USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 141 CYS SG : rot 151:sc= 1.22 USER MOD Set 1.2: A 145 GLN : amide:sc= 0.868 K(o=2.1,f=1.2) USER MOD Set 2.1: A 83 GLN : amide:sc= 0.132 K(o=0.13,f=-1.2) USER MOD Set 2.2: A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0779) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0391 K(o=-0.039,f=-1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.16) USER MOD Single : A 106 THR OG1 : rot -24:sc= 0.27 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 169:sc= 0 (180deg=-0.121) USER MOD Single : A 113 SER OG : rot 180:sc= -0.099 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.735 K(o=-0.74,f=-0.021) USER MOD Single : A 130 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=-0.79) USER MOD Single : A 131 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 MET CE :methyl -159:sc= -0.958 (180deg=-2.56!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 2.143 6.343 3.282 1.00 0.00 N ATOM 53 CA TRP A 64 3.046 6.267 2.163 1.00 0.00 C ATOM 54 C TRP A 64 3.081 7.639 1.522 1.00 0.00 C ATOM 55 O TRP A 64 4.122 8.283 1.510 1.00 0.00 O ATOM 56 CB TRP A 64 2.742 5.102 1.209 1.00 0.00 C ATOM 57 CG TRP A 64 1.394 4.451 1.170 1.00 0.00 C ATOM 58 CD1 TRP A 64 1.084 3.298 1.806 1.00 0.00 C ATOM 59 CD2 TRP A 64 0.258 4.749 0.305 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.145 2.845 1.379 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.681 3.681 0.417 1.00 0.00 C ATOM 62 CE3 TRP A 64 -0.053 5.783 -0.606 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.848 3.633 -0.360 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -1.240 5.761 -1.362 1.00 0.00 C ATOM 65 CH2 TRP A 64 -2.130 4.679 -1.255 1.00 0.00 C ATOM 0 HA TRP A 64 4.052 6.016 2.498 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.951 5.457 0.200 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.466 4.317 1.427 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.707 2.806 2.539 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.601 2.002 1.728 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.634 6.608 -0.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.526 2.797 -0.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.468 6.580 -2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.026 4.651 -1.857 1.00 0.00 H new ATOM 76 N GLY A 65 1.928 8.117 1.067 1.00 0.00 N ATOM 77 CA GLY A 65 1.767 9.469 0.584 1.00 0.00 C ATOM 78 C GLY A 65 2.747 9.759 -0.559 1.00 0.00 C ATOM 79 O GLY A 65 2.532 9.309 -1.683 1.00 0.00 O ATOM 0 H GLY A 65 1.072 7.563 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.744 9.617 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.933 10.173 1.399 1.00 0.00 H new ATOM 83 N ARG A 66 3.828 10.492 -0.278 1.00 0.00 N ATOM 84 CA ARG A 66 4.901 10.801 -1.229 1.00 0.00 C ATOM 85 C ARG A 66 5.850 9.627 -1.490 1.00 0.00 C ATOM 86 O ARG A 66 6.615 9.713 -2.445 1.00 0.00 O ATOM 87 CB ARG A 66 5.699 12.027 -0.746 1.00 0.00 C ATOM 88 CG ARG A 66 6.402 11.788 0.600 1.00 0.00 C ATOM 89 CD ARG A 66 7.151 13.033 1.073 1.00 0.00 C ATOM 90 NE ARG A 66 7.530 12.877 2.480 1.00 0.00 N ATOM 91 CZ ARG A 66 7.575 13.846 3.394 1.00 0.00 C ATOM 92 NH1 ARG A 66 7.514 15.122 3.028 1.00 0.00 N ATOM 93 NH2 ARG A 66 7.659 13.546 4.679 1.00 0.00 N ATOM 0 H ARG A 66 3.986 10.899 0.644 1.00 0.00 H new ATOM 0 HA ARG A 66 4.414 11.019 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.443 12.289 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.026 12.879 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.665 11.499 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.101 10.957 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.040 13.188 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.523 13.915 0.951 1.00 0.00 H new ATOM 0 HE ARG A 66 7.783 11.938 2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.432 15.366 2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.549 15.857 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.690 12.570 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.693 14.291 5.375 1.00 0.00 H new ATOM 107 N LEU A 67 5.814 8.551 -0.693 1.00 0.00 N ATOM 108 CA LEU A 67 6.684 7.374 -0.791 1.00 0.00 C ATOM 109 C LEU A 67 6.808 6.901 -2.237 1.00 0.00 C ATOM 110 O LEU A 67 7.923 6.730 -2.707 1.00 0.00 O ATOM 111 CB LEU A 67 6.166 6.263 0.140 1.00 0.00 C ATOM 112 CG LEU A 67 6.916 4.919 