USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 858 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 98 GLN : amide:sc= 0.433 K(o=1.2,f=-2.7) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -125:sc= 0.747 (180deg=0) USER MOD Set 2.1: A 54 GLN : amide:sc= -3.15! K(o=-2.3!,f=-0.28) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.825 K(o=-2.3,f=-1.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -5.81! K(o=-5.8!,f=-0.22) USER MOD Single : A 11 GLN : amide:sc=-0.000966 X(o=-0.00097,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.779 K(o=-0.78,f=-0.0097) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 150:sc= -0.491 (180deg=-3.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -110:sc= -0.0956 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -98:sc= -1.54! USER MOD Single : A 35 GLN : amide:sc= -6.3! K(o=-6.3!,f=-1.6) USER MOD Single : A 38 GLN : amide:sc= -3.82! K(o=-3.8!,f=-0.83) USER MOD Single : A 43 CYS SG : rot -78:sc= -1.49 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -65:sc= -1.41! USER MOD Single : A 67 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 73 GLN : amide:sc= -6.82! C(o=-6.8!,f=-8.7!) USER MOD Single : A 84 CYS SG : rot 95:sc= 1.09 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00137 X(o=-0.0014,f=-0.025) USER MOD Single : A 97 GLN : amide:sc= -0.605 X(o=-0.61,f=-0.14) USER MOD Single : A 103 THR OG1 : rot 85:sc= 0.406 USER MOD Single : A 106 LYS NZ :NH3+ -148:sc= -3.18! (180deg=-4.89!) USER MOD Single : A 107 TYR OH : rot 175:sc= 1.23 USER MOD Single : A 108 LYS NZ :NH3+ -121:sc= -1.32! (180deg=-2.39!) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0292 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.171 9.833 3.698 1.00 0.00 N ATOM 60 CA ILE A 5 11.781 9.610 4.074 1.00 0.00 C ATOM 61 C ILE A 5 10.934 10.853 3.822 1.00 0.00 C ATOM 62 O ILE A 5 9.770 10.750 3.435 1.00 0.00 O ATOM 63 CB ILE A 5 11.672 9.138 5.539 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.041 7.658 5.623 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.270 9.350 6.072 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.341 7.168 7.023 1.00 0.00 C ATOM 0 HA ILE A 5 11.387 8.814 3.442 1.00 0.00 H new ATOM 0 HB ILE A 5 12.360 9.725 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.222 7.068 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.912 7.477 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.219 9.010 7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.020 10.410 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.562 8.783 5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.593 6.108 6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.181 7.729 7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.465 7.314 7.655 1.00 0.00 H new ATOM 78 N GLU A 6 11.549 12.017 3.968 1.00 0.00 N ATOM 79 CA GLU A 6 10.884 13.281 3.676 1.00 0.00 C ATOM 80 C GLU A 6 10.287 13.284 2.264 1.00 0.00 C ATOM 81 O GLU A 6 9.144 13.697 2.068 1.00 0.00 O ATOM 82 CB GLU A 6 11.870 14.443 3.840 1.00 0.00 C ATOM 83 CG GLU A 6 13.123 14.300 2.993 1.00 0.00 C ATOM 84 CD GLU A 6 14.078 15.464 3.139 1.00 0.00 C ATOM 85 OE1 GLU A 6 14.540 15.727 4.268 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.387 16.115 2.121 1.00 0.00 O ATOM 0 H GLU A 6 12.512 12.114 4.289 1.00 0.00 H new ATOM 0 HA GLU A 6 10.065 13.404 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.368 15.374 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.157 14.520 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.637 13.380 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.837 14.203 1.946 1.00 0.00 H new ATOM 93 N LYS A 7 11.050 12.804 1.286 1.00 0.00 N ATOM 94 CA LYS A 7 10.564 12.739 -0.086 1.00 0.00 C ATOM 95 C LYS A 7 9.590 11.574 -0.235 1.00 0.00 C ATOM 96 O LYS A 7 8.584 11.677 -0.937 1.00 0.00 O ATOM 97 CB LYS A 7 11.725 12.627 -1.076 1.00 0.00 C ATOM 98 CG LYS A 7 12.362 11.256 -1.156 1.00 0.00 C ATOM 99 CD LYS A 7 13.582 11.253 -2.065 1.00 0.00 C ATOM 100 CE LYS A 7 13.244 11.720 -3.470 1.00 0.00 C ATOM 101 NZ LYS A 7 14.451 11.797 -4.334 1.00 0.00 N ATOM 0 H LYS A 7 12.000 12.457 1.418 1.00 0.00 H new ATOM 0 HA LYS A 7 10.034 13.663 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.366 12.904 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.491 13.352 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.652 10.931 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.631 10.537 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.351 11.900 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.000 10.247 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.521 11.036 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.769 12.700 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.178 12.119 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.130 12.469 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.891 10.857 -4.401 1.00 0.00 H new ATOM 115 N ILE A 8 9.901 10.468 0.435 1.00 0.00 N ATOM 116 CA ILE A 8 9.070 9.279 0.396 1.00 0.00 C ATOM 117 C ILE A 8 7.648 9.560 0.885 1.00 0.00 C ATOM 118 O ILE A 8 6.681 9.147 0.250 1.00 0.00 O ATOM 119 CB ILE A 8 9.691 8.146 1.241 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.022 7.703 0.630 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.728 6.983 1.351 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.736 6.632 1.429 1.00 0.00 C ATOM 0 H ILE A 8 10.734 10.375 1.017 1.00 0.00 H new ATOM 0 HA ILE A 8 9.017 8.965 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 8 9.885 8.519 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.842 7.331 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.675 8.571 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.180 6.192 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.807 7.317 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.503 6.601 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.671 6.370 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.949 7.006 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.103 5.748 1.499 1.00 0.00 H new ATOM 134 N GLN A 9 7.517 10.251 2.013 1.00 0.00 N ATOM 135 CA GLN A 9 6.198 10.546 2.562 1.00 0.00 C ATOM 136 C GLN A 9 5.377 11.402 1.621 1.00 0.00 C ATOM 137 O GLN A 9 4.202 11.123 1.395 1.00 0.00 O ATOM 138 CB GLN A 9 6.290 11.195 3.942 1.00 0.00 C ATOM 139 CG GLN A 9 6.714 10.233 5.032 1.00 0.00 C ATOM 140 CD GLN A 9 6.714 10.868 6.406 1.00 0.00 C ATOM 141 OE1 GLN A 9 5.697 11.392 6.863 1.00 0.00 O ATOM 142 NE2 GLN A 9 7.843 10.799 7.086 1.00 0.00 N ATOM 0 H GLN A 9 8.298 10.614 2.560 1.00 0.00 H new ATOM 0 HA GLN A 9 5.686 9.591 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.000 12.021 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.320 11.621 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.043 9.374 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.713 9.857 4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.662 10.356 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.896 11.188 8.027 1.00 0.00 H new ATOM 151 N ARG A 10 6.017 12.374 1.000 1.00 0.00 N ATOM 152 CA ARG A 10 5.353 13.186 -0.008 1.00 0.00 C ATOM 153 C ARG A 10 4.873 12.319 -1.167 1.00 0.00 C ATOM 154 O ARG A 10 3.808 12.559 -1.734 1.00 0.00 O ATOM 155 CB ARG A 10 6.280 14.280 -0.529 1.00 0.00 C ATOM 156 CG ARG A 10 6.706 15.287 0.527 1.00 0.00 C ATOM 157 CD ARG A 10 5.514 15.997 1.147 1.00 0.00 C ATOM 158 NE ARG A 10 4.652 16.610 0.140 1.00 0.00 N ATOM 159 CZ ARG A 10 5.022 17.581 -0.697 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.209 18.163 -0.572 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.176 17.990 -1.635 1.00 0.00 N ATOM 0 H ARG A 10 6.991 12.622 1.173 1.00 0.00 H new ATOM 0 HA ARG A 10 4.490 13.658 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.170 13.816 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.780 14.810 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.271 14.777 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.374 16.023 0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.934 15.285 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.868 16.764 1.835 1.00 0.00 H new ATOM 0 HE ARG A 10 3.693 16.270 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.846 17.869 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.484 18.905 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.253 17.563 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.449 18.732 -2.280 1.00 0.00 H new ATOM 175 N GLN A 11 5.657 11.294 -1.492 1.00 0.00 N ATOM 176 CA GLN A 11 5.314 10.365 -2.566 1.00 0.00 C ATOM 177 C GLN A 11 4.111 9.513 -2.180 1.00 0.00 C ATOM 178 O GLN A 11 3.204 9.298 -2.982 1.00 0.00 O ATOM 179 CB GLN A 11 6.508 9.469 -2.903 1.00 0.00 C ATOM 180 CG GLN A 11 6.228 8.495 -4.033 1.00 0.00 C ATOM 181 CD GLN A 11 7.421 7.627 -4.384 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.913 6.857 -3.560 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.895 7.747 -5.614 1.00 0.00 N ATOM 0 H GLN A 11 6.539 11.085 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 11 5.055 10.949 -3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.358 10.095 -3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.796 8.909 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.391 7.855 -3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.921 9.053 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.458 8.397 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.697 7.189 -5.908 1.00 0.00 H new ATOM 192 N ILE A 12 4.117 9.017 -0.956 1.00 0.00 N ATOM 193 CA ILE A 12 3.033 8.177 -0.474 1.00 0.00 C ATOM 194 C ILE A 12 1.746 8.977 -0.347 1.00 0.00 C ATOM 195 O ILE A 12 0.676 8.526 -0.755 1.00 0.00 O ATOM 196 CB ILE A 12 3.367 7.550 0.896 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.666 6.744 0.817 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.217 6.680 1.373 1.00 0.00 C ATOM 199 CD1 ILE A 12 4.983 5.975 2.079 1.00 0.00 C ATOM 0 H ILE A 12 4.860 9.181 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 12 2.901 7.380 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 12 3.512 8.352 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.599 6.045 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.491 7.422 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.467 6.245 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.317 7.287 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.040 5.883 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.917 5.429 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.083 6.670 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.178 5.271 2.288 1.00 0.00 H new ATOM 211 N ALA A 13 1.864 10.141 0.267 1.00 0.00 N ATOM 212 CA ALA A 13 0.723 11.005 0.527 1.00 0.00 C ATOM 213 C ALA A 13 0.013 11.412 -0.762 1.00 0.00 C ATOM 214 O ALA A 13 -1.211 11.534 -0.787 1.00 0.00 O ATOM 215 CB ALA A 13 1.162 12.239 1.299 1.00 0.00 C ATOM 0 H ALA A 13 2.753 10.515 0.600 1.00 0.00 H new ATOM 0 HA ALA A 13 0.012 10.439 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.298 12.877 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.603 11.936 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.900 12.790 0.716 1.00 0.00 H new ATOM 221 N GLU A 14 0.784 11.688 -1.814 1.00 0.00 N ATOM 222 CA GLU A 14 0.194 12.154 -3.066 1.00 0.00 C ATOM 223 C GLU A 14 -0.637 11.068 -3.744 1.00 0.00 C ATOM 224 O GLU A 14 -1.637 11.370 -4.395 1.00 0.00 O ATOM 225 CB GLU A 14 1.233 12.732 -4.029 1.00 0.00 C ATOM 226 CG GLU A 14 2.337 11.783 -4.418 1.00 0.00 C ATOM 227 CD GLU A 14 3.295 12.413 -5.405 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.034 13.554 -5.844 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.296 11.765 -5.775 1.00 0.00 O ATOM 0 H GLU A 14 1.800 11.599 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.478 12.969 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.723 13.063 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.678 13.616 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.883 11.475 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.906 10.882 -4.854 1.00 0.00 H new ATOM 236 N ASN A 15 -0.266 9.805 -3.560 1.00 0.00 N ATOM 237 CA ASN A 15 -1.051 8.715 -4.133 1.00 0.00 C ATOM 238 C ASN A 15 -2.310 8.494 -3.315 1.00 0.00 C ATOM 239 O ASN A 15 -2.260 8.384 -2.091 1.00 0.00 O ATOM 240 CB ASN A 15 -0.232 7.426 -4.219 1.00 0.00 C ATOM 241 CG ASN A 15 0.929 7.544 -5.186 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.740 7.827 -6.369 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.137 7.329 -4.693 1.00 0.00 N ATOM 0 H ASN A 15 0.555 9.513 -3.030 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.333 8.996 -5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.147 7.173 -3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.880 6.607 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.955 7.395 -5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.251 7.097 -3.706 1.00 0.00 H new ATOM 250 N PRO A 16 -3.469 8.504 -3.988 1.00 0.00 N ATOM 251 CA PRO A 16 -4.773 8.386 -3.328 1.00 0.00 C ATOM 252 C PRO A 16 -4.932 7.075 -2.597 1.00 0.00 C ATOM 253 O PRO A 16 -5.392 7.029 -1.460 1.00 0.00 O ATOM 254 CB PRO A 16 -5.760 8.431 -4.499 1.00 0.00 C ATOM 255 CG PRO A 16 -5.033 9.133 -5.588 1.00 0.00 C ATOM 256 CD PRO A 16 -3.603 8.715 -5.441 1.00 0.00 C ATOM 0 HA PRO A 16 -4.916 9.165 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.056 7.427 