USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 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 78 LYS NZ :NH3+ 178:sc= 0.834 (180deg=-0.0367) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.069 K(o=0.76,f=-8.7!) USER MOD Set 2.1: A 73 GLN : amide:sc=-0.00571 X(o=0.7,f=0.7) USER MOD Set 2.2: A 74 TYR OH : rot -97:sc= 0.704 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-9!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -174:sc= 0.439 USER MOD Single : A 10 THR OG1 : rot 88:sc= 0.213 USER MOD Single : A 15 THR OG1 : rot 78:sc= 0.491 USER MOD Single : A 16 CYS SG : rot -73:sc= -3.39! USER MOD Single : A 22 THR OG1 : rot -11:sc= 1.12 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 27 SER OG : rot 94:sc= 0.31 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= -0.361 (180deg=-2.13!) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.025 (180deg=-0.234) USER MOD Single : A 59 LYS NZ :NH3+ 135:sc= 0.434 (180deg=-0.0391) USER MOD Single : A 61 THR OG1 : rot 81:sc= 0.639 USER MOD Single : A 62 GLN : amide:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.566 K(o=0.57,f=-0.0041) USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= 0.606 (180deg=0.282) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.564 10.625 4.507 1.00 0.00 N ATOM 46 CA THR A 4 0.868 9.615 3.475 1.00 0.00 C ATOM 47 C THR A 4 -0.160 8.455 3.537 1.00 0.00 C ATOM 48 O THR A 4 -0.365 7.749 2.560 1.00 0.00 O ATOM 49 CB THR A 4 2.329 9.084 3.594 1.00 0.00 C ATOM 50 OG1 THR A 4 3.201 10.183 3.896 1.00 0.00 O ATOM 51 CG2 THR A 4 2.801 8.418 2.278 1.00 0.00 C ATOM 0 HA THR A 4 0.786 10.097 2.501 1.00 0.00 H new ATOM 0 HB THR A 4 2.356 8.336 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.132 9.876 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.823 8.060 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.148 7.578 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.764 9.147 1.468 1.00 0.00 H new ATOM 59 N PHE A 5 -0.856 8.335 4.693 1.00 0.00 N ATOM 60 CA PHE A 5 -1.991 7.410 4.862 1.00 0.00 C ATOM 61 C PHE A 5 -3.214 7.900 4.069 1.00 0.00 C ATOM 62 O PHE A 5 -3.894 7.094 3.455 1.00 0.00 O ATOM 63 CB PHE A 5 -2.355 7.222 6.364 1.00 0.00 C ATOM 64 CG PHE A 5 -3.686 6.475 6.605 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.831 5.127 6.267 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.807 7.137 7.134 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.039 4.474 6.447 1.00 0.00 C ATOM 68 CE2 PHE A 5 -6.010 6.475 7.319 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.125 5.149 6.976 1.00 0.00 C ATOM 0 H PHE A 5 -0.643 8.878 5.530 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.687 6.440 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.550 6.675 6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.410 8.202 6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.989 4.587 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.729 8.181 7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.134 3.434 6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.858 7.001 7.733 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.063 4.634 7.119 1.00 0.00 H new ATOM 79 N ASP A 6 -3.462 9.228 4.109 1.00 0.00 N ATOM 80 CA ASP A 6 -4.648 9.879 3.478 1.00 0.00 C ATOM 81 C ASP A 6 -4.853 9.421 2.020 1.00 0.00 C ATOM 82 O ASP A 6 -5.937 8.963 1.635 1.00 0.00 O ATOM 83 CB ASP A 6 -4.476 11.427 3.505 1.00 0.00 C ATOM 84 CG ASP A 6 -5.629 12.205 2.834 1.00 0.00 C ATOM 85 OD1 ASP A 6 -6.721 12.286 3.428 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.450 12.724 1.711 1.00 0.00 O ATOM 0 H ASP A 6 -2.845 9.889 4.581 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.526 9.583 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.388 11.753 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.541 11.686 3.008 1.00 0.00 H new ATOM 91 N ARG A 7 -3.772 9.528 1.246 1.00 0.00 N ATOM 92 CA ARG A 7 -3.773 9.241 -0.197 1.00 0.00 C ATOM 93 C ARG A 7 -3.865 7.728 -0.497 1.00 0.00 C ATOM 94 O ARG A 7 -4.618 7.325 -1.390 1.00 0.00 O ATOM 95 CB ARG A 7 -2.519 9.882 -0.831 1.00 0.00 C ATOM 96 CG ARG A 7 -2.455 11.411 -0.634 1.00 0.00 C ATOM 97 CD ARG A 7 -3.624 12.150 -1.323 1.00 0.00 C ATOM 98 NE ARG A 7 -3.847 13.485 -0.738 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.947 14.632 -1.406 1.00 0.00 C ATOM 100 NH1 ARG A 7 -3.721 14.681 -2.717 1.00 0.00 N ATOM 101 NH2 ARG A 7 -4.269 15.733 -0.745 1.00 0.00 N ATOM 0 H ARG A 7 -2.861 9.818 1.602 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.666 9.679 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.628 9.428 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.504 9.658 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.466 11.637 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.511 11.785 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.414 12.250 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.534 11.556 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.933 13.534 0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.467 13.832 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.801 15.567 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.436 15.694 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.350 16.620 -1.241 1.00 0.00 H new ATOM 115 N VAL A 8 -3.093 6.907 0.252 1.00 0.00 N ATOM 116 CA VAL A 8 -3.149 5.424 0.154 1.00 0.00 C ATOM 117 C VAL A 8 -4.568 4.903 0.488 1.00 0.00 C ATOM 118 O VAL A 8 -5.077 3.996 -0.168 1.00 0.00 O ATOM 119 CB VAL A 8 -2.108 4.739 1.123 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.191 3.195 1.055 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.672 5.219 0.818 1.00 0.00 C ATOM 0 H VAL A 8 -2.418 7.247 0.937 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.897 5.164 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.365 5.039 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.459 2.761 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.191 2.871 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.981 2.864 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.027 4.733 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.414 4.964 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.614 6.299 0.949 1.00 0.00 H new ATOM 131 N ALA A 9 -5.180 5.526 1.505 1.00 0.00 N ATOM 132 CA ALA A 9 -6.515 5.169 2.010 1.00 0.00 C ATOM 133 C ALA A 9 -7.566 5.389 0.917 1.00 0.00 C ATOM 134 O ALA A 9 -8.371 4.508 0.630 1.00 0.00 O ATOM 135 CB ALA A 9 -6.854 6.001 3.265 1.00 0.00 C ATOM 0 H ALA A 9 -4.755 6.305 2.008 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.517 4.115 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.845 5.726 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.116 5.804 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.841 7.061 3.013 1.00 0.00 H new ATOM 141 N THR A 10 -7.510 6.577 0.294 1.00 0.00 N ATOM 142 CA THR A 10 -8.365 6.952 -0.843 1.00 0.00 C ATOM 143 C THR A 10 -8.201 5.976 -2.037 1.00 0.00 C ATOM 144 O THR A 10 -9.190 5.585 -2.656 1.00 0.00 O ATOM 145 CB THR A 10 -8.045 8.418 -1.277 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.335 9.303 -0.194 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.829 8.858 -2.521 1.00 0.00 C ATOM 0 H THR A 10 -6.861 7.314 0.570 1.00 0.00 H new ATOM 0 HA THR A 10 -9.405 6.889 -0.522 1.00 0.00 H new ATOM 0 HB THR A 10 -6.987 8.455 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.545 9.387 0.380 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.564 9.885 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.582 8.204 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.898 8.799 -2.317 1.00 0.00 H new ATOM 155 N ILE A 11 -6.942 5.572 -2.322 1.00 0.00 N ATOM 156 CA ILE A 11 -6.617 4.590 -3.387 1.00 0.00 C ATOM 157 C ILE A 11 -7.338 3.247 -3.129 1.00 0.00 C ATOM 158 O ILE A 11 -8.055 2.736 -3.992 1.00 0.00 O ATOM 159 CB ILE A 11 -5.050 4.372 -3.475 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.327 5.616 -4.094 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.666 3.064 -4.223 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.709 5.906 -5.530 1.00 0.00 C ATOM 0 H ILE A 11 -6.122 5.916 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.966 4.987 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.700 4.259 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.552 6.492 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.250 5.459 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.581 2.967 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.093 2.208 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.055 3.099 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.164 6.782 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.458 5.048 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.780 6.097 -5.590 1.00 0.00 H new ATOM 174 N ILE A 12 -7.141 2.712 -1.914 1.00 0.00 N ATOM 175 CA ILE A 12 -7.723 1.424 -1.471 1.00 0.00 C ATOM 176 C ILE A 12 -9.267 1.481 -1.466 1.00 0.00 C ATOM 177 O ILE A 12 -9.936 0.484 -1.756 1.00 0.00 O ATOM 178 CB ILE A 12 -7.161 1.046 -0.044 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.616 0.807 -0.135 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.888 -0.178 0.581 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.924 0.508 1.180 1.00 0.00 C ATOM 0 H ILE A 12 -6.568 3.162 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.431 0.647 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.356 1.884 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.434 -0.022 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.154 1.691 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.461 -0.393 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.949 0.045 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.763 -1.045 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.859 0.359 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.066 1.345 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.349 -0.395 1.618 1.00 0.00 H new ATOM 193 N ALA A 13 -9.803 2.675 -1.161 1.00 0.00 N ATOM 194 CA ALA A 13 -11.245 2.958 -1.179 1.00 0.00 C ATOM 195 C ALA A 13 -11.834 2.788 -2.583 1.00 0.00 C ATOM 196 O ALA A 13 -12.790 2.031 -2.792 1.00 0.00 O ATOM 197 CB ALA A 13 -11.522 4.380 -0.640 1.00 0.00 C ATOM 0 H ALA A 13 -9.238 3.480 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.735 2.235 