9.221 1.00 0.00 C ATOM 0 H PHE A 70 -1.890 6.637 11.081 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.749 4.889 9.088 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.217 6.839 10.547 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.284 5.685 11.864 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.542 3.437 11.425 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.937 6.915 8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.679 2.553 10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.066 6.026 8.031 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.937 3.849 8.828 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.772 3.460 11.792 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.931 2.116 12.419 1.00 0.00 C ATOM 1027 C ALA A 71 -2.759 1.221 11.500 1.00 0.00 C ATOM 1028 O ALA A 71 -2.470 0.055 11.320 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.676 2.373 13.727 1.00 0.00 C ATOM 0 H ALA A 71 -2.319 4.207 12.219 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.977 1.617 12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.832 1.429 14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.088 3.042 14.355 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.641 2.832 13.512 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.782 1.771 10.912 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.634 0.973 9.990 1.00 0.00 C ATOM 1037 C VAL A 72 -3.798 0.520 8.792 1.00 0.00 C ATOM 1038 O VAL A 72 -4.072 -0.488 8.171 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.734 1.937 9.539 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.698 1.212 8.597 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.499 2.450 10.765 1.00 0.00 C ATOM 0 H VAL A 72 -4.066 2.743 11.031 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.045 0.080 10.460 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.284 2.780 9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.480 1.900 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.152 0.852 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.149 0.367 9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.282 3.137 10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.948 1.608 11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.811 2.970 11.431 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.780 1.267 8.465 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.916 0.901 7.308 1.00 0.00 C ATOM 1053 C ALA A 73 -0.746 0.018 7.758 1.00 0.00 C ATOM 1054 O ALA A 73 0.026 -0.459 6.950 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.405 2.236 6.776 1.00 0.00 C ATOM 0 H ALA A 73 -2.508 2.121 8.953 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.458 0.331 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.757 2.061 5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.250 2.854 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.843 2.748 7.557 1.00 0.00 H new ATOM 1061 N MET A 74 -0.604 -0.205 9.036 1.00 0.00 N ATOM 1062 CA MET A 74 0.519 -1.059 9.520 1.00 0.00 C ATOM 1063 C MET A 74 0.113 -2.526 9.449 1.00 0.00 C ATOM 1064 O MET A 74 0.812 -3.348 8.891 1.00 0.00 O ATOM 1065 CB MET A 74 0.754 -0.627 10.968 1.00 0.00 C ATOM 1066 CG MET A 74 1.717 0.559 10.997 1.00 0.00 C ATOM 1067 SD MET A 74 3.412 -0.037 10.797 1.00 0.00 S ATOM 1068 CE MET A 74 3.535 0.238 9.014 1.00 0.00 C ATOM 0 H MET A 74 -1.215 0.166 9.764 1.00 0.00 H new ATOM 0 HA MET A 74 1.422 -0.947 8.920 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.192 -0.352 11.435 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.165 -1.456 11.544 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.471 1.261 10.200 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.618 1.098 11.939 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.856 -0.682 8.525 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.562 0.536 8.624 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.262 1.026 8.817 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.027 -2.857 9.981 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.483 -4.269 9.906 1.00 0.00 C ATOM 1080 C PHE A 75 -1.906 -4.533 8.462 1.00 0.00 C ATOM 1081 O PHE A 75 -1.758 -5.618 7.939 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.662 -4.378 10.887 1.00 0.00 C ATOM 1083 CG PHE A 75 -3.951 -4.018 10.192 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.618 -4.976 9.422 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.468 -2.726 10.309 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -5.806 -4.640 8.766 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.655 -2.390 9.657 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.326 -3.348 8.883 1.00 0.00 C ATOM 0 H PHE A 75 -1.659 -2.216 10.461 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.720 -5.001 10.172 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.724 -5.392 11.282 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.501 -3.715 11.737 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.216 -5.974 9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.950 -1.988 10.903 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.321 -5.378 8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.057 -1.392 9.748 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.244 -3.087 8.378 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.403 -3.513 7.814 