USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -1.54 K(o=-1.2,f=-2.2!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.308 USER MOD Set 2.1: A 73 SER OG : rot 115:sc= 0.128 USER MOD Set 2.2: A 82 HIS : no HE2:sc= -1.25! C(o=-1.1!,f=-8.8!) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.39) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 108:sc= -0.971 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 33 TYR OH : rot -139:sc= -0.508 USER MOD Single : A 34 SER OG : rot -30:sc= 1.14 USER MOD Single : A 36 ASN : amide:sc= -2.31! K(o=-2.3!,f=-0.83) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -9.5! C(o=-9.5!,f=-10!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -1:sc= -3.49! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.787 K(o=-0.79,f=-1.8!) USER MOD Single : A 68 SER OG : rot 1:sc= 0.632! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.64! C(o=-2.6!,f=-1.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 80:sc= 0.757 USER MOD Single : A 97 TYR OH : rot -106:sc= -2.35 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -3.46! C(o=-3.5!,f=-15!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.549 K(o=-0.55,f=-0.03) USER MOD Single : A 109 SER OG : rot -152:sc= -6.53! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0062 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 30.510 -2.553 3.178 1.00 0.00 N ATOM 26 CA ARG A 8 29.066 -2.352 3.196 1.00 0.00 C ATOM 27 C ARG A 8 28.707 -0.898 2.910 1.00 0.00 C ATOM 28 O ARG A 8 29.520 0.007 3.104 1.00 0.00 O ATOM 29 CB ARG A 8 28.492 -2.767 4.552 1.00 0.00 C ATOM 30 CG ARG A 8 28.736 -4.226 4.899 1.00 0.00 C ATOM 31 CD ARG A 8 27.845 -4.682 6.042 1.00 0.00 C ATOM 32 NE ARG A 8 27.730 -3.666 7.085 1.00 0.00 N ATOM 33 CZ ARG A 8 28.634 -3.488 8.044 1.00 0.00 C ATOM 34 NH1 ARG A 8 29.714 -4.256 8.093 1.00 0.00 N ATOM 35 NH2 ARG A 8 28.457 -2.541 8.955 1.00 0.00 N ATOM 0 HA ARG A 8 28.633 -2.974 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.930 -2.140 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.419 -2.577 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.550 -4.846 4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.782 -4.366 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.854 -4.919 5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 8 28.248 -5.599 6.472 1.00 0.00 H new ATOM 0 HE ARG A 8 26.910 -3.059 7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 8 29.853 -4.986 7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 8 30.406 -4.117 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 8 27.627 -1.949 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 8 29.151 -2.405 9.690 1.00 0.00 H new ATOM 49 N CYS A 9 27.479 -0.684 2.453 1.00 0.00 N ATOM 50 CA CYS A 9 26.984 0.654 2.164 1.00 0.00 C ATOM 51 C CYS A 9 26.703 1.396 3.471 1.00 0.00 C ATOM 52 O CYS A 9 26.871 0.832 4.552 1.00 0.00 O ATOM 53 CB CYS A 9 25.717 0.548 1.310 1.00 0.00 C ATOM 54 SG CYS A 9 25.912 -0.498 -0.167 1.00 0.00 S ATOM 0 H CYS A 9 26.804 -1.427 2.274 1.00 0.00 H new ATOM 0 HA CYS A 9 27.735 1.217 1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.909 0.148 1.923 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.415 1.548 0.998 1.00 0.00 H new ATOM 59 N PRO A 10 26.318 2.682 3.404 1.00 0.00 N ATOM 60 CA PRO A 10 26.004 3.470 4.580 1.00 0.00 C ATOM 61 C PRO A 10 24.546 3.308 4.984 1.00 0.00 C ATOM 62 O PRO A 10 23.817 2.517 4.387 1.00 0.00 O ATOM 63 CB PRO A 10 26.279 4.906 4.124 1.00 0.00 C ATOM 64 CG PRO A 10 26.314 4.871 2.623 1.00 0.00 C ATOM 65 CD PRO A 10 26.064 3.452 2.191 1.00 0.00 C ATOM 0 HA PRO A 10 26.586 3.172 5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.502 5.583 4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.225 5.268 4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.557 5.536 2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.280 5.218 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.044 3.314 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.729 3.155 1.380 1.00 0.00 H new ATOM 73 N SER A 11 24.117 4.064 5.984 1.00 0.00 N ATOM 74 CA SER A 11 22.736 3.996 6.435 1.00 0.00 C ATOM 75 C SER A 11 21.784 4.322 5.286 1.00 0.00 C ATOM 76 O SER A 11 21.685 5.475 4.868 1.00 0.00 O ATOM 77 CB SER A 11 22.505 4.964 7.597 1.00 0.00 C ATOM 78 OG SER A 11 21.135 5.309 7.711 1.00 0.00 O ATOM 0 H SER A 11 24.700 4.727 6.495 1.00 0.00 H new ATOM 0 HA SER A 11 22.537 2.981 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.847 4.509 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.099 5.866 7.446 1.00 0.00 H new ATOM 0 HG SER A 11 21.015 5.927 8.462 1.00 0.00 H new ATOM 84 N PRO A 12 21.088 3.310 4.735 1.00 0.00 N ATOM 85 CA PRO A 12 20.167 3.518 3.622 1.00 0.00 C ATOM 86 C PRO A 12 19.198 4.662 3.894 1.00 0.00 C ATOM 87 O PRO A 12 18.831 4.918 5.040 1.00 0.00 O ATOM 88 CB PRO A 12 19.406 2.193 3.497 1.00 0.00 C ATOM 89 CG PRO A 12 19.849 1.333 4.633 1.00 0.00 C ATOM 90 CD PRO A 12 21.135 1.902 5.152 1.00 0.00 C ATOM 0 HA PRO A 12 20.699 3.790 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.330 2.360 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.620 1.713 2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.093 1.315 5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.990 0.304 4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.206 1.808 6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.999 1.388 4.730 1.00 0.00 H new ATOM 98 N ARG A 13 18.801 5.358 2.835 1.00 0.00 N ATOM 99 CA ARG A 13 17.860 6.460 2.963 1.00 0.00 C ATOM 100 C ARG A 13 16.571 5.974 3.590 1.00 0.00 C ATOM 101 O ARG A 13 16.279 4.781 3.586 1.00 0.00 O ATOM 102 CB ARG A 13 17.580 7.088 1.595 1.00 0.00 C ATOM 103 CG ARG A 13 17.395 8.595 1.643 1.00 0.00 C ATOM 104 CD ARG A 13 18.193 9.290 0.551 1.00 0.00 C ATOM 105 NE ARG A 13 19.141 10.257 1.097 1.00 0.00 N ATOM 106 CZ ARG A 13 18.801 11.481 1.486 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.541 11.884 1.390 1.00 0.00 N ATOM 108 NH2 ARG A 13 19.720 12.305 1.972 1.00 0.00 N ATOM 0 H ARG A 13 19.116 5.178 1.882 1.00 0.00 H new ATOM 0 HA ARG A 13 18.301 7.220 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.404 6.853 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.684 6.634 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.338 8.836 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.707 8.970 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.732 8.545 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.510 9.797 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 13 20.118 9.977 1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.831 11.254 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.282 12.824 1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.690 11.999 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.456 13.244 2.270 1.00 0.00 H new ATOM 122 N ASP A 14 15.809 6.899 4.144 1.00 0.00 N ATOM 123 CA ASP A 14 14.600 6.554 4.840 1.00 0.00 C ATOM 124 C ASP A 14 13.355 6.962 4.060 1.00 0.00 C ATOM 125 O ASP A 14 13.443 7.503 2.958 1.00 0.00 O ATOM 126 CB ASP A 14 14.627 7.231 6.203 1.00 0.00 C ATOM 127 CG ASP A 14 14.357 8.723 6.132 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.320 9.492 5.927 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.183 9.122 6.284 1.00 0.00 O ATOM 0 H ASP A 14 16.014 7.898 4.121 1.00 0.00 H new ATOM 0 HA ASP A 14 14.552 5.471 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.884 6.764 6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.600 7.065 6.665 1.00 0.00 H new ATOM 134 N ILE A 15 12.198 6.695 4.650 1.00 0.00 N ATOM 135 CA ILE A 15 10.922 7.034 4.032 1.00 0.00 C ATOM 136 C ILE A 15 9.951 7.589 5.069 1.00 0.00 C ATOM 137 O ILE A 15 9.950 7.162 6.223 1.00 0.00 O ATOM 138 CB ILE A 15 10.289 5.811 3.342 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.023 6.221 2.588 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.978 4.729 4.363 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.665 5.285 1.454 1.00 0.00 C ATOM 0 H ILE A 15 12.116 6.242 5.560 1.00 0.00 H new ATOM 0 HA ILE A 15 11.120 7.796 3.278 1.00 0.00 H new ATOM 0 HB ILE A 15 11.002 5.409 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.190 6.264 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.157 7.227 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.531 3.872 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.899 4.420 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.281 5.118 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.757 5.637 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.481 5.260 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.499 4.282 1.848 1.00 0.00 H new ATOM 153 N ASP A 16 9.136 8.555 4.657 1.00 0.00 N ATOM 154 CA ASP A 16 8.185 9.189 5.564 1.00 0.00 C ATOM 155 C ASP A 16 6.961 8.312 5.794 1.00 0.00 C ATOM 156 O ASP A 16 6.754 7.798 6.892 1.00 0.00 O ATOM 157 CB ASP A 16 7.749 10.553 5.019 1.00 0.00 C ATOM 158 CG ASP A 16 8.875 11.291 4.322 1.00 0.00 C ATOM 159 OD1 ASP A 16 10.051 11.014 4.638 1.00 0.00 O ATOM 160 OD2 ASP A 16 8.581 12.145 3.460 1.00 0.00 O ATOM 0 H ASP A 16 9.115 8.915 3.703 1.00 0.00 H new ATOM 0 HA ASP A 16 8.690 9.328 6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.924 10.414 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.372 11.164 5.839 1.00 0.00 H new ATOM 165 N ASN A 17 6.145 8.154 4.759 1.00 0.00 N ATOM 166 CA ASN A 17 4.934 7.353 4.866 1.00 0.00 C ATOM 167 C ASN A 17 5.203 5.895 4.508 1.00 0.00 C ATOM 168 O ASN A 17 4.417 5.267 3.799 1.00 0.00 O ATOM 169 CB ASN A 17 3.843 7.924 3.962 1.00 0.00 C ATOM 170 CG ASN A 17 3.295 9.217 4.490 1.00 0.00 C ATOM 171 OD1 ASN A 17 2.483 9.234 5.414 1.00 0.00 O ATOM 172 ND2 ASN A 17 3.733 10.311 3.908 1.00 0.00 N ATOM 0 H ASN A 17 6.300 8.568 3.840 1.00 0.00 H new ATOM 0 HA ASN A 17 4.596 7.390 5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.247 8.083 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.034 7.199 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.399 11.223 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.407 10.248 3.145 1.00 0.00 H new ATOM 179 N GLY A 18 6.315 5.359 5.006 1.00 0.00 N ATOM 180 CA GLY A 18 6.655 3.977 4.720 1.00 0.00 C ATOM 181 C GLY A 18 7.652 3.394 5.703 1.00 0.00 C ATOM 182 O GLY A 18 8.017 4.038 6.686 1.00 0.00 O ATOM 0 H GLY A 18 6.982 5.854 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.746 3.375 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.066 3.911 3.713 1.00 0.00 H new ATOM 186 N GLN A 19 8.087 2.166 5.435 1.00 0.00 N ATOM 187 CA GLN A 19 9.042 1.482 6.303 1.00 0.00 C ATOM 188 C GLN A 19 10.012 0.642 5.478 1.00 0.00 C ATOM 189 O GLN A 19 9.596 -0.160 4.642 1.00 0.00 O ATOM 190 CB GLN A 19 8.311 0.587 7.314 1.00 0.00 C ATOM 191 CG GLN A 19 6.900 1.050 7.645 1.00 0.00 C ATOM 192 CD GLN A 19 6.430 0.570 9.005 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.585 1.264 10.009 1.00 0.00 O ATOM 194 NE2 GLN A 19 5.847 -0.623 9.042 1.00 0.00 N ATOM 0 H GLN A 19 7.793 1.623 4.623 1.00 0.00 H new ATOM 0 HA GLN A 19 9.605 2.241 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.266 -0.428 6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.894 0.545 8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.863 2.139 7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.214 0.687 6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.739 -1.165 8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.507 -0.997 9.928 1.00 0.00 H new ATOM 203 N LEU A 20 11.307 0.827 5.721 1.00 0.00 N ATOM 204 CA LEU A 20 12.332 0.093 4.994 1.00 0.00 C ATOM 205 C LEU A 20 12.397 -1.363 5.438 1.00 0.00 C ATOM 206 O LEU A 20 11.993 -1.707 6.548 1.00 0.00 O ATOM 207 CB LEU A 20 13.691 0.748 5.210 1.00 0.00 C ATOM 208 CG LEU A 20 14.034 1.861 4.226 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.342 2.513 4.621 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.918 2.892 4.170 1.00 0.00 C ATOM 0 H LEU A 20 11.669 1.480 6.416 1.00 0.00 H new ATOM 0 HA LEU A 20 12.071 0.117 