USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 966 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 84 THR OG1 : rot -95:sc= -3.77! USER MOD Set 1.2: A 99 SER OG : rot 168:sc= -0.711! USER MOD Set 2.1: A 42 THR OG1 : rot 6:sc= -1.26! USER MOD Set 2.2: A 46 SER OG : rot -68:sc= -4.34! USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 41 ASN : amide:sc= -11.5! C(o=-12!,f=-23!) USER MOD Single : A 1 MET CE :methyl -150:sc= -0.0558 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ -158:sc=-0.00574 (180deg=-0.26) USER MOD Single : A 2 ASN : amide:sc= -0.578 K(o=-0.58,f=-4.1!) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0907) USER MOD Single : A 20 CYS SG : rot 132:sc= -15.1! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -142:sc= 0.793 USER MOD Single : A 76 GLN : amide:sc= -1.9! C(o=-1.9!,f=-5.6!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -2.12! C(o=-2.1!,f=-6.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 156:sc= -4.28! (180deg=-6.7!) USER MOD Single : A 89 SER OG : rot 67:sc= 1.43 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -4.32! C(o=-4.3!,f=-4.1!) USER MOD Single : A 95 GLN : amide:sc= -6.49! C(o=-6.5!,f=-13!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -60:sc= 0.0958 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -1.74! (180deg=-1.97) USER MOD Single : A 106 THR OG1 : rot 17:sc= -1.42! USER MOD Single : A 109 SER OG : rot 61:sc= 1.1 USER MOD Single : A 112 TYR OH : rot -140:sc= -0.989! USER MOD Single : A 116 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0.936) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.533 -23.674 -16.258 1.00 0.00 N ATOM 2 CA MET A 1 -12.651 -22.502 -16.002 1.00 0.00 C ATOM 3 C MET A 1 -11.235 -22.987 -15.686 1.00 0.00 C ATOM 4 O MET A 1 -11.042 -24.055 -15.139 1.00 0.00 O ATOM 5 CB MET A 1 -13.194 -21.705 -14.812 1.00 0.00 C ATOM 6 CG MET A 1 -14.618 -21.237 -15.119 1.00 0.00 C ATOM 7 SD MET A 1 -14.800 -19.502 -14.634 1.00 0.00 S ATOM 8 CE MET A 1 -14.279 -19.693 -12.912 1.00 0.00 C ATOM 0 H1 MET A 1 -14.356 -23.373 -16.819 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.003 -24.399 -16.782 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.857 -24.069 -15.352 1.00 0.00 H new ATOM 0 HA MET A 1 -12.628 -21.866 -16.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.188 -22.323 -13.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.553 -20.847 -14.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.829 -21.353 -16.182 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.339 -21.854 -14.582 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.784 -18.950 -12.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.539 -20.692 -12.562 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.200 -19.552 -12.840 1.00 0.00 H new ATOM 20 N ASN A 2 -10.241 -22.212 -16.028 1.00 0.00 N ATOM 21 CA ASN A 2 -8.839 -22.631 -15.746 1.00 0.00 C ATOM 22 C ASN A 2 -8.406 -22.080 -14.387 1.00 0.00 C ATOM 23 O ASN A 2 -7.248 -21.782 -14.168 1.00 0.00 O ATOM 24 CB ASN A 2 -7.916 -22.083 -16.836 1.00 0.00 C ATOM 25 CG ASN A 2 -7.328 -23.245 -17.639 1.00 0.00 C ATOM 26 OD1 ASN A 2 -7.601 -24.395 -17.355 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.527 -22.994 -18.638 1.00 0.00 N ATOM 0 H ASN A 2 -10.340 -21.308 -16.490 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.780 -23.719 -15.732 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.471 -21.415 -17.495 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.115 -21.495 -16.387 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.131 -23.762 -19.179 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.297 -22.030 -18.877 1.00 0.00 H new ATOM 34 N GLY A 3 -9.325 -21.941 -13.472 1.00 0.00 N ATOM 35 CA GLY A 3 -8.964 -21.409 -12.126 1.00 0.00 C ATOM 36 C GLY A 3 -9.765 -20.136 -11.848 1.00 0.00 C ATOM 37 O GLY A 3 -10.524 -19.675 -12.676 1.00 0.00 O ATOM 0 H GLY A 3 -10.310 -22.172 -13.597 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.172 -22.156 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.896 -21.196 -12.082 1.00 0.00 H new ATOM 41 N GLU A 4 -9.602 -19.564 -10.686 1.00 0.00 N ATOM 42 CA GLU A 4 -10.354 -18.321 -10.355 1.00 0.00 C ATOM 43 C GLU A 4 -9.895 -17.188 -11.275 1.00 0.00 C ATOM 44 O GLU A 4 -8.738 -17.095 -11.634 1.00 0.00 O ATOM 45 CB GLU A 4 -10.087 -17.936 -8.900 1.00 0.00 C ATOM 46 CG GLU A 4 -11.366 -17.370 -8.277 1.00 0.00 C ATOM 47 CD GLU A 4 -11.977 -18.407 -7.333 1.00 0.00 C ATOM 48 OE1 GLU A 4 -11.372 -18.675 -6.308 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.040 -18.916 -7.651 1.00 0.00 O ATOM 0 H GLU A 4 -8.981 -19.904 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.421 -18.493 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.751 -18.808 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.288 -17.197 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.142 -16.453 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.079 -17.110 -9.059 1.00 0.00 H new ATOM 56 N VAL A 5 -10.795 -16.323 -11.660 1.00 0.00 N ATOM 57 CA VAL A 5 -10.410 -15.196 -12.556 1.00 0.00 C ATOM 58 C VAL A 5 -10.743 -13.867 -11.876 1.00 0.00 C ATOM 59 O VAL A 5 -11.613 -13.139 -12.309 1.00 0.00 O ATOM 60 CB VAL A 5 -11.183 -15.304 -13.871 1.00 0.00 C ATOM 61 CG1 VAL A 5 -12.677 -15.117 -13.603 1.00 0.00 C ATOM 62 CG2 VAL A 5 -10.700 -14.219 -14.836 1.00 0.00 C ATOM 0 H VAL A 5 -11.779 -16.349 -11.393 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.340 -15.242 -12.759 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.013 -16.286 -14.312 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.227 -15.194 -14.541 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.023 -15.889 -12.915 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.847 -14.135 -13.162 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.250 -14.295 -15.774 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.870 -13.237 -14.394 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.635 -14.351 -15.028 1.00 0.00 H new ATOM 72 N ALA A 6 -10.057 -13.546 -10.813 1.00 0.00 N ATOM 73 CA ALA A 6 -10.336 -12.264 -10.107 1.00 0.00 C ATOM 74 C ALA A 6 -11.831 -12.170 -9.789 1.00 0.00 C ATOM 75 O ALA A 6 -12.570 -11.504 -10.487 1.00 0.00 O ATOM 76 CB ALA A 6 -9.929 -11.090 -11.001 1.00 0.00 C ATOM 0 H ALA A 6 -9.316 -14.115 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.765 -12.229 -9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.133 -10.152 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.865 -11.156 -11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.499 -11.125 -11.929 1.00 0.00 H new ATOM 82 N PRO A 7 -12.233 -12.844 -8.740 1.00 0.00 N ATOM 83 CA PRO A 7 -13.625 -12.852 -8.315 1.00 0.00 C ATOM 84 C PRO A 7 -14.004 -11.494 -7.711 1.00 0.00 C ATOM 85 O PRO A 7 -13.162 -10.797 -7.181 1.00 0.00 O ATOM 86 CB PRO A 7 -13.694 -13.950 -7.258 1.00 0.00 C ATOM 87 CG PRO A 7 -12.233 -14.025 -6.713 1.00 0.00 C ATOM 88 CD PRO A 7 -11.317 -13.644 -7.911 1.00 0.00 C ATOM 0 HA PRO A 7 -14.315 -13.030 -9.140 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.404 -13.703 -6.469 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.012 -14.900 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.091 -13.339 -5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.003 -15.025 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.445 -13.072 -7.594 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.947 -14.522 -8.440 1.00 0.00 H new ATOM 96 N PRO A 8 -15.266 -11.160 -7.813 1.00 0.00 N ATOM 97 CA PRO A 8 -15.776 -9.901 -7.288 1.00 0.00 C ATOM 98 C PRO A 8 -15.331 -9.714 -5.834 1.00 0.00 C ATOM 99 O PRO A 8 -14.842 -10.628 -5.202 1.00 0.00 O ATOM 100 CB PRO A 8 -17.293 -10.039 -7.374 1.00 0.00 C ATOM 101 CG PRO A 8 -17.500 -11.077 -8.521 1.00 0.00 C ATOM 102 CD PRO A 8 -16.267 -12.022 -8.461 1.00 0.00 C ATOM 0 HA PRO A 8 -15.409 -9.036 -7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.718 -10.390 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.770 -9.086 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.427 -11.634 -8.383 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.567 -10.582 -9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.469 -12.923 -7.882 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.950 -12.345 -9.452 1.00 0.00 H new ATOM 110 N LYS A 9 -15.496 -8.534 -5.301 1.00 0.00 N ATOM 111 CA LYS A 9 -15.083 -8.289 -3.891 1.00 0.00 C ATOM 112 C LYS A 9 -13.572 -8.494 -3.760 1.00 0.00 C ATOM 113 O LYS A 9 -13.005 -9.395 -4.346 1.00 0.00 O ATOM 114 CB LYS A 9 -15.812 -9.267 -2.968 1.00 0.00 C ATOM 115 CG LYS A 9 -16.203 -8.554 -1.673 1.00 0.00 C ATOM 116 CD LYS A 9 -15.069 -8.685 -0.655 1.00 0.00 C ATOM 117 CE LYS A 9 -14.863 -7.346 0.056 1.00 0.00 C ATOM 118 NZ LYS A 9 -16.074 -7.020 0.861 1.00 0.00 N ATOM 0 H LYS A 9 -15.899 -7.729 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.337 -7.267 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.701 -9.657 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.171 -10.120 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.407 -7.502 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.119 -8.986 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.307 -9.462 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.150 -8.988 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.986 -7.396 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.676 -6.559 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.874 -6.204 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.863 -6.789 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.331 -7.839 1.448 1.00 0.00 H new ATOM 132 N GLU A 10 -12.915 -7.664 -2.996 1.00 0.00 N ATOM 133 CA GLU A 10 -11.442 -7.813 -2.829 1.00 0.00 C ATOM 134 C GLU A 10 -10.951 -6.856 -1.742 1.00 0.00 C ATOM 135 O GLU A 10 -10.949 -5.654 -1.915 1.00 0.00 O ATOM 136 CB GLU A 10 -10.742 -7.483 -4.149 1.00 0.00 C ATOM 137 CG GLU A 10 -10.360 -8.779 -4.864 1.00 0.00 C ATOM 138 CD GLU A 10 -11.193 -8.924 -6.139 1.00 0.00 C ATOM 139 OE1 GLU A 10 -12.176 -8.212 -6.265 1.00 0.00 O ATOM 140 OE2 GLU A 10 -10.835 -9.745 -6.968 1.00 0.00 O ATOM 0 H GLU A 10 -13.335 -6.890 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.213 -8.839 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.399 -6.887 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.851 -6.884 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.298 -8.772 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.529 -9.632 -4.207 1.00 0.00 H new ATOM 147 N ASP A 11 -10.532 -7.379 -0.621 1.00 0.00 N ATOM 148 CA ASP A 11 -10.039 -6.494 0.471 1.00 0.00 C ATOM 149 C ASP A 11 -8.647 -6.957 0.911 1.00 0.00 C ATOM 150 O ASP A 11 -8.474 -7.438 2.014 1.00 0.00 O ATOM 151 CB ASP A 11 -11.002 -6.560 1.660 1.00 0.00 C ATOM 152 CG ASP A 11 -11.126 -5.173 2.293 1.00 0.00 C ATOM 153 OD1 ASP A 11 -11.034 -4.199 1.564 1.00 0.00 O ATOM 154 OD2 ASP A 11 -11.309 -5.108 3.498 1.00 0.00 O ATOM 0 H ASP A 11 -10.510 -8.378 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.983 -5.467 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.980 -6.910 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.639 -7.277 2.397 1.00 0.00 H new ATOM 159 N PRO A 12 -7.695 -6.797 0.027 1.00 0.00 N ATOM 160 CA PRO A 12 -6.322 -7.190 0.291 1.00 0.00 C ATOM 161 C PRO A 12 -5.644 -6.159 1.201 1.00 0.00 C ATOM 162 O PRO A 12 -5.687 -6.262 2.411 1.00 0.00 O ATOM 163 CB PRO A 12 -5.662 -7.214 -1.082 1.00 0.00 C ATOM 164 CG PRO A 12 -6.514 -6.207 -1.923 1.00 0.00 C ATOM 165 CD PRO A 12 -7.941 -6.214 -1.300 1.00 0.00 C ATOM 0 HA PRO A 12 -6.249 -8.152 0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.617 -6.907 -1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.679 -8.213 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.080 -5.208 -1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.546 -6.505 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.361 -5.211 -1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.638 -6.813 -1.885 1.00 0.00 H new ATOM 173 N VAL A 13 -5.020 -5.167 0.628 1.00 0.00 N ATOM 174 CA VAL A 13 -4.344 -4.130 1.456 1.00 0.00 C ATOM 175 C VAL A 13 -4.832 -2.744 1.030 1.00 0.00 C ATOM 176 O VAL A 13 -4.180 -2.073 0.254 1.00 0.00 O ATOM 177 CB VAL A 13 -2.831 -4.219 1.251 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.153 -3.023 1.925 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.306 -5.515 1.872 1.00 0.00 C ATOM 0 H VAL A 13 -4.949 -5.030 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.579 -4.294 2.508 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.610 -4.211 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.075 -3.086 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.525 -2.098 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.376 -3.032 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.228 -5.578 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.528 -5.523 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.787 -6.368 1.394 1.00 0.00 H new ATOM 189 N PRO A 14 -5.967 -2.353 1.552 1.00 0.00 N ATOM 190 CA PRO A 14 -6.549 -1.059 1.237 1.00 0.00 C ATOM 191 C PRO A 14 -5.712 0.058 1.870 1.00 0.00 C ATOM 192 O PRO A 14 -5.373 -0.004 3.035 1.00 0.00 O ATOM 193 CB PRO A 14 -7.945 -1.106 1.854 1.00 0.00 C ATOM 194 CG PRO A 14 -7.805 -2.162 2.993 1.00 0.00 C ATOM 195 CD PRO A 14 -6.737 -3.178 2.494 1.00 0.00 C ATOM 0 HA PRO A 14 -6.583 -0.860 0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.245 -0.133 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.697 -1.402 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.494 -1.693 3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.756 -2.657 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.119 -3.557 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.189 -4.043 2.008 1.00 0.00 H new ATOM 203 N LEU A 15 -5.373 1.082 1.124 1.00 0.00 N ATOM 204 CA LEU A 15 -4.562 2.177 1.726 1.00 0.00 C ATOM 205 C LEU A 15 -5.323 3.510 1.678 1.00 0.00 C ATOM 206 O LEU A 15 -4.791 4.496 1.228 1.00 0.00 O ATOM 207 CB LEU A 15 -3.238 2.323 0.972 1.00 0.00 C ATOM 208 CG LEU A 15 -2.434 1.028 1.097 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.762 0.708 -0.238 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.364 1.200 2.174 1.00 0.00 C ATOM 0 H LEU A 15 -5.619 1.203 0.142 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.366 1.921 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.428 2.546 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.667 3.159 1.377 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.103 0.212 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.190 -0.215 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.523 0.587 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.093 1.523 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.789 0.279 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.698 2.018 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.841 1.427 3.128 1.00 0.00 H