USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 73 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 GLN : amide:sc= -0.117 K(o=-1,f=-1.9) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.919 X(o=-1,f=-0.91) USER MOD Set 3.1: A 28 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-7.7!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.0103 USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= -0.391 USER MOD Set 4.2: A 27 SER OG : rot -74:sc= 1.28 USER MOD Single : A 4 THR OG1 : rot 175:sc= 0.165 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.871 USER MOD Single : A 15 THR OG1 : rot 79:sc= 0.73 USER MOD Single : A 16 CYS SG : rot -75:sc= -3.15! USER MOD Single : A 22 THR OG1 : rot -17:sc= 1.08 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc=-0.00595 (180deg=-0.121) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.313 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.039 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.821 K(o=-0.82,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.354 11.198 3.787 1.00 0.00 N ATOM 46 CA THR A 4 0.654 10.037 2.920 1.00 0.00 C ATOM 47 C THR A 4 -0.381 8.902 3.118 1.00 0.00 C ATOM 48 O THR A 4 -0.771 8.255 2.149 1.00 0.00 O ATOM 49 CB THR A 4 2.101 9.492 3.160 1.00 0.00 C ATOM 50 OG1 THR A 4 3.035 10.586 3.132 1.00 0.00 O ATOM 51 CG2 THR A 4 2.512 8.445 2.092 1.00 0.00 C ATOM 0 HA THR A 4 0.590 10.389 1.890 1.00 0.00 H new ATOM 0 HB THR A 4 2.113 9.002 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.929 10.259 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.523 8.094 2.297 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.821 7.602 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.481 8.902 1.103 1.00 0.00 H new ATOM 59 N PHE A 5 -0.883 8.744 4.362 1.00 0.00 N ATOM 60 CA PHE A 5 -1.901 7.716 4.678 1.00 0.00 C ATOM 61 C PHE A 5 -3.246 8.071 4.034 1.00 0.00 C ATOM 62 O PHE A 5 -3.887 7.209 3.463 1.00 0.00 O ATOM 63 CB PHE A 5 -2.068 7.511 6.217 1.00 0.00 C ATOM 64 CG PHE A 5 -3.294 6.662 6.599 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.356 5.305 6.276 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.414 7.241 7.215 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.485 4.561 6.558 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.537 6.486 7.507 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.576 5.151 7.169 1.00 0.00 C ATOM 0 H PHE A 5 -0.602 9.312 5.161 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.549 6.773 4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.170 7.034 6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.148 8.486 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.510 4.831 5.800 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.400 8.292 7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.516 3.513 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.382 6.943 8.000 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.458 4.566 7.381 1.00 0.00 H new ATOM 79 N ASP A 6 -3.649 9.344 4.140 1.00 0.00 N ATOM 80 CA ASP A 6 -4.966 9.822 3.661 1.00 0.00 C ATOM 81 C ASP A 6 -5.069 9.689 2.131 1.00 0.00 C ATOM 82 O ASP A 6 -6.139 9.387 1.587 1.00 0.00 O ATOM 83 CB ASP A 6 -5.187 11.290 4.096 1.00 0.00 C ATOM 84 CG ASP A 6 -6.624 11.785 3.870 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.504 11.486 4.704 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.900 12.435 2.843 1.00 0.00 O ATOM 0 H ASP A 6 -3.076 10.076 4.559 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.745 9.204 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.939 11.389 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.499 11.932 3.545 1.00 0.00 H new ATOM 91 N ARG A 7 -3.930 9.925 1.463 1.00 0.00 N ATOM 92 CA ARG A 7 -3.760 9.688 0.023 1.00 0.00 C ATOM 93 C ARG A 7 -4.009 8.199 -0.320 1.00 0.00 C ATOM 94 O ARG A 7 -4.900 7.884 -1.113 1.00 0.00 O ATOM 95 CB ARG A 7 -2.327 10.110 -0.400 1.00 0.00 C ATOM 96 CG ARG A 7 -2.072 11.630 -0.422 1.00 0.00 C ATOM 97 CD ARG A 7 -2.780 12.326 -1.600 1.00 0.00 C ATOM 98 NE ARG A 7 -2.296 11.804 -2.893 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.039 11.588 -3.986 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.332 11.885 -4.019 1.00 0.00 N ATOM 101 NH2 ARG A 7 -2.463 11.100 -5.061 1.00 0.00 N ATOM 0 H ARG A 7 -3.091 10.290 1.914 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.489 10.284 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.613 9.647 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.125 9.709 -1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.416 12.067 0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.000 11.815 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.857 12.174 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.606 13.401 -1.550 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.302 11.587 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.784 12.288 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.874 11.710 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.465 10.892 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.014 10.929 -5.902 1.00 0.00 H new ATOM 115 N VAL A 8 -3.225 7.308 0.329 1.00 0.00 N ATOM 116 CA VAL A 8 -3.302 5.838 0.132 1.00 0.00 C ATOM 117 C VAL A 8 -4.712 5.300 0.478 1.00 0.00 C ATOM 118 O VAL A 8 -5.216 4.396 -0.178 1.00 0.00 O ATOM 119 CB VAL A 8 -2.220 5.076 1.000 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.311 3.540 0.818 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.799 5.569 0.667 1.00 0.00 C ATOM 0 H VAL A 8 -2.517 7.588 1.008 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.098 5.651 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.433 5.301 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.551 3.055 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.299 3.195 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.147 3.287 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.074 5.030 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.590 5.390 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.726 6.636 0.876 1.00 0.00 H new ATOM 131 N ALA A 9 -5.328 5.907 1.504 1.00 0.00 N ATOM 132 CA ALA A 9 -6.658 5.527 2.016 1.00 0.00 C ATOM 133 C ALA A 9 -7.738 5.771 0.952 1.00 0.00 C ATOM 134 O ALA A 9 -8.615 4.932 0.742 1.00 0.00 O ATOM 135 CB ALA A 9 -6.971 6.300 3.313 1.00 0.00 C ATOM 0 H ALA A 9 -4.911 6.688 2.011 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.653 4.462 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.955 6.010 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.219 6.066 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.960 7.371 3.110 1.00 0.00 H new ATOM 141 N THR A 10 -7.662 6.941 0.295 1.00 0.00 N ATOM 142 CA THR A 10 -8.511 7.283 -0.854 1.00 0.00 C ATOM 143 C THR A 10 -8.296 6.298 -2.022 1.00 0.00 C ATOM 144 O THR A 10 -9.267 5.837 -2.625 1.00 0.00 O ATOM 145 CB THR A 10 -8.252 8.767 -1.301 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.822 9.667 -0.342 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.818 9.092 -2.692 1.00 0.00 C ATOM 0 H THR A 10 -7.005 7.679 0.549 1.00 0.00 H new ATOM 0 HA THR A 10 -9.553 7.196 -0.548 1.00 0.00 H new ATOM 0 HB THR A 10 -7.170 8.889 -1.357 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.657 10.591 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.604 10.132 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.356 8.441 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.896 8.934 -2.692 1.00 0.00 H new ATOM 155 N ILE A 11 -7.023 5.957 -2.314 1.00 0.00 N ATOM 156 CA ILE A 11 -6.660 5.034 -3.413 1.00 0.00 C ATOM 157 C ILE A 11 -7.319 3.648 -3.197 1.00 0.00 C ATOM 158 O ILE A 11 -7.965 3.116 -4.093 1.00 0.00 O ATOM 159 CB ILE A 11 -5.089 4.882 -3.530 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.403 6.257 -3.863 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.678 3.782 -4.548 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.851 6.897 -5.165 1.00 0.00 C ATOM 0 H ILE A 11 -6.219 6.312 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.032 5.458 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.729 4.558 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.601 6.952 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.324 6.108 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.591 3.716 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.087 2.823 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.067 4.035 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.323 7.840 -5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.628 6.227 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.924 7.084 -5.128 1.00 0.00 H new ATOM 174 N ILE A 12 -7.144 3.110 -1.982 1.00 0.00 N ATOM 175 CA ILE A 12 -7.712 1.813 -1.554 1.00 0.00 C ATOM 176 C ILE A 12 -9.259 1.842 -1.583 1.00 0.00 C ATOM 177 O ILE A 12 -9.894 0.866 -1.996 1.00 0.00 O ATOM 178 CB ILE A 12 -7.181 1.435 -0.113 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.634 1.175 -0.172 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.938 0.223 0.511 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.976 0.854 1.157 1.00 0.00 C ATOM 0 H ILE A 12 -6.596 3.567 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.385 1.047 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.378 2.281 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.448 0.350 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.151 2.056 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.531 0.009 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.998 0.462 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.815 -0.651 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.909 0.692 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.122 1.686 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.424 -0.047 1.576 1.00 0.00 H new ATOM 193 N ALA A 13 -9.841 2.976 -1.161 1.00 0.00 N ATOM 194 CA ALA A 13 -11.304 3.187 -1.178 1.00 0.00 C ATOM 195 C ALA A 13 -11.863 3.092 -2.613 1.00 0.00 C ATOM 196 O ALA A 13 -12.856 2.409 -2.854 1.00 0.00 O ATOM 197 CB ALA A 13 -11.663 4.543 -0.538 1.00 0.00 C ATOM 0 H ALA A 13 -9.316 3.772 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.766 2.396 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.744 4.681 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.315 4.561 