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.672 8.963 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.426 8.855 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.138 10.214 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.388 7.806 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.919 9.482 -5.803 1.00 0.00 H new ATOM 264 N ILE A 17 -4.500 6.020 -3.246 1.00 0.00 N ATOM 265 CA ILE A 17 -4.552 4.695 -2.673 1.00 0.00 C ATOM 266 C ILE A 17 -3.235 4.032 -3.006 1.00 0.00 C ATOM 267 O ILE A 17 -2.825 4.057 -4.166 1.00 0.00 O ATOM 268 CB ILE A 17 -5.705 3.856 -3.291 1.00 0.00 C ATOM 269 CG1 ILE A 17 -7.036 4.632 -3.316 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.880 2.552 -2.530 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.553 5.053 -1.952 1.00 0.00 C ATOM 0 H ILE A 17 -4.103 6.055 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.727 4.760 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.428 3.639 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.910 5.522 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.792 4.014 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.691 1.977 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.956 1.975 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.118 2.768 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.493 5.592 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.717 4.169 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.821 5.701 -1.470 1.00 0.00 H new ATOM 283 N LEU A 18 -2.484 3.615 -2.003 1.00 0.00 N ATOM 284 CA LEU A 18 -1.131 3.167 -2.261 1.00 0.00 C ATOM 285 C LEU A 18 -0.834 1.851 -1.563 1.00 0.00 C ATOM 286 O LEU A 18 -1.299 1.595 -0.463 1.00 0.00 O ATOM 287 CB LEU A 18 -0.133 4.238 -1.833 1.00 0.00 C ATOM 288 CG LEU A 18 1.302 4.011 -2.295 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.359 3.930 -3.816 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.192 5.134 -1.779 1.00 0.00 C ATOM 0 H LEU A 18 -2.779 3.578 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.033 2.998 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.472 5.201 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.141 4.305 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 18 1.665 3.066 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.389 3.768 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.739 3.102 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.990 4.862 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.217 4.968 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.835 6.088 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.162 5.151 -0.690 1.00 0.00 H new ATOM 302 N LEU A 19 -0.105 1.005 -2.248 1.00 0.00 N ATOM 303 CA LEU A 19 0.220 -0.318 -1.764 1.00 0.00 C ATOM 304 C LEU A 19 1.677 -0.632 -2.051 1.00 0.00 C ATOM 305 O LEU A 19 2.067 -0.771 -3.194 1.00 0.00 O ATOM 306 CB LEU A 19 -0.694 -1.323 -2.467 1.00 0.00 C ATOM 307 CG LEU A 19 -0.235 -2.782 -2.466 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.110 -3.339 -1.052 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.198 -3.618 -3.280 1.00 0.00 C ATOM 0 H LEU A 19 0.284 1.216 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 19 0.069 -0.374 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.677 -1.275 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.818 -1.005 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 19 0.757 -2.824 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.218 -4.377 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.619 -2.752 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.078 -3.286 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.869 -4.657 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.195 -3.552 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.225 -3.248 -4.305 1.00 0.00 H new ATOM 321 N TYR A 20 2.453 -0.869 -1.022 1.00 0.00 N ATOM 322 CA TYR A 20 3.818 -1.301 -1.233 1.00 0.00 C ATOM 323 C TYR A 20 3.905 -2.809 -1.139 1.00 0.00 C ATOM 324 O TYR A 20 3.583 -3.392 -0.103 1.00 0.00 O ATOM 325 CB TYR A 20 4.765 -0.650 -0.228 1.00 0.00 C ATOM 326 CG TYR A 20 5.133 0.784 -0.551 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.168 1.763 -0.728 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.469 1.148 -0.686 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.525 3.061 -1.032 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.833 2.443 -0.994 1.00 0.00 C ATOM 331 CZ TYR A 20 5.854 3.398 -1.166 1.00 0.00 C ATOM 332 OH TYR A 20 6.202 4.694 -1.477 1.00 0.00 O ATOM 0 H TYR A 20 2.173 -0.773 -0.046 1.00 0.00 H new ATOM 0 HA TYR A 20 4.124 -0.988 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.304 -0.680 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.678 -1.242 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.124 1.507 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.237 0.402 -0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.762 3.813 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.875 2.706 -1.099 1.00 0.00 H new ATOM 0 HH TYR A 20 7.178 4.766 -1.534 1.00 0.00 H new ATOM 342 N MET A 21 4.336 -3.435 -2.224 1.00 0.00 N ATOM 343 CA MET A 21 4.456 -4.876 -2.263 1.00 0.00 C ATOM 344 C MET A 21 5.636 -5.340 -3.118 1.00 0.00 C ATOM 345 O MET A 21 6.516 -4.554 -3.467 1.00 0.00 O ATOM 346 CB MET A 21 3.150 -5.486 -2.753 1.00 0.00 C ATOM 347 CG MET A 21 2.643 -4.970 -4.091 1.00 0.00 C ATOM 348 SD MET A 21 1.075 -5.742 -4.539 1.00 0.00 S ATOM 349 CE MET A 21 0.703 -4.946 -6.099 1.00 0.00 C ATOM 0 H MET A 21 4.607 -2.963 -3.087 1.00 0.00 H new ATOM 0 HA MET A 21 4.657 -5.223 -1.249 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.279 -6.566 -2.826 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.382 -5.307 -2.001 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.518 -3.888 -4.042 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.384 -5.170 -4.865 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.130 -5.627 -6.728 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.120 -4.043 -5.917 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.632 -4.682 -6.604 1.00 0.00 H new ATOM 359 N LYS A 22 5.675 -6.628 -3.434 1.00 0.00 N ATOM 360 CA LYS A 22 6.778 -7.173 -4.210 1.00 0.00 C ATOM 361 C LYS A 22 6.388 -7.217 -5.667 1.00 0.00 C ATOM 362 O LYS A 22 5.715 -8.135 -6.113 1.00 0.00 O ATOM 363 CB LYS A 22 7.174 -8.565 -3.711 1.00 0.00 C ATOM 364 CG LYS A 22 8.386 -9.144 -4.428 1.00 0.00 C ATOM 365 CD LYS A 22 8.871 -10.431 -3.777 1.00 0.00 C ATOM 366 CE LYS A 22 10.102 -10.974 -4.488 1.00 0.00 C ATOM 367 NZ LYS A 22 10.666 -12.170 -3.808 1.00 0.00 N ATOM 0 H LYS A 22 4.963 -7.308 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 22 7.647 -6.527 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.384 -8.513 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.329 -9.242 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.133 -9.338 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.193 -8.411 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.105 -10.246 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.076 -11.176 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.842 -11.232 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.863 -10.195 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.502 -12.503 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.940 -11.920 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.951 -12.924 -3.783 1.00 0.00 H new ATOM 381 N GLY A 23 6.685 -6.132 -6.348 1.00 0.00 N ATOM 382 CA GLY A 23 6.204 -5.942 -7.701 1.00 0.00 C ATOM 383 C GLY A 23 7.175 -6.449 -8.733 1.00 0.00 C ATOM 384 O GLY A 23 7.727 -5.680 -9.519 1.00 0.00 O ATOM 0 H GLY A 23 7.257 -5.368 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.250 -6.456 -7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.018 -4.882 -7.872 1.00 0.00 H new ATOM 388 N SER A 24 7.335 -7.758 -8.753 1.00 0.00 N ATOM 389 CA SER A 24 8.187 -8.416 -9.724 1.00 0.00 C ATOM 390 C SER A 24 7.480 -8.510 -11.074 1.00 0.00 C ATOM 391 O SER A 24 6.267 -8.652 -11.125 1.00 0.00 O ATOM 392 CB SER A 24 8.560 -9.809 -9.217 1.00 0.00 C ATOM 393 OG SER A 24 9.302 -9.727 -8.011 1.00 0.00 O ATOM 0 H SER A 24 6.879 -8.394 -8.098 1.00 0.00 H new ATOM 0 HA SER A 24 9.097 -7.831 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.656 -10.395 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.145 -10.331 -9.974 1.00 0.00 H new ATOM 0 HG SER A 24 9.528 -10.630 -7.704 1.00 0.00 H new ATOM 399 N PRO A 25 8.219 -8.428 -12.193 1.00 0.00 N ATOM 400 CA PRO A 25 7.619 -8.523 -13.531 1.00 0.00 C ATOM 401 C PRO A 25 6.821 -9.819 -13.685 1.00 0.00 C ATOM 402 O PRO A 25 5.717 -9.832 -14.231 1.00 0.00 O ATOM 403 CB PRO A 25 8.830 -8.518 -14.470 1.00 0.00 C ATOM 404 CG PRO A 25 9.923 -7.875 -13.685 1.00 0.00 C ATOM 405 CD PRO A 25 9.679 -8.249 -12.251 1.00 0.00 C ATOM 0 HA PRO A 25 6.917 -7.715 -13.735 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.102 -9.530 -14.769 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.619 -7.961 -15.383 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.900 -8.224 -14.018 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.911 -6.793 -13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.208 -9.162 -11.978 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.016 -7.469 -11.569 1.00 0.00 H new ATOM 413 N LYS A 26 7.382 -10.888 -13.131 1.00 0.00 N ATOM 414 CA LYS A 26 6.750 -12.204 -13.108 1.00 0.00 C ATOM 415 C LYS A 26 5.450 -12.192 -12.296 1.00 0.00 C ATOM 416 O LYS A 26 4.508 -12.926 -12.601 1.00 0.00 O ATOM 417 CB LYS A 26 7.734 -13.225 -12.526 1.00 0.00 C ATOM 418 CG LYS A 26 8.170 -12.899 -11.103 1.00 0.00 C ATOM 419 CD LYS A 26 9.264 -13.828 -10.610 1.00 0.00 C ATOM 420 CE LYS A 26 10.515 -13.697 -11.461 1.00 0.00 C ATOM 421 NZ LYS A 26 11.628 -14.539 -10.962 1.00 0.00 N ATOM 0 H LYS A 26 8.297 -10.866 -12.681 1.00 0.00 H new ATOM 0 HA LYS A 26 6.491 -12.482 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.273 -14.212 -12.540 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.615 -13.276 -13.166 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.524 -11.869 -11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.310 -12.968 -10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.501 -13.597 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.909 -14.858 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.283 -13.977 -12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.832 -12.654 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.459 -14.415 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.869 -14.256 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.338 -15.538 -10.969 1.00 0.00 H new ATOM 435 N LEU A 27 5.423 -11.388 -11.240 1.00 0.00 N ATOM 436 CA LEU A 27 4.268 -11.312 -10.359 1.00 0.00 C ATOM 437 C LEU A 27 4.360 -10.012 -9.561 1.00 0.00 C ATOM 438 O LEU A 27 5.294 -9.839 -8.775 1.00 0.00 O ATOM 439 CB LEU A 27 4.304 -12.502 -9.395 1.00 0.00 C ATOM 440 CG LEU A 27 2.963 -12.955 -8.789 1.00 0.00 C ATOM 441 CD1 LEU A 27 3.189 -14.097 -7.816 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.233 -11.819 -8.097 1.00 0.00 C ATOM 0 H LEU A 27 6.194 -10.776 -10.973 1.00 0.00 H new ATOM 0 HA LEU A 27 3.343 -11.335 -10.934 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.741 -13.351 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.979 -12.253 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 27 2.333 -13.294 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.234 -14.409 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.646 -14.936 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.850 -13.767 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.293 -12.187 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.853 -11.426 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.028 -11.026 -8.817 1.00 0.00 H new ATOM 454 N PRO A 28 3.448 -9.053 -9.797 1.00 0.00 N ATOM 455 CA PRO A 28 3.494 -7.733 -9.150 1.00 0.00 C ATOM 456 C PRO A 28 3.183 -7.760 -7.651 1.00 0.00 C ATOM 457 O PRO A 28 2.996 -6.711 -7.040 1.00 0.00 O ATOM 458 CB PRO A 28 2.423 -6.932 -9.891 1.00 0.00 C ATOM 459 CG PRO A 28 1.518 -7.935 -10.505 1.00 0.00 C ATOM 460 CD PRO A 28 2.354 -9.147 -10.777 1.00 0.00 C ATOM 0 HA PRO A 28 4.498 -7.313 -9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.878 -6.281 -9.207 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.870 -6.292 -10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.692 -8.175 -9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.080 -7.551 -11.426 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.780 -10.065 -10.648 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.733 -9.149 -11.799 1.00 0.00 H new ATOM 468 N SER A 29 3.201 -8.941 -7.056 1.00 0.00 N ATOM 469 CA SER A 29 2.990 -9.093 -5.629 1.00 0.00 C ATOM 470 C SER A 29 3.465 -10.464 -5.159 1.00 0.00 C ATOM 471 O SER A 29 2.728 -11.210 -4.515 1.00 0.00 O ATOM 472 CB SER A 29 1.526 -8.875 -5.307 1.00 0.00 C ATOM 473 OG SER A 29 0.687 -9.669 -6.128 1.00 0.00 O ATOM 0 H SER A 29 3.362 -9.819 -7.549 1.00 0.00 H new ATOM 0 HA SER A 29 3.577 -8.345 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.344 -9.115 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.276 -7.822 -5.441 1.00 0.00 H new ATOM 0 HG SER A 29 0.204 -9.093 -6.757 1.00 0.00 H new ATOM 479 N CYS A 30 4.661 -10.817 -5.598 1.00 0.00 N ATOM 480 CA CYS A 30 5.228 -12.141 -5.371 1.00 