USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 857 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 44 ASN : amide:sc= -2.1! C(o=-2.1!,f=-6.5!) USER MOD Set 1.2: A 55 SER OG : rot -59:sc= 0.0271 USER MOD Set 2.1: A 51 SER OG : rot 82:sc= 0.263 USER MOD Set 2.2: A 75 GLN : amide:sc= -0.509 K(o=-0.25,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.09 (180deg=0.36) USER MOD Single : A 2 SER OG : rot 49:sc= 0.0115 USER MOD Single : A 3 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.039) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.14) USER MOD Single : A 8 CYS SG : rot 162:sc= 0.421 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 1.12 (180deg=0.991) USER MOD Single : A 17 THR OG1 : rot 60:sc= 0.102 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0151 USER MOD Single : A 27 GLN : amide:sc= -1.15 K(o=-1.1,f=-3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc=-0.00828 X(o=-0.0083,f=-0.00055) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 43 SER OG : rot -150:sc= -0.181 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 62 HIS : no HE2:sc= 0.189 K(o=0.19,f=-0.75) USER MOD Single : A 63 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.9!) USER MOD Single : A 70 SER OG : rot 170:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc=-0.00115 (180deg=-0.184) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 84 CYS SG : rot 24:sc= -0.783 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 91 SER OG : rot 19:sc= 0.301 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= -0.0101 (180deg=-0.119) USER MOD Single : A 94 HIS : no HE2:sc= -0.0986 X(o=-0.099,f=-0.069) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0.642 (180deg=0.529) USER MOD Single : A 105 GLN : amide:sc= -5.22! C(o=-5.2!,f=-5.7!) USER MOD Single : A 110 SER OG : rot 49:sc= 0.448 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.316 8.118 10.751 1.00 0.00 N ATOM 2 CA MET A 1 -17.986 6.845 11.432 1.00 0.00 C ATOM 3 C MET A 1 -17.107 5.977 10.539 1.00 0.00 C ATOM 4 O MET A 1 -15.895 5.904 10.735 1.00 0.00 O ATOM 5 CB MET A 1 -19.260 6.080 11.819 1.00 0.00 C ATOM 6 CG MET A 1 -20.172 6.824 12.785 1.00 0.00 C ATOM 7 SD MET A 1 -20.959 8.268 12.040 1.00 0.00 S ATOM 8 CE MET A 1 -21.933 8.873 13.418 1.00 0.00 C ATOM 0 H1 MET A 1 -19.177 8.523 11.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.528 8.787 10.865 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.475 7.939 9.739 1.00 0.00 H new ATOM 0 HA MET A 1 -17.439 7.084 12.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.821 5.851 10.913 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.975 5.128 12.267 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.942 6.143 13.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.593 7.140 13.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.479 9.766 13.113 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.640 8.104 13.729 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.273 9.118 14.250 1.00 0.00 H new ATOM 17 N SER A 2 -17.707 5.326 9.551 1.00 0.00 N ATOM 18 CA SER A 2 -16.952 4.478 8.645 1.00 0.00 C ATOM 19 C SER A 2 -17.383 4.678 7.198 1.00 0.00 C ATOM 20 O SER A 2 -18.470 4.263 6.794 1.00 0.00 O ATOM 21 CB SER A 2 -17.102 3.010 9.047 1.00 0.00 C ATOM 22 OG SER A 2 -18.440 2.708 9.398 1.00 0.00 O ATOM 0 H SER A 2 -18.708 5.370 9.359 1.00 0.00 H new ATOM 0 HA SER A 2 -15.903 4.763 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.787 2.371 8.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.445 2.792 9.889 1.00 0.00 H new ATOM 0 HG SER A 2 -19.044 3.046 8.704 1.00 0.00 H new ATOM 28 N GLN A 3 -16.535 5.334 6.424 1.00 0.00 N ATOM 29 CA GLN A 3 -16.771 5.479 5.003 1.00 0.00 C ATOM 30 C GLN A 3 -15.835 4.561 4.231 1.00 0.00 C ATOM 31 O GLN A 3 -14.700 4.928 3.924 1.00 0.00 O ATOM 32 CB GLN A 3 -16.580 6.929 4.553 1.00 0.00 C ATOM 33 CG GLN A 3 -17.510 7.914 5.243 1.00 0.00 C ATOM 34 CD GLN A 3 -17.494 9.291 4.602 1.00 0.00 C ATOM 35 OE1 GLN A 3 -17.665 10.305 5.279 1.00 0.00 O ATOM 36 NE2 GLN A 3 -17.313 9.333 3.289 1.00 0.00 N ATOM 0 H GLN A 3 -15.678 5.774 6.759 1.00 0.00 H new ATOM 0 HA GLN A 3 -17.804 5.200 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.548 7.225 4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.737 6.989 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.527 7.521 5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.224 8.003 6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -17.175 8.469 2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -17.312 10.230 2.803 1.00 0.00 H new ATOM 45 N TRP A 4 -16.300 3.352 3.958 1.00 0.00 N ATOM 46 CA TRP A 4 -15.517 2.391 3.197 1.00 0.00 C ATOM 47 C TRP A 4 -15.749 2.582 1.709 1.00 0.00 C ATOM 48 O TRP A 4 -16.754 2.124 1.167 1.00 0.00 O ATOM 49 CB TRP A 4 -15.870 0.955 3.600 1.00 0.00 C ATOM 50 CG TRP A 4 -15.386 0.574 4.965 1.00 0.00 C ATOM 51 CD1 TRP A 4 -16.026 0.778 6.154 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.157 -0.091 5.281 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.266 0.290 7.189 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.115 -0.249 6.678 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.087 -0.565 4.516 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.046 -0.861 7.326 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.027 -1.172 5.161 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.013 -1.317 6.554 1.00 0.00 C ATOM 0 H TRP A 4 -17.216 3.013 4.252 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.464 2.563 3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.952 0.832 3.561 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.445 0.267 2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.989 1.254 6.264 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.518 0.324 8.177 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.089 -0.459 3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.033 -0.972 8.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.194 -1.541 4.581 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.170 -1.798 7.028 1.00 0.00 H new ATOM 69 N LYS A 5 -14.830 3.271 1.055 1.00 0.00 N ATOM 70 CA LYS A 5 -14.938 3.508 -0.374 1.00 0.00 C ATOM 71 C LYS A 5 -14.484 2.279 -1.146 1.00 0.00 C ATOM 72 O LYS A 5 -13.409 1.736 -0.881 1.00 0.00 O ATOM 73 CB LYS A 5 -14.099 4.719 -0.797 1.00 0.00 C ATOM 74 CG LYS A 5 -14.162 4.993 -2.292 1.00 0.00 C ATOM 75 CD LYS A 5 -13.184 6.073 -2.720 1.00 0.00 C ATOM 76 CE LYS A 5 -13.205 6.261 -4.229 1.00 0.00 C ATOM 77 NZ LYS A 5 -12.224 7.281 -4.678 1.00 0.00 N ATOM 0 H LYS A 5 -14.001 3.676 1.490 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.984 3.714 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.445 5.600 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.061 4.554 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.947 4.074 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.174 5.294 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.437 7.013 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.178 5.806 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.987 5.310 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.206 6.558 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.958 7.095 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.649 8.227 -4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.376 7.236 -4.077 1.00 0.00 H new ATOM 91 N ASP A 6 -15.305 1.839 -2.084 1.00 0.00 N ATOM 92 CA ASP A 6 -14.933 0.745 -2.961 1.00 0.00 C ATOM 93 C ASP A 6 -14.042 1.265 -4.081 1.00 0.00 C ATOM 94 O ASP A 6 -14.371 2.241 -4.757 1.00 0.00 O ATOM 95 CB ASP A 6 -16.176 0.050 -3.534 1.00 0.00 C ATOM 96 CG ASP A 6 -17.045 0.963 -4.375 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.786 1.782 -3.792 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.008 0.846 -5.621 1.00 0.00 O ATOM 0 H ASP A 6 -16.234 2.223 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.380 0.006 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.861 -0.799 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.771 -0.349 -2.712 1.00 0.00 H new ATOM 103 N ILE A 7 -12.891 0.640 -4.240 1.00 0.00 N ATOM 104 CA ILE A 7 -11.941 1.046 -5.260 1.00 0.00 C ATOM 105 C ILE A 7 -12.164 0.246 -6.531 1.00 0.00 C ATOM 106 O ILE A 7 -12.628 0.775 -7.542 1.00 0.00 O ATOM 107 CB ILE A 7 -10.485 0.849 -4.786 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.242 1.603 -3.476 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.507 1.306 -5.860 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.503 3.091 -3.564 1.00 0.00 C ATOM 0 H ILE A 7 -12.590 -0.153 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.102 2.106 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.321 -0.213 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.880 1.178 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.210 1.444 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.486 1.160 -5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.665 0.724 -6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.669 2.362 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.308 3.552 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.847 3.532 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.542 3.262 -3.845 1.00 0.00 H new ATOM 122 N CYS A 8 -11.846 -1.032 -6.463 1.00 0.00 N ATOM 123 CA CYS A 8 -12.014 -1.931 -7.587 1.00 0.00 C ATOM 124 C CYS A 8 -12.180 -3.352 -7.076 1.00 0.00 C ATOM 125 O CYS A 8 -11.945 -3.619 -5.898 1.00 0.00 O ATOM 126 CB CYS A 8 -10.811 -1.837 -8.532 1.00 0.00 C ATOM 127 SG CYS A 8 -9.208 -2.077 -7.726 1.00 0.00 S ATOM 0 H CYS A 8 -11.464 -1.476 -5.628 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.906 -1.645 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.924 -2.582 -9.319 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.819 -0.860 -9.015 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.310 -2.359 -8.622 1.00 0.00 H new ATOM 133 N LYS A 9 -12.600 -4.253 -7.945 1.00 0.00 N ATOM 134 CA LYS A 9 -12.763 -5.648 -7.571 1.00 0.00 C ATOM 135 C LYS A 9 -11.398 -6.263 -7.276 1.00 0.00 C ATOM 136 O LYS A 9 -10.391 -5.839 -7.841 1.00 0.00 O ATOM 137 CB LYS A 9 -13.459 -6.394 -8.703 1.00 0.00 C ATOM 138 CG LYS A 9 -14.123 -7.698 -8.298 1.00 0.00 C ATOM 139 CD LYS A 9 -15.242 -8.052 -9.267 1.00 0.00 C ATOM 140 CE LYS A 9 -15.938 -9.349 -8.888 1.00 0.00 C ATOM 141 NZ LYS A 9 -15.122 -10.547 -9.217 1.00 0.00 N ATOM 0 H LYS A 9 -12.835 -4.045 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.375 -5.723 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.214 -5.740 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.728 -6.603 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.384 -8.499 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.523 -7.610 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.972 -7.243 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.834 -8.141 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.155 -9.343 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.894 -9.410 -9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.547 -11.388 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.092 -10.674 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.155 -10.418 -8.856 1.00 0.00 H new ATOM 155 N ILE A 10 -11.370 -7.257 -6.397 1.00 0.00 N ATOM 156 CA ILE A 10 -10.123 -7.903 -5.994 1.00 0.00 C ATOM 157 C ILE A 10 -9.401 -8.509 -7.202 1.00 0.00 C ATOM 158 O ILE A 10 -8.189 -8.714 -7.184 1.00 0.00 O ATOM 159 CB ILE A 10 -10.387 -8.997 -4.927 1.00 0.00 C ATOM 160 CG1 ILE A 10 -9.072 -9.535 -4.356 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.217 -10.135 -5.507 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.240 -8.484 -3.655 1.00 0.00 C ATOM 0 H ILE A 10 -12.202 -7.637 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.481 -7.138 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.952 -8.539 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.293 -10.339 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.486 -9.970 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.388 -10.889 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.175 -9.747 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.683 -10.585 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.324 -8.938 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.988 -7.691 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.808 -8.065 -2.824 1.00 0.00 H new ATOM 174 N ASP A 11 -10.160 -8.758 -8.261 1.00 0.00 N ATOM 175 CA ASP A 11 -9.624 -9.336 -9.487 1.00 0.00 C ATOM 176 C ASP A 11 -8.729 -8.346 -10.226 1.00 0.00 C ATOM 177 O ASP A 11 -7.915 -8.737 -11.064 1.00 0.00 O ATOM 178 CB ASP A 11 -10.766 -9.777 -10.403 1.00 0.00 C ATOM 179 CG ASP A 11 -11.629 -10.853 -9.783 1.00 0.00 C ATOM 180 OD1 ASP A 11 -12.537 -10.512 -8.998 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.404 -12.046 -10.080 1.00 0.00 O ATOM 0 H ASP A 11 -11.161 -8.566 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.021 -10.201 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.386 -8.914 -10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.352 -10.145 -11.342 1.00 0.00 H new ATOM 186 N ASP A 12 -8.886 -7.065 -9.915 1.00 0.00 N ATOM 187 CA ASP