0.046 1.00 0.00 C ATOM 113 CD1 LEU A 67 8.424 5.079 0.142 1.00 0.00 C ATOM 114 CD2 LEU A 67 6.527 3.991 1.206 1.00 0.00 C ATOM 0 H LEU A 67 5.145 8.475 0.074 1.00 0.00 H new ATOM 0 HA LEU A 67 7.688 7.645 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.221 6.619 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.113 6.088 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 67 6.637 4.508 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.899 4.101 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.775 5.714 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.681 5.538 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.070 3.050 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.780 4.467 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.455 3.796 1.172 1.00 0.00 H new ATOM 126 N ALA A 68 5.705 6.744 -2.976 1.00 0.00 N ATOM 127 CA ALA A 68 5.772 6.248 -4.351 1.00 0.00 C ATOM 128 C ALA A 68 6.672 7.104 -5.264 1.00 0.00 C ATOM 129 O ALA A 68 7.219 6.564 -6.222 1.00 0.00 O ATOM 130 CB ALA A 68 4.359 6.124 -4.932 1.00 0.00 C ATOM 0 H ALA A 68 4.762 6.952 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 68 6.237 5.263 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.418 5.754 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.777 5.428 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.876 7.101 -4.926 1.00 0.00 H new ATOM 136 N CYS A 69 6.890 8.389 -4.955 1.00 0.00 N ATOM 137 CA CYS A 69 7.758 9.277 -5.716 1.00 0.00 C ATOM 138 C CYS A 69 9.228 8.875 -5.516 1.00 0.00 C ATOM 139 O CYS A 69 10.011 8.854 -6.468 1.00 0.00 O ATOM 140 CB CYS A 69 7.482 10.720 -5.266 1.00 0.00 C ATOM 141 SG CYS A 69 7.633 11.890 -6.640 1.00 0.00 S ATOM 0 H CYS A 69 6.456 8.843 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 69 7.554 9.200 -6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.480 10.784 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 69 8.180 10.995 -4.476 1.00 0.00 H new ATOM 0 HG CYS A 69 7.389 13.094 -6.214 1.00 0.00 H new ATOM 147 N TYR A 70 9.594 8.473 -4.295 1.00 0.00 N ATOM 148 CA TYR A 70 10.900 7.897 -3.980 1.00 0.00 C ATOM 149 C TYR A 70 11.082 6.518 -4.614 1.00 0.00 C ATOM 150 O TYR A 70 12.174 5.972 -4.527 1.00 0.00 O ATOM 151 CB TYR A 70 11.093 7.765 -2.459 1.00 0.00 C ATOM 152 CG TYR A 70 11.216 9.075 -1.715 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.066 9.805 -1.368 1.00 0.00 C ATOM 154 CD2 TYR A 70 12.490 9.586 -1.413 1.00 0.00 C ATOM 155 CE1 TYR A 70 10.186 11.064 -0.760 1.00 0.00 C ATOM 156 CE2 TYR A 70 12.617 10.832 -0.785 1.00 0.00 C ATOM 157 CZ TYR A 70 11.470 11.579 -0.451 1.00 0.00 C ATOM 158 OH TYR A 70 11.643 12.824 0.071 1.00 0.00 O ATOM 0 H TYR A 70 8.978 8.541 -3.485 1.00 0.00 H new ATOM 0 HA TYR A 70 11.645 8.579 -4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.251 7.209 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.988 7.172 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.087 9.396 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.373 9.017 -1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.302 11.639 -0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.598 11.221 -0.556 1.00 0.00 H new ATOM 0 HH TYR A 70 12.598 12.989 0.213 1.00 0.00 H new ATOM 168 N LEU A 71 10.046 5.913 -5.203 1.00 0.00 N ATOM 169 CA LEU A 71 10.096 4.541 -5.700 1.00 0.00 C ATOM 170 C LEU A 71 9.804 4.462 -7.198 1.00 0.00 C ATOM 171 O LEU A 71 9.598 3.359 -7.705 1.00 0.00 O ATOM 172 CB LEU A 71 9.161 3.638 -4.879 1.00 0.00 C ATOM 173 CG LEU A 71 9.357 3.690 -3.349 1.00 0.00 C ATOM 174 CD1 LEU A 71 8.263 2.823 -2.720 1.00 0.00 C ATOM 175 CD2 LEU A 71 10.747 3.271 -2.853 1.00 0.00 C ATOM 0 H LEU A 71 9.144 6.368 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 71 11.114 4.174 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.130 3.912 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.297 2.608 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 71 9.280 4.733 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.368 2.834 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.284 3.217 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.356 1.799 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.782 3.342 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.947 2.243 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.501 3.930 -3.284 1.00 0.00 H new ATOM 187 N GLU A 