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.594 4.574 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.158 4.458 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.009 5.112 -1.264 1.00 0.00 H new ATOM 203 N GLU A 14 -11.218 3.486 -3.545 1.00 0.00 N ATOM 204 CA GLU A 14 -11.657 3.516 -4.947 1.00 0.00 C ATOM 205 C GLU A 14 -11.443 2.162 -5.652 1.00 0.00 C ATOM 206 O GLU A 14 -12.273 1.748 -6.469 1.00 0.00 O ATOM 207 CB GLU A 14 -10.907 4.652 -5.688 1.00 0.00 C ATOM 208 CG GLU A 14 -11.171 6.055 -5.112 1.00 0.00 C ATOM 209 CD GLU A 14 -10.317 7.147 -5.776 1.00 0.00 C ATOM 210 OE1 GLU A 14 -9.102 7.189 -5.516 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.857 7.965 -6.551 1.00 0.00 O ATOM 0 H GLU A 14 -10.389 4.054 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.730 3.709 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.836 4.451 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.198 4.641 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.226 6.300 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.970 6.046 -4.041 1.00 0.00 H new ATOM 218 N THR A 15 -10.324 1.487 -5.325 1.00 0.00 N ATOM 219 CA THR A 15 -9.973 0.184 -5.918 1.00 0.00 C ATOM 220 C THR A 15 -10.886 -0.925 -5.369 1.00 0.00 C ATOM 221 O THR A 15 -11.689 -1.504 -6.102 1.00 0.00 O ATOM 222 CB THR A 15 -8.469 -0.183 -5.638 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.610 0.829 -6.188 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.074 -1.560 -6.219 1.00 0.00 C ATOM 0 H THR A 15 -9.643 1.828 -4.647 1.00 0.00 H new ATOM 0 HA THR A 15 -10.116 0.265 -6.996 1.00 0.00 H new ATOM 0 HB THR A 15 -8.350 -0.237 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.601 1.608 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.026 -1.762 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.696 -2.336 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.221 -1.555 -7.299 1.00 0.00 H new ATOM 232 N CYS A 16 -10.793 -1.172 -4.054 1.00 0.00 N ATOM 233 CA CYS A 16 -11.414 -2.340 -3.403 1.00 0.00 C ATOM 234 C CYS A 16 -12.836 -2.049 -2.882 1.00 0.00 C ATOM 235 O CYS A 16 -13.374 -2.848 -2.111 1.00 0.00 O ATOM 236 CB CYS A 16 -10.497 -2.803 -2.258 1.00 0.00 C ATOM 237 SG CYS A 16 -8.790 -3.036 -2.757 1.00 0.00 S ATOM 0 H CYS A 16 -10.284 -0.567 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.525 -3.129 -4.147 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.535 -2.069 -1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.880 -3.740 -1.853 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.692 -4.112 -3.480 1.00 0.00 H new ATOM 243 N ASP A 17 -13.425 -0.903 -3.292 1.00 0.00 N ATOM 244 CA ASP A 17 -14.826 -0.521 -2.958 1.00 0.00 C ATOM 245 C ASP A 17 -15.041 -0.374 -1.432 1.00 0.00 C ATOM 246 O ASP A 17 -16.179 -0.449 -0.947 1.00 0.00 O ATOM 247 CB ASP A 17 -15.842 -1.537 -3.574 1.00 0.00 C ATOM 248 CG ASP A 17 -15.811 -1.569 -5.113 1.00 0.00 C ATOM 249 OD1 ASP A 17 -14.879 -2.166 -5.697 1.00 0.00 O ATOM 250 OD2 ASP A 17 -16.726 -1.001 -5.756 1.00 0.00 O ATOM 0 H ASP A 17 -12.944 -0.211 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.009 0.458 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.625 -2.535 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.848 -1.281 -3.243 1.00 0.00 H new ATOM 255 N ILE A 18 -13.939 -0.155 -0.690 1.00 0.00 N ATOM 256 CA ILE A 18 -13.958 -0.049 0.785 1.00 0.00 C ATOM 257 C ILE A 18 -14.238 1.410 1.183 1.00 0.00 C ATOM 258 O ILE A 18 -13.491 2.285 0.765 1.00 0.00 O ATOM 259 CB ILE A 18 -12.582 -0.514 1.409 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.241 -1.960 0.949 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.592 -0.415 2.961 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.924 -2.511 1.467 1.00 0.00 C ATOM 0 H ILE A 18 -13.009 -0.046 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.742 -0.701 1.170 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.806 0.161 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.044 -2.624 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.222 -1.982 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.629 -0.743 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.772 0.618 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.382 -1.050 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.780 -3.523 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.105 -1.877 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.940 -2.529 2.557 1.00 0.00 H new ATOM 274 N PRO A 19 -15.321 1.710 1.964 1.00 0.00 N ATOM 275 CA PRO A 19 -15.594 3.092 2.442 1.00 0.00 C ATOM 276 C PRO A 19 -14.379 3.712 3.190 1.00 0.00 C ATOM 277 O PRO A 19 -13.771 3.057 4.037 1.00 0.00 O ATOM 278 CB PRO A 19 -16.821 2.907 3.378 1.00 0.00 C ATOM 279 CG PRO A 19 -17.491 1.667 2.875 1.00 0.00 C ATOM 280 CD PRO A 19 -16.364 0.758 2.427 1.00 0.00 C ATOM 0 HA PRO A 19 -15.782 3.789 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.514 2.798 4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.490 3.767 3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.088 1.198 3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.167 1.892 2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.003 0.132 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.681 0.088 1.628 1.00 0.00 H new ATOM 288 N ARG A 20 -14.041 4.972 2.847 1.00 0.00 N ATOM 289 CA ARG A 20 -12.924 5.740 3.460 1.00 0.00 C ATOM 290 C ARG A 20 -13.078 5.808 5.006 1.00 0.00 C ATOM 291 O ARG A 20 -12.084 5.806 5.748 1.00 0.00 O ATOM 292 CB ARG A 20 -12.887 7.176 2.842 1.00 0.00 C ATOM 293 CG ARG A 20 -11.813 8.123 3.423 1.00 0.00 C ATOM 294 CD ARG A 20 -10.367 7.706 3.090 1.00 0.00 C ATOM 295 NE ARG A 20 -9.404 8.369 3.994 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.625 9.419 3.708 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.556 9.914 2.482 1.00 0.00 N ATOM 298 NH2 ARG A 20 -7.875 9.942 4.664 1.00 0.00 N ATOM 0 H ARG A 20 -14.539 5.496 2.128 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.983 5.232 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.725 7.086 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.865 7.637 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.987 9.130 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.928 8.166 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.267 6.624 3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.139 7.965 2.056 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.325 7.986 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.104 9.494 1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.955 10.715 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.896 9.545 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.276 10.742 4.462 1.00 0.00 H new ATOM 312 N GLU A 21 -14.348 5.845 5.453 1.00 0.00 N ATOM 313 CA GLU A 21 -14.736 5.881 6.883 1.00 0.00 C ATOM 314 C GLU A 21 -14.321 4.587 7.637 1.00 0.00 C ATOM 315 O GLU A 21 -13.950 4.649 8.818 1.00 0.00 O ATOM 316 CB GLU A 21 -16.270 6.126 6.987 1.00 0.00 C ATOM 317 CG GLU A 21 -17.124 5.118 6.192 1.00 0.00 C ATOM 318 CD GLU A 21 -18.602 5.506 6.071 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.913 6.440 5.297 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.460 4.891 6.739 1.00 0.00 O ATOM 0 H GLU A 21 -15.150 5.851 4.822 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.202 6.699 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.563 6.086 8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.491 7.133 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.704 5.013 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.054 4.142 6.672 1.00 0.00 H new ATOM 327 N THR A 22 -14.377 3.425 6.950 1.00 0.00 N ATOM 328 CA THR A 22 -14.028 2.115 7.553 1.00 0.00 C ATOM 329 C THR A 22 -12.512 1.843 7.467 1.00 0.00 C ATOM 330 O THR A 22 -11.986 0.984 8.186 1.00 0.00 O ATOM 331 CB THR A 22 -14.816 0.954 6.864 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.513 0.912 5.463 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.336 1.110 7.030 1.00 0.00 C ATOM 0 H THR A 22 -14.662 3.366 5.972 1.00 0.00 H new ATOM 0 HA THR A 22 -14.312 2.157 8.605 1.00 0.00 H new ATOM 0 HB THR A 22 -14.506 0.029 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.017 1.719 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.843 0.281 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.588 1.109 8.090 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.656 2.051 6.582 1.00 0.00 H new ATOM 341 N ILE A 23 -11.831 2.559 6.565 1.00 0.00 N ATOM 342 CA ILE A 23 -10.373 2.461 6.398 1.00 0.00 C ATOM 343 C ILE A 23 -9.649 3.111 7.595 1.00 0.00 C ATOM 344 O ILE A 23 -9.727 4.322 7.793 1.00 0.00 O ATOM 345 CB ILE A 23 -9.921 3.110 5.037 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.583 2.343 3.851 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.383 3.131 4.896 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.266 2.879 2.476 1.00 0.00 C ATOM 0 H ILE A 23 -12.273 3.223 5.930 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.098 1.407 6.369 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.252 4.148 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.271 1.299 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.664 2.359 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.111 3.586 3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.951 3.710 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.000 2.111 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.775 2.276 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.604 3.913 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.190 2.836 2.308 1.00 0.00 H new ATOM 360 N THR A 24 -8.977 2.277 8.399 1.00 0.00 N ATOM 361 CA THR A 24 -8.198 2.708 9.577 1.00 0.00 C ATOM 362 C THR A 24 -6.702 2.385 9.352 1.00 0.00 C ATOM 363 O THR A 24 -6.398 1.384 8.708 1.00 0.00 O ATOM 364 CB THR A 24 -8.743 1.987 10.862 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.771 0.565 10.642 1.00 0.00 O ATOM 366 CG2 THR A 24 -10.160 2.470 11.224 1.00 0.00 C ATOM 0 H THR A 24 -8.956 1.268 8.251 1.00 0.00 H new ATOM 0 HA THR A 24 -8.302 3.784 9.717 1.00 0.00 H new ATOM 0 HB THR A 24 -8.076 2.229 11.690 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.109 0.116 11.445 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.504 1.950 12.118 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.141 