new ATOM 222 N PRO A 16 -6.535 3.503 2.170 1.00 0.00 N ATOM 223 CA PRO A 16 -7.352 4.701 2.234 1.00 0.00 C ATOM 224 C PRO A 16 -6.503 5.928 2.605 1.00 0.00 C ATOM 225 O PRO A 16 -6.637 6.983 2.018 1.00 0.00 O ATOM 226 CB PRO A 16 -8.369 4.400 3.325 1.00 0.00 C ATOM 227 CG PRO A 16 -8.483 2.837 3.322 1.00 0.00 C ATOM 228 CD PRO A 16 -7.176 2.287 2.674 1.00 0.00 C ATOM 0 HA PRO A 16 -7.819 4.936 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.037 4.773 4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.330 4.870 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.600 2.457 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.358 2.515 2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.550 1.770 3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.387 1.578 1.873 1.00 0.00 H new ATOM 236 N GLU A 17 -5.640 5.802 3.580 1.00 0.00 N ATOM 237 CA GLU A 17 -4.791 6.964 3.992 1.00 0.00 C ATOM 238 C GLU A 17 -4.284 7.707 2.750 1.00 0.00 C ATOM 239 O GLU A 17 -4.335 8.918 2.672 1.00 0.00 O ATOM 240 CB GLU A 17 -3.598 6.460 4.805 1.00 0.00 C ATOM 241 CG GLU A 17 -3.365 7.387 5.999 1.00 0.00 C ATOM 242 CD GLU A 17 -3.069 8.802 5.498 1.00 0.00 C ATOM 243 OE1 GLU A 17 -4.011 9.498 5.159 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.904 9.164 5.460 1.00 0.00 O ATOM 0 H GLU A 17 -5.485 4.944 4.110 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.387 7.645 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.784 5.443 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.706 6.425 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.244 7.395 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.532 7.021 6.600 1.00 0.00 H new ATOM 251 N LEU A 18 -3.792 6.984 1.785 1.00 0.00 N ATOM 252 CA LEU A 18 -3.272 7.628 0.546 1.00 0.00 C ATOM 253 C LEU A 18 -4.429 7.816 -0.449 1.00 0.00 C ATOM 254 O LEU A 18 -5.181 6.894 -0.694 1.00 0.00 O ATOM 255 CB LEU A 18 -2.224 6.708 -0.084 1.00 0.00 C ATOM 256 CG LEU A 18 -0.895 7.448 -0.217 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.131 6.822 0.729 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.395 7.327 -1.658 1.00 0.00 C ATOM 0 H LEU A 18 -3.727 5.966 1.801 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.830 8.595 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.094 5.817 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.563 6.373 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.032 8.499 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.081 7.349 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.227 6.898 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.271 5.772 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.554 7.854 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.255 6.275 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.128 7.766 -2.335 1.00 0.00 H new ATOM 270 N PRO A 19 -4.541 9.007 -0.990 1.00 0.00 N ATOM 271 CA PRO A 19 -5.598 9.322 -1.943 1.00 0.00 C ATOM 272 C PRO A 19 -5.321 8.660 -3.296 1.00 0.00 C ATOM 273 O PRO A 19 -4.215 8.247 -3.583 1.00 0.00 O ATOM 274 CB PRO A 19 -5.552 10.840 -2.071 1.00 0.00 C ATOM 275 CG PRO A 19 -4.076 11.193 -1.710 1.00 0.00 C ATOM 276 CD PRO A 19 -3.624 10.115 -0.683 1.00 0.00 C ATOM 0 HA PRO A 19 -6.573 8.960 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.807 11.165 -3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.257 11.321 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.442 11.179 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.006 12.194 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.580 9.832 -0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.729 10.460 0.346 1.00 0.00 H new ATOM 284 N CYS A 20 -6.322 8.556 -4.130 1.00 0.00 N ATOM 285 CA CYS A 20 -6.122 7.924 -5.465 1.00 0.00 C ATOM 286 C CYS A 20 -6.282 8.977 -6.564 1.00 0.00 C ATOM 287 O CYS A 20 -5.315 9.471 -7.110 1.00 0.00 O ATOM 288 CB CYS A 20 -7.162 6.821 -5.666 1.00 0.00 C ATOM 289 SG CYS A 20 -6.322 5.274 -6.093 1.00 0.00 S ATOM 0 H CYS A 20 -7.270 8.882 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.120 7.498 -5.515 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.750 6.690 -4.757 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.857 7.101 -6.458 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.781 4.311 -5.350 1.00 0.00 H new ATOM 295 N GLU A 21 -7.497 9.322 -6.897 1.00 0.00 N ATOM 296 CA GLU A 21 -7.717 10.339 -7.966 1.00 0.00 C ATOM 297 C GLU A 21 -8.027 11.694 -7.327 1.00 0.00 C ATOM 298 O GLU A 21 -8.907 12.410 -7.762 1.00 0.00 O ATOM 299 CB GLU A 21 -8.895 9.908 -8.844 1.00 0.00 C ATOM 300 CG GLU A 21 -8.516 10.067 -10.319 1.00 0.00 C ATOM 301 CD GLU A 21 -9.787 10.163 -11.165 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.742 9.475 -10.845 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.783 10.923 -12.119 1.00 0.00 O ATOM 0 H GLU A 21 -8.346 8.944 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.818 10.423 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.158 8.871 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.773 10.512 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.908 10.961 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.913 9.219 -10.644 1.00 0.00 H new ATOM 310 N LYS A 22 -7.310 12.053 -6.296 1.00 0.00 N ATOM 311 CA LYS A 22 -7.565 13.363 -5.632 1.00 0.00 C ATOM 312 C LYS A 22 -9.035 13.441 -5.214 1.00 0.00 C ATOM 313 O LYS A 22 -9.594 14.509 -5.067 1.00 0.00 O ATOM 314 CB LYS A 22 -7.252 14.499 -6.608 1.00 0.00 C ATOM 315 CG LYS A 22 -6.052 14.111 -7.474 1.00 0.00 C ATOM 316 CD LYS A 22 -5.027 15.247 -7.466 1.00 0.00 C ATOM 317 CE LYS A 22 -4.410 15.390 -8.858 1.00 0.00 C ATOM 318 NZ LYS A 22 -2.928 15.270 -8.759 1.00 0.00 N ATOM 0 H LYS A 22 -6.560 11.496 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.929 13.456 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.118 14.701 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.037 15.416 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.598 13.195 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.377 13.908 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.506 16.181 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.248 15.043 -6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.804 14.621 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.680 16.354 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.508 15.367 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.560 16.019 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.681 14.340 -8.364 1.00 0.00 H new ATOM 332 N SER A 23 -9.663 12.314 -5.022 1.00 0.00 N ATOM 333 CA SER A 23 -11.097 12.318 -4.613 1.00 0.00 C ATOM 334 C SER A 23 -11.271 11.448 -3.369 1.00 0.00 C ATOM 335 O SER A 23 -10.331 11.190 -2.644 1.00 0.00 O ATOM 336 CB SER A 23 -11.948 11.753 -5.750 1.00 0.00 C ATOM 337 OG SER A 23 -13.007 12.659 -6.039 1.00 0.00 O ATOM 0 H SER A 23 -9.246 11.390 -5.131 1.00 0.00 H new ATOM 0 HA SER A 23 -11.412 13.338 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.334 11.598 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.352 10.781 -5.469 1.00 0.00 H new ATOM 0 HG SER A 23 -13.554 12.301 -6.769 1.00 0.00 H new ATOM 343 N ASP A 24 -12.465 10.985 -3.118 1.00 0.00 N ATOM 344 CA ASP A 24 -12.689 10.122 -1.926 1.00 0.00 C ATOM 345 C ASP A 24 -12.104 8.738 -2.199 1.00 0.00 C ATOM 346 O ASP A 24 -12.093 7.875 -1.343 1.00 0.00 O ATOM 347 CB ASP A 24 -14.190 9.999 -1.653 1.00 0.00 C ATOM 348 CG ASP A 24 -14.558 10.840 -0.428 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.730 12.037 -0.585 1.00 0.00 O ATOM 350 OD2 ASP A 24 -14.660 10.271 0.646 1.00 0.00 O ATOM 0 H ASP A 24 -13.293 11.167 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.203 10.564 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.757 10.335 -2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.455 8.955 -1.484 1.00 0.00 H new ATOM 355 N ALA A 25 -11.616 8.520 -3.390 1.00 0.00 N ATOM 356 CA ALA A 25 -11.030 7.197 -3.724 1.00 0.00 C ATOM 357 C ALA A 25 -9.626 7.100 -3.127 1.00 0.00 C ATOM 358 O ALA A 25 -9.003 8.098 -2.823 1.00 0.00 O ATOM 359 CB ALA A 25 -10.946 7.047 -5.245 1.00 0.00 C ATOM 0 H ALA A 25 -11.599 9.205 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.658 6.406 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.516 6.076 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.945 7.121 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.317 7.837 -5.654 1.00 0.00 H new ATOM 365 N TYR A 26 -9.121 5.911 -2.958 1.00 0.00 N ATOM 366 CA TYR A 26 -7.757 5.766 -2.384 1.00 0.00 C ATOM 367 C TYR A 26 -6.995 4.680 -3.141 1.00 0.00 C ATOM 368 O TYR A 26 -7.412 4.236 -4.193 1.00 0.00 O ATOM 369 CB TYR A 26 -7.854 5.395 -0.907 1.00 0.00 C ATOM 370 CG TYR A 26 -8.998 4.433 -0.686 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.320 4.874 -0.816 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.736 3.102 -0.339 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.379 3.984 -0.601 1.00 0.00 C ATOM 374 CE2 TYR A 26 -9.795 2.213 -0.123 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.116 2.653 -0.255 1.00 0.00 C ATOM 376 OH TYR A 26 -12.160 1.776 -0.043 1.00 0.00 O ATOM 0 H TYR A 26 -9.592 5.037 -3.192 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.225 6.712 -2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.919 4.942 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.003 6.293 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.523 5.901 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.716 2.761 -0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.399 4.324 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.592 1.187 0.146 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.804 0.893 0.188 1.00 0.00 H new ATOM 386 N PHE A 27 -5.871 4.259 -2.629 1.00 0.00 N ATOM 387 CA PHE A 27 -5.078 3.220 -3.342 1.00 0.00 C ATOM 388 C PHE A 27 -5.091 1.896 -2.570 1.00 0.00 C ATOM 389 O PHE A 27 -4.263 1.650 -1.718 1.00 0.00 O ATOM 390 CB PHE A 27 -3.636 3.706 -3.493 1.00 0.00 C ATOM 391 CG PHE A 27 -3.398 4.127 -4.922 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.876 3.334 -5.972 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.704 5.310 -5.198 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.660 3.725 -7.298 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.488 5.701 -6.525 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.967 4.907 -7.575 1.00 0.00 C ATOM 0 H PHE A 27 -5.469 4.588 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.524 3.052 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.450 4.543 -2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.942 2.913 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.411 2.421 -5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.335 5.921 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.029 3.113 -8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.952 6.614 -6.739 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.801 5.208 -8.599 1.00 0.00 H new ATOM 406 N VAL A 28 -6.014 1.029 -2.873 1.00 0.00 N ATOM 407 CA VAL A 28 -6.054 -0.281 -2.173 1.00 0.00 C ATOM 408 C VAL A 28 -5.025 -1.217 -2.813 1.00 0.00 C ATOM 409 O VAL A 28 -5.303 -1.895 -3.782 1.00 0.00 O ATOM 410 CB VAL A 28 -7.454 -0.890 -2.297 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.412 -2.367 -1.898 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.415 -0.141 -1.371 1.00 0.00 C ATOM 0 H VAL A 28 -6.741 1.171 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.820 -0.143 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.796 -0.805 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.410 -2.797 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.726 -2.902 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.070 -2.456 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.413 -0.572 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.069 -0.228 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.448 0.911 -1.655 1.00 0.00 H new ATOM 422 N LEU A 29 -3.835 -1.249 -2.280 1.00 0.00 N ATOM 423 CA LEU A 29 -2.778 -2.130 -2.854 1.00 0.00 C ATOM 424 C LEU A 29 -3.346 -3.526 -3.114 1.00 0.00 C ATOM 425 O LEU A 29 -3.929 -4.146 -2.247 1.00 0.00 O ATOM 426 CB LEU A 29 -1.609 -2.230 -1.871 1.00 0.00 C ATOM 427 CG LEU A 29 -0.567 -3.211 -2.409 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.504 -2.444 -3.186 1.00 0.00 C ATOM 429 CD2 LEU A 29 0.086 -3.953 -1.240 1.00 0.00 C ATOM 0 H LEU A 29 -3.548 -0.701 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.430 -1.705 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.158 -1.248 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.968 -2.563 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.052 -3.928 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.247 -3.144 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.040 -1.915 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.989 -1.726 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.829 -4.653 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.571 -3.235 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.676 -4.500 -0.685 1.00 0.00 H new ATOM 441 N ARG A 30 -3.168 -4.028 -4.305 1.00 0.00 N ATOM 442 CA ARG A 30 -3.683 -5.386 -4.632 1.00 0.00 C ATOM 443 C ARG A 30 -2.544 -6.222 -5.219 1.00 0.00 C ATOM 444 O ARG A 30 -1.411 -5.787 -5.278 1.00 0.00 O ATOM 445 CB ARG A 30 -4.814 -5.271 -5.656 1.00 0.00 C ATOM 446 CG ARG A 30 -6.163 -5.362 -4.940 1.00 0.00 C ATOM 447 CD ARG A 30 -7.195 -4.513 -5.683 1.00 0.00 C ATOM 448 NE ARG A 30 -7.266 -4.948 -7.106 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.412 -4.951 -7.732 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.384 -4.187 -7.314 1.00 0.00 N ATOM 451 NH2 ARG A 30 -8.586 -5.717 -8.773 1.00 0.00 N ATOM 0 H ARG A 30 -2.686 -3.553 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.063 -5.864 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.738 -4.325 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.730 -6.066 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.494 -6.400 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.064 -5.015 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.172 -4.615 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.922 -3.459 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.419 -5.244 -7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.248 -3.589 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.280 -4.188 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.826 -6.315 -9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.482 -5.718 -9.261 1.00 0.00 H new ATOM 465 N ASP A 31 -2.831 -7.417 -5.655 1.00 0.00 N ATOM 466 CA ASP A 31 -1.758 -8.272 -6.236 1.00 0.00 C ATOM 467 C ASP A 31 -2.332 -9.102 -7.386 1.00 0.00 C ATOM 468 O ASP A 31 -2.965 -10.118 -7.177 1.00 0.00 O ATOM 469 CB ASP A 31 -1.205 -9.203 -5.155 1.00 0.00 C ATOM 470 CG ASP A 31 -2.305 -10.161 -4.693 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.461 -9.777 -4.751 1.00 0.00 O