1.00 0.00 N ATOM 1099 CA LEU A 76 -2.810 -3.649 6.392 1.00 0.00 C ATOM 1100 C LEU A 76 -1.580 -4.020 5.571 1.00 0.00 C ATOM 1101 O LEU A 76 -1.661 -4.709 4.576 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.322 -2.262 6.000 1.00 0.00 C ATOM 1103 CG LEU A 76 -4.828 -2.167 6.261 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.359 -0.845 5.703 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.544 -3.332 5.574 1.00 0.00 C ATOM 0 H LEU A 76 -2.544 -2.586 8.215 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.567 -4.415 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.797 -1.497 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.114 -2.073 4.947 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.012 -2.211 7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.431 -0.776 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.852 -0.014 6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.173 -0.802 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.615 -3.262 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.360 -3.290 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.167 -4.275 5.970 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.437 -3.559 5.997 1.00 0.00 N ATOM 1118 CA VAL A 77 0.820 -3.867 5.270 1.00 0.00 C ATOM 1119 C VAL A 77 1.475 -5.117 5.840 1.00 0.00 C ATOM 1120 O VAL A 77 1.973 -5.947 5.112 1.00 0.00 O ATOM 1121 CB VAL A 77 1.711 -2.646 5.497 1.00 0.00 C ATOM 1122 CG1 VAL A 77 3.141 -2.963 5.052 1.00 0.00 C ATOM 1123 CG2 VAL A 77 1.172 -1.468 4.687 1.00 0.00 C ATOM 0 H VAL A 77 -0.322 -2.976 6.826 1.00 0.00 H new ATOM 0 HA VAL A 77 0.646 -4.060 4.211 1.00 0.00 H new ATOM 0 HB VAL A 77 1.713 -2.389 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.774 -2.091 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.524 -3.803 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.144 -3.221 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.806 -0.596 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.170 -1.725 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.155 -1.241 5.007 1.00 0.00 H new ATOM 1133 N TYR A 78 1.493 -5.247 7.137 1.00 0.00 N ATOM 1134 CA TYR A 78 2.136 -6.438 7.755 1.00 0.00 C ATOM 1135 C TYR A 78 1.263 -7.678 7.580 1.00 0.00 C ATOM 1136 O TYR A 78 1.753 -8.756 7.306 1.00 0.00 O ATOM 1137 CB TYR A 78 2.282 -6.088 9.232 1.00 0.00 C ATOM 1138 CG TYR A 78 3.711 -5.702 9.498 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.745 -6.567 9.126 1.00 0.00 C ATOM 1140 CD2 TYR A 78 4.004 -4.478 10.110 1.00 0.00 C ATOM 1141 CE1 TYR A 78 6.075 -6.209 9.366 1.00 0.00 C ATOM 1142 CE2 TYR A 78 5.332 -4.119 10.351 1.00 0.00 C ATOM 1143 CZ TYR A 78 6.370 -4.984 9.980 1.00 0.00 C ATOM 1144 OH TYR A 78 7.682 -4.631 10.218 1.00 0.00 O ATOM 0 H TYR A 78 1.090 -4.580 7.795 1.00 0.00 H new ATOM 0 HA TYR A 78 3.095 -6.668 7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.614 -5.267 9.493 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.999 -6.939 9.852 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.516 -7.511 8.654 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.204 -3.811 10.396 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.874 -6.876 9.079 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.559 -3.175 10.823 1.00 0.00 H new ATOM 0 HH TYR A 78 7.711 -3.751 10.649 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.022 -7.544 7.728 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.898 -8.728 7.560 1.00 0.00 C ATOM 1156 C CYS A 79 -1.050 -9.030 6.075 1.00 0.00 C ATOM 1157 O CYS A 79 -1.463 -10.106 5.689 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.242 -8.338 8.176 1.00 0.00 C ATOM 1159 SG CYS A 79 -2.002 -7.887 9.912 1.00 0.00 S ATOM 0 H CYS A 79 -0.500 -6.672 7.956 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.494 -9.620 8.038 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.676 -7.501 7.628 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.944 -9.168 8.099 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.144 -7.553 10.436 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.685 -8.103 5.231 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.778 -8.374 3.779 1.00 0.00 C ATOM 1167 C ALA A 80 0.406 -9.255 3.391 1.00 0.00 C ATOM 1168 O ALA A 80 0.472 -9.801 2.307 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.686 -7.009 3.098 1.00 0.00 C ATOM 0 H ALA A 80 -0.331 -7.181 5.486 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.697 -8.884 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.748 -7.137 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.507 -6.377 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.263 -6.538 3.353 1.00 0.00 H new ATOM 1175 N LEU A 81 1.343 -9.391 4.290 1.00 0.00 N ATOM 1176 CA LEU A 81 2.540 -10.226 4.018 1.00 0.00 C ATOM 1177 C LEU A 81 2.292 -11.657 4.481 1.00 0.00 C ATOM 1178 O LEU A 81 2.535 -12.609 3.766 1.00 0.00 O ATOM 1179 CB LEU A 81 3.661 -9.599 4.856 1.00 0.00 C ATOM 1180 CG LEU A 81 3.565 -8.075 4.823 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.891 -7.470 5.286 1.00 0.00 C ATOM 1182 CD2 LEU A 81 3.261 -7.607 3.398 1.00 0.00 C ATOM 0 H LEU A 81 1.327 -8.953 5.211 1.00 0.00 H new ATOM 0 HA LEU A 81 2.785 -10.259 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.594 -9.951 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.631 -9.917 4.473 1.00 0.00 H new ATOM 0 