3.543 11.413 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.838 2.259 10.397 1.00 0.00 H new ATOM 374 N PRO A 25 -5.739 3.223 9.875 1.00 0.00 N ATOM 375 CA PRO A 25 -4.282 3.041 9.615 1.00 0.00 C ATOM 376 C PRO A 25 -3.732 1.704 10.173 1.00 0.00 C ATOM 377 O PRO A 25 -2.865 1.073 9.562 1.00 0.00 O ATOM 378 CB PRO A 25 -3.631 4.274 10.312 1.00 0.00 C ATOM 379 CG PRO A 25 -4.624 4.679 11.357 1.00 0.00 C ATOM 380 CD PRO A 25 -5.984 4.404 10.753 1.00 0.00 C ATOM 0 HA PRO A 25 -4.060 2.986 8.549 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.669 4.017 10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.449 5.081 9.603 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.481 4.110 12.276 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.515 5.733 11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.728 4.187 11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.352 5.258 10.184 1.00 0.00 H new ATOM 388 N GLU A 26 -4.306 1.267 11.307 1.00 0.00 N ATOM 389 CA GLU A 26 -3.851 0.077 12.056 1.00 0.00 C ATOM 390 C GLU A 26 -4.381 -1.238 11.427 1.00 0.00 C ATOM 391 O GLU A 26 -3.990 -2.333 11.847 1.00 0.00 O ATOM 392 CB GLU A 26 -4.301 0.191 13.536 1.00 0.00 C ATOM 393 CG GLU A 26 -3.779 1.448 14.263 1.00 0.00 C ATOM 394 CD GLU A 26 -4.217 1.523 15.739 1.00 0.00 C ATOM 395 OE1 GLU A 26 -3.548 0.907 16.599 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.228 2.197 16.048 1.00 0.00 O ATOM 0 H GLU A 26 -5.106 1.732 11.736 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.763 0.041 12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.390 0.190 13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.963 -0.693 14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.690 1.463 14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.134 2.336 13.740 1.00 0.00 H new ATOM 403 N SER A 27 -5.261 -1.098 10.416 1.00 0.00 N ATOM 404 CA SER A 27 -5.846 -2.220 9.664 1.00 0.00 C ATOM 405 C SER A 27 -4.816 -2.816 8.691 1.00 0.00 C ATOM 406 O SER A 27 -3.966 -2.098 8.171 1.00 0.00 O ATOM 407 CB SER A 27 -7.082 -1.723 8.884 1.00 0.00 C ATOM 408 OG SER A 27 -7.595 -2.716 8.019 1.00 0.00 O ATOM 0 H SER A 27 -5.589 -0.187 10.096 1.00 0.00 H new ATOM 0 HA SER A 27 -6.144 -2.999 10.366 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.857 -1.419 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.814 -0.840 8.304 1.00 0.00 H new ATOM 0 HG SER A 27 -8.302 -3.216 8.478 1.00 0.00 H new ATOM 414 N HIS A 28 -4.899 -4.138 8.472 1.00 0.00 N ATOM 415 CA HIS A 28 -4.095 -4.878 7.479 1.00 0.00 C ATOM 416 C HIS A 28 -4.981 -5.176 6.259 1.00 0.00 C ATOM 417 O HIS A 28 -6.128 -5.597 6.432 1.00 0.00 O ATOM 418 CB HIS A 28 -3.584 -6.195 8.115 1.00 0.00 C ATOM 419 CG HIS A 28 -2.577 -6.986 7.297 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.940 -7.689 6.181 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.266 -7.217 7.538 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.860 -8.335 5.792 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.819 -8.080 6.582 1.00 0.00 N ATOM 0 H HIS A 28 -5.541 -4.738 8.991 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.234 -4.288 7.164 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.133 -5.958 9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.443 -6.836 8.314 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.680 -6.795 8.341 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.823 -8.992 4.936 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.125 -8.456 6.490 1.00 0.00 H new ATOM 431 N ALA A 29 -4.452 -4.941 5.041 1.00 0.00 N ATOM 432 CA ALA A 29 -5.167 -5.204 3.776 1.00 0.00 C ATOM 433 C ALA A 29 -5.724 -6.643 3.709 1.00 0.00 C ATOM 434 O ALA A 29 -6.932 -6.827 3.612 1.00 0.00 O ATOM 435 CB ALA A 29 -4.248 -4.925 2.573 1.00 0.00 C ATOM 0 H ALA A 29 -3.514 -4.562 4.907 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.020 -4.526 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.789 -5.123 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.931 -3.882 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.372 -5.571 2.627 1.00 0.00 H new ATOM 441 N ILE A 30 -4.843 -7.652 3.820 1.00 0.00 N ATOM 442 CA ILE A 30 -5.241 -9.073 3.695 1.00 0.00 C ATOM 443 C ILE A 30 -6.026 -9.529 4.942 1.00 0.00 C ATOM 444 O ILE A 30 -7.178 -9.953 4.839 1.00 0.00 O ATOM 445 CB ILE A 30 -3.991 -10.016 3.484 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.165 -9.573 2.228 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.414 -11.508 3.376 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.905 -10.387 1.972 1.00 0.00 C ATOM 0 H ILE A 30 -3.848 -7.514 3.996 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.880 -9.151 2.815 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.352 -9.920 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.806 -9.636 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.886 -8.526 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.529 -12.128 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.922 -11.809 4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.088 -11.635 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.401 -10.007 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.238 -10.305 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.172 -11.433 1.819 1.00 0.00 H new ATOM 460 N ASP A 31 -5.391 -9.387 6.109 1.00 0.00 N ATOM 461 CA ASP A 31 -5.871 -9.948 7.390 1.00 0.00 C ATOM 462 C ASP A 31 -7.205 -9.333 7.849 1.00 0.00 C ATOM 463 O ASP A 31 -8.130 -10.062 8.236 1.00 0.00 O ATOM 464 CB ASP A 31 -4.782 -9.752 8.478 1.00 0.00 C ATOM 465 CG ASP A 31 -5.211 -10.205 9.889 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.283 -11.428 10.129 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.471 -9.343 10.761 1.00 0.00 O ATOM 0 H ASP A 31 -4.515 -8.872 6.199 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.058 -11.010 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.889 -10.305 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.506 -8.698 8.515 1.00 0.00 H new ATOM 472 N ASP A 32 -7.300 -8.001 7.804 1.00 0.00 N ATOM 473 CA ASP A 32 -8.458 -7.269 8.350 1.00 0.00 C ATOM 474 C ASP A 32 -9.485 -6.938 7.244 1.00 0.00 C ATOM 475 O ASP A 32 -10.650 -7.348 7.330 1.00 0.00 O ATOM 476 CB ASP A 32 -7.988 -5.983 9.078 1.00 0.00 C ATOM 477 CG ASP A 32 -9.129 -5.292 9.842 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.461 -5.738 10.956 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.718 -4.322 9.323 1.00 0.00 O ATOM 0 H ASP A 32 -6.586 -7.400 7.393 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.956 -7.912 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.188 -6.235 9.774 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.569 -5.289 8.349 1.00 0.00 H new ATOM 484 N LEU A 33 -9.040 -6.205 6.201 1.00 0.00 N ATOM 485 CA LEU A 33 -9.926 -5.733 5.109 1.00 0.00 C ATOM 486 C LEU A 33 -10.364 -6.889 4.186 1.00 0.00 C ATOM 487 O LEU A 33 -11.440 -6.832 3.585 1.00 0.00 O ATOM 488 CB LEU A 33 -9.237 -4.611 4.288 1.00 0.00 C ATOM 489 CG LEU A 33 -8.868 -3.310 5.073 1.00 0.00 C ATOM 490 CD1 LEU A 33 -8.179 -2.282 4.147 1.00 0.00 C ATOM 491 CD2 LEU A 33 -10.109 -2.692 5.777 1.00 0.00 C ATOM 0 H LEU A 33 -8.066 -5.924 6.090 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.824 -5.325 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.325 -5.017 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.894 -4.338 3.462 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.160 -3.588 5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.933 -1.386 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.266 -2.715 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.852 -2.019 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.812 -1.790 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.863 -2.440 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.523 -3.412 6.482 1.00 0.00 H new ATOM 503 N GLY A 34 -9.525 -7.937 4.093 1.00 0.00 N ATOM 504 CA GLY A 34 -9.834 -9.126 3.279 1.00 0.00 C ATOM 505 C GLY A 34 -9.407 -8.988 1.824 1.00 0.00 C ATOM 506 O GLY A 34 -9.877 -9.742 0.967 1.00 0.00 O ATOM 0 H GLY A 34 -8.626 -7.984 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.340 -9.994 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.906 -9.316 3.319 1.00 0.00 H new ATOM 510 N ILE A 35 -8.541 -7.998 1.544 1.00 0.00 N ATOM 511 CA ILE A 35 -7.986 -7.760 0.199 1.00 0.00 C ATOM 512 C ILE A 35 -6.997 -8.873 -0.148 1.00 0.00 C ATOM 513 O ILE A 35 -6.030 -9.094 0.582 1.00 0.00 O ATOM 514 CB ILE A 35 -7.256 -6.366 0.110 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.203 -5.216 0.575 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.708 -6.097 -1.324 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.543 -3.850 0.662 1.00 0.00 C ATOM 0 H ILE A 35 -8.205 -7.338 2.246 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.814 -7.754 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.400 -6.396 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.045 -5.155 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.610 -5.471 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.211 -5.127 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.995 -6.877 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.534 -6.099 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.275 -3.113 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.719 -3.889 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.161 -3.567 -0.319 1.00 0.00 H new ATOM 529 N ASP A 36 -7.234 -9.556 -1.271 1.00 0.00 N ATOM 530 CA ASP A 36 -6.339 -10.611 -1.757 1.00 0.00 C ATOM 531 C ASP A 36 -5.115 -9.949 -2.399 1.00 0.00 C ATOM 532 O ASP A 36 -5.240 -8.859 -2.968 1.00 0.00 O ATOM 533 CB ASP A 36 -7.077 -11.507 -2.787 1.00 0.00 C ATOM 534 CG ASP A 36 -8.341 -12.164 -2.202 1.00 0.00 C ATOM 535 OD1 ASP A 36 -9.418 -11.523 -2.220 1.00 0.00 O ATOM 536 OD2 ASP A 36 -8.268 -13.309 -1.704 1.00 0.00 O ATOM 0 H ASP A 36 -8.046 -9.395 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.022 -11.244 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.352 -10.907 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.398 -12.284 -3.140 1.00 0.00 H new ATOM 541 N SER A 37 -3.939 -10.604 -2.312 1.00 0.00 N ATOM 542 CA SER A 37 -2.692 -10.140 -2.958 1.00 0.00 C ATOM 543 C SER A 37 -2.859 -10.003 -4.503 1.00 0.00 