0.00 C ATOM 481 C CYS A 30 5.294 -12.509 -3.881 1.00 0.00 C ATOM 482 O CYS A 30 5.094 -13.668 -3.519 1.00 0.00 O ATOM 483 CB CYS A 30 6.622 -12.199 -6.008 1.00 0.00 C ATOM 484 SG CYS A 30 7.450 -13.802 -5.887 1.00 0.00 S ATOM 0 H CYS A 30 5.271 -10.192 -6.125 1.00 0.00 H new ATOM 0 HA CYS A 30 4.572 -12.876 -5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.536 -11.930 -7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.252 -11.445 -5.537 1.00 0.00 H new ATOM 0 HG CYS A 30 8.615 -13.733 -6.459 1.00 0.00 H new ATOM 490 N GLY A 31 5.663 -11.546 -3.040 1.00 0.00 N ATOM 491 CA GLY A 31 5.849 -11.814 -1.616 1.00 0.00 C ATOM 492 C GLY A 31 4.553 -12.063 -0.850 1.00 0.00 C ATOM 493 O GLY A 31 3.687 -12.822 -1.290 1.00 0.00 O ATOM 0 H GLY A 31 5.838 -10.580 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.497 -12.683 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.368 -10.969 -1.164 1.00 0.00 H new ATOM 497 N PHE A 32 4.429 -11.431 0.317 1.00 0.00 N ATOM 498 CA PHE A 32 3.250 -11.600 1.167 1.00 0.00 C ATOM 499 C PHE A 32 2.052 -10.872 0.616 1.00 0.00 C ATOM 500 O PHE A 32 0.938 -11.086 1.045 1.00 0.00 O ATOM 501 CB PHE A 32 3.472 -11.122 2.594 1.00 0.00 C ATOM 502 CG PHE A 32 4.270 -12.054 3.438 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.642 -12.150 3.301 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.630 -12.818 4.395 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.369 -13.007 4.107 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.350 -13.676 5.206 1.00 0.00 C ATOM 507 CZ PHE A 32 5.721 -13.772 5.060 1.00 0.00 C ATOM 0 H PHE A 32 5.132 -10.796 0.696 1.00 0.00 H new ATOM 0 HA PHE A 32 3.066 -12.674 1.177 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.975 -10.155 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.502 -10.963 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.150 -11.552 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.559 -12.744 4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.441 -13.079 3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.842 -14.270 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.286 -14.444 5.689 1.00 0.00 H new ATOM 517 N SER A 33 2.290 -9.950 -0.261 1.00 0.00 N ATOM 518 CA SER A 33 1.227 -9.141 -0.807 1.00 0.00 C ATOM 519 C SER A 33 0.212 -9.956 -1.611 1.00 0.00 C ATOM 520 O SER A 33 -0.865 -9.454 -1.923 1.00 0.00 O ATOM 521 CB SER A 33 1.836 -8.080 -1.665 1.00 0.00 C ATOM 522 OG SER A 33 2.838 -8.630 -2.509 1.00 0.00 O ATOM 0 H SER A 33 3.218 -9.731 -0.623 1.00 0.00 H new ATOM 0 HA SER A 33 0.674 -8.700 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.063 -7.607 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.270 -7.302 -1.037 1.00 0.00 H new ATOM 0 HG SER A 33 3.720 -8.479 -2.110 1.00 0.00 H new ATOM 528 N ALA A 34 0.615 -11.151 -2.042 1.00 0.00 N ATOM 529 CA ALA A 34 -0.197 -11.987 -2.933 1.00 0.00 C ATOM 530 C ALA A 34 -1.663 -12.074 -2.492 1.00 0.00 C ATOM 531 O ALA A 34 -2.566 -11.990 -3.315 1.00 0.00 O ATOM 532 CB ALA A 34 0.405 -13.384 -3.032 1.00 0.00 C ATOM 0 H ALA A 34 1.510 -11.568 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.188 -11.511 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.205 -13.997 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.418 -13.316 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.433 -13.839 -2.042 1.00 0.00 H new ATOM 538 N GLN A 35 -1.901 -12.238 -1.198 1.00 0.00 N ATOM 539 CA GLN A 35 -3.275 -12.323 -0.694 1.00 0.00 C ATOM 540 C GLN A 35 -3.890 -10.925 -0.598 1.00 0.00 C ATOM 541 O GLN A 35 -5.085 -10.735 -0.825 1.00 0.00 O ATOM 542 CB GLN A 35 -3.370 -13.019 0.688 1.00 0.00 C ATOM 543 CG GLN A 35 -2.592 -14.327 0.804 1.00 0.00 C ATOM 544 CD GLN A 35 -1.101 -14.110 0.978 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.307 -15.049 0.926 1.00 0.00 O ATOM 546 NE2 GLN A 35 -0.721 -12.872 1.251 1.00 0.00 N ATOM 0 H GLN A 35 -1.177 -12.314 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.829 -12.934 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.009 -12.330 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.419 -13.217 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.973 -14.897 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.765 -14.928 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.412 -12.122 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.263 -12.668 1.428 1.00 0.00 H new ATOM 555 N ALA A 36 -3.071 -9.966 -0.177 1.00 0.00 N ATOM 556 CA ALA A 36 -3.521 -8.599 0.069 1.00 0.00 C ATOM 557 C ALA A 36 -4.021 -7.931 -1.198 1.00 0.00 C ATOM 558 O ALA A 36 -5.073 -7.291 -1.202 1.00 0.00 O ATOM 559 CB ALA A 36 -2.390 -7.786 0.671 1.00 0.00 C ATOM 0 H ALA A 36 -2.078 -10.114 0.003 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.356 -8.645 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.731 -6.767 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.079 -8.238 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.547 -7.769 -0.019 1.00 0.00 H new ATOM 565 N VAL A 37 -3.254 -8.078 -2.262 1.00 0.00 N ATOM 566 CA VAL A 37 -3.595 -7.487 -3.544 1.00 0.00 C ATOM 567 C VAL A 37 -4.988 -7.927 -3.982 1.00 0.00 C ATOM 568 O VAL A 37 -5.760 -7.137 -4.531 1.00 0.00 O ATOM 569 CB VAL A 37 -2.548 -7.860 -4.622 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.465 -9.363 -4.828 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.847 -7.166 -5.941 1.00 0.00 C ATOM 0 H VAL A 37 -2.382 -8.607 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.592 -6.403 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.580 -7.515 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.720 -9.585 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.180 -9.843 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.436 -9.741 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.095 -7.447 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.833 -7.467 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.827 -6.086 -5.796 1.00 0.00 H new ATOM 581 N GLN A 38 -5.302 -9.189 -3.730 1.00 0.00 N ATOM 582 CA GLN A 38 -6.593 -9.739 -4.093 1.00 0.00 C ATOM 583 C GLN A 38 -7.693 -9.093 -3.265 1.00 0.00 C ATOM 584 O GLN A 38 -8.708 -8.663 -3.802 1.00 0.00 O ATOM 585 CB GLN A 38 -6.620 -11.256 -3.878 1.00 0.00 C ATOM 586 CG GLN A 38 -5.398 -11.988 -4.413 1.00 0.00 C ATOM 587 CD GLN A 38 -5.138 -11.795 -5.903 1.00 0.00 C ATOM 588 OE1 GLN A 38 -4.137 -12.283 -6.422 1.00 0.00 O ATOM 589 NE2 GLN A 38 -6.040 -11.131 -6.611 1.00 0.00 N ATOM 0 H GLN A 38 -4.675 -9.851 -3.273 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.762 -9.529 -5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.711 -11.458 -2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.511 -11.663 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.521 -11.654 -3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.514 -13.053 -4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.861 -10.738 -6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.914 -11.013 -7.616 1.00 0.00 H new ATOM 598 N ALA A 39 -7.477 -9.042 -1.953 1.00 0.00 N ATOM 599 CA ALA A 39 -8.447 -8.470 -1.023 1.00 0.00 C ATOM 600 C ALA A 39 -8.765 -7.016 -1.356 1.00 0.00 C ATOM 601 O ALA A 39 -9.917 -6.598 -1.284 1.00 0.00 O ATOM 602 CB ALA A 39 -7.923 -8.568 0.401 1.00 0.00 C ATOM 0 H ALA A 39 -6.630 -9.394 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.369 -9.043 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.653 -8.139 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.756 -9.615 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.984 -8.021 0.482 1.00 0.00 H new ATOM 608 N LEU A 40 -7.728 -6.236 -1.633 1.00 0.00 N ATOM 609 CA LEU A 40 -7.884 -4.803 -1.874 1.00 0.00 C ATOM 610 C LEU A 40 -8.777 -4.568 -3.082 1.00 0.00 C ATOM 611 O LEU A 40 -9.795 -3.882 -2.999 1.00 0.00 O ATOM 612 CB LEU A 40 -6.518 -4.189 -2.163 1.00 0.00 C ATOM 613 CG LEU A 40 -6.326 -2.714 -1.762 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.942 -2.232 -2.170 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.394 -1.812 -2.365 1.00 0.00 C ATOM 0 H LEU A 40 -6.767 -6.570 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.331 -4.347 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.762 -4.783 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.323 -4.280 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.424 -2.658 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.820 -1.188 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.184 -2.837 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.828 -2.325 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.218 -0.782 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.353 -1.876 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.377 -2.132 -2.020 1.00 0.00 H new ATOM 627 N ALA A 41 -8.383 -5.168 -4.197 1.00 0.00 N ATOM 628 CA ALA A 41 -9.130 -5.060 -5.435 1.00 0.00 C ATOM 629 C ALA A 41 -10.526 -5.631 -5.256 1.00 0.00 C ATOM 630 O ALA A 41 -11.480 -5.196 -5.897 1.00 0.00 O ATOM 631 CB ALA A 41 -8.397 -5.777 -6.561 1.00 0.00 C ATOM 0 H ALA A 41 -7.541 -5.739 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.218 -4.007 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.970 -5.687 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.414 -5.327 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.282 -6.831 -6.307 1.00 0.00 H new ATOM 637 N ALA A 42 -10.619 -6.641 -4.404 1.00 0.00 N ATOM 638 CA ALA A 42 -11.888 -7.319 -4.161 1.00 0.00 C ATOM 639 C ALA A 42 -12.857 -6.437 -3.387 1.00 0.00 C ATOM 640 O ALA A 42 -14.043 -6.368 -3.717 1.00 0.00 O ATOM 641 CB ALA A 42 -11.670 -8.630 -3.418 1.00 0.00 C ATOM 0 H ALA A 42 -9.833 -7.010 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.329 -7.534 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.631 -9.116 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.032 -9.284 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.191 -8.430 -2.460 1.00 0.00 H new ATOM 647 N CYS A 43 -12.374 -5.825 -2.314 1.00 0.00 N ATOM 648 CA CYS A 43 -13.236 -5.026 -1.462 1.00 0.00 C ATOM 649 C CYS A 43 -13.527 -3.665 -2.095 1.00 0.00 C ATOM 650 O CYS A 43 -14.681 -3.241 -2.179 1.00 0.00 O ATOM 651 CB CYS A 43 -12.616 -4.857 -0.073 1.00 0.00 C ATOM 652 SG CYS A 43 -11.017 -4.015 -0.047 1.00 0.00 S ATOM 0 H CYS A 43 -11.399 -5.867 -2.017 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.184 -5.554 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -13.313 -4.301 0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.498 -5.842 0.378 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.084 -4.843 -0.414 1.00 0.00 H new ATOM 658 N GLY A 44 -12.465 -2.977 -2.497 1.00 0.00 N ATOM 659 CA GLY A 44 -12.594 -1.653 -3.071 1.00 0.00 C ATOM 660 C GLY A 44 -12.458 -1.624 -4.574 1.00 0.00 C ATOM 661 O GLY A 44 -13.045 -2.441 -5.289 1.00 0.00 O ATOM 0 H GLY A 44 -11.506 -3.319 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.565 -1.241 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.836 -1.003 -2.634 1.00 0.00 H new ATOM 665 N GLU A 45 -11.681 -0.661 -5.051 1.00 0.00 N ATOM 666 CA GLU A 45 -11.454 -0.483 -6.473 1.00 0.00 C ATOM 667 C GLU A 45 -9.952 -0.413 -6.774 1.00 0.00 C ATOM 668 O GLU A 45 -9.137 -1.008 -6.066 1.00 0.00 O ATOM 669 CB GLU A 45 -12.161 0.770 -7.009 1.00 0.00 C ATOM 670 CG GLU A 45 -11.610 2.081 -6.473 1.00 0.00 C ATOM 671 CD GLU A 45 -12.088 3.266 -7.281 1.00 0.00 C ATOM 672 OE1 GLU A 45 -11.923 3.241 -8.524 1.00 0.00 O ATOM 673 OE2 GLU A 45 -12.554 4.255 -6.695 1.00 0.00 O ATOM 0 H GLU A 45 -11.193 0.015 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.878 -1.348 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.087 0.777 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.221 0.708 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.914 2.204 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.521 2.049 -6.485 1.00 0.00 H new ATOM 680 N ARG A 46 -9.603 0.289 -7.850 1.00 0.00 N ATOM 681 CA ARG A 46 -8.227 0.428 -8.290 1.00 0.00 C ATOM 682 C ARG A 46 -7.369 1.180 -7.299 1.00 0.00 C ATOM 683 O ARG A 46 -7.863 1.942 -6.467 1.00 0.00 O ATOM 684 CB ARG A 46 -8.179 1.087 -9.661 1.00 0.00 C ATOM 685 CG ARG A 46 -8.627 0.150 -10.758 1.00 0.00 C ATOM 686 CD ARG A 46 -7.673 -1.025 -10.851 1.00 0.00 C ATOM 687 NE ARG A 46 -8.026 -1.969 -11.903 1.00 0.00 N ATOM 688 CZ ARG A 46 -7.338 -3.082 -12.149 1.00 0.00 C ATOM 689 NH1 ARG A 46 -6.254 -3.361 -11.430 1.00 0.00 N ATOM 690 NH2 ARG A 46 -7.724 -3.905 -13.114 1.00 0.00 N ATOM 0 H ARG A 46 -10.275 0.778 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.808 -0.576 -8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.814 1.973 -9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.163 1.424 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.637 -0.205 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.660 0.680 -11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.664 -0.652 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.655 -1.547 -9.894 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.842 -1.767 -12.481 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.953 -2.723 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.724 -4.213 -11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.550 -3.686 -13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.195 -4.757 -13.300 1.00 0.00 H new ATOM 704 N PHE A 47 -6.100 0.832 -7.304 1.00 0.00 N ATOM 705 CA PHE A 47 -5.169 1.318 -6.319 1.00 