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.725 1.154 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.462 -0.020 5.149 1.00 0.00 H new ATOM 0 HG LEU A 20 14.143 1.428 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.581 3.307 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.251 2.934 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.137 1.768 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.183 3.677 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.994 2.411 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.776 3.328 5.159 1.00 0.00 H new ATOM 222 N ASP A 21 12.939 -2.206 4.569 1.00 0.00 N ATOM 223 CA ASP A 21 13.115 -3.619 4.873 1.00 0.00 C ATOM 224 C ASP A 21 14.540 -4.041 4.539 1.00 0.00 C ATOM 225 O ASP A 21 14.788 -4.682 3.517 1.00 0.00 O ATOM 226 CB ASP A 21 12.111 -4.469 4.091 1.00 0.00 C ATOM 227 CG ASP A 21 11.368 -5.449 4.978 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.082 -5.097 6.142 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.073 -6.568 4.509 1.00 0.00 O ATOM 0 H ASP A 21 13.266 -1.933 3.642 1.00 0.00 H new ATOM 0 HA ASP A 21 12.935 -3.775 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.393 -3.815 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.635 -5.017 3.308 1.00 0.00 H new ATOM 234 N ILE A 22 15.478 -3.647 5.397 1.00 0.00 N ATOM 235 CA ILE A 22 16.891 -3.935 5.178 1.00 0.00 C ATOM 236 C ILE A 22 17.192 -5.421 5.330 1.00 0.00 C ATOM 237 O ILE A 22 17.239 -5.950 6.441 1.00 0.00 O ATOM 238 CB ILE A 22 17.786 -3.129 6.146 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.577 -1.627 5.938 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.254 -3.486 5.950 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.399 -0.770 6.874 1.00 0.00 C ATOM 0 H ILE A 22 15.283 -3.126 6.252 1.00 0.00 H new ATOM 0 HA ILE A 22 17.115 -3.636 4.154 1.00 0.00 H new ATOM 0 HB ILE A 22 17.502 -3.387 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.829 -1.372 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.521 -1.392 6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.865 -2.906 6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.399 -4.549 6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.550 -3.258 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.202 0.283 6.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.131 -0.997 7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.458 -0.977 6.721 1.00 0.00 H new ATOM 253 N GLY A 23 17.424 -6.077 4.200 1.00 0.00 N ATOM 254 CA GLY A 23 17.774 -7.483 4.212 1.00 0.00 C ATOM 255 C GLY A 23 19.174 -7.716 3.677 1.00 0.00 C ATOM 256 O GLY A 23 19.506 -8.818 3.242 1.00 0.00 O ATOM 0 H GLY A 23 17.375 -5.657 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.705 -7.867 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.057 -8.042 3.611 1.00 0.00 H new ATOM 260 N GLY A 24 19.993 -6.665 3.701 1.00 0.00 N ATOM 261 CA GLY A 24 21.353 -6.767 3.205 1.00 0.00 C ATOM 262 C GLY A 24 21.928 -5.414 2.831 1.00 0.00 C ATOM 263 O GLY A 24 21.386 -4.718 1.972 1.00 0.00 O ATOM 0 H GLY A 24 19.736 -5.744 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 21.982 -7.230 3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.372 -7.422 2.334 1.00 0.00 H new ATOM 267 N VAL A 25 23.020 -5.033 3.486 1.00 0.00 N ATOM 268 CA VAL A 25 23.662 -3.750 3.223 1.00 0.00 C ATOM 269 C VAL A 25 25.081 -3.938 2.701 1.00 0.00 C ATOM 270 O VAL A 25 25.947 -3.087 2.909 1.00 0.00 O ATOM 271 CB VAL A 25 23.710 -2.873 4.488 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.307 -2.600 5.004 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.564 -3.531 5.561 1.00 0.00 C ATOM 0 H VAL A 25 23.479 -5.595 4.203 1.00 0.00 H new ATOM 0 HA VAL A 25 23.060 -3.251 2.464 1.00 0.00 H new ATOM 0 HB VAL A 25 24.166 -1.918 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.363 -1.979 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.732 -2.081 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.819 -3.544 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.587 -2.897 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.140 -4.501 5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.578 -3.667 5.186 1.00 0.00 H new ATOM 283 N ASP A 26 25.314 -5.054 2.023 1.00 0.00 N ATOM 284 CA ASP A 26 26.630 -5.348 1.470 1.00 0.00 C ATOM 285 C ASP A 26 26.644 -5.136 -0.039 1.00 0.00 C ATOM 286 O ASP A 26 25.635 -5.337 -0.714 1.00 0.00 O ATOM 287 CB ASP A 26 27.041 -6.784 1.800 1.00 0.00 C ATOM 288 CG ASP A 26 25.876 -7.753 1.732 1.00 0.00 C ATOM 289 OD1 ASP A 26 25.136 -7.722 0.725 1.00 0.00 O ATOM 290 OD2 ASP A 26 25.702 -8.542 2.685 1.00 0.00 O ATOM 0 H ASP A 26 24.610 -5.770 1.843 1.00 0.00 H new ATOM 0 HA ASP A 26 27.346 -4.663 1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.817 -7.105 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.476 -6.813 2.799 1.00 0.00 H new ATOM 295 N PHE A 27 27.794 -4.721 -0.560 1.00 0.00 N ATOM 296 CA PHE A 27 27.945 -4.472 -1.990 1.00 0.00 C ATOM 297 C PHE A 27 27.376 -5.625 -2.811 1.00 0.00 C ATOM 298 O PHE A 27 28.038 -6.641 -3.020 1.00 0.00 O ATOM 299 CB PHE A 27 29.423 -4.263 -2.330 1.00 0.00 C ATOM 300 CG PHE A 27 29.691 -4.061 -3.795 1.00 0.00 C ATOM 301 CD1 PHE A 27 30.852 -4.554 -4.369 1.00 0.00 C ATOM 302 CD2 PHE A 27 28.793 -3.371 -4.594 1.00 0.00 C ATOM 303 CE1 PHE A 27 31.110 -4.369 -5.714 1.00 0.00 C ATOM 304 CE2 PHE A 27 29.046 -3.183 -5.940 1.00 0.00 C ATOM 305 CZ PHE A 27 30.206 -3.683 -6.500 1.00 0.00 C ATOM 0 H PHE A 27 28.637 -4.550 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 27 27.387 -3.570 -2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.793 -3.397 -1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.991 -5.126 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 27 31.564 -5.089 -3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 27 27.886 -2.976 -4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 27 32.017 -4.761 -6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 27 28.338 -2.646 -6.553 1.00 0.00 H new ATOM 0 HZ PHE A 27 30.405 -3.537 -7.551 1.00 0.00 H new ATOM 315 N GLY A 28 26.135 -5.462 -3.259 1.00 0.00 N ATOM 316 CA GLY A 28 25.490 -6.493 -4.050 1.00 0.00 C ATOM 317 C GLY A 28 24.190 -6.983 -3.433 1.00 0.00 C ATOM 318 O GLY A 28 23.686 -8.044 -3.801 1.00 0.00 O ATOM 0 H GLY A 28 25.565 -4.634 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.289 -6.106 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.172 -7.335 -4.166 1.00 0.00 H new ATOM 322 N SER A 29 23.646 -6.213 -2.494 1.00 0.00 N ATOM 323 CA SER A 29 22.396 -6.578 -1.838 1.00 0.00 C ATOM 324 C SER A 29 21.259 -5.674 -2.301 1.00 0.00 C ATOM 325 O SER A 29 21.355 -5.028 -3.344 1.00 0.00 O ATOM 326 CB SER A 29 22.548 -6.488 -0.318 1.00 0.00 C ATOM 327 OG SER A 29 22.193 -7.710 0.304 1.00 0.00 O ATOM 0 H SER A 29 24.051 -5.334 -2.172 1.00 0.00 H new ATOM 0 HA SER A 29 22.156 -7.606 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.578 -6.235 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.919 -5.685 0.066 1.00 0.00 H new ATOM 0 HG SER A 29 23.000 -8.152 0.640 1.00 0.00 H new ATOM 333 N SER A 30 20.183 -5.630 -1.522 1.00 0.00 N ATOM 334 CA SER A 30 19.040 -4.791 -1.858 1.00 0.00 C ATOM 335 C SER A 30 18.075 -4.674 -0.685 1.00 0.00 C ATOM 336 O SER A 30 17.941 -5.596 0.120 1.00 0.00 O ATOM 337 CB SER A 30 18.309 -5.347 -3.084 1.00 0.00 C ATOM 338 OG SER A 30 18.386 -6.761 -3.127 1.00 0.00 O ATOM 0 H SER A 30 20.079 -6.163 -0.658 1.00 0.00 H new ATOM 0 HA SER A 30 19.417 -3.795 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.264 -5.037 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.744 -4.928 -3.991 1.00 0.00 H new ATOM 0 HG SER A 30 17.910 -7.091 -3.918 1.00 0.00 H new ATOM 344 N ILE A 31 17.406 -3.530 -0.597 1.00 0.00 N ATOM 345 CA ILE A 31 16.448 -3.277 0.475 1.00 0.00 C ATOM 346 C ILE A 31 15.022 -3.332 -0.057 1.00 0.00 C ATOM 347 O ILE A 31 14.806 -3.423 -1.265 1.00 0.00 O ATOM 348 CB ILE A 31 16.669 -1.901 1.144 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.110 -1.421 0.977 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.325 -1.971 2.618 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.325 0.000 1.451 1.00 0.00 C ATOM 0 H ILE A 31 17.509 -2.760 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 31 16.605 -4.057 1.220 1.00 0.00 H new ATOM 0 HB ILE A 31 16.011 -1.187 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.774 -2.086 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.390 -1.493 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.485 -0.995 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.280 -2.259 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.962 -2.709 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.369 0.278 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.686 0.674 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.075 0.072 2.510 1.00 0.00 H new ATOM 363 N THR A 32 14.049 -3.254 0.845 1.00 0.00 N ATOM 364 CA THR A 32 12.649 -3.283 0.447 1.00 0.00 C ATOM 365 C THR A 32 11.864 -2.152 1.096 1.00 0.00 C ATOM 366 O THR A 32 11.726 -2.096 2.318 1.00 0.00 O ATOM 367 CB THR A 32 12.017 -4.632 0.797 1.00 0.00 C ATOM 368 OG1 THR A 32 13.015 -5.618 1.000 1.00 0.00 O ATOM 369 CG2 THR A 32 11.080 -5.140 -0.274 1.00 0.00 C ATOM 0 H THR A 32 14.204 -3.171 1.850 1.00 0.00 H new ATOM 0 HA THR A 32 12.611 -3.145 -0.634 1.00 0.00 H new ATOM 0 HB THR A 32 11.446 -4.459 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.590 -6.472 1.224 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.664 -6.100 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.272 -4.424 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.628 -5.264 -1.208 1.00 0.00 H new ATOM 377 N TYR A 33 11.348 -1.253 0.265 1.00 0.00 N ATOM 378 CA TYR A 33 10.569 -0.121 0.753 1.00 0.00 C ATOM 379 C TYR A 33 9.083 -0.454 0.782 1.00 0.00 C ATOM 380 O TYR A 33 8.560 -1.088 -0.134 1.00 0.00 O ATOM 381 CB TYR A 33 10.812 1.108 -0.122 1.00 0.00 C ATOM 382 CG TYR A 33 12.016 1.913 0.300 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.300 1.486 -0.011 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.871 3.093 1.016 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.406 2.218 0.374 1.00 0.00 C ATOM 386 CE2 TYR A 33 12.972 3.830 1.407 1.00 0.00 C ATOM 387 CZ TYR A 33 14.237 3.388 1.082 1.00 0.00 C ATOM 388 OH TYR A 33 15.337 4.119 1.464 1.00 0.00 O ATOM 0 H TYR A 33 11.455 -1.286 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 33 10.893 0.097 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.941 0.789 -1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.929 1.746 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.436 0.567 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.881 3.441 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.398 1.875 0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.843 4.746 1.964 1.00 0.00 H new ATOM 0 HH TYR A 33 15.209 4.450 2.378 1.00 0.00 H new ATOM 398 N SER A 34 8.408 -0.026 1.844 1.00 0.00 N ATOM 399 CA SER A 34 6.982 -0.283 1.997 1.00 0.00 C ATOM 400 C SER A 34 6.283 0.897 2.663 1.00 0.00 C ATOM 401 O SER A 34 6.933 1.783 3.216 1.00 0.00 O ATOM 402 CB SER A 34 6.759 -1.554 2.821 1.00 0.00 C ATOM 403 OG SER A 34 7.306 -1.422 4.121 1.00 0.00 O ATOM 0 H SER A 34 8.826 0.500 2.611 1.00 0.00 H new ATOM 0 HA SER A 34 6.554 -0.420 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.691 -1.762 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.217 -2.404 2.315 1.00 0.00 H new ATOM 0 HG SER A 34 8.078 -0.819 4.092 1.00 0.00 H new ATOM 409 N CYS A 35 4.955 0.902 2.604 1.00 0.00 N ATOM 410 CA CYS A 35 4.170 1.972 3.203 1.00 0.00 C ATOM 411 C CYS A 35 3.817 1.638 4.651 1.00 0.00 C ATOM 412 O CYS A 35 3.959 0.494 5.084 1.00 0.00 O ATOM 413 CB CYS A 35 2.897 2.207 2.390 1.00 0.00 C ATOM 414 SG CYS A 35 3.106 3.375 1.008 1.00 0.00 S ATOM 0 H CYS A 35 4.402 0.177 2.147 1.00 0.00 H new ATOM 0 HA CYS A 35 4.768 2.883 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.548 1.252 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.118 