72 9.732 5.588 -7.915 1.00 0.00 N ATOM 188 CA GLU A 72 9.415 5.618 -9.349 1.00 0.00 C ATOM 189 C GLU A 72 10.537 6.214 -10.199 1.00 0.00 C ATOM 190 O GLU A 72 10.519 6.079 -11.423 1.00 0.00 O ATOM 191 CB GLU A 72 8.041 6.264 -9.585 1.00 0.00 C ATOM 192 CG GLU A 72 7.982 7.766 -9.279 1.00 0.00 C ATOM 193 CD GLU A 72 8.480 8.645 -10.424 1.00 0.00 C ATOM 194 OE1 GLU A 72 7.739 8.760 -11.431 1.00 0.00 O ATOM 195 OE2 GLU A 72 9.510 9.335 -10.262 1.00 0.00 O ATOM 0 H GLU A 72 9.893 6.512 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 72 9.342 4.588 -9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.754 6.107 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.302 5.751 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.954 8.040 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.578 7.970 -8.390 1.00 0.00 H new ATOM 202 N PHE A 73 11.569 6.772 -9.560 1.00 0.00 N ATOM 203 CA PHE A 73 12.781 7.213 -10.243 1.00 0.00 C ATOM 204 C PHE A 73 13.492 6.041 -10.942 1.00 0.00 C ATOM 205 O PHE A 73 14.267 6.259 -11.875 1.00 0.00 O ATOM 206 CB PHE A 73 13.724 7.864 -9.224 1.00 0.00 C ATOM 207 CG PHE A 73 14.469 6.861 -8.366 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.683 6.312 -8.821 1.00 0.00 C ATOM 209 CD2 PHE A 73 13.921 6.421 -7.150 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.375 5.376 -8.043 1.00 0.00 C ATOM 211 CE2 PHE A 73 14.610 5.468 -6.377 1.00 0.00 C ATOM 212 CZ PHE A 73 15.851 4.978 -6.804 1.00 0.00 C ATOM 0 H PHE A 73 11.584 6.929 -8.552 1.00 0.00 H new ATOM 0 HA PHE A 73 12.502 7.936 -11.010 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.446 8.485 -9.754 1.00 0.00 H new ATOM 0 HB3 PHE A 73 13.147 8.526 -8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 73 16.083 6.615 -9.777 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.974 6.813 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 73 17.308 4.962 -8.395 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.181 5.113 -5.452 1.00 0.00 H new ATOM 0 HZ PHE A 73 16.405 4.293 -6.179 1.00 0.00 H new ATOM 222 N LEU A 74 13.258 4.817 -10.463 1.00 0.00 N ATOM 223 CA LEU A 74 13.735 3.540 -10.954 1.00 0.00 C ATOM 224 C LEU A 74 12.568 2.724 -11.484 1.00 0.00 C ATOM 225 O LEU A 74 11.397 3.037 -11.261 1.00 0.00 O ATOM 226 CB LEU A 74 14.523 2.800 -9.859 1.00 0.00 C ATOM 227 CG LEU A 74 14.015 2.845 -8.404 1.00 0.00 C ATOM 228 CD1 LEU A 74 12.651 2.238 -8.132 1.00 0.00 C ATOM 229 CD2 LEU A 74 15.033 2.163 -7.473 1.00 0.00 C ATOM 0 H LEU A 74 12.670 4.693 -9.639 1.00 0.00 H new ATOM 0 HA LEU A 74 14.425 3.701 -11.782 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.586 1.752 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.539 3.194 -9.864 1.00 0.00 H new ATOM 0 HG LEU A 74 13.902 3.911 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.414 2.335 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.897 2.759 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.661 1.183 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.668 2.198 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.164 1.124 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.989 2.683 -7.536 1.00 0.00 H new ATOM 241 N LYS A 75 12.904 1.649 -12.182 1.00 0.00 N ATOM 242 CA LYS A 75 11.987 0.679 -12.771 1.00 0.00 C ATOM 243 C LYS A 75 12.464 -0.699 -12.357 1.00 0.00 C ATOM 244 O LYS A 75 13.443 -0.788 -11.617 1.00 0.00 O ATOM 245 CB LYS A 75 11.925 0.882 -14.295 1.00 0.00 C ATOM 246 CG LYS A 75 11.515 2.329 -14.601 1.00 0.00 C ATOM 247 CD LYS A 75 11.048 2.552 -16.033 1.00 0.00 C ATOM 248 CE LYS A 75 10.917 4.066 -16.214 1.00 0.00 C ATOM 249 NZ LYS A 75 10.088 4.418 -17.375 1.00 0.00 N ATOM 0 H LYS A 75 13.880 1.415 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 75 10.964 0.806 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.895 0.665 -14.741 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.209 0.189 -14.736 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.716 2.621 -13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.361 2.986 -14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.762 2.136 -16.744 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.094 2.055 -16.212 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.482 4.501 -15.314 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.909 4.503 -16.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.028 5.453 -17.