0.00 C ATOM 706 C PHE A 47 -3.781 1.415 -6.929 1.00 0.00 C ATOM 707 O PHE A 47 -3.464 0.703 -7.885 1.00 0.00 O ATOM 708 CB PHE A 47 -5.171 0.371 -5.116 1.00 0.00 C ATOM 709 CG PHE A 47 -4.700 -1.031 -5.425 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.354 -1.305 -5.634 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.611 -2.076 -5.505 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.929 -2.588 -5.916 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.189 -3.362 -5.787 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.847 -3.618 -5.990 1.00 0.00 C ATOM 0 H PHE A 47 -5.688 0.203 -7.994 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.465 2.312 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.535 0.791 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.181 0.321 -4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.631 -0.505 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.661 -1.882 -5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.880 -2.786 -6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.908 -4.166 -5.848 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.515 -4.623 -6.206 1.00 0.00 H new ATOM 724 N ALA A 48 -2.945 2.244 -6.344 1.00 0.00 N ATOM 725 CA ALA A 48 -1.570 2.366 -6.786 1.00 0.00 C ATOM 726 C ALA A 48 -0.683 1.531 -5.894 1.00 0.00 C ATOM 727 O ALA A 48 -1.008 1.308 -4.734 1.00 0.00 O ATOM 728 CB ALA A 48 -1.114 3.815 -6.804 1.00 0.00 C ATOM 0 H ALA A 48 -3.193 2.846 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.499 1.999 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.079 3.866 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.745 4.387 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.190 4.233 -5.800 1.00 0.00 H new ATOM 734 N TYR A 49 0.369 0.981 -6.455 1.00 0.00 N ATOM 735 CA TYR A 49 1.211 0.072 -5.718 1.00 0.00 C ATOM 736 C TYR A 49 2.667 0.390 -6.030 1.00 0.00 C ATOM 737 O TYR A 49 2.984 0.894 -7.111 1.00 0.00 O ATOM 738 CB TYR A 49 0.884 -1.385 -6.091 1.00 0.00 C ATOM 739 CG TYR A 49 1.597 -1.890 -7.321 1.00 0.00 C ATOM 740 CD1 TYR A 49 2.922 -2.288 -7.231 1.00 0.00 C ATOM 741 CD2 TYR A 49 0.974 -1.952 -8.557 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.610 -2.735 -8.330 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.656 -2.406 -9.671 1.00 0.00 C ATOM 744 CZ TYR A 49 2.976 -2.797 -9.549 1.00 0.00 C ATOM 745 OH TYR A 49 3.666 -3.244 -10.653 1.00 0.00 O ATOM 0 H TYR A 49 0.661 1.148 -7.418 1.00 0.00 H new ATOM 0 HA TYR A 49 1.033 0.192 -4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.139 -2.028 -5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.191 -1.475 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.423 -2.245 -6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.056 -1.642 -8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.643 -3.036 -8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.161 -2.455 -10.629 1.00 0.00 H new ATOM 0 HH TYR A 49 3.076 -3.229 -11.436 1.00 0.00 H new ATOM 755 N VAL A 50 3.548 0.076 -5.104 1.00 0.00 N ATOM 756 CA VAL A 50 4.963 0.293 -5.295 1.00 0.00 C ATOM 757 C VAL A 50 5.731 -0.970 -4.955 1.00 0.00 C ATOM 758 O VAL A 50 5.597 -1.513 -3.858 1.00 0.00 O ATOM 759 CB VAL A 50 5.484 1.444 -4.409 1.00 0.00 C ATOM 760 CG1 VAL A 50 6.962 1.693 -4.665 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.670 2.711 -4.634 1.00 0.00 C ATOM 0 H VAL A 50 3.304 -0.335 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 50 5.116 0.559 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 50 5.367 1.151 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.309 2.508 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.528 0.790 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.110 1.960 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.055 3.509 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.745 3.011 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.626 2.522 -4.385 1.00 0.00 H new ATOM 771 N ASP A 51 6.591 -1.386 -5.867 1.00 0.00 N ATOM 772 CA ASP A 51 7.455 -2.524 -5.627 1.00 0.00 C ATOM 773 C ASP A 51 8.579 -2.145 -4.673 1.00 0.00 C ATOM 774 O ASP A 51 9.124 -1.045 -4.744 1.00 0.00 O ATOM 775 CB ASP A 51 7.994 -3.103 -6.947 1.00 0.00 C ATOM 776 CG ASP A 51 8.690 -2.088 -7.836 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.751 -1.562 -7.452 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.163 -1.804 -8.930 1.00 0.00 O ATOM 0 H ASP A 51 6.709 -0.951 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 51 6.867 -3.310 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.692 -3.908 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.166 -3.546 -7.501 1.00 0.00 H new ATOM 783 N ILE A 52 8.832 -3.014 -3.707 1.00 0.00 N ATOM 784 CA ILE A 52 9.798 -2.734 -2.649 1.00 0.00 C ATOM 785 C ILE A 52 10.435 -3.996 -2.094 1.00 0.00 C ATOM 786 O ILE A 52 11.642 -4.029 -1.929 1.00 0.00 O ATOM 787 CB ILE A 52 9.226 -1.867 -1.506 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.721 -2.033 -1.379 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.600 -0.417 -1.690 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.298 -3.373 -0.858 1.00 0.00 C ATOM 0 H ILE A 52 8.380 -3.925 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 52 10.578 -2.147 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 52 9.672 -2.215 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.335 -1.258 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.264 -1.874 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.185 0.172 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.686 -0.319 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.200 -0.055 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.210 -3.413 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.652 -4.154 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.724 -3.529 0.133 1.00 0.00 H new ATOM 802 N LEU A 53 9.675 -5.090 -1.973 1.00 0.00 N ATOM 803 CA LEU A 53 10.296 -6.376 -1.630 1.00 0.00 C ATOM 804 C LEU A 53 11.239 -6.809 -2.752 1.00 0.00 C ATOM 805 O LEU A 53 12.019 -7.745 -2.604 1.00 0.00 O ATOM 806 CB LEU A 53 9.282 -7.502 -1.350 1.00 0.00 C ATOM 807 CG LEU A 53 8.358 -7.316 -0.140 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.065 -6.569 0.969 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.058 -6.636 -0.523 1.00 0.00 C ATOM 0 H LEU A 53 8.664 -5.115 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 53 10.844 -6.213 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.660 -7.627 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.835 -8.431 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 53 8.101 -8.308 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.389 -6.450 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.945 -7.131 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.372 -5.587 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.432 -6.523 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.272 -5.654 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.535 -7.242 -1.263 1.00 0.00 H new ATOM 821 N GLN A 54 11.142 -6.111 -3.875 1.00 0.00 N ATOM 822 CA GLN A 54 11.956 -6.387 -5.042 1.00 0.00 C ATOM 823 C GLN A 54 13.193 -5.474 -5.064 1.00 0.00 C ATOM 824 O GLN A 54 14.306 -5.943 -5.295 1.00 0.00 O ATOM 825 CB GLN A 54 11.077 -6.240 -6.306 1.00 0.00 C ATOM 826 CG GLN A 54 11.798 -6.472 -7.630 1.00 0.00 C ATOM 827 CD GLN A 54 12.521 -5.245 -8.159 1.00 0.00 C ATOM 828 OE1 GLN A 54 13.285 -5.332 -9.117 1.00 0.00 O ATOM 829 NE2 GLN A 54 12.229 -4.087 -7.586 1.00 0.00 N ATOM 0 H GLN A 54 10.492 -5.335 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 54 12.334 -7.409 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.247 -6.943 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.647 -5.238 -6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.518 -7.280 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.074 -6.804 -8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.589 -4.058 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.644 -3.224 -7.939 1.00 0.00 H new ATOM 838 N ASN A 55 13.015 -4.193 -4.727 1.00 0.00 N ATOM 839 CA ASN A 55 14.152 -3.263 -4.614 1.00 0.00 C ATOM 840 C ASN A 55 14.903 -3.502 -3.318 1.00 0.00 C ATOM 841 O ASN A 55 14.301 -3.570 -2.259 1.00 0.00 O ATOM 842 CB ASN A 55 13.690 -1.804 -4.642 1.00 0.00 C ATOM 843 CG ASN A 55 12.926 -1.445 -5.895 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.427 -1.575 -7.012 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.705 -0.984 -5.719 1.00 0.00 N ATOM 0 H ASN A 55 12.106 -3.776 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 55 14.803 -3.448 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.060 -1.612 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.560 -1.153 -4.555 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.138 -0.720 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.326 -0.891 -4.777 1.00 0.00 H new ATOM 852 N PRO A 56 16.230 -3.612 -3.370 1.00 0.00 N ATOM 853 CA PRO A 56 17.045 -3.816 -2.180 1.00 0.00 C ATOM 854 C PRO A 56 17.054 -2.592 -1.262 1.00 0.00 C ATOM 855 O PRO A 56 17.018 -2.718 -0.037 1.00 0.00 O ATOM 856 CB PRO A 56 18.452 -4.083 -2.735 1.00 0.00 C ATOM 857 CG PRO A 56 18.254 -4.343 -4.188 1.00 0.00 C ATOM 858 CD PRO A 56 17.054 -3.530 -4.572 1.00 0.00 C ATOM 0 HA PRO A 56 16.660 -4.630 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.108 -3.228 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.915 -4.937 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.131 -4.047 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.089 -5.403 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.320 -2.501 -4.814 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.545 -3.942 -5.444 1.00 0.00 H new ATOM 866 N ASP A 57 17.211 -1.418 -1.865 1.00 0.00 N ATOM 867 CA ASP A 57 17.365 -0.169 -1.109 1.00 0.00 C ATOM 868 C ASP A 57 16.047 0.382 -0.548 1.00 0.00 C ATOM 869 O ASP A 57 15.958 0.646 0.652 1.00 0.00 O ATOM 870 CB ASP A 57 18.095 0.882 -1.963 1.00 0.00 C ATOM 871 CG ASP A 57 17.563 0.984 -3.382 1.00 0.00 C ATOM 872 OD1 ASP A 57 16.376 1.296 -3.570 1.00 0.00 O ATOM 873 OD2 ASP A 57 18.338 0.725 -4.323 1.00 0.00 O ATOM 0 H ASP A 57 17.236 -1.300 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 57 17.972 -0.406 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 57 18.008 1.855 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.157 0.637 -1.998 1.00 0.00 H new ATOM 878 N ILE A 58 15.056 0.609 -1.406 1.00 0.00 N ATOM 879 CA ILE A 58 13.780 1.197 -0.981 1.00 0.00 C ATOM 880 C ILE A 58 13.100 0.304 0.061 1.00 0.00 C ATOM 881 O ILE A 58 12.415 0.783 0.960 1.00 0.00 O ATOM 882 CB ILE A 58 12.827 1.424 -2.180 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.528 2.221 -3.283 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.587 2.178 -1.726 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.672 2.450 -4.513 1.00 0.00 C ATOM 0 H ILE A 58 15.108 0.396 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 58 14.000 2.167 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 58 12.538 0.450 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.835 3.187 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.436 1.695 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.923 2.333 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.069 1.599 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.879 3.144 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.238 3.021 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.386 1.489 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.776 3.004 -4.234 1.00 0.00 H new ATOM 897 N ARG A 59 13.305 -0.995 -0.079 1.00 0.00 N ATOM 898 CA ARG A 59 12.737 -1.998 0.817 1.00 0.00 C ATOM 899 C ARG A 59 13.022 -1.687 2.290 1.00 0.00 C ATOM 900 O ARG A 59 12.271 -2.102 3.166 1.00 0.00 O ATOM 901 CB ARG A 59 13.328 -3.360 0.455 1.00 0.00 C ATOM 902 CG ARG A 59 12.754 -4.551 1.208 1.00 0.00 C ATOM 903 CD ARG A 59 13.368 -5.841 0.683 1.00 0.00 C ATOM 904 NE ARG A 59 12.827 -7.037 1.324 1.00 0.00 N ATOM 905 CZ ARG A 59 13.200 -8.278 1.007 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.098 -8.490 0.050 1.00 0.00 N ATOM 907 NH2 ARG A 59 12.665 -9.309 1.643 1.00 0.00 N ATOM 0 H ARG A 59 13.876 -1.391 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 59 11.654 -1.997 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.184 -3.525 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.403 -3.327 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.956 -4.450 2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.671 -4.579 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.200 -5.905 -0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.447 -5.811 0.836 1.00 0.00 H new ATOM 0 HE ARG A 59 12.125 -6.917 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.508 -7.700 -0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.377 -9.442 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.970 -9.153 2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.948 -10.259 1.403 1.00 0.00 H new ATOM 921 N ALA A 60 14.204 -1.147 2.559 1.00 0.00 N ATOM 922 CA ALA A 60 14.687 -1.009 3.930 1.00 0.00 C ATOM 923 C ALA A 60 14.235 0.270 4.649 1.00 0.00 C ATOM 924 O ALA A 60 14.147 0.265 5.865 1.00 0.00 O ATOM 925 CB ALA A 60 16.206 -1.090 3.943 1.00 0.00 C ATOM 0 H ALA A 60 14.846 -0.797 1.848 1.00 0.00 H new ATOM 0 HA ALA A 60 14.238 -1.833 