A 12 -8.091 -6.016 -10.548 1.00 0.00 C ATOM 188 C ASP A 12 -6.674 -6.019 -9.986 1.00 0.00 C ATOM 189 O ASP A 12 -5.716 -5.636 -10.661 1.00 0.00 O ATOM 190 CB ASP A 12 -8.747 -4.648 -10.327 1.00 0.00 C ATOM 191 CG ASP A 12 -8.024 -3.519 -11.039 1.00 0.00 C ATOM 192 OD1 ASP A 12 -8.075 -3.471 -12.288 1.00 0.00 O ATOM 193 OD2 ASP A 12 -7.412 -2.668 -10.357 1.00 0.00 O ATOM 0 H ASP A 12 -9.558 -6.726 -9.227 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.043 -6.211 -11.619 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.779 -4.686 -10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.778 -4.435 -9.258 1.00 0.00 H new ATOM 198 N ILE A 13 -6.552 -6.476 -8.749 1.00 0.00 N ATOM 199 CA ILE A 13 -5.266 -6.531 -8.075 1.00 0.00 C ATOM 200 C ILE A 13 -4.843 -7.979 -7.878 1.00 0.00 C ATOM 201 O ILE A 13 -5.326 -8.659 -6.976 1.00 0.00 O ATOM 202 CB ILE A 13 -5.318 -5.833 -6.699 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.028 -4.482 -6.809 1.00 0.00 C ATOM 204 CG2 ILE A 13 -3.909 -5.649 -6.153 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.252 -3.804 -5.476 1.00 0.00 C ATOM 0 H ILE A 13 -7.334 -6.816 -8.189 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.543 -6.010 -8.703 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.882 -6.462 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.440 -3.823 -7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.990 -4.626 -7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.957 -5.156 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.432 -6.623 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.329 -5.037 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.760 -2.852 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.866 -4.443 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.292 -3.627 -4.992 1.00 0.00 H new ATOM 217 N LEU A 14 -3.959 -8.451 -8.739 1.00 0.00 N ATOM 218 CA LEU A 14 -3.450 -9.811 -8.645 1.00 0.00 C ATOM 219 C LEU A 14 -2.539 -9.952 -7.424 1.00 0.00 C ATOM 220 O LEU A 14 -2.088 -8.952 -6.868 1.00 0.00 O ATOM 221 CB LEU A 14 -2.683 -10.167 -9.923 1.00 0.00 C ATOM 222 CG LEU A 14 -3.497 -10.088 -11.216 1.00 0.00 C ATOM 223 CD1 LEU A 14 -2.620 -10.405 -12.417 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.684 -11.039 -11.163 1.00 0.00 C ATOM 0 H LEU A 14 -3.576 -7.911 -9.515 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.289 -10.497 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.826 -9.499 -10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.290 -11.179 -9.822 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.875 -9.071 -11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.215 -10.344 -13.328 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.802 -9.687 -12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.214 -11.411 -12.315 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.250 -10.967 -12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.326 -12.061 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.328 -10.771 -10.325 1.00 0.00 H new ATOM 236 N PRO A 15 -2.271 -11.187 -6.975 1.00 0.00 N ATOM 237 CA PRO A 15 -1.326 -11.434 -5.881 1.00 0.00 C ATOM 238 C PRO A 15 0.073 -10.919 -6.214 1.00 0.00 C ATOM 239 O PRO A 15 0.475 -10.918 -7.384 1.00 0.00 O ATOM 240 CB PRO A 15 -1.317 -12.959 -5.745 1.00 0.00 C ATOM 241 CG PRO A 15 -2.596 -13.407 -6.360 1.00 0.00 C ATOM 242 CD PRO A 15 -2.883 -12.434 -7.466 1.00 0.00 C ATOM 0 HA PRO A 15 -1.616 -10.920 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.459 -13.396 -6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.254 -13.262 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.509 -14.423 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.402 -13.413 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.444 -12.755 -8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.954 -12.319 -7.635 1.00 0.00 H new ATOM 250 N GLU A 16 0.795 -10.472 -5.185 1.00 0.00 N ATOM 251 CA GLU A 16 2.142 -9.914 -5.340 1.00 0.00 C ATOM 252 C GLU A 16 2.105 -8.634 -6.187 1.00 0.00 C ATOM 253 O GLU A 16 3.102 -8.263 -6.808 1.00 0.00 O ATOM 254 CB GLU A 16 3.092 -10.935 -5.993 1.00 0.00 C ATOM 255 CG GLU A 16 3.173 -12.287 -5.287 1.00 0.00 C ATOM 256 CD GLU A 16 3.850 -12.230 -3.929 1.00 0.00 C ATOM 257 OE1 GLU A 16 4.853 -11.496 -3.781 1.00 0.00 O ATOM 258 OE2 GLU A 16 3.404 -12.960 -3.011 1.00 0.00 O ATOM 0 H GLU A 16 0.464 -10.486 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 16 2.515 -9.674 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.773 -11.098 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.092 -10.503 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.165 -12.683 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.715 -12.987 -5.923 1.00 0.00 H new ATOM 265 N THR A 17 0.964 -7.949 -6.194 1.00 0.00 N ATOM 266 CA THR A 17 0.783 -6.777 -7.049 1.00 0.00 C ATOM 267 C THR A 17 0.409 -5.535 -6.237 1.00 0.00 C ATOM 268 O THR A 17 -0.286 -5.627 -5.222 1.00 0.00 O ATOM 269 CB THR A 17 -0.310 -7.034 -8.109 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.059 -8.281 -8.770 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.364 -5.917 -9.143 1.00 0.00 C ATOM 0 H THR A 17 0.154 -8.183 -5.620 1.00 0.00 H new ATOM 0 HA THR A 17 1.738 -6.597 -7.543 1.00 0.00 H new ATOM 0 HB THR A 17 -1.271 -7.068 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.073 -9.008 -8.113 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.145 -6.133 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.583 -4.972 -8.646 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.597 -5.845 -9.652 1.00 0.00 H new ATOM 279 N GLY A 18 0.884 -4.380 -6.687 1.00 0.00 N ATOM 280 CA GLY A 18 0.518 -3.125 -6.063 1.00 0.00 C ATOM 281 C GLY A 18 -0.101 -2.159 -7.056 1.00 0.00 C ATOM 282 O GLY A 18 0.441 -1.943 -8.143 1.00 0.00 O ATOM 0 H GLY A 18 1.521 -4.291 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.186 -3.314 -5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.402 -2.670 -5.617 1.00 0.00 H new ATOM 286 N VAL A 19 -1.236 -1.580 -6.697 1.00 0.00 N ATOM 287 CA VAL A 19 -1.934 -0.657 -7.581 1.00 0.00 C ATOM 288 C VAL A 19 -2.044 0.726 -6.943 1.00 0.00 C ATOM 289 O VAL A 19 -1.631 0.929 -5.799 1.00 0.00 O ATOM 290 CB VAL A 19 -3.348 -1.165 -7.941 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.279 -2.545 -8.581 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.246 -1.182 -6.712 1.00 0.00 C ATOM 0 H VAL A 19 -1.695 -1.733 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.347 -0.591 -8.497 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.781 -0.476 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.286 -2.883 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.681 -2.494 -9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.820 -3.247 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.236 -1.543 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.818 -1.842 -5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.328 -0.173 -6.307 1.00 0.00 H new ATOM 302 N CYS A 20 -2.585 1.672 -7.691 1.00 0.00 N ATOM 303 CA CYS A 20 -2.762 3.027 -7.200 1.00 0.00 C ATOM 304 C CYS A 20 -4.233 3.425 -7.240 1.00 0.00 C ATOM 305 O CYS A 20 -4.956 3.074 -8.176 1.00 0.00 O ATOM 306 CB CYS A 20 -1.916 3.994 -8.030 1.00 0.00 C ATOM 307 SG CYS A 20 -1.998 3.702 -9.814 1.00 0.00 S ATOM 0 H CYS A 20 -2.911 1.525 -8.646 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.430 3.073 -6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.242 5.014 -7.824 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.877 3.920 -7.708 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.252 4.570 -10.431 1.00 0.00 H new ATOM 313 N ALA A 21 -4.673 4.135 -6.210 1.00 0.00 N ATOM 314 CA ALA A 21 -6.053 4.589 -6.121 1.00 0.00 C ATOM 315 C ALA A 21 -6.123 5.955 -5.450 1.00 0.00 C ATOM 316 O ALA A 21 -5.093 6.536 -5.099 1.00 0.00 O ATOM 317 CB ALA A 21 -6.885 3.579 -5.348 1.00 0.00 C ATOM 0 H ALA A 21 -4.089 4.410 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.456 4.680 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.916 3.928 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.857 2.617 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.480 3.467 -4.342 1.00 0.00 H new ATOM 323 N LEU A 22 -7.332 6.459 -5.257 1.00 0.00 N ATOM 324 CA LEU A 22 -7.528 7.757 -4.632 1.00 0.00 C ATOM 325 C LEU A 22 -8.564 7.638 -3.521 1.00 0.00 C ATOM 326 O LEU A 22 -9.662 7.119 -3.737 1.00 0.00 O ATOM 327 CB LEU A 22 -7.979 8.776 -5.691 1.00 0.00 C ATOM 328 CG LEU A 22 -7.723 10.256 -5.368 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.987 11.106 -6.599 1.00 0.00 C ATOM 330 CD2 LEU A 22 -8.592 10.739 -4.215 1.00 0.00 C ATOM 0 H LEU A 22 -8.195 5.986 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.590 8.102 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.476 8.539 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.048 8.643 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.680 10.355 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.804 12.154 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.324 10.794 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.023 10.980 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.382 11.790 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.643 10.622 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.374 10.151 -3.324 1.00 0.00 H new ATOM 342 N LEU A 23 -8.215 8.109 -2.334 1.00 0.00 N ATOM 343 CA LEU A 23 -9.134 8.087 -1.208 1.00 0.00 C ATOM 344 C LEU A 23 -9.249 9.473 -0.593 1.00 0.00 C ATOM 345 O LEU A 23 -8.294 9.994 -0.014 1.00 0.00 O ATOM 346 CB LEU A 23 -8.673 7.074 -0.154 1.00 0.00 C ATOM 347 CG LEU A 23 -9.564 6.968 1.089 1.00 0.00 C ATOM 348 CD1 LEU A 23 -10.979 6.569 0.706 1.00 0.00 C ATOM 349 CD2 LEU A 23 -8.983 5.969 2.073 1.00 0.00 C ATOM 0 H LEU A 23 -7.301 8.511 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.116 7.783 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.612 6.091 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.665 7.339 0.164 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.601 7.947 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.593 6.500 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.399 7.318 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.961 5.602 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.627 5.905 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.916 4.989 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.988 6.294 2.377 1.00 0.00 H new ATOM 361 N GLY A 24 -10.419 10.074 -0.741 1.00 0.00 N ATOM 362 CA GLY A 24 -10.646 11.393 -0.200 1.00 0.00 C ATOM 363 C GLY A 24 -10.049 12.474 -1.069 1.00 0.00 C ATOM 364 O GLY A 24 -10.678 12.934 -2.019 1.00 0.00 O ATOM 0 H GLY A 24 -11.218 9.668 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.718 11.562 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.216 11.453 0.800 1.00 0.00 H new ATOM 368 N ASP A 25 -8.828 12.868 -0.750 1.00 0.00 N ATOM 369 CA ASP A 25 -8.142 13.909 -1.502 1.00 0.00 C ATOM 370 C ASP A 25 -6.782 13.427 -1.980 1.00 0.00 C ATOM 371 O ASP A 25 -6.267 13.900 -2.995 1.00 0.00 O ATOM 372 CB ASP A 25 -7.953 15.162 -0.638 1.00 0.00 C ATOM 373 CG ASP A 25 -9.254 15.858 -0.302 1.00 0.00 C ATOM 374 OD1 ASP A 25 -9.692 16.722 -1.092 1.00 0.00 O ATOM 375 OD2 ASP A 25 -9.832 15.563 0.769 1.00 0.00 O ATOM 0 H ASP A 25 -8.289 12.483 0.026 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.760 14.152 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.448 14.884 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.300 15.860 -1.161 1.00 0.00 H new ATOM 380 N GLU A 26 -6.216 12.468 -1.261 1.00 0.00 N ATOM 381 CA GLU A 26 -4.835 12.072 -1.485 1.00 0.00 C ATOM 382 C GLU A 26 -4.751 10.725 -2.193 1.00 0.00 C ATOM 383 O GLU A 26 -5.741 9.992 -2.294 1.00 0.00 O ATOM 384 CB GLU A 26 -4.083 12.023 -0.153 1.00 0.00 C ATOM 385 CG GLU A 26 -4.150 13.329 0.629 1.00 0.00 C ATOM 386 CD GLU A 26 -3.471 14.490 -0.079 1.00 0.00 C ATOM 387 OE1 GLU A 26 -4.028 15.008 -1.070 1.00 0.00 O ATOM 388 OE2 GLU A 26 -2.380 14.903 0.365 1.00 0.00 O ATOM 0 H GLU A 26 -6.691 11.952 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.369 12.815 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.495 11.220 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.039 11.775 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.195 13.583 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.684 13.185 1.604 1.00 0.00 H new ATOM 395 N GLN A 27 -3.559 10.404 -2.673 1.00 0.00 N ATOM 396 CA GLN A 27 -3.345 9.201 -3.455 1.00 0.00 C ATOM 397 C GLN A 27 -2.919 8.048 -2.556 1.00 0.00 C ATOM 398 O GLN A 27 -2.016 8.183 -1.727 1.00 0.00 O ATOM 399 CB GLN A 27 -2.289 9.439 -4.542 1.00 0.00 C ATOM 400 CG GLN A 27 -2.586 10.634 -5.443 1.00 0.00 C ATOM 401 CD GLN A 27 -2.291 11.965 -4.769 1.00 0.00 C ATOM 402 OE1 GLN A 27 -1.385 12.065 -3.943 1.00 0.00 O ATOM 403 NE2 GLN A 27 -3.071 12.983 -5.092 1.00 0.00 N ATOM 0 H GLN A 27 -2.720 10.967 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.287 8.940 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.320 9.587 -4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.208 8.543 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.993 10.553 -6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.634 10.607 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.812 12.859 -5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.932 13.892 -4.651 1.00 0.00 H new ATOM 412 N VAL A 28 -3.573 6.916 -2.733 1.00 0.00 N ATOM 413 CA VAL A 28 -3.339 5.749 -1.901 1.00 0.00 C ATOM 414 C VAL A 28 -2.771 4.607 -2.732 1.00 0.00 C ATOM 415 O VAL A 28 -3.206 4.368 -3.860 1.00 0.00 O ATOM 416 CB VAL A 28 -4.647 5.286 -1.220 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.400 4.097 -0.303 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.280 6.432 -0.448 1.00 0.00 C ATOM 0 H VAL A 28 -4.280 6.778 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.619 6.028 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.338 4.969 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.339 3.794 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.998 3.267 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.686 4.377 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.200 6.088 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.587 6.782 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.508 7.250 -1.132 1.00 0.00 H new ATOM 428 N ALA A 29 -1.791 3.918 -2.177 1.00 0.00 N ATOM 429 CA ALA A 29 -1.200 2.767 -2.830 1.00 0.00 C ATOM 430 C ALA A 29 -1.739 1.488 -2.206 1.00 0.00 C ATOM 431 O ALA A 29 -1.583 1.263 -1.004 1.00 0.00 O ATOM 432 CB ALA A 29 0.315 2.817 -2.725 1.00 0.00 C ATOM 0 H ALA A 29 -1.385 4.139 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.467 2.782 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.743 1.945 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.683 3.724 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.607 2.817 -1.675 1.00 0.00 H new ATOM 438 N ILE A 30 -2.380 0.663 -3.018 1.00 0.00 N ATOM 439 CA ILE A 30 -2.986 -0.566 -2.529 1.00 0.00 C ATOM 440 C ILE A 30 -2.159 -1.765 -2.960 1.00 0.00 C ATOM 441 O ILE A 30 -2.040 -2.054 -4.150 1.00 0.00 O ATOM 442 CB ILE A 30 -4.427 -0.746 -3.051 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.266 0.500 -2.763 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.067 -1.975 -2.419 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.666 0.427 -3.337 1.00 0.00 C ATOM 0 H ILE A 30 -2.494 0.822 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.017 -0.496 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.387 -0.889 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.330 0.645 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.758 1.374 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.083 -2.090 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.483 -2.860 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.093 -1.855 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.206 1.343 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.610 0.313 -4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.191 -0.427 -2.909 1.00 0.00 H new ATOM 457 N PHE A 31 -1.584 -2.456 -1.997 1.00 0.00 N ATOM 458 CA PHE A 31 -0.751 -3.606 -2.289 1.00 0.00 C ATOM 459 C PHE A 31 -1.421 -4.887 -1.827 1.00 0.00 C ATOM 460 O PHE A 31 -1.885 -4.982 -0.687 1.00 0.00 O ATOM 461 CB PHE A 31 0.614 -3.463 -1.615 1.00 0.00 C ATOM 462 CG PHE A 31 1.425 -2.307 -2.127 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.277 -2.469 -3.207 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.340 -1.062 -1.528 1.00 0.00 C ATOM 465 CE1 PHE A 31 3.026 -1.410 -3.680 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.089 -0.001 -1.995 1.00 0.00 C ATOM 467 CZ PHE A 31 2.932 -0.175 -3.072 1.00 0.00 C ATOM 0 H PHE A 31 -1.678 -2.242 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.610 -3.655 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.468 -3.345 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.179 -4.384 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.356 -3.434 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.680 -0.919 -0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.685 -1.548 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.015 0.965 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.518 0.654 -3.439 1.00 0.00 H new ATOM 477 N ARG A 32 -1.477 -5.861 -2.714 1.00 0.00 N ATOM 478 CA ARG A 32 -1.963 -7.177 -2.369 1.00 0.00 C ATOM 479 C ARG A 32 -0.810 -8.158 -2.450 1.00 0.00 C ATOM 480 O ARG A 32 -0.423 -8.592 -3.534 1.00 0.00 O ATOM 481 CB ARG A 32 -3.091 -7.605 -3.309 1.00 0.00 C ATOM 482 CG ARG A 32 -3.649 -8.986 -3.011 1.00 0.00 C ATOM 483 CD ARG A 32 -4.693 -9.394 -4.034 1.00 0.00 C ATOM 484 NE ARG A 32 -5.222 -10.733 -3.774 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.938 -11.438 -4.651 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.233 -10.935 -5.843 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.366 -12.648 -4.329 1.00 0.00 N ATOM 0 H ARG A 32 -1.188 -5.761 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.365 -7.159 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.899 -6.876 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.723 -7.586 -4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.838 -9.714 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.091 -8.994 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.511 -8.673 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.254 -9.365 -5.031 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.031 -11.154 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.912 -10.001 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.781 -11.483 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.148 -13.039 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.914 -13.190 -4.997 1.00 0.00 H new ATOM 501 N PRO A 33 -0.226 -8.489 -1.302 1.00 0.00 N ATOM 502 CA PRO A 33 0.897 -9.413 -1.220 1.00 0.00 C ATOM 503 C PRO A 33 0.460 -10.866 -1.325 1.00 0.00 C ATOM 504 O PRO A 33 1.099 -11.667 -1.996 1.00 0.00 O ATOM 505 CB PRO A 33 1.502 -9.142 0.166 1.00 0.00 C ATOM 506 CG PRO A 33 0.713 -8.016 0.759 1.00 0.00 C ATOM 507 CD PRO A 33 -0.586 -7.952 0.008 1.00 0.00 C ATOM 0 HA PRO A 33 1.599 -9.260 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.444 -10.030 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.556 -8.877 0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.537 -8.185 1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.257 -7.075 0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.362 -8.546 0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.963 -6.932 -0.062 1.00 0.00 H new ATOM 515 N TYR A 34 -0.645 -11.192 -0.678 1.00 0.00 N ATOM 516 CA TYR A 34 -1.080 -12.575 -0.571 1.00 0.00 C ATOM 517 C TYR A 34 -1.990 -12.964 -1.722 1.00 0.00 C ATOM 518 O TYR A 34 -2.562 -12.109 -2.400 1.00 0.00 O ATOM 519 CB TYR A 34 -1.813 -12.800 0.752 1.00 0.00 C ATOM 520 CG TYR A 34 -0.943 -12.623 1.973 1.00 0.00 C ATOM 521 CD1 TYR A 34 -0.752 -11.370 2.538 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.319 -13.714 2.563 1.00 0.00 C ATOM 523 CE1 TYR A 34 0.040 -11.208 3.656 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.474 -13.560 3.682 1.00 0.00 C ATOM 525 CZ TYR A 34 0.649 -12.305 4.225 1.00 0.00 C ATOM 526 OH TYR A 34 1.439 -12.148 5.342 1.00 0.00 O ATOM 0 H TYR A 34 -1.258 -10.519 -0.219 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.189 -13.201 -0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.652 -12.107 0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.230 -13.807 0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.231 -10.509 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.456 -14.698 2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.182 -10.226 4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.955 -14.417 4.130 1.00 0.00 H new ATOM 0 HH TYR A 34 1.792 -13.019 5.618 1.00 0.00 H new ATOM 536 N HIS A 35 -2.125 -14.265 -1.925 1.00 0.00 N ATOM 537 CA HIS A 35 -3.057 -14.806 -2.904 1.00 0.00 C ATOM 538 C HIS A 35 -4.467 -14.767 -2.333 1.00 0.00 C ATOM 539 O HIS A 35 -5.453 -14.974 -3.039 1.00 0.00 O ATOM 540 CB HIS A 35 -2.677 -16.243 -3.270 1.00 0.00 C ATOM 541 CG HIS A 35 -1.529 -16.351 -4.227 1.00 0.00 C ATOM 542 ND1 HIS A 35 -0.233 -16.000 -3.909 1.00 0.00 N ATOM 543 CD2 HIS A 35 -1.492 -16.771 -5.512 1.00 0.00 C ATOM 544 CE1 HIS A 35 0.545 -16.198 -4.955 1.00 0.00 C ATOM 545 NE2 HIS A 35 -0.193 -16.666 -5.942 1.00 0.00 N ATOM 0 H HIS A 35 -1.594 -14.974 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.014 -14.200 -3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.427 -16.784 -2.358 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.546 -16.737 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.331 -17.124 -6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.607 -16.009 -4.996 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.146 -16.910 -6.873 1.00 0.00 H new ATOM 554 N SER A 36 -4.543 -14.493 -1.040 1.00 0.00 N ATOM 555 CA SER A 36 -5.811 -14.380 -0.343 1.00 0.00 C ATOM 556 C SER A 36 -6.367 -12.961 -0.456 1.00 0.00 C ATOM 557 O SER A 36 -5.885 -12.157 -1.258 1.00 0.00 O ATOM 558 CB SER A 36 -5.610 -14.765 1.121 1.00 0.00 C ATOM 559 OG SER A 36 -5.077 -16.072 1.227 1.00 0.00 O ATOM 0 H SER A 36 -3.727 -14.343 -0.446 1.00 0.00 H new ATOM 0 HA SER A 36 -6.535 -15.055 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.938 -14.053 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.561 -14.711 1.650 1.00 0.00 H new ATOM 0 HG SER A 36 -4.954 -16.299 2.172 1.00 0.00 H new ATOM 565 N ASP A 37 -7.370 -12.658 0.359 1.00 0.00 N ATOM 566 CA ASP A 37 -8.060 -11.371 0.305 1.00 0.00 C ATOM 567 C ASP A 37 -7.428 -10.366 1.266 1.00 0.00 C ATOM 568 O ASP A 37 -8.106 -9.478 1.785 1.00 0.00 O ATOM 569 CB ASP A 37 -9.540 -11.552 0.663 1.00 0.00 C ATOM 570 CG ASP A 37 -10.286 -12.453 -0.303 1.00 0.00 C ATOM 571 OD1 ASP A 37 -10.818 -11.948 -1.311 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.368 -13.675 -0.043 1.00 0.00 O ATOM 0 H ASP A 37 -7.728 -13.292 1.073 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.971 -10.986 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.615 -11.967 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.023 -10.575 0.685 1.00 0.00 H new ATOM 577 N GLN A 38 -6.129 -10.499 1.498 1.00 0.00 N ATOM 578 CA GLN A 38 -5.425 -9.588 2.390 1.00 0.00 C ATOM 579 C GLN A 38 -4.734 -8.486 1.595 1.00 0.00 C ATOM 580 O GLN A 38 -3.772 -8.741 0.868 1.00 0.00 O ATOM 581 CB GLN A 38 -4.401 -10.336 3.247 1.00 0.00 C ATOM 582 CG GLN A 38 -5.018 -11.386 4.157 1.00 0.00 C ATOM 583 CD GLN A 38 -4.023 -11.953 5.152 1.00 0.00 C ATOM 584 OE1 GLN A 38 -2.824 -12.012 4.887 1.00 0.00 O ATOM 585 NE2 GLN A 38 -4.514 -12.373 6.304 1.00 0.00 N ATOM 0 H GLN A 38 -5.544 -11.225 1.084 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.163 -9.136 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.674 -10.817 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.854 -9.616 3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.856 -10.946 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.421 -12.196 3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.515 -12.307 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.892 -12.763 7.012 1.00 0.00 H new ATOM 594 N VAL A 39 -5.240 -7.268 1.730 1.00 0.00 N ATOM 595 CA VAL A 39 -4.672 -6.116 1.048 1.00 0.00 C ATOM 596 C VAL A 39 -4.261 -5.048 2.056 1.00 0.00 C ATOM 597 O VAL A 39 -4.846 -4.945 3.135 1.00 0.00 O ATOM 598 CB VAL A 39 -5.662 -5.502 0.030 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.946 -6.477 -1.103 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.959 -5.089 0.714 1.00 0.00 C ATOM 0 H VAL A 39 -6.050 -7.052 2.311 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.795 -6.467 0.504 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.199 -4.610 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.644 -6.024 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.016 -6.717 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.381 -7.390 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.638 -4.660 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.424 -5.963 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.744 -4.348 1.484 1.00 0.00 H new ATOM 610 N PHE A 40 -3.246 -4.273 1.710 1.00 0.00 N ATOM 611 CA PHE A 40 -2.771 -3.202 2.573 1.00 0.00 C ATOM 612 C PHE A 40 -2.686 -1.898 1.789 1.00 0.00 C ATOM 613 O PHE A 40 -2.266 -1.892 0.633 1.00 0.00 O ATOM 614 CB PHE A 40 -1.404 -3.555 3.169 1.00 0.00 C ATOM 615 CG PHE A 40 -1.434 -4.752 4.082 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.717 -4.603 5.428 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.184 -6.026 3.591 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.749 -5.698 6.271 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.215 -7.125 4.428 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.498 -6.961 5.771 1.00 0.00 C ATOM 0 H PHE A 40 -2.733 -4.366 0.834 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.479 -3.076 3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.702 -3.745 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.026 -2.696 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.915 -3.618 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.963 -6.160 2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.970 -5.566 