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.515 4.026 -18.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.133 4.024 -17.252 1.00 0.00 H new ATOM 263 N LYS A 76 11.760 -1.753 -12.779 1.00 0.00 N ATOM 264 CA LYS A 76 11.930 -3.130 -12.304 1.00 0.00 C ATOM 265 C LYS A 76 13.380 -3.553 -12.109 1.00 0.00 C ATOM 266 O LYS A 76 13.669 -4.167 -11.091 1.00 0.00 O ATOM 267 CB LYS A 76 11.112 -4.124 -13.134 1.00 0.00 C ATOM 268 CG LYS A 76 11.422 -4.299 -14.625 1.00 0.00 C ATOM 269 CD LYS A 76 11.005 -3.080 -15.457 1.00 0.00 C ATOM 270 CE LYS A 76 10.811 -3.395 -16.947 1.00 0.00 C ATOM 271 NZ LYS A 76 9.613 -4.225 -17.193 1.00 0.00 N ATOM 0 H LYS A 76 11.030 -1.668 -13.486 1.00 0.00 H new ATOM 0 HA LYS A 76 11.517 -3.147 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.211 -5.102 -12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.064 -3.835 -13.050 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.490 -4.474 -14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.907 -5.184 -14.999 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.076 -2.676 -15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.762 -2.303 -15.353 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.725 -2.463 -17.505 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.693 -3.913 -17.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.407 -4.243 -18.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.787 -5.194 -16.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.801 -3.823 -16.683 1.00 0.00 H new ATOM 285 N GLU A 77 14.253 -3.113 -13.011 1.00 0.00 N ATOM 286 CA GLU A 77 15.711 -3.096 -12.920 1.00 0.00 C ATOM 287 C GLU A 77 16.204 -3.053 -11.466 1.00 0.00 C ATOM 288 O GLU A 77 16.751 -4.037 -10.963 1.00 0.00 O ATOM 289 CB GLU A 77 16.249 -1.873 -13.692 1.00 0.00 C ATOM 290 CG GLU A 77 15.742 -1.741 -15.129 1.00 0.00 C ATOM 291 CD GLU A 77 16.198 -2.894 -16.011 1.00 0.00 C ATOM 292 OE1 GLU A 77 17.311 -2.778 -16.569 1.00 0.00 O ATOM 293 OE2 GLU A 77 15.395 -3.836 -16.219 1.00 0.00 O ATOM 0 H GLU A 77 13.932 -2.727 -13.899 1.00 0.00 H new ATOM 0 HA GLU A 77 16.086 -4.020 -13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.981 -0.970 -13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.338 -1.924 -13.710 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.653 -1.698 -15.125 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.096 -0.801 -15.552 1.00 0.00 H new ATOM 300 N GLU A 78 15.975 -1.924 -10.792 1.00 0.00 N ATOM 301 CA GLU A 78 16.423 -1.633 -9.449 1.00 0.00 C ATOM 302 C GLU A 78 15.221 -1.696 -8.496 1.00 0.00 C ATOM 303 O GLU A 78 15.406 -2.007 -7.334 1.00 0.00 O ATOM 304 CB GLU A 78 17.059 -0.228 -9.425 1.00 0.00 C ATOM 305 CG GLU A 78 18.310 0.030 -10.282 1.00 0.00 C ATOM 306 CD GLU A 78 19.626 -0.400 -9.621 1.00 0.00 C ATOM 307 OE1 GLU A 78 19.976 -1.597 -9.725 1.00 0.00 O ATOM 308 OE2 GLU A 78 20.378 0.464 -9.113 1.00 0.00 O ATOM 0 H GLU A 78 15.443 -1.155 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 78 17.166 -2.363 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.295 0.486 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.314 0.002 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.203 -0.498 -11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.364 1.094 -10.515 1.00 0.00 H new ATOM 315 N LEU A 79 13.980 -1.455 -8.945 1.00 0.00 N ATOM 316 CA LEU A 79 12.766 -1.535 -8.120 1.00 0.00 C ATOM 317 C LEU A 79 12.547 -2.939 -7.548 1.00 0.00 C ATOM 318 O LEU A 79 12.090 -3.092 -6.416 1.00 0.00 O ATOM 319 CB LEU A 79 11.562 -1.093 -8.981 1.00 0.00 C ATOM 320 CG LEU A 79 10.196 -0.878 -8.296 1.00 0.00 C ATOM 321 CD1 LEU A 79 9.371 -2.164 -8.288 1.00 0.00 C ATOM 322 CD2 LEU A 79 10.243 -0.262 -6.892 1.00 0.00 C ATOM 0 H LEU A 79 13.789 -1.194 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 79 12.877 -0.872 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.834 -0.160 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.425 -1.839 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 79 9.708 -0.125 -8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.415 -1.980 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.197 -2.491 -9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.912 -2.940 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.229 -0.156 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.817 -0.910 