2.581 3.054 1.00 0.00 H new ATOM 419 N ASN A 36 3.363 2.640 5.397 1.00 0.00 N ATOM 420 CA ASN A 36 3.001 2.444 6.798 1.00 0.00 C ATOM 421 C ASN A 36 1.818 1.490 6.929 1.00 0.00 C ATOM 422 O ASN A 36 1.994 0.295 7.166 1.00 0.00 O ATOM 423 CB ASN A 36 2.665 3.785 7.454 1.00 0.00 C ATOM 424 CG ASN A 36 3.901 4.530 7.918 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.646 4.049 8.772 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.124 5.713 7.358 1.00 0.00 N ATOM 0 H ASN A 36 3.237 3.593 5.057 1.00 0.00 H new ATOM 0 HA ASN A 36 3.857 2.003 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.116 4.405 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.006 3.614 8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.939 6.261 7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.480 6.073 6.654 1.00 0.00 H new ATOM 433 N SER A 37 0.611 2.028 6.781 1.00 0.00 N ATOM 434 CA SER A 37 -0.603 1.228 6.880 1.00 0.00 C ATOM 435 C SER A 37 -1.734 1.868 6.084 1.00 0.00 C ATOM 436 O SER A 37 -1.925 3.083 6.128 1.00 0.00 O ATOM 437 CB SER A 37 -1.018 1.069 8.344 1.00 0.00 C ATOM 438 OG SER A 37 -1.334 -0.280 8.642 1.00 0.00 O ATOM 0 H SER A 37 0.449 3.017 6.592 1.00 0.00 H new ATOM 0 HA SER A 37 -0.398 0.242 6.462 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.211 1.408 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.881 1.702 8.551 1.00 0.00 H new ATOM 0 HG SER A 37 -1.594 -0.355 9.584 1.00 0.00 H new ATOM 444 N GLY A 38 -2.476 1.046 5.351 1.00 0.00 N ATOM 445 CA GLY A 38 -3.562 1.560 4.539 1.00 0.00 C ATOM 446 C GLY A 38 -3.070 2.540 3.494 1.00 0.00 C ATOM 447 O GLY A 38 -3.804 3.431 3.067 1.00 0.00 O ATOM 0 H GLY A 38 -2.345 0.035 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.072 0.731 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.294 2.050 5.180 1.00 0.00 H new ATOM 451 N TYR A 39 -1.815 2.377 3.093 1.00 0.00 N ATOM 452 CA TYR A 39 -1.201 3.253 2.104 1.00 0.00 C ATOM 453 C TYR A 39 -0.768 2.462 0.874 1.00 0.00 C ATOM 454 O TYR A 39 -0.787 1.231 0.879 1.00 0.00 O ATOM 455 CB TYR A 39 0.017 3.951 2.713 1.00 0.00 C ATOM 456 CG TYR A 39 -0.274 5.315 3.298 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.624 6.362 3.136 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.435 5.552 4.023 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.370 7.610 3.670 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.698 6.799 4.559 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.792 7.824 4.381 1.00 0.00 C ATOM 462 OH TYR A 39 -1.049 9.065 4.916 1.00 0.00 O ATOM 0 H TYR A 39 -1.200 1.641 3.440 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.938 3.996 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.432 3.315 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.783 4.054 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.537 6.197 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.143 4.750 4.170 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.078 8.414 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.608 6.970 5.114 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.909 9.047 5.385 1.00 0.00 H new ATOM 472 N HIS A 40 -0.356 3.174 -0.170 1.00 0.00 N ATOM 473 CA HIS A 40 0.126 2.533 -1.386 1.00 0.00 C ATOM 474 C HIS A 40 1.439 3.162 -1.837 1.00 0.00 C ATOM 475 O HIS A 40 1.513 4.366 -2.082 1.00 0.00 O ATOM 476 CB HIS A 40 -0.918 2.614 -2.503 1.00 0.00 C ATOM 477 CG HIS A 40 -1.056 3.972 -3.120 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.126 4.172 -4.483 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.151 5.199 -2.556 1.00 0.00 C ATOM 480 CE1 HIS A 40 -1.253 5.463 -4.731 1.00 0.00 C ATOM 481 NE2 HIS A 40 -1.269 6.107 -3.580 1.00 0.00 N ATOM 0 H HIS A 40 -0.347 4.194 -0.197 1.00 0.00 H new ATOM 0 HA HIS A 40 0.302 1.480 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.655 1.899 -3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.885 2.309 -2.103 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.086 3.437 -5.189 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.137 5.422 -1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.331 5.914 -5.709 1.00 0.00 H new ATOM 490 N LEU A 41 2.478 2.340 -1.912 1.00 0.00 N ATOM 491 CA LEU A 41 3.797 2.803 -2.313 1.00 0.00 C ATOM 492 C LEU A 41 3.914 2.851 -3.830 1.00 0.00 C ATOM 493 O LEU A 41 3.687 1.852 -4.512 1.00 0.00 O ATOM 494 CB LEU A 41 4.873 1.881 -1.734 1.00 0.00 C ATOM 495 CG LEU A 41 6.304 2.199 -2.167 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.299 1.630 -1.168 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.572 1.652 -3.560 1.00 0.00 C ATOM 0 H LEU A 41 2.430 1.344 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 41 3.941 3.811 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.821 1.927 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.643 0.855 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 41 6.425 3.282 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.313 1.865 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.120 2.068 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.178 0.548 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.595 1.887 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.434 0.571 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.879 2.105 -4.268 1.00 0.00 H new ATOM 509 N ILE A 42 4.261 4.019 -4.354 1.00 0.00 N ATOM 510 CA ILE A 42 4.397 4.190 -5.794 1.00 0.00 C ATOM 511 C ILE A 42 5.862 4.221 -6.203 1.00 0.00 C ATOM 512 O ILE A 42 6.753 4.327 -5.360 1.00 0.00 O ATOM 513 CB ILE A 42 3.704 5.471 -6.302 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.500 5.825 -5.425 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.266 5.283 -7.744 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.530 4.677 -5.251 1.00 0.00 C ATOM 0 H ILE A 42 4.453 4.858 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 42 3.905 3.331 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 42 4.416 6.294 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.854 6.144 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.975 6.672 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.777 6.191 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.137 5.075 -8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.568 4.448 -7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.700 4.994 -4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.148 4.372 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.042 3.836 -4.783 1.00 0.00 H new ATOM 528 N GLY A 43 6.103 4.120 -7.502 1.00 0.00 N ATOM 529 CA GLY A 43 7.464 4.120 -8.003 1.00 0.00 C ATOM 530 C GLY A 43 8.177 2.813 -7.717 1.00 0.00 C ATOM 531 O GLY A 43 7.613 1.737 -7.917 1.00 0.00 O ATOM 0 H GLY A 43 5.382 4.038 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.454 4.299 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.017 4.941 -7.548 1.00 0.00 H new ATOM 535 N GLU A 44 9.414 2.902 -7.236 1.00 0.00 N ATOM 536 CA GLU A 44 10.186 1.713 -6.904 1.00 0.00 C ATOM 537 C GLU A 44 9.784 1.175 -5.539 1.00 0.00 C ATOM 538 O GLU A 44 8.884 1.706 -4.892 1.00 0.00 O ATOM 539 CB GLU A 44 11.681 2.025 -6.906 1.00 0.00 C ATOM 540 CG GLU A 44 12.039 3.261 -6.100 1.00 0.00 C ATOM 541 CD GLU A 44 12.750 4.313 -6.928 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.624 4.277 -8.170 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.433 5.174 -6.334 1.00 0.00 O ATOM 0 H GLU A 44 9.900 3.783 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 44 9.977 0.957 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.224 1.169 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.015 2.161 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.130 3.690 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.675 2.972 -5.263 1.00 0.00 H new ATOM 550 N SER A 45 10.484 0.144 -5.093 1.00 0.00 N ATOM 551 CA SER A 45 10.199 -0.477 -3.818 1.00 0.00 C ATOM 552 C SER A 45 11.389 -1.282 -3.313 1.00 0.00 C ATOM 553 O SER A 45 11.229 -2.200 -2.509 1.00 0.00 O ATOM 554 CB SER A 45 9.003 -1.397 -3.969 1.00 0.00 C ATOM 555 OG SER A 45 9.084 -2.148 -5.167 1.00 0.00 O ATOM 0 H SER A 45 11.259 -0.280 -5.603 1.00 0.00 H new ATOM 0 HA SER A 45 9.987 0.310 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.951 -2.073 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.085 -0.809 -3.967 1.00 0.00 H new ATOM 0 HG SER A 45 8.302 -2.734 -5.239 1.00 0.00 H new ATOM 561 N LYS A 46 12.577 -0.952 -3.800 1.00 0.00 N ATOM 562 CA LYS A 46 13.775 -1.685 -3.418 1.00 0.00 C ATOM 563 C LYS A 46 15.045 -0.905 -3.753 1.00 0.00 C ATOM 564 O LYS A 46 15.273 -0.535 -4.904 1.00 0.00 O ATOM 565 CB LYS A 46 13.799 -3.030 -4.141 1.00 0.00 C ATOM 566 CG LYS A 46 13.244 -4.184 -3.323 1.00 0.00 C ATOM 567 CD LYS A 46 14.278 -5.281 -3.129 1.00 0.00 C ATOM 568 CE LYS A 46 14.072 -6.419 -4.114 1.00 0.00 C ATOM 569 NZ LYS A 46 15.302 -7.241 -4.280 1.00 0.00 N ATOM 0 H LYS A 46 12.736 -0.187 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 46 13.748 -1.836 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.226 -2.944 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.826 -3.260 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.916 -3.817 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.366 -4.595 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.278 -4.866 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.217 -5.664 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.255 -7.054 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.774 -6.013 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.119 -8.006 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.075 -6.642 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.572 -7.650 -3.363 1.00 0.00 H new ATOM 583 N SER A 47 15.879 -0.685 -2.740 1.00 0.00 N ATOM 584 CA SER A 47 17.159 -0.006 -2.919 1.00 0.00 C ATOM 585 C SER A 47 18.239 -1.038 -3.182 1.00 0.00 C ATOM 586 O SER A 47 18.234 -2.094 -2.559 1.00 0.00 O ATOM 587 CB SER A 47 17.504 0.789 -1.660 1.00 0.00 C ATOM 588 OG SER A 47 18.312 1.910 -1.954 1.00 0.00 O ATOM 0 H SER A 47 15.689 -0.970 -1.779 1.00 0.00 H new ATOM 0 HA SER A 47 17.092 0.678 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.585 1.120 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.023 0.142 -0.952 1.00 0.00 H new ATOM 0 HG SER A 47 18.498 1.936 -2.916 1.00 0.00 H new ATOM 594 N TYR A 48 19.153 -0.768 -4.113 1.00 0.00 N ATOM 595 CA TYR A 48 20.203 -1.758 -4.394 1.00 0.00 C ATOM 596 C TYR A 48 21.581 -1.261 -3.994 1.00 0.00 C ATOM 597 O TYR A 48 22.060 -0.237 -4.480 1.00 0.00 O ATOM 598 CB TYR A 48 20.199 -2.201 -5.861 1.00 0.00 C ATOM 599 CG TYR A 48 18.832 -2.172 -6.490 1.00 0.00 C ATOM 600 CD1 TYR A 48 18.572 -1.395 -7.610 1.00 0.00 C ATOM 601 CD2 TYR A 48 17.799 -2.924 -5.955 1.00 0.00 C ATOM 602 CE1 TYR A 48 17.316 -1.371 -8.182 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.539 -2.908 -6.519 1.00 0.00 C ATOM 604 CZ TYR A 48 16.302 -2.129 -7.634 1.00 0.00 C ATOM 605 OH TYR A 48 15.048 -2.108 -8.200 1.00 0.00 O ATOM 0 H TYR A 48 19.194 0.088 -4.667 1.00 0.00 H new ATOM 0 HA TYR A 48 19.970 -2.628 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.867 -1.554 -6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.601 -3.212 -5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.364 -0.800 -8.040 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.982 -3.533 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.128 -0.762 -9.054 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.744 -3.501 -6.091 1.00 0.00 H new ATOM 0 HH TYR A 48 14.451 -2.697 -7.694 1.00 0.00 H new ATOM 615 N CYS A 49 22.217 -2.018 -3.108 1.00 0.00 N ATOM 616 CA CYS A 49 23.554 -1.693 -2.632 1.00 0.00 C ATOM 617 C CYS A 49 24.589 -1.975 -3.711 1.00 0.00 C ATOM 618 O CYS A 49 24.952 -3.127 -3.950 1.00 0.00 O ATOM 619 CB CYS A 49 23.882 -2.505 -1.378 1.00 0.00 C ATOM 620 SG CYS A 49 25.599 -2.324 -0.800 1.00 0.00 S ATOM 0 H CYS A 49 21.824 -2.867 -2.703 1.00 0.00 H new ATOM 0 HA CYS A 49 23.581 -0.631 -2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.207 -2.204 -0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.687 -3.558 -1.580 1.00 0.00 H new ATOM 625 N GLU A 50 25.056 -0.921 -4.362 1.00 0.00 N ATOM 626 CA GLU A 50 26.043 -1.065 -5.423 1.00 0.00 C ATOM 627 C GLU A 50 27.304 -0.267 -5.118 1.00 0.00 C ATOM 628 O GLU A 50 27.466 0.269 -4.021 1.00 0.00 O ATOM 629 CB GLU A 50 25.453 -0.620 -6.762 1.00 0.00 C ATOM 630 CG GLU A 50 25.444 -1.719 -7.810 1.00 0.00 C ATOM 631 CD GLU A 50 24.111 -1.839 -8.521 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.728 -0.884 -9.230 1.00 0.00 O ATOM 633 OE2 GLU A 50 23.449 -2.887 -8.369 1.00 0.00 O ATOM 0 H GLU A 50 24.770 0.040 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 50 26.315 -2.119 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.433 -0.271 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.025 0.228 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 50 26.226 -1.522 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.685 -2.670 -7.335 1.00 0.00 H new ATOM 640 N LEU A 51 28.200 -0.205 -6.095 1.00 0.00 N ATOM 641 CA LEU A 51 29.459 0.512 -5.939 1.00 0.00 C ATOM 642 C LEU A 51 29.333 1.951 -6.426 1.00 0.00 C ATOM 643 O LEU A 51 28.643 2.228 -7.406 1.00 0.00 O ATOM 644 CB LEU A 51 30.565 -0.203 -6.711 1.00 0.00 C ATOM 645 CG LEU A 51 30.418 -0.139 -8.229 1.00 0.00 C ATOM 646 CD1 LEU A 51 29.995 -1.489 -8.786 1.00 0.00 C ATOM 647 CD2 LEU A 51 31.715 0.323 -8.869 1.00 0.00 C ATOM 0 H LEU A 51 28.077 -0.645 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 51 29.712 0.531 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.525 0.232 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 30.588 -1.249 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 51 29.639 0.585 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 51 29.896 -1.421 -9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.747 -2.237 -8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 51 29.038 -1.778 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.593 0.363 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.972 1.314 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.513 -0.376 -8.620 1.00 0.00 H new ATOM 709 N MET A 57 30.788 2.958 -1.917 1.00 0.00 N ATOM 710 CA MET A 57 29.487 2.431 -1.519 1.00 0.00 C ATOM 711 C MET A 57 28.371 3.379 -1.943 1.00 0.00 C ATOM 712 O MET A 57 28.503 4.598 -1.841 1.00 0.00 O ATOM 713 CB MET A 57 29.421 2.203 0.001 1.00 0.00 C ATOM 714 CG MET A 57 30.745 2.391 0.732 1.00 0.00 C ATOM 715 SD MET A 57 31.001 4.089 1.283 1.00 0.00 S ATOM 716 CE MET A 57 31.699 3.815 2.909 1.00 0.00 C ATOM 0 HA MET A 57 29.353 1.473 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.687 2.888 0.426 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.059 1.192 0.187 1.00 0.00 H new ATOM 0 HG2 MET A 57 30.777 1.725 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.563 2.100 0.074 1.00 0.00 H new ATOM 0 HE1 MET A 57 31.912 4.775 3.380 1.00 0.00 H new ATOM 0 HE2 MET A 57 30.988 3.260 3.521 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.622 3.243 2.817 1.00 0.00 H new ATOM 726 N VAL A 58 27.272 2.807 -2.416 1.00 0.00 N ATOM 727 CA VAL A 58 26.124 3.591 -2.852 1.00 0.00 C ATOM 728 C VAL A 58 24.848 2.763 -2.794 1.00 0.00 C ATOM 729 O VAL A 58 24.897 1.535 -2.720 1.00 0.00 O ATOM 730 CB VAL A 58 26.312 4.122 -4.283 1.00 0.00 C ATOM 731 CG1 VAL A 58 27.186 5.367 -4.284 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.903 3.042 -5.169 1.00 0.00 C ATOM 0 H VAL A 58 27.151 1.798 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 58 26.041 4.438 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 58 25.337 4.399 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 58 27.306 5.726 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.715 6.143 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 58 28.164 5.126 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 58 27.031 3.430 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.871 2.735 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 58 26.232 2.183 -5.193 1.00 0.00 H new ATOM 742 N TRP A 59 23.706 3.438 -2.835 1.00 0.00 N ATOM 743 CA TRP A 59 22.420 2.758 -2.772 1.00 0.00 C ATOM 744 C TRP A 59 21.536 3.121 -3.961 1.00 0.00 C ATOM 745 O TRP A 59 21.190 4.285 -4.160 1.00 0.00 O ATOM 746 CB TRP A 59 21.702 3.115 -1.472 1.00 0.00 C ATOM 747 CG TRP A 59 22.196 2.355 -0.279 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.050 2.808 0.684 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.839 1.021 0.097 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.258 1.834 1.630 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.523 0.726 1.291 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.012 0.043 -0.464 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.402 -0.506 1.933 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.896 -1.177 0.171 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.583 -1.440 1.358 1.00 0.00 C ATOM 0 H TRP A 59 23.645 4.453 -2.911 1.00 0.00 H new ATOM 0 HA TRP A 59 22.610 1.685 -2.804 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.819 4.182 -1.285 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.635 2.928 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.498 3.791 0.700 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.860 1.920 2.449 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.473 0.239 -1.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 22.934 -0.715 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.264 -1.941 -0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.465 -2.403 1.833 1.00 0.00 H new ATOM 766 N ASN A 60 21.155 2.109 -4.732 1.00 0.00 N ATOM 767 CA ASN A 60 20.277 2.301 -5.880 1.00 0.00 C ATOM 768 C ASN A 60 18.872 2.656 -5.412 1.00 0.00 C ATOM 769 O ASN A 60 18.567 2.493 -4.237 1.00 0.00 O ATOM 770 CB ASN A 60 20.244 1.033 -6.720 1.00 0.00 C ATOM 771 CG ASN A 60 21.248 1.047 -7.851 1.00 0.00 C ATOM 772 OD1 ASN A 60 20.998 0.500 -8.925 1.00 0.00 O ATOM 773 ND2 ASN A 60 22.390 1.677 -7.622 1.00 0.00 N ATOM 0 H ASN A 60 21.442 1.142 -4.581 1.00 0.00 H new ATOM 0 HA ASN A 60 20.660 3.121 -6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.440 0.174 -6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.243 0.902 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.103 1.722 -8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.557 2.117 -6.717 1.00 0.00 H new ATOM 780 N PRO A 61 18.009 3.150 -6.331 1.00 0.00 N ATOM 781 CA PRO A 61 16.632 3.563 -6.059 1.00 0.00 C ATOM 782 C PRO A 61 16.050 2.987 -4.772 1.00 0.00 C ATOM 783 O PRO A 61 15.579 1.852 -4.741 1.00 0.00 O ATOM 784 CB PRO A 61 15.909 3.025 -7.291 1.00 0.00 C ATOM 785 CG PRO A 61 16.941 3.027 -8.389 1.00 0.00 C ATOM 786 CD PRO A 61 18.288 3.311 -7.754 1.00 0.00 C ATOM 0 HA PRO A 61 16.541 4.638 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.525 2.021 -7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.056 3.652 -7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.955 2.066 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.703 3.784 -9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.053 2.615 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.642 4.315 -7.987 1.00 0.00 H new ATOM 794 N GLU A 62 16.078 3.795 -3.714 1.00 0.00 N ATOM 795 CA GLU A 62 15.614 3.362 -2.397 1.00 0.00 C ATOM 796 C GLU A 62 14.207 3.865 -2.083 1.00 0.00 C ATOM 797 O GLU A 62 13.244 3.103 -2.141 1.00 0.00 O ATOM 798 CB GLU A 62 16.577 3.833 -1.287 1.00 0.00 C ATOM 799 CG GLU A 62 17.838 4.531 -1.784 1.00 0.00 C ATOM 800 CD GLU A 62 17.610 5.999 -2.092 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.476 6.607 -2.755 1.00 0.00 O ATOM 802 OE2 GLU A 62 16.567 6.539 -1.669 1.00 0.00 O ATOM 0 H GLU A 62 16.418 4.756 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 62 15.591 2.273 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.040 4.512 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.869 2.970 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.620 4.439 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.198 4.027 -2.681 1.00 0.00 H new ATOM 809 N ALA A 63 14.111 5.134 -1.691 1.00 0.00 N ATOM 810 CA ALA A 63 12.845 5.723 -1.255 1.00 0.00 C ATOM 811 C ALA A 63 11.904 6.058 -2.412 1.00 0.00 C ATOM 812 O ALA A 63 12.098 7.054 -3.108 1.00 0.00 O ATOM 813 CB ALA A 63 13.120 6.976 -0.437 1.00 0.00 C ATOM 0 H ALA A 63 14.901 5.779 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 63 12.340 4.972 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.176 7.414 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.718 6.716 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.663 7.697 -1.048 1.00 0.00 H new ATOM 819 N PRO A 64 10.808 5.287 -2.568 1.00 0.00 N ATOM 820 CA PRO A 64 9.791 5.533 -3.586 1.00 0.00 C ATOM 821 C PRO A 64 8.718 6.491 -3.068 1.00 0.00 C ATOM 822 O PRO A 64 8.972 7.274 -2.154 1.00 0.00 O ATOM 823 CB PRO A 64 9.194 4.133 -3.831 1.00 0.00 C ATOM 824 CG PRO A 64 9.872 3.218 -2.854 1.00 0.00 C ATOM 825 CD PRO A 64 10.457 4.099 -1.791 1.00 0.00 C ATOM 0 HA PRO A 64 10.194 5.995 -4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.115 4.137 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.369 3.808 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.162 2.511 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.649 2.632 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.740 4.321 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.327 3.647 -1.315 1.00 0.00 H new ATOM 833 N ILE A 65 7.511 6.402 -3.620 1.00 0.00 N ATOM 834 CA ILE A 65 6.409 7.251 -3.176 1.00 0.00 C ATOM 835 C ILE A 65 5.506 6.500 -2.204 1.00 0.00 C ATOM 836 O ILE A 65 5.624 5.286 -2.042 1.00 0.00 O ATOM 837 CB ILE A 65 5.554 7.757 -4.351 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.410 7.950 -5.604 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.859 9.054 -3.979 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.464 9.025 -5.457 1.00 0.00 C ATOM 0 H ILE A 65 7.272 5.755 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 65 6.862 8.110 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 65 4.796 7.005 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.897 7.006 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.761 8.202 -6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.258 9.399 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.214 8.887 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.605 9.809 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.032 9.106 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.983 9.979 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.137 8.765 -4.640 1.00 0.00 H new ATOM 852 N CYS A 66 4.597 7.228 -1.568 1.00 0.00 N ATOM 853 CA CYS A 66 3.666 6.632 -0.620 1.00 0.00 C ATOM 854 C CYS A 66 2.458 7.537 -0.402 1.00 0.00 C ATOM 855 O CYS A 66 2.577 8.763 -0.423 1.00 0.00 O ATOM 856 CB CYS A 66 4.364 6.366 0.714 1.00 0.00 C ATOM 857 SG CYS A 66 4.885 4.636 0.950 1.00 0.00 S ATOM 0 H CYS A 66 4.485 8.234 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 66 3.319 5.686 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.239 7.011 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.692 6.646 1.525 1.00 0.00 H new ATOM 862 N GLU A 67 1.297 6.927 -0.190 1.00 0.00 N ATOM 863 CA GLU A 67 0.068 7.679 0.031 1.00 0.00 C ATOM 864 C GLU A 67 -1.022 6.787 0.616 1.00 0.00 C ATOM 865 O GLU A 67 -0.860 5.570 0.703 1.00 0.00 O ATOM 866 CB GLU A 67 -0.418 8.295 -1.281 1.00 0.00 C ATOM 867 CG GLU A 67 -0.865 9.741 -1.146 1.00 0.00 C ATOM 868 CD GLU A 67 0.215 10.725 -1.549 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.315 10.275 -1.932 1.00 0.00 O ATOM 870 OE2 GLU A 67 -0.038 11.946 -1.478 1.00 0.00 O ATOM 0 H GLU A 67 1.182 5.914 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 67 0.284 8.474 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.383 8.239 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.247 7.702 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.748 