ATOM 472 OD2 ASP A 31 -1.971 -11.262 -4.288 1.00 0.00 O ATOM 0 H ASP A 31 -3.760 -7.838 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.954 -7.640 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.357 -9.767 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.838 -8.619 -4.311 1.00 0.00 H new ATOM 477 N GLY A 32 -2.117 -8.675 -8.601 1.00 0.00 N ATOM 478 CA GLY A 32 -2.649 -9.439 -9.764 1.00 0.00 C ATOM 479 C GLY A 32 -2.239 -8.744 -11.064 1.00 0.00 C ATOM 480 O GLY A 32 -2.016 -9.381 -12.075 1.00 0.00 O ATOM 0 H GLY A 32 -1.596 -7.831 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.265 -10.459 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.735 -9.506 -9.702 1.00 0.00 H new ATOM 484 N ALA A 33 -2.136 -7.443 -11.046 1.00 0.00 N ATOM 485 CA ALA A 33 -1.740 -6.711 -12.282 1.00 0.00 C ATOM 486 C ALA A 33 -0.246 -6.913 -12.541 1.00 0.00 C ATOM 487 O ALA A 33 0.574 -6.094 -12.176 1.00 0.00 O ATOM 488 CB ALA A 33 -2.029 -5.218 -12.105 1.00 0.00 C ATOM 0 H ALA A 33 -2.309 -6.856 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.310 -7.095 -13.128 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.740 -4.682 -13.009 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.094 -5.073 -11.922 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.460 -4.835 -11.258 1.00 0.00 H new ATOM 494 N ALA A 34 0.115 -7.999 -13.168 1.00 0.00 N ATOM 495 CA ALA A 34 1.557 -8.252 -13.449 1.00 0.00 C ATOM 496 C ALA A 34 2.373 -8.031 -12.174 1.00 0.00 C ATOM 497 O ALA A 34 3.336 -7.289 -12.163 1.00 0.00 O ATOM 498 CB ALA A 34 2.040 -7.292 -14.538 1.00 0.00 C ATOM 0 H ALA A 34 -0.525 -8.721 -13.498 1.00 0.00 H new ATOM 0 HA ALA A 34 1.686 -9.280 -13.788 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.094 -7.476 -14.744 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.459 -7.451 -15.447 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.911 -6.264 -14.200 1.00 0.00 H new ATOM 504 N GLY A 35 1.996 -8.668 -11.099 1.00 0.00 N ATOM 505 CA GLY A 35 2.752 -8.492 -9.827 1.00 0.00 C ATOM 506 C GLY A 35 1.925 -7.652 -8.852 1.00 0.00 C ATOM 507 O GLY A 35 0.723 -7.534 -8.983 1.00 0.00 O ATOM 0 H GLY A 35 1.198 -9.302 -11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.975 -9.464 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.707 -8.004 -10.024 1.00 0.00 H new ATOM 511 N VAL A 36 2.560 -7.066 -7.873 1.00 0.00 N ATOM 512 CA VAL A 36 1.811 -6.233 -6.891 1.00 0.00 C ATOM 513 C VAL A 36 1.615 -4.826 -7.458 1.00 0.00 C ATOM 514 O VAL A 36 2.256 -4.438 -8.414 1.00 0.00 O ATOM 515 CB VAL A 36 2.602 -6.150 -5.585 1.00 0.00 C ATOM 516 CG1 VAL A 36 3.046 -7.552 -5.165 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.835 -5.269 -5.792 1.00 0.00 C ATOM 0 H VAL A 36 3.565 -7.129 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 36 0.838 -6.686 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 36 1.971 -5.720 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.610 -7.492 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.169 -8.183 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.676 -7.983 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.400 -5.209 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.464 -5.700 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.521 -4.269 -6.091 1.00 0.00 H new ATOM 527 N PHE A 37 0.734 -4.059 -6.877 1.00 0.00 N ATOM 528 CA PHE A 37 0.500 -2.678 -7.384 1.00 0.00 C ATOM 529 C PHE A 37 -0.554 -1.988 -6.515 1.00 0.00 C ATOM 530 O PHE A 37 -0.929 -2.478 -5.470 1.00 0.00 O ATOM 531 CB PHE A 37 0.014 -2.742 -8.835 1.00 0.00 C ATOM 532 CG PHE A 37 -1.430 -3.186 -8.872 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.771 -4.496 -8.510 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.427 -2.287 -9.267 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.110 -4.904 -8.544 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.765 -2.696 -9.300 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.107 -4.005 -8.938 1.00 0.00 C ATOM 0 H PHE A 37 0.166 -4.329 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 37 1.430 -2.111 -7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.116 -1.764 -9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.632 -3.436 -9.405 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.002 -5.190 -8.205 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.164 -1.277 -9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.373 -5.914 -8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.534 -2.002 -9.605 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.140 -4.320 -8.963 1.00 0.00 H new ATOM 547 N LEU A 38 -1.032 -0.852 -6.941 1.00 0.00 N ATOM 548 CA LEU A 38 -2.061 -0.131 -6.141 1.00 0.00 C ATOM 549 C LEU A 38 -3.178 0.357 -7.065 1.00 0.00 C ATOM 550 O LEU A 38 -3.006 1.293 -7.820 1.00 0.00 O ATOM 551 CB LEU A 38 -1.420 1.071 -5.443 1.00 0.00 C ATOM 552 CG LEU A 38 -0.040 0.681 -4.912 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.041 1.297 -5.803 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.121 1.203 -3.483 1.00 0.00 C ATOM 0 H LEU A 38 -0.755 -0.392 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.475 -0.808 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.330 1.904 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.054 1.409 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 38 0.059 -0.405 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.025 1.020 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.926 0.928 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.943 2.383 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.104 0.926 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.023 2.289 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.650 0.767 -2.847 1.00 0.00 H new ATOM 566 N ALA A 39 -4.323 -0.266 -7.010 1.00 0.00 N ATOM 567 CA ALA A 39 -5.447 0.172 -7.884 1.00 0.00 C ATOM 568 C ALA A 39 -6.359 1.115 -7.101 1.00 0.00 C ATOM 569 O ALA A 39 -6.475 1.027 -5.891 1.00 0.00 O ATOM 570 CB ALA A 39 -6.255 -1.043 -8.342 1.00 0.00 C ATOM 0 H ALA A 39 -4.528 -1.057 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.043 0.686 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.075 -0.715 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.609 -1.720 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.658 -1.561 -7.472 1.00 0.00 H new ATOM 576 N ALA A 40 -7.013 2.014 -7.780 1.00 0.00 N ATOM 577 CA ALA A 40 -7.921 2.959 -7.079 1.00 0.00 C ATOM 578 C ALA A 40 -9.174 2.204 -6.629 1.00 0.00 C ATOM 579 O ALA A 40 -9.682 1.352 -7.330 1.00 0.00 O ATOM 580 CB ALA A 40 -8.311 4.088 -8.034 1.00 0.00 C ATOM 0 H ALA A 40 -6.957 2.135 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.419 3.383 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.977 4.783 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.414 4.616 -8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.820 3.670 -8.903 1.00 0.00 H new ATOM 586 N ASN A 41 -9.670 2.501 -5.460 1.00 0.00 N ATOM 587 CA ASN A 41 -10.883 1.790 -4.963 1.00 0.00 C ATOM 588 C ASN A 41 -12.088 2.134 -5.847 1.00 0.00 C ATOM 589 O ASN A 41 -12.985 1.334 -6.028 1.00 0.00 O ATOM 590 CB ASN A 41 -11.167 2.209 -3.516 1.00 0.00 C ATOM 591 CG ASN A 41 -11.850 3.579 -3.493 1.00 0.00 C ATOM 592 OD1 ASN A 41 -11.406 4.501 -4.147 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.920 3.750 -2.766 1.00 0.00 N ATOM 0 H ASN A 41 -9.289 3.204 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.709 0.715 -5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.803 1.468 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.236 2.248 -2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.384 4.658 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.293 2.975 -2.217 1.00 0.00 H new ATOM 600 N THR A 42 -12.119 3.319 -6.393 1.00 0.00 N ATOM 601 CA THR A 42 -13.272 3.711 -7.254 1.00 0.00 C ATOM 602 C THR A 42 -13.160 3.030 -8.619 1.00 0.00 C ATOM 603 O THR A 42 -13.995 3.224 -9.477 1.00 0.00 O ATOM 604 CB THR A 42 -13.277 5.230 -7.443 1.00 0.00 C ATOM 605 OG1 THR A 42 -12.011 5.652 -7.930 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.568 5.911 -6.105 1.00 0.00 C ATOM 0 H THR A 42 -11.398 4.032 -6.281 1.00 0.00 H new ATOM 0 HA THR A 42 -14.198 3.399 -6.772 1.00 0.00 H new ATOM 0 HB THR A 42 -14.049 5.504 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.459 4.867 -8.130 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.571 6.993 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.542 5.588 -5.737 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.798 5.638 -5.383 1.00 0.00 H new ATOM 614 N PHE A 43 -12.138 2.235 -8.820 1.00 0.00 N ATOM 615 CA PHE A 43 -11.960 1.529 -10.130 1.00 0.00 C ATOM 616 C PHE A 43 -13.330 1.121 -10.689 1.00 0.00 C ATOM 617 O PHE A 43 -14.214 0.760 -9.938 1.00 0.00 O ATOM 618 CB PHE A 43 -11.107 0.277 -9.905 1.00 0.00 C ATOM 619 CG PHE A 43 -11.148 -0.597 -11.136 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.275 -1.386 -11.399 1.00 0.00 C ATOM 621 CD2 PHE A 43 -10.059 -0.618 -12.016 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.312 -2.195 -12.542 1.00 0.00 C ATOM 623 CE2 PHE A 43 -10.096 -1.427 -13.158 1.00 0.00 C ATOM 624 CZ PHE A 43 -11.222 -2.216 -13.421 1.00 0.00 C ATOM 0 H PHE A 43 -11.413 2.043 -8.128 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.468 2.192 -10.841 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.078 0.561 -9.684 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.477 -0.277 -9.042 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -13.115 -1.371 -10.721 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.190 -0.010 -11.814 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -13.181 -2.803 -12.745 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.256 -1.442 -13.836 1.00 0.00 H new ATOM 0 HZ PHE A 43 -11.250 -2.841 -14.302 1.00 0.00 H new ATOM 634 N PRO A 44 -13.468 1.182 -11.992 1.00 0.00 N ATOM 635 CA PRO A 44 -12.403 1.616 -12.890 1.00 0.00 C ATOM 636 C PRO A 44 -12.258 3.143 -12.873 1.00 0.00 C ATOM 637 O PRO A 44 -11.449 3.698 -13.589 1.00 0.00 O ATOM 638 CB PRO A 44 -12.860 1.150 -14.266 1.00 0.00 C ATOM 639 CG PRO A 44 -14.417 1.126 -14.143 1.00 0.00 C ATOM 640 CD PRO A 44 -14.725 0.802 -12.652 1.00 0.00 C ATOM 0 HA PRO A 44 -11.433 1.210 -12.603 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.530 1.831 -15.051 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.461 0.165 -14.509 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.846 2.086 -14.430 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.849 0.374 -14.803 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.573 1.375 -12.276 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.962 -0.252 -12.504 1.00 0.00 H new ATOM 648 N LYS A 45 -13.037 3.820 -12.068 1.00 0.00 N ATOM 649 CA LYS A 45 -12.949 5.307 -12.003 1.00 0.00 C ATOM 650 C LYS A 45 -11.482 5.734 -12.096 1.00 0.00 C ATOM 651 O LYS A 45 -11.046 6.283 -13.088 1.00 0.00 O ATOM 652 CB LYS A 45 -13.547 5.787 -10.676 1.00 0.00 C ATOM 653 CG LYS A 45 -13.087 7.216 -10.386 1.00 0.00 C ATOM 654 CD LYS A 45 -13.777 7.732 -9.122 1.00 0.00 C ATOM 655 CE LYS A 45 -14.203 9.186 -9.329 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.179 9.573 -8.271 1.00 0.00 N ATOM 0 H LYS A 45 -13.733 3.403 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.503 5.748 -12.832 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.635 5.748 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.238 5.125 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.005 7.241 -10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.323 7.863 -11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.647 7.116 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.101 7.658 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.332 9.840 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.652 9.308 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.469 10.562 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.014 8.956 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.736 9.472 -7.336 1.00 0.00 H new ATOM 670 N SER A 46 -10.716 5.472 -11.077 1.00 0.00 N ATOM 671 CA SER A 46 -9.278 5.849 -11.114 1.00 0.00 C ATOM 672 C SER A 46 -8.455 4.614 -11.481 1.00 0.00 C ATOM 673 O SER A 46 -8.175 3.772 -10.651 1.00 0.00 O ATOM 674 CB SER A 46 -8.846 6.369 -9.742 1.00 0.00 C ATOM 675 OG SER A 46 -9.832 6.021 -8.777 1.00 0.00 O ATOM 0 H SER A 46 -11.023 5.013 -10.220 1.00 0.00 H new ATOM 0 HA SER A 46 -9.119 6.633 -11.855 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.882 5.942 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.717 7.451 -9.774 1.00 0.00 H new ATOM 0 HG SER A 46 -10.655 6.522 -8.955 1.00 0.00 H new ATOM 681 N ARG A 47 -8.076 4.491 -12.723 1.00 0.00 N ATOM 682 CA ARG A 47 -7.284 3.302 -13.144 1.00 0.00 C ATOM 683 C ARG A 47 -5.794 3.592 -12.973 1.00 0.00 C ATOM 684 O ARG A 47 -4.986 3.276 -13.824 1.00 0.00 O ATOM 685 CB ARG A 47 -7.577 2.986 -14.613 1.00 0.00 C ATOM 686 CG ARG A 47 -8.459 1.740 -14.701 1.00 0.00 C ATOM 687 CD ARG A 47 -9.100 1.663 -16.088 1.00 0.00 C ATOM 688 NE ARG A 47 -9.462 0.250 -16.391 1.00 0.00 N ATOM 689 CZ ARG A 47 -9.859 -0.080 -17.590 1.00 0.00 C ATOM 690 NH1 ARG A 47 -11.063 0.226 -17.986 1.00 0.00 N ATOM 691 NH2 ARG A 47 -9.050 -0.717 -18.391 1.00 0.00 N ATOM 0 H ARG A 47 -8.280 5.162 -13.464 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.560 2.447 -12.526 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.076 3.832 -15.085 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.645 2.824 -15.154 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.863 0.846 -14.514 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.232 1.774 -13.933 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.989 2.293 -16.125 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.409 2.042 -16.841 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.400 -0.460 -15.661 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.695 0.723 -17.359 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.373 -0.032 -18.923 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.109 -0.957 -18.080 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.359 -0.975 -19.328 1.00 0.00 H new ATOM 705 N GLU A 48 -5.420 4.185 -11.872 1.00 0.00 N ATOM 706 CA GLU A 48 -3.981 4.487 -11.643 1.00 0.00 C ATOM 707 C GLU A 48 -3.306 3.261 -11.023 1.00 0.00 C ATOM 708 O GLU A 48 -2.843 3.295 -9.900 1.00 0.00 O ATOM 709 CB GLU A 48 -3.854 5.680 -10.693 1.00 0.00 C ATOM 710 CG GLU A 48 -4.600 6.881 -11.279 1.00 0.00 C ATOM 711 CD GLU A 48 -5.575 7.434 -10.237 1.00 0.00 C ATOM 712 OE1 GLU A 48 -5.935 6.691 -9.339 1.00 0.00 O ATOM 713 OE2 GLU A 48 -5.944 8.591 -10.357 1.00 0.00 O ATOM 0 H GLU A 48 -6.049 4.473 -11.123 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.500 4.731 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.264 5.425 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.803 5.929 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.891 7.654 