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.567 -0.987 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.522 -2.053 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.618 -0.288 3.330 1.00 0.00 H new ATOM 931 N GLU A 61 14.314 1.402 3.960 1.00 0.00 N ATOM 932 CA GLU A 61 14.316 2.709 4.641 1.00 0.00 C ATOM 933 C GLU A 61 12.946 3.197 5.133 1.00 0.00 C ATOM 934 O GLU A 61 12.792 3.500 6.316 1.00 0.00 O ATOM 935 CB GLU A 61 14.895 3.730 3.669 1.00 0.00 C ATOM 936 CG GLU A 61 16.303 3.372 3.230 1.00 0.00 C ATOM 937 CD GLU A 61 16.794 4.186 2.054 1.00 0.00 C ATOM 938 OE1 GLU A 61 15.984 4.884 1.430 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.995 4.078 1.718 1.00 0.00 O ATOM 0 H GLU A 61 14.377 1.452 2.943 1.00 0.00 H new ATOM 0 HA GLU A 61 14.912 2.592 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.250 3.801 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.902 4.713 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.984 3.514 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.336 2.314 2.968 1.00 0.00 H new ATOM 946 N LEU A 62 11.986 3.377 4.231 1.00 0.00 N ATOM 947 CA LEU A 62 10.691 3.954 4.625 1.00 0.00 C ATOM 948 C LEU A 62 9.840 3.032 5.515 1.00 0.00 C ATOM 949 O LEU A 62 9.081 3.539 6.335 1.00 0.00 O ATOM 950 CB LEU A 62 9.831 4.430 3.444 1.00 0.00 C ATOM 951 CG LEU A 62 9.373 3.340 2.478 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.183 3.806 1.665 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.501 2.964 1.552 1.00 0.00 C ATOM 0 H LEU A 62 12.069 3.140 3.242 1.00 0.00 H new ATOM 0 HA LEU A 62 10.988 4.825 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.949 4.933 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.397 5.173 2.882 1.00 0.00 H new ATOM 0 HG LEU A 62 9.077 2.469 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.875 3.013 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.358 4.051 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.459 4.690 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.165 2.186 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.812 3.840 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.343 2.594 2.136 1.00 0.00 H new ATOM 965 N PRO A 63 9.900 1.683 5.387 1.00 0.00 N ATOM 966 CA PRO A 63 9.085 0.796 6.224 1.00 0.00 C ATOM 967 C PRO A 63 9.321 1.087 7.693 1.00 0.00 C ATOM 968 O PRO A 63 8.379 1.202 8.481 1.00 0.00 O ATOM 969 CB PRO A 63 9.582 -0.608 5.872 1.00 0.00 C ATOM 970 CG PRO A 63 10.880 -0.392 5.185 1.00 0.00 C ATOM 971 CD PRO A 63 10.727 0.905 4.460 1.00 0.00 C ATOM 0 HA PRO A 63 8.016 0.921 6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.705 -1.219 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.874 -1.127 5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.702 -0.349 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.100 -1.206 4.494 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.689 1.383 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.242 0.776 3.492 1.00 0.00 H new ATOM 979 N LYS A 64 10.590 1.308 8.010 1.00 0.00 N ATOM 980 CA LYS A 64 11.025 1.710 9.331 1.00 0.00 C ATOM 981 C LYS A 64 10.246 2.916 9.831 1.00 0.00 C ATOM 982 O LYS A 64 9.896 2.995 11.007 1.00 0.00 O ATOM 983 CB LYS A 64 12.503 2.028 9.255 1.00 0.00 C ATOM 984 CG LYS A 64 13.326 0.802 8.924 1.00 0.00 C ATOM 985 CD LYS A 64 14.726 1.168 8.478 1.00 0.00 C ATOM 986 CE LYS A 64 15.454 2.053 9.464 1.00 0.00 C ATOM 987 NZ LYS A 64 15.642 1.396 10.783 1.00 0.00 N ATOM 0 H LYS A 64 11.354 1.210 7.342 1.00 0.00 H new ATOM 0 HA LYS A 64 10.843 0.901 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.671 2.794 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.835 2.442 10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.381 0.154 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.831 0.233 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.302 0.255 8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.672 1.676 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.427 2.325 9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.895 2.979 9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.145 2.042 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.714 1.160 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.198 0.526 10.661 1.00 0.00 H new ATOM 1001 N TYR A 65 9.978 3.852 8.930 1.00 0.00 N ATOM 1002 CA TYR A 65 9.237 5.041 9.288 1.00 0.00 C ATOM 1003 C TYR A 65 7.776 4.687 9.552 1.00 0.00 C ATOM 1004 O TYR A 65 7.159 5.255 10.453 1.00 0.00 O ATOM 1005 CB TYR A 65 9.411 6.154 8.215 1.00 0.00 C ATOM 1006 CG TYR A 65 8.229 6.461 7.290 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.006 6.899 7.797 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.351 6.347 5.903 1.00 0.00 C ATOM 1009 CE1 TYR A 65 5.952 7.208 6.965 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.291 6.650 5.064 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.097 7.081 5.605 1.00 0.00 C ATOM 1012 OH TYR A 65 5.050 7.405 4.778 1.00 0.00 O ATOM 0 H TYR A 65 10.264 3.806 7.952 1.00 0.00 H new ATOM 0 HA TYR A 65 9.640 5.451 10.214 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.677 7.076 8.732 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.261 5.883 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.882 6.998 8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.287 6.017 5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.015 7.549 7.381 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.398 6.550 3.994 1.00 0.00 H new ATOM 0 HH TYR A 65 4.304 6.789 4.938 1.00 0.00 H new ATOM 1022 N ALA A 66 7.178 3.829 8.713 1.00 0.00 N ATOM 1023 CA ALA A 66 5.758 3.566 8.867 1.00 0.00 C ATOM 1024 C ALA A 66 5.457 2.670 10.065 1.00 0.00 C ATOM 1025 O ALA A 66 4.862 3.130 11.037 1.00 0.00 O ATOM 1026 CB ALA A 66 5.248 2.901 7.610 1.00 0.00 C ATOM 0 H ALA A 66 7.640 3.328 7.954 1.00 0.00 H new ATOM 0 HA ALA A 66 5.259 4.520 9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.182 2.698 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.411 3.560 6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.782 1.964 7.452 1.00 0.00 H new ATOM 1032 N ASN A 67 6.039 1.474 10.084 1.00 0.00 N ATOM 1033 CA ASN A 67 6.007 0.619 11.269 1.00 0.00 C ATOM 1034 C ASN A 67 6.843 -0.633 11.014 1.00 0.00 C ATOM 1035 O ASN A 67 7.727 -1.000 11.791 1.00 0.00 O ATOM 1036 CB ASN A 67 4.565 0.243 11.636 1.00 0.00 C ATOM 1037 CG ASN A 67 4.451 -0.534 12.939 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.989 -1.633 13.084 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.743 0.040 13.901 1.00 0.00 N ATOM 0 H ASN A 67 6.540 1.073 9.291 1.00 0.00 H new ATOM 0 HA ASN A 67 6.429 1.167 12.112 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.969 1.153 11.712 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.137 -0.352 10.829 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.629 -0.429 14.799 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.313 0.951 13.743 1.00 0.00 H new ATOM 1046 N TRP A 68 6.471 -1.300 9.919 1.00 0.00 N ATOM 1047 CA TRP A 68 7.055 -2.568 9.480 1.00 0.00 C ATOM 1048 C TRP A 68 8.560 -2.496 9.265 1.00 0.00 C ATOM 1049 O TRP A 68 9.077 -1.503 8.779 1.00 0.00 O ATOM 1050 CB TRP A 68 6.419 -3.009 8.157 1.00 0.00 C ATOM 1051 CG TRP A 68 5.079 -3.675 8.252 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.776 -4.897 7.735 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.867 -3.180 8.842 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.465 -5.207 7.979 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.886 -4.175 8.661 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.512 -2.012 9.518 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.581 -4.031 9.120 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.213 -1.871 9.973 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.264 -2.877 9.778 1.00 0.00 C ATOM 0 H TRP A 68 5.736 -0.964 9.297 1.00 0.00 H new ATOM 0 HA TRP A 68 6.856 -3.280 10.281 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.321 -2.133 7.516 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.106 -3.693 7.659 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.472 -5.532 7.207 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.997 -6.068 7.697 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.239 -1.231 9.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.844 -4.805 8.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.927 -0.966 10.489 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.261 -2.740 10.154 1.00 0.00 H new ATOM 1070 N PRO A 69 9.270 -3.609 9.501 1.00 0.00 N ATOM 1071 CA PRO A 69 10.694 -3.711 9.178 1.00 0.00 C ATOM 1072 C PRO A 69 10.908 -3.569 7.670 1.00 0.00 C ATOM 1073 O PRO A 69 11.869 -2.951 7.212 1.00 0.00 O ATOM 1074 CB PRO A 69 11.085 -5.122 9.646 1.00 0.00 C ATOM 1075 CG PRO A 69 9.936 -5.609 10.470 1.00 0.00 C ATOM 1076 CD PRO A 69 8.721 -4.894 9.960 1.00 0.00 C ATOM 0 HA PRO A 69 11.291 -2.932 9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.264 -5.781 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.004 -5.100 10.231 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.820 -6.689 10.376 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.097 -5.396 11.527 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.240 -5.441 9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.973 -4.759 10.741 1.00 0.00 H new ATOM 1084 N THR A 70 9.956 -4.113 6.921 1.00 0.00 N ATOM 1085 CA THR A 70 9.931 -4.041 5.465 1.00 0.00 C ATOM 1086 C THR A 70 8.483 -3.889 4.998 1.00 0.00 C ATOM 1087 O THR A 70 7.765 -3.027 5.484 1.00 0.00 O ATOM 1088 CB THR A 70 10.575 -5.289 4.830 1.00 0.00 C ATOM 1089 OG1 THR A 70 9.950 -6.479 5.334 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.070 -5.340 5.111 1.00 0.00 C ATOM 0 H THR A 70 9.167 -4.625 7.315 1.00 0.00 H new ATOM 0 HA THR A 70 10.513 -3.177 5.145 1.00 0.00 H new ATOM 0 HB THR A 70 10.428 -5.229 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.365 -7.266 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.497 -6.231 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.549 -4.453 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.237 -5.373 6.188 1.00 0.00 H new ATOM 1098 N PHE A 71 8.038 -4.732 4.078 1.00 0.00 N ATOM 1099 CA PHE A 71 6.664 -4.665 3.597 1.00 0.00 C ATOM 1100 C PHE A 71 6.132 -6.098 3.449 1.00 0.00 C ATOM 1101 O PHE A 71 6.801 -7.026 3.905 1.00 0.00 O ATOM 1102 CB PHE A 71 6.620 -3.898 2.263 1.00 0.00 C ATOM 1103 CG PHE A 71 7.260 -2.532 2.311 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.637 -2.401 2.279 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.486 -1.385 2.366 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.227 -1.160 2.310 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.075 -0.136 2.395 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.444 -0.025 2.366 1.00 0.00 C ATOM 0 H PHE A 71 8.603 -5.466 3.651 1.00 0.00 H new ATOM 0 HA PHE A 71 6.030 -4.128 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.119 -4.493 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.580 -3.789 1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.256 -3.285 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.409 -1.468 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.303 -1.073 2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.461 0.751 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.907 0.950 2.387 1.00 0.00 H new ATOM 1118 N PRO A 72 4.971 -6.356 2.792 1.00 0.00 N ATOM 1119 CA PRO A 72 4.077 -5.349 2.189 1.00 0.00 C ATOM 1120 C PRO A 72 3.383 -4.446 3.206 1.00 0.00 C ATOM 1121 O PRO A 72 3.050 -4.869 4.314 1.00 0.00 O ATOM 1122 CB PRO A 72 3.042 -6.183 1.431 1.00 0.00 C ATOM 1123 CG PRO A 72 3.030 -7.497 2.123 1.00 0.00 C ATOM 1124 CD PRO A 72 4.427 -7.718 2.632 1.00 0.00 C ATOM 0 HA PRO A 72 4.645 -4.661 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.059 -5.713 1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.314 -6.292 0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.312 -7.498 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.734 -8.293 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.426 -8.260 3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.019 -8.304 1.929 1.00 0.00 H new ATOM 1132 N GLN A 73 3.081 -3.227 2.775 1.00 0.00 N ATOM 1133 CA GLN A 73 2.326 -2.280 3.586 1.00 0.00 C ATOM 1134 C GLN A 73 1.329 -1.549 2.702 1.00 0.00 C ATOM 1135 O GLN A 73 1.687 -1.031 1.645 1.00 0.00 O ATOM 1136 CB GLN A 73 3.222 -1.223 4.220 1.00 0.00 C ATOM 1137 CG GLN A 73 4.401 -1.735 5.024 1.00 0.00 C ATOM 1138 CD GLN A 73 5.235 -0.587 5.579 1.00 0.00 C ATOM 1139 OE1 GLN A 73 6.234 -0.791 6.249 1.00 0.00 O ATOM 1140 NE2 GLN A 73 4.820 0.641 5.305 1.00 0.00 N ATOM 0 H GLN A 73 3.351 -2.869 1.859 1.00 0.00 H new ATOM 0 HA GLN A 73 1.835 -2.852 4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.602 -0.578 3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.608 -0.601 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.042 -2.356 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.025 -2.369 4.394 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.981 0.782 4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.339 1.445 5.657 1.00 0.00 H new ATOM 1149 N LEU A 74 0.097 -1.468 3.161 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.951 -0.749 2.453 1.00 0.00 C ATOM 1151 C LEU A 74 -1.072 0.666 3.015 1.00 0.00 C ATOM 1152 O LEU A 74 -1.048 0.859 4.233 