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.717 0.718 -6.941 1.00 0.00 H new ATOM 334 N LYS A 80 12.849 -3.980 -8.324 1.00 0.00 N ATOM 335 CA LYS A 80 12.666 -5.363 -7.869 1.00 0.00 C ATOM 336 C LYS A 80 13.862 -5.789 -7.054 1.00 0.00 C ATOM 337 O LYS A 80 13.642 -6.451 -6.044 1.00 0.00 O ATOM 338 CB LYS A 80 12.312 -6.300 -9.033 1.00 0.00 C ATOM 339 CG LYS A 80 12.040 -7.754 -8.601 1.00 0.00 C ATOM 340 CD LYS A 80 13.252 -8.652 -8.889 1.00 0.00 C ATOM 341 CE LYS A 80 13.130 -10.036 -8.248 1.00 0.00 C ATOM 342 NZ LYS A 80 12.024 -10.832 -8.815 1.00 0.00 N ATOM 0 H LYS A 80 13.221 -3.895 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 80 11.803 -5.426 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.431 -5.912 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.129 -6.292 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.807 -7.783 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.167 -8.136 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.367 -8.765 -9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.155 -8.165 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.067 -10.577 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.977 -9.922 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.987 -11.759 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.124 -10.332 -8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.180 -10.967 -9.834 1.00 0.00 H new ATOM 356 N GLU A 81 15.074 -5.341 -7.369 1.00 0.00 N ATOM 357 CA GLU A 81 16.179 -5.435 -6.425 1.00 0.00 C ATOM 358 C GLU A 81 15.769 -4.776 -5.103 1.00 0.00 C ATOM 359 O GLU A 81 15.854 -5.404 -4.057 1.00 0.00 O ATOM 360 CB GLU A 81 17.484 -4.900 -7.041 1.00 0.00 C ATOM 361 CG GLU A 81 18.063 -5.987 -7.966 1.00 0.00 C ATOM 362 CD GLU A 81 19.500 -5.777 -8.441 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.354 -5.324 -7.645 1.00 0.00 O ATOM 364 OE2 GLU A 81 19.807 -6.194 -9.583 1.00 0.00 O ATOM 0 H GLU A 81 15.313 -4.913 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 81 16.400 -6.477 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.292 -3.986 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.199 -4.648 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.011 -6.943 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 81 17.421 -6.067 -8.843 1.00 0.00 H new ATOM 371 N PHE A 82 15.178 -3.589 -5.116 1.00 0.00 N ATOM 372 CA PHE A 82 14.803 -2.872 -3.910 1.00 0.00 C ATOM 373 C PHE A 82 13.652 -3.518 -3.128 1.00 0.00 C ATOM 374 O PHE A 82 13.480 -3.181 -1.955 1.00 0.00 O ATOM 375 CB PHE A 82 14.485 -1.422 -4.276 1.00 0.00 C ATOM 376 CG PHE A 82 14.411 -0.484 -3.094 1.00 0.00 C ATOM 377 CD1 PHE A 82 15.569 0.179 -2.644 1.00 0.00 C ATOM 378 CD2 PHE A 82 13.181 -0.286 -2.441 1.00 0.00 C ATOM 379 CE1 PHE A 82 15.479 1.085 -1.575 1.00 0.00 C ATOM 380 CE2 PHE A 82 13.086 0.651 -1.400 1.00 0.00 C ATOM 381 CZ PHE A 82 14.234 1.336 -0.971 1.00 0.00 C ATOM 0 H PHE A 82 14.944 -3.093 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 82 15.654 -2.913 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.246 -1.059 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.534 -1.394 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 82 16.521 -0.008 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.312 -0.853 -2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 82 16.365 1.589 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.133 0.844 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.161 2.060 -0.173 1.00 0.00 H new ATOM 391 N GLN A 83 12.871 -4.452 -3.694 1.00 0.00 N ATOM 392 CA GLN A 83 12.044 -5.325 -2.863 1.00 0.00 C ATOM 393 C GLN A 83 12.879 -6.516 -2.392 1.00 0.00 C ATOM 394 O GLN A 83 12.853 -6.876 -1.217 1.00 0.00 O ATOM 395 CB GLN A 83 10.750 -5.800 -3.557 1.00 0.00 C ATOM 396 CG GLN A 83 9.869 -6.468 -2.476 1.00 0.00 C ATOM 397 CD GLN A 83 8.578 -7.125 -2.948 1.00 0.00 C ATOM 398 OE1 GLN A 83 8.321 -7.319 -4.133 1.00 0.00 O ATOM 399 NE2 GLN A 83 7.743 -7.534 -2.004 1.00 0.00 N ATOM 0 H GLN A 83 12.798 -4.616 -4.698 1.00 0.00 H new ATOM 0 HA GLN A 83 11.715 -4.735 -2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.228 -4.959 -4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.979 -6.505 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.469 -7.224 -1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.613 -5.713 