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.141 6.584 -12.177 1.00 0.00 H new ATOM 720 N THR A 49 -3.256 2.176 -11.745 1.00 0.00 N ATOM 721 CA THR A 49 -2.621 0.943 -11.200 1.00 0.00 C ATOM 722 C THR A 49 -1.130 0.930 -11.544 1.00 0.00 C ATOM 723 O THR A 49 -0.720 1.392 -12.590 1.00 0.00 O ATOM 724 CB THR A 49 -3.296 -0.288 -11.812 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.668 -0.604 -13.046 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.778 0.005 -12.052 1.00 0.00 C ATOM 0 H THR A 49 -3.628 2.090 -12.691 1.00 0.00 H new ATOM 0 HA THR A 49 -2.739 0.926 -10.116 1.00 0.00 H new ATOM 0 HB THR A 49 -3.202 -1.132 -11.128 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.097 -1.393 -13.439 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.256 -0.872 -12.488 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.259 0.248 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.876 0.849 -12.735 1.00 0.00 H new ATOM 734 N ARG A 50 -0.320 0.398 -10.671 1.00 0.00 N ATOM 735 CA ARG A 50 1.145 0.346 -10.939 1.00 0.00 C ATOM 736 C ARG A 50 1.881 -0.013 -9.647 1.00 0.00 C ATOM 737 O ARG A 50 1.315 0.011 -8.573 1.00 0.00 O ATOM 738 CB ARG A 50 1.627 1.713 -11.433 1.00 0.00 C ATOM 739 CG ARG A 50 2.290 1.555 -12.802 1.00 0.00 C ATOM 740 CD ARG A 50 2.079 2.830 -13.621 1.00 0.00 C ATOM 741 NE ARG A 50 2.673 3.990 -12.898 1.00 0.00 N ATOM 742 CZ ARG A 50 3.050 5.048 -13.561 1.00 0.00 C ATOM 743 NH1 ARG A 50 4.236 5.088 -14.106 1.00 0.00 N ATOM 744 NH2 ARG A 50 2.244 6.066 -13.681 1.00 0.00 N ATOM 0 H ARG A 50 -0.611 -0.005 -9.780 1.00 0.00 H new ATOM 0 HA ARG A 50 1.348 -0.406 -11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.787 2.404 -11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.334 2.140 -10.722 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.356 1.360 -12.682 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.866 0.699 -13.327 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.541 2.725 -14.603 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.015 2.997 -13.786 1.00 0.00 H new ATOM 0 HE ARG A 50 2.785 3.956 -11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.867 4.292 -14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.531 5.915 -14.625 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.317 6.036 -13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.540 6.893 -14.200 1.00 0.00 H new ATOM 758 N ALA A 51 3.141 -0.343 -9.740 1.00 0.00 N ATOM 759 CA ALA A 51 3.904 -0.698 -8.512 1.00 0.00 C ATOM 760 C ALA A 51 4.035 0.546 -7.626 1.00 0.00 C ATOM 761 O ALA A 51 4.124 1.650 -8.124 1.00 0.00 O ATOM 762 CB ALA A 51 5.290 -1.208 -8.897 1.00 0.00 C ATOM 0 H ALA A 51 3.672 -0.382 -10.610 1.00 0.00 H new ATOM 0 HA ALA A 51 3.378 -1.481 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.846 -1.467 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.190 -2.091 -9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.825 -0.431 -9.442 1.00 0.00 H new ATOM 768 N PRO A 52 4.019 0.332 -6.334 1.00 0.00 N ATOM 769 CA PRO A 52 4.107 1.419 -5.371 1.00 0.00 C ATOM 770 C PRO A 52 5.557 1.879 -5.166 1.00 0.00 C ATOM 771 O PRO A 52 6.466 1.079 -5.052 1.00 0.00 O ATOM 772 CB PRO A 52 3.571 0.812 -4.081 1.00 0.00 C ATOM 773 CG PRO A 52 3.895 -0.710 -4.225 1.00 0.00 C ATOM 774 CD PRO A 52 3.901 -1.015 -5.752 1.00 0.00 C ATOM 0 HA PRO A 52 3.554 2.298 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.055 1.243 -3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.500 0.985 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.861 -0.946 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.149 -1.316 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.735 -1.657 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.988 -1.518 -6.071 1.00 0.00 H new ATOM 782 N LEU A 53 5.769 3.166 -5.088 1.00 0.00 N ATOM 783 CA LEU A 53 7.142 3.690 -4.850 1.00 0.00 C ATOM 784 C LEU A 53 7.795 2.858 -3.744 1.00 0.00 C ATOM 785 O LEU A 53 7.136 2.422 -2.821 1.00 0.00 O ATOM 786 CB LEU A 53 7.050 5.144 -4.399 1.00 0.00 C ATOM 787 CG LEU A 53 8.035 5.988 -5.204 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.435 5.389 -5.096 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.610 6.017 -6.672 1.00 0.00 C ATOM 0 H LEU A 53 5.045 3.879 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 53 7.733 3.629 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.035 5.516 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.273 5.221 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 53 8.042 7.003 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.135 5.994 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.744 5.372 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.427 4.372 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.316 6.620 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.598 5.001 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.613 6.450 -6.754 1.00 0.00 H new ATOM 801 N VAL A 54 9.076 2.633 -3.815 1.00 0.00 N ATOM 802 CA VAL A 54 9.741 1.832 -2.753 1.00 0.00 C ATOM 803 C VAL A 54 9.617 2.577 -1.424 1.00 0.00 C ATOM 804 O VAL A 54 9.369 1.988 -0.389 1.00 0.00 O ATOM 805 CB VAL A 54 11.216 1.642 -3.107 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.855 0.663 -2.123 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.332 1.079 -4.526 1.00 0.00 C ATOM 0 H VAL A 54 9.689 2.967 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 54 9.267 0.854 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 54 11.728 2.603 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.907 0.528 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.773 1.059 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.342 -0.297 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.384 0.943 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.819 0.119 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.876 1.774 -5.231 1.00 0.00 H new ATOM 817 N GLU A 55 9.775 3.872 -1.446 1.00 0.00 N ATOM 818 CA GLU A 55 9.651 4.656 -0.188 1.00 0.00 C ATOM 819 C GLU A 55 8.198 4.615 0.279 1.00 0.00 C ATOM 820 O GLU A 55 7.910 4.727 1.453 1.00 0.00 O ATOM 821 CB GLU A 55 10.068 6.107 -0.443 1.00 0.00 C ATOM 822 CG GLU A 55 9.098 6.748 -1.438 1.00 0.00 C ATOM 823 CD GLU A 55 9.255 8.270 -1.397 1.00 0.00 C ATOM 824 OE1 GLU A 55 10.306 8.726 -0.975 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.323 8.953 -1.787 1.00 0.00 O ATOM 0 H GLU A 55 9.984 4.419 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 55 10.298 4.229 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.069 6.666 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.084 6.141 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.296 6.378 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.073 6.471 -1.192 1.00 0.00 H new ATOM 832 N GLU A 56 7.278 4.441 -0.632 1.00 0.00 N ATOM 833 CA GLU A 56 5.845 4.375 -0.234 1.00 0.00 C ATOM 834 C GLU A 56 5.607 3.053 0.491 1.00 0.00 C ATOM 835 O GLU A 56 4.906 2.990 1.482 1.00 0.00 O ATOM 836 CB GLU A 56 4.962 4.444 -1.482 1.00 0.00 C ATOM 837 CG GLU A 56 4.313 5.827 -1.574 1.00 0.00 C ATOM 838 CD GLU A 56 3.660 5.995 -2.947 1.00 0.00 C ATOM 839 OE1 GLU A 56 3.728 5.062 -3.731 1.00 0.00 O ATOM 840 OE2 GLU A 56 3.103 7.052 -3.191 1.00 0.00 O ATOM 0 H GLU A 56 7.458 4.342 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 56 5.598 5.211 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.559 4.251 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.193 3.672 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.567 5.943 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.063 6.603 -1.419 1.00 0.00 H new ATOM 847 N LEU A 57 6.200 1.997 0.007 1.00 0.00 N ATOM 848 CA LEU A 57 6.030 0.676 0.668 1.00 0.00 C ATOM 849 C LEU A 57 6.557 0.766 2.100 1.00 0.00 C ATOM 850 O LEU A 57 5.992 0.204 3.018 1.00 0.00 O ATOM 851 CB LEU A 57 6.826 -0.384 -0.101 1.00 0.00 C ATOM 852 CG LEU A 57 6.132 -1.748 -0.002 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.573 -1.954 1.408 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.988 -1.813 -1.014 1.00 0.00 C ATOM 0 H LEU A 57 6.796 1.994 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 57 4.975 0.401 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.919 -0.091 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.837 -0.453 0.302 1.00 0.00 H new ATOM 0 HG LEU A 57 6.859 -2.531 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.082 -2.926 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.387 -1.914 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.851 -1.169 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.495 -2.782 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.268 -1.023 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.385 -1.680 -2.021 1.00 0.00 H new ATOM 866 N TYR A 58 7.637 1.474 2.299 1.00 0.00 N ATOM 867 CA TYR A 58 8.201 1.605 3.672 1.00 0.00 C ATOM 868 C TYR A 58 7.313 2.538 4.498 1.00 0.00 C ATOM 869 O TYR A 58 7.158 2.369 5.691 1.00 0.00 O ATOM 870 CB TYR A 58 9.615 2.183 3.591 1.00 0.00 C ATOM 871 CG TYR A 58 10.255 2.148 4.957 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.691 0.930 5.494 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.411 3.332 5.688 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.284 0.898 6.762 1.00 0.00 C ATOM 875 CE2 TYR A 58 11.005 3.299 6.955 1.00 0.00 C ATOM 876 CZ TYR A 58 11.442 2.082 7.492 1.00 0.00 C ATOM 877 OH TYR A 58 12.027 2.049 8.742 1.00 0.00 O ATOM 0 H TYR A 58 8.152 1.967 1.570 1.00 0.00 H new ATOM 0 HA TYR A 58 8.239 0.624 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.213 1.609 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.579 3.208 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.570 0.017 4.931 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.073 4.271 5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.620 -0.041 7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.126 4.212 7.518 1.00 0.00 H new ATOM 0 HH TYR A 58 12.061 2.956 9.111 1.00 0.00 H new ATOM 887 N ARG A 59 6.728 3.523 3.873 1.00 0.00 N ATOM 888 CA ARG A 59 5.850 4.465 4.622 1.00 0.00 C ATOM 889 C ARG A 59 4.615 3.715 5.124 1.00 0.00 C ATOM 890 O ARG A 59 3.992 4.101 6.093 1.00 0.00 O ATOM 891 CB ARG A 59 5.413 5.602 3.695 1.00 0.00 C ATOM 892 CG ARG A 59 4.802 6.732 4.526 1.00 0.00 C ATOM 893 CD ARG A 59 3.447 7.126 3.934 1.00 0.00 C ATOM 894 NE ARG A 59 2.557 7.625 5.021 1.00 0.00 N ATOM 895 CZ ARG A 59 1.274 7.737 4.813 1.00 0.00 C ATOM 896 NH1 ARG A 59 0.836 8.240 3.691 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.428 7.349 5.727 1.00 0.00 N ATOM 0 H ARG A 59 6.820 3.716 2.876 1.00 0.00 H new ATOM 0 HA ARG A 59 6.397 4.878 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.268 5.973 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.686 5.235 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.679 6.412 5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.471 7.593 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.580 7.897 3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.990 6.268 3.440 1.00 0.00 H new ATOM 0 HE ARG A 59 2.951 7.879 5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.497 8.546 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.167 8.327 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.770 6.958 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.575 7.437 5.564 1.00 0.00 H new ATOM 911 N PHE A 60 4.260 2.642 4.473 1.00 0.00 N ATOM 912 CA PHE A 60 3.069 1.863 4.912 1.00 0.00 C ATOM 913 C PHE A 60 3.522 0.484 5.394 1.00 0.00 C ATOM 914 O PHE A 60 2.838 -0.503 5.215 1.00 0.00 O ATOM 915 CB PHE A 60 2.101 1.702 3.738 1.00 0.00 C ATOM 916 CG PHE A 60 1.216 2.922 3.644 1.00 0.00 C ATOM 917 CD1 PHE A 60 1.730 4.120 3.132 1.00 0.00 C ATOM 918 CD2 PHE A 60 -0.115 2.856 4.071 1.00 0.00 C ATOM 919 CE1 PHE A 60 0.910 5.251 3.046 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.934 3.987 3.984 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.422 5.185 3.471 1.00 0.00 C ATOM 0 H PHE A 60 4.744 2.271 3.655 1.00 0.00 H new ATOM 0 HA PHE A 60 2.566 2.389 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.657 1.571 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.493 0.808 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.758 4.171 2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.510 1.932 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.305 6.175 2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.962 3.936 4.313 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.055 6.058 3.403 1.00 0.00 H new ATOM 931 N ARG A 61 4.674 0.412 6.003 1.00 0.00 N ATOM 932 CA ARG A 61 5.176 -0.901 6.497 1.00 0.00 C ATOM 933 C ARG A 61 4.251 -1.418 7.602 1.00 0.00 C ATOM 934 O ARG A 61 4.069 -2.608 7.766 1.00 0.00 O ATOM 935 CB ARG A 61 6.589 -0.728 7.055 1.00 0.00 C ATOM 936 CG ARG A 61 7.162 -2.096 7.430 1.00 0.00 C ATOM 937 CD ARG A 61 7.999 -2.635 6.268 1.00 0.00 C ATOM 938 NE ARG A 61 8.896 -3.717 6.762 1.00 0.00 N ATOM 939 CZ ARG A 61 10.129 -3.786 6.339 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.382 -4.217 5.133 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.109 -3.426 7.122 1.00 0.00 N ATOM 0 H ARG A 61 5.289 1.206 6.180 1.00 0.00 H new ATOM 0 HA ARG A 61 5.194 -1.616 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.227 -0.245 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.569 -0.078 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.777 -2.011 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.354 -2.789 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.347 -3.019 5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.589 -1.831 5.828 1.00 0.00 H new ATOM 0 HE ARG A 61 8.547 -4.404 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.616 -4.500 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.345 -4.271 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.912 -3.091 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.072 -3.480 6.791 1.00 0.00 H new ATOM 955 N ASP A 62 3.666 -0.532 8.362 1.00 0.00 N ATOM 956 CA ASP A 62 2.755 -0.970 9.458 1.00 0.00 C ATOM 957 C ASP A 62 1.568 -1.737 8.869 1.00 0.00 C ATOM 958 O ASP A 62 0.814 -2.372 9.580 1.00 0.00 O ATOM 959 CB ASP A 62 2.243 0.258 10.215 1.00 0.00 C ATOM 960 CG ASP A 62 3.229 0.621 11.326 1.00 0.00 C ATOM 961 OD1 ASP A 62 3.859 -0.283 11.851 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.338 1.797 11.633 1.00 0.00 O ATOM 0 H ASP A 62 3.780 0.478 8.271 1.00 0.00 H new ATOM 0 HA ASP A 62 3.300 -1.621 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.126 1.098 9.530 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.260 0.053 10.639 1.00 0.00 H new ATOM 967 N ARG A 63 1.397 -1.688 7.577 1.00 0.00 N ATOM 968 CA ARG A 63 0.261 -2.418 6.947 1.00 0.00 C ATOM 969 C ARG A 63 0.818 -3.494 6.015 1.00 0.00 C ATOM 970 O ARG A 63 0.132 -4.420 5.633 1.00 0.00 O ATOM 971 CB ARG A 63 -0.591 -1.435 6.141 1.00 0.00 C ATOM 972 CG ARG A 63 -2.059 -1.865 6.196 1.00 0.00 C ATOM 973 CD ARG A 63 -2.916 -0.854 5.434 1.00 0.00 C ATOM 974 NE ARG A 63 -3.844 -0.175 6.382 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.900 1.129 6.419 1.00 0.00 C ATOM 976 NH1 ARG A 63 -2.931 1.809 6.967 1.00 0.00 N ATOM 977 NH2 ARG A 63 -4.926 1.752 5.906 1.00 0.00 N ATOM 0 H ARG A 63 1.995 -1.174 6.930 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.355 -2.881 7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.481 -0.428 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.249 -1.404 5.107 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.175 -2.857 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.391 -1.931 7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.279 -0.119 4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.483 -1.358 4.652 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.435 -0.729 7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.129 1.322 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.975 2.828 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.683 1.220 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.971 2.771 5.934 1.00 0.00 H new ATOM 991 N LEU A 64 2.063 -3.373 5.652 1.00 0.00 N ATOM 992 CA LEU A 64 2.688 -4.374 4.747 1.00 0.00 C ATOM 993 C LEU A 64 2.407 -5.790 5.258 1.00 0.00 C ATOM 994 O LEU A 64 2.997 -6.216 6.232 1.00 0.00 O ATOM 995 CB LEU A 64 4.198 -4.143 4.731 1.00 0.00 C ATOM 996 CG LEU A 64 4.765 -4.569 3.382 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.238 -4.169 3.309 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.640 -6.087 3.231 1.00 0.00 C ATOM 0 H LEU A 64 2.680 -2.616 5.947 1.00 0.00 H new ATOM 0 HA LEU A 64 2.274 -4.266 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.417 -3.091 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.672 -4.711 5.532 1.00 0.00 H new ATOM 0 HG LEU A 64 4.211 -4.080 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.650 -4.471 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.327 -3.088 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.789 -4.662 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.046 -6.391 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.195 -6.579 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.590 -6.373 3.290 1.00 0.00 H new ATOM 1010 N PRO A 65 1.526 -6.488 4.586 1.00 0.00 N ATOM 1011 CA PRO A 65 1.187 -7.848 4.967 1.00 0.00 C ATOM 1012 C PRO A 65 2.470 -8.670 5.118 1.00 0.00 C ATOM 1013 O PRO A 65 2.891 -8.981 6.214 1.00 0.00 O ATOM 1014 CB PRO A 65 0.329 -8.370 3.818 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.259 -7.071 3.180 1.00 0.00 C ATOM 1016 CD PRO A 65 0.812 -5.966 3.409 1.00 0.00 C ATOM 0 HA PRO A 65 0.659 -7.908 5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.922 -8.937 3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.459 -9.034 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.455 -7.211 2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.206 -6.800 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.471 -5.849 2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.362 -4.992 3.601 1.00 0.00 H new ATOM 1024 N GLU A 66 3.094 -9.017 4.026 1.00 0.00 N ATOM 1025 CA GLU A 66 4.347 -9.812 4.093 1.00 0.00 C ATOM 1026 C GLU A 66 4.789 -10.154 2.672 1.00 0.00 C ATOM 1027 O GLU A 66 5.963 -10.249 2.376 1.00 0.00 O ATOM 1028 CB GLU A 66 4.078 -11.105 4.857 1.00 0.00 C ATOM 1029 CG GLU A 66 5.386 -11.637 5.445 1.00 0.00 C ATOM 1030 CD GLU A 66 5.333 -13.163 5.511 1.00 0.00 C ATOM 1031 OE1 GLU A 66 5.019 -13.770 4.501 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.607 -13.700 6.573 1.00 0.00 O ATOM 0 H GLU A 66 2.785 -8.780 3.083 1.00 0.00 H new ATOM 0 HA GLU A 66 5.125 -9.241 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.356 -10.925 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.639 -11.848 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.229 -11.318 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.543 -11.225 6.442 1.00 0.00 H new ATOM 1039 N LYS A 67 3.849 -10.341 1.787 1.00 0.00 N ATOM 1040 CA LYS A 67 4.183 -10.690 0.386 1.00 0.00 C ATOM 1041 C LYS A 67 4.803 -9.496 -0.354 1.00 0.00 C ATOM 1042 O LYS A 67 5.007 -9.546 -1.550 1.00 0.00 O ATOM 1043 CB LYS A 67 2.894 -11.104 -0.313 1.00 0.00 C ATOM 1044 CG LYS A 67 1.894 -9.947 -0.275 1.00 0.00 C ATOM 1045 CD LYS A 67 0.471 -10.497 -0.385 1.00 0.00 C ATOM 1046 CE LYS A 67 -0.086 -10.759 1.016 1.00 0.00 C ATOM 1047 NZ LYS A 67 -1.522 -11.142 0.917 1.00 0.00 N ATOM 0 H LYS A 67 2.851 -10.265 1.982 1.00 0.00 H new ATOM 0 HA LYS A 67 4.912 -11.500 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.102 -11.384 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.469 -11.981 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.007 -9.385 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.092 -9.255 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.165 -9.787 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.470 -11.419 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.481 -11.554 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.022 -9.868 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.900 -11.320 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.057 -10.370 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.613 -12.004 0.342 1.00 0.00 H new ATOM 1061 N LEU A 68 5.107 -8.424 0.330 1.00 0.00 N ATOM 1062 CA LEU A 68 5.710 -7.252 -0.369 1.00 0.00 C ATOM 1063 C LEU A 68 6.816 -6.648 0.500 1.00 0.00 C ATOM 1064 O LEU A 68 7.369 -5.615 0.184 1.00 0.00 O ATOM 1065 CB LEU A 68 4.639 -6.185 -0.633 1.00 0.00 C ATOM 1066 CG LEU A 68 3.246 -6.818 -0.605 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.730 -6.851 0.835 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.292 -5.990 -1.468 1.00 0.00 C ATOM 0 H LEU A 68 4.965 -8.310 1.334 1.00 0.00 H new ATOM 0 HA LEU A 68 6.127 -7.586 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.705 -5.399 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.814 -5.715 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 68 3.301 -7.834 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.738 -7.302 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.409 -7.440 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.675 -5.835 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.300 -6.441 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.237 -4.974 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.659 -5.965 -2.494 1.00 0.00 H new ATOM 1080 N ARG A 69 7.143 -7.280 1.593 1.00 0.00 N ATOM 1081 CA ARG A 69 8.210 -6.728 2.473 1.00 0.00 C ATOM 1082 C ARG A 69 9.480 -6.495 1.652 1.00 0.00 C ATOM 1083 O ARG A 69 10.000 -5.399 1.596 1.00 0.00 O ATOM 1084 CB ARG A 69 8.505 -7.719 3.601 1.00 0.00 C ATOM 1085 CG ARG A 69 7.790 -7.269 4.877 1.00 0.00 C ATOM 1086 CD ARG A 69 8.827 -6.917 5.944 1.00 0.00 C ATOM 1087 NE ARG A 69 8.815 -7.959 7.009 1.00 0.00 N ATOM 1088 CZ ARG A 69 9.725 -7.945 7.946 1.00 0.00 C ATOM 1089 NH1 ARG A 69 10.162 -6.808 8.414 1.00 0.00 N ATOM 1090 NH2 ARG A 69 10.198 -9.068 8.412 1.00 0.00 N ATOM 0 H ARG A 69 6.720 -8.151 1.914 1.00 0.00 H new ATOM 0 HA ARG A 69 7.876 -5.782 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.172 -8.718 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.579 -7.778 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.160 -6.405 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.135 -8.062 5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.818 -6.851 5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.606 -5.940 6.373 1.00 0.00 H new ATOM 0 HE ARG A 69 8.096 -8.683 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.793 -5.930 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.873 -6.797 9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.857 -9.956 8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.909 -9.058 9.144 1.00 0.00 H new ATOM 1104 N TYR A 70 9.983 -7.516 1.013 1.00 0.00 N ATOM 1105 CA TYR A 70 11.219 -7.347 0.199 1.00 0.00 C ATOM 1106 C TYR A 70 11.071 -6.121 -0.704 1.00 0.00 C ATOM 1107 O TYR A 70 12.014 -5.388 -0.931 1.00 0.00 O ATOM 1108 CB TYR A 70 11.437 -8.586 -0.668 1.00 0.00 C ATOM 1109 CG TYR A 70 10.142 -8.969 -1.341 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.814 -8.420 -2.587 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.271 -9.874 -0.724 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.614 -8.777 -3.215 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.071 -10.230 -1.352 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.743 -9.682 -2.598 1.00 0.00 C ATOM 1115 OH TYR A 70 6.562 -10.034 -3.217 1.00 0.00 O ATOM 0 H TYR A 70 9.592 -8.458 1.020 1.00 0.00 H new ATOM 0 HA TYR A 70 12.072 -7.213 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.203 -8.387 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.798 -9.412 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.486 -7.722 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.524 -10.298 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.361 -8.354 -4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.398 -10.927 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 70 5.853 -10.120 -2.545 1.00 0.00 H new ATOM 1125 N LEU A 71 9.894 -5.893 -1.217 1.00 0.00 N ATOM 1126 CA LEU A 71 9.684 -4.714 -2.101 1.00 0.00 C ATOM 1127 C LEU A 71 9.951 -3.440 -1.300 1.00 0.00 C ATOM 1128 O LEU A 71 10.664 -2.557 -1.736 1.00 0.00 O ATOM 1129 CB LEU A 71 8.239 -4.713 -2.606 1.00 0.00 C ATOM 1130 CG LEU A 71 8.120 -5.616 -3.831 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.663 -6.053 -3.997 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.567 -4.843 -5.070 1.00 0.00 C ATOM 0 H LEU A 71 9.069 -6.472 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 71 10.363 -4.760 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.569 -5.061 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.933 -3.698 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 71 8.750 -6.496 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.574 -6.698 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.343 -6.599 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.032 -5.174 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.484 -5.484 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.933 -3.966 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.603 -4.527 -4.948 1.00 0.00 H new ATOM 1144 N ALA A 72 9.393 -3.343 -0.127 1.00 0.00 N ATOM 1145 CA ALA A 72 9.619 -2.133 0.709 1.00 0.00 C ATOM 1146 C ALA A 72 11.040 -2.168 1.278 1.00 0.00 C ATOM 1147 O ALA A 72 11.490 -1.231 1.908 1.00 0.00 O ATOM 1148 CB ALA A 72 8.610 -2.114 1.859 1.00 0.00 C ATOM 0 H ALA A 72 8.789 -4.051 0.290 1.00 0.00 H new ATOM 0 HA ALA A 72 9.492 -1.238 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.774 -1.228 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.598 -2.093 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.738 -3.007 2.470 1.00 0.00 H new ATOM 1154 N ASP A 73 11.750 -3.242 1.061 1.00 0.00 N ATOM 1155 CA ASP A 73 13.139 -3.337 1.589 1.00 0.00 C ATOM 1156 C ASP A 73 14.128 -2.912 0.504 1.00 0.00 C ATOM 1157 O ASP A 73 15.279 -2.630 0.775 1.00 0.00 O ATOM 1158 CB ASP A 73 13.429 -4.780 2.007 1.00 0.00 C ATOM 1159 CG ASP A 73 13.168 -4.940 3.506 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.329 -3.966 4.222 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.813 -6.034 3.912 1.00 0.00 O ATOM 0 H ASP A 73 11.427 -4.058 0.540 1.00 0.00 H new ATOM 0 HA ASP A 73 13.244 -2.681 2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.799 -5.467 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.464 -5.035 1.778 1.00 0.00 H new ATOM 1166 N ALA A 74 13.691 -2.865 -0.725 1.00 0.00 N ATOM 1167 CA ALA A 74 14.610 -2.458 -1.826 1.00 0.00 C ATOM 1168 C ALA A 74 14.835 -0.943 -1.770 1.00 0.00 C ATOM 1169 O ALA A 74 14.065 -0.229 -1.159 1.00 0.00 O ATOM 1170 CB ALA A 74 13.985 -2.828 -3.172 1.00 0.00 C ATOM 0 H ALA A 74 12.739 -3.090 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 74 15.564 -2.972 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.656 -2.531 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.822 -3.905 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.032 -2.312 -3.285 1.00 0.00 H new ATOM 1176 N PRO A 75 15.886 -0.498 -2.413 1.00 0.00 N ATOM 1177 CA PRO A 75 16.222 0.919 -2.451 1.00 0.00 C ATOM 1178 C PRO A 75 14.992 1.739 -2.855 1.00 0.00 C ATOM 1179 O PRO A 75 14.029 1.212 -3.376 1.00 0.00 O ATOM 1180 CB PRO A 75 17.314 1.021 -3.510 1.00 0.00 C ATOM 1181 CG PRO A 75 17.955 -0.402 -3.510 1.00 0.00 C ATOM 1182 CD PRO A 75 16.805 -1.383 -3.142 1.00 0.00 C ATOM 0 HA PRO A 75 16.550 1.303 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.903 1.276 -4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.045 1.790 -3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.376 -0.641 -4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.769 -0.465 -2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.340 -1.819 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.154 -2.211 -2.524 1.00 0.00 H new ATOM 1190 N GLN A 76 15.011 3.024 -2.617 1.00 0.00 N ATOM 1191 CA GLN A 76 13.835 3.862 -2.986 1.00 0.00 C ATOM 1192 C GLN A 76 14.303 5.219 -3.515 1.00 0.00 C ATOM 1193 O GLN A 76 13.704 6.239 -3.236 1.00 0.00 O ATOM 1194 CB GLN A 76 12.958 4.077 -1.750 1.00 0.00 C ATOM 1195 CG GLN A 76 13.693 4.974 -0.752 1.00 0.00 C ATOM 1196 CD GLN A 76 13.175 4.697 0.660 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.358 3.820 0.861 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.617 5.415 1.657 1.00 0.00 N ATOM 0 H GLN A 76 15.786 3.527 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 76 13.264 3.353 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.011 4.535 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.721 3.119 -1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.766 4.787 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.540 6.022 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.303 6.152 1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.277 5.239 2.602 1.00 0.00 H new ATOM 1207 N GLN A 77 15.357 5.239 -4.287 1.00 0.00 N ATOM 1208 CA GLN A 77 15.855 6.530 -4.846 1.00 0.00 C ATOM 1209 C GLN A 77 17.316 6.381 -5.276 1.00 0.00 C ATOM 1210 O GLN A 77 17.820 7.155 -6.065 1.00 0.00 O ATOM 1211 CB GLN A 77 15.761 7.628 -3.782 1.00 0.00 C ATOM 1212 CG GLN A 77 16.170 7.058 -2.423 1.00 0.00 C ATOM 1213 CD GLN A 77 17.067 8.061 -1.696 1.00 0.00 C ATOM 1214 OE1 GLN A 77 18.166 7.732 -1.297 1.00 0.00 O ATOM 1215 NE2 GLN A 77 16.643 9.281 -1.509 1.00 0.00 N ATOM 0 H GLN A 77 15.896 4.415 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 77 15.243 6.798 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.409 8.463 -4.048 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.744 8.017 -3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.284 6.846 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.697 6.113 -2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.720 