C ATOM 544 O SER A 37 -2.056 -9.333 -5.162 1.00 0.00 O ATOM 545 CB SER A 37 -1.532 -11.101 -2.600 1.00 0.00 C ATOM 546 OG SER A 37 -0.295 -10.649 -3.120 1.00 0.00 O ATOM 0 H SER A 37 -3.826 -11.473 -1.790 1.00 0.00 H new ATOM 0 HA SER A 37 -2.456 -9.146 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.458 -11.194 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.749 -12.095 -2.991 1.00 0.00 H new ATOM 0 HG SER A 37 0.414 -11.279 -2.873 1.00 0.00 H new ATOM 552 N LEU A 38 -3.926 -10.624 -5.057 1.00 0.00 N ATOM 553 CA LEU A 38 -4.326 -10.488 -6.466 1.00 0.00 C ATOM 554 C LEU A 38 -4.926 -9.088 -6.717 1.00 0.00 C ATOM 555 O LEU A 38 -4.495 -8.370 -7.621 1.00 0.00 O ATOM 556 CB LEU A 38 -5.363 -11.588 -6.836 1.00 0.00 C ATOM 557 CG LEU A 38 -4.930 -13.060 -6.565 1.00 0.00 C ATOM 558 CD1 LEU A 38 -6.066 -14.052 -6.908 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.621 -13.404 -7.310 1.00 0.00 C ATOM 0 H LEU A 38 -4.539 -11.242 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.444 -10.609 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.281 -11.393 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.603 -11.491 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.729 -13.158 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.733 -15.070 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.940 -13.830 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.327 -13.956 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.344 -14.437 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.769 -13.277 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.825 -12.740 -6.972 1.00 0.00 H new ATOM 571 N ASP A 39 -5.912 -8.710 -5.885 1.00 0.00 N ATOM 572 CA ASP A 39 -6.617 -7.410 -5.994 1.00 0.00 C ATOM 573 C ASP A 39 -5.698 -6.242 -5.573 1.00 0.00 C ATOM 574 O ASP A 39 -5.838 -5.109 -6.058 1.00 0.00 O ATOM 575 CB ASP A 39 -7.913 -7.432 -5.136 1.00 0.00 C ATOM 576 CG ASP A 39 -8.793 -6.175 -5.306 1.00 0.00 C ATOM 577 OD1 ASP A 39 -8.985 -5.729 -6.459 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.333 -5.659 -4.303 1.00 0.00 O ATOM 0 H ASP A 39 -6.246 -9.292 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.892 -7.254 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.498 -8.313 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.641 -7.534 -4.086 1.00 0.00 H new ATOM 583 N PHE A 40 -4.733 -6.551 -4.696 1.00 0.00 N ATOM 584 CA PHE A 40 -3.745 -5.584 -4.194 1.00 0.00 C ATOM 585 C PHE A 40 -2.801 -5.111 -5.330 1.00 0.00 C ATOM 586 O PHE A 40 -2.188 -4.044 -5.226 1.00 0.00 O ATOM 587 CB PHE A 40 -2.960 -6.201 -3.012 1.00 0.00 C ATOM 588 CG PHE A 40 -2.237 -5.175 -2.122 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.884 -4.583 -1.034 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.919 -4.800 -2.380 1.00 0.00 C ATOM 591 CE1 PHE A 40 -2.229 -3.652 -0.242 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.268 -3.872 -1.587 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.924 -3.301 -0.519 1.00 0.00 C ATOM 0 H PHE A 40 -4.615 -7.488 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.268 -4.700 -3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.650 -6.776 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.225 -6.902 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.905 -4.853 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.396 -5.243 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.742 -3.200 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.753 -3.596 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.416 -2.578 0.102 1.00 0.00 H new ATOM 603 N LEU A 41 -2.683 -5.923 -6.409 1.00 0.00 N ATOM 604 CA LEU A 41 -1.911 -5.556 -7.622 1.00 0.00 C ATOM 605 C LEU A 41 -2.455 -4.250 -8.257 1.00 0.00 C ATOM 606 O LEU A 41 -1.682 -3.402 -8.721 1.00 0.00 O ATOM 607 CB LEU A 41 -1.952 -6.719 -8.652 1.00 0.00 C ATOM 608 CG LEU A 41 -1.236 -8.052 -8.232 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.546 -9.199 -9.221 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.290 -7.851 -8.098 1.00 0.00 C ATOM 0 H LEU A 41 -3.117 -6.844 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.876 -5.379 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.996 -6.946 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.502 -6.368 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.630 -8.334 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.034 -10.106 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.621 -9.378 -9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.202 -8.923 -10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.757 -8.792 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.699 -7.524 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.492 -7.095 -7.339 1.00 0.00 H new ATOM 622 N ASP A 42 -3.796 -4.098 -8.245 1.00 0.00 N ATOM 623 CA ASP A 42 -4.483 -2.920 -8.816 1.00 0.00 C ATOM 624 C ASP A 42 -4.395 -1.706 -7.866 1.00 0.00 C ATOM 625 O ASP A 42 -4.394 -0.554 -8.322 1.00 0.00 O ATOM 626 CB ASP A 42 -5.958 -3.258 -9.142 1.00 0.00 C ATOM 627 CG ASP A 42 -6.659 -2.164 -9.974 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.355 -2.039 -11.178 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.522 -1.433 -9.451 1.00 0.00 O ATOM 0 H ASP A 42 -4.431 -4.786 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.977 -2.652 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.997 -4.201 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.505 -3.405 -8.211 1.00 0.00 H new ATOM 634 N ILE A 43 -4.299 -1.976 -6.540 1.00 0.00 N ATOM 635 CA ILE A 43 -4.034 -0.928 -5.523 1.00 0.00 C ATOM 636 C ILE A 43 -2.651 -0.306 -5.788 1.00 0.00 C ATOM 637 O ILE A 43 -2.515 0.912 -5.886 1.00 0.00 O ATOM 638 CB ILE A 43 -4.071 -1.508 -4.055 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.483 -2.063 -3.712 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.613 -0.458 -3.004 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.615 -2.601 -2.299 1.00 0.00 C ATOM 0 H ILE A 43 -4.401 -2.913 -6.150 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.818 -0.175 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.361 -2.334 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.217 -1.271 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.729 -2.858 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.654 -0.899 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.591 -0.147 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.273 0.409 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.629 -2.968 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.907 -3.417 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.403 -1.805 -1.585 1.00 0.00 H new ATOM 653 N ALA A 44 -1.664 -1.199 -5.964 1.00 0.00 N ATOM 654 CA ALA A 44 -0.253 -0.821 -6.179 1.00 0.00 C ATOM 655 C ALA A 44 -0.075 -0.075 -7.517 1.00 0.00 C ATOM 656 O ALA A 44 0.764 0.824 -7.623 1.00 0.00 O ATOM 657 CB ALA A 44 0.634 -2.069 -6.126 1.00 0.00 C ATOM 0 H ALA A 44 -1.820 -2.207 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 44 0.050 -0.141 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.674 -1.783 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.534 -2.545 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.326 -2.767 -6.904 1.00 0.00 H new ATOM 663 N PHE A 45 -0.904 -0.452 -8.512 1.00 0.00 N ATOM 664 CA PHE A 45 -0.926 0.204 -9.834 1.00 0.00 C ATOM 665 C PHE A 45 -1.475 1.639 -9.716 1.00 0.00 C ATOM 666 O PHE A 45 -0.940 2.577 -10.315 1.00 0.00 O ATOM 667 CB PHE A 45 -1.758 -0.631 -10.840 1.00 0.00 C ATOM 668 CG PHE A 45 -1.650 -0.149 -12.289 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.510 -0.428 -13.045 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.676 0.579 -12.894 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.401 0.008 -14.353 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.563 1.015 -14.201 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.427 0.727 -14.931 1.00 0.00 C ATOM 0 H PHE A 45 -1.574 -1.216 -8.422 1.00 0.00 H new ATOM 0 HA PHE A 45 0.095 0.265 -10.210 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.434 -1.671 -10.789 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.805 -0.608 -10.537 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.298 -0.992 -12.602 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.571 0.805 -12.333 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.489 -0.215 -14.923 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.364 1.582 -14.652 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.342 1.064 -15.953 1.00 0.00 H new ATOM 683 N ALA A 46 -2.551 1.785 -8.932 1.00 0.00 N ATOM 684 CA ALA A 46 -3.188 3.088 -8.650 1.00 0.00 C ATOM 685 C ALA A 46 -2.261 4.012 -7.823 1.00 0.00 C ATOM 686 O ALA A 46 -2.306 5.232 -7.971 1.00 0.00 O ATOM 687 CB ALA A 46 -4.517 2.861 -7.922 1.00 0.00 C ATOM 0 H ALA A 46 -3.011 1.000 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.376 3.590 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.987 3.822 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.178 2.262 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.333 2.337 -6.984 1.00 0.00 H new ATOM 693 N ILE A 47 -1.436 3.399 -6.957 1.00 0.00 N ATOM 694 CA ILE A 47 -0.424 4.108 -6.142 1.00 0.00 C ATOM 695 C ILE A 47 0.692 4.686 -7.042 1.00 0.00 C ATOM 696 O ILE A 47 1.158 5.816 -6.818 1.00 0.00 O ATOM 697 CB ILE A 47 0.180 3.143 -5.046 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.897 2.806 -3.966 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.461 3.724 -4.386 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.537 1.672 -3.024 1.00 0.00 C ATOM 0 H ILE A 47 -1.450 2.391 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.912 4.939 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 47 0.476 2.224 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.087 3.701 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.829 2.554 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.836 3.023 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.223 3.885 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.224 4.673 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.349 1.517 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.378 0.759 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.375 1.924 -2.483 1.00 0.00 H new ATOM 712 N ASP A 48 1.102 3.893 -8.062 