9.904 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.158 9.932 -0.114 1.00 0.00 H new ATOM 877 N SER A 68 -2.136 7.399 1.005 1.00 0.00 N ATOM 878 CA SER A 68 -3.254 6.661 1.580 1.00 0.00 C ATOM 879 C SER A 68 -4.228 6.211 0.498 1.00 0.00 C ATOM 880 O SER A 68 -4.901 7.027 -0.130 1.00 0.00 O ATOM 881 CB SER A 68 -3.983 7.520 2.615 1.00 0.00 C ATOM 882 OG SER A 68 -4.909 8.394 1.994 1.00 0.00 O ATOM 0 H SER A 68 -2.288 8.405 0.932 1.00 0.00 H new ATOM 0 HA SER A 68 -2.854 5.774 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.505 6.876 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.258 8.100 3.186 1.00 0.00 H new ATOM 0 HG SER A 68 -4.896 8.250 1.025 1.00 0.00 H new ATOM 888 N VAL A 69 -4.298 4.901 0.294 1.00 0.00 N ATOM 889 CA VAL A 69 -5.186 4.320 -0.705 1.00 0.00 C ATOM 890 C VAL A 69 -6.592 4.900 -0.602 1.00 0.00 C ATOM 891 O VAL A 69 -7.392 4.475 0.231 1.00 0.00 O ATOM 892 CB VAL A 69 -5.272 2.788 -0.568 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.207 2.373 0.893 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.173 2.114 -1.371 1.00 0.00 C ATOM 0 H VAL A 69 -3.746 4.217 0.811 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.760 4.569 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.232 2.464 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.269 1.287 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.266 2.712 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.039 2.822 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.252 1.033 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.276 2.379 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.201 2.446 -1.007 1.00 0.00 H new ATOM 904 N LYS A 70 -6.888 5.865 -1.463 1.00 0.00 N ATOM 905 CA LYS A 70 -8.198 6.507 -1.476 1.00 0.00 C ATOM 906 C LYS A 70 -9.213 5.668 -2.249 1.00 0.00 C ATOM 907 O LYS A 70 -9.072 5.465 -3.455 1.00 0.00 O ATOM 908 CB LYS A 70 -8.095 7.899 -2.099 1.00 0.00 C ATOM 909 CG LYS A 70 -7.925 9.011 -1.078 1.00 0.00 C ATOM 910 CD LYS A 70 -9.201 9.821 -0.922 1.00 0.00 C ATOM 911 CE LYS A 70 -9.261 10.513 0.431 1.00 0.00 C ATOM 912 NZ LYS A 70 -9.731 11.922 0.315 1.00 0.00 N ATOM 0 H LYS A 70 -6.238 6.222 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.540 6.597 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.251 7.918 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.992 8.092 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.644 8.583 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.111 9.667 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.259 10.566 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.065 9.166 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.929 9.961 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.273 10.497 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.758 12.358 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.080 12.456 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.684 11.937 -0.100 1.00 0.00 H new ATOM 926 N CYS A 71 -10.238 5.187 -1.550 1.00 0.00 N ATOM 927 CA CYS A 71 -11.282 4.384 -2.179 1.00 0.00 C ATOM 928 C CYS A 71 -12.487 5.252 -2.513 1.00 0.00 C ATOM 929 O CYS A 71 -12.989 5.987 -1.663 1.00 0.00 O ATOM 930 CB CYS A 71 -11.730 3.220 -1.278 1.00 0.00 C ATOM 931 SG CYS A 71 -10.710 2.934 0.210 1.00 0.00 S ATOM 0 H CYS A 71 -10.368 5.339 -0.550 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.860 3.967 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.757 3.403 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.737 2.306 -1.872 1.00 0.00 H new ATOM 936 N GLN A 72 -12.950 5.159 -3.750 1.00 0.00 N ATOM 937 CA GLN A 72 -14.106 5.928 -4.183 1.00 0.00 C ATOM 938 C GLN A 72 -15.396 5.258 -3.714 1.00 0.00 C ATOM 939 O GLN A 72 -15.391 4.497 -2.747 1.00 0.00 O ATOM 940 CB GLN A 72 -14.096 6.086 -5.708 1.00 0.00 C ATOM 941 CG GLN A 72 -14.556 4.846 -6.458 1.00 0.00 C ATOM 942 CD GLN A 72 -13.578 4.418 -7.535 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.743 4.752 -8.708 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.552 3.673 -7.140 1.00 0.00 N ATOM 0 H GLN A 72 -12.544 4.561 -4.470 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.056 6.921 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.738 6.923 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.086 6.340 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.692 4.028 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.528 5.040 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.454 3.420 -6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.862 3.354 -7.820 1.00 0.00 H new ATOM 953 N SER A 73 -16.498 5.535 -4.405 1.00 0.00 N ATOM 954 CA SER A 73 -17.784 4.952 -4.049 1.00 0.00 C ATOM 955 C SER A 73 -17.663 3.439 -3.863 1.00 0.00 C ATOM 956 O SER A 73 -16.990 2.764 -4.642 1.00 0.00 O ATOM 957 CB SER A 73 -18.822 5.263 -5.128 1.00 0.00 C ATOM 958 OG SER A 73 -19.854 4.293 -5.140 1.00 0.00 O ATOM 0 H SER A 73 -16.525 6.158 -5.212 1.00 0.00 H new ATOM 0 HA SER A 73 -18.107 5.391 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.249 6.250 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.338 5.295 -6.104 1.00 0.00 H new ATOM 0 HG SER A 73 -20.702 4.714 -4.887 1.00 0.00 H new ATOM 964 N PRO A 74 -18.305 2.884 -2.819 1.00 0.00 N ATOM 965 CA PRO A 74 -18.259 1.443 -2.543 1.00 0.00 C ATOM 966 C PRO A 74 -18.818 0.619 -3.701 1.00 0.00 C ATOM 967 O PRO A 74 -19.490 1.151 -4.584 1.00 0.00 O ATOM 968 CB PRO A 74 -19.130 1.277 -1.291 1.00 0.00 C ATOM 969 CG PRO A 74 -19.228 2.641 -0.695 1.00 0.00 C ATOM 970 CD PRO A 74 -19.130 3.608 -1.838 1.00 0.00 C ATOM 0 HA PRO A 74 -17.237 1.089 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.116 0.888 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.681 0.573 -0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.170 2.765 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.428 2.809 0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.112 3.856 -2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.665 4.546 -1.534 1.00 0.00 H new ATOM 978 N PRO A 75 -18.532 -0.694 -3.721 1.00 0.00 N ATOM 979 CA PRO A 75 -18.999 -1.591 -4.778 1.00 0.00 C ATOM 980 C PRO A 75 -20.425 -1.290 -5.224 1.00 0.00 C ATOM 981 O PRO A 75 -21.213 -0.709 -4.478 1.00 0.00 O ATOM 982 CB PRO A 75 -18.926 -2.961 -4.114 1.00 0.00 C ATOM 983 CG PRO A 75 -17.788 -2.853 -3.156 1.00 0.00 C ATOM 984 CD PRO A 75 -17.734 -1.412 -2.709 1.00 0.00 C ATOM 0 HA PRO A 75 -18.403 -1.499 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -19.856 -3.202 -3.599 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.754 -3.749 -4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.934 -3.517 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.852 -3.146 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.152 -1.288 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.709 -1.043 -2.674 1.00 0.00 H new ATOM 992 N SER A 76 -20.746 -1.692 -6.448 1.00 0.00 N ATOM 993 CA SER A 76 -22.078 -1.481 -7.000 1.00 0.00 C ATOM 994 C SER A 76 -22.832 -2.802 -7.098 1.00 0.00 C ATOM 995 O SER A 76 -22.757 -3.497 -8.111 1.00 0.00 O ATOM 996 CB SER A 76 -21.985 -0.829 -8.381 1.00 0.00 C ATOM 997 OG SER A 76 -23.273 -0.632 -8.939 1.00 0.00 O ATOM 0 H SER A 76 -20.100 -2.167 -7.078 1.00 0.00 H new ATOM 0 HA SER A 76 -22.624 -0.815 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 76 -21.469 0.128 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.390 -1.457 -9.044 1.00 0.00 H new ATOM 0 HG SER A 76 -23.187 -0.213 -9.821 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.559 -3.140 -6.040 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.313 -4.386 -6.000 1.00 0.00 C ATOM 1005 C ILE A 77 -25.489 -4.353 -6.967 1.00 0.00 C ATOM 1006 O ILE A 77 -25.763 -3.331 -7.597 1.00 0.00 O ATOM 1007 CB ILE A 77 -24.844 -4.682 -4.584 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -25.864 -3.620 -4.161 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -23.696 -4.746 -3.591 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -26.669 -4.007 -2.940 1.00 0.00 C ATOM 0 H ILE A 77 -23.642 -2.569 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 77 -23.622 -5.176 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.343 -5.651 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.341 -2.685 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.545 -3.432 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.087 -4.956 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.005 -5.537 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.170 -3.791 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.370 -3.208 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.220 -4.925 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -25.997 -4.167 -2.097 1.00 0.00 H new ATOM 1022 N SER A 78 -26.181 -5.480 -7.077 1.00 0.00 N ATOM 1023 CA SER A 78 -27.338 -5.583 -7.954 1.00 0.00 C ATOM 1024 C SER A 78 -28.629 -5.506 -7.150 1.00 0.00 C ATOM 1025 O SER A 78 -28.736 -6.089 -6.071 1.00 0.00 O ATOM 1026 CB SER A 78 -27.294 -6.892 -8.745 1.00 0.00 C ATOM 1027 OG SER A 78 -25.958 -7.287 -9.004 1.00 0.00 O ATOM 0 H SER A 78 -25.960 -6.336 -6.569 1.00 0.00 H new ATOM 0 HA SER A 78 -27.311 -4.747 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.806 -7.675 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 78 -27.829 -6.770 -9.687 1.00 0.00 H new ATOM 0 HG SER A 78 -25.957 -8.127 -9.509 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.601 -4.771 -7.674 1.00 0.00 N ATOM 1034 CA ASN A 79 -30.884 -4.616 -7.004 1.00 0.00 C ATOM 1035 C ASN A 79 -30.730 -3.795 -5.731 1.00 0.00 C ATOM 1036 O ASN A 79 -31.495 -3.953 -4.779 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.493 -5.984 -6.671 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.087 -7.074 -7.639 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -30.929 -8.233 -7.256 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -30.902 -6.708 -8.897 1.00 0.00 N ATOM 0 H ASN A 79 -29.525 -4.273 -8.561 1.00 0.00 H new ATOM 0 HA ASN A 79 -31.555 -4.090 -7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.192 -6.272 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.580 -5.898 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -30.617 -7.398 -9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.044 -5.736 -9.172 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.735 -2.917 -5.722 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.499 -2.077 -4.565 1.00 0.00 C ATOM 1049 C GLY A 80 -28.481 -0.987 -4.830 1.00 0.00 C ATOM 1050 O GLY A 80 -28.227 -0.632 -5.981 1.00 0.00 O ATOM 0 H GLY A 80 -29.087 -2.772 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.439 -1.622 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.155 -2.696 -3.736 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.905 -0.448 -3.761 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.923 0.619 -3.879 1.00 0.00 C ATOM 1056 C ARG A 81 -26.246 0.888 -2.543 1.00 0.00 C ATOM 1057 O ARG A 81 -26.502 0.205 -1.552 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.587 1.902 -4.386 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.970 2.152 -3.804 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.832 2.969 -4.752 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.737 3.865 -4.037 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.363 5.031 -3.522 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.244 5.791 -2.887 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -29.106 5.440 -3.642 1.00 0.00 N ATOM 0 H ARG A 81 -28.103 -0.734 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.166 0.298 -4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.945 2.750 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.664 1.855 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.457 1.199 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.877 2.675 -2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.191 3.553 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.412 2.297 -5.384 