7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.018 -8.111 4.033 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.523 -7.818 6.428 1.00 0.00 H new ATOM 630 N ALA A 41 -3.092 -0.800 2.414 1.00 0.00 N ATOM 631 CA ALA A 41 -3.118 0.487 1.737 1.00 0.00 C ATOM 632 C ALA A 41 -2.325 1.537 2.504 1.00 0.00 C ATOM 633 O ALA A 41 -2.542 1.748 3.700 1.00 0.00 O ATOM 634 CB ALA A 41 -4.553 0.946 1.547 1.00 0.00 C ATOM 0 H ALA A 41 -3.406 -0.776 3.384 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.648 0.364 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.562 1.911 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.092 0.214 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.036 1.043 2.519 1.00 0.00 H new ATOM 640 N ILE A 42 -1.406 2.188 1.809 1.00 0.00 N ATOM 641 CA ILE A 42 -0.599 3.254 2.391 1.00 0.00 C ATOM 642 C ILE A 42 -0.584 4.461 1.462 1.00 0.00 C ATOM 643 O ILE A 42 -1.262 4.465 0.436 1.00 0.00 O ATOM 644 CB ILE A 42 0.856 2.798 2.650 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.490 2.262 1.361 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.901 1.748 3.751 1.00 0.00 C ATOM 647 CD1 ILE A 42 2.944 1.864 1.513 1.00 0.00 C ATOM 0 H ILE A 42 -1.197 1.995 0.829 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.050 3.519 3.347 1.00 0.00 H new ATOM 0 HB ILE A 42 1.433 3.662 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.920 1.398 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.411 3.023 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.933 1.440 3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.494 2.168 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.308 0.883 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.322 1.495 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.528 2.730 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.030 1.080 2.265 1.00 0.00 H new ATOM 659 N SER A 43 0.176 5.483 1.819 1.00 0.00 N ATOM 660 CA SER A 43 0.332 6.645 0.957 1.00 0.00 C ATOM 661 C SER A 43 1.129 6.258 -0.289 1.00 0.00 C ATOM 662 O SER A 43 2.089 5.498 -0.203 1.00 0.00 O ATOM 663 CB SER A 43 1.031 7.768 1.721 1.00 0.00 C ATOM 664 OG SER A 43 0.381 8.011 2.960 1.00 0.00 O ATOM 0 H SER A 43 0.693 5.533 2.697 1.00 0.00 H new ATOM 0 HA SER A 43 -0.650 7.001 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.073 7.501 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.032 8.678 1.120 1.00 0.00 H new ATOM 0 HG SER A 43 0.488 8.954 3.206 1.00 0.00 H new ATOM 670 N ASN A 44 0.723 6.777 -1.444 1.00 0.00 N ATOM 671 CA ASN A 44 1.303 6.356 -2.721 1.00 0.00 C ATOM 672 C ASN A 44 2.552 7.164 -3.081 1.00 0.00 C ATOM 673 O ASN A 44 3.188 6.914 -4.102 1.00 0.00 O ATOM 674 CB ASN A 44 0.257 6.496 -3.839 1.00 0.00 C ATOM 675 CG ASN A 44 0.676 5.827 -5.139 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.370 4.809 -5.139 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.261 6.398 -6.260 1.00 0.00 N ATOM 0 H ASN A 44 -0.004 7.488 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 44 1.603 5.313 -2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.685 6.063 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.073 7.554 -4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.515 5.995 -7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.313 7.241 -6.221 1.00 0.00 H new ATOM 684 N ILE A 45 2.914 8.122 -2.242 1.00 0.00 N ATOM 685 CA ILE A 45 4.022 9.012 -2.562 1.00 0.00 C ATOM 686 C ILE A 45 5.202 8.816 -1.612 1.00 0.00 C ATOM 687 O ILE A 45 5.044 8.838 -0.388 1.00 0.00 O ATOM 688 CB ILE A 45 3.579 10.493 -2.538 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.461 10.725 -3.560 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.762 11.414 -2.820 1.00 0.00 C ATOM 691 CD1 ILE A 45 1.957 12.152 -3.603 1.00 0.00 C ATOM 0 H ILE A 45 2.464 8.303 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 45 4.345 8.755 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 45 3.198 10.726 -1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.824 10.448 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.627 10.062 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.429 12.452 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.529 11.264 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.175 11.186 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.168 12.237 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.563 12.428 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.778 12.820 -3.865 1.00 0.00 H new ATOM 703 N ASP A 46 6.376 8.615 -2.197 1.00 0.00 N ATOM 704 CA ASP A 46 7.622 8.521 -1.441 1.00 0.00 C ATOM 705 C ASP A 46 8.239 9.904 -1.253 1.00 0.00 C ATOM 706 O ASP A 46 8.414 10.651 -2.217 1.00 0.00 O ATOM 707 CB ASP A 46 8.614 7.604 -2.158 1.00 0.00 C ATOM 708 CG ASP A 46 10.059 7.934 -1.832 1.00 0.00 C ATOM 709 OD1 ASP A 46 10.468 7.758 -0.671 1.00 0.00 O ATOM 710 OD2 ASP A 46 10.787 8.375 -2.746 1.00 0.00 O ATOM 0 H ASP A 46 6.493 8.513 -3.205 1.00 0.00 H new ATOM 0 HA ASP A 46 7.395 8.100 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.411 6.569 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.462 7.682 -3.234 1.00 0.00 H new ATOM 715 N PRO A 47 8.571 10.263 -0.004 1.00 0.00 N ATOM 716 CA PRO A 47 9.123 11.573 0.323 1.00 0.00 C ATOM 717 C PRO A 47 10.644 11.656 0.181 1.00 0.00 C ATOM 718 O PRO A 47 11.217 12.740 0.284 1.00 0.00 O ATOM 719 CB PRO A 47 8.718 11.741 1.784 1.00 0.00 C ATOM 720 CG PRO A 47 8.734 10.356 2.341 1.00 0.00 C ATOM 721 CD PRO A 47 8.404 9.424 1.200 1.00 0.00 C ATOM 0 HA PRO A 47 8.754 12.346 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.413 12.390 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.730 12.192 1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.711 10.120 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.006 10.255 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.071 8.562 1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.388 9.038 1.280 1.00 0.00 H new ATOM 729 N PHE A 48 11.301 10.527 -0.054 1.00 0.00 N ATOM 730 CA PHE A 48 12.756 10.511 -0.148 1.00 0.00 C ATOM 731 C PHE A 48 13.231 10.980 -1.516 1.00 0.00 C ATOM 732 O PHE A 48 13.941 11.980 -1.628 1.00 0.00 O ATOM 733 CB PHE A 48 13.310 9.116 0.142 1.00 0.00 C ATOM 734 CG PHE A 48 13.167 8.701 1.575 1.00 0.00 C ATOM 735 CD1 PHE A 48 14.005 9.229 2.544 1.00 0.00 C ATOM 736 CD2 PHE A 48 12.202 7.784 1.952 1.00 0.00 C ATOM 737 CE1 PHE A 48 13.882 8.850 3.863 1.00 0.00 C ATOM 738 CE2 PHE A 48 12.074 7.402 3.272 1.00 0.00 C ATOM 739 CZ PHE A 48 12.915 7.935 4.228 1.00 0.00 C ATOM 0 H PHE A 48 10.855 9.619 -0.182 1.00 0.00 H new ATOM 0 HA PHE A 48 13.133 11.204 0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.797 8.392 -0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.365 9.088 -0.132 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.763 9.945 2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.543 7.363 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.541 9.268 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.317 6.687 3.557 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.816 7.636 5.261 1.00 0.00 H new ATOM 749 N PHE A 49 12.832 10.263 -2.553 1.00 0.00 N ATOM 750 CA PHE A 49 13.297 10.558 -3.901 1.00 0.00 C ATOM 751 C PHE A 49 12.150 11.066 -4.758 1.00 0.00 C ATOM 752 O PHE A 49 12.282 11.207 -5.975 1.00 0.00 O ATOM 753 CB PHE A 49 13.932 9.313 -4.527 1.00 0.00 C ATOM 754 CG PHE A 49 15.162 8.848 -3.799 1.00 0.00 C ATOM 755 CD1 PHE A 49 16.398 9.415 -4.068 1.00 0.00 C ATOM 756 CD2 PHE A 49 15.082 7.853 -2.837 1.00 0.00 C ATOM 757 CE1 PHE A 49 17.529 8.998 -3.394 1.00 0.00 C ATOM 758 CE2 PHE A 49 16.210 7.433 -2.159 1.00 0.00 C ATOM 759 CZ PHE A 49 17.435 8.006 -2.438 1.00 0.00 C ATOM 0 H PHE A 49 12.189 9.474 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 49 14.054 11.340 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.199 8.507 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 49 14.190 9.527 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 49 16.477 10.192 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 49 14.127 7.401 -2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.486 9.447 -3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 49 16.134 6.657 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 49 18.318 7.679 -1.909 1.00 0.00 H new ATOM 769 N GLU A 50 11.035 11.355 -4.096 1.00 0.00 N ATOM 770 CA GLU A 50 9.837 11.869 -4.748 1.00 0.00 C ATOM 771 C GLU A 50 9.300 10.875 -5.768 1.00 0.00 C ATOM 772 O GLU A 50 9.423 11.070 -6.979 1.00 0.00 O ATOM 773 CB GLU A 50 10.102 13.223 -5.411 1.00 0.00 C ATOM 774 CG GLU A 50 10.418 14.331 -4.423 1.00 0.00 C ATOM 775 CD GLU A 50 10.697 15.649 -5.108 1.00 0.00 C ATOM 776 OE1 GLU A 50 9.738 16.291 -5.584 1.00 0.00 O ATOM 777 OE2 GLU A 50 11.877 16.049 -5.172 1.00 0.00 O ATOM 0 H GLU A 50 10.937 11.239 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 50 9.081 12.012 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.934 13.121 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.229 13.508 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.581 14.452 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.283 14.045 -3.824 1.00 0.00 H new ATOM 784 N SER A 51 8.709 9.807 -5.265 1.00 0.00 N ATOM 785 CA SER A 51 8.111 8.802 -6.117 1.00 0.00 C ATOM 786 C SER A 51 6.601 8.990 -6.120 1.00 0.00 C ATOM 787 O SER A 51 5.952 8.876 -5.081 1.00 0.00 O ATOM 788 CB SER A 51 8.478 7.402 -5.621 1.00 0.00 C ATOM 789 OG SER A 51 9.882 7.279 -5.443 1.00 0.00 O ATOM 0 H SER A 51 8.631 9.615 -4.266 1.00 0.00 H new ATOM 0 HA SER A 51 8.489 8.910 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.969 7.201 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.131 6.656 -6.336 1.00 0.00 H new ATOM 0 HG SER A 51 10.136 7.657 -4.575 1.00 0.00 H new ATOM 795 N SER A 52 6.058 9.309 -7.287 1.00 0.00 N ATOM 796 CA SER A 52 4.643 9.609 -7.419 1.00 0.00 C ATOM 797 C SER A 52 3.793 8.352 -7.264 1.00 0.00 C ATOM 798 O SER A 52 2.652 8.419 -6.800 1.00 0.00 O ATOM 799 CB SER A 52 4.382 10.282 -8.770 1.00 0.00 C ATOM 800 OG SER A 52 5.102 9.636 -9.811 1.00 0.00 O ATOM 0 H SER A 52 6.582 9.366 -8.160 1.00 0.00 H new ATOM 0 HA SER A 52 4.357 10.294 -6.620 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.315 10.257 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.673 11.331 -8.719 1.00 0.00 H new ATOM 0 HG SER A 52 4.917 10.083 -10.663 1.00 0.00 H new ATOM 806 N VAL A 53 4.342 7.218 -7.674 1.00 0.00 N ATOM 807 CA VAL A 53 3.662 5.941 -7.508 1.00 0.00 C ATOM 808 C VAL A 53 4.570 4.920 -6.831 1.00 0.00 C ATOM 809 O VAL A 53 5.678 4.647 -7.295 1.00 0.00 O ATOM 810 CB VAL A 53 3.154 5.372 -8.857 1.00 0.00 C ATOM 811 CG1 VAL A 53 1.985 6.192 -9.383 1.00 0.00 C ATOM 812 CG2 VAL A 53 4.271 5.326 -9.891 1.00 0.00 C ATOM 0 H VAL A 53 5.255 7.156 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 53 2.797 6.129 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 53 2.813 4.352 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.645 5.774 -10.331 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.169 6.166 -8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.303 7.224 -9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.884 4.922 -10.827 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.652 6.333 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.078 4.689 -9.527 1.00 0.00 H new ATOM 822 N LEU A 54 4.100 4.355 -5.729 1.00 0.00 N ATOM 823 CA LEU A 54 4.829 3.292 -5.050 1.00 0.00 C ATOM 824 C LEU A 54 4.386 1.940 -5.591 1.00 0.00 C ATOM 825 O LEU A 54 4.983 0.906 -5.290 1.00 0.00 O ATOM 826 CB LEU A 54 4.607 3.358 -3.537 1.00 0.00 C ATOM 827 CG LEU A 54 5.191 4.596 -2.852 1.00 0.00 C ATOM 828 CD1 LEU A 54 4.944 4.540 -1.354 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.680 4.712 -3.142 1.00 0.00 C ATOM 0 H LEU A 54 3.219 4.614 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 54 5.894 3.423 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.535 3.324 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.043 2.469 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 54 4.692 5.479 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.366 5.428 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.871 4.502 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.418 3.650 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.079 5.598 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.193 3.826 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.836 4.796 -4.218 1.00 0.00 H new ATOM 841 N SER A 55 3.343 1.972 -6.412 1.00 0.00 N ATOM 842 CA SER A 55 2.793 0.772 -7.028 1.00 0.00 C ATOM 843 C SER A 55 3.803 0.128 -7.981 1.00 0.00 C ATOM 844 O SER A 55 3.665 -1.035 -8.366 1.00 0.00 O ATOM 845 CB SER A 55 1.521 1.145 -7.783 1.00 0.00 C ATOM 846 OG SER A 55 0.761 2.086 -7.043 1.00 0.00 O ATOM 0 H SER A 55 2.855 2.830 -6.669 1.00 0.00 H new ATOM 0 HA SER A 55 2.565 0.045 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.778 1.562 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.925 0.251 -7.966 1.00 0.00 H new ATOM 0 HG SER A 55 0.527 1.704 -6.171 1.00 0.00 H new ATOM 852 N ARG A 56 4.829 0.886 -8.344 1.00 0.00 N ATOM 853 CA ARG A 56 5.858 0.407 -9.250 1.00 0.00 C ATOM 854 C ARG A 56 7.008 -0.221 -8.453 