1.00 0.00 N ATOM 713 CA ASP A 48 2.073 4.331 -9.094 1.00 0.00 C ATOM 714 C ASP A 48 1.601 5.635 -9.754 1.00 0.00 C ATOM 715 O ASP A 48 2.365 6.595 -9.883 1.00 0.00 O ATOM 716 CB ASP A 48 2.261 3.250 -10.210 1.00 0.00 C ATOM 717 CG ASP A 48 2.853 1.908 -9.739 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.789 1.911 -8.922 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.429 0.844 -10.253 1.00 0.00 O ATOM 0 H ASP A 48 0.771 2.937 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 48 3.026 4.486 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.293 3.058 -10.672 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.908 3.661 -10.985 1.00 0.00 H new ATOM 724 N LYS A 49 0.311 5.652 -10.121 1.00 0.00 N ATOM 725 CA LYS A 49 -0.326 6.767 -10.839 1.00 0.00 C ATOM 726 C LYS A 49 -0.461 8.009 -9.930 1.00 0.00 C ATOM 727 O LYS A 49 -0.028 9.107 -10.300 1.00 0.00 O ATOM 728 CB LYS A 49 -1.721 6.298 -11.347 1.00 0.00 C ATOM 729 CG LYS A 49 -1.678 5.053 -12.265 1.00 0.00 C ATOM 730 CD LYS A 49 -3.075 4.445 -12.572 1.00 0.00 C ATOM 731 CE LYS A 49 -3.934 5.270 -13.564 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.399 6.571 -13.014 1.00 0.00 N ATOM 0 H LYS A 49 -0.328 4.882 -9.925 1.00 0.00 H new ATOM 0 HA LYS A 49 0.296 7.055 -11.686 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.353 6.079 -10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.192 7.118 -11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.197 5.324 -13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.056 4.290 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.939 3.442 -12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.624 4.340 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.353 5.455 -14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.801 4.679 -13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.374 6.752 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.370 6.539 -11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.779 7.333 -13.355 1.00 0.00 H new ATOM 746 N ALA A 50 -1.030 7.800 -8.727 1.00 0.00 N ATOM 747 CA ALA A 50 -1.372 8.880 -7.769 1.00 0.00 C ATOM 748 C ALA A 50 -0.125 9.621 -7.251 1.00 0.00 C ATOM 749 O ALA A 50 -0.016 10.844 -7.376 1.00 0.00 O ATOM 750 CB ALA A 50 -2.162 8.307 -6.582 1.00 0.00 C ATOM 0 H ALA A 50 -1.269 6.869 -8.386 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.985 9.602 -8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.407 9.110 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.082 7.848 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.559 7.556 -6.072 1.00 0.00 H new ATOM 756 N PHE A 51 0.811 8.852 -6.679 1.00 0.00 N ATOM 757 CA PHE A 51 2.032 9.383 -6.043 1.00 0.00 C ATOM 758 C PHE A 51 3.116 9.727 -7.081 1.00 0.00 C ATOM 759 O PHE A 51 4.024 10.521 -6.792 1.00 0.00 O ATOM 760 CB PHE A 51 2.580 8.362 -5.011 1.00 0.00 C ATOM 761 CG PHE A 51 1.634 8.093 -3.831 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.581 7.184 -3.941 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.800 8.750 -2.610 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.266 6.938 -2.878 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.951 8.504 -1.550 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.077 7.597 -1.687 1.00 0.00 C ATOM 0 H PHE A 51 0.745 7.835 -6.642 1.00 0.00 H new ATOM 0 HA PHE A 51 1.765 10.307 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.784 7.420 -5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.531 8.728 -4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.425 6.663 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.605 9.461 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.075 6.230 -2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.092 9.022 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.737 7.403 -0.855 1.00 0.00 H new ATOM 776 N GLY A 52 3.004 9.132 -8.288 1.00 0.00 N ATOM 777 CA GLY A 52 3.985 9.335 -9.360 1.00 0.00 C ATOM 778 C GLY A 52 5.277 8.587 -9.090 1.00 0.00 C ATOM 779 O GLY A 52 6.372 9.108 -9.320 1.00 0.00 O ATOM 0 H GLY A 52 2.239 8.506 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.563 9.001 -10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.196 10.399 -9.463 1.00 0.00 H new ATOM 783 N ILE A 53 5.134 7.350 -8.586 1.00 0.00 N ATOM 784 CA ILE A 53 6.270 6.505 -8.173 1.00 0.00 C ATOM 785 C ILE A 53 6.227 5.143 -8.873 1.00 0.00 C ATOM 786 O ILE A 53 5.298 4.838 -9.621 1.00 0.00 O ATOM 787 CB ILE A 53 6.288 6.284 -6.608 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.962 5.595 -6.125 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.551 7.617 -5.859 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.906 5.284 -4.640 1.00 0.00 C ATOM 0 H ILE A 53 4.226 6.906 -8.453 1.00 0.00 H new ATOM 0 HA ILE A 53 7.179 7.031 -8.465 1.00 0.00 H new ATOM 0 HB ILE A 53 7.112 5.612 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.121 6.241 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.829 4.667 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.558 7.435 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.516 8.022 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.764 8.332 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.953 4.810 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.722 4.610 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.003 6.208 -4.071 1.00 0.00 H new ATOM 802 N LYS A 54 7.267 4.340 -8.629 1.00 0.00 N ATOM 803 CA LYS A 54 7.298 2.927 -8.985 1.00 0.00 C ATOM 804 C LYS A 54 7.359 2.104 -7.694 1.00 0.00 C ATOM 805 O LYS A 54 8.431 1.913 -7.104 1.00 0.00 O ATOM 806 CB LYS A 54 8.479 2.621 -9.950 1.00 0.00 C ATOM 807 CG LYS A 54 8.648 1.116 -10.303 1.00 0.00 C ATOM 808 CD LYS A 54 9.445 0.890 -11.612 1.00 0.00 C ATOM 809 CE LYS A 54 8.642 1.294 -12.867 1.00 0.00 C ATOM 810 NZ LYS A 54 7.383 0.506 -13.005 1.00 0.00 N ATOM 0 H LYS A 54 8.120 4.662 -8.172 1.00 0.00 H new ATOM 0 HA LYS A 54 6.393 2.653 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.334 3.184 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.403 2.982 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.156 0.610 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.664 0.658 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.370 1.466 -11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.726 -0.161 -11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.401 2.356 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.259 1.149 -13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.016 0.605 -13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.578 -0.497 -12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.676 0.860 -12.329 1.00 0.00 H new ATOM 824 N LEU A 55 6.168 1.717 -7.215 1.00 0.00 N ATOM 825 CA LEU A 55 6.000 0.753 -6.133 1.00 0.00 C ATOM 826 C LEU A 55 6.298 -0.649 -6.705 1.00 0.00 C ATOM 827 O LEU A 55 5.560 -1.109 -7.585 1.00 0.00 O ATOM 828 CB LEU A 55 4.548 0.861 -5.539 1.00 0.00 C ATOM 829 CG LEU A 55 4.244 0.047 -4.217 1.00 0.00 C ATOM 830 CD1 LEU A 55 3.019 0.614 -3.476 1.00 0.00 C ATOM 831 CD2 LEU A 55 4.031 -1.466 -4.468 1.00 0.00 C ATOM 0 H LEU A 55 5.284 2.074 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 55 6.688 0.953 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.341 1.913 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.845 0.535 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 55 5.133 0.160 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.838 0.031 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.206 1.653 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.144 0.559 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.827 -1.967 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.187 -1.608 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.929 -1.890 -4.916 1.00 0.00 H new ATOM 843 N PRO A 56 7.386 -1.342 -6.249 1.00 0.00 N ATOM 844 CA PRO A 56 7.699 -2.697 -6.712 1.00 0.00 C ATOM 845 C PRO A 56 7.005 -3.761 -5.840 1.00 0.00 C ATOM 846 O PRO A 56 7.594 -4.300 -4.903 1.00 0.00 O ATOM 847 CB PRO A 56 9.246 -2.717 -6.609 1.00 0.00 C ATOM 848 CG PRO A 56 9.560 -1.843 -5.418 1.00 0.00 C ATOM 849 CD PRO A 56 8.397 -0.864 -5.268 1.00 0.00 C ATOM 0 HA PRO A 56 7.346 -2.931 -7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.621 -3.731 -6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.709 -2.331 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.677 -2.445 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.498 -1.308 -5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.000 -0.870 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.707 0.159 -5.483 1.00 0.00 H new ATOM 857 N LEU A 57 5.732 -4.051 -6.160 1.00 0.00 N ATOM 858 CA LEU A 57 4.933 -5.045 -5.417 1.00 0.00 C ATOM 859 C LEU A 57 5.408 -6.465 -5.749 1.00 0.00 C ATOM 860 O LEU A 57 5.299 -7.367 -4.925 1.00 0.00 O ATOM 861 CB LEU A 57 3.419 -4.892 -5.705 1.00 0.00 C ATOM 862 CG LEU A 57 2.477 -5.807 -4.850 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.675 -5.571 -3.326 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.012 -5.603 -5.256 1.00 0.00 C ATOM 0 H LEU A 57 5.231 -3.610 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 57 5.082 -4.864 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.138 -3.852 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.244 -5.104 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 57 2.747 -6.843 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.005 -6.223 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.707 -5.793 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.452 -4.531 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.374 -6.247 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.732 -4.562 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.888 -5.855 -6.309 1.00 0.00 H new ATOM 876 N GLU A 58 5.952 -6.640 -6.962 1.00 0.00 N ATOM 877 CA GLU A 58 6.592 -7.897 -7.391 1.00 0.00 C ATOM 878 C GLU A 58 7.809 -8.227 -6.493 1.00 0.00 C ATOM 879 O GLU A 58 8.095 -9.395 -6.227 1.00 0.00 O ATOM 880 CB GLU A 58 7.012 -7.795 -8.877 1.00 0.00 C ATOM 881 CG GLU A 58 7.993 -6.641 -9.191 1.00 0.00 C ATOM 882 CD GLU A 58 8.355 -6.539 -10.678 1.00 0.00 C ATOM 883 OE1 GLU A 58 9.188 -7.348 -11.153 1.00 0.00 O ATOM 884 OE2 GLU A 58 7.807 -5.667 -11.386 1.00 0.00 O ATOM 0 H GLU A 58 5.962 -5.913 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 