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.184 5.347 -1.096 1.00 0.00 H new ATOM 203 N GLU A 14 -11.202 3.771 -3.554 1.00 0.00 N ATOM 204 CA GLU A 14 -11.626 3.814 -4.966 1.00 0.00 C ATOM 205 C GLU A 14 -11.385 2.481 -5.700 1.00 0.00 C ATOM 206 O GLU A 14 -12.218 2.058 -6.517 1.00 0.00 O ATOM 207 CB GLU A 14 -10.914 4.982 -5.685 1.00 0.00 C ATOM 208 CG GLU A 14 -11.197 6.369 -5.075 1.00 0.00 C ATOM 209 CD GLU A 14 -12.692 6.684 -4.928 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.353 6.934 -5.962 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.211 6.687 -3.784 1.00 0.00 O ATOM 0 H GLU A 14 -10.356 4.309 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.703 3.979 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.839 4.803 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.219 4.989 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.724 6.429 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.733 7.133 -5.700 1.00 0.00 H new ATOM 218 N THR A 15 -10.253 1.830 -5.404 1.00 0.00 N ATOM 219 CA THR A 15 -9.878 0.556 -6.029 1.00 0.00 C ATOM 220 C THR A 15 -10.800 -0.578 -5.550 1.00 0.00 C ATOM 221 O THR A 15 -11.560 -1.163 -6.331 1.00 0.00 O ATOM 222 CB THR A 15 -8.385 0.197 -5.699 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.518 1.225 -6.206 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.963 -1.167 -6.278 1.00 0.00 C ATOM 0 H THR A 15 -9.572 2.171 -4.725 1.00 0.00 H new ATOM 0 HA THR A 15 -9.987 0.667 -7.108 1.00 0.00 H new ATOM 0 HB THR A 15 -8.300 0.129 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.533 1.994 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.923 -1.365 -6.021 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.596 -1.951 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.072 -1.151 -7.362 1.00 0.00 H new ATOM 232 N CYS A 16 -10.744 -0.831 -4.244 1.00 0.00 N ATOM 233 CA CYS A 16 -11.353 -1.998 -3.607 1.00 0.00 C ATOM 234 C CYS A 16 -12.837 -1.785 -3.265 1.00 0.00 C ATOM 235 O CYS A 16 -13.523 -2.742 -2.896 1.00 0.00 O ATOM 236 CB CYS A 16 -10.545 -2.313 -2.336 1.00 0.00 C ATOM 237 SG CYS A 16 -8.766 -2.340 -2.609 1.00 0.00 S ATOM 0 H CYS A 16 -10.264 -0.218 -3.585 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.326 -2.833 -4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.777 -1.570 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.860 -3.280 -1.945 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.439 -3.433 -3.232 1.00 0.00 H new ATOM 243 N ASP A 17 -13.320 -0.527 -3.388 1.00 0.00 N ATOM 244 CA ASP A 17 -14.683 -0.121 -2.960 1.00 0.00 C ATOM 245 C ASP A 17 -14.919 -0.371 -1.464 1.00 0.00 C ATOM 246 O ASP A 17 -16.067 -0.477 -1.015 1.00 0.00 O ATOM 247 CB ASP A 17 -15.781 -0.778 -3.844 1.00 0.00 C ATOM 248 CG ASP A 17 -15.822 -0.177 -5.256 1.00 0.00 C ATOM 249 OD1 ASP A 17 -15.021 -0.589 -6.121 1.00 0.00 O ATOM 250 OD2 ASP A 17 -16.648 0.730 -5.498 1.00 0.00 O ATOM 0 H ASP A 17 -12.776 0.238 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.756 0.956 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.597 -1.850 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.753 -0.651 -3.368 1.00 0.00 H new ATOM 255 N ILE A 18 -13.817 -0.410 -0.695 1.00 0.00 N ATOM 256 CA ILE A 18 -13.863 -0.517 0.766 1.00 0.00 C ATOM 257 C ILE A 18 -14.217 0.866 1.341 1.00 0.00 C ATOM 258 O ILE A 18 -13.592 1.867 0.942 1.00 0.00 O ATOM 259 CB ILE A 18 -12.486 -1.030 1.352 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.273 -2.522 0.946 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.390 -0.847 2.893 1.00 0.00 C ATOM 262 CD1 ILE A 18 -11.000 -3.161 1.458 1.00 0.00 C ATOM 0 H ILE A 18 -12.871 -0.368 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.621 -1.247 1.051 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.689 -0.421 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.121 -3.103 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.281 -2.589 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.426 -1.215 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.487 0.210 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.190 -1.408 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.951 -4.196 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.139 -2.613 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.993 -3.135 2.548 1.00 0.00 H new ATOM 274 N PRO A 19 -15.257 0.951 2.236 1.00 0.00 N ATOM 275 CA PRO A 19 -15.659 2.220 2.872 1.00 0.00 C ATOM 276 C PRO A 19 -14.473 2.945 3.530 1.00 0.00 C ATOM 277 O PRO A 19 -13.713 2.348 4.297 1.00 0.00 O ATOM 278 CB PRO A 19 -16.715 1.785 3.917 1.00 0.00 C ATOM 279 CG PRO A 19 -17.281 0.516 3.363 1.00 0.00 C ATOM 280 CD PRO A 19 -16.119 -0.176 2.691 1.00 0.00 C ATOM 0 HA PRO A 19 -16.047 2.939 2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.264 1.625 4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.487 2.544 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.705 -0.104 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.082 0.719 2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.589 -0.833 3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.448 -0.792 1.854 1.00 0.00 H new ATOM 288 N ARG A 20 -14.325 4.234 3.189 1.00 0.00 N ATOM 289 CA ARG A 20 -13.256 5.113 3.694 1.00 0.00 C ATOM 290 C ARG A 20 -13.276 5.154 5.245 1.00 0.00 C ATOM 291 O ARG A 20 -12.232 5.264 5.893 1.00 0.00 O ATOM 292 CB ARG A 20 -13.456 6.532 3.078 1.00 0.00 C ATOM 293 CG ARG A 20 -12.287 7.526 3.253 1.00 0.00 C ATOM 294 CD ARG A 20 -10.970 7.057 2.587 1.00 0.00 C ATOM 295 NE ARG A 20 -10.147 8.198 2.133 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.412 9.000 2.908 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.189 8.722 4.178 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.852 10.061 2.383 1.00 0.00 N ATOM 0 H ARG A 20 -14.957 4.705 2.542 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.279 4.730 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.651 6.417 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.349 6.974 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.574 8.490 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.111 7.683 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.399 6.456 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.201 6.415 1.737 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.140 8.391 1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.582 7.876 4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.624 9.353 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.979 10.267 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.288 10.681 2.965 1.00 0.00 H new ATOM 312 N GLU A 21 -14.492 5.031 5.808 1.00 0.00 N ATOM 313 CA GLU A 21 -14.730 4.959 7.267 1.00 0.00 C ATOM 314 C GLU A 21 -14.118 3.682 7.903 1.00 0.00 C ATOM 315 O GLU A 21 -13.576 3.742 9.010 1.00 0.00 O ATOM 316 CB GLU A 21 -16.258 5.031 7.547 1.00 0.00 C ATOM 317 CG GLU A 21 -17.080 3.942 6.830 1.00 0.00 C ATOM 318 CD GLU A 21 -18.593 4.077 7.028 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.093 3.736 8.125 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.291 4.531 6.094 1.00 0.00 O ATOM 0 H GLU A 21 -15.350 4.978 5.258 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.230 5.810 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.424 4.949 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.627 6.010 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.858 3.976 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.762 2.964 7.190 1.00 0.00 H new ATOM 327 N THR A 22 -14.194 2.533 7.195 1.00 0.00 N ATOM 328 CA THR A 22 -13.673 1.242 7.703 1.00 0.00 C ATOM 329 C THR A 22 -12.158 1.113 7.461 1.00 0.00 C ATOM 330 O THR A 22 -11.515 0.197 7.988 1.00 0.00 O ATOM 331 CB THR A 22 -14.435 0.027 7.072 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.263 0.012 5.646 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.938 0.068 7.398 1.00 0.00 C ATOM 0 H THR A 22 -14.613 2.473 6.267 1.00 0.00 H new ATOM 0 HA THR A 22 -13.847 1.228 8.779 1.00 0.00 H new ATOM 0 HB THR A 22 -14.011 -0.879 7.505 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.952 0.891 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.432 -0.790 6.943 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.077 0.036 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.371 0.987 7.003 1.00 0.00 H new ATOM 341 N ILE A 23 -11.594 2.047 6.674 1.00 0.00 N ATOM 342 CA ILE A 23 -10.147 2.144 6.442 1.00 0.00 C ATOM 343 C ILE A 23 -9.481 2.846 7.642 1.00 0.00 C ATOM 344 O ILE A 23 -9.741 4.028 7.897 1.00 0.00 O ATOM 345 CB ILE A 23 -9.870 2.929 5.102 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.372 2.099 3.877 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.375 3.320 4.944 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.233 2.780 2.531 1.00 0.00 C ATOM 0 H ILE A 23 -12.134 2.757 6.180 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.722 1.145 6.344 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.430 3.863 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.823 1.158 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.422 1.851 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.237 3.858 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.076 3.958 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.762 2.419 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.610 2.121 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.806 3.707 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.183 3.003 2.343 1.00 0.00 H new ATOM 360 N THR A 24 -8.648 2.095 8.384 1.00 0.00 N ATOM 361 CA THR A 24 -7.906 2.605 9.555 1.00 0.00 C ATOM 362 C THR A 24 -6.391 2.362 9.343 1.00 0.00 C ATOM 363 O THR A 24 -6.022 1.470 8.580 1.00 0.00 O ATOM 364 CB THR A 24 -8.394 1.913 10.882 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.186 0.499 10.816 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.883 2.191 11.162 1.00 0.00 C ATOM 0 H THR A 24 -8.468 1.110 8.188 1.00 0.00 H new ATOM 0 HA THR A 24 -8.094 3.674 9.653 1.00 0.00 H new ATOM 0 HB THR A 24 -7.806 2.337 11.696 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.493 0.084 11.649 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.178 1.695 12.087 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.040 3.265 11.260 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.486 