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.265 -1.536 2.572 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.490 -1.017 1.791 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -4.054 0.258 2.397 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.127 -0.783 0.337 1.00 0.00 C ATOM 0 H LEU A 74 -0.209 -1.897 4.034 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.708 -0.658 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.072 -2.559 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.535 -1.579 3.627 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.263 -1.783 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.915 0.587 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.362 0.067 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.290 1.035 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.001 -0.417 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.327 -0.045 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.791 -1.719 -0.109 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.219 1.639 2.124 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.367 3.031 2.512 1.00 0.00 C ATOM 1170 C TRP A 75 -2.660 3.617 1.955 1.00 0.00 C ATOM 1171 O TRP A 75 -2.963 3.489 0.770 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.186 3.864 2.019 1.00 0.00 C ATOM 1173 CG TRP A 75 1.122 3.473 2.620 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.904 2.397 2.306 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.769 4.141 3.695 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.026 2.392 3.102 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.956 3.449 3.967 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.460 5.276 4.445 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.832 3.853 4.963 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.329 5.674 5.436 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.502 4.964 5.687 1.00 0.00 C ATOM 0 H TRP A 75 -1.239 1.483 1.116 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.398 3.063 3.601 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.118 3.774 0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.377 4.914 2.240 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.676 1.662 1.548 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.785 1.712 3.055 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.555 5.833 4.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.744 3.308 5.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.099 6.548 6.027 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.165 5.299 6.471 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.396 4.294 2.813 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.634 4.943 2.420 1.00 0.00 C ATOM 1194 C VAL A 76 -4.514 6.445 2.645 1.00 0.00 C ATOM 1195 O VAL A 76 -4.286 6.865 3.779 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.803 4.403 3.268 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.119 5.049 2.881 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.893 2.899 3.142 1.00 0.00 C ATOM 0 H VAL A 76 -3.156 4.411 3.798 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.822 4.738 1.366 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.605 4.659 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.919 4.643 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.054 6.126 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.331 4.842 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.723 2.532 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.057 2.630 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.964 2.448 3.490 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.650 7.248 1.578 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.539 8.715 1.690 1.00 0.00 C ATOM 1210 C ASP A 77 -3.184 9.094 2.301 1.00 0.00 C ATOM 1211 O ASP A 77 -2.997 10.148 2.910 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.694 9.206 2.553 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.726 10.702 2.813 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -5.890 11.481 1.855 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.626 11.104 3.990 1.00 0.00 O ATOM 0 H ASP A 77 -4.836 6.911 0.633 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.594 9.184 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.630 8.918 2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.654 8.689 3.512 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.245 8.195 2.108 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.896 8.369 2.611 1.00 0.00 C ATOM 1222 C GLY A 78 -0.758 8.019 4.083 1.00 0.00 C ATOM 1223 O GLY A 78 0.151 8.507 4.758 1.00 0.00 O ATOM 0 H GLY A 78 -2.392 7.323 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.215 7.746 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.589 9.404 2.460 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.600 7.108 4.560 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.505 6.620 5.932 1.00 0.00 C ATOM 1229 C GLU A 79 -1.444 5.101 5.967 1.00 0.00 C ATOM 1230 O GLU A 79 -2.137 4.427 5.207 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.666 7.110 6.793 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.719 8.619 6.957 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.762 9.048 7.966 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.657 8.634 9.141 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.687 9.798 7.600 1.00 0.00 O ATOM 0 H GLU A 79 -2.356 6.692 4.017 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.581 7.024 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.602 6.770 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.594 6.650 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.741 8.983 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.937 9.080 5.994 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.541 4.578 6.785 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.296 3.148 6.852 1.00 0.00 C ATOM 1244 C LEU A 80 -1.446 2.396 7.507 1.00 0.00 C ATOM 1245 O LEU A 80 -1.793 2.649 8.662 1.00 0.00 O ATOM 1246 CB LEU A 80 0.999 2.880 7.621 1.00 0.00 C ATOM 1247 CG LEU A 80 1.299 1.405 7.871 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.585 0.683 6.569 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.455 1.256 8.841 1.00 0.00 C ATOM 0 H LEU A 80 0.038 5.131 7.417 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.206 2.784 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.831 3.317 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.949 3.394 8.581 1.00 0.00 H new ATOM 0 HG LEU A 80 0.417 0.947 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.796 -0.367 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.717 0.758 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.448 1.138 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.656 0.198 9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.343 1.732 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.199 1.731 9.788 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.904 1.357 6.825 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.861 0.425 7.394 1.00 0.00 C ATOM 1263 C VAL A 81 -2.158 -0.889 7.750 1.00 0.00 C ATOM 1264 O VAL A 81 -2.238 -1.368 8.880 1.00 0.00 O ATOM 1265 CB VAL A 81 -4.020 0.144 6.405 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -5.007 -0.860 6.975 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.743 1.429 6.043 1.00 0.00 C ATOM 0 H VAL A 81 -1.624 1.139 5.869 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.279 0.874 8.295 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.580 -0.283 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.807 -1.033 6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.493 -1.799 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.430 -0.469 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.553 1.207 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.153 1.882 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.043 2.121 5.576 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.488 -1.472 6.758 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.799 -2.747 6.936 1.00 0.00 C ATOM 1279 C GLY A 82 -0.962 -3.610 5.702 1.00 0.00 C ATOM 1280 O GLY A 82 -2.011 -3.554 5.076 1.00 0.00 O ATOM 0 H GLY A 82 -1.408 -1.080 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.260 -2.572 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.200 -3.266 7.807 1.00 0.00 H new ATOM 1284 N GLY A 83 0.121 -4.206 5.216 1.00 0.00 N ATOM 1285 CA GLY A 83 0.060 -4.815 3.895 1.00 0.00 C ATOM 1286 C GLY A 83 -0.452 -6.247 3.832 1.00 0.00 C ATOM 1287 O GLY A 83 -1.400 -6.516 3.117 1.00 0.00 O ATOM 0 H GLY A 83 1.018 -4.280 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.577 -4.196 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.060 -4.790 3.461 1.00 0.00 H new ATOM 1291 N CYS A 84 0.264 -7.194 4.418 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.079 -8.601 4.199 1.00 0.00 C ATOM 1293 C CYS A 84 -1.269 -9.065 5.041 1.00 0.00 C ATOM 1294 O CYS A 84 -2.272 -9.537 4.503 1.00 0.00 O ATOM 1295 CB CYS A 84 1.146 -9.490 4.431 1.00 0.00 C ATOM 1296 SG CYS A 84 1.937 -9.267 6.040 1.00 0.00 S ATOM 0 H CYS A 84 1.062 -7.029 5.031 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.392 -8.695 3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.847 -10.533 4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.878 -9.290 3.649 1.00 0.00 H new ATOM 0 HG CYS A 84 1.476 -10.149 6.876 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.139 -8.969 6.355 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.186 -9.421 7.265 1.00 0.00 C ATOM 1304 C ASP A 85 -3.306 -8.413 7.344 1.00 0.00 C ATOM 1305 O ASP A 85 -4.480 -8.777 7.416 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.633 -9.660 8.675 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.609 -10.776 8.748 1.00 0.00 C ATOM 1308 OD1 ASP A 85 0.464 -10.661 8.117 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -0.870 -11.777 9.445 1.00 0.00 O ATOM 0 H ASP A 85 -0.317 -8.581 6.818 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.570 -10.360 6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.179 -8.738 9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.460 -9.894 9.345 1.00 0.00 H new ATOM 1314 N ILE A 86 -2.924 -7.158 7.491 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.885 -6.108 7.756 1.00 0.00 C ATOM 1316 C ILE A 86 -4.868 -5.937 6.601 1.00 0.00 C ATOM 1317 O ILE A 86 -6.065 -5.809 6.833 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.194 -4.770 8.067 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.205 -4.931 9.229 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.237 -3.721 8.412 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.846 -5.369 10.528 1.00 0.00 C ATOM 0 H ILE A 86 -1.956 -6.843 7.431 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.446 -6.415 8.638 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.640 -4.449 7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.445 -5.660 8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.693 -3.983 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.743 -2.775 8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.914 -3.589 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.804 -4.045 9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.081 -5.460 11.299 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.586 -4.630 10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.334 -6.333 10.386 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.379 -5.972 5.363 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.265 -5.854 4.205 1.00 0.00 C ATOM 1335 C VAL A 87 -6.301 -6.968 4.191 1.00 0.00 C ATOM 1336 O VAL A 87 -7.489 -6.696 4.071 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.499 -5.853 2.866 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.459 -5.930 1.689 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.646 -4.606 2.744 1.00 0.00 C ATOM 0 H VAL A 87 -3.390 -6.079 5.137 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.765 -4.891 4.307 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.855 -6.732 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.893 -5.928 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.044 -6.847 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.129 -5.070 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.113 -4.622 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.284 -3.723 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.927 -4.575 3.563 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.858 -8.210 4.378 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.783 -9.336 4.443 1.00 0.00 C ATOM 1351 C ILE A 88 -7.780 -9.147 5.571 1.00 0.00 C ATOM 1352 O ILE A 88 -8.985 -9.309 5.377 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.053 -10.684 4.637 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.207 -11.012 3.405 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.055 -11.802 4.913 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.025 -11.168 2.142 1.00 0.00 C ATOM 0 H ILE A 88 -4.875 -8.459 4.486 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.305 -9.364 3.486 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.391 -10.599 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.471 -10.222 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.654 -11.933 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.522 -12.743 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.617 -11.571 5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.742 -11.891 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.364 -11.400 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.744 -11.977 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.558 -10.239 1.936 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.280 -8.818 6.753 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.154 -8.638 7.901 1.00 0.00 C ATOM 1370 C GLU A 89 -9.140 -7.502 7.654 1.00 0.00 C ATOM 1371 O GLU A 89 -10.344 -7.708 7.731 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.344 -8.349 9.164 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.195 -8.261 10.420 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.388 -7.886 11.641 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.824 -6.775 11.667 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.308 -8.704 12.577 1.00 0.00 O ATOM 0 H GLU A 89 -6.288 -8.672 6.941 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.708 -9.566 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.597 -9.132 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.804 -7.411 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.984 -7.524 10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.683 -9.220 10.592 1.00 0.00 H new ATOM 1383 N MET A 90 -8.627 -6.321 7.312 1.00 0.00 N ATOM 1384 CA MET A 90 -9.470 -5.159 7.016 1.00 0.00 C ATOM 1385 C MET A 90 -10.467 -5.464 5.909 1.00 0.00 C ATOM 1386 O MET A 90 -11.625 -5.064 5.985 1.00 0.00 O ATOM 1387 CB MET A 90 -8.617 -3.941 6.652 1.00 0.00 C ATOM 1388 CG MET A 90 -7.820 -3.385 7.816 1.00 0.00 C ATOM 1389 SD MET A 90 -8.876 -2.820 9.161 1.00 0.00 S ATOM 1390 CE MET A 90 -7.650 -2.236 10.328 1.00 0.00 C ATOM 0 H MET A 90 -7.626 -6.141 7.232 1.00 0.00 H new ATOM 0 HA MET A 90 -10.034 -4.925 7.919 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.930 -4.216 5.851 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.266 -3.158 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.141 -4.152 8.188 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.204 -2.556 7.468 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.149 -1.853 11.218 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.992 -3.059 10.606 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.062 -1.440 9.871 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.032 -6.255 4.944 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.897 -6.743 3.878 1.00 0.00 C ATOM 1402 C TYR A 91 -12.058 -7.551 4.442 1.00 0.00 C ATOM 1403 O TYR A 91 -13.218 -7.292 4.122 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.045 -7.593 2.934 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.777 -8.598 2.080 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.630 -8.226 1.051 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.584 -9.948 2.318 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.262 -9.182 0.278 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.208 -10.904 1.561 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.046 -10.521 0.538 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.671 -11.476 -0.229 1.00 0.00 O ATOM 0 H TYR A 91 -9.067 -6.579 4.875 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.331 -5.903 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.496 -6.922 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.306 -8.128 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.802 -7.179 0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.927 -10.254 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.921 -8.884 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.044 -11.952 1.765 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.412 -12.368 0.084 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.738 -8.512 5.294 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.752 -9.346 5.920 1.00 0.00 C ATOM 1423 C GLN A 92 -13.633 -8.520 6.858 1.00 0.00 C ATOM 1424 O GLN A 92 -14.857 -8.620 6.820 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.104 -10.497 6.682 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.234 -11.382 5.809 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.652 -12.554 6.568 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -9.915 -12.381 7.539 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -10.989 -13.756 6.136 1.00 0.00 N ATOM 0 H GLN A 92 -10.781 -8.734 5.569 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.382 -9.760 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.499 -10.091 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.884 -11.105 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.825 -11.753 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.423 -10.787 5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.603 -13.854 5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.636 -14.586 6.611 1.00 0.00 H new ATOM 1438 N ARG A 93 -12.993 -7.658 7.651 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.693 -6.743 8.555 1.00 0.00 C ATOM 1440 C ARG A 93 -14.628 -5.847 7.749 1.00 0.00 C ATOM 1441 O ARG A 93 -15.676 -5.408 8.230 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.685 -5.858 9.304 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.592 -6.626 10.031 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.127 -7.481 11.171 1.00 0.00 C ATOM 1445 NE ARG A 93 -12.649 -6.672 12.276 1.00 0.00 N ATOM 1446 CZ ARG A 93 -11.903 -5.863 13.037 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -10.581 -5.831 12.890 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -12.476 -5.116 13.974 1.00 0.00 N ATOM 0 H ARG A 93 -11.977 -7.575 7.685 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.262 -7.332 9.274 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.220 -5.175 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.224 -5.246 10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.069 -7.265 9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.860 -5.921 10.425 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.917 -8.131 10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.332 -8.128 11.541 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.647 -6.730 12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.131 -6.425 12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.018 -5.212 13.473 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.485 -5.159 14.114 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.907 -4.500 14.554 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.184 -5.532 6.543 1.00 0.00 N ATOM 1463 CA GLY A 94 -14.897 -4.632 5.666 1.00 0.00 C ATOM 1464 C GLY A 94 -14.655 -3.180 6.019 1.00 0.00 C ATOM 1465 O GLY A 94 -15.386 -2.309 5.572 1.00 0.00 O ATOM 0 H GLY A 94 -13.317 -5.897 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.588 -4.810 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.965 -4.844 5.720 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.550 -2.919 6.717 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.123 -1.550 7.016 1.00 0.00 C ATOM 1471 C GLU A 95 -12.241 -1.000 5.899 1.00 0.00 C ATOM 1472 O GLU A 95 -12.130 0.208 5.708 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.361 -1.478 8.342 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.174 -1.902 9.552 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.418 -1.700 10.851 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.058 -0.542 11.158 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -12.186 -2.691 11.572 1.00 0.00 O ATOM 0 H GLU A 95 -12.931 -3.640 7.088 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.025 -0.944 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.476 -2.110 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.012 -0.456 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.102 -1.331 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.448 -2.952 9.453 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.535 -1.904 5.242 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.552 -1.547 4.220 1.00 0.00 C ATOM 1486 C LEU A 96 -11.232 -0.837 3.073 1.00 0.00 C ATOM 1487 O LEU A 96 -10.940 0.310 2.770 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.862 -2.812 3.708 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.769 -2.597 2.662 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.623 -1.781 3.238 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.267 -3.935 2.150 1.00 0.00 C ATOM 0 H LEU A 96 -11.623 -2.908 5.398 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.809 -0.881 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.426 -3.335 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.620 -3.470 3.284 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.193 -2.039 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.857 -1.641 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.995 -0.809 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.194 -2.307 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.488 -3.771 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.859 -4.512 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.092 -4.484 1.697 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.229 -1.498 2.534 1.00 0.00 N ATOM 1504 CA GLN A 97 -13.078 -0.923 1.507 1.00 0.00 C ATOM 1505 C GLN A 97 -13.774 0.347 1.997 1.00 0.00 C ATOM 1506 O GLN A 97 -14.098 1.224 1.214 1.00 0.00 O ATOM 1507 CB GLN A 97 -14.093 -1.964 1.050 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.832 -2.645 2.193 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.742 -3.759 1.721 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.704 -3.528 0.989 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.431 -4.981 2.126 1.00 0.00 N ATOM 0 H GLN A 97 -12.478 -2.452 2.793 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.455 -0.634 0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.820 -1.485 0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.580 -2.722 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.107 -3.049 2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.422 -1.903 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.624 -5.127 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.998 -5.776 1.831 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.971 0.451 3.302 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.594 1.633 3.886 1.00 0.00 C ATOM 1522 C GLN A 98 -13.687 2.850 3.777 1.00 0.00 C ATOM 1523 O GLN A 98 -14.081 3.884 3.235 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.954 1.384 5.352 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.128 0.443 5.555 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.394 0.918 4.872 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.877 2.023 5.122 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.951 0.077 4.014 1.00 0.00 N ATOM 0 H GLN A 98 -13.710 -0.267 3.978 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.506 1.834 3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.083 0.975 5.864 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.183 2.339 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.865 -0.544 5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.317 0.333 6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -17.519 -0.829 3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.812 0.336 3.532 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.472 2.718 4.289 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.514 3.806 4.245 1.00 0.00 C ATOM 1539 C LEU A 99 -10.991 4.054 2.828 1.00 0.00 C ATOM 1540 O LEU A 99 -10.842 5.208 2.426 1.00 0.00 O ATOM 1541 CB LEU A 99 -10.399 3.612 5.293 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.742 2.228 5.370 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.866 1.950 4.168 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -8.941 2.096 6.655 1.00 0.00 C ATOM 0 H LEU A 99 -12.129 1.869 4.738 1.00 0.00 H new ATOM 0 HA LEU A 99 -12.033 4.723 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.618 4.346 5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.813 3.844 6.274 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.539 1.485 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.421 0.960 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.469 1.991 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.076 2.699 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.480 1.109 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.164 2.860 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.603 2.224 7.511 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.810 2.988 2.039 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.415 3.150 0.639 1.00 0.00 C ATOM 1558 C ILE A 100 -11.494 3.913 -0.121 1.00 0.00 C ATOM 1559 O ILE A 100 -11.193 4.830 -0.871 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.155 1.802 -0.083 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.044 1.006 0.606 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.778 2.052 -1.541 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.697 1.689 0.579 1.00 0.00 C ATOM 0 H ILE A 100 -10.929 2.021 2.341 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.477 3.705 0.648 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.074 1.217 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.329 0.826 