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.710 3.580 -3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -32.211 5.481 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -30.955 6.686 -2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -28.425 4.859 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -28.821 6.336 -3.246 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.389 1.898 -2.528 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.668 2.277 -1.319 1.00 0.00 C ATOM 1080 C HIS A 82 -25.165 3.617 -0.786 1.00 0.00 C ATOM 1081 O HIS A 82 -25.941 4.309 -1.446 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.168 2.351 -1.602 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.832 3.116 -2.845 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.957 2.584 -4.112 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.378 4.380 -3.013 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.593 3.488 -5.004 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.239 4.586 -4.363 1.00 0.00 N ATOM 0 H HIS A 82 -25.174 2.473 -3.343 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.852 1.516 -0.560 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.668 2.816 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.772 1.339 -1.689 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -23.280 1.640 -4.326 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.165 5.093 -2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.586 3.352 -6.075 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.716 3.978 0.413 1.00 0.00 N ATOM 1097 CA ASN A 83 -25.116 5.238 1.030 1.00 0.00 C ATOM 1098 C ASN A 83 -23.986 6.262 0.952 1.00 0.00 C ATOM 1099 O ASN A 83 -23.908 7.039 0.002 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.529 5.007 2.486 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.842 4.260 2.603 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.638 4.228 1.664 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -27.074 3.651 3.760 1.00 0.00 N ATOM 0 H ASN A 83 -24.076 3.417 0.975 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.971 5.633 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.748 4.445 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.614 5.968 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.940 3.130 3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.386 3.704 4.511 1.00 0.00 H new ATOM 1165 N PHE A 88 -15.317 10.301 -1.566 1.00 0.00 N ATOM 1166 CA PHE A 88 -14.190 9.379 -1.492 1.00 0.00 C ATOM 1167 C PHE A 88 -14.072 8.763 -0.103 1.00 0.00 C ATOM 1168 O PHE A 88 -14.829 9.104 0.806 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.891 10.100 -1.853 1.00 0.00 C ATOM 1170 CG PHE A 88 -12.506 9.948 -3.291 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -13.159 10.666 -4.277 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.488 9.086 -3.654 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -12.803 10.525 -5.603 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.127 8.939 -4.976 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.785 9.660 -5.954 1.00 0.00 C ATOM 0 HA PHE A 88 -14.367 8.577 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.997 11.160 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.085 9.717 -1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.955 11.344 -4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.970 8.521 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.320 11.090 -6.365 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.331 8.261 -5.247 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.504 9.547 -6.991 1.00 0.00 H new ATOM 1185 N TYR A 89 -13.115 7.854 0.053 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.899 7.183 1.329 1.00 0.00 C ATOM 1187 C TYR A 89 -11.446 6.743 1.474 1.00 0.00 C ATOM 1188 O TYR A 89 -10.711 6.661 0.490 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.831 5.977 1.450 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.293 6.335 1.299 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.874 6.454 0.042 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -16.086 6.576 2.413 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -17.207 6.786 -0.099 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -17.420 6.912 2.279 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.974 7.015 1.022 1.00 0.00 C ATOM 1196 OH TYR A 89 -19.299 7.350 0.884 1.00 0.00 O ATOM 0 H TYR A 89 -12.477 7.565 -0.689 1.00 0.00 H new ATOM 0 HA TYR A 89 -13.122 7.888 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.564 5.242 0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.678 5.504 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.273 6.284 -0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.654 6.500 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.646 6.866 -1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -18.025 7.093 3.155 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.698 7.477 1.770 1.00 0.00 H new ATOM 1206 N THR A 90 -11.034 6.471 2.708 1.00 0.00 N ATOM 1207 CA THR A 90 -9.662 6.056 2.979 1.00 0.00 C ATOM 1208 C THR A 90 -9.626 4.774 3.806 1.00 0.00 C ATOM 1209 O THR A 90 -10.664 4.178 4.093 1.00 0.00 O ATOM 1210 CB THR A 90 -8.910 7.170 3.709 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.716 7.735 4.729 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.470 8.291 2.795 1.00 0.00 C ATOM 0 H THR A 90 -11.629 6.530 3.534 1.00 0.00 H new ATOM 0 HA THR A 90 -9.175 5.858 2.024 1.00 0.00 H new ATOM 0 HB THR A 90 -8.022 6.695 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.217 8.444 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.943 9.048 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.806 7.895 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.344 8.740 2.323 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.422 4.354 4.181 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.245 3.144 4.970 1.00 0.00 C ATOM 1222 C ASP A 91 -8.870 3.295 6.344 1.00 0.00 C ATOM 1223 O ASP A 91 -8.253 3.817 7.273 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.761 2.808 5.108 1.00 0.00 C ATOM 1225 CG ASP A 91 -5.922 4.022 5.456 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.523 4.150 6.633 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.662 4.843 4.552 1.00 0.00 O ATOM 0 H ASP A 91 -7.554 4.836 3.950 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.747 2.328 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.634 2.049 5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.401 2.377 4.174 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.103 2.833 6.460 1.00 0.00 N ATOM 1233 CA GLY A 92 -10.801 2.891 7.728 1.00 0.00 C ATOM 1234 C GLY A 92 -12.157 3.567 7.637 1.00 0.00 C ATOM 1235 O GLY A 92 -12.711 3.989 8.651 1.00 0.00 O ATOM 0 H GLY A 92 -10.636 2.417 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.933 1.878 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.184 3.426 8.450 1.00 0.00 H new ATOM 1239 N SER A 93 -12.701 3.666 6.427 1.00 0.00 N ATOM 1240 CA SER A 93 -14.008 4.283 6.230 1.00 0.00 C ATOM 1241 C SER A 93 -15.103 3.222 6.204 1.00 0.00 C ATOM 1242 O SER A 93 -14.824 2.036 6.029 1.00 0.00 O ATOM 1243 CB SER A 93 -14.030 5.089 4.931 1.00 0.00 C ATOM 1244 OG SER A 93 -12.716 5.406 4.503 1.00 0.00 O ATOM 0 H SER A 93 -12.259 3.328 5.572 1.00 0.00 H new ATOM 0 HA SER A 93 -14.195 4.958 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.541 4.519 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.599 6.007 5.079 1.00 0.00 H new ATOM 0 HG SER A 93 -12.323 4.630 4.051 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.348 3.648 6.384 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.472 2.723 6.387 1.00 0.00 C ATOM 1252 C VAL A 94 -18.662 3.293 5.621 1.00 0.00 C ATOM 1253 O VAL A 94 -18.866 4.506 5.573 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.900 2.370 7.827 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.764 1.671 8.553 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.152 1.502 7.831 1.00 0.00 C ATOM 0 H VAL A 94 -16.603 4.625 6.529 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.140 1.813 5.887 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.135 3.297 8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.077 1.426 9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.503 0.755 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.896 2.329 8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.430 1.269 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.968 2.038 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.955 0.577 7.290 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.445 2.399 5.028 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.626 2.791 4.268 1.00 0.00 C ATOM 1268 C VAL A 95 -21.727 1.750 4.408 1.00 0.00 C ATOM 1269 O VAL A 95 -21.454 0.559 4.553 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.303 2.973 2.775 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.495 3.548 2.030 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.084 3.859 2.595 1.00 0.00 C ATOM 0 H VAL A 95 -19.282 1.393 5.059 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.964 3.744 4.676 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.080 1.992 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.242 3.668 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.344 2.871 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.755 4.518 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.872 3.975 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.277 4.837 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.226 3.402 3.088 1.00 0.00 H new ATOM 1282 N THR A 96 -22.972 2.204 4.355 1.00 0.00 N ATOM 1283 CA THR A 96 -24.114 1.308 4.477 1.00 0.00 C ATOM 1284 C THR A 96 -24.806 1.120 3.133 1.00 0.00 C ATOM 1285 O THR A 96 -25.103 2.088 2.433 1.00 0.00 O ATOM 1286 CB THR A 96 -25.106 1.847 5.508 1.00 0.00 C ATOM 1287 OG1 THR A 96 -24.838 3.209 5.796 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.081 1.086 6.815 1.00 0.00 C ATOM 0 H THR A 96 -23.217 3.186 4.229 1.00 0.00 H new ATOM 0 HA THR A 96 -23.747 0.338 4.812 1.00 0.00 H new ATOM 0 HB THR A 96 -26.090 1.726 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.484 3.537 6.456 1.00 0.00 H new ATOM 0 HG21 THR A 96 -25.808 1.519 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.332 0.041 6.633 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.085 1.149 7.253 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.055 -0.135 2.779 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.705 -0.460 1.517 1.00 0.00 C ATOM 1298 C TYR A 97 -27.218 -0.506 1.679 1.00 0.00 C ATOM 1299 O TYR A 97 -27.729 -0.644 2.790 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.199 -1.804 0.996 1.00 0.00 C ATOM 1301 CG TYR A 97 -23.946 -1.699 0.163 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -22.835 -1.013 0.632 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -23.869 -2.299 -1.086 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.685 -0.918 -0.123 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.720 -2.210 -1.848 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.630 -1.521 -1.360 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.486 -1.428 -2.117 1.00 0.00 O ATOM 0 H TYR A 97 -24.816 -0.945 3.350 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.459 0.321 0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.007 -2.463 1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -25.983 -2.271 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -22.871 -0.545 1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -24.720 -2.844 -1.468 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -20.832 -0.374 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.676 -2.678 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.634 -0.804 -2.858 1.00 0.00 H new ATOM 1317 N SER A 98 -27.930 -0.397 0.564 1.00 0.00 N ATOM 1318 CA SER A 98 -29.389 -0.426 0.592 1.00 0.00 C ATOM 1319 C