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.963 -7.369 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.880 -8.014 -2.259 1.00 0.00 H new ATOM 408 N LEU A 84 13.590 -7.171 -3.301 1.00 0.00 N ATOM 409 CA LEU A 84 14.198 -8.467 -3.064 1.00 0.00 C ATOM 410 C LEU A 84 15.314 -8.378 -2.037 1.00 0.00 C ATOM 411 O LEU A 84 15.371 -9.203 -1.127 1.00 0.00 O ATOM 412 CB LEU A 84 14.543 -9.108 -4.410 1.00 0.00 C ATOM 413 CG LEU A 84 16.014 -9.104 -4.861 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.768 -10.207 -4.118 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.143 -9.333 -6.370 1.00 0.00 C ATOM 0 H LEU A 84 13.761 -6.807 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 84 13.499 -9.156 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.206 -10.144 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.958 -8.604 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 84 16.438 -8.127 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.812 -10.210 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.713 -10.026 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.317 -11.173 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.196 -9.324 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.707 -10.297 -6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.618 -8.541 -6.904 1.00 0.00 H new ATOM 427 N LEU A 85 16.153 -7.361 -2.152 1.00 0.00 N ATOM 428 CA LEU A 85 17.238 -7.058 -1.244 1.00 0.00 C ATOM 429 C LEU A 85 16.672 -6.555 0.076 1.00 0.00 C ATOM 430 O LEU A 85 17.339 -6.684 1.102 1.00 0.00 O ATOM 431 CB LEU A 85 18.179 -6.018 -1.890 1.00 0.00 C ATOM 432 CG LEU A 85 18.748 -6.480 -3.251 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.563 -5.408 -3.966 1.00 0.00 C ATOM 434 CD2 LEU A 85 19.600 -7.729 -3.085 1.00 0.00 C ATOM 0 H LEU A 85 16.089 -6.694 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 85 17.818 -7.958 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.637 -5.082 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.004 -5.811 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 85 17.880 -6.696 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.931 -5.802 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.934 -4.538 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.408 -5.117 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.990 -8.035 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.430 -7.516 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.992 -8.532 -2.668 1.00 0.00 H new ATOM 446 N LEU A 86 15.428 -6.055 0.094 1.00 0.00 N ATOM 447 CA LEU A 86 14.746 -5.733 1.326 1.00 0.00 C ATOM 448 C LEU A 86 14.458 -7.066 1.995 1.00 0.00 C ATOM 449 O LEU A 86 14.840 -7.274 3.141 1.00 0.00 O ATOM 450 CB LEU A 86 13.517 -4.843 1.039 1.00 0.00 C ATOM 451 CG LEU A 86 12.121 -5.320 1.496 1.00 0.00 C ATOM 452 CD1 LEU A 86 11.979 -5.353 3.015 1.00 0.00 C ATOM 453 CD2 LEU A 86 11.028 -4.389 0.975 1.00 0.00 C ATOM 0 H LEU A 86 14.881 -5.869 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 86 15.337 -5.129 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.700 -3.872 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.473 -4.681 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 86 12.014 -6.327 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.979 -5.695 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.719 -6.035 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.138 -4.352 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.055 -4.747 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.196 -3.382 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.053 -4.373 -0.115 1.00 0.00 H new ATOM 465 N ALA A 87 13.839 -7.999 1.271 1.00 0.00 N ATOM 466 CA ALA A 87 13.489 -9.306 1.790 1.00 0.00 C ATOM 467 C ALA A 87 14.729 -10.154 2.129 1.00 0.00 C ATOM 468 O ALA A 87 14.597 -11.146 2.841 1.00 0.00 O ATOM 469 CB ALA A 87 12.585 -10.012 0.771 1.00 0.00 C ATOM 0 H ALA A 87 13.567 -7.859 0.298 1.00 0.00 H new ATOM 0 HA ALA A 87 12.953 -9.178 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.313 -10.998 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.682 -9.421 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.117 -10.119 -0.174 1.00 0.00 H new ATOM 475 N ASN A 88 15.917 -9.795 1.632 1.00 0.00 N ATOM 476 CA ASN A 88 17.188 -10.406 2.016 1.00 0.00 C ATOM 477 C ASN A 88 17.610 -9.906 3.403 1.00 0.00 C ATOM 478 