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.956 0.032 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.598 1.099 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.592 2.575 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.875 2.661 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.962 1.064 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.389 1.845 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.767 2.651 1.086 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.752 3.534 0.108 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.900 4.178 -0.528 1.00 0.00 C ATOM 1577 C LYS A 101 -13.837 5.685 -0.407 1.00 0.00 C ATOM 1578 O LYS A 101 -13.931 6.414 -1.394 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.169 3.711 0.169 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.429 4.410 -0.299 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.455 4.509 0.823 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.784 3.157 1.435 1.00 0.00 C ATOM 1583 NZ LYS A 101 -18.703 3.300 2.598 1.00 0.00 N ATOM 0 H LYS A 101 -13.003 2.773 0.739 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.892 3.908 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.283 2.638 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.058 3.866 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.182 5.409 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.858 3.866 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.075 5.173 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -18.369 4.961 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.243 2.516 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.864 2.666 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.281 2.844 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.858 4.309 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.613 2.847 2.379 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.771 6.134 0.830 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.800 7.547 1.133 1.00 0.00 C ATOM 1599 C GLU A 102 -12.601 8.251 0.512 1.00 0.00 C ATOM 1600 O GLU A 102 -12.741 9.307 -0.100 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.828 7.743 2.650 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.928 9.191 3.087 1.00 0.00 C ATOM 1603 CD GLU A 102 -14.066 9.324 4.589 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -14.087 8.284 5.287 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -14.172 10.465 5.082 1.00 0.00 O ATOM 0 H GLU A 102 -13.696 5.531 1.649 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.700 7.989 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.674 7.192 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.925 7.307 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.041 9.731 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.785 9.657 2.602 1.00 0.00 H new ATOM 1612 N THR A 103 -11.429 7.658 0.677 1.00 0.00 N ATOM 1613 CA THR A 103 -10.198 8.221 0.150 1.00 0.00 C ATOM 1614 C THR A 103 -10.160 8.213 -1.380 1.00 0.00 C ATOM 1615 O THR A 103 -9.854 9.231 -2.001 1.00 0.00 O ATOM 1616 CB THR A 103 -8.989 7.463 0.710 1.00 0.00 C ATOM 1617 OG1 THR A 103 -9.004 7.534 2.139 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.698 8.048 0.189 1.00 0.00 C ATOM 0 H THR A 103 -11.305 6.778 1.177 1.00 0.00 H new ATOM 0 HA THR A 103 -10.158 9.263 0.469 1.00 0.00 H new ATOM 0 HB THR A 103 -9.051 6.423 0.388 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.579 6.826 2.496 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.855 7.493 0.601 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.681 7.980 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.625 9.093 0.489 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.457 7.073 -1.987 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.430 6.957 -3.439 1.00 0.00 C ATOM 1628 C ALA A 104 -11.392 7.951 -4.073 1.00 0.00 C ATOM 1629 O ALA A 104 -11.050 8.645 -5.035 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.778 5.541 -3.871 1.00 0.00 C ATOM 0 H ALA A 104 -10.719 6.217 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.420 7.185 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.752 5.476 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.055 4.844 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.777 5.287 -3.516 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.594 8.015 -3.524 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.613 8.915 -4.025 1.00 0.00 C ATOM 1638 C ALA A 105 -13.214 10.380 -3.864 1.00 0.00 C ATOM 1639 O ALA A 105 -13.425 11.178 -4.772 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.935 8.645 -3.334 1.00 0.00 C ATOM 0 H ALA A 105 -12.886 7.450 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.722 8.726 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.693 9.327 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.242 7.617 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.822 8.796 -2.260 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.683 10.750 -2.698 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.330 12.148 -2.456 1.00 0.00 C ATOM 1648 C LYS A 106 -11.172 12.600 -3.338 1.00 0.00 C ATOM 1649 O LYS A 106 -11.072 13.782 -3.664 1.00 0.00 O ATOM 1650 CB LYS A 106 -12.079 12.463 -0.962 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.973 11.675 -0.274 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.551 12.068 -0.683 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.174 13.503 -0.315 1.00 0.00 C ATOM 1654 NZ LYS A 106 -9.884 14.532 -1.122 1.00 0.00 N ATOM 0 H LYS A 106 -12.491 10.116 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.204 12.734 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.847 13.524 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.008 12.292 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.073 11.801 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.116 10.615 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.846 11.385 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.445 11.940 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.392 13.667 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.099 13.631 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.269 15.362 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.124 14.138 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.756 14.817 -0.632 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.312 11.674 -3.752 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.212 12.049 -4.630 1.00 0.00 C ATOM 1670 C TYR A 107 -9.682 12.195 -6.069 1.00 0.00 C ATOM 1671 O TYR A 107 -9.354 13.170 -6.748 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.042 11.057 -4.575 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.106 11.241 -3.402 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.094 12.185 -3.475 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.225 10.497 -2.232 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.226 12.384 -2.427 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.363 10.691 -1.181 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.360 11.637 -1.280 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.496 11.842 -0.232 1.00 0.00 O ATOM 0 H TYR A 107 -10.353 10.686 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.852 13.011 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.444 10.044 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.467 11.144 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.985 12.776 -4.372 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.007 9.756 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.443 13.123 -2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.468 10.106 -0.279 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.773 11.294 0.532 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.447 11.223 -6.530 1.00 0.00 N ATOM 1690 CA LYS A 108 -10.956 11.244 -7.887 1.00 0.00 C ATOM 1691 C LYS A 108 -12.321 11.905 -7.954 1.00 0.00 C ATOM 1692 O LYS A 108 -12.699 12.667 -7.065 1.00 0.00 O ATOM 1693 CB LYS A 108 -10.981 9.824 -8.422 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.585 9.233 -8.531 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.634 7.769 -8.888 1.00 0.00 C ATOM 1696 CE LYS A 108 -10.387 7.002 -7.824 1.00 0.00 C ATOM 1697 NZ LYS A 108 -10.458 5.554 -8.123 1.00 0.00 N ATOM 0 H LYS A 108 -10.729 10.409 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.298 11.844 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.589 9.200 -7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.457 9.814 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.017 9.775 -9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.059 9.361 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -10.120 7.638 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.622 7.376 -8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.900 7.149 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.397 7.403 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.454 5.261 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.981 5.362 -9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.989 5.019 -7.364 1.00 0.00 H new ATOM 1711 N SER A 109 -13.059 11.599 -8.997 1.00 0.00 N ATOM 1712 CA SER A 109 -14.396 12.140 -9.187 1.00 0.00 C ATOM 1713 C SER A 109 -15.441 11.334 -8.457 1.00 0.00 C ATOM 1714 O SER A 109 -16.433 10.875 -9.023 1.00 0.00 O ATOM 1715 CB SER A 109 -14.717 12.234 -10.639 1.00 0.00 C ATOM 1716 OG SER A 109 -14.367 11.043 -11.326 1.00 0.00 O ATOM 0 H SER A 109 -12.755 10.969 -9.740 1.00 0.00 H new ATOM 0 HA SER A 109 -14.409 13.142 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.782 12.429 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.184 13.078 -11.077 1.00 0.00 H new ATOM 0 HG SER A 109 -14.591 11.135 -12.276 1.00 0.00 H new ATOM 1722 N GLU A 110 -15.189 11.211 -7.190 1.00 0.00 N ATOM 1723 CA GLU A 110 -16.063 10.505 -6.259 1.00 0.00 C ATOM 1724 C GLU A 110 -16.356 9.087 -6.740 1.00 0.00 C ATOM 1725 O GLU A 110 -17.504 8.644 -6.776 1.00 0.00 O ATOM 1726 CB GLU A 110 -17.340 11.309 -6.032 1.00 0.00 C ATOM 1727 CG GLU A 110 -17.074 12.623 -5.317 1.00 0.00 C ATOM 1728 CD GLU A 110 -18.312 13.470 -5.144 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -18.854 13.959 -6.156 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -18.756 13.643 -3.990 1.00 0.00 O ATOM 0 H GLU A 110 -14.356 11.601 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.551 10.408 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -17.816 11.510 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -18.042 10.715 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -16.645 12.415 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.330 13.189 -5.877 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.293 8.402 -7.136 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.372 7.042 -7.657 1.00 0.00 C ATOM 1739 C GLU A 111 -15.912 6.048 -6.626 1.00 0.00 C ATOM 1740 O GLU A 111 -15.534 6.081 -5.456 1.00 0.00 O ATOM 1741 CB GLU A 111 -13.985 6.613 -8.136 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.481 7.413 -9.333 1.00 0.00 C ATOM 1743 CD GLU A 111 -14.369 7.306 -10.562 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -15.422 6.637 -10.505 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -14.019 7.907 -11.598 1.00 0.00 O ATOM 0 H GLU A 111 -14.344 8.775 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.077 7.039 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.277 6.718 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.011 5.556 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.397 8.462 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.478 7.071 -9.590 1.00 0.00 H new ATOM 1752 N PRO A 112 -16.822 5.157 -7.061 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.426 4.141 -6.193 1.00 0.00 C ATOM 1754 C PRO A 112 -16.438 3.037 -5.813 1.00 0.00 C ATOM 1755 O PRO A 112 -15.730 2.493 -6.664 1.00 0.00 O ATOM 1756 CB PRO A 112 -18.567 3.576 -7.045 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.149 3.813 -8.453 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.332 5.077 -8.441 1.00 0.00 C ATOM 0 HA PRO A 112 -17.757 4.561 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -18.716 2.514 -6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.510 4.076 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -17.564 2.975 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.017 3.916 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -16.519 5.034 -9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.938 5.947 -8.694 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.393 2.722 -4.529 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.485 1.704 -4.009 1.00 0.00 C ATOM 1768 C ASP A 113 -16.289 0.596 -3.330 1.00 0.00 C ATOM 1769 O ASP A 113 -16.909 -0.221 -4.014 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.461 2.367 -3.077 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.414 1.415 -2.528 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.736 0.618 -1.623 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.274 1.442 -3.025 1.00 0.00 O ATOM 0 H ASP A 113 -16.980 3.160 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.925 1.234 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.959 3.169 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.990 2.828 -2.243 1.00 0.00 H new