SER A 98 -29.967 -0.838 -0.757 1.00 0.00 C ATOM 1320 O SER A 98 -29.499 -0.395 -1.805 1.00 0.00 O ATOM 1321 CB SER A 98 -29.935 0.946 0.989 1.00 0.00 C ATOM 1322 OG SER A 98 -29.938 1.834 -0.115 1.00 0.00 O ATOM 0 H SER A 98 -27.525 -0.288 -0.366 1.00 0.00 H new ATOM 0 HA SER A 98 -29.691 -1.168 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 98 -30.948 0.839 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.329 1.363 1.793 1.00 0.00 H new ATOM 0 HG SER A 98 -30.293 2.703 0.165 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.002 -1.673 -0.721 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.654 -2.133 -1.941 1.00 0.00 C ATOM 1330 C CYS A 99 -32.430 -0.998 -2.602 1.00 0.00 C ATOM 1331 O CYS A 99 -32.693 0.029 -1.977 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.595 -3.297 -1.634 1.00 0.00 C ATOM 1333 SG CYS A 99 -31.777 -4.728 -0.857 1.00 0.00 S ATOM 0 H CYS A 99 -31.406 -2.044 0.139 1.00 0.00 H new ATOM 0 HA CYS A 99 -30.881 -2.473 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.389 -2.945 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.069 -3.622 -2.560 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.800 -1.190 -3.865 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.556 -0.172 -4.597 1.00 0.00 C ATOM 1340 C ASN A 100 -35.037 -0.530 -4.669 1.00 0.00 C ATOM 1341 O ASN A 100 -35.836 -0.079 -3.848 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.007 0.031 -6.013 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.292 -1.177 -6.557 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -32.802 -2.296 -6.506 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.107 -0.953 -7.087 1.00 0.00 N ATOM 0 H ASN A 100 -32.592 -2.032 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.443 0.761 -4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.830 0.288 -6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -32.322 0.879 -6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.569 -1.726 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -30.727 -0.007 -7.105 1.00 0.00 H new ATOM 1352 N SER A 101 -35.396 -1.339 -5.662 1.00 0.00 N ATOM 1353 CA SER A 101 -36.784 -1.750 -5.861 1.00 0.00 C ATOM 1354 C SER A 101 -37.441 -2.160 -4.545 1.00 0.00 C ATOM 1355 O SER A 101 -38.647 -1.991 -4.365 1.00 0.00 O ATOM 1356 CB SER A 101 -36.852 -2.909 -6.858 1.00 0.00 C ATOM 1357 OG SER A 101 -38.043 -2.852 -7.625 1.00 0.00 O ATOM 0 H SER A 101 -34.743 -1.724 -6.344 1.00 0.00 H new ATOM 0 HA SER A 101 -37.330 -0.895 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 101 -35.987 -2.874 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.806 -3.857 -6.322 1.00 0.00 H new ATOM 0 HG SER A 101 -38.062 -3.602 -8.256 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.644 -2.703 -3.631 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.169 -3.122 -2.346 1.00 0.00 C ATOM 1365 C GLY A 102 -36.758 -4.534 -1.979 1.00 0.00 C ATOM 1366 O GLY A 102 -37.578 -5.328 -1.518 1.00 0.00 O ATOM 0 H GLY A 102 -35.644 -2.860 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.822 -2.435 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.257 -3.058 -2.364 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.482 -4.845 -2.179 1.00 0.00 N ATOM 1371 CA TYR A 103 -34.954 -6.166 -1.869 1.00 0.00 C ATOM 1372 C TYR A 103 -34.511 -6.245 -0.411 1.00 0.00 C ATOM 1373 O TYR A 103 -34.735 -5.319 0.367 1.00 0.00 O ATOM 1374 CB TYR A 103 -33.783 -6.489 -2.799 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.214 -7.040 -4.139 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.367 -8.407 -4.334 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -34.479 -6.192 -5.207 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -34.762 -8.914 -5.557 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -34.876 -6.691 -6.433 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.018 -8.052 -6.603 1.00 0.00 C ATOM 1381 OH TYR A 103 -35.413 -8.554 -7.822 1.00 0.00 O ATOM 0 H TYR A 103 -34.792 -4.196 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 103 -35.744 -6.901 -2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.195 -5.585 -2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.130 -7.212 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.174 -9.085 -3.516 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -34.373 -5.125 -5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -34.870 -9.980 -5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -35.074 -6.018 -7.254 1.00 0.00 H new ATOM 0 HH TYR A 103 -35.554 -7.815 -8.450 1.00 0.00 H new ATOM 1391 N SER A 104 -33.889 -7.361 -0.046 1.00 0.00 N ATOM 1392 CA SER A 104 -33.425 -7.566 1.319 1.00 0.00 C ATOM 1393 C SER A 104 -31.902 -7.566 1.387 1.00 0.00 C ATOM 1394 O SER A 104 -31.248 -8.515 0.954 1.00 0.00 O ATOM 1395 CB SER A 104 -33.968 -8.885 1.874 1.00 0.00 C ATOM 1396 OG SER A 104 -35.384 -8.918 1.822 1.00 0.00 O ATOM 0 H SER A 104 -33.695 -8.138 -0.678 1.00 0.00 H new ATOM 0 HA SER A 104 -33.798 -6.741 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 104 -33.561 -9.719 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 104 -33.636 -9.013 2.904 1.00 0.00 H new ATOM 0 HG SER A 104 -35.705 -9.772 2.181 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.348 -6.498 1.953 1.00 0.00 N ATOM 1403 CA LEU A 105 -29.906 -6.358 2.114 1.00 0.00 C ATOM 1404 C LEU A 105 -29.284 -7.646 2.635 1.00 0.00 C ATOM 1405 O LEU A 105 -29.541 -8.062 3.765 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.604 -5.214 3.081 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.530 -4.223 2.624 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -28.726 -3.839 1.165 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.139 -4.796 2.849 1.00 0.00 C ATOM 0 H LEU A 105 -31.885 -5.708 2.312 1.00 0.00 H new ATOM 0 HA LEU A 105 -29.474 -6.139 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.527 -4.663 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.295 -5.641 4.035 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.629 -3.319 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -27.950 -3.134 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -28.665 -4.732 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.704 -3.375 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.391 -4.076 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -26.998 -5.003 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.030 -5.720 2.281 1.00 0.00 H new ATOM 1421 N ILE A 106 -28.477 -8.278 1.798 1.00 0.00 N ATOM 1422 CA ILE A 106 -27.813 -9.515 2.166 1.00 0.00 C ATOM 1423 C ILE A 106 -26.511 -9.223 2.895 1.00 0.00 C ATOM 1424 O ILE A 106 -25.936 -8.148 2.742 1.00 0.00 O ATOM 1425 CB ILE A 106 -27.532 -10.376 0.927 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -28.844 -10.720 0.224 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -26.780 -11.642 1.308 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -29.758 -11.597 1.049 1.00 0.00 C ATOM 0 H ILE A 106 -28.266 -7.951 0.855 1.00 0.00 H new ATOM 0 HA ILE A 106 -28.478 -10.067 2.830 1.00 0.00 H new ATOM 0 HB ILE A 106 -26.904 -9.807 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -29.367 -9.796 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -28.622 -11.224 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -26.592 -12.236 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -25.831 -11.375 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -27.378 -12.223 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -30.670 -11.801 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -29.254 -12.536 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.010 -11.087 1.979 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.055 -10.177 3.693 1.00 0.00 N ATOM 1441 CA GLY A 107 -24.841 -9.974 4.456 1.00 0.00 C ATOM 1442 C GLY A 107 -24.969 -8.802 5.402 1.00 0.00 C ATOM 1443 O GLY A 107 -25.911 -8.730 6.192 1.00 0.00 O ATOM 0 H GLY A 107 -26.502 -11.084 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.611 -10.876 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.007 -9.804 3.775 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.039 -7.868 5.300 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.065 -6.672 6.132 1.00 0.00 C ATOM 1449 C ASN A 108 -24.050 -5.417 5.267 1.00 0.00 C ATOM 1450 O ASN A 108 -23.290 -5.324 4.302 1.00 0.00 O ATOM 1451 CB ASN A 108 -22.875 -6.655 7.092 1.00 0.00 C ATOM 1452 CG ASN A 108 -22.526 -8.036 7.613 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.983 -8.443 8.681 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -21.715 -8.766 6.857 1.00 0.00 N ATOM 0 H ASN A 108 -23.255 -7.913 4.649 1.00 0.00 H new ATOM 0 HA ASN A 108 -24.986 -6.688 6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.008 -6.233 6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.101 -6.000 7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -21.447 -9.704 7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -21.360 -8.389 5.979 1.00 0.00 H new ATOM 1461 N SER A 109 -24.900 -4.458 5.612 1.00 0.00 N ATOM 1462 CA SER A 109 -24.988 -3.210 4.872 1.00 0.00 C ATOM 1463 C SER A 109 -23.698 -2.408 5.012 1.00 0.00 C ATOM 1464 O SER A 109 -23.311 -1.670 4.105 1.00 0.00 O ATOM 1465 CB SER A 109 -26.184 -2.398 5.369 1.00 0.00 C ATOM 1466 OG SER A 109 -25.794 -1.438 6.334 1.00 0.00 O ATOM 0 H SER A 109 -25.540 -4.523 6.404 1.00 0.00 H new ATOM 0 HA SER A 109 -25.129 -3.436 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.660 -1.896 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.926 -3.069 5.801 1.00 0.00 H new ATOM 0 HG SER A 109 -26.545 -1.257 6.938 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.028 -2.578 6.146 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.787 -1.870 6.390 1.00 0.00 C ATOM 1474 C GLY A 110 -20.641 -2.396 5.547 1.00 0.00 C ATOM 1475 O GLY A 110 -20.473 -3.606 5.400 1.00 0.00 O ATOM 0 H GLY A 110 -23.324 -3.195 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.930 -0.810 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.526 -1.954 7.445 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.848 -1.483 4.995 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.707 -1.859 4.167 1.00 0.00 C ATOM 1481 C VAL A 111 -17.452 -1.112 4.602 1.00 0.00 C ATOM 1482 O VAL A 111 -17.407 0.118 4.566 1.00 0.00 O ATOM 1483 CB VAL A 111 -18.966 -1.579 2.678 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.017 -2.386 1.808 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.412 -1.876 2.318 1.00 0.00 C ATOM 0 H VAL A 111 -19.975 -0.477 5.106 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.561 -2.931 4.300 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.781 -0.521 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.217 -2.174 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -16.988 -2.115 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.165 -3.449 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.573 -1.671 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.630 -2.924 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.072 -1.246 2.914 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.437 -1.862 5.017 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.188 -1.270 5.480 1.00 0.00 C ATOM 1497 C LEU A 112 -14.298 -0.860 4.314 1.00 0.00 C ATOM 1498 O LEU A 112 -13.872 -1.699 3.520 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.432 -2.255 6.377 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.998 -1.843 6.731 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.237 -3.017 7.328 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.008 -0.666 7.694 1.00 0.00 C ATOM 0 H LEU A 112 -16.455 -2.882 5.042 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.441 -0.376 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.995 -2.386 7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.403 -3.225 5.881 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.490 -1.536 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.222 -2.706 