1.810 10.338 1.00 0.00 H new ATOM 374 N PRO A 25 -5.479 3.161 9.984 1.00 0.00 N ATOM 375 CA PRO A 25 -4.008 2.981 9.834 1.00 0.00 C ATOM 376 C PRO A 25 -3.536 1.571 10.255 1.00 0.00 C ATOM 377 O PRO A 25 -2.726 0.951 9.567 1.00 0.00 O ATOM 378 CB PRO A 25 -3.407 4.094 10.740 1.00 0.00 C ATOM 379 CG PRO A 25 -4.522 4.484 11.664 1.00 0.00 C ATOM 380 CD PRO A 25 -5.791 4.316 10.866 1.00 0.00 C ATOM 0 HA PRO A 25 -3.687 3.064 8.796 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.544 3.728 11.295 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.068 4.945 10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.532 3.854 12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.407 5.513 12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.648 4.114 11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.028 5.211 10.291 1.00 0.00 H new ATOM 388 N GLU A 26 -4.119 1.051 11.344 1.00 0.00 N ATOM 389 CA GLU A 26 -3.677 -0.213 11.963 1.00 0.00 C ATOM 390 C GLU A 26 -4.279 -1.448 11.262 1.00 0.00 C ATOM 391 O GLU A 26 -3.848 -2.573 11.537 1.00 0.00 O ATOM 392 CB GLU A 26 -4.024 -0.222 13.472 1.00 0.00 C ATOM 393 CG GLU A 26 -5.521 -0.027 13.776 1.00 0.00 C ATOM 394 CD GLU A 26 -5.824 0.057 15.279 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.325 0.995 15.943 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.546 -0.813 15.811 1.00 0.00 O ATOM 0 H GLU A 26 -4.907 1.490 11.821 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.595 -0.273 11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.697 -1.168 13.903 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.458 0.566 13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.869 0.884 13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.084 -0.854 13.343 1.00 0.00 H new ATOM 403 N SER A 27 -5.255 -1.243 10.351 1.00 0.00 N ATOM 404 CA SER A 27 -5.890 -2.362 9.632 1.00 0.00 C ATOM 405 C SER A 27 -4.919 -2.926 8.584 1.00 0.00 C ATOM 406 O SER A 27 -4.256 -2.164 7.868 1.00 0.00 O ATOM 407 CB SER A 27 -7.224 -1.927 8.974 1.00 0.00 C ATOM 408 OG SER A 27 -7.062 -0.896 8.019 1.00 0.00 O ATOM 0 H SER A 27 -5.615 -0.322 10.100 1.00 0.00 H new ATOM 0 HA SER A 27 -6.125 -3.145 10.353 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.683 -2.791 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.912 -1.591 9.750 1.00 0.00 H new ATOM 0 HG SER A 27 -6.890 -0.048 8.479 1.00 0.00 H new ATOM 414 N HIS A 28 -4.813 -4.253 8.538 1.00 0.00 N ATOM 415 CA HIS A 28 -3.960 -4.974 7.589 1.00 0.00 C ATOM 416 C HIS A 28 -4.779 -5.281 6.330 1.00 0.00 C ATOM 417 O HIS A 28 -5.913 -5.751 6.448 1.00 0.00 O ATOM 418 CB HIS A 28 -3.464 -6.271 8.250 1.00 0.00 C ATOM 419 CG HIS A 28 -2.416 -7.027 7.478 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.704 -7.666 6.307 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.116 -7.225 7.772 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.580 -8.239 5.932 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.589 -8.003 6.791 1.00 0.00 N ATOM 0 H HIS A 28 -5.325 -4.869 9.169 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.095 -4.373 7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.062 -6.027 9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.319 -6.928 8.409 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.589 -6.836 8.631 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.474 -8.830 5.035 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.372 -8.339 6.725 1.00 0.00 H new ATOM 431 N ALA A 29 -4.216 -4.984 5.143 1.00 0.00 N ATOM 432 CA ALA A 29 -4.878 -5.228 3.849 1.00 0.00 C ATOM 433 C ALA A 29 -5.378 -6.679 3.715 1.00 0.00 C ATOM 434 O ALA A 29 -6.560 -6.893 3.511 1.00 0.00 O ATOM 435 CB ALA A 29 -3.948 -4.865 2.685 1.00 0.00 C ATOM 0 H ALA A 29 -3.289 -4.568 5.055 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.754 -4.581 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.457 -5.053 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.680 -3.810 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.045 -5.473 2.738 1.00 0.00 H new ATOM 441 N ILE A 30 -4.483 -7.662 3.884 1.00 0.00 N ATOM 442 CA ILE A 30 -4.833 -9.092 3.712 1.00 0.00 C ATOM 443 C ILE A 30 -5.741 -9.596 4.864 1.00 0.00 C ATOM 444 O ILE A 30 -6.772 -10.235 4.610 1.00 0.00 O ATOM 445 CB ILE A 30 -3.543 -9.991 3.583 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.688 -9.542 2.350 1.00 0.00 C ATOM 447 CG2 ILE A 30 -3.889 -11.500 3.496 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.409 -10.330 2.123 1.00 0.00 C ATOM 0 H ILE A 30 -3.509 -7.500 4.140 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.394 -9.176 2.781 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.954 -9.852 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.305 -9.617 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.430 -8.490 2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.970 -12.080 3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.425 -11.803 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.516 -11.680 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.892 -9.940 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.764 -10.236 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.652 -11.380 1.963 1.00 0.00 H new ATOM 460 N ASP A 31 -5.361 -9.286 6.115 1.00 0.00 N ATOM 461 CA ASP A 31 -6.067 -9.785 7.313 1.00 0.00 C ATOM 462 C ASP A 31 -7.441 -9.093 7.510 1.00 0.00 C ATOM 463 O ASP A 31 -8.494 -9.740 7.391 1.00 0.00 O ATOM 464 CB ASP A 31 -5.175 -9.619 8.575 1.00 0.00 C ATOM 465 CG ASP A 31 -5.847 -10.122 9.873 1.00 0.00 C ATOM 466 OD1 ASP A 31 -6.000 -11.351 10.027 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.233 -9.291 10.733 1.00 0.00 O ATOM 0 H ASP A 31 -4.563 -8.687 6.326 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.265 -10.846 7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.241 -10.161 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.917 -8.566 8.693 1.00 0.00 H new ATOM 472 N ASP A 32 -7.419 -7.783 7.803 1.00 0.00 N ATOM 473 CA ASP A 32 -8.632 -7.010 8.138 1.00 0.00 C ATOM 474 C ASP A 32 -9.469 -6.703 6.881 1.00 0.00 C ATOM 475 O ASP A 32 -10.632 -7.102 6.789 1.00 0.00 O ATOM 476 CB ASP A 32 -8.246 -5.685 8.851 1.00 0.00 C ATOM 477 CG ASP A 32 -9.471 -4.821 9.235 1.00 0.00 C ATOM 478 OD1 ASP A 32 -10.007 -4.997 10.348 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.899 -3.964 8.429 1.00 0.00 O ATOM 0 H ASP A 32 -6.563 -7.228 7.815 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.238 -7.618 8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.676 -5.917 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.591 -5.106 8.199 1.00 0.00 H new ATOM 484 N LEU A 33 -8.859 -5.973 5.930 1.00 0.00 N ATOM 485 CA LEU A 33 -9.558 -5.460 4.734 1.00 0.00 C ATOM 486 C LEU A 33 -9.950 -6.591 3.769 1.00 0.00 C ATOM 487 O LEU A 33 -10.929 -6.467 3.037 1.00 0.00 O ATOM 488 CB LEU A 33 -8.675 -4.429 3.990 1.00 0.00 C ATOM 489 CG LEU A 33 -8.280 -3.135 4.769 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.457 -2.202 3.862 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.515 -2.395 5.336 1.00 0.00 C ATOM 0 H LEU A 33 -7.871 -5.722 5.967 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.472 -4.977 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.758 -4.930 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.197 -4.130 3.081 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.670 -3.436 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.187 -1.302 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.551 -2.715 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.050 -1.927 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.191 -1.502 5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.175 -2.109 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.050 -3.052 6.021 1.00 0.00 H new ATOM 503 N GLY A 34 -9.162 -7.685 3.765 1.00 0.00 N ATOM 504 CA GLY A 34 -9.392 -8.823 2.860 1.00 0.00 C ATOM 505 C GLY A 34 -8.741 -8.661 1.484 1.00 0.00 C ATOM 506 O GLY A 34 -8.910 -9.523 0.612 1.00 0.00 O ATOM 0 H GLY A 34 -8.358 -7.802 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.009 -9.730 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.465 -8.960 2.730 1.00 0.00 H new ATOM 510 N ILE A 35 -7.996 -7.557 1.293 1.00 0.00 N ATOM 511 CA ILE A 35 -7.242 -7.292 0.059 1.00 0.00 C ATOM 512 C ILE A 35 -6.000 -8.197 -0.002 1.00 0.00 C ATOM 513 O ILE A 35 -4.972 -7.909 0.630 1.00 0.00 O ATOM 514 CB ILE A 35 -6.770 -5.800 -0.041 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.940 -4.816 0.231 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.134 -5.527 -1.427 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.504 -3.371 0.349 1.00 0.00 C ATOM 0 H ILE A 35 -7.901 -6.822 1.994 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.915 -7.499 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.015 -5.634 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.670 -4.902 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.444 -5.111 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.811 -4.487 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.274 -6.182 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.869 -5.720 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.374 -2.743 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.797 -3.270 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.026 -3.058 -0.579 1.00 0.00 H new ATOM 529 N ASP A 36 -6.120 -9.288 -0.752 1.00 0.00 N ATOM 530 CA ASP A 36 -5.020 -10.214 -1.034 1.00 0.00 C ATOM 531 C ASP A 36 -4.067 -9.598 -2.087 1.00 0.00 C ATOM 532 O ASP A 36 -4.427 -8.631 -2.773 1.00 0.00 O ATOM 533 CB ASP A 36 -5.625 -11.570 -1.509 1.00 0.00 C ATOM 534 CG ASP A 36 -4.580 -12.601 -1.963 1.00 0.00 C ATOM 535 OD1 ASP A 36 -3.939 -13.235 -1.102 1.00 0.00 O ATOM 536 OD2 ASP A 36 -4.347 -12.725 -3.180 1.00 0.00 O ATOM 0 H ASP A 36 -6.999 -9.561 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.428 -10.395 -0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.212 -11.998 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.313 -11.379 -2.333 1.00 0.00 H new ATOM 541 N SER A 37 -2.870 -10.195 -2.201 1.00 0.00 N ATOM 542 CA SER A 37 -1.789 -9.791 -3.124 1.00 0.00 C ATOM 543 C SER A 37 -2.229 -9.635 -4.606 1.00 0.00 C ATOM 544 O SER A 37 -1.527 -8.976 -5.371 1.00 0.00 O ATOM 545 CB SER A 37 -0.657 -10.834 -3.029 1.00 0.00 C ATOM 546 OG SER A 37 -1.146 -12.149 -3.289 1.00 0.00 O ATOM 0 H SER A 37 -2.616 -11.003 -1.633 1.00 0.00 H new ATOM 0 HA SER A 37 -1.461 -8.799 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.129 -10.588 -3.742 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.209 -10.799 -2.036 1.00 0.00 H new ATOM 0 HG SER A 37 -0.408 -12.791 -3.224 1.00 0.00 H new ATOM 552 N LEU A 38 -3.384 -10.217 -5.002 1.00 0.00 N ATOM 553 CA LEU A 38 -3.885 -10.147 -6.393 1.00 0.00 C ATOM 554 C LEU A 38 -4.674 -8.848 -6.610 1.00 0.00 C ATOM 555 O LEU A 38 -4.520 -8.174 -7.631 1.00 0.00 O ATOM 556 CB LEU A 38 -4.791 -11.363 -6.724 1.00 0.00 C ATOM 557 CG LEU A 38 -4.183 -12.776 -6.470 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.171 -13.891 -6.883 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.811 -12.944 -7.160 1.00 0.00 C ATOM 0 H LEU A 38 -3.990 -10.744 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.022 -10.164 -7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.706 -11.276 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.077 -11.299 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.011 -12.869 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.720 -14.865 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.089 -13.798 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.402 -13.798 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.422 -13.942 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.926 -12.810 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.116 -12.199 -6.774 1.00 0.00 H new ATOM 571 N ASP A 39 -5.533 -8.523 -5.634 1.00 0.00 N ATOM 572 CA ASP A 39 -6.393 -7.324 -5.682 1.00 0.00 C ATOM 573 C ASP A 39 -5.550 -6.064 -5.444 1.00 0.00 C ATOM 574 O ASP A 39 -5.802 -4.996 -6.024 1.00 0.00 O ATOM 575 CB ASP A 39 -7.515 -7.427 -4.614 1.00 0.00 C ATOM 576 CG ASP A 39 -8.571 -6.307 -4.738 1.00 0.00 C ATOM 577 OD1 ASP A 39 -8.410 -5.227 -4.124 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.571 -6.507 -5.458 1.00 0.00 O ATOM 0 H ASP A 39 -5.654 -9.081 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.854 -7.259 -6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.008 -8.395 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.068 -7.389 -3.621 1.00 0.00 H new ATOM 583 N PHE A 40 -4.527 -6.232 -4.595 1.00 0.00 N ATOM 584 CA PHE A 40 -3.590 -5.173 -4.200 1.00 0.00 C ATOM 585 C PHE A 40 -2.749 -4.691 -5.405 1.00 0.00 C ATOM 586 O PHE A 40 -2.208 -3.590 -5.374 1.00 0.00 O ATOM 587 CB PHE A 40 -2.691 -5.676 -3.035 1.00 0.00 C ATOM 588 CG PHE A 40 -2.121 -4.572 -2.136 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.010 -3.823 -2.520 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.704 -4.290 -0.905 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.500 -2.845 -1.701 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.192 -3.309 -0.089 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.096 -2.588 -0.491 1.00 0.00 C ATOM 0 H PHE A 40 -4.324 -7.129 -4.154 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.158 -4.312 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.271 -6.363 -2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.862 -6.246 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.543 -4.014 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.571 -4.849 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.368 -2.280 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.652 -3.106 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.700 -1.813 0.149 1.00 0.00 H new ATOM 603 N LEU A 41 -2.639 -5.538 -6.455 1.00 0.00 N ATOM 604 CA LEU A 41 -1.891 -5.207 -7.691 1.00 0.00 C ATOM 605 C LEU A 41 -2.437 -3.927 -8.354 1.00 0.00 C ATOM 606 O LEU A 41 -1.664 -3.105 -8.864 1.00 0.00 O ATOM 607 CB LEU A 41 -1.938 -6.392 -8.696 1.00 0.00 C ATOM 608 CG LEU A 41 -1.158 -7.673 -8.268 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.387 -8.837 -9.257 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.347 -7.367 -8.105 1.00 0.00 C ATOM 0 H LEU A 41 -3.064 -6.465 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.854 -5.026 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.981 -6.662 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.541 -6.050 -9.652 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.548 -7.991 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.828 -9.712 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.449 -9.079 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.046 -8.543 -10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.872 -8.274 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.750 -7.009 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.482 -6.601 -7.341 1.00 0.00 H new ATOM 622 N ASP A 42 -3.773 -3.768 -8.321 1.00 0.00 N ATOM 623 CA ASP A 42 -4.457 -2.604 -8.919 1.00 0.00 C ATOM 624 C ASP A 42 -4.342 -1.362 -8.007 1.00 0.00 C ATOM 625 O ASP A 42 -4.303 -0.231 -8.506 1.00 0.00 O ATOM 626 CB ASP A 42 -5.939 -2.933 -9.227 1.00 0.00 C ATOM 627 CG ASP A 42 -6.646 -1.841 -10.060 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.325 -1.697 -11.253 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.507 -1.113 -9.532 1.00 0.00 O ATOM 0 H ASP A 42 -4.406 -4.437 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.961 -2.371 -9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.990 -3.880 -9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.476 -3.070 -8.289 1.00 0.00 H new ATOM 634 N ILE A 43 -4.272 -1.577 -6.670 1.00 0.00 N ATOM 635 CA ILE A 43 -3.990 -0.481 -5.704 1.00 0.00 C ATOM 636 C ILE A 43 -2.593 0.091 -5.988 1.00 0.00 C ATOM 637 O ILE A 43 -2.423 1.291 -6.138 1.00 0.00 O ATOM 638 CB ILE A 43 -4.018 -0.951 -4.199 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.357 -1.657 -3.852 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.757 0.233 -3.230 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.468 -2.100 -2.406 1.00 0.00 C ATOM 0 H ILE A 43 -4.405 -2.491 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.777 0.261 -5.839 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.212 -1.674 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.181 -0.980 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.474 -2.528 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.783 -0.126 -2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.778 0.665 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.526 0.993 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.432 -2.584 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.667 -2.803 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.385 -1.232 -1.752 1.00 0.00 H new ATOM 653 N ALA A 44 -1.628 -0.837 -6.110 1.00 0.00 N ATOM 654 CA ALA A 44 -0.204 -0.530 -6.327 1.00 0.00 C ATOM 655 C ALA A 44 0.004 0.143 -7.697 1.00 0.00 C ATOM 656 O ALA A 44 0.860 1.015 -7.845 1.00 0.00 O ATOM 657 CB ALA A 44 0.622 -1.818 -6.213 1.00 0.00 C ATOM 0 H ALA A 44 -1.819 -1.838 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 44 0.132 0.170 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.676 -1.590 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.491 -2.247 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.287 -2.533 -6.964 1.00 0.00 H new ATOM 663 N PHE A 45 -0.841 -0.258 -8.668 1.00 0.00 N ATOM 664 CA PHE A 45 -0.879 0.326 -10.022 1.00 0.00 C ATOM 665 C PHE A 45 -1.335 1.798 -9.958 1.00 0.00 C ATOM 666 O PHE A 45 -0.761 2.673 -10.620 1.00 0.00 O ATOM 667 CB PHE A 45 -1.818 -0.511 -10.933 1.00 0.00 C ATOM 668 CG PHE A 45 -1.705 -0.192 -12.425 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.740 -0.824 -13.212 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.550 0.736 -13.038 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.630 -0.543 -14.564 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.438 1.014 -14.386 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.476 0.375 -15.150 1.00 0.00 C ATOM 0 H PHE A 45 -1.523 -1.004 -8.532 1.00 0.00 H new ATOM 0 HA PHE A 45 0.123 0.304 -10.449 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.601 -1.569 -10.783 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.849 -0.349 -10.617 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.071 -1.541 -12.761 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.301 1.243 -12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.119 -1.043 -15.160 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.102 1.731 -14.845 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.388 0.595 -16.204 1.00 0.00 H new ATOM 683 N ALA A 46 -2.369 2.051 -9.139 1.00 0.00 N ATOM 684 CA ALA A 46 -2.911 3.405 -8.915 1.00 0.00 C ATOM 685 C ALA A 46 -1.907 4.285 -8.146 1.00 0.00 C ATOM 686 O ALA A 46 -1.787 5.467 -8.421 1.00 0.00 O ATOM 687 CB ALA A 46 -4.250 3.318 -8.166 1.00 0.00 C ATOM 0 H ALA A 46 -2.854 1.324 -8.613 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.082 3.873 -9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.643 4.322 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.961 2.741 -8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.098 2.829 -7.204 1.00 0.00 H new ATOM 693 N ILE A 47 -1.175 3.672 -7.203 1.00 0.00 N ATOM 694 CA ILE A 47 -0.172 4.358 -6.364 1.00 0.00 C ATOM 695 C ILE A 47 1.015 4.879 -7.216 1.00 0.00 C ATOM 696 O ILE A 47 1.532 5.978 -6.967 1.00 0.00 O ATOM 697 CB ILE A 47 0.320 3.392 -5.209 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.834 3.156 -4.178 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.589 3.911 -4.486 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.576 2.050 -3.169 1.00 0.00 C ATOM 0 H ILE A 47 -1.261 2.677 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.640 5.229 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 47 0.593 2.448 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.014 4.085 -3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.748 2.923 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.877 3.207 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.403 4.009 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.381 4.883 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.431 1.962 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.428 1.106 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.317 2.287 -2.590 1.00 0.00 H new ATOM 712 N ASP A 48 1.418 4.088 -8.234 1.00 0.00 N ATOM 