58 5.873 -8.710 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.472 -8.737 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.117 -7.669 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.551 -5.699 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.905 -6.781 -8.611 1.00 0.00 H new ATOM 891 N LYS A 59 8.503 -7.174 -6.025 1.00 0.00 N ATOM 892 CA LYS A 59 9.607 -7.272 -5.058 1.00 0.00 C ATOM 893 C LYS A 59 9.058 -7.588 -3.650 1.00 0.00 C ATOM 894 O LYS A 59 9.511 -8.527 -3.006 1.00 0.00 O ATOM 895 CB LYS A 59 10.403 -5.932 -5.046 1.00 0.00 C ATOM 896 CG LYS A 59 11.399 -5.763 -3.880 1.00 0.00 C ATOM 897 CD LYS A 59 12.008 -4.348 -3.811 1.00 0.00 C ATOM 898 CE LYS A 59 12.830 -4.123 -2.531 1.00 0.00 C ATOM 899 NZ LYS A 59 13.883 -5.158 -2.344 1.00 0.00 N ATOM 0 H LYS A 59 8.308 -6.216 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 59 10.275 -8.082 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.951 -5.846 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.691 -5.107 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.891 -5.981 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.201 -6.494 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.645 -4.187 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.208 -3.609 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.295 -3.138 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.163 -4.127 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.775 -4.700 -2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.590 -5.821 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.021 -5.677 -3.234 1.00 0.00 H new ATOM 913 N TRP A 60 8.057 -6.797 -3.208 1.00 0.00 N ATOM 914 CA TRP A 60 7.524 -6.841 -1.823 1.00 0.00 C ATOM 915 C TRP A 60 6.890 -8.201 -1.498 1.00 0.00 C ATOM 916 O TRP A 60 7.161 -8.785 -0.441 1.00 0.00 O ATOM 917 CB TRP A 60 6.512 -5.679 -1.595 1.00 0.00 C ATOM 918 CG TRP A 60 7.134 -4.297 -1.640 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.437 -3.972 -1.928 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.481 -3.057 -1.368 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.609 -2.624 -1.876 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.431 -2.036 -1.529 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.182 -2.707 -1.005 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.132 -0.698 -1.349 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.882 -1.372 -0.827 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.857 -0.383 -0.996 1.00 0.00 C ATOM 0 H TRP A 60 7.593 -6.108 -3.800 1.00 0.00 H new ATOM 0 HA TRP A 60 8.362 -6.710 -1.138 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.731 -5.739 -2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.029 -5.817 -0.628 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.214 -4.685 -2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.482 -2.132 -2.067 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.426 -3.465 -0.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.882 0.067 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.877 -1.086 -0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.591 0.653 -0.843 1.00 0.00 H new ATOM 937 N THR A 61 6.069 -8.702 -2.431 1.00 0.00 N ATOM 938 CA THR A 61 5.459 -10.035 -2.355 1.00 0.00 C ATOM 939 C THR A 61 6.545 -11.142 -2.343 1.00 0.00 C ATOM 940 O THR A 61 6.436 -12.104 -1.585 1.00 0.00 O ATOM 941 CB THR A 61 4.456 -10.251 -3.539 1.00 0.00 C ATOM 942 OG1 THR A 61 3.502 -9.168 -3.565 1.00 0.00 O ATOM 943 CG2 THR A 61 3.687 -11.582 -3.426 1.00 0.00 C ATOM 0 H THR A 61 5.807 -8.185 -3.271 1.00 0.00 H new ATOM 0 HA THR A 61 4.903 -10.101 -1.420 1.00 0.00 H new ATOM 0 HB THR A 61 5.044 -10.279 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.903 -8.389 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.006 -11.682 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.394 -12.412 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.117 -11.595 -2.497 1.00 0.00 H new ATOM 951 N GLN A 62 7.633 -10.952 -3.131 1.00 0.00 N ATOM 952 CA GLN A 62 8.770 -11.890 -3.208 1.00 0.00 C ATOM 953 C GLN A 62 9.492 -11.981 -1.853 1.00 0.00 C ATOM 954 O GLN A 62 9.788 -13.077 -1.379 1.00 0.00 O ATOM 955 CB GLN A 62 9.760 -11.452 -4.332 1.00 0.00 C ATOM 956 CG GLN A 62 11.049 -12.294 -4.474 1.00 0.00 C ATOM 957 CD GLN A 62 10.791 -13.782 -4.734 1.00 0.00 C ATOM 958 OE1 GLN A 62 10.630 -14.206 -5.876 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.780 -14.585 -3.677 1.00 0.00 N ATOM 0 H GLN A 62 7.742 -10.136 -3.733 1.00 0.00 H new ATOM 0 HA GLN A 62 8.385 -12.880 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.229 -11.475 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.046 -10.416 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.647 -11.890 -5.291 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.641 -12.191 -3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.917 -14.200 -2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.635 -15.587 -3.799 1.00 0.00 H new ATOM 968 N GLU A 63 9.707 -10.821 -1.214 1.00 0.00 N ATOM 969 CA GLU A 63 10.390 -10.722 0.091 1.00 0.00 C ATOM 970 C GLU A 63 9.567 -11.418 1.194 1.00 0.00 C ATOM 971 O GLU A 63 10.137 -12.010 2.115 1.00 0.00 O ATOM 972 CB GLU A 63 10.656 -9.230 0.434 1.00 0.00 C ATOM 973 CG GLU A 63 11.600 -8.525 -0.559 1.00 0.00 C ATOM 974 CD GLU A 63 11.683 -7.006 -0.341 1.00 0.00 C ATOM 975 OE1 GLU A 63 10.691 -6.316 -0.639 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.736 -6.493 0.102 1.00 0.00 O ATOM 0 H GLU A 63 9.412 -9.919 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 63 11.349 -11.236 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.706 -8.697 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.083 -9.167 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.598 -8.954 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.260 -8.722 -1.576 1.00 0.00 H new ATOM 983 N VAL A 64 8.226 -11.377 1.057 1.00 0.00 N ATOM 984 CA VAL A 64 7.298 -12.091 1.952 1.00 0.00 C ATOM 985 C VAL A 64 7.408 -13.622 1.766 1.00 0.00 C ATOM 986 O VAL A 64 7.594 -14.361 2.747 1.00 0.00 O ATOM 987 CB VAL A 64 5.806 -11.620 1.719 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.781 -12.526 2.455 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.630 -10.137 2.138 1.00 0.00 C ATOM 0 H VAL A 64 7.758 -10.847 0.322 1.00 0.00 H new ATOM 0 HA VAL A 64 7.582 -11.848 2.976 1.00 0.00 H new ATOM 0 HB VAL A 64 5.603 -11.710 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.771 -12.162 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.873 -13.549 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.979 -12.503 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.597 -9.832 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.874 -10.026 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.295 -9.510 1.544 1.00 0.00 H new ATOM 999 N ASN A 65 7.304 -14.075 0.502 1.00 0.00 N ATOM 1000 CA ASN A 65 7.340 -15.517 0.141 1.00 0.00 C ATOM 1001 C ASN A 65 8.725 -16.148 0.380 1.00 0.00 C ATOM 1002 O ASN A 65 8.825 -17.374 0.526 1.00 0.00 O ATOM 1003 CB ASN A 65 6.888 -15.758 -1.334 1.00 0.00 C ATOM 1004 CG ASN A 65 5.374 -15.609 -1.533 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.615 -16.546 -1.301 1.00 0.00 O ATOM 1006 ND2 ASN A 65 4.928 -14.456 -1.992 1.00 0.00 N ATOM 0 H ASN A 65 7.193 -13.457 -0.302 1.00 0.00 H new ATOM 0 HA ASN A 65 6.629 -16.010 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.405 -15.053 -1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.192 -16.759 -1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.931 -14.326 -2.163 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.580 -13.694 -2.176 1.00 0.00 H new ATOM 1013 N ASP A 66 9.787 -15.323 0.421 1.00 0.00 N ATOM 1014 CA ASP A 66 11.181 -15.751 0.675 1.00 0.00 C ATOM 1015 C ASP A 66 11.477 -15.783 2.196 1.00 0.00 C ATOM 1016 O ASP A 66 12.487 -16.352 2.631 1.00 0.00 O ATOM 1017 CB ASP A 66 12.142 -14.778 -0.071 1.00 0.00 C ATOM 1018 CG ASP A 66 13.634 -15.148 0.002 1.00 0.00 C ATOM 1019 OD1 ASP A 66 13.986 -16.318 -0.278 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.468 -14.269 0.294 1.00 0.00 O ATOM 0 H ASP A 66 9.701 -14.317 0.276 1.00 0.00 H new ATOM 0 HA ASP A 66 11.333 -16.763 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.846 -14.733 -1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.012 -13.777 0.341 1.00 0.00 H new ATOM 1025 N GLY A 67 10.565 -15.180 2.993 1.00 0.00 N ATOM 1026 CA GLY A 67 10.657 -15.190 4.458 1.00 0.00 C ATOM 1027 C GLY A 67 11.562 -14.107 5.036 1.00 0.00 C ATOM 1028 O GLY A 67 12.028 -14.238 6.169 1.00 0.00 O ATOM 0 H GLY A 67 9.753 -14.678 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.657 -15.072 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.024 -16.164 4.781 1.00 0.00 H new ATOM 1032 N LYS A 68 11.809 -13.042 4.258 1.00 0.00 N ATOM 1033 CA LYS A 68 12.626 -11.887 4.699 1.00 0.00 C ATOM 1034 C LYS A 68 11.724 -10.839 5.350 1.00 0.00 C ATOM 1035 O LYS A 68 11.937 -10.437 6.497 1.00 0.00 O ATOM 1036 CB LYS A 68 13.389 -11.266 3.500 1.00 0.00 C ATOM 1037 CG LYS A 68 14.378 -12.229 2.822 1.00 0.00 C ATOM 1038 CD LYS A 68 15.546 -12.668 3.748 1.00 0.00 C ATOM 1039 CE LYS A 68 16.411 -13.780 3.128 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.906 -13.428 1.774 1.00 0.00 N ATOM 0 H LYS A 68 11.452 -12.951 3.307 1.00 0.00 H new ATOM 0 HA LYS A 68 13.360 -12.233 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.666 -10.924 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.933 -10.386 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.839 -13.114 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.789 -11.750 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.174 -11.805 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.140 -13.016 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.260 -13.981 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.828 -14.699 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.759 -13.984 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.170 -13.639 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.136 -12.414 1.741 1.00 0.00 H new ATOM 1054 N ALA A 69 10.696 -10.429 4.603 1.00 0.00 N ATOM 1055 CA ALA A 69 9.718 -9.417 5.018 1.00 0.00 C ATOM 1056 C ALA A 69 8.390 -10.073 5.392 1.00 0.00 C ATOM 1057 O ALA