HG LEU A 81 2.764 -7.750 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.823 -6.382 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.105 -7.798 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.692 -7.798 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.193 -6.519 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.058 -7.933 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.314 -8.035 3.069 1.00 0.00 H new ATOM 1194 N GLU A 82 1.838 -11.813 5.692 1.00 0.00 N ATOM 1195 CA GLU A 82 1.609 -13.188 6.228 1.00 0.00 C ATOM 1196 C GLU A 82 0.253 -13.298 6.932 1.00 0.00 C ATOM 1197 O GLU A 82 0.139 -13.953 7.949 1.00 0.00 O ATOM 1198 CB GLU A 82 2.726 -13.419 7.256 1.00 0.00 C ATOM 1199 CG GLU A 82 3.936 -12.522 6.961 1.00 0.00 C ATOM 1200 CD GLU A 82 5.168 -13.072 7.683 1.00 0.00 C ATOM 1201 OE1 GLU A 82 5.385 -12.692 8.821 1.00 0.00 O ATOM 1202 OE2 GLU A 82 5.877 -13.866 7.083 1.00 0.00 O ATOM 0 H GLU A 82 1.615 -11.052 6.334 1.00 0.00 H new ATOM 0 HA GLU A 82 1.614 -13.920 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.351 -13.213 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.031 -14.465 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.119 -12.481 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.734 -11.502 7.289 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.707 -6.889 1.298 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.303 -5.539 1.488 1.00 0.00 C ATOM 1262 C VAL A 86 -7.648 -5.466 0.764 1.00 0.00 C ATOM 1263 O VAL A 86 -7.818 -6.056 -0.285 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.301 -4.576 0.857 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.665 -3.139 1.230 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -3.897 -4.901 1.373 1.00 0.00 C ATOM 0 HA VAL A 86 -6.486 -5.303 2.536 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.326 -4.682 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.948 -2.453 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.666 -2.911 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.641 -3.027 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.177 -4.216 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.874 -4.794 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.639 -5.925 1.104 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.563 -4.743 1.348 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.897 -4.592 0.754 1.00 0.00 C ATOM 1278 C PRO A 87 -9.896 -3.421 -0.223 1.00 0.00 C ATOM 1279 O PRO A 87 -8.859 -2.974 -0.671 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.786 -4.311 1.958 1.00 0.00 C ATOM 1281 CG PRO A 87 -9.881 -3.731 3.007 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.449 -4.000 2.601 1.00 0.00 C ATOM 0 HA PRO A 87 -10.230 -5.461 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.584 -3.614 1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.263 -5.224 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.053 -2.659 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.091 -4.178 3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.893 -3.072 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.922 -4.578 3.360 1.00 0.00 H new ATOM 1290 N MET A 88 -11.045 -2.926 -0.564 1.00 0.00 N ATOM 1291 CA MET A 88 -11.099 -1.790 -1.523 1.00 0.00 C ATOM 1292 C MET A 88 -11.965 -0.653 -0.976 1.00 0.00 C ATOM 1293 O MET A 88 -12.318 0.264 -1.691 1.00 0.00 O ATOM 1294 CB MET A 88 -11.725 -2.382 -2.781 1.00 0.00 C ATOM 1295 CG MET A 88 -10.761 -3.400 -3.393 1.00 0.00 C ATOM 1296 SD MET A 88 -11.696 -4.812 -4.029 1.00 0.00 S ATOM 1297 CE MET A 88 -10.835 -6.095 -3.088 1.00 0.00 C ATOM 0 H MET A 88 -11.949 -3.255 -0.224 1.00 0.00 H new ATOM 0 HA MET A 88 -10.114 -1.362 -1.708 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.673 -2.862 -2.538 1.00 0.00 H new ATOM 0 HB3 MET A 88 -11.942 -1.592 -3.500 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.189 -2.937 -4.197 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.044 -3.734 -2.643 1.00 0.00 H new ATOM 0 HE1 MET A 88 -11.259 -7.070 -3.330 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.776 -6.086 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.951 -5.904 -2.021 1.00 0.00 H new ATOM 1307 N SER A 89 -12.313 -0.696 0.279 1.00 0.00 N ATOM 1308 CA SER A 89 -13.157 0.404 0.835 1.00 0.00 C ATOM 1309 C SER A 89 -13.174 0.372 2.353 1.00 0.00 C ATOM 1310 O SER A 89 -14.069 0.886 2.994 1.00 0.00 O ATOM 1311 CB SER A 89 -14.542 0.141 0.280 1.00 0.00 C ATOM 1312 OG SER A 89 -15.480 0.993 0.924 1.00 0.00 O ATOM 0 H SER A 89 -12.056 -1.432 0.937 1.00 0.00 H new ATOM 0 HA SER A 89 -12.776 1.387 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.554 0.317 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.816 -0.903 0.436 1.00 0.00 H new ATOM 0 HG SER A 89 -15.058 1.416 1.701 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.176 -0.207 2.917 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.079 -0.275 4.404 1.00 0.00 C ATOM 1320 C LEU A 90 -13.337 -0.905 5.008 1.00 0.00 C ATOM 1321 O LEU A 90 -14.416 -0.356 4.907 1.00 0.00 O ATOM 1322 CB LEU A 90 -11.972 1.185 4.850 1.00 0.00 C ATOM 1323 CG LEU A 90 -10.578 1.469 5.412 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.587 2.817 6.132 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.187 0.373 6.405 1.00 0.00 C ATOM 0 H LEU A 90 -11.404 -0.647 2.415 