9.557 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.235 9.958 -1.028 1.00 0.00 H new ATOM 1224 N ASP A 78 18.001 5.398 -4.756 1.00 0.00 N ATOM 1225 CA ASP A 78 19.433 5.204 -5.130 1.00 0.00 C ATOM 1226 C ASP A 78 20.301 6.212 -4.367 1.00 0.00 C ATOM 1227 O ASP A 78 19.796 7.173 -3.822 1.00 0.00 O ATOM 1228 CB ASP A 78 19.603 5.416 -6.637 1.00 0.00 C ATOM 1229 CG ASP A 78 20.336 4.218 -7.241 1.00 0.00 C ATOM 1230 OD1 ASP A 78 20.164 3.124 -6.730 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.061 4.417 -8.202 1.00 0.00 O ATOM 0 H ASP A 78 17.632 4.721 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 78 19.742 4.191 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.628 5.536 -7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 78 20.164 6.332 -6.825 1.00 0.00 H new ATOM 1236 N PRO A 79 21.588 5.958 -4.351 1.00 0.00 N ATOM 1237 CA PRO A 79 22.545 6.821 -3.665 1.00 0.00 C ATOM 1238 C PRO A 79 22.424 8.273 -4.147 1.00 0.00 C ATOM 1239 O PRO A 79 22.952 9.180 -3.536 1.00 0.00 O ATOM 1240 CB PRO A 79 23.910 6.249 -4.039 1.00 0.00 C ATOM 1241 CG PRO A 79 23.597 4.763 -4.392 1.00 0.00 C ATOM 1242 CD PRO A 79 22.173 4.782 -5.013 1.00 0.00 C ATOM 0 HA PRO A 79 22.378 6.842 -2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.349 6.779 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.617 6.325 -3.213 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.328 4.363 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.631 4.132 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.198 4.890 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.618 3.869 -4.797 1.00 0.00 H new ATOM 1250 N GLU A 80 21.743 8.505 -5.238 1.00 0.00 N ATOM 1251 CA GLU A 80 21.608 9.900 -5.744 1.00 0.00 C ATOM 1252 C GLU A 80 20.380 10.557 -5.110 1.00 0.00 C ATOM 1253 O GLU A 80 20.484 11.557 -4.428 1.00 0.00 O ATOM 1254 CB GLU A 80 21.447 9.876 -7.266 1.00 0.00 C ATOM 1255 CG GLU A 80 21.556 11.300 -7.813 1.00 0.00 C ATOM 1256 CD GLU A 80 22.777 11.402 -8.729 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.881 11.264 -8.229 1.00 0.00 O ATOM 1258 OE2 GLU A 80 22.586 11.617 -9.915 1.00 0.00 O ATOM 0 H GLU A 80 21.277 7.791 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 80 22.499 10.470 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.214 9.243 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.482 9.445 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.652 11.560 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.644 12.011 -6.991 1.00 0.00 H new ATOM 1265 N GLY A 81 19.217 10.006 -5.325 1.00 0.00 N ATOM 1266 CA GLY A 81 17.991 10.605 -4.727 1.00 0.00 C ATOM 1267 C GLY A 81 16.955 10.875 -5.820 1.00 0.00 C ATOM 1268 O GLY A 81 16.134 11.763 -5.703 1.00 0.00 O ATOM 0 H GLY A 81 19.063 9.169 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.575 9.931 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.242 11.534 -4.215 1.00 0.00 H new ATOM 1272 N ASN A 82 16.981 10.116 -6.880 1.00 0.00 N ATOM 1273 CA ASN A 82 15.989 10.332 -7.974 1.00 0.00 C ATOM 1274 C ASN A 82 14.732 9.514 -7.673 1.00 0.00 C ATOM 1275 O ASN A 82 13.904 9.289 -8.532 1.00 0.00 O ATOM 1276 CB ASN A 82 16.575 9.879 -9.319 1.00 0.00 C ATOM 1277 CG ASN A 82 18.103 9.812 -9.235 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.755 10.807 -8.990 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.704 8.669 -9.430 1.00 0.00 N ATOM 0 H ASN A 82 17.644 9.357 -7.037 1.00 0.00 H new ATOM 0 HA ASN A 82 15.745 11.393 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.175 8.901 -9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.277 10.572 -10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.721 8.612 -9.377 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.156 7.833 -9.636 1.00 0.00 H new ATOM 1286 N LYS A 83 14.589 9.065 -6.456 1.00 0.00 N ATOM 1287 CA LYS A 83 13.398 8.258 -6.089 1.00 0.00 C ATOM 1288 C LYS A 83 13.342 7.004 -6.941 1.00 0.00 C ATOM 1289 O LYS A 83 13.597 7.022 -8.127 1.00 0.00 O ATOM 1290 CB LYS A 83 12.141 9.070 -6.301 1.00 0.00 C ATOM 1291 CG LYS A 83 12.036 10.095 -5.181 1.00 0.00 C ATOM 1292 CD LYS A 83 10.570 10.285 -4.801 1.00 0.00 C ATOM 1293 CE LYS A 83 10.148 11.729 -5.083 1.00 0.00 C ATOM 1294 NZ LYS A 83 8.681 11.777 -5.335 1.00 0.00 N ATOM 0 H LYS A 83 15.252 9.225 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 83 13.472 7.977 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.171 9.569 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.266 8.420 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.607 9.762 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.466 11.044 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.945 9.596 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.425 10.053 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.403 12.366 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.689 12.115 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.394 12.758 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.450 11.182 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.173 11.425 -4.498 1.00 0.00 H new ATOM 1308 N THR A 84 13.018 5.914 -6.329 1.00 0.00 N ATOM 1309 CA THR A 84 12.945 4.635 -7.076 1.00 0.00 C ATOM 1310 C THR A 84 11.654 3.916 -6.704 1.00 0.00 C ATOM 1311 O THR A 84 11.367 3.692 -5.546 1.00 0.00 O ATOM 1312 CB THR A 84 14.151 3.773 -6.710 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.299 4.599 -6.587 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.393 2.744 -7.804 1.00 0.00 C ATOM 0 H THR A 84 12.798 5.849 -5.335 1.00 0.00 H new ATOM 0 HA THR A 84 12.954 4.824 -8.149 1.00 0.00 H new ATOM 0 HB THR A 84 13.958 3.264 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.789 4.606 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.254 2.129 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.513 2.110 -7.908 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.586 3.255 -8.748 1.00 0.00 H new ATOM 1322 N MET A 85 10.866 3.564 -7.680 1.00 0.00 N ATOM 1323 CA MET A 85 9.582 2.872 -7.375 1.00 0.00 C ATOM 1324 C MET A 85 9.695 1.391 -7.728 1.00 0.00 C ATOM 1325 O MET A 85 10.655 0.956 -8.329 1.00 0.00 O ATOM 1326 CB MET A 85 8.437 3.529 -8.162 1.00 0.00 C ATOM 1327 CG MET A 85 8.344 2.938 -9.571 1.00 0.00 C ATOM 1328 SD MET A 85 6.842 3.536 -10.378 1.00 0.00 S ATOM 1329 CE MET A 85 5.951 1.962 -10.352 1.00 0.00 C ATOM 0 H MET A 85 11.053 3.724 -8.670 1.00 0.00 H new ATOM 0 HA MET A 85 9.368 2.960 -6.310 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.494 3.379 -7.636 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.601 4.605 -8.223 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.220 3.221 -10.154 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.333 1.849 -9.520 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.878 2.150 -10.397 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.250 1.360 -11.210 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.187 1.426 -9.433 1.00 0.00 H new ATOM 1339 N VAL A 86 8.722 0.614 -7.355 1.00 0.00 N ATOM 1340 CA VAL A 86 8.778 -0.836 -7.670 1.00 0.00 C ATOM 1341 C VAL A 86 8.283 -1.071 -9.099 1.00 0.00 C ATOM 1342 O VAL A 86 7.538 -0.284 -9.646 1.00 0.00 O ATOM 1343 CB VAL A 86 7.890 -1.599 -6.687 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.812 -3.068 -7.104 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.488 -1.496 -5.282 1.00 0.00 C ATOM 0 H VAL A 86 7.892 0.919 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 86 9.806 -1.189 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 86 6.888 -1.170 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.179 -3.612 -6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.389 -3.140 -8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.812 -3.501 -7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.858 -2.039 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.489 -1.927 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.544 -0.448 -4.986 1.00 0.00 H new ATOM 1355 N ARG A 87 8.690 -2.152 -9.700 1.00 0.00 N ATOM 1356 CA ARG A 87 8.245 -2.461 -11.088 1.00 0.00 C ATOM 1357 C ARG A 87 8.010 -3.967 -11.192 1.00 0.00 C ATOM 1358 O ARG A 87 8.050 -4.676 -10.207 1.00 0.00 O ATOM 1359 CB ARG A 87 9.323 -2.046 -12.090 1.00 0.00 C ATOM 1360 CG ARG A 87 9.876 -0.675 -11.704 1.00 0.00 C ATOM 1361 CD ARG A 87 8.898 0.403 -12.163 1.00 0.00 C ATOM 1362 NE ARG A 87 9.655 1.608 -12.607 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.231 2.308 -13.623 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.055 2.872 -13.581 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.982 2.445 -14.681 1.00 0.00 N ATOM 0 H ARG A 87 9.318 -2.842 -9.286 1.00 0.00 H new ATOM 0 HA ARG A 87 7.329 -1.915 -11.312 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.126 -2.783 -12.103 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.905 -2.011 -13.096 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.020 -0.618 -10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.851 -0.519 -12.165 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.283 0.026 -12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.222 0.665 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 87 10.505 1.885 -12.116 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.468 2.766 -12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.723 3.419 -14.375 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.901 2.005 -14.714 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.650 2.992 -15.475 1.00 0.00 H new ATOM 1379 N PHE A 88 7.774 -4.470 -12.369 1.00 0.00 N ATOM 1380 CA PHE A 88 7.551 -5.936 -12.507 1.00 0.00 C ATOM 1381 C PHE A 88 8.100 -6.421 -13.846 1.00 0.00 C ATOM 1382 O PHE A 88 7.491 -6.240 -14.881 1.00 0.00 O ATOM 1383 CB PHE A 88 6.057 -6.245 -12.438 1.00 0.00 C ATOM 1384 CG PHE A 88 5.852 -7.731 -12.617 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.234 -8.615 -11.601 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.284 -8.224 -13.797 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.049 -9.993 -11.766 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.098 -9.602 -13.961 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.480 -10.485 -12.945 1.00 0.00 C ATOM 0 H PHE A 88 7.726 -3.935 -13.236 1.00 0.00 H new ATOM 0 HA PHE A 88 8.067 -6.447 -11.694 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.650 -5.922 -11.480 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.523 -5.695 -13.213 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.671 -8.234 -10.690 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.989 -7.542 -14.581 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.346 -10.676 -10.983 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.660 -9.983 -14.871 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.335 -11.548 -13.071 1.00 0.00 H new ATOM 1399 N SER A 89 9.241 -7.051 -13.834 1.00 0.00 N ATOM 1400 CA SER A 89 9.820 -7.561 -15.106 1.00 0.00 C ATOM 1401 C SER A 89 9.141 -8.884 -15.457 1.00 0.00 C ATOM 1402 O SER A 89 8.926 -9.726 -14.607 1.00 0.00 O ATOM 1403 CB SER A 89 11.322 -7.786 -14.932 1.00 0.00 C ATOM 1404 OG SER A 89 12.025 -6.646 -15.408 1.00 0.00 O ATOM 0 H SER A 89 9.797 -7.234 -12.999 1.00 0.00 H new ATOM 0 HA SER A 89 9.659 -6.837 -15.905 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.556 -7.960 -13.882 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.634 -8.675 -15.480 1.00 0.00 H new ATOM 0 HG SER A 89 11.832 -5.878 -14.831 1.00 0.00 H new ATOM 1410 N ARG A 90 8.797 -9.076 -16.700 1.00 0.00 N ATOM 1411 CA ARG A 90 8.129 -10.347 -17.096 1.00 0.00 C ATOM 1412 C ARG A 90 9.194 -11.376 -17.471 1.00 0.00 C ATOM 1413 O ARG A 90 8.963 -12.567 -17.430 1.00 0.00 O ATOM 1414 CB ARG A 90 7.211 -10.098 -18.295 1.00 0.00 C ATOM 1415 CG ARG A 90 6.657 -8.674 -18.231 1.00 0.00 C ATOM 1416 CD ARG A 90 5.558 -8.506 -19.282 1.00 0.00 C ATOM 1417 NE ARG A 90 4.861 -7.206 -19.069 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.171 -6.669 -20.038 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.745 -7.410 -21.025 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.907 -5.391 -20.020 1.00 0.00 N ATOM 0 H ARG A 90 8.949 -8.410 -17.457 1.00 0.00 H new ATOM 0 HA ARG A 90 7.533 -10.721 -16.263 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.762 -10.243 -19.224 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.392 -10.818 -18.295 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.258 -8.472 -17.237 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.456 -7.953 -18.406 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.989 -8.540 -20.283 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.846 -9.328 -19.213 1.00 0.00 H new ATOM 0 HE ARG A 90 4.923 -6.736 -18.166 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.951 -8.409 -21.039 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.206 -6.990 -21.782 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.240 -4.812 -19.249 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.368 -4.971 -20.777 1.00 0.00 H new ATOM 1434 N LYS A 91 10.367 -10.925 -17.824 1.00 0.00 N ATOM 1435 CA LYS A 91 11.447 -11.880 -18.188 1.00 0.00 C ATOM 1436 C LYS A 91 11.641 -12.866 -17.037 1.00 0.00 C ATOM 1437 O LYS A 91 12.120 -13.968 -17.221 1.00 0.00 O ATOM 1438 CB LYS A 91 12.750 -11.113 -18.426 1.00 0.00 C ATOM 1439 CG LYS A 91 12.772 -10.573 -19.857 1.00 0.00 C ATOM 1440 CD LYS A 91 11.638 -9.560 -20.038 1.00 0.00 C ATOM 1441 CE LYS A 91 11.850 -8.379 -19.090 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.084 -7.140 -19.885 1.00 0.00 N ATOM 0 H LYS A 91 10.622 -9.939 -17.875 1.00 0.00 H new ATOM 0 HA LYS A 91 11.175 -12.417 -19.097 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.835 -10.291 -17.715 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.605 -11.768 -18.260 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.732 -10.101 -20.064 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.660 -11.392 -20.568 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.610 -9.211 -21.070 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.677 -10.034 -19.836 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.978 -8.253 -18.448 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.701 -8.571 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.228 -6.336 -19.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.928 -7.263 -20.