1.00 0.00 C ATOM 855 O ARG A 56 8.183 -0.075 -8.795 1.00 0.00 O ATOM 856 CB ARG A 56 6.356 1.566 -10.121 1.00 0.00 C ATOM 857 CG ARG A 56 7.279 1.138 -11.250 1.00 0.00 C ATOM 858 CD ARG A 56 7.715 2.318 -12.099 1.00 0.00 C ATOM 859 NE ARG A 56 8.759 1.936 -13.050 1.00 0.00 N ATOM 860 CZ ARG A 56 8.565 1.812 -14.363 1.00 0.00 C ATOM 861 NH1 ARG A 56 7.361 2.021 -14.881 1.00 0.00 N ATOM 862 NH2 ARG A 56 9.572 1.461 -15.154 1.00 0.00 N ATOM 0 H ARG A 56 4.969 1.843 -8.020 1.00 0.00 H new ATOM 0 HA ARG A 56 5.442 -0.361 -9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.496 2.084 -10.545 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.880 2.283 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.158 0.645 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.770 0.407 -11.878 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.856 2.716 -12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.083 3.116 -11.454 1.00 0.00 H new ATOM 0 HE ARG A 56 9.694 1.753 -12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.582 2.277 -14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.215 1.926 -15.886 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.495 1.286 -14.757 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.422 1.366 -16.159 1.00 0.00 H new ATOM 876 N GLY A 57 6.656 -0.945 -7.400 1.00 0.00 N ATOM 877 CA GLY A 57 7.651 -1.590 -6.572 1.00 0.00 C ATOM 878 C GLY A 57 7.273 -3.019 -6.248 1.00 0.00 C ATOM 879 O GLY A 57 6.099 -3.390 -6.330 1.00 0.00 O ATOM 0 H GLY A 57 5.692 -1.097 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.614 -1.576 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.773 -1.028 -5.646 1.00 0.00 H new ATOM 883 N LEU A 58 8.258 -3.827 -5.887 1.00 0.00 N ATOM 884 CA LEU A 58 8.024 -5.238 -5.618 1.00 0.00 C ATOM 885 C LEU A 58 7.894 -5.491 -4.121 1.00 0.00 C ATOM 886 O LEU A 58 8.544 -4.829 -3.308 1.00 0.00 O ATOM 887 CB LEU A 58 9.145 -6.115 -6.202 1.00 0.00 C ATOM 888 CG LEU A 58 10.530 -5.974 -5.552 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.410 -7.155 -5.927 1.00 0.00 C ATOM 890 CD2 LEU A 58 11.205 -4.678 -5.971 1.00 0.00 C ATOM 0 H LEU A 58 9.227 -3.530 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 58 7.087 -5.510 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.837 -7.158 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.241 -5.886 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 58 10.391 -5.955 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.388 -7.043 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.946 -8.079 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.527 -7.192 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.183 -4.607 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.327 -4.665 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.590 -3.832 -5.665 1.00 0.00 H new ATOM 902 N ILE A 59 7.049 -6.447 -3.766 1.00 0.00 N ATOM 903 CA ILE A 59 6.819 -6.789 -2.370 1.00 0.00 C ATOM 904 C ILE A 59 7.745 -7.923 -1.943 1.00 0.00 C ATOM 905 O ILE A 59 7.589 -9.066 -2.377 1.00 0.00 O ATOM 906 CB ILE A 59 5.351 -7.203 -2.131 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.405 -6.099 -2.617 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.115 -7.502 -0.656 1.00 0.00 C ATOM 909 CD1 ILE A 59 2.939 -6.469 -2.531 1.00 0.00 C ATOM 0 H ILE A 59 6.508 -7.002 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 59 7.031 -5.903 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 59 5.146 -8.110 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.578 -5.199 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.648 -5.854 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.075 -7.792 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.768 -8.316 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.333 -6.612 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.332 -5.639 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.750 -7.350 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.678 -6.685 -1.495 1.00 0.00 H new ATOM 921 N ALA A 60 8.713 -7.597 -1.102 1.00 0.00 N ATOM 922 CA ALA A 60 9.691 -8.572 -0.646 1.00 0.00 C ATOM 923 C ALA A 60 9.621 -8.732 0.863 1.00 0.00 C ATOM 924 O ALA A 60 9.785 -7.766 1.614 1.00 0.00 O ATOM 925 CB ALA A 60 11.090 -8.152 -1.077 1.00 0.00 C ATOM 0 H ALA A 60 8.843 -6.660 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 60 9.462 -9.536 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.814 -8.889 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.131 -8.086 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.327 -7.180 -0.645 1.00 0.00 H new ATOM 931 N GLU A 61 9.380 -9.956 1.310 1.00 0.00 N ATOM 932 CA GLU A 61 9.250 -10.234 2.728 1.00 0.00 C ATOM 933 C GLU A 61 10.616 -10.188 3.395 1.00 0.00 C ATOM 934 O GLU A 61 11.579 -10.781 2.905 1.00 0.00 O ATOM 935 CB GLU A 61 8.569 -11.597 2.940 1.00 0.00 C ATOM 936 CG GLU A 61 8.357 -11.978 4.400 1.00 0.00 C ATOM 937 CD GLU A 61 9.504 -12.787 4.972 1.00 0.00 C ATOM 938 OE1 GLU A 61 9.580 -14.000 4.694 1.00 0.00 O ATOM 939 OE2 GLU A 61 10.336 -12.218 5.701 1.00 0.00 O ATOM 0 H GLU A 61 9.271 -10.772 0.708 1.00 0.00 H new ATOM 0 HA GLU A 61 8.623 -9.470 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.603 -11.588 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.172 -12.368 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.228 -11.072 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.434 -12.551 4.490 1.00 0.00 H new ATOM 946 N HIS A 62 10.702 -9.450 4.490 1.00 0.00 N ATOM 947 CA HIS A 62 11.943 -9.307 5.230 1.00 0.00 C ATOM 948 C HIS A 62 11.696 -9.453 6.720 1.00 0.00 C ATOM 949 O HIS A 62 10.952 -8.664 7.312 1.00 0.00 O ATOM 950 CB HIS A 62 12.602 -7.957 4.938 1.00 0.00 C ATOM 951 CG HIS A 62 13.404 -7.941 3.679 1.00 0.00 C ATOM 952 ND1 HIS A 62 12.851 -7.791 2.424 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.738 -8.052 3.488 1.00 0.00 C ATOM 954 CE1 HIS A 62 13.812 -7.816 1.520 1.00 0.00 C ATOM 955 NE2 HIS A 62 14.967 -7.973 2.139 1.00 0.00 N ATOM 0 H HIS A 62 9.917 -8.936 4.889 1.00 0.00 H new ATOM 0 HA HIS A 62 12.619 -10.098 4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.829 -7.191 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 62 13.249 -7.690 5.774 1.00 0.00 H new ATOM 0 HD1 HIS A 62 11.857 -7.679 2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.486 -8.179 4.257 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.676 -7.723 0.453 1.00 0.00 H new ATOM 964 N GLN A 63 12.301 -10.485 7.307 1.00 0.00 N ATOM 965 CA GLN A 63 12.221 -10.739 8.744 1.00 0.00 C ATOM 966 C GLN A 63 10.785 -11.023 9.191 1.00 0.00 C ATOM 967 O GLN A 63 10.454 -10.887 10.372 1.00 0.00 O ATOM 968 CB GLN A 63 12.808 -9.566 9.546 1.00 0.00 C ATOM 969 CG GLN A 63 14.332 -9.538 9.586 1.00 0.00 C ATOM 970 CD GLN A 63 14.975 -9.137 8.270 1.00 0.00 C ATOM 971 OE1 GLN A 63 14.422 -8.351 7.504 1.00 0.00 O ATOM 972 NE2 GLN A 63 16.155 -9.671 8.003 1.00 0.00 N ATOM 0 H GLN A 63 12.861 -11.169 6.798 1.00 0.00 H new ATOM 0 HA GLN A 63 12.816 -11.630 8.945 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.450 -8.631 9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.430 -9.613 10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.653 -8.843 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.696 -10.525 9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.582 -10.320 8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.638 -9.434 7.136 1.00 0.00 H new ATOM 981 N GLY A 64 9.945 -11.439 8.250 1.00 0.00 N ATOM 982 CA GLY A 64 8.567 -11.751 8.567 1.00 0.00 C ATOM 983 C GLY A 64 7.609 -10.647 8.163 1.00 0.00 C ATOM 984 O GLY A 64 6.399 -10.864 8.073 1.00 0.00 O ATOM 0 H GLY A 64 10.197 -11.566 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.283 -12.675 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.477 -11.931 9.638 1.00 0.00 H new ATOM 988 N GLU A 65 8.143 -9.462 7.910 1.00 0.00 N ATOM 989 CA GLU A 65 7.317 -8.322 7.558 1.00 0.00 C ATOM 990 C GLU A 65 7.330 -8.093 6.054 1.00 0.00 C ATOM 991 O GLU A 65 8.315 -8.392 5.374 1.00 0.00 O ATOM 992 CB GLU A 65 7.773 -7.056 8.291 1.00 0.00 C ATOM 993 CG GLU A 65 7.338 -6.988 9.750 1.00 0.00 C ATOM 994 CD GLU A 65 8.059 -7.975 10.646 1.00 0.00 C ATOM 995 OE1 GLU A 65 9.144 -7.628 11.158 1.00 0.00 O ATOM 996 OE2 GLU A 65 7.535 -9.088 10.866 1.00 0.00 O ATOM 0 H GLU A 65 9.144 -9.267 7.942 1.00 0.00 H new ATOM 0 HA GLU A 65 6.297 -8.545 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.860 -6.994 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.382 -6.185 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.509 -5.979 10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.265 -7.173 9.809 1.00 0.00 H new ATOM 1003 N LEU A 66 6.231 -7.570 5.540 1.00 0.00 N ATOM 1004 CA LEU A 66 6.098 -7.320 4.118 1.00 0.00 C ATOM 1005 C LEU A 66 6.584 -5.919 3.777 1.00 0.00 C ATOM 1006 O LEU A 66 5.943 -4.925 4.125 1.00 0.00 O ATOM 1007 CB LEU A 66 4.642 -7.497 3.691 1.00 0.00 C ATOM 1008 CG LEU A 66 4.072 -8.894 3.935 1.00 0.00 C ATOM 1009 CD1 LEU A 66 2.578 -8.911 3.669 1.00 0.00 C ATOM 1010 CD2 LEU A 66 4.782 -9.918 3.060 1.00 0.00 C ATOM 0 H LEU A 66 5.413 -7.309 6.091 1.00 0.00 H new ATOM 0 HA LEU A 66 6.713 -8.038 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.030 -6.771 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.558 -7.265 2.629 1.00 0.00 H new ATOM 0 HG LEU A 66 4.239 -9.158 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.188 -9.913 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.082 -8.205 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.390 -8.627 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.364 -10.907 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.645 -9.657 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.846 -9.923 3.296 1.00 0.00 H new ATOM 1022 N TRP A 67 7.726 -5.850 3.116 1.00 0.00 N ATOM 1023 CA TRP A 67 8.298 -4.578 2.717 1.00 0.00 C ATOM 1024 C TRP A 67 8.211 -4.417 1.209 1.00 0.00 C ATOM 1025 O TRP A 67 8.580 -5.320 0.458 1.00 0.00 O ATOM 1026 CB TRP A 67 9.765 -4.482 3.157 1.00 0.00 C ATOM 1027 CG TRP A 67 9.972 -4.630 4.635 1.00 0.00 C ATOM 1028 CD1 TRP A 67 10.111 -5.796 5.327 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.077 -3.576 5.601 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.292 -5.537 6.663 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.275 -4.181 6.857 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.021 -2.181 5.526 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.415 -3.439 8.027 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.164 -1.446 6.689 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.358 -2.076 7.924 1.00 0.00 C ATOM 0 H TRP A 67 8.277 -6.664 2.844 1.00 0.00 H new ATOM 0 HA TRP A 67 7.731 -3.782 3.201 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.339 -5.252 2.642 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.166 -3.520 2.839 1.00 0.00 H new ATOM 0 HD1 TRP A 67 10.083 -6.782 4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.418 -6.239 7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 67 9.869 -1.687 4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.563 -3.922 8.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.125 -0.368 6.644 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.465 -1.474 8.814 1.00 0.00 H new ATOM 1046 N VAL A 68 7.716 -3.279 0.765 1.00 0.00 N ATOM 1047 CA VAL A 68 7.693 -2.983 -0.654 1.00 0.00 C ATOM 1048 C VAL A 68 8.905 -2.132 -1.011 1.00 0.00 C ATOM 1049 O VAL A 68 9.155 -1.089 -0.402 1.00 0.00 O ATOM 1050 CB VAL A 68 6.381 -2.283 -1.092 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.160 -0.982 -0.337 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.381 -2.037 -2.594 1.00 0.00 C ATOM 0 H VAL A 68 7.327 -2.549 1.361 1.00 0.00 H new ATOM 0 HA VAL A 68 7.734 -3.928 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 68 5.555 -2.950 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.231 -0.521 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.099 -1.187 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.991 -0.304 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.452 -1.545 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.226 -1.401 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.465 -2.989 -3.119 1.00 0.00 H new ATOM 1062 N ALA A 69 9.680 -2.610 -1.969 1.00 0.00 N ATOM 1063 CA ALA A 69 10.901 -1.937 -2.364 1.00 0.00 C ATOM 1064 C ALA A 69 10.699 -1.184 -3.667 1.00 0.00 C ATOM 1065 O ALA A 69 10.297 -1.768 -4.675 1.00 0.00 O ATOM 1066 CB ALA A 69 12.038 -2.939 -2.496 1.00 0.00 C ATOM 0 H ALA A 69 9.483 -3.465 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 69 11.164 -1.215 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.949 -2.419 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.199 -3.435 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.782 -3.682 -3.251 1.00 0.00 H new ATOM 1072 N SER A 70 10.956 0.112 -3.636 1.00 0.00 N ATOM 1073 CA SER A 70 10.842 0.937 -4.826 1.00 0.00 C ATOM 1074 C SER A 70 12.137 0.886 -5.637 1.00 0.00 C ATOM 1075 O SER A 70 13.171 1.391 -5.196 1.00 0.00 O ATOM 1076 CB SER A 70 10.519 2.377 -4.428 1.00 0.00 C ATOM 1077 OG SER A 70 9.417 2.420 -3.538 1.00 0.00 O ATOM 0 H SER A 70 11.246 