713 CA ASP A 48 2.458 4.490 -9.219 1.00 0.00 C ATOM 714 C ASP A 48 2.093 5.805 -9.920 1.00 0.00 C ATOM 715 O ASP A 48 2.943 6.668 -10.128 1.00 0.00 O ATOM 716 CB ASP A 48 2.642 3.413 -10.321 1.00 0.00 C ATOM 717 CG ASP A 48 3.074 2.033 -9.821 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.990 1.947 -8.977 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.549 1.027 -10.335 1.00 0.00 O ATOM 0 H ASP A 48 1.037 3.157 -8.400 1.00 0.00 H new ATOM 0 HA ASP A 48 3.380 4.611 -8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.702 3.307 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.383 3.771 -11.035 1.00 0.00 H new ATOM 724 N LYS A 49 0.807 5.925 -10.284 1.00 0.00 N ATOM 725 CA LYS A 49 0.284 7.043 -11.095 1.00 0.00 C ATOM 726 C LYS A 49 -0.019 8.276 -10.219 1.00 0.00 C ATOM 727 O LYS A 49 0.261 9.416 -10.606 1.00 0.00 O ATOM 728 CB LYS A 49 -0.989 6.567 -11.845 1.00 0.00 C ATOM 729 CG LYS A 49 -0.762 5.295 -12.695 1.00 0.00 C ATOM 730 CD LYS A 49 -2.049 4.755 -13.361 1.00 0.00 C ATOM 731 CE LYS A 49 -2.599 5.708 -14.435 1.00 0.00 C ATOM 732 NZ LYS A 49 -1.644 5.918 -15.559 1.00 0.00 N ATOM 0 H LYS A 49 0.093 5.245 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 49 1.041 7.345 -11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.778 6.374 -11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.341 7.370 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.026 5.513 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.337 4.516 -12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.841 3.785 -13.812 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.810 4.595 -12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.533 5.307 -14.827 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.832 6.669 -13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.122 6.426 -16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.833 6.478 -15.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.309 4.997 -15.907 1.00 0.00 H new ATOM 746 N ALA A 50 -0.595 8.010 -9.033 1.00 0.00 N ATOM 747 CA ALA A 50 -1.031 9.038 -8.064 1.00 0.00 C ATOM 748 C ALA A 50 0.169 9.762 -7.440 1.00 0.00 C ATOM 749 O ALA A 50 0.239 10.997 -7.433 1.00 0.00 O ATOM 750 CB ALA A 50 -1.891 8.393 -6.959 1.00 0.00 C ATOM 0 H ALA A 50 -0.775 7.058 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.627 9.775 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.207 9.159 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.769 7.928 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.305 7.636 -6.438 1.00 0.00 H new ATOM 756 N PHE A 51 1.109 8.965 -6.914 1.00 0.00 N ATOM 757 CA PHE A 51 2.300 9.461 -6.201 1.00 0.00 C ATOM 758 C PHE A 51 3.460 9.737 -7.171 1.00 0.00 C ATOM 759 O PHE A 51 4.329 10.563 -6.876 1.00 0.00 O ATOM 760 CB PHE A 51 2.725 8.446 -5.112 1.00 0.00 C ATOM 761 CG PHE A 51 1.675 8.245 -4.010 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.573 7.412 -4.213 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.792 8.881 -2.773 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.371 7.223 -3.223 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.845 8.689 -1.785 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.230 7.857 -2.011 1.00 0.00 C ATOM 0 H PHE A 51 1.066 7.947 -6.971 1.00 0.00 H new ATOM 0 HA PHE A 51 2.043 10.406 -5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.931 7.485 -5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.656 8.784 -4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.457 6.907 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.633 9.532 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.219 6.578 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.948 9.192 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.964 7.702 -1.234 1.00 0.00 H new ATOM 776 N GLY A 52 3.453 9.050 -8.331 1.00 0.00 N ATOM 777 CA GLY A 52 4.539 9.156 -9.312 1.00 0.00 C ATOM 778 C GLY A 52 5.789 8.445 -8.827 1.00 0.00 C ATOM 779 O GLY A 52 6.871 9.033 -8.782 1.00 0.00 O ATOM 0 H GLY A 52 2.703 8.416 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.218 8.726 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.764 10.206 -9.497 1.00 0.00 H new ATOM 783 N ILE A 53 5.615 7.169 -8.435 1.00 0.00 N ATOM 784 CA ILE A 53 6.687 6.316 -7.868 1.00 0.00 C ATOM 785 C ILE A 53 6.652 4.914 -8.504 1.00 0.00 C ATOM 786 O ILE A 53 5.860 4.652 -9.415 1.00 0.00 O ATOM 787 CB ILE A 53 6.556 6.172 -6.300 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.166 5.564 -5.907 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.816 7.516 -5.580 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.985 5.335 -4.420 1.00 0.00 C ATOM 0 H ILE A 53 4.716 6.692 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 53 7.635 6.804 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 53 7.327 5.478 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.378 6.230 -6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.037 4.615 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.717 7.377 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.823 7.863 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.091 8.256 -5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.997 4.913 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.748 4.644 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.079 6.284 -3.892 1.00 0.00 H new ATOM 802 N LYS A 54 7.536 4.034 -8.015 1.00 0.00 N ATOM 803 CA LYS A 54 7.571 2.622 -8.380 1.00 0.00 C ATOM 804 C LYS A 54 7.330 1.791 -7.111 1.00 0.00 C ATOM 805 O LYS A 54 8.174 1.778 -6.207 1.00 0.00 O ATOM 806 CB LYS A 54 8.944 2.281 -9.015 1.00 0.00 C ATOM 807 CG LYS A 54 9.081 0.822 -9.498 1.00 0.00 C ATOM 808 CD LYS A 54 10.496 0.494 -10.035 1.00 0.00 C ATOM 809 CE LYS A 54 11.579 0.547 -8.938 1.00 0.00 C ATOM 810 NZ LYS A 54 12.936 0.341 -9.492 1.00 0.00 N ATOM 0 H LYS A 54 8.258 4.294 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 54 6.797 2.395 -9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.115 2.948 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.728 2.484 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.846 0.148 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.348 0.634 -10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.488 -0.499 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.752 1.199 -10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.536 1.511 -8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.373 -0.216 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.635 0.384 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.985 -0.590 -9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.143 1.084 -10.190 1.00 0.00 H new ATOM 824 N LEU A 55 6.159 1.145 -7.030 1.00 0.00 N ATOM 825 CA LEU A 55 5.824 0.196 -5.957 1.00 0.00 C ATOM 826 C LEU A 55 5.884 -1.224 -6.568 1.00 0.00 C ATOM 827 O LEU A 55 4.946 -1.621 -7.268 1.00 0.00 O ATOM 828 CB LEU A 55 4.406 0.534 -5.371 1.00 0.00 C ATOM 829 CG LEU A 55 4.015 -0.140 -3.999 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.812 0.571 -3.345 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.714 -1.656 -4.128 1.00 0.00 C ATOM 0 H LEU A 55 5.411 1.267 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 55 6.527 0.260 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.340 1.615 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.658 0.252 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 55 4.892 -0.032 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.569 0.082 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.064 1.615 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.952 0.520 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.452 -2.059 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.882 -1.804 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.596 -2.171 -4.508 1.00 0.00 H new ATOM 843 N PRO A 56 7.007 -1.989 -6.381 1.00 0.00 N ATOM 844 CA PRO A 56 7.127 -3.363 -6.914 1.00 0.00 C ATOM 845 C PRO A 56 6.510 -4.400 -5.947 1.00 0.00 C ATOM 846 O PRO A 56 7.212 -5.021 -5.133 1.00 0.00 O ATOM 847 CB PRO A 56 8.663 -3.512 -7.075 1.00 0.00 C ATOM 848 CG PRO A 56 9.251 -2.681 -5.963 1.00 0.00 C ATOM 849 CD PRO A 56 8.245 -1.578 -5.658 1.00 0.00 C ATOM 0 HA PRO A 56 6.588 -3.535 -7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.970 -4.555 -6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.994 -3.157 -8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.434 -3.292 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.210 -2.258 -6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.067 -1.489 -4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.603 -0.608 -6.004 1.00 0.00 H new ATOM 857 N LEU A 57 5.181 -4.598 -6.066 1.00 0.00 N ATOM 858 CA LEU A 57 4.417 -5.446 -5.133 1.00 0.00 C ATOM 859 C LEU A 57 4.771 -6.930 -5.300 1.00 0.00 C ATOM 860 O LEU A 57 4.748 -7.678 -4.327 1.00 0.00 O ATOM 861 CB LEU A 57 2.888 -5.273 -5.289 1.00 0.00 C ATOM 862 CG LEU A 57 2.038 -6.069 -4.244 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.233 -5.520 -2.805 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.558 -6.116 -4.642 1.00 0.00 C ATOM 0 H LEU A 57 4.614 -4.179 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 57 4.701 -5.114 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.644 -4.214 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.599 -5.590 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 57 2.404 -7.096 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.626 -6.099 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.283 -5.600 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.927 -4.474 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.002 -6.677 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.166 -5.101 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.457 -6.604 -5.611 1.00 0.00 H new ATOM 876 N GLU A 58 5.101 -7.349 -6.536 1.00 0.00 N ATOM 877 CA GLU A 58 5.479 -8.745 -6.827 1.00 0.00 C ATOM 878 C GLU A 58 6.729 -9.148 -6.028 1.00 0.00 C ATOM 879 O GLU A 58 6.864 -10.301 -5.628 1.00 0.00 O ATOM 880 CB GLU A 58 5.732 -8.967 -8.337 1.00 0.00 C ATOM 881 CG GLU A 58 6.876 -8.124 -8.929 1.00 0.00 C ATOM 882 CD GLU A 58 7.244 -8.535 -10.358 1.00 0.00 C ATOM 883 OE1 GLU A 58 6.460 -8.252 -11.285 1.00 0.00 O ATOM 884 OE2 GLU A 58 8.309 -9.157 -10.560 1.00 0.00 O ATOM 0 H GLU A 58 5.113 -6.738 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 58 4.641 -9.374 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.952 -10.021 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.815 -8.743 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.587 -7.073 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.756 -8.217 -8.292 1.00 0.00 H new ATOM 891 N LYS A 59 7.612 -8.160 -5.783 1.00 0.00 N ATOM 892 CA LYS A 59 8.844 -8.342 -5.017 1.00 0.00 C ATOM 893 C LYS A 59 8.535 -8.303 -3.511 1.00 0.00 C ATOM 894 O LYS A 59 9.095 -9.081 -2.758 1.00 0.00 O ATOM 895 CB LYS A 59 9.879 -7.251 -5.373 1.00 0.00 C ATOM 896 CG LYS A 59 11.258 -7.439 -4.686 1.00 0.00 C ATOM 897 CD LYS A 59 12.179 -6.216 -4.871 1.00 0.00 C ATOM 898 CE LYS A 59 11.604 -4.942 -4.214 1.00 0.00 C ATOM 899 NZ LYS A 59 12.476 -3.771 -4.436 1.00 0.00 N ATOM 0 H LYS A 59 7.481 -7.206 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 59 9.268 -9.313 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.022 -7.239 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.476 -6.278 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.109 -7.620 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.747 -8.323 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.157 -6.433 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.330 -6.036 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.613 -4.739 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.483 -5.108 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.057 -2.935 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.414 -3.955 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.571 -3.598 -5.457 1.00 0.00 H new ATOM 913 N TRP A 60 7.637 -7.376 -3.102 1.00 0.00 N ATOM 914 CA TRP A 60 7.190 -7.222 -1.691 1.00 0.00 C ATOM 915 C TRP A 60 6.549 -8.528 -1.182 1.00 0.00 C ATOM 916 O TRP A 60 6.865 -9.014 -0.090 1.00 0.00 O ATOM 917 CB TRP A 60 6.181 -6.037 -1.559 1.00 0.00 C ATOM 918 CG TRP A 60 6.787 -4.657 -1.731 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.014 -4.336 -2.245 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.182 -3.409 -1.361 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.192 -2.980 -2.224 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.097 -2.392 -1.680 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.962 -3.057 -0.783 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.834 -1.047 -1.443 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.698 -1.723 -0.550 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.629 -0.733 -0.882 1.00 0.00 C ATOM 0 H TRP A 60 7.199 -6.711 -3.740 1.00 0.00 H new ATOM 0 HA TRP A 60 8.064 -7.001 -1.079 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.393 -6.166 -2.301 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.708 -6.090 -0.579 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.736 -5.049 -2.613 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.018 -2.488 -2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.238 -3.815 -0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.554 -0.282 -1.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.757 -1.438 -0.104 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.390 0.303 -0.690 1.00 0.00 H new ATOM 937 N THR A 61 5.676 -9.100 -2.020 1.00 0.00 N ATOM 938 CA THR A 61 4.985 -10.367 -1.770 1.00 0.00 C ATOM 939 C THR A 61 5.946 -11.568 -1.894 1.00 0.00 C ATOM 940 O THR A 61 5.768 -12.580 -1.210 1.00 0.00 O ATOM 941 CB THR A 61 3.772 -10.508 -2.760 1.00 0.00 C ATOM 942 OG1 THR A 61 2.923 -9.347 -2.637 1.00 0.00 O ATOM 943 CG2 THR A 61 2.928 -11.773 -2.506 1.00 0.00 C ATOM 0 H THR A 61 5.425 -8.681 -2.915 1.00 0.00 H new ATOM 0 HA THR A 61 4.610 -10.364 -0.747 1.00 0.00 H new ATOM 0 HB THR A 61 4.187 -10.592 -3.764 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.363 -8.575 -3.051 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.107 -11.812 -3.222 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.554 -12.658 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.526 -11.745 -1.493 1.00 0.00 H new ATOM 951 N GLN A 62 6.993 -11.431 -2.735 1.00 0.00 N ATOM 952 CA GLN A 62 8.033 -12.465 -2.918 1.00 0.00 C ATOM 953 C GLN A 62 8.953 -12.528 -1.685 1.00 0.00 C ATOM 954 O GLN A 62 9.437 -13.596 -1.311 1.00 0.00 O ATOM 955 CB GLN A 62 8.868 -12.190 -4.199 1.00 0.00 C ATOM 956 CG GLN A 62 9.822 -13.321 -4.614 1.00 0.00 C ATOM 957 CD GLN A 62 9.103 -14.626 -4.954 1.00 0.00 C ATOM 958 OE1 GLN A 62 8.894 -15.491 -4.103 1.00 0.00 O ATOM 959 NE2 GLN A 62 8.675 -14.760 -6.197 1.00 0.00 N ATOM 0 H GLN A 62 7.141 -10.599 -3.307 1.00 0.00 H new ATOM 0 HA GLN A 62 7.536 -13.428 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.184 -11.993 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.452 -11.282 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.402 -12.998 -5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.530 -13.504 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.862 -14.028 -6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.158 -15.595 -6.471 1.00 0.00 H new ATOM 968 N GLU A 63 9.191 -11.357 -1.073 1.00 0.00 N ATOM 969 CA GLU A 63 9.943 -11.232 0.189 1.00 0.00 C ATOM 970 C GLU A 63 9.193 -11.936 1.321 1.00 0.00 C ATOM 971 O GLU A 63 9.804 -12.510 2.212 1.00 0.00 O ATOM 972 CB GLU A 63 10.216 -9.739 0.524 1.00 0.00 C ATOM 973 CG GLU A 63 11.209 -9.062 -0.446 1.00 0.00 C ATOM 974 CD GLU A 63 11.417 -7.572 -0.148 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.264 -7.243 0.720 1.00 0.00 O ATOM 976 OE2 GLU A 63 10.730 -6.718 -0.755 1.00 0.00 O ATOM 0 H GLU A 63 8.865 -10.463 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 63 10.911 -11.720 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.273 -9.192 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.606 -9.668 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.169 -9.575 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.845 -9.175 -1.467 1.00 0.00 H new ATOM 983 N VAL A 64 7.862 -11.918 1.247 1.00 0.00 N ATOM 984 CA VAL A 64 7.011 -12.666 2.175 1.00 0.00 C ATOM 985 C VAL A 64 7.121 -14.184 1.891 1.00 0.00 C ATOM 986 O VAL A 64 7.243 -14.983 2.828 1.00 0.00 O ATOM 987 CB VAL A 64 5.517 -12.194 2.099 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.626 -12.977 3.091 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.405 -10.667 2.336 1.00 0.00 C ATOM 0 H VAL A 64 7.345 -11.388 0.546 1.00 0.00 H new ATOM 0 HA VAL A 64 7.362 -12.468 3.188 1.00 0.00 H new ATOM 0 HB VAL A 64 5.154 -12.407 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.597 -12.625 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.665 -14.040 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.987 -12.819 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.359 -10.366 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.799 -10.422 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.978 -10.138 1.575 1.00 0.00 H new ATOM 999 N ASN A 65 7.102 -14.558 0.588 1.00 0.00 N ATOM 1000 CA ASN A 65 7.218 -15.969 0.133 1.00 0.00 C ATOM 1001 C ASN A 65 8.525 -16.633 0.619 1.00 0.00 C ATOM 1002 O ASN A 65 8.513 -17.768 1.102 1.00 0.00 O ATOM 1003 CB ASN A 65 7.146 -16.075 -1.421 1.00 0.00 C ATOM 1004 CG ASN A 65 5.814 -15.626 -2.023 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.770 -15.742 -1.391 1.00 0.00 O ATOM 1006 ND2 ASN A 65 5.837 -15.127 -3.254 1.00 0.00 N ATOM 0 H ASN A 65 7.006 -13.891 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 65 6.372 -16.497 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.947 -15.474 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.332 -17.109 -1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.970 -14.828 -3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.722 -15.043 -3.754 1.00 0.00 H new ATOM 1013 N ASP A 66 9.650 -15.912 0.492 1.00 0.00 N ATOM 1014 CA ASP A 66 10.998 -16.419 0.836 1.00 0.00 C ATOM 1015 C ASP A 66 11.320 -16.221 2.333 1.00 0.00 C ATOM 1016 O ASP A 66 12.296 -16.785 2.834 1.00 0.00 O ATOM 1017 CB ASP A 66 12.075 -15.721 -0.038 1.00 0.00 C ATOM 1018 CG ASP A 66 11.954 -16.038 -1.545 1.00 0.00 C ATOM 1019 OD1 ASP A 66 12.027 -17.233 -1.907 1.00 0.00 O ATOM 1020 OD2 ASP A 66 11.822 -15.103 -2.371 1.00 0.00 O ATOM 0 H ASP A 66 9.655 -14.953 0.145 1.00 0.00 H new ATOM 0 HA ASP A 66 11.008 -17.490 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.002 -14.643 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.063 -16.023 0.309 1.00 0.00 H new ATOM 1025 N GLY A 67 10.486 -15.428 3.033 1.00 0.00 N ATOM 1026 CA GLY A 67 10.709 -15.103 4.449 1.00 0.00 C ATOM 1027 C GLY A 67 11.745 -14.001 4.667 1.00 0.00 C ATOM 1028 O GLY A 67 12.297 -13.868 5.762 1.00 0.00 O ATOM 0 H GLY A 67 9.649 -15.001 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.764 -14.795 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.032 -16.003 4.973 1.00 0.00 H new ATOM 1032 N LYS A 68 12.001 -13.213 3.610 1.00 0.00 N ATOM 1033 CA LYS A 68 12.868 -12.021 3.661 1.00 0.00 C ATOM 1034 C LYS A 68 12.184 -10.888 4.470 1.00 0.00 C ATOM 1035 O LYS A 68 12.862 -10.042 5.065 1.00 0.00 O ATOM 1036 CB LYS A 68 13.173 -11.517 2.222 1.00 0.00 C ATOM 1037 CG LYS A 68 13.714 -12.583 1.239 1.00 0.00 C ATOM 1038 CD LYS A 68 15.101 -13.148 1.627 1.00 0.00 C ATOM 1039 CE LYS A 68 16.218 -12.085 1.600 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.534 -12.650 1.992 1.00 0.00 N ATOM 0 H LYS A 68 11.608 -13.386 2.685 1.00 0.00 H new ATOM 0 HA LYS A 68 13.801 -12.297 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.260 -11.094 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.899 -10.707 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.001 -13.405 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.777 -12.146 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.044 -13.580 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.361 -13.957 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.290 -11.660 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.958 -11.269 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.256 -11.902 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.474 -13.033 2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.795 -13.411 1.333 1.00 0.00 H new ATOM 1054 N ALA A 69 10.835 -10.905 4.484 1.00 0.00 N ATOM 1055 CA ALA A 69 10.004 -9.862 5.114 1.00 0.00 C ATOM 1056 C ALA A 69 8.588 -10.402 5.394 1.00 0.00 C ATOM 1057 O ALA A 69 8.234 -11.501 4.953 1.00 0.00 O ATOM 1058 CB ALA A 69 9.950 -8.605 4.223 1.00 0.00 C ATOM 0 H ALA A 69 10.288 -11.651 4.054 1.00 0.00 H new ATOM 0 HA ALA A 69 10.455 -9.582 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.333 -7.845 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.958 -8.216 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.521 -8.863 3.255 1.00 0.00 H new ATOM 1064 N THR A 70 7.793 -9.617 6.145 1.00 0.00 N ATOM 1065 CA THR A 70 6.409 -9.982 6.524 1.00 0.00 C ATOM 1066 C THR A 70 5.369 -9.141 5.746 1.00 0.00 C ATOM 1067 O THR A 70 5.686 -8.055 5.233 1.00 0.00 O ATOM 1068 CB THR A 70 6.184 -9.822 8.070 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.834 -10.172 8.420 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.479 -8.395 8.569 1.00 0.00 C ATOM 0 H THR A 70 8.089 -8.711 6.508 1.00 0.00 H new ATOM 0 HA THR A 70 6.269 -11.030 6.259 1.00 0.00 H new ATOM 0 HB THR A 70 6.887 -10.499 8.556 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.709 -10.069 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.307 -8.343 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.517 -8.142 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.822 -7.689 8.061 1.00 0.00 H new ATOM 1078 N THR A 71 4.129 -9.678 5.671 1.00 0.00 N ATOM 1079 CA THR A 71 2.963 -8.990 5.078 1.00 0.00 C ATOM 1080 C THR A 71 2.630 -7.710 5.861 1.00 0.00 C ATOM 1081 O THR A 71 2.219 -6.711 5.277 1.00 0.00 O ATOM 1082 CB THR A 71 1.697 -9.904 5.076 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.456 -10.385 6.404 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.821 -11.087 4.120 1.00 0.00 C ATOM 0 H THR A 71 3.910 -10.609 6.024 1.00 0.00 H new ATOM 0 HA THR A 71 3.232 -8.744 4.051 1.00 0.00 H new ATOM 0 HB THR A 71 0.861 -9.297 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.661 -10.958 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.911 -11.686 4.162 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.967 -10.720 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.673 -11.701 4.410 1.00 0.00 H new ATOM 1092 N GLU A 72 2.802 -7.776 7.196 1.00 0.00 N ATOM 1093 CA GLU A 72 2.532 -6.652 8.119 1.00 0.00 C ATOM 1094 C GLU A 72 3.280 -5.372 7.676 1.00 0.00 C ATOM 1095 O GLU A 72 2.718 -4.273 7.673 1.00 0.00 O ATOM 1096 CB GLU A 72 2.940 -7.070 9.562 1.00 0.00 C ATOM 1097 CG GLU A 72 2.699 -6.003 10.655 1.00 0.00 C ATOM 1098 CD GLU A 72 3.049 -6.497 12.071 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.240 -6.466 12.447 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.138 -6.923 12.812 1.00 0.00 O ATOM 0 H GLU A 72 3.135 -8.616 7.669 1.00 0.00 H new ATOM 0 HA GLU A 72 1.467 -6.421 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.389 -7.971 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.998 -7.332 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.294 -5.119 10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.653 -5.698 10.632 1.00 0.00 H new ATOM 1107 N GLN A 73 4.534 -5.568 7.256 1.00 0.00 N ATOM 1108 CA GLN A 73 5.434 -4.493 6.803 1.00 0.00 C ATOM 1109 C GLN A 73 4.911 -3.783 5.526 1.00 0.00 C ATOM 1110 O GLN A 73 5.110 -2.575 5.352 1.00 0.00 O ATOM 1111 CB GLN A 73 6.849 -5.099 6.567 1.00 0.00 C ATOM 1112 CG GLN A 73 7.921 -4.117 6.042 1.00 0.00 C ATOM 1113 CD GLN A 73 9.330 -4.729 5.925 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.708 -5.583 6.863 1.00 0.00 O flip ATOM 1115 NE2 GLN A 73 10.101 -4.382 5.032 1.00 0.00 N flip ATOM 0 H GLN A 73 4.963 -6.493 7.219 1.00 0.00 H new ATOM 0 HA GLN A 73 5.479 -3.726 7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.202 -5.525 7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.758 -5.921 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.614 -3.750 5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.965 -3.254 6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.791 -3.723 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.051 -4.753 5.005 1.00 0.00 H new ATOM 1124 N TYR A 74 4.211 -4.532 4.652 1.00 0.00 N ATOM 1125 CA TYR A 74 3.846 -4.065 3.294 1.00 0.00 C ATOM 1126 C TYR A 74 2.331 -3.884 3.081 1.00 0.00 C ATOM 1127 O TYR A 74 1.929 -3.348 2.046 1.00 0.00 O ATOM 1128 CB TYR A 74 4.392 -5.072 2.249 1.00 0.00 C ATOM 1129 CG TYR A 74 5.927 -5.191 2.220 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.733 -4.046 2.158 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.569 -6.432 2.224 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.103 -4.139 2.100 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.945 -6.519 2.170 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.701 -5.370 2.110 1.00 0.00 C ATOM 1135 OH TYR A 74 10.069 -5.451 2.057 1.00 0.00 O ATOM 0 H TYR A 74 3.882 -5.474 4.863 1.00 0.00 H new ATOM 0 HA TYR A 74 4.294 -3.079 3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.968 -6.055 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.044 -4.774 1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.268 -3.071 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.980 -7.336 2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.705 -3.244 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.427 -7.485 2.175 1.00 0.00 H new ATOM 0 HH TYR A 74 10.342 -6.392 2.073 1.00 0.00 H new ATOM 1145 N PHE A 75 1.486 -4.314 4.037 1.00 0.00 N ATOM 1146 CA PHE A 75 0.017 -4.390 3.827 1.00 0.00 C ATOM 1147 C PHE A 75 -0.778 -3.681 4.946 1.00 0.00 C ATOM 1148 O PHE A 75 -1.893 -3.220 4.675 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.440 -5.871 3.673 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.006 -6.557 2.360 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.232 -7.198 2.249 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.839 -6.558 1.240 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.618 -7.812 1.066 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.453 -7.173 0.059 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.776 -7.797 -0.027 1.00 0.00 C ATOM 0 H PHE A 75 1.789 -4.615 4.963 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.201 -3.858 2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.047 -6.445 4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.527 -5.909 3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.899 -7.215 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.801 -6.071 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.578 -8.302 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.114 -7.164 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.078 -8.273 -0.949 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.248 -3.617 6.201 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.849 -2.745 7.257 1.00 0.00 C ATOM 1167 C VAL A 76 -0.767 -1.299 6.768 1.00 0.00 C ATOM 1168 O VAL A 76 0.308 -0.848 6.469 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.145 -2.850 8.664 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.738 -1.837 9.678 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.244 -4.268 9.230 1.00 0.00 C ATOM 0 H VAL A 76 0.572 -4.143 6.503 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.874 -3.082 7.409 1.00 0.00 H new ATOM 0 HB VAL A 76 0.906 -2.606 8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.227 -1.940 10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.602 -0.823 9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.802 -2.035 9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.251 -4.308 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.293 -4.541 9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.240 -4.967 8.547 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.897 -0.590 6.734 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.035 0.646 5.928 1.00 0.00 C ATOM 1183 C LEU A 77 -1.065 1.771 6.338 1.00 0.00 C ATOM 1184 O LEU A 77 -0.632 2.544 5.486 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.491 1.144 5.958 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.562 0.103 5.516 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.931 0.767 5.339 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.134 -0.674 4.247 1.00 0.00 C ATOM 0 H LEU A 77 -2.737 -0.843 7.253 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.760 0.376 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.724 1.472 6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.571 2.019 5.313 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.648 -0.633 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.661 0.019 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.245 1.212 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.863 1.544 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.912 -1.388 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.983 0.026 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.204 -1.208 4.444 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.757 1.868 7.644 1.00 0.00 N ATOM 1201 CA LYS A 78 0.253 2.827 8.158 1.00 0.00 C ATOM 1202 C LYS A 78 1.688 2.394 7.774 1.00 0.00 C ATOM 1203 O LYS A 78 2.529 3.246 7.463 1.00 0.00 O ATOM 1204 CB LYS A 78 0.118 3.012 9.696 1.00 0.00 C ATOM 1205 CG LYS A 78 0.290 1.724 10.532 1.00 0.00 C ATOM 1206 CD LYS A 78 0.048 1.949 12.041 1.00 0.00 C ATOM 1207 CE LYS A 78 0.124 0.647 12.859 1.00 0.00 C ATOM 1208 NZ LYS A 78 -0.134 0.873 14.306 1.00 0.00 N ATOM 0 H LYS A 78 -1.191 1.295 8.368 1.00 0.00 H new ATOM 0 HA LYS A 78 0.062 3.791 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.859 3.741 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.863 3.436 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.402 0.965 10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.297 1.333 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.786 2.655 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.932 2.405 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.602 -0.067 12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.110 0.199 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.072 -0.032 14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.574 1.533 14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.085 1.276 14.430 1.00 0.00 H new ATOM 1222 N ASN A 79 1.956 1.071 7.796 1.00 0.00 N ATOM 1223 CA ASN A 79 3.268 0.491 7.412 1.00 0.00 C ATOM 1224 C ASN A 79 3.498 0.673 5.906 1.00 0.00 C ATOM 1225 O ASN A 79 4.561 1.117 