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.234 -0.884 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.173 1.845 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.727 1.397 5.607 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.859 1.491 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.595 3.022 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.863 3.603 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.310 2.789 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.193 0.580 6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.907 0.349 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.181 -0.592 5.898 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.156 -2.028 5.644 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.295 -2.712 6.294 1.00 0.00 C ATOM 1339 C PRO A 91 -14.700 -1.932 7.550 1.00 0.00 C ATOM 1340 O PRO A 91 -14.059 -0.961 7.903 1.00 0.00 O ATOM 1341 CB PRO A 91 -13.739 -4.089 6.640 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.260 -3.895 6.738 1.00 0.00 C ATOM 1343 CD PRO A 91 -11.897 -2.756 5.819 1.00 0.00 C ATOM 0 HA PRO A 91 -15.187 -2.782 5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.152 -4.457 7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.991 -4.821 5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.969 -3.669 7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.733 -4.805 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.126 -2.121 6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.510 -3.119 4.867 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.760 -2.363 8.174 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.255 -1.667 9.388 1.00 0.00 C ATOM 1353 C PRO A 92 -15.370 -1.952 10.603 1.00 0.00 C ATOM 1354 O PRO A 92 -15.378 -1.217 11.570 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.652 -2.243 9.586 1.00 0.00 C ATOM 1356 CG PRO A 92 -17.616 -3.586 8.925 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.590 -3.519 7.819 1.00 0.00 C ATOM 0 HA PRO A 92 -16.250 -0.583 9.277 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.896 -2.331 10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.410 -1.602 9.136 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.354 -4.361 9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.596 -3.842 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.999 -4.434 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.061 -3.388 6.845 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.602 -3.001 10.566 1.00 0.00 N ATOM 1366 CA ALA A 93 -13.719 -3.310 11.724 1.00 0.00 C ATOM 1367 C ALA A 93 -12.366 -2.633 11.527 1.00 0.00 C ATOM 1368 O ALA A 93 -11.348 -3.110 11.986 1.00 0.00 O ATOM 1369 CB ALA A 93 -13.565 -4.828 11.705 1.00 0.00 C ATOM 0 H ALA A 93 -14.546 -3.657 9.787 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.126 -2.956 12.671 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.925 -5.139 12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.545 -5.294 11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.115 -5.136 10.761 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.344 -1.536 10.825 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.047 -0.848 10.577 1.00 0.00 C ATOM 1377 C LEU A 94 -11.100 0.629 10.979 1.00 0.00 C ATOM 1378 O LEU A 94 -10.088 1.236 11.270 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.837 -0.960 9.069 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.742 -1.978 8.784 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.496 -1.614 9.591 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -10.234 -3.367 9.190 1.00 0.00 C ATOM 0 H LEU A 94 -13.163 -1.088 10.414 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.244 -1.297 11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.765 -1.262 8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.562 0.011 8.656 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.497 -1.976 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.708 -2.340 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.154 -0.619 9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.736 -1.623 10.654 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.455 -4.102 8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.472 -3.372 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.127 -3.619 8.617 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.259 1.220 10.974 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.352 2.664 11.329 1.00 0.00 C ATOM 1396 C VAL A 95 -12.602 2.846 12.826 1.00 0.00 C ATOM 1397 O VAL A 95 -13.422 2.163 13.406 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.542 3.183 10.521 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.235 3.073 9.027 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.783 2.348 10.846 1.00 0.00 C ATOM 0 H VAL A 95 -13.144 0.770 10.741 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.429 3.200 11.106 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.725 4.226 10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.084 3.443 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.352 3.667 8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.050 2.030 8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.631 2.718 10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.597 1.305 10.589 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.005 2.426 11.910 1.00 0.00 H new