7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.741 -3.355 8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.202 -3.833 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.983 -0.385 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.516 0.179 7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.532 -0.948 8.607 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.993 0.429 4.239 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.099 0.939 3.211 1.00 0.00 C ATOM 1516 C CYS A 113 -11.658 0.802 3.674 1.00 0.00 C ATOM 1517 O CYS A 113 -11.190 1.578 4.509 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.403 2.403 2.910 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.212 3.195 1.781 1.00 0.00 S ATOM 0 H CYS A 113 -14.352 1.139 4.878 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.249 0.358 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.400 2.474 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.423 2.959 3.847 1.00 0.00 H new ATOM 1524 N SER A 114 -10.971 -0.209 3.165 1.00 0.00 N ATOM 1525 CA SER A 114 -9.596 -0.463 3.565 1.00 0.00 C ATOM 1526 C SER A 114 -8.732 -0.859 2.377 1.00 0.00 C ATOM 1527 O SER A 114 -9.221 -1.398 1.385 1.00 0.00 O ATOM 1528 CB SER A 114 -9.552 -1.562 4.628 1.00 0.00 C ATOM 1529 OG SER A 114 -8.298 -1.586 5.287 1.00 0.00 O ATOM 0 H SER A 114 -11.341 -0.865 2.477 1.00 0.00 H new ATOM 0 HA SER A 114 -9.195 0.462 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.346 -1.399 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.740 -2.530 4.163 1.00 0.00 H new ATOM 0 HG SER A 114 -8.297 -2.296 5.962 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.438 -0.591 2.498 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.500 -0.927 1.443 1.00 0.00 C ATOM 1537 C GLY A 115 -6.980 -0.502 0.069 1.00 0.00 C ATOM 1538 O GLY A 115 -6.702 -1.172 -0.926 1.00 0.00 O ATOM 0 H GLY A 115 -7.019 -0.144 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.542 -0.451 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.329 -2.003 1.445 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.694 0.617 0.009 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.197 1.104 -1.261 1.00 0.00 C ATOM 1544 C GLY A 116 -9.301 0.233 -1.827 1.00 0.00 C ATOM 1545 O GLY A 116 -9.690 0.390 -2.985 1.00 0.00 O ATOM 0 H GLY A 116 -7.933 1.194 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.571 2.120 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.376 1.154 -1.977 1.00 0.00 H new ATOM 1549 N GLU A 117 -9.807 -0.689 -1.013 1.00 0.00 N ATOM 1550 CA GLU A 117 -10.881 -1.573 -1.436 1.00 0.00 C ATOM 1551 C GLU A 117 -11.988 -1.598 -0.394 1.00 0.00 C ATOM 1552 O GLU A 117 -11.863 -1.002 0.675 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.350 -2.988 -1.669 1.00 0.00 C ATOM 1554 CG GLU A 117 -9.744 -3.623 -0.428 1.00 0.00 C ATOM 1555 CD GLU A 117 -9.531 -5.116 -0.581 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -9.161 -5.768 0.417 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -9.734 -5.633 -1.700 1.00 0.00 O ATOM 0 H GLU A 117 -9.488 -0.841 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.288 -1.193 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.164 -3.618 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.597 -2.959 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.790 -3.144 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.397 -3.439 0.425 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.069 -2.292 -0.712 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.203 -2.386 0.189 1.00 0.00 C ATOM 1566 C TRP A 118 -14.429 -3.828 0.625 1.00 0.00 C ATOM 1567 O TRP A 118 -14.498 -4.735 -0.204 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.449 -1.839 -0.498 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.404 -0.357 -0.708 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -14.923 0.300 -1.804 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.844 0.654 0.205 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.048 1.656 -1.632 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.609 1.899 -0.406 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.419 0.628 1.479 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.926 3.104 0.211 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.734 1.827 2.092 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.491 3.051 1.456 1.00 0.00 C ATOM 0 H TRP A 118 -13.184 -2.799 -1.590 1.00 0.00 H new ATOM 0 HA TRP A 118 -13.994 -1.793 1.079 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -15.571 -2.333 -1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.325 -2.088 0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.505 -0.177 -2.678 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.769 2.367 -2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.614 -0.311 1.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.733 4.049 -0.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.175 1.819 3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.755 3.970 1.958 1.00 0.00 H new ATOM 1588 N SER A 119 -14.529 -4.036 1.933 1.00 0.00 N ATOM 1589 CA SER A 119 -14.721 -5.373 2.478 1.00 0.00 C ATOM 1590 C SER A 119 -16.117 -5.538 3.068 1.00 0.00 C ATOM 1591 O SER A 119 -16.690 -4.596 3.615 1.00 0.00 O ATOM 1592 CB SER A 119 -13.669 -5.661 3.550 1.00 0.00 C ATOM 1593 OG SER A 119 -12.962 -4.484 3.902 1.00 0.00 O ATOM 0 H SER A 119 -14.480 -3.297 2.634 1.00 0.00 H new ATOM 0 HA SER A 119 -14.611 -6.085 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.151 -6.077 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 119 -12.970 -6.413 3.185 1.00 0.00 H new ATOM 0 HG SER A 119 -12.297 -4.695 4.590 1.00 0.00 H new ATOM 1599 N ASP A 120 -16.652 -6.749 2.958 1.00 0.00 N ATOM 1600 CA ASP A 120 -17.969 -7.068 3.500 1.00 0.00 C ATOM 1601 C ASP A 120 -19.096 -6.418 2.699 1.00 0.00 C ATOM 1602 O ASP A 120 -20.032 -5.864 3.275 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.054 -6.628 4.960 1.00 0.00 C ATOM 1604 CG ASP A 120 -18.774 -7.641 5.829 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -18.668 -8.852 5.542 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.445 -7.223 6.796 1.00 0.00 O ATOM 0 H ASP A 120 -16.190 -7.532 2.495 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.095 -8.148 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.048 -6.471 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.572 -5.670 5.018 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.049 -6.510 1.359 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.099 -5.962 0.500 1.00 0.00 C ATOM 1613 C PRO A 121 -21.351 -6.839 0.524 1.00 0.00 C ATOM 1614 O PRO A 121 -21.261 -8.058 0.376 1.00 0.00 O ATOM 1615 CB PRO A 121 -19.461 -5.971 -0.886 1.00 0.00 C ATOM 1616 CG PRO A 121 -18.490 -7.102 -0.841 1.00 0.00 C ATOM 1617 CD PRO A 121 -17.986 -7.171 0.579 1.00 0.00 C ATOM 0 HA PRO A 121 -20.428 -4.972 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.208 -6.119 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -18.961 -5.026 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -18.969 -8.038 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -17.668 -6.937 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.835 -8.201 0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.030 -6.659 0.690 1.00 0.00 H new ATOM 1625 N PRO A 122 -22.534 -6.240 0.736 1.00 0.00 N ATOM 1626 CA PRO A 122 -23.785 -6.985 0.816 1.00 0.00 C ATOM 1627 C PRO A 122 -24.428 -7.229 -0.536 1.00 0.00 C ATOM 1628 O PRO A 122 -23.872 -6.894 -1.581 1.00 0.00 O ATOM 1629 CB PRO A 122 -24.680 -6.079 1.654 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.164 -4.692 1.434 1.00 0.00 C ATOM 1631 CD PRO A 122 -22.742 -4.798 0.943 1.00 0.00 C ATOM 0 HA PRO A 122 -23.624 -7.979 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -25.722 -6.163 1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -24.636 -6.351 2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -24.781 -4.167 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.206 -4.118 2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -22.598 -4.239 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.039 -4.395 1.672 1.00 0.00 H new ATOM 1639 N THR A 123 -25.619 -7.806 -0.490 1.00 0.00 N ATOM 1640 CA THR A 123 -26.391 -8.081 -1.694 1.00 0.00 C ATOM 1641 C THR A 123 -27.846 -7.690 -1.482 1.00 0.00 C ATOM 1642 O THR A 123 -28.196 -7.107 -0.456 1.00 0.00 O ATOM 1643 CB THR A 123 -26.295 -9.561 -2.073 1.00 0.00 C ATOM 1644 OG1 THR A 123 -25.219 -10.184 -1.394 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.099 -9.788 -3.556 1.00 0.00 C ATOM 0 H THR A 123 -26.076 -8.095 0.375 1.00 0.00 H new ATOM 0 HA THR A 123 -25.978 -7.489 -2.511 1.00 0.00 H new ATOM 0 HB THR A 123 -27.250 -9.997 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 123 -25.175 -11.129 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.039 -10.858 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 123 -26.940 -9.363 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.176 -9.306 -3.879 1.00 0.00 H new ATOM 1653 N CYS A 124 -28.689 -8.007 -2.452 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.100 -7.671 -2.358 1.00 0.00 C ATOM 1655 C CYS A 124 -30.968 -8.785 -2.927 1.00 0.00 C ATOM 1656 O CYS A 124 -31.211 -8.845 -4.132 1.00 0.00 O ATOM 1657 CB CYS A 124 -30.375 -6.358 -3.090 1.00 0.00 C ATOM 1658 SG CYS A 124 -29.982 -4.873 -2.111 1.00 0.00 S ATOM 0 H CYS A 124 -28.423 -8.493 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.353 -7.552 -1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -29.794 -6.338 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.426 -6.326 -3.376 1.00 0.00 H new ATOM 1663 N GLN A 125 -31.428 -9.669 -2.049 1.00 0.00 N ATOM 1664 CA GLN A 125 -32.269 -10.781 -2.457 1.00 0.00 C ATOM 1665 C GLN A 125 -33.631 -10.703 -1.780 1.00 0.00 C ATOM 1666 O GLN A 125 -33.841 -9.901 -0.871 1.00 0.00 O ATOM 1667 CB GLN A 125 -31.591 -12.110 -2.119 1.00 0.00 C ATOM 1668 CG GLN A 125 -30.659 -12.612 -3.211 1.00 0.00 C ATOM 1669 CD GLN A 125 -29.558 -13.506 -2.675 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -29.767 -14.273 -1.735 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -28.376 -13.412 -3.273 1.00 0.00 N ATOM 0 H GLN A 125 -31.231 -9.634 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 125 -32.415 -10.722 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -31.025 -11.995 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -32.357 -12.862 -1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -31.238 -13.161 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -30.212 -11.759 -3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -28.247 -12.763 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -27.597 -13.989 -2.956 1.00 0.00 H new ATOM 1680 N ILE A 126 -34.555 -11.535 -2.237 1.00 0.00 N ATOM 1681 CA ILE A 126 -35.902 -11.564 -1.684 1.00 0.00 C ATOM 1682 C ILE A 126 -36.027 -12.649 -0.617 1.00 0.00 C ATOM 1683 O ILE A 126 -36.525 -13.743 -0.882 1.00 0.00 O ATOM 1684 CB ILE A 126 -36.950 -11.800 -2.791 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -36.901 -10.662 -3.811 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -38.348 -11.929 -2.201 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.495 -9.365 -3.305 1.00 0.00 C ATOM 0 H ILE A 126 -34.396 -12.202 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.090 -10.593 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 126 -36.712 -12.736 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -35.864 -10.488 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -37.434 -10.969 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.067 -12.095 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -38.375 -12.771 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -38.604 -11.013 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.425 -8.605 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.542 -9.522 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -36.947 -9.033 -2.423 1.00 0.00 H new