A 69 8.090 -11.175 4.940 1.00 0.00 O ATOM 1058 CB ALA A 69 9.510 -8.412 3.883 1.00 0.00 C ATOM 0 H ALA A 69 10.515 -10.800 3.670 1.00 0.00 H new ATOM 0 HA ALA A 69 10.099 -8.896 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.783 -7.660 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.457 -7.926 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.141 -8.932 2.999 1.00 0.00 H new ATOM 1064 N THR A 70 7.604 -9.379 6.217 1.00 0.00 N ATOM 1065 CA THR A 70 6.264 -9.824 6.628 1.00 0.00 C ATOM 1066 C THR A 70 5.191 -9.092 5.800 1.00 0.00 C ATOM 1067 O THR A 70 5.465 -8.023 5.226 1.00 0.00 O ATOM 1068 CB THR A 70 6.050 -9.545 8.152 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.234 -8.142 8.422 1.00 0.00 O ATOM 1070 CG2 THR A 70 7.008 -10.380 9.028 1.00 0.00 C ATOM 0 H THR A 70 7.878 -8.485 6.624 1.00 0.00 H new ATOM 0 HA THR A 70 6.177 -10.896 6.452 1.00 0.00 H new ATOM 0 HB THR A 70 5.031 -9.838 8.405 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.097 -7.972 9.377 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.827 -10.157 10.079 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.835 -11.441 8.847 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.039 -10.133 8.777 1.00 0.00 H new ATOM 1078 N THR A 71 3.971 -9.666 5.729 1.00 0.00 N ATOM 1079 CA THR A 71 2.810 -8.991 5.121 1.00 0.00 C ATOM 1080 C THR A 71 2.384 -7.795 5.990 1.00 0.00 C ATOM 1081 O THR A 71 1.832 -6.827 5.481 1.00 0.00 O ATOM 1082 CB THR A 71 1.590 -9.955 4.916 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.316 -10.661 6.128 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.814 -10.955 3.777 1.00 0.00 C ATOM 0 H THR A 71 3.767 -10.599 6.087 1.00 0.00 H new ATOM 0 HA THR A 71 3.121 -8.647 4.135 1.00 0.00 H new ATOM 0 HB THR A 71 0.737 -9.335 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.552 -11.260 5.992 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.939 -11.597 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.973 -10.414 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.690 -11.566 3.996 1.00 0.00 H new ATOM 1092 N GLU A 72 2.625 -7.899 7.310 1.00 0.00 N ATOM 1093 CA GLU A 72 2.403 -6.791 8.256 1.00 0.00 C ATOM 1094 C GLU A 72 3.234 -5.548 7.860 1.00 0.00 C ATOM 1095 O GLU A 72 2.723 -4.423 7.863 1.00 0.00 O ATOM 1096 CB GLU A 72 2.760 -7.231 9.703 1.00 0.00 C ATOM 1097 CG GLU A 72 2.520 -6.147 10.783 1.00 0.00 C ATOM 1098 CD GLU A 72 2.964 -6.575 12.191 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.187 -7.255 12.895 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.092 -6.223 12.606 1.00 0.00 O ATOM 0 H GLU A 72 2.978 -8.750 7.749 1.00 0.00 H new ATOM 0 HA GLU A 72 1.347 -6.525 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.173 -8.114 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.809 -7.527 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.056 -5.240 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.459 -5.897 10.806 1.00 0.00 H new ATOM 1107 N GLN A 73 4.514 -5.785 7.505 1.00 0.00 N ATOM 1108 CA GLN A 73 5.471 -4.722 7.124 1.00 0.00 C ATOM 1109 C GLN A 73 4.971 -3.894 5.920 1.00 0.00 C ATOM 1110 O GLN A 73 5.276 -2.703 5.799 1.00 0.00 O ATOM 1111 CB GLN A 73 6.857 -5.354 6.825 1.00 0.00 C ATOM 1112 CG GLN A 73 7.981 -4.349 6.502 1.00 0.00 C ATOM 1113 CD GLN A 73 9.353 -5.005 6.356 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.097 -5.148 7.326 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.694 -5.424 5.150 1.00 0.00 N ATOM 0 H GLN A 73 4.916 -6.722 7.474 1.00 0.00 H new ATOM 0 HA GLN A 73 5.562 -4.031 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.160 -5.949 7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.752 -6.040 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.736 -3.825 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.027 -3.599 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.056 -5.292 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.595 -5.880 5.004 1.00 0.00 H new ATOM 1124 N TYR A 74 4.205 -4.538 5.029 1.00 0.00 N ATOM 1125 CA TYR A 74 3.629 -3.857 3.855 1.00 0.00 C ATOM 1126 C TYR A 74 2.137 -3.590 4.069 1.00 0.00 C ATOM 1127 O TYR A 74 1.757 -2.493 4.447 1.00 0.00 O ATOM 1128 CB TYR A 74 3.880 -4.695 2.575 1.00 0.00 C ATOM 1129 CG TYR A 74 5.363 -5.019 2.360 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.313 -3.998 2.306 1.00 0.00 C ATOM 1131 CD2 TYR A 74 5.811 -6.333 2.242 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.646 -4.276 2.134 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.146 -6.609 2.064 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.056 -5.578 2.019 1.00 0.00 C ATOM 1135 OH TYR A 74 9.385 -5.847 1.863 1.00 0.00 O ATOM 0 H TYR A 74 3.969 -5.528 5.096 1.00 0.00 H new ATOM 0 HA TYR A 74 4.121 -2.893 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.315 -5.625 2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.502 -4.151 1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.993 -2.971 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.101 -7.145 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.367 -3.473 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.479 -7.631 1.960 1.00 0.00 H new ATOM 0 HH TYR A 74 9.585 -5.969 0.911 1.00 0.00 H new ATOM 1145 N PHE A 75 1.324 -4.640 3.901 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.141 -4.565 3.722 1.00 0.00 C ATOM 1147 C PHE A 75 -0.906 -3.816 4.853 1.00 0.00 C ATOM 1148 O PHE A 75 -2.011 -3.332 4.591 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.711 -5.993 3.517 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.179 -6.730 2.272 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.088 -7.323 2.268 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.946 -6.842 1.116 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.567 -7.991 1.157 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.465 -7.515 -0.001 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.789 -8.090 0.021 1.00 0.00 C ATOM 0 H PHE A 75 1.673 -5.598 3.885 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.306 -3.956 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.483 -6.590 4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.797 -5.929 3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.705 -7.257 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.931 -6.399 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.551 -8.436 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.075 -7.588 -0.889 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.160 -8.615 -0.847 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.352 -3.724 6.102 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.916 -2.814 7.143 1.00 0.00 C ATOM 1167 C VAL A 76 -0.833 -1.375 6.619 1.00 0.00 C ATOM 1168 O VAL A 76 0.241 -0.918 6.309 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.189 -2.912 8.540 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.728 -1.865 9.548 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.310 -4.324 9.136 1.00 0.00 C ATOM 0 H VAL A 76 0.464 -4.256 6.404 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.946 -3.122 7.320 1.00 0.00 H new ATOM 0 HB VAL A 76 0.864 -2.697 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.200 -1.968 10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.569 -0.862 9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.794 -2.028 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.201 -4.358 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.362 -4.571 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.145 -5.046 8.458 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.968 -0.673 6.576 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.152 0.542 5.754 1.00 0.00 C ATOM 1183 C LEU A 77 -1.171 1.679 6.130 1.00 0.00 C ATOM 1184 O LEU A 77 -0.699 2.401 5.251 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.625 1.016 5.855 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.713 -0.097 5.662 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.125 0.500 5.615 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.439 -0.980 4.421 1.00 0.00 C ATOM 0 H LEU A 77 -2.797 -0.928 7.113 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.923 0.281 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.773 1.477 6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.789 1.792 5.108 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.652 -0.747 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.854 -0.299 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.330 1.024 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.196 1.200 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.220 -1.735 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.432 -0.358 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.472 -1.470 4.530 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.892 1.824 7.443 1.00 0.00 N ATOM 1201 CA LYS A 78 0.108 2.797 7.954 1.00 0.00 C ATOM 1202 C LYS A 78 1.565 2.383 7.594 1.00 0.00 C ATOM 1203 O LYS A 78 2.403 3.249 7.306 1.00 0.00 O ATOM 1204 CB LYS A 78 -0.048 2.980 9.491 1.00 0.00 C ATOM 1205 CG LYS A 78 0.206 1.704 10.323 1.00 0.00 C ATOM 1206 CD LYS A 78 -0.098 1.880 11.826 1.00 0.00 C ATOM 1207 CE LYS A 78 0.134 0.588 12.626 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.549 0.120 12.576 1.00 0.00 N ATOM 0 H LYS A 78 -1.346 1.278 8.175 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.085 3.751 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.642 3.756 9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.056 3.339 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.408 0.894 9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.247 1.403 10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.531 2.673 12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.133 2.200 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.152 0.754 13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.516 -0.196 12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.653 -0.734 13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.808 -0.099 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.175 0.866 12.941 1.00 0.00 H new ATOM 1222 N ASN A 79 1.850 1.059 7.611 1.00 0.00 N ATOM 1223 CA ASN A 79 3.179 0.492 7.258 1.00 0.00 C ATOM 1224 C ASN A 79 3.428 0.625 5.749 1.00 0.00 C ATOM 1225 O ASN A 79 