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.259 -6.955 -20.490 1.00 0.00 H new ATOM 1456 N THR A 92 11.270 -12.476 -15.849 1.00 0.00 N ATOM 1457 CA THR A 92 11.428 -13.386 -14.681 1.00 0.00 C ATOM 1458 C THR A 92 10.209 -13.260 -13.765 1.00 0.00 C ATOM 1459 O THR A 92 10.178 -13.806 -12.681 1.00 0.00 O ATOM 1460 CB THR A 92 12.688 -13.001 -13.903 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.835 -11.587 -13.916 1.00 0.00 O ATOM 1462 CG2 THR A 92 13.910 -13.648 -14.552 1.00 0.00 C ATOM 0 H THR A 92 10.864 -11.565 -15.637 1.00 0.00 H new ATOM 0 HA THR A 92 11.514 -14.414 -15.032 1.00 0.00 H new ATOM 0 HB THR A 92 12.601 -13.350 -12.874 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.641 -11.337 -13.417 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.806 -13.372 -13.996 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.796 -14.732 -14.542 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.001 -13.302 -15.582 1.00 0.00 H new ATOM 1470 N LYS A 93 9.204 -12.543 -14.191 1.00 0.00 N ATOM 1471 CA LYS A 93 7.993 -12.380 -13.341 1.00 0.00 C ATOM 1472 C LYS A 93 8.423 -12.102 -11.898 1.00 0.00 C ATOM 1473 O LYS A 93 8.163 -12.882 -11.003 1.00 0.00 O ATOM 1474 CB LYS A 93 7.158 -13.663 -13.388 1.00 0.00 C ATOM 1475 CG LYS A 93 5.979 -13.468 -14.343 1.00 0.00 C ATOM 1476 CD LYS A 93 5.861 -14.685 -15.263 1.00 0.00 C ATOM 1477 CE LYS A 93 5.047 -14.310 -16.503 1.00 0.00 C ATOM 1478 NZ LYS A 93 5.735 -14.822 -17.722 1.00 0.00 N ATOM 0 H LYS A 93 9.171 -12.064 -15.091 1.00 0.00 H new ATOM 0 HA LYS A 93 7.396 -11.547 -13.712 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.774 -14.499 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.795 -13.910 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.057 -13.336 -13.777 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.122 -12.564 -14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.852 -15.030 -15.556 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.380 -15.508 -14.735 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.044 -14.732 -16.434 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.934 -13.228 -16.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.182 -14.567 -18.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.683 -14.400 -17.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.821 -15.857 -17.664 1.00 0.00 H new ATOM 1492 N GLN A 94 9.084 -11.001 -11.667 1.00 0.00 N ATOM 1493 CA GLN A 94 9.533 -10.684 -10.280 1.00 0.00 C ATOM 1494 C GLN A 94 9.372 -9.185 -10.011 1.00 0.00 C ATOM 1495 O GLN A 94 8.796 -8.460 -10.797 1.00 0.00 O ATOM 1496 CB GLN A 94 11.005 -11.073 -10.122 1.00 0.00 C ATOM 1497 CG GLN A 94 11.132 -12.597 -10.091 1.00 0.00 C ATOM 1498 CD GLN A 94 12.529 -13.008 -10.565 1.00 0.00 C ATOM 1499 OE1 GLN A 94 12.742 -14.142 -10.946 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.496 -12.132 -10.553 1.00 0.00 N ATOM 0 H GLN A 94 9.332 -10.309 -12.375 1.00 0.00 H new ATOM 0 HA GLN A 94 8.926 -11.244 -9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.590 -10.666 -10.947 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.408 -10.646 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.957 -12.966 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.373 -13.048 -10.730 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.318 -11.180 -10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.430 -12.399 -10.863 1.00 0.00 H new ATOM 1509 N GLN A 95 9.878 -8.719 -8.900 1.00 0.00 N ATOM 1510 CA GLN A 95 9.758 -7.269 -8.573 1.00 0.00 C ATOM 1511 C GLN A 95 11.096 -6.571 -8.830 1.00 0.00 C ATOM 1512 O GLN A 95 12.112 -6.930 -8.268 1.00 0.00 O ATOM 1513 CB GLN A 95 9.393 -7.100 -7.093 1.00 0.00 C ATOM 1514 CG GLN A 95 7.895 -7.334 -6.877 1.00 0.00 C ATOM 1515 CD GLN A 95 7.088 -6.560 -7.920 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.296 -5.379 -8.112 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.169 -7.181 -8.608 1.00 0.00 N ATOM 0 H GLN A 95 10.369 -9.281 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 95 8.982 -6.829 -9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.967 -7.802 -6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.662 -6.098 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.671 -8.398 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.610 -7.015 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.994 -8.173 -8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.626 -6.674 -9.307 1.00 0.00 H new ATOM 1526 N TYR A 96 11.101 -5.562 -9.656 1.00 0.00 N ATOM 1527 CA TYR A 96 12.368 -4.828 -9.929 1.00 0.00 C ATOM 1528 C TYR A 96 12.107 -3.327 -9.764 1.00 0.00 C ATOM 1529 O TYR A 96 11.197 -2.782 -10.349 1.00 0.00 O ATOM 1530 CB TYR A 96 12.860 -5.149 -11.351 1.00 0.00 C ATOM 1531 CG TYR A 96 12.223 -4.222 -12.363 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.679 -2.904 -12.486 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.187 -4.682 -13.182 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.097 -2.046 -13.427 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.604 -3.826 -14.125 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.060 -2.507 -14.246 1.00 0.00 C ATOM 1537 OH TYR A 96 10.487 -1.662 -15.174 1.00 0.00 O ATOM 0 H TYR A 96 10.282 -5.214 -10.154 1.00 0.00 H new ATOM 0 HA TYR A 96 13.144 -5.136 -9.228 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.945 -5.053 -11.396 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.621 -6.183 -11.598 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.480 -2.549 -11.855 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.836 -5.699 -13.087 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.448 -1.029 -13.521 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.804 -4.182 -14.758 1.00 0.00 H new ATOM 0 HH TYR A 96 9.783 -2.140 -15.661 1.00 0.00 H new ATOM 1547 N VAL A 97 12.884 -2.654 -8.964 1.00 0.00 N ATOM 1548 CA VAL A 97 12.650 -1.193 -8.765 1.00 0.00 C ATOM 1549 C VAL A 97 13.434 -0.401 -9.810 1.00 0.00 C ATOM 1550 O VAL A 97 14.354 -0.901 -10.422 1.00 0.00 O ATOM 1551 CB VAL A 97 13.114 -0.782 -7.365 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.055 -1.180 -6.338 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.432 -1.488 -7.035 1.00 0.00 C ATOM 0 H VAL A 97 13.667 -3.047 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 97 11.586 -0.983 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 97 13.262 0.298 -7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.386 -0.887 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.116 -0.678 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.906 -2.259 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.762 -1.195 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.284 -2.567 -7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.189 -1.205 -7.766 1.00 0.00 H new ATOM 1563 N SER A 98 13.071 0.834 -10.020 1.00 0.00 N ATOM 1564 CA SER A 98 13.793 1.659 -11.023 1.00 0.00 C ATOM 1565 C SER A 98 13.726 3.134 -10.617 1.00 0.00 C ATOM 1566 O SER A 98 12.663 3.680 -10.386 1.00 0.00 O ATOM 1567 CB SER A 98 13.150 1.469 -12.397 1.00 0.00 C ATOM 1568 OG SER A 98 14.137 1.026 -13.320 1.00 0.00 O ATOM 0 H SER A 98 12.305 1.306 -9.539 1.00 0.00 H new ATOM 0 HA SER A 98 14.837 1.347 -11.069 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.341 0.741 -12.335 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.711 2.406 -12.739 1.00 0.00 H new ATOM 0 HG SER A 98 14.852 1.694 -13.380 1.00 0.00 H new ATOM 1574 N SER A 99 14.856 3.781 -10.529 1.00 0.00 N ATOM 1575 CA SER A 99 14.873 5.221 -10.142 1.00 0.00 C ATOM 1576 C SER A 99 14.306 6.055 -11.293 1.00 0.00 C ATOM 1577 O SER A 99 14.755 5.959 -12.418 1.00 0.00 O ATOM 1578 CB SER A 99 16.313 5.654 -9.863 1.00 0.00 C ATOM 1579 OG SER A 99 16.916 4.730 -8.967 1.00 0.00 O ATOM 0 H SER A 99 15.773 3.372 -10.709 1.00 0.00 H new ATOM 0 HA SER A 99 14.269 5.369 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.879 5.698 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.327 6.656 -9.434 1.00 0.00 H new ATOM 0 HG SER A 99 17.883 4.888 -8.936 1.00 0.00 H new ATOM 1585 N GLU A 100 13.322 6.870 -11.028 1.00 0.00 N ATOM 1586 CA GLU A 100 12.735 7.701 -12.115 1.00 0.00 C ATOM 1587 C GLU A 100 12.452 9.109 -11.589 1.00 0.00 C ATOM 1588 O GLU A 100 11.689 9.294 -10.661 1.00 0.00 O ATOM 1589 CB GLU A 100 11.430 7.064 -12.596 1.00 0.00 C ATOM 1590 CG GLU A 100 11.050 7.645 -13.959 1.00 0.00 C ATOM 1591 CD GLU A 100 9.532 7.821 -14.034 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.840 6.817 -14.035 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.089 8.956 -14.091 1.00 0.00 O ATOM 0 H GLU A 100 12.900 6.996 -10.108 1.00 0.00 H new ATOM 0 HA GLU A 100 13.439 7.760 -12.945 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.546 5.983 -12.669 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.634 7.251 -11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.546 8.604 -14.108 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.390 6.983 -14.756 1.00 0.00 H new ATOM 1600 N LYS A 101 13.060 10.104 -12.175 1.00 0.00 N ATOM 1601 CA LYS A 101 12.824 11.499 -11.711 1.00 0.00 C ATOM 1602 C LYS A 101 11.363 11.883 -11.942 1.00 0.00 C ATOM 1603 O LYS A 101 10.530 11.049 -12.237 1.00 0.00 O ATOM 1604 CB LYS A 101 13.728 12.449 -12.474 1.00 0.00 C ATOM 1605 CG LYS A 101 14.627 13.144 -11.460 1.00 0.00 C ATOM 1606 CD LYS A 101 16.041 13.241 -12.018 1.00 0.00 C ATOM 1607 CE LYS A 101 16.442 14.711 -12.153 1.00 0.00 C ATOM 1608 NZ LYS A 101 17.860 14.879 -11.725 1.00 0.00 N ATOM 0 H LYS A 101 13.710 10.010 -12.955 1.00 0.00 H new ATOM 0 HA LYS A 101 13.046 11.565 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.325 11.905 -13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.137 13.180 -13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.242 14.140 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.632 12.589 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.738 12.723 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.094 12.749 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.321 15.039 -13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.790 15.335 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.134 15.878 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.961 14.581 -10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.476 14.295 -12.326 1.00 0.00 H new ATOM 1622 N ASP A 102 11.046 13.141 -11.808 1.00 0.00 N ATOM 1623 CA ASP A 102 9.638 13.581 -12.018 1.00 0.00 C ATOM 1624 C ASP A 102 9.276 13.470 -13.501 1.00 0.00 C ATOM 1625 O ASP A 102 8.146 13.685 -13.891 1.00 0.00 O ATOM 1626 CB ASP A 102 9.485 15.034 -11.564 1.00 0.00 C ATOM 1627 CG ASP A 102 8.485 15.106 -10.407 1.00 0.00 C ATOM 1628 OD1 ASP A 102 7.321 14.822 -10.639 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.900 15.442 -9.310 1.00 0.00 O ATOM 0 H ASP A 102 11.701 13.883 -11.562 1.00 0.00 H new ATOM 0 HA ASP A 102 8.972 12.944 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.450 15.431 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.142 15.651 -12.394 1.00 0.00 H new ATOM 1634 N GLY A 103 10.225 13.135 -14.330 1.00 0.00 N ATOM 1635 CA GLY A 103 9.932 13.010 -15.786 1.00 0.00 C ATOM 1636 C GLY A 103 11.244 12.947 -16.571 1.00 0.00 C ATOM 1637 O GLY A 103 11.352 13.475 -17.660 1.00 0.00 O ATOM 0 H GLY A 103 11.190 12.942 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.342 12.113 -15.973 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.336 13.859 -16.121 1.00 0.00 H new ATOM 1641 N LYS A 104 12.243 12.307 -16.028 1.00 0.00 N ATOM 1642 CA LYS A 104 13.545 12.212 -16.746 1.00 0.00 C ATOM 1643 C LYS A 104 13.932 10.741 -16.917 1.00 0.00 C ATOM 1644 O LYS A 104 14.853 10.412 -17.637 1.00 0.00 O ATOM 1645 CB LYS A 104 14.626 12.933 -15.939 1.00 0.00 C ATOM 1646 CG LYS A 104 15.549 13.698 -16.890 1.00 0.00 C ATOM 1647 CD LYS A 104 14.814 14.923 -17.438 1.00 0.00 C ATOM 1648 CE LYS A 104 14.289 15.767 -16.276 1.00 0.00 C ATOM 1649 NZ LYS A 104 15.369 15.942 -15.263 1.00 0.00 N ATOM 0 H LYS A 104 12.214 11.846 -15.119 1.00 0.00 H new ATOM 0 HA LYS A 104 13.451 12.677 -17.727 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.167 13.621 -15.229 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.202 12.213 -15.358 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.453 14.007 -16.366 1.00 0.00 H new ATOM 0 HG3 LYS A 104 15.861 13.051 -17.710 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.487 15.517 -18.057 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.987 14.609 -18.075 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.956 16.739 -16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.424 15.283 -15.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.119 16.720 -14.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.479 15.063 -14.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.264 16.165 -15.744 1.00 0.00 H new ATOM 1663 N ALA A 105 13.238 9.853 -16.258 1.00 0.00 N ATOM 1664 CA ALA A 105 13.569 8.406 -16.384 1.00 0.00 C ATOM 1665 C ALA A 105 15.086 8.222 -16.309 1.00 0.00 C ATOM 1666 O ALA A 105 15.734 7.913 -17.289 1.00 0.00 O ATOM 1667 CB ALA A 105 13.058 7.881 -17.727 1.00 0.00 C ATOM 0 H ALA A 105 12.457 10.067 -15.638 1.00 0.00 H new ATOM 0 HA ALA A 105 13.095 7.853 -15.573 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.300 6.822 -17.820 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.977 8.012 -17.782 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.532 8.434 -18.538 1.00 0.00 H new ATOM 1673 N THR A 106 15.659 8.411 -15.151 1.00 0.00 N ATOM 1674 CA THR A 106 17.134 8.248 -15.014 1.00 0.00 C ATOM 1675 C THR A 106 17.576 6.972 -15.735 1.00 0.00 C ATOM 1676 O THR A 106 18.225 7.022 -16.762 1.00 0.00 O ATOM 1677 CB THR A 106 17.501 8.150 -13.532 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.453 7.499 -12.828 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.703 9.555 -12.962 1.00 0.00 C ATOM 0 H THR A 106 15.169 8.671 -14.295 1.00 0.00 H new ATOM 0 HA THR A 106 17.637 9.108 -15.457 1.00 0.00 H new ATOM 0 HB THR A 106 18.423 7.579 -13.423 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.879 7.023 -13.463 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.964 9.485 -11.906 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.507 10.055 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.782 10.128 -13.071 1.00 0.00 H new ATOM 1687 N GLY A 107 17.229 5.830 -15.209 1.00 0.00 N ATOM 1688 CA GLY A 107 17.632 4.555 -15.868 1.00 0.00 C ATOM 1689 C GLY A 107 17.926 3.496 -14.804 1.00 0.00 C ATOM 1690 O GLY A 107 17.972 2.315 -15.085 1.00 0.00 O ATOM 0 H GLY A 107 16.685 5.724 -14.353 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.838 4.209 -16.529 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.514 4.717 -16.487 1.00 0.00 H new ATOM 1694 N TRP A 108 18.128 3.908 -13.582 1.00 0.00 N ATOM 1695 CA TRP A 108 18.419 2.923 -12.502 1.00 0.00 C ATOM 1696 C TRP A 108 17.319 1.861 -12.471 1.00 0.00 C ATOM 1697 O TRP A 108 16.150 2.159 -12.613 1.00 0.00 O ATOM 1698 CB TRP A 108 18.472 3.645 -11.155 1.00 0.00 C ATOM 1699 CG TRP A 108 19.153 2.776 -10.148 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.493 2.669 -9.995 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.557 1.893 -9.152 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.758 1.781 -8.969 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.598 1.276 -8.418 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.229 1.572 -8.815 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.332 0.373 -7.389 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.958 0.663 -7.780 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.008 0.064 -7.069 1.00 0.00 C ATOM 0 H TRP A 108 18.104 4.884 -13.285 1.00 0.00 H new ATOM 0 HA TRP A 108 19.379 2.444 -12.695 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.008 4.589 -11.258 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.463 3.886 -10.820 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.235 3.192 -10.579 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.696 1.530 -8.657 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.413 2.028 -9.