0.617 -2.798 1.00 0.00 H new ATOM 0 HA SER A 70 10.034 0.551 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.390 2.833 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.295 2.963 -5.319 1.00 0.00 H new ATOM 0 HG SER A 70 9.328 3.324 -3.171 1.00 0.00 H new ATOM 1083 N PRO A 71 12.099 0.267 -6.830 1.00 0.00 N ATOM 1084 CA PRO A 71 13.270 0.122 -7.706 1.00 0.00 C ATOM 1085 C PRO A 71 13.686 1.438 -8.358 1.00 0.00 C ATOM 1086 O PRO A 71 14.652 1.488 -9.119 1.00 0.00 O ATOM 1087 CB PRO A 71 12.811 -0.881 -8.776 1.00 0.00 C ATOM 1088 CG PRO A 71 11.518 -1.436 -8.277 1.00 0.00 C ATOM 1089 CD PRO A 71 10.917 -0.364 -7.421 1.00 0.00 C ATOM 0 HA PRO A 71 14.145 -0.206 -7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.681 -0.392 -9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.549 -1.671 -8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.857 -1.692 -9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.680 -2.349 -7.704 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.330 0.343 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.253 -0.776 -6.661 1.00 0.00 H new ATOM 1097 N LEU A 72 12.947 2.503 -8.060 1.00 0.00 N ATOM 1098 CA LEU A 72 13.305 3.837 -8.530 1.00 0.00 C ATOM 1099 C LEU A 72 14.656 4.236 -7.947 1.00 0.00 C ATOM 1100 O LEU A 72 15.436 4.952 -8.576 1.00 0.00 O ATOM 1101 CB LEU A 72 12.232 4.867 -8.140 1.00 0.00 C ATOM 1102 CG LEU A 72 10.880 4.728 -8.858 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.089 3.539 -8.332 1.00 0.00 C ATOM 1104 CD2 LEU A 72 10.069 6.004 -8.714 1.00 0.00 C ATOM 0 H LEU A 72 12.098 2.468 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 72 13.370 3.817 -9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.061 4.796 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.625 5.865 -8.335 1.00 0.00 H new ATOM 0 HG LEU A 72 11.083 4.554 -9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.139 3.471 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.659 2.624 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.901 3.670 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.115 5.889 -9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.890 6.204 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.619 6.836 -9.153 1.00 0.00 H new ATOM 1116 N LYS A 73 14.915 3.757 -6.739 1.00 0.00 N ATOM 1117 CA LYS A 73 16.213 3.894 -6.102 1.00 0.00 C ATOM 1118 C LYS A 73 16.408 2.707 -5.168 1.00 0.00 C ATOM 1119 O LYS A 73 17.134 1.767 -5.495 1.00 0.00 O ATOM 1120 CB LYS A 73 16.306 5.210 -5.323 1.00 0.00 C ATOM 1121 CG LYS A 73 17.731 5.682 -5.086 1.00 0.00 C ATOM 1122 CD LYS A 73 18.374 6.156 -6.378 1.00 0.00 C ATOM 1123 CE LYS A 73 19.785 6.675 -6.153 1.00 0.00 C ATOM 1124 NZ LYS A 73 20.363 7.240 -7.400 1.00 0.00 N ATOM 0 H LYS A 73 14.227 3.261 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 73 16.996 3.910 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.763 5.983 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.809 5.088 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.732 6.493 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.320 4.870 -4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.400 5.334 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.764 6.944 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.773 7.440 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.418 5.865 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.326 7.585 -7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.397 6.502 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.771 8.029 -7.731 1.00 0.00 H new ATOM 1138 N LYS A 74 15.719 2.759 -4.025 1.00 0.00 N ATOM 1139 CA LYS A 74 15.627 1.646 -3.081 1.00 0.00 C ATOM 1140 C LYS A 74 14.980 2.120 -1.782 1.00 0.00 C ATOM 1141 O LYS A 74 15.648 2.286 -0.760 1.00 0.00 O ATOM 1142 CB LYS A 74 16.993 1.011 -2.779 1.00 0.00 C ATOM 1143 CG LYS A 74 16.899 -0.272 -1.959 1.00 0.00 C ATOM 1144 CD LYS A 74 16.077 -1.341 -2.666 1.00 0.00 C ATOM 1145 CE LYS A 74 16.761 -1.839 -3.930 1.00 0.00 C ATOM 1146 NZ LYS A 74 18.037 -2.545 -3.634 1.00 0.00 N ATOM 0 H LYS A 74 15.203 3.587 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 74 15.011 0.878 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.501 0.796 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.609 1.732 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.902 -0.654 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.451 -0.051 -0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.912 -2.179 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.097 -0.937 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.090 -2.512 -4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.959 -0.995 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.348 -3.068 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.765 -1.851 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.891 -3.210 -2.848 1.00 0.00 H new ATOM 1160 N GLN A 75 13.683 2.380 -1.840 1.00 0.00 N ATOM 1161 CA GLN A 75 12.936 2.787 -0.659 1.00 0.00 C ATOM 1162 C GLN A 75 12.172 1.595 -0.104 1.00 0.00 C ATOM 1163 O GLN A 75 11.702 0.746 -0.864 1.00 0.00 O ATOM 1164 CB GLN A 75 11.970 3.935 -0.978 1.00 0.00 C ATOM 1165 CG GLN A 75 12.646 5.161 -1.580 1.00 0.00 C ATOM 1166 CD GLN A 75 12.703 5.116 -3.095 1.00 0.00 C ATOM 1167 OE1 GLN A 75 13.634 4.565 -3.683 1.00 0.00 O ATOM 1168 NE2 GLN A 75 11.716 5.718 -3.736 1.00 0.00 N ATOM 0 H GLN A 75 13.126 2.317 -2.692 1.00 0.00 H new ATOM 0 HA GLN A 75 13.643 3.147 0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.209 3.575 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.455 4.228 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.109 6.057 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.659 5.243 -1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.963 6.163 -3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.707 5.738 -4.756 1.00 0.00 H new ATOM 1177 N ARG A 76 12.064 1.524 1.217 1.00 0.00 N ATOM 1178 CA ARG A 76 11.457 0.373 1.875 1.00 0.00 C ATOM 1179 C ARG A 76 10.262 0.792 2.727 1.00 0.00 C ATOM 1180 O ARG A 76 10.414 1.524 3.709 1.00 0.00 O ATOM 1181 CB ARG A 76 12.497 -0.323 2.754 1.00 0.00 C ATOM 1182 CG ARG A 76 13.739 -0.761 1.997 1.00 0.00 C ATOM 1183 CD ARG A 76 14.867 -1.121 2.947 1.00 0.00 C ATOM 1184 NE ARG A 76 15.268 0.017 3.773 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.190 -0.039 4.731 1.00 0.00 C ATOM 1186 NH1 ARG A 76 16.818 -1.178 5.002 1.00 0.00 N ATOM 1187 NH2 ARG A 76 16.469 1.055 5.424 1.00 0.00 N ATOM 0 H ARG A 76 12.389 2.251 1.855 1.00 0.00 H new ATOM 0 HA ARG A 76 11.103 -0.314 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.791 0.352 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.040 -1.195 3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.501 -1.620 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.063 0.039 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.552 -1.943 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.725 -1.474 2.375 1.00 0.00 H new ATOM 0 HE ARG A 76 14.811 0.913 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.595 -2.021 4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.523 -1.209 5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.979 1.926 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.174 1.026 6.161 1.00 0.00 H new ATOM 1201 N PHE A 77 9.079 0.328 2.348 1.00 0.00 N ATOM 1202 CA PHE A 77 7.865 0.622 3.099 1.00 0.00 C ATOM 1203 C PHE A 77 7.265 -0.654 3.680 1.00 0.00 C ATOM 1204 O PHE A 77 7.189 -1.682 3.006 1.00 0.00 O ATOM 1205 CB PHE A 77 6.838 1.335 2.214 1.00 0.00 C ATOM 1206 CG PHE A 77 7.237 2.733 1.823 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.044 2.958 0.718 1.00 0.00 C ATOM 1208 CD2 PHE A 77 6.801 3.822 2.562 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.408 4.242 0.360 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.161 5.108 2.208 1.00 0.00 C ATOM 1211 CZ PHE A 77 7.966 5.319 1.105 1.00 0.00 C ATOM 0 H PHE A 77 8.934 -0.255 1.524 1.00 0.00 H new ATOM 0 HA PHE A 77 8.132 1.284 3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.680 0.746 1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.884 1.373 2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.392 2.121 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.172 3.663 3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.038 4.404 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.814 5.947 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.249 6.323 0.826 1.00 0.00 H new ATOM 1221 N ARG A 78 6.845 -0.572 4.932 1.00 0.00 N ATOM 1222 CA ARG A 78 6.279 -1.707 5.651 1.00 0.00 C ATOM 1223 C ARG A 78 4.759 -1.716 5.513 1.00 0.00 C ATOM 1224 O ARG A 78 4.054 -0.970 6.193 1.00 0.00 O ATOM 1225 CB ARG A 78 6.696 -1.620 7.122 1.00 0.00 C ATOM 1226 CG ARG A 78 6.046 -2.635 8.044 1.00 0.00 C ATOM 1227 CD ARG A 78 6.549 -2.452 9.466 1.00 0.00 C ATOM 1228 NE ARG A 78 5.749 -3.175 10.448 1.00 0.00 N ATOM 1229 CZ ARG A 78 5.677 -2.835 11.736 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.364 -1.791 12.190 1.00 0.00 N ATOM 1231 NH2 ARG A 78 4.924 -3.542 12.567 1.00 0.00 N ATOM 0 H ARG A 78 6.886 0.286 5.482 1.00 0.00 H new ATOM 0 HA ARG A 78 6.656 -2.638 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.778 -1.739 7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.464 -0.620 7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.962 -2.520 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.268 -3.645 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.583 -2.791 9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.546 -1.390 9.713 1.00 0.00 H new ATOM 0 HE ARG A 78 5.215 -3.985 10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.947 -1.248 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.308 -1.533 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.400 -4.346 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.869 -3.282 13.552 1.00 0.00 H new ATOM 1245 N LEU A 79 4.268 -2.577 4.633 1.00 0.00 N ATOM 1246 CA LEU A 79 2.851 -2.620 4.280 1.00 0.00 C ATOM 1247 C LEU A 79 1.980 -2.981 5.476 1.00 0.00 C ATOM 1248 O LEU A 79 0.881 -2.444 5.647 1.00 0.00 O ATOM 1249 CB LEU A 79 2.631 -3.652 3.174 1.00 0.00 C ATOM 1250 CG LEU A 79 3.469 -3.442 1.917 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.319 -4.630 0.981 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.059 -2.153 1.224 1.00 0.00 C ATOM 0 H LEU A 79 4.838 -3.266 4.142 1.00 0.00 H new ATOM 0 HA LEU A 79 2.565 -1.625 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.847 -4.642 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.577 -3.644 2.895 1.00 0.00 H new ATOM 0 HG LEU A 79 4.518 -3.361 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.922 -4.468 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.655 -5.536 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.272 -4.740 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.664 -2.013 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.006 -2.208 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.212 -1.312 1.900 1.00 0.00 H new ATOM 1264 N SER A 80 2.492 -3.883 6.300 1.00 0.00 N ATOM 1265 CA SER A 80 1.744 -4.457 7.409 1.00 0.00 C ATOM 1266 C SER A 80 1.198 -3.391 8.368 1.00 0.00 C ATOM 1267 O SER A 80 0.099 -3.537 8.907 1.00 0.00 O ATOM 1268 CB SER A 80 2.656 -5.426 8.155 1.00 0.00 C ATOM 1269 OG SER A 80 3.461 -6.155 7.239 1.00 0.00 O ATOM 0 H SER A 80 3.444 -4.240 6.218 1.00 0.00 H new ATOM 0 HA SER A 80 0.876 -4.978 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.291 -4.876 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.056 -6.115 8.750 1.00 0.00 H new ATOM 0 HG SER A 80 4.042 -6.771 7.732 1.00 0.00 H new ATOM 1275 N ASP A 81 1.949 -2.313 8.568 1.00 0.00 N ATOM 1276 CA ASP A 81 1.546 -1.291 9.533 1.00 0.00 C ATOM 1277 C ASP A 81 1.522 0.102 8.910 1.00 0.00 C ATOM 1278 O ASP A 81 0.810 0.986 9.382 1.00 0.00 O ATOM 1279 CB ASP A 81 2.477 -1.314 10.746 1.00 0.00 C ATOM 1280 CG ASP A 81 2.018 -0.385 11.852 1.00 0.00 C ATOM 1281 OD1 ASP A 81 0.860 -0.514 12.301 1.00 0.00 O ATOM 1282 OD2 ASP A 81 2.810 0.477 12.278 1.00 0.00 O ATOM 0 H ASP A 81 2.827 -2.124 8.084 1.00 0.00 H new ATOM 0 HA ASP A 81 0.531 -1.523 9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.538 -2.331 11.133 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.482 -1.031 10.433 1.00 0.00 H new ATOM 1287 N GLY A 82 2.286 0.293 7.844 1.00 0.00 N ATOM 1288 CA GLY A 82 2.324 1.586 7.181 1.00 0.00 C ATOM 1289 C GLY A 82 3.601 2.341 7.479 1.00 0.00 C ATOM 1290 O GLY A 82 3.807 3.454 6.998 1.00 0.00 O ATOM 0 H GLY A 82 2.881 -0.422 7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.230 1.444 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.468 2.182 7.500 1.00 0.00 H new ATOM 1294 N LEU A 83 4.453 1.720 8.276 1.00 0.00 N ATOM 1295 CA LEU A 83 5.726 2.309 8.659 1.00 0.00 C ATOM 1296 C LEU A 83 6.685 2.350 7.474 1.00 0.00 C ATOM 1297 O LEU A 83 6.617 1.512 6.581 1.00 0.00 O ATOM 1298 CB LEU A 83 6.358 1.489 9.789 1.00 0.00 C ATOM 1299 CG LEU A 83 7.690 2.025 10.316 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.464 3.239 11.198 1.00 0.00 C ATOM 1301 CD2 LEU A 83 8.449 0.941 11.065 1.00 0.00 C ATOM 0 H LEU A 83 4.284 0.797 8.675 1.00 0.00 H new ATOM 0 HA LEU