4.532 0.960 5.320 1.00 0.00 O ATOM 1226 CB ASN A 79 3.271 -1.003 7.677 1.00 0.00 C ATOM 1227 CG ASN A 79 3.220 -1.248 9.184 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.653 -0.469 9.946 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.803 -2.355 9.622 1.00 0.00 N ATOM 0 H ASN A 79 1.164 0.350 7.870 1.00 0.00 H new ATOM 0 HA ASN A 79 3.942 1.052 7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.454 -1.549 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.199 -1.419 7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.789 -2.580 10.617 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.266 -2.982 8.964 1.00 0.00 H new ATOM 1236 N LEU A 80 2.391 0.294 4.969 1.00 0.00 N ATOM 1237 CA LEU A 80 2.301 0.531 3.523 1.00 0.00 C ATOM 1238 C LEU A 80 2.574 1.999 3.199 1.00 0.00 C ATOM 1239 O LEU A 80 3.386 2.304 2.338 1.00 0.00 O ATOM 1240 CB LEU A 80 0.879 0.126 3.032 1.00 0.00 C ATOM 1241 CG LEU A 80 0.611 0.179 1.494 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.574 -0.747 0.714 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.866 -0.166 1.192 1.00 0.00 C ATOM 0 H LEU A 80 1.560 -0.164 5.343 1.00 0.00 H new ATOM 0 HA LEU A 80 3.052 -0.071 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.680 -0.890 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.155 0.776 3.523 1.00 0.00 H new ATOM 0 HG LEU A 80 0.803 1.197 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.357 -0.683 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.603 -0.436 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.442 -1.775 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.037 -0.125 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.087 -1.169 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.517 0.553 1.690 1.00 0.00 H new ATOM 1255 N ALA A 81 1.918 2.890 3.956 1.00 0.00 N ATOM 1256 CA ALA A 81 2.061 4.344 3.802 1.00 0.00 C ATOM 1257 C ALA A 81 3.475 4.821 4.189 1.00 0.00 C ATOM 1258 O ALA A 81 3.925 5.839 3.699 1.00 0.00 O ATOM 1259 CB ALA A 81 0.990 5.072 4.624 1.00 0.00 C ATOM 0 H ALA A 81 1.270 2.620 4.696 1.00 0.00 H new ATOM 0 HA ALA A 81 1.917 4.587 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.107 6.149 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.000 4.773 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.101 4.813 5.677 1.00 0.00 H new ATOM 1265 N ALA A 82 4.160 4.067 5.068 1.00 0.00 N ATOM 1266 CA ALA A 82 5.563 4.350 5.443 1.00 0.00 C ATOM 1267 C ALA A 82 6.527 3.915 4.314 1.00 0.00 C ATOM 1268 O ALA A 82 7.481 4.632 3.982 1.00 0.00 O ATOM 1269 CB ALA A 82 5.908 3.647 6.763 1.00 0.00 C ATOM 0 H ALA A 82 3.764 3.252 5.536 1.00 0.00 H new ATOM 0 HA ALA A 82 5.679 5.424 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.943 3.862 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.247 4.008 7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.779 2.571 6.647 1.00 0.00 H new ATOM 1275 N ARG A 83 6.257 2.727 3.734 1.00 0.00 N ATOM 1276 CA ARG A 83 6.986 2.187 2.565 1.00 0.00 C ATOM 1277 C ARG A 83 6.879 3.130 1.347 1.00 0.00 C ATOM 1278 O ARG A 83 7.864 3.375 0.649 1.00 0.00 O ATOM 1279 CB ARG A 83 6.408 0.792 2.190 1.00 0.00 C ATOM 1280 CG ARG A 83 6.651 -0.338 3.217 1.00 0.00 C ATOM 1281 CD ARG A 83 8.148 -0.642 3.413 1.00 0.00 C ATOM 1282 NE ARG A 83 8.829 -1.009 2.147 1.00 0.00 N ATOM 1283 CZ ARG A 83 9.834 -0.326 1.581 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.252 0.816 2.082 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.409 -0.787 0.504 1.00 0.00 N ATOM 0 H ARG A 83 5.518 2.108 4.067 1.00 0.00 H new ATOM 0 HA ARG A 83 8.038 2.098 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.333 0.894 2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.837 0.487 1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.212 -0.056 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.140 -1.242 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.638 0.231 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.258 -1.456 4.129 1.00 0.00 H new ATOM 0 HE ARG A 83 8.506 -1.850 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.810 1.199 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.019 1.319 1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.094 -1.666 0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.174 -0.268 0.072 1.00 0.00 H new ATOM 1299 N ILE A 84 5.660 3.635 1.123 1.00 0.00 N ATOM 1300 CA ILE A 84 5.339 4.550 0.015 1.00 0.00 C ATOM 1301 C ILE A 84 5.924 5.942 0.288 1.00 0.00 C ATOM 1302 O ILE A 84 6.407 6.597 -0.631 1.00 0.00 O ATOM 1303 CB ILE A 84 3.784 4.615 -0.210 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.263 3.210 -0.649 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.362 5.714 -1.225 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.756 3.076 -0.663 1.00 0.00 C ATOM 0 H ILE A 84 4.856 3.418 1.713 1.00 0.00 H new ATOM 0 HA ILE A 84 5.792 4.170 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 84 3.324 4.895 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.644 2.991 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.676 2.457 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.278 5.709 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.684 6.689 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.828 5.516 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.483 2.069 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.365 3.260 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.333 3.802 -1.357 1.00 0.00 H new ATOM 1318 N ASP A 85 5.857 6.382 1.560 1.00 0.00 N ATOM 1319 CA ASP A 85 6.554 7.600 2.037 1.00 0.00 C ATOM 1320 C ASP A 85 8.057 7.551 1.718 1.00 0.00 C ATOM 1321 O ASP A 85 8.653 8.566 1.371 1.00 0.00 O ATOM 1322 CB ASP A 85 6.345 7.804 3.559 1.00 0.00 C ATOM 1323 CG ASP A 85 6.889 9.151 4.080 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.143 10.153 4.054 1.00 0.00 O ATOM 1325 OD2 ASP A 85 8.058 9.219 4.517 1.00 0.00 O ATOM 0 H ASP A 85 5.321 5.907 2.286 1.00 0.00 H new ATOM 0 HA ASP A 85 6.117 8.446 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.280 7.740 3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.833 6.991 4.097 1.00 0.00 H new ATOM 1330 N GLU A 86 8.641 6.355 1.840 1.00 0.00 N ATOM 1331 CA GLU A 86 10.054 6.124 1.516 1.00 0.00 C ATOM 1332 C GLU A 86 10.311 6.256 -0.002 1.00 0.00 C ATOM 1333 O GLU A 86 11.325 6.812 -0.408 1.00 0.00 O ATOM 1334 CB GLU A 86 10.484 4.732 2.032 1.00 0.00 C ATOM 1335 CG GLU A 86 11.981 4.404 1.855 1.00 0.00 C ATOM 1336 CD GLU A 86 12.425 3.167 2.649 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.325 3.199 3.893 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.854 2.164 2.041 1.00 0.00 O ATOM 0 H GLU A 86 8.150 5.522 2.165 1.00 0.00 H new ATOM 0 HA GLU A 86 10.655 6.887 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.235 4.661 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.898 3.973 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.189 4.243 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.574 5.262 2.170 1.00 0.00 H new ATOM 1345 N LEU A 87 9.387 5.712 -0.819 1.00 0.00 N ATOM 1346 CA LEU A 87 9.452 5.797 -2.300 1.00 0.00 C ATOM 1347 C LEU A 87 9.315 7.255 -2.813 1.00 0.00 C ATOM 1348 O LEU A 87 10.039 7.671 -3.730 1.00 0.00 O ATOM 1349 CB LEU A 87 8.358 4.894 -2.937 1.00 0.00 C ATOM 1350 CG LEU A 87 8.439 3.373 -2.580 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.231 2.605 -3.146 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.775 2.741 -3.042 1.00 0.00 C ATOM 0 H LEU A 87 8.574 5.201 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 87 10.437 5.441 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.381 5.268 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.414 4.997 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 87 8.407 3.294 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.314 1.551 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.311 3.013 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.211 2.707 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.789 1.684 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.871 2.843 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.606 3.250 -2.554 1.00 0.00 H new ATOM 1364 N VAL A 88 8.373 8.026 -2.227 1.00 0.00 N ATOM 1365 CA VAL A 88 8.156 9.444 -2.593 1.00 0.00 C ATOM 1366 C VAL A 88 9.292 10.331 -2.029 1.00 0.00 C ATOM 1367 O VAL A 88 9.580 11.401 -2.579 1.00 0.00 O ATOM 1368 CB VAL A 88 6.737 9.989 -2.140 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.589 9.102 -2.687 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.618 10.148 -0.605 1.00 0.00 C ATOM 0 H VAL A 88 7.748 7.688 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 88 8.173 9.494 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 88 6.642 10.985 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.631 9.504 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.624 9.093 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.704 8.085 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.626 10.524 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.771 9.181 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.373 10.851 -0.252 1.00 0.00 H new ATOM 1380 N ALA A 89 9.915 9.877 -0.924 1.00 0.00 N ATOM 1381 CA ALA A 89 11.104 10.536 -0.355 1.00 0.00 C ATOM 1382 C ALA A 89 12.345 10.263 -1.230 1.00 0.00 C ATOM 1383 O ALA A 89 13.204 11.118 -1.345 1.00 0.00 O ATOM 1384 CB ALA A 89 11.355 10.071 1.089 1.00 0.00 C ATOM 0 H ALA A 89 9.611 9.052 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 89 10.918 11.610 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.238 10.573 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.491 10.317 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.514 8.993 1.102 1.00 0.00 H new ATOM 1390 N ALA A 90 12.430 9.037 -1.796 1.00 0.00 N ATOM 1391 CA ALA A 90 13.523 8.599 -2.706 1.00 0.00 C ATOM 1392 C ALA A 90 13.724 9.535 -3.912 1.00 0.00 C ATOM 1393 O ALA A 90 14.857 9.943 -4.196 1.00 0.00 O ATOM 1394 CB ALA A 90 13.272 7.159 -3.182 1.00 0.00 C ATOM 0 H ALA A 90 11.733 8.311 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 90 14.446 8.641 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.078 6.850 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.236 6.492 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.323 7.113 -3.716 1.00 0.00 H new