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.144 -0.084 -6.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 15.935 0.424 -7.530 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.793 -0.636 -6.275 1.00 0.00 H new ATOM 1718 N SER A 109 17.684 0.622 -12.286 1.00 0.00 N ATOM 1719 CA SER A 109 16.661 -0.459 -12.247 1.00 0.00 C ATOM 1720 C SER A 109 17.223 -1.664 -11.486 1.00 0.00 C ATOM 1721 O SER A 109 17.953 -2.468 -12.033 1.00 0.00 O ATOM 1722 CB SER A 109 16.309 -0.881 -13.675 1.00 0.00 C ATOM 1723 OG SER A 109 17.454 -1.458 -14.289 1.00 0.00 O ATOM 0 H SER A 109 18.648 0.312 -12.160 1.00 0.00 H new ATOM 0 HA SER A 109 15.766 -0.094 -11.744 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.488 -1.598 -13.663 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.970 -0.018 -14.249 1.00 0.00 H new ATOM 0 HG SER A 109 17.728 -2.254 -13.787 1.00 0.00 H new ATOM 1729 N ALA A 110 16.893 -1.798 -10.230 1.00 0.00 N ATOM 1730 CA ALA A 110 17.414 -2.950 -9.442 1.00 0.00 C ATOM 1731 C ALA A 110 16.456 -4.134 -9.570 1.00 0.00 C ATOM 1732 O ALA A 110 15.280 -3.971 -9.831 1.00 0.00 O ATOM 1733 CB ALA A 110 17.536 -2.551 -7.971 1.00 0.00 C ATOM 0 H ALA A 110 16.286 -1.160 -9.716 1.00 0.00 H new ATOM 0 HA ALA A 110 18.395 -3.234 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.917 -3.395 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.222 -1.709 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.556 -2.265 -7.589 1.00 0.00 H new ATOM 1739 N PHE A 111 16.953 -5.327 -9.390 1.00 0.00 N ATOM 1740 CA PHE A 111 16.075 -6.526 -9.505 1.00 0.00 C ATOM 1741 C PHE A 111 16.123 -7.333 -8.209 1.00 0.00 C ATOM 1742 O PHE A 111 17.161 -7.496 -7.605 1.00 0.00 O ATOM 1743 CB PHE A 111 16.558 -7.409 -10.660 1.00 0.00 C ATOM 1744 CG PHE A 111 16.710 -6.579 -11.909 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.876 -5.832 -12.112 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.689 -6.560 -12.867 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.022 -5.065 -13.273 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.836 -5.794 -14.028 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.002 -5.047 -14.231 1.00 0.00 C ATOM 0 H PHE A 111 17.929 -5.523 -9.168 1.00 0.00 H new ATOM 0 HA PHE A 111 15.053 -6.198 -9.693 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.510 -7.872 -10.402 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.847 -8.217 -10.834 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.663 -5.848 -11.373 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.789 -7.136 -12.710 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.921 -4.487 -13.430 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.050 -5.779 -14.768 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.115 -4.456 -15.128 1.00 0.00 H new ATOM 1759 N TYR A 112 15.007 -7.849 -7.781 1.00 0.00 N ATOM 1760 CA TYR A 112 14.998 -8.654 -6.531 1.00 0.00 C ATOM 1761 C TYR A 112 15.270 -10.117 -6.875 1.00 0.00 C ATOM 1762 O TYR A 112 14.411 -10.815 -7.373 1.00 0.00 O ATOM 1763 CB TYR A 112 13.631 -8.537 -5.856 1.00 0.00 C ATOM 1764 CG TYR A 112 13.741 -8.991 -4.421 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.807 -8.548 -3.630 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.781 -9.855 -3.881 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.914 -8.966 -2.300 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.888 -10.274 -2.550 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.955 -9.830 -1.759 1.00 0.00 C ATOM 1770 OH TYR A 112 14.059 -10.242 -0.447 1.00 0.00 O ATOM 0 H TYR A 112 14.102 -7.748 -8.242 1.00 0.00 H new ATOM 0 HA TYR A 112 15.768 -8.285 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.280 -7.506 -5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.898 -9.145 -6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.548 -7.882 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.958 -10.198 -4.491 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.736 -8.622 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.147 -10.940 -2.133 1.00 0.00 H new ATOM 0 HH TYR A 112 13.815 -11.189 -0.381 1.00 0.00 H new ATOM 1780 N VAL A 113 16.457 -10.594 -6.612 1.00 0.00 N ATOM 1781 CA VAL A 113 16.766 -12.010 -6.925 1.00 0.00 C ATOM 1782 C VAL A 113 16.407 -12.859 -5.705 1.00 0.00 C ATOM 1783 O VAL A 113 15.454 -12.575 -5.016 1.00 0.00 O ATOM 1784 CB VAL A 113 18.254 -12.155 -7.263 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.461 -13.411 -8.112 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.728 -10.934 -8.060 1.00 0.00 C ATOM 0 H VAL A 113 17.221 -10.062 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 113 16.189 -12.344 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 113 18.824 -12.231 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.519 -13.516 -8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.127 -14.286 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.885 -13.326 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.786 -11.043 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.155 -10.858 -8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.580 -10.032 -7.466 1.00 0.00 H new ATOM 1796 N ASP A 114 17.170 -13.869 -5.406 1.00 0.00 N ATOM 1797 CA ASP A 114 16.855 -14.703 -4.209 1.00 0.00 C ATOM 1798 C ASP A 114 17.115 -13.839 -2.997 1.00 0.00 C ATOM 1799 O ASP A 114 18.207 -13.821 -2.466 1.00 0.00 O ATOM 1800 CB ASP A 114 17.765 -15.933 -4.178 1.00 0.00 C ATOM 1801 CG ASP A 114 19.193 -15.522 -4.543 1.00 0.00 C ATOM 1802 OD1 ASP A 114 19.918 -15.116 -3.649 1.00 0.00 O ATOM 1803 OD2 ASP A 114 19.537 -15.620 -5.709 1.00 0.00 O ATOM 0 H ASP A 114 17.995 -14.155 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 114 15.821 -15.049 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.748 -16.386 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.402 -16.685 -4.878 1.00 0.00 H new ATOM 1808 N GLY A 115 16.148 -13.061 -2.589 1.00 0.00 N ATOM 1809 CA GLY A 115 16.406 -12.138 -1.460 1.00 0.00 C ATOM 1810 C GLY A 115 17.698 -11.412 -1.818 1.00 0.00 C ATOM 1811 O GLY A 115 18.464 -11.003 -0.969 1.00 0.00 O ATOM 0 H GLY A 115 15.208 -13.028 -2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.583 -11.435 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.509 -12.684 -0.522 1.00 0.00 H new ATOM 1815 N LYS A 116 17.961 -11.305 -3.106 1.00 0.00 N ATOM 1816 CA LYS A 116 19.226 -10.666 -3.555 1.00 0.00 C ATOM 1817 C LYS A 116 18.957 -9.494 -4.499 1.00 0.00 C ATOM 1818 O LYS A 116 19.160 -9.601 -5.691 1.00 0.00 O ATOM 1819 CB LYS A 116 20.073 -11.704 -4.294 1.00 0.00 C ATOM 1820 CG LYS A 116 21.394 -11.911 -3.552 1.00 0.00 C ATOM 1821 CD LYS A 116 21.141 -12.699 -2.266 1.00 0.00 C ATOM 1822 CE LYS A 116 22.303 -13.664 -2.022 1.00 0.00 C ATOM 1823 NZ LYS A 116 21.770 -14.971 -1.541 1.00 0.00 N ATOM 0 H LYS A 116 17.351 -11.634 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 116 19.748 -10.290 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.531 -12.647 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.266 -11.371 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.099 -12.448 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.846 -10.947 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.038 -12.016 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.205 -13.252 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.871 -13.807 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.989 -13.245 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.534 -15.677 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 21.396 -14.860 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 21.008 -15.289 -2.174 1.00 0.00 H new ATOM 1837 N TRP A 117 18.533 -8.368 -3.996 1.00 0.00 N ATOM 1838 CA TRP A 117 18.302 -7.218 -4.911 1.00 0.00 C ATOM 1839 C TRP A 117 19.549 -7.044 -5.784 1.00 0.00 C ATOM 1840 O TRP A 117 20.606 -7.557 -5.474 1.00 0.00 O ATOM 1841 CB TRP A 117 18.060 -5.945 -4.101 1.00 0.00 C ATOM 1842 CG TRP A 117 16.604 -5.833 -3.787 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.065 -5.977 -2.556 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.492 -5.562 -4.692 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.696 -5.812 -2.644 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.294 -5.553 -3.939 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.405 -5.325 -6.078 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.054 -5.315 -4.537 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.163 -5.087 -6.680 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.989 -5.080 -5.913 1.00 0.00 C ATOM 0 H TRP A 117 18.340 -8.196 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 117 17.426 -7.405 -5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.642 -5.969 -3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.391 -5.073 -4.664 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.615 -6.187 -1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.060 -5.874 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.302 -5.327 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.153 -5.313 -3.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.109 -4.907 -7.744 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.036 -4.893 -6.385 1.00 0.00 H new ATOM 1861 N VAL A 118 19.441 -6.338 -6.873 1.00 0.00 N ATOM 1862 CA VAL A 118 20.629 -6.154 -7.755 1.00 0.00 C ATOM 1863 C VAL A 118 20.529 -4.808 -8.473 1.00 0.00 C ATOM 1864 O VAL A 118 19.569 -4.082 -8.317 1.00 0.00 O ATOM 1865 CB VAL A 118 20.688 -7.282 -8.797 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.674 -8.352 -8.339 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.309 -7.920 -8.957 1.00 0.00 C ATOM 0 H VAL A 118 18.586 -5.881 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 118 21.532 -6.179 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 118 21.009 -6.862 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.714 -9.151 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.664 -7.910 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.349 -8.760 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.361 -8.718 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.986 -8.332 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.595 -7.165 -9.287 1.00 0.00 H new ATOM 1877 N GLU A 119 21.515 -4.470 -9.258 1.00 0.00 N ATOM 1878 CA GLU A 119 21.477 -3.171 -9.986 1.00 0.00 C ATOM 1879 C GLU A 119 21.882 -3.391 -11.444 1.00 0.00 C ATOM 1880 O GLU A 119 23.021 -3.688 -11.744 1.00 0.00 O ATOM 1881 CB GLU A 119 22.453 -2.191 -9.328 1.00 0.00 C ATOM 1882 CG GLU A 119 21.776 -1.526 -8.128 1.00 0.00 C ATOM 1883 CD GLU A 119 22.734 -0.512 -7.500 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.381 0.203 -8.247 1.00 0.00 O ATOM 1885 OE2 GLU A 119 22.804 -0.467 -6.283 1.00 0.00 O ATOM 0 H GLU A 119 22.345 -5.038 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 119 20.467 -2.762 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.352 -2.717 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.766 -1.435 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 119 20.859 -1.029 -8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.493 -2.279 -7.393 1.00 0.00 H new ATOM 1892 N GLY A 120 20.957 -3.250 -12.354 1.00 0.00 N ATOM 1893 CA GLY A 120 21.291 -3.454 -13.793 1.00 0.00 C ATOM 1894 C GLY A 120 22.162 -2.295 -14.283 1.00 0.00 C ATOM 1895 O GLY A 120 22.795 -2.378 -15.317 1.00 0.00 O ATOM 0 H GLY A 120 19.986 -3.003 -12.164 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.817 -4.400 -13.925 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.378 -3.512 -14.385 1.00 0.00 H new ATOM 1899 N LYS A 121 22.199 -1.216 -13.551 1.00 0.00 N ATOM 1900 CA LYS A 121 23.029 -0.054 -13.977 1.00 0.00 C ATOM 1901 C LYS A 121 22.642 0.354 -15.399 1.00 0.00 C ATOM 1902 O LYS A 121 23.096 -0.224 -16.367 1.00 0.00 O ATOM 1903 CB LYS A 121 24.508 -0.446 -13.943 1.00 0.00 C ATOM 1904 CG LYS A 121 25.321 0.683 -13.305 1.00 0.00 C ATOM 1905 CD LYS A 121 26.309 0.095 -12.297 1.00 0.00 C ATOM 1906 CE LYS A 121 26.111 0.763 -10.935 1.00 0.00 C ATOM 1907 NZ LYS A 121 27.059 0.172 -9.948 1.00 0.00 N ATOM 0 H LYS A 121 21.690 -1.089 -12.676 1.00 0.00 H new ATOM 0 HA LYS A 121 22.859 0.783 -13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 121 24.638 -1.368 -13.376 1.00 0.00 H new ATOM 0 HB3 LYS A 121 24.867 -0.641 -14.954 1.00 0.00 H new ATOM 0 HG2 LYS A 121 25.858 1.238 -14.074 1.00 0.00 H new ATOM 0 HG3 LYS A 121 24.655 1.389 -12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 121 26.159 -0.981 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.331 0.248 -12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 121 26.278 1.837 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 121 25.084 0.625 -10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 26.924 0.626 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 26.879 -0.849 -9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 28.036 0.326 -10.270 1.00 0.00 H new ATOM 1921 N LYS A 122 21.806 1.346 -15.535 1.00 0.00 N ATOM 1922 CA LYS A 122 21.392 1.790 -16.895 1.00 0.00 C ATOM 1923 C LYS A 122 20.960 0.575 -17.719 1.00 0.00 C ATOM 1924 O LYS A 122 19.800 0.208 -17.635 1.00 0.00 O ATOM 1925 CB LYS A 122 22.568 2.483 -17.586 1.00 0.00 C ATOM 1926 CG LYS A 122 22.159 3.900 -17.995 1.00 0.00 C ATOM 1927 CD LYS A 122 23.311 4.567 -18.747 1.00 0.00 C ATOM 1928 CE LYS A 122 22.820 5.869 -19.383 1.00 0.00 C ATOM 1929 NZ LYS A 122 22.994 5.795 -20.861 1.00 0.00 N ATOM 1930 OXT LYS A 122 21.798 0.033 -18.421 1.00 0.00 O ATOM 0 H LYS A 122 21.392 1.868 -14.763 1.00 0.00 H new ATOM 0 HA LYS A 122 20.558 2.487 -16.811 1.00 0.00 H new ATOM 0 HB2 LYS A 122 23.426 2.520 -16.915 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.874 1.914 -18.464 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.271 3.866 -18.626 1.00 0.00 H new ATOM 0 HG3 LYS A 122 21.901 4.484 -17.112 1.00 0.00 H new ATOM 0 HD2 LYS A 122 24.135 4.772 -18.064 1.00 0.00 H new ATOM 0 HD3 LYS A 122 23.694 3.896 -19.516 1.00 0.00 H new ATOM 0 HE2 LYS A 122 21.771 6.034 -19.137 1.00 0.00 H new ATOM 0 HE3 LYS A 122 23.378 6.715 -18.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 22.661 6.680 -21.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 24.000 5.657 -21.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 22.443 4.997 -21.236 1.00 0.00 H new TER 1944 LYS A 122