A 83 5.541 3.328 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.652 1.438 10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.509 0.469 9.435 1.00 0.00 H new ATOM 0 HG LEU A 83 8.298 2.332 9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.423 3.607 11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.972 4.022 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.835 2.962 12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.393 1.345 11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.851 0.595 11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.647 0.106 10.394 1.00 0.00 H new ATOM 1313 N CYS A 84 7.568 3.329 7.467 1.00 0.00 N ATOM 1314 CA CYS A 84 8.659 3.359 6.510 1.00 0.00 C ATOM 1315 C CYS A 84 9.944 2.995 7.238 1.00 0.00 C ATOM 1316 O CYS A 84 10.097 3.317 8.411 1.00 0.00 O ATOM 1317 CB CYS A 84 8.775 4.740 5.865 1.00 0.00 C ATOM 1318 SG CYS A 84 10.086 4.872 4.627 1.00 0.00 S ATOM 0 H CYS A 84 7.552 4.117 8.115 1.00 0.00 H new ATOM 0 HA CYS A 84 8.470 2.641 5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.823 4.992 5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 84 8.952 5.480 6.646 1.00 0.00 H new ATOM 0 HG CYS A 84 10.358 3.691 4.156 1.00 0.00 H new ATOM 1324 N MET A 85 10.852 2.315 6.563 1.00 0.00 N ATOM 1325 CA MET A 85 12.081 1.862 7.203 1.00 0.00 C ATOM 1326 C MET A 85 12.963 3.051 7.584 1.00 0.00 C ATOM 1327 O MET A 85 13.319 3.226 8.750 1.00 0.00 O ATOM 1328 CB MET A 85 12.840 0.908 6.281 1.00 0.00 C ATOM 1329 CG MET A 85 13.510 -0.252 7.007 1.00 0.00 C ATOM 1330 SD MET A 85 14.762 0.265 8.195 1.00 0.00 S ATOM 1331 CE MET A 85 15.299 -1.327 8.818 1.00 0.00 C ATOM 0 H MET A 85 10.767 2.064 5.578 1.00 0.00 H new ATOM 0 HA MET A 85 11.816 1.328 8.115 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.148 0.508 5.539 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.599 1.471 5.738 1.00 0.00 H new ATOM 0 HG2 MET A 85 12.748 -0.834 7.525 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.970 -0.912 6.272 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.077 -1.181 9.567 1.00 0.00 H new ATOM 0 HE2 MET A 85 14.453 -1.845 9.270 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.694 -1.925 7.997 1.00 0.00 H new ATOM 1341 N GLU A 86 13.303 3.875 6.604 1.00 0.00 N ATOM 1342 CA GLU A 86 14.165 5.023 6.853 1.00 0.00 C ATOM 1343 C GLU A 86 13.392 6.195 7.466 1.00 0.00 C ATOM 1344 O GLU A 86 13.941 6.968 8.250 1.00 0.00 O ATOM 1345 CB GLU A 86 14.855 5.477 5.564 1.00 0.00 C ATOM 1346 CG GLU A 86 15.772 4.433 4.944 1.00 0.00 C ATOM 1347 CD GLU A 86 15.109 3.635 3.837 1.00 0.00 C ATOM 1348 OE1 GLU A 86 14.346 2.698 4.145 1.00 0.00 O ATOM 1349 OE2 GLU A 86 15.375 3.930 2.655 1.00 0.00 O ATOM 0 H GLU A 86 12.999 3.773 5.636 1.00 0.00 H new ATOM 0 HA GLU A 86 14.921 4.703 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.093 5.753 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.436 6.375 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.658 4.928 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.112 3.749 5.722 1.00 0.00 H new ATOM 1356 N ASP A 87 12.116 6.313 7.121 1.00 0.00 N ATOM 1357 CA ASP A 87 11.298 7.448 7.564 1.00 0.00 C ATOM 1358 C ASP A 87 10.515 7.098 8.826 1.00 0.00 C ATOM 1359 O ASP A 87 9.603 7.819 9.215 1.00 0.00 O ATOM 1360 CB ASP A 87 10.336 7.907 6.461 1.00 0.00 C ATOM 1361 CG ASP A 87 9.938 9.369 6.610 1.00 0.00 C ATOM 1362 OD1 ASP A 87 8.931 9.659 7.293 1.00 0.00 O ATOM 1363 OD2 ASP A 87 10.641 10.235 6.046 1.00 0.00 O ATOM 0 H ASP A 87 11.620 5.640 6.536 1.00 0.00 H new ATOM 0 HA ASP A 87 11.978 8.269 7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.805 7.758 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.441 7.286 6.482 1.00 0.00 H new ATOM 1368 N GLU A 88 10.857 5.958 9.428 1.00 0.00 N ATOM 1369 CA GLU A 88 10.147 5.403 10.596 1.00 0.00 C ATOM 1370 C GLU A 88 9.726 6.456 11.633 1.00 0.00 C ATOM 1371 O GLU A 88 8.742 6.255 12.350 1.00 0.00 O ATOM 1372 CB GLU A 88 11.014 4.340 11.277 1.00 0.00 C ATOM 1373 CG GLU A 88 12.312 4.881 11.852 1.00 0.00 C ATOM 1374 CD GLU A 88 13.103 3.820 12.586 1.00 0.00 C ATOM 1375 OE1 GLU A 88 12.546 3.186 13.500 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.293 3.623 12.263 1.00 0.00 O ATOM 0 H GLU A 88 11.642 5.383 9.120 1.00 0.00 H new ATOM 0 HA GLU A 88 9.227 4.966 10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.439 3.875 12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.246 3.557 10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.920 5.292 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.090 5.702 12.534 1.00 0.00 H new ATOM 1383 N GLN A 89 10.463 7.561 11.713 1.00 0.00 N ATOM 1384 CA GLN A 89 10.137 8.654 12.628 1.00 0.00 C ATOM 1385 C GLN A 89 8.692 9.123 12.438 1.00 0.00 C ATOM 1386 O GLN A 89 7.955 9.306 13.409 1.00 0.00 O ATOM 1387 CB GLN A 89 11.084 9.831 12.395 1.00 0.00 C ATOM 1388 CG GLN A 89 12.553 9.488 12.564 1.00 0.00 C ATOM 1389 CD GLN A 89 13.458 10.639 12.181 1.00 0.00 C ATOM 1390 OE1 GLN A 89 13.093 11.805 12.325 1.00 0.00 O ATOM 1391 NE2 GLN A 89 14.641 10.323 11.687 1.00 0.00 N ATOM 0 H GLN A 89 11.298 7.725 11.150 1.00 0.00 H new ATOM 0 HA GLN A 89 10.251 8.283 13.646 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.926 10.217 11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.827 10.633 13.088 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.742 9.209 13.601 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.794 8.619 11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.905 9.343 11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.290 11.059 11.409 1.00 0.00 H new ATOM 1400 N PHE A 90 8.293 9.305 11.184 1.00 0.00 N ATOM 1401 CA PHE A 90 6.954 9.788 10.868 1.00 0.00 C ATOM 1402 C PHE A 90 6.242 8.819 9.929 1.00 0.00 C ATOM 1403 O PHE A 90 5.153 8.333 10.239 1.00 0.00 O ATOM 1404 CB PHE A 90 7.031 11.184 10.244 1.00 0.00 C ATOM 1405 CG PHE A 90 5.690 11.802 9.960 1.00 0.00 C ATOM 1406 CD1 PHE A 90 4.775 12.005 10.980 1.00 0.00 C ATOM 1407 CD2 PHE A 90 5.351 12.187 8.674 1.00 0.00 C ATOM 1408 CE1 PHE A 90 3.545 12.579 10.722 1.00 0.00 C ATOM 1409 CE2 PHE A 90 4.121 12.762 8.410 1.00 0.00 C ATOM 1410 CZ PHE A 90 3.218 12.957 9.436 1.00 0.00 C ATOM 0 H PHE A 90 8.879 9.125 10.369 1.00 0.00 H new ATOM 0 HA PHE A 90 6.379 9.851 11.792 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.587 11.840 10.914 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.596 11.124 9.314 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.026 11.711 11.989 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.054 12.037 7.868 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.840 12.732 11.526 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.867 13.058 7.403 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.257 13.405 9.232 1.00 0.00 H new ATOM 1420 N SER A 91 6.870 8.548 8.784 1.00 0.00 N ATOM 1421 CA SER A 91 6.358 7.594 7.804 1.00 0.00 C ATOM 1422 C SER A 91 5.076 8.093 7.134 1.00 0.00 C ATOM 1423 O SER A 91 4.654 9.236 7.335 1.00 0.00 O ATOM 1424 CB SER A 91 6.130 6.228 8.456 1.00 0.00 C ATOM 1425 OG SER A 91 7.340 5.727 8.998 1.00 0.00 O ATOM 0 H SER A 91 7.750 8.986 8.511 1.00 0.00 H new ATOM 0 HA SER A 91 7.112 7.491 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.381 6.315 9.243 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.738 5.528 7.719 1.00 0.00 H new ATOM 0 HG SER A 91 7.979 6.462 9.107 1.00 0.00 H new ATOM 1431 N VAL A 92 4.468 7.231 6.331 1.00 0.00 N ATOM 1432 CA VAL A 92 3.281 7.593 5.574 1.00 0.00 C ATOM 1433 C VAL A 92 2.012 7.188 6.317 1.00 0.00 C ATOM 1434 O VAL A 92 2.071 6.540 7.364 1.00 0.00 O ATOM 1435 CB VAL A 92 3.290 6.946 4.171 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.458 7.471 3.349 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.345 5.427 4.272 1.00 0.00 C ATOM 0 H VAL A 92 4.781 6.271 6.188 1.00 0.00 H new ATOM 0 HA VAL A 92 3.292 8.677 5.458 1.00 0.00 H new ATOM 0 HB VAL A 92 2.363 7.217 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.449 7.004 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.369 8.552 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.394 7.233 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.350 4.996 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.251 5.130 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.473 5.067 4.818 1.00 0.00 H new ATOM 1447 N LYS A 93 0.869 7.573 5.771 1.00 0.00 N ATOM 1448 CA LYS A 93 -0.412 7.281 6.390 1.00 0.00 C ATOM 1449 C LYS A 93 -0.948 5.938 5.902 1.00 0.00 C ATOM 1450 O LYS A 93 -1.164 5.740 4.704 1.00 0.00 O ATOM 1451 CB LYS A 93 -1.412 8.400 6.084 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.772 8.213 6.741 1.00 0.00 C ATOM 1453 CD LYS A 93 -3.691 9.395 6.473 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.202 10.663 7.166 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.286 10.563 8.650 1.00 0.00 N ATOM 0 H LYS A 93 0.804 8.092 4.895 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.273 7.222 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.990 9.350 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.548 8.467 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.235 7.300 6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.643 8.088 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.754 9.570 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.698 9.158 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.170 10.859 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.796 11.512 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.124 11.500 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.229 10.220 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.564 9.899 8.995 1.00 0.00 H new ATOM 1469 N HIS A 94 -1.130 5.013 6.833 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.685 3.703 6.527 1.00 0.00 C ATOM 1471 C HIS A 94 -3.200 3.739 6.683 1.00 0.00 C ATOM 1472 O HIS A 94 -3.709 4.133 7.729 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.078 2.644 7.455 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.581 1.248 7.227 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.512 0.643 8.040 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.253 0.329 6.289 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.734 -0.587 7.618 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -1.981 -0.808 6.553 1.00 0.00 N ATOM 0 H HIS A 94 -0.898 5.148 7.817 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.441 3.441 5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.005 2.650 7.332 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.283 2.925 8.488 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -2.961 1.079 8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.549 0.464 5.481 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.416 -1.294 8.066 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.913 3.334 5.647 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.368 3.364 5.667 1.00 0.00 C ATOM 1489 C TYR A 95 -5.921 2.002 6.052 1.00 0.00 C ATOM 1490 O TYR A 95 -5.195 1.006 6.052 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.916 3.783 4.300 1.00 0.00 C ATOM 1492 CG TYR A 95 -5.473 5.161 3.863 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -4.250 5.354 3.231 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -6.280 6.268 4.081 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -3.846 6.612 2.832 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -5.886 7.528 3.683 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.668 7.695 3.059 1.00 0.00 C ATOM 1498 OH TYR A 95 -4.270 8.949 2.662 1.00 0.00 O ATOM 0 H TYR A 95 -3.509 2.980 4.780 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.684 4.096 6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.599 3.055 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.005 3.754 4.331 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.606 4.506 3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.234 6.141 4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.892 6.747 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.528 8.379 3.859 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.963 9.601 2.895 1.00 0.00 H new ATOM 1508 N GLU A 96 -7.204 1.958 6.378 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.848 0.709 6.747 1.00 0.00 C ATOM 1510 C GLU A 96 -8.433 0.055 5.505 1.00 0.00 C ATOM 1511 O GLU A 96 -9.329 0.609 4.872 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.937 0.973 7.786 1.00 0.00 C ATOM 1513 CG GLU A 96 -8.404 1.592 9.068 1.00 0.00 C ATOM 1514 CD GLU A 96 -9.504 2.115 9.963 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -10.050 3.195 9.663 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -9.836 1.457 10.969 1.00 0.00 O ATOM 0 H GLU A 96 -7.818 2.772 6.394 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.114 0.033 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.688 1.635 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.438 0.035 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.822 0.848 9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.725 2.408 8.818 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.918 -1.109 5.150 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.310 -1.761 3.911 1.00 0.00 C ATOM 1525 C ALA A 97 -8.800 -3.181 4.152 1.00 0.00 C ATOM 1526 O ALA A 97 -8.383 -3.839 5.106 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.143 -1.771 2.937 1.00 0.00 C ATOM 0 H ALA A 97 -7.229 -1.622 5.700 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.136 -1.193 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.446 -2.261 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.839 -0.746 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.306 -2.313 3.378 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.701 -3.632 3.289 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.168 -5.012 3.296 1.00 0.00 C ATOM 1535 C ARG A 98 -10.909 -5.302 1.999 1.00 0.00 C ATOM 1536 O ARG A 98 -11.180 -4.387 1.218 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.088 -5.294 4.491 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.484 -4.712 4.348 1.00 0.00 C ATOM 1539 CD ARG A 98 -13.407 -5.225 5.439 1.00 0.00 C ATOM 1540 NE ARG A 98 -14.791 -4.803 5.234 1.00 0.00 N ATOM 1541 CZ ARG A 98 -15.839 -5.363 5.846 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -15.664 -6.393 6.666 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.063 -4.896 5.631 1.00 0.00 N ATOM 0 H ARG A 98 -10.128 -3.053 2.566 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.298 -5.663 3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.168 -6.372 4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.628 -4.891 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.434 -3.624 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.891 -4.973 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.361 -6.314 5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.058 -4.865 6.407 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.968 -4.036 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.727 -6.760 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.467 -6.817 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.205 -4.109 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.862 -5.324 6.099 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.234 -6.563 1.771 1.00 0.00 N ATOM 1558 CA VAL A 99 -11.985 -6.952 0.590 1.00 0.00 C ATOM 1559 C VAL A 99 -13.433 -7.260 0.964 1.00 0.00 C ATOM 1560 O VAL A 99 -13.714 -8.236 1.657 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.346 -8.171 -0.107 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.118 -8.545 -1.361 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -9.891 -7.886 -0.443 1.00 0.00 C ATOM 0 H VAL A 99 -10.989 -7.336 2.390 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.965 -6.116 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.386 -9.016 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.648 -9.407 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.146 -8.793 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.115 -7.704 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.454 -8.755 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.833 -7.025 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.341 -7.673 0.474 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.337 -6.402 0.522 1.00 0.00 N ATOM 1574 CA LYS A 100 -15.752 -6.538 0.828 1.00 0.00 C ATOM 1575 C LYS A 100 -16.508 -7.012 -0.401 1.00 0.00 C ATOM 1576 O LYS A 100 -16.544 -6.312 -1.410 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.309 -5.190 1.267 1.00 0.00 C ATOM 1578 CG LYS A 100 -17.701 -5.245 1.876 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.271 -3.847 2.073 1.00 0.00 C ATOM 1580 CE LYS A 100 -18.565 -3.165 0.746 1.00 0.00 C ATOM 1581 NZ LYS A 100 -19.573 -3.903 -0.060 1.00 0.00 N ATOM 0 H LYS A 100 -14.112 -5.593 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 100 -15.872 -7.268 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.626 -4.750 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.330 -4.523 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.361 -5.822 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.661 -5.763 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.187 -3.907 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.565 -3.244 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.924 -2.153 0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.641 -3.076 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.615 -3.499 -1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.304 -4.906 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.506 -3.821 0.392 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.092 -8.204 -0.315 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.874 -8.777 -1.420 1.00 0.00 C ATOM 1597 C ASP A 101 -16.990 -9.031 -2.635 1.00 0.00 C ATOM 1598 O ASP A 101 -17.481 -9.205 -3.752 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.032 -7.850 -1.820 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.017 -7.611 -0.698 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.927 -8.446 -0.514 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -19.896 -6.584 0.002 1.00 0.00 O ATOM 0 H ASP A 101 -17.041 -8.799 0.512 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.285 -9.724 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -18.626 -6.893 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.558 -8.283 -2.671 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.686 -9.059 -2.409 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.750 -9.219 -3.498 1.00 0.00 C ATOM 1609 C GLY A 102 -14.311 -7.888 -4.071 1.00 0.00 C ATOM 1610 O GLY A 102 -13.702 -7.836 -5.137 1.00 0.00 O ATOM 0 H GLY A 102 -15.259 -8.973 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.876 -9.768 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.208 -9.818 -4.285 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.620 -6.807 -3.366 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.241 -5.474 -3.809 1.00 0.00 C ATOM 1616 C VAL A 103 -13.278 -4.847 -2.807 1.00 0.00 C ATOM 1617 O VAL A 103 -13.466 -4.972 -1.598 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.480 -4.566 -3.975 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.086 -3.187 -4.478 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.494 -5.205 -4.913 1.00 0.00 C ATOM 0 H VAL A 103 -15.133 -6.829 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.752 -5.568 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 103 -15.941 -4.449 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.978 -2.570 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.406 -2.720 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.591 -3.280 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.358 -4.549 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.038 -5.360 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.813 -6.164 -4.505 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.242 -4.189 -3.307 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.251 -3.557 -2.443 1.00 0.00 C ATOM 1632 C VAL A 104 -11.823 -2.290 -1.819 1.00 0.00 C ATOM 1633 O VAL A 104 -12.230 -1.369 -2.525 1.00 0.00 O ATOM 1634 CB VAL A 104 -9.960 -3.213 -3.212 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -8.916 -2.628 -2.273 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.416 -4.446 -3.920 1.00 0.00 C ATOM 0 H VAL A 104 -12.064 -4.078 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.001 -4.272 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.199 -2.462 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.012 -2.392 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.307 -1.719 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.680 -3.353 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.505 -4.184 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.194 -5.220 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.159 -4.818 -4.625 1.00 0.00 H new ATOM 1646 N GLN A 105 -11.857 -2.256 -0.494 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.471 -1.157 0.237 1.00 0.00 C ATOM 1648 C GLN A 105 -11.433 -0.433 1.083 1.00 0.00 C ATOM 1649 O GLN A 105 -10.604 -1.074 1.735 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.572 -1.705 1.143 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.517 -2.654 0.432 1.00 0.00 C ATOM 1652 CD GLN A 105 -15.655 -1.957 -0.282 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.122 -2.414 -1.323 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -16.144 -0.876 0.300 1.00 0.00 N ATOM 0 H GLN A 105 -11.462 -2.985 0.101 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.894 -0.452 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.115 -2.223 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.144 -0.872 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -13.952 -3.242 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.930 -3.354 1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -15.727 -0.529 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -16.938 -0.389 -0.115 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.482 0.892 1.071 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.571 1.701 1.871 1.00 0.00 C ATOM 1665 C LEU A 106 -11.349 2.614 2.810 1.00 0.00 C ATOM 1666 O LEU A 106 -12.254 3.328 2.378 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.678 2.567 0.977 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.825 1.820 -0.047 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.957 2.802 -0.817 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.962 0.772 0.634 1.00 0.00 C ATOM 0 H LEU A 106 -12.145 1.431 0.514 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.951 1.017 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.311 3.276 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.015 3.150 1.616 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.489 1.312 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.352 2.260 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.592 3.520 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.303 3.331 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.363 0.252 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.303 1.256 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.600 0.055 1.150 1.00 0.00 H new ATOM 1682 N ARG A 107 -11.007 2.586 4.089 1.00 0.00 N ATOM 1683 CA ARG A 107 -11.587 3.519 5.039 1.00 0.00 C ATOM 1684 C ARG A 107 -10.543 4.525 5.501 1.00 0.00 C ATOM 1685 O ARG A 107 -9.503 4.163 6.060 1.00 0.00 O ATOM 1686 CB ARG A 107 -12.195 2.813 6.255 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.947 3.775 7.166 1.00 0.00 C ATOM 1688 CD ARG A 107 -13.665 3.063 8.300 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.774 2.703 9.399 1.00 0.00 N ATOM 1690 CZ ARG A 107 -13.143 2.700 10.680 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -14.358 3.113 11.023 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -12.292 2.305 11.617 1.00 0.00 N ATOM 0 H ARG A 107 -10.335 1.932 4.490 1.00 0.00 H new ATOM 0 HA ARG A 107 -12.393 4.037 4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.874 2.031 5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -11.403 2.324 6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.246 4.499 7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.672 4.336 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.461 3.704 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -14.140 2.161 7.913 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.815 2.439 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -15.009 3.433 10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.640 3.110 12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.353 2.003 11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -12.577 2.304 12.597 1.00 0.00 H new ATOM 1706 N GLY A 108 -10.832 5.788 5.241 1.00 0.00 N ATOM 1707 CA GLY A 108 -9.998 6.867 5.711 1.00 0.00 C ATOM 1708 C GLY A 108 -10.836 8.070 6.077 1.00 0.00 C ATOM 1709 O GLY A 108 -11.923 7.923 6.641 1.00 0.00 O ATOM 0 H GLY A 108 -11.645 6.087 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -9.425 6.539 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -9.279 7.140 4.939 1.00 0.00 H new ATOM 1713 N GLY A 109 -10.352 9.253 5.738 1.00 0.00 N ATOM 1714 CA GLY A 109 -11.107 10.456 6.005 1.00 0.00 C ATOM 1715 C GLY A 109 -10.529 11.250 7.153 1.00 0.00 C ATOM 1716 O GLY A 109 -10.925 11.067 8.306 1.00 0.00 O ATOM 0 H GLY A 109 -9.451 9.401 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.126 11.077 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.140 10.192 6.232 1.00 0.00 H new ATOM 1720 N SER A 110 -9.580 12.116 6.837 1.00 0.00 N ATOM 1721 CA SER A 110 -8.968 12.978 7.830 1.00 0.00 C ATOM 1722 C SER A 110 -9.575 14.377 7.751 1.00 0.00 C ATOM 1723 O SER A 110 -8.994 15.244 7.065 1.00 0.00 O ATOM 1724 CB SER A 110 -7.456 13.023 7.601 1.00 0.00 C ATOM 1725 OG SER A 110 -7.161 13.353 6.251 1.00 0.00 O ATOM 1726 OXT SER A 110 -10.660 14.590 8.333 1.00 0.00 O ATOM 0 H SER A 110 -9.216 12.240 5.892 1.00 0.00 H new ATOM 0 HA SER A 110 -9.158 12.582 8.828 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.004 13.758 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.017 12.056 7.848 1.00 0.00 H new ATOM 0 HG SER A 110 -7.679 14.142 5.986 1.00 0.00 H new TER 1732 SER A 110