5.482 1.00 0.00 O ATOM 1226 CB ASN A 79 3.331 -1.022 7.779 1.00 0.00 C ATOM 1227 CG ASN A 79 3.243 -1.320 9.283 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.629 -0.576 10.049 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.857 -2.411 9.711 1.00 0.00 N ATOM 0 H ASN A 79 1.270 0.371 8.080 1.00 0.00 H new ATOM 0 HA ASN A 79 4.051 1.013 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.517 -1.540 7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.262 -1.437 7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.830 -2.656 10.701 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.357 -3.007 9.051 1.00 0.00 H new ATOM 1236 N LEU A 80 2.473 0.293 5.130 1.00 0.00 N ATOM 1237 CA LEU A 80 2.348 0.536 3.689 1.00 0.00 C ATOM 1238 C LEU A 80 2.560 2.024 3.347 1.00 0.00 C ATOM 1239 O LEU A 80 3.314 2.347 2.435 1.00 0.00 O ATOM 1240 CB LEU A 80 0.934 0.085 3.221 1.00 0.00 C ATOM 1241 CG LEU A 80 0.524 0.465 1.762 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.387 -0.270 0.702 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.987 0.229 1.540 1.00 0.00 C ATOM 0 H LEU A 80 1.673 -0.215 5.508 1.00 0.00 H new ATOM 0 HA LEU A 80 3.118 -0.037 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.872 -0.999 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.198 0.510 3.903 1.00 0.00 H new ATOM 0 HG LEU A 80 0.719 1.529 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.066 0.025 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.435 -0.005 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.267 -1.347 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.251 0.500 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.220 -0.822 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.557 0.843 2.237 1.00 0.00 H new ATOM 1255 N ALA A 81 1.894 2.912 4.113 1.00 0.00 N ATOM 1256 CA ALA A 81 1.981 4.370 3.914 1.00 0.00 C ATOM 1257 C ALA A 81 3.391 4.880 4.238 1.00 0.00 C ATOM 1258 O ALA A 81 3.804 5.893 3.707 1.00 0.00 O ATOM 1259 CB ALA A 81 0.929 5.111 4.756 1.00 0.00 C ATOM 0 H ALA A 81 1.284 2.638 4.883 1.00 0.00 H new ATOM 0 HA ALA A 81 1.774 4.575 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.018 6.184 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.068 4.780 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.090 4.895 5.812 1.00 0.00 H new ATOM 1265 N ALA A 82 4.105 4.157 5.122 1.00 0.00 N ATOM 1266 CA ALA A 82 5.505 4.459 5.459 1.00 0.00 C ATOM 1267 C ALA A 82 6.451 3.997 4.326 1.00 0.00 C ATOM 1268 O ALA A 82 7.440 4.674 4.029 1.00 0.00 O ATOM 1269 CB ALA A 82 5.881 3.810 6.797 1.00 0.00 C ATOM 0 H ALA A 82 3.727 3.351 5.620 1.00 0.00 H new ATOM 0 HA ALA A 82 5.615 5.538 5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.919 4.041 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.234 4.197 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.757 2.729 6.725 1.00 0.00 H new ATOM 1275 N ARG A 83 6.146 2.818 3.731 1.00 0.00 N ATOM 1276 CA ARG A 83 6.867 2.285 2.554 1.00 0.00 C ATOM 1277 C ARG A 83 6.774 3.267 1.372 1.00 0.00 C ATOM 1278 O ARG A 83 7.772 3.594 0.735 1.00 0.00 O ATOM 1279 CB ARG A 83 6.287 0.906 2.109 1.00 0.00 C ATOM 1280 CG ARG A 83 6.303 -0.232 3.157 1.00 0.00 C ATOM 1281 CD ARG A 83 7.701 -0.498 3.742 1.00 0.00 C ATOM 1282 NE ARG A 83 8.714 -0.779 2.700 1.00 0.00 N ATOM 1283 CZ ARG A 83 9.846 -0.072 2.505 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.113 0.985 3.245 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.704 -0.438 1.574 1.00 0.00 N ATOM 0 H ARG A 83 5.393 2.211 4.055 1.00 0.00 H new ATOM 0 HA ARG A 83 7.909 2.155 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.256 1.059 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.845 0.570 1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.619 0.020 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.929 -1.146 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.017 0.367 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.648 -1.343 4.428 1.00 0.00 H new ATOM 0 HE ARG A 83 8.542 -1.570 2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.461 1.275 3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.972 1.513 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.513 -1.258 0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.559 0.099 1.429 1.00 0.00 H new ATOM 1299 N ILE A 84 5.541 3.721 1.117 1.00 0.00 N ATOM 1300 CA ILE A 84 5.202 4.665 0.040 1.00 0.00 C ATOM 1301 C ILE A 84 5.809 6.046 0.332 1.00 0.00 C ATOM 1302 O ILE A 84 6.331 6.688 -0.572 1.00 0.00 O ATOM 1303 CB ILE A 84 3.641 4.755 -0.141 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.085 3.366 -0.582 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.217 5.875 -1.136 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.579 3.270 -0.601 1.00 0.00 C ATOM 0 H ILE A 84 4.730 3.436 1.666 1.00 0.00 H new ATOM 0 HA ILE A 84 5.627 4.300 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 84 3.208 5.027 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.463 3.138 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.476 2.602 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.131 5.892 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.567 6.840 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.656 5.678 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.282 2.271 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.189 3.463 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.176 4.007 -1.296 1.00 0.00 H new ATOM 1318 N ASP A 85 5.713 6.487 1.601 1.00 0.00 N ATOM 1319 CA ASP A 85 6.375 7.724 2.078 1.00 0.00 C ATOM 1320 C ASP A 85 7.893 7.691 1.839 1.00 0.00 C ATOM 1321 O ASP A 85 8.497 8.722 1.530 1.00 0.00 O ATOM 1322 CB ASP A 85 6.081 7.968 3.574 1.00 0.00 C ATOM 1323 CG ASP A 85 6.648 9.304 4.084 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.072 10.362 3.757 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.671 9.303 4.806 1.00 0.00 O ATOM 0 H ASP A 85 5.179 6.002 2.322 1.00 0.00 H new ATOM 0 HA ASP A 85 5.961 8.549 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.003 7.951 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.504 7.152 4.160 1.00 0.00 H new ATOM 1330 N GLU A 86 8.486 6.498 1.991 1.00 0.00 N ATOM 1331 CA GLU A 86 9.910 6.287 1.708 1.00 0.00 C ATOM 1332 C GLU A 86 10.192 6.469 0.211 1.00 0.00 C ATOM 1333 O GLU A 86 11.171 7.102 -0.148 1.00 0.00 O ATOM 1334 CB GLU A 86 10.360 4.885 2.173 1.00 0.00 C ATOM 1335 CG GLU A 86 11.848 4.579 1.915 1.00 0.00 C ATOM 1336 CD GLU A 86 12.260 3.182 2.384 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.478 2.994 3.599 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.330 2.246 1.553 1.00 0.00 O ATOM 0 H GLU A 86 7.997 5.662 2.310 1.00 0.00 H new ATOM 0 HA GLU A 86 10.481 7.031 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.161 4.788 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.753 4.135 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.053 4.674 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.460 5.323 2.425 1.00 0.00 H new ATOM 1345 N LEU A 87 9.319 5.896 -0.634 1.00 0.00 N ATOM 1346 CA LEU A 87 9.427 5.979 -2.111 1.00 0.00 C ATOM 1347 C LEU A 87 9.266 7.435 -2.633 1.00 0.00 C ATOM 1348 O LEU A 87 9.997 7.853 -3.541 1.00 0.00 O ATOM 1349 CB LEU A 87 8.384 5.039 -2.782 1.00 0.00 C ATOM 1350 CG LEU A 87 8.480 3.523 -2.393 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.341 2.694 -3.028 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.865 2.929 -2.743 1.00 0.00 C ATOM 0 H LEU A 87 8.513 5.358 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 87 10.431 5.651 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.386 5.397 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.489 5.124 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 87 8.362 3.466 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.444 1.649 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.379 3.075 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.396 2.772 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.892 1.877 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.039 3.019 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.641 3.471 -2.202 1.00 0.00 H new ATOM 1364 N VAL A 88 8.314 8.202 -2.051 1.00 0.00 N ATOM 1365 CA VAL A 88 8.036 9.598 -2.472 1.00 0.00 C ATOM 1366 C VAL A 88 9.116 10.572 -1.944 1.00 0.00 C ATOM 1367 O VAL A 88 9.373 11.620 -2.554 1.00 0.00 O ATOM 1368 CB VAL A 88 6.585 10.083 -2.055 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.499 9.112 -2.583 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.439 10.294 -0.529 1.00 0.00 C ATOM 0 H VAL A 88 7.723 7.877 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 88 8.072 9.604 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 88 6.438 11.057 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.514 9.469 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.551 9.064 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.667 8.118 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.426 10.626 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.638 9.356 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.151 11.050 -0.196 1.00 0.00 H new ATOM 1380 N ALA A 89 9.724 10.223 -0.796 1.00 0.00 N ATOM 1381 CA ALA A 89 10.865 10.976 -0.243 1.00 0.00 C ATOM 1382 C ALA A 89 12.148 10.650 -1.022 1.00 0.00 C ATOM 1383 O ALA A 89 12.994 11.515 -1.211 1.00 0.00 O ATOM 1384 CB ALA A 89 11.043 10.666 1.249 1.00 0.00 C ATOM 0 H ALA A 89 9.443 9.421 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 89 10.660 12.042 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.890 11.231 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.139 10.947 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.227 9.600 1.380 1.00 0.00 H new ATOM 1390 N ALA A 90 12.273 9.371 -1.427 1.00 0.00 N ATOM 1391 CA ALA A 90 13.387 8.855 -2.245 1.00 0.00 C ATOM 1392 C ALA A 90 13.542 9.604 -3.571 1.00 0.00 C ATOM 1393 O ALA A 90 14.649 9.997 -3.930 1.00 0.00 O ATOM 1394 CB ALA A 90 13.203 7.349 -2.510 1.00 0.00 C ATOM 0 H ALA A 90 11.588 8.653 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 90 14.301 9.019 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.032 6.982 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.180 6.813 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.266 7.185 -3.042 1.00 0.00 H new