O ASN A 88 17.968 -10.702 4.271 1.00 0.00 O ATOM 479 CB ASN A 88 18.260 -10.096 0.955 1.00 0.00 C ATOM 480 CG ASN A 88 19.511 -10.965 1.087 1.00 0.00 C ATOM 481 OD1 ASN A 88 19.817 -11.534 2.131 1.00 0.00 O ATOM 482 ND2 ASN A 88 20.280 -11.096 0.027 1.00 0.00 N ATOM 0 H ASN A 88 16.021 -9.056 0.937 1.00 0.00 H new ATOM 0 HA ASN A 88 17.071 -11.488 2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.831 -10.237 -0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.545 -9.047 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 88 21.124 -11.667 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 88 20.032 -10.626 -0.844 1.00 0.00 H new ATOM 489 N LYS A 89 17.540 -8.589 3.655 1.00 0.00 N ATOM 490 CA LYS A 89 17.800 -8.019 4.963 1.00 0.00 C ATOM 491 C LYS A 89 16.722 -8.474 5.951 1.00 0.00 C ATOM 492 O LYS A 89 17.019 -8.658 7.135 1.00 0.00 O ATOM 493 CB LYS A 89 17.863 -6.483 4.803 1.00 0.00 C ATOM 494 CG LYS A 89 17.749 -5.733 6.130 1.00 0.00 C ATOM 495 CD LYS A 89 18.919 -6.038 7.082 1.00 0.00 C ATOM 496 CE LYS A 89 18.572 -5.770 8.548 1.00 0.00 C ATOM 497 NZ LYS A 89 19.606 -6.359 9.421 1.00 0.00 N ATOM 0 H LYS A 89 17.299 -7.896 2.946 1.00 0.00 H new ATOM 0 HA LYS A 89 18.751 -8.362 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 89 18.802 -6.213 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.060 -6.160 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.713 -4.661 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.811 -6.001 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.213 -7.081 6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.779 -5.431 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.502 -4.697 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.597 -6.196 8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.366 -6.175 10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.652 -7.385 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.529 -5.932 9.202 1.00 0.00 H new ATOM 511 N ALA A 90 15.477 -8.593 5.491 1.00 0.00 N ATOM 512 CA ALA A 90 14.340 -8.981 6.301 1.00 0.00 C ATOM 513 C ALA A 90 14.634 -10.308 6.993 1.00 0.00 C ATOM 514 O ALA A 90 15.346 -11.169 6.466 1.00 0.00 O ATOM 515 CB ALA A 90 13.076 -9.084 5.447 1.00 0.00 C ATOM 0 H ALA A 90 15.233 -8.416 4.517 1.00 0.00 H new ATOM 0 HA ALA A 90 14.168 -8.217 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.235 -9.377 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.867 -8.118 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.223 -9.831 4.667 1.00 0.00 H new ATOM 712 N LYS A 105 3.856 -7.895 -6.749 1.00 0.00 N ATOM 713 CA LYS A 105 4.416 -6.574 -6.566 1.00 0.00 C ATOM 714 C LYS A 105 5.316 -6.241 -7.754 1.00 0.00 C ATOM 715 O LYS A 105 6.346 -6.895 -7.942 1.00 0.00 O ATOM 716 CB LYS A 105 5.206 -6.553 -5.251 1.00 0.00 C ATOM 717 CG LYS A 105 4.509 -7.008 -3.953 1.00 0.00 C ATOM 718 CD LYS A 105 3.597 -5.992 -3.256 1.00 0.00 C ATOM 719 CE LYS A 105 2.204 -5.868 -3.876 1.00 0.00 C ATOM 720 NZ LYS A 105 1.294 -5.091 -3.013 1.00 0.00 N ATOM 0 HA LYS A 105 3.627 -5.824 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.088 -7.178 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.559 -5.533 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.916 -7.894 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.279 -7.313 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.492 -6.274 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.079 -5.015 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.280 -5.387 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.789 -6.862 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.345 -5.070 -3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.242 -5.535 -2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.652 -4.119 -2.917 1.00 0.00 H new ATOM 734 N THR A 106 4.951 -5.230 -8.534 1.00 0.00 N ATOM 735 CA THR A 106 5.704 -4.731 -9.683 1.00 0.00 C ATOM 736 C THR A 106 5.703 -3.194 -9.735 1.00 0.00 C ATOM 737 O THR A 106 6.378 -2.613 -10.591 1.00 0.00 O ATOM 738 CB THR A 106 5.192 -5.430 -10.968 1.00 0.00 C ATOM 739 OG1 THR A 106 5.823 -4.974 -12.150 1.00 0.00 O ATOM 740 CG2 THR A 106 3.690 -5.241 -11.192 1.00 0.00 C ATOM 0 H THR A 106 4.086 -4.713 -8.378 1.00 0.00 H new ATOM 0 HA THR A 106 6.759 -4.989 -9.587 1.00 0.00 H new ATOM 0 HB THR A 106 5.432 -6.478 -10.790 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.175 -4.071 -12.006 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.391 -5.753 -12.107 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.141 -5.657 -10.347 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.466 -4.178 -11.282 1.00 0.00 H new ATOM 748 N SER A 107 5.012 -2.492 -8.824 1.00 0.00 N ATOM 749 CA SER A 107 5.088 -1.039 -8.739 1.00 0.00 C ATOM 750 C SER A 107 5.477 -0.575 -7.351 1.00 0.00 C ATOM 751 O SER A 107 5.146 -1.201 -6.346 1.00 0.00 O ATOM 752 CB SER A 107 3.777 -0.386 -9.189 1.00 0.00 C ATOM 753 OG SER A 107 4.038 0.730 -10.018 1.00 0.00 O ATOM 0 H SER A 107 4.392 -2.918 -8.135 1.00 0.00 H new ATOM 0 HA SER A 107 5.875 -0.719 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.168 -1.112 -9.728 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.202 -0.073 -8.318 1.00 0.00 H new ATOM 0 HG SER A 107 3.191 1.135 -10.298 1.00 0.00 H new ATOM 759 N GLY A 108 6.124 0.584 -7.318 1.00 0.00 N ATOM 760 CA GLY A 108 6.636 1.205 -6.107 1.00 0.00 C ATOM 761 C GLY A 108 5.485 1.579 -5.191 1.00 0.00 C ATOM 762 O GLY A 108 5.536 1.289 -4.001 1.00 0.00 O ATOM 0 H GLY A 108 6.311 1.132 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.312 0.520 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.214 2.094 -6.360 1.00 0.00 H new ATOM 766 N MET A 109 4.406 2.130 -5.754 1.00 0.00 N ATOM 767 CA MET A 109 3.191 2.455 -5.020 1.00 0.00 C ATOM 768 C MET A 109 2.552 1.244 -4.324 1.00 0.00 C ATOM 769 O MET A 109 1.775 1.430 -3.386 1.00 0.00 O ATOM 770 CB MET A 109 2.172 3.085 -5.977 1.00 0.00 C ATOM 771 CG MET A 109 1.951 2.219 -7.223 1.00 0.00 C ATOM 772 SD MET A 109 0.351 2.432 -8.017 1.00 0.00 S ATOM 773 CE MET A 109 0.502 4.179 -8.427 1.00 0.00 C ATOM 0 H MET A 109 4.356 2.364 -6.746 1.00 0.00 H new ATOM 0 HA MET A 109 3.478 3.154 -4.234 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.224 3.224 -5.458 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.519 4.074 -6.278 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.733 2.444 -7.948 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.066 1.171 -6.945 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.306 4.466 -9.100 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.443 4.773 -7.515 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.460 4.357 -8.915 1.00 0.00 H new ATOM 783 N GLU A 110 2.851 0.020 -4.764 1.00 0.00 N ATOM 784 CA GLU A 110 2.216 -1.207 -4.313 1.00 0.00 C ATOM 785 C GLU A 110 3.171 -2.028 -3.446 1.00 0.00 C ATOM 786 O GLU A 110 2.710 -2.742 -2.557 1.00 0.00 O ATOM 787 CB GLU A 110 1.709 -1.991 -5.533 1.00 0.00 C ATOM 788 CG GLU A 110 0.371 -1.430 -6.052 1.00 0.00 C ATOM 789 CD GLU A 110 -0.069 -2.078 -7.369 1.00 0.00 C ATOM 790 OE1 GLU A 110 -0.003 -3.328 -7.477 1.00 0.00 O ATOM 791 OE2 GLU A 110 -0.432 -1.353 -8.323 1.00 0.00 O ATOM 0 H GLU A 110 3.569 -0.143 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 110 1.359 -0.969 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.454 -1.950 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.585 -3.040 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.401 -1.587 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.464 -0.353 -6.194 1.00 0.00 H new ATOM 798 N VAL A 111 4.491 -1.913 -3.631 1.00 0.00 N ATOM 799 CA VAL A 111 5.459 -2.351 -2.627 1.00 0.00 C ATOM 800 C VAL A 111 5.306 -1.441 -1.396 1.00 0.00 C ATOM 801 O VAL A 111 5.291 -1.937 -0.274 1.00 0.00 O ATOM 802 CB VAL A 111 6.888 -2.382 -3.219 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.935 -2.799 -2.171 1.00 0.00 C ATOM 804 CG2 VAL A 111 7.001 -3.406 -4.369 1.00 0.00 C ATOM 0 H VAL A 111 4.912 -1.518 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 111 5.268 -3.376 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 111 7.077 -1.368 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.924 -2.808 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.924 -2.090 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.699 -3.795 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.018 -3.401 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.761 -4.401 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.304 -3.139 -5.164 1.00 0.00 H new ATOM 814 N ALA A 112 5.083 -0.138 -1.578 1.00 0.00 N ATOM 815 CA ALA A 112 4.849 0.812 -0.499 1.00 0.00 C ATOM 816 C ALA A 112 3.691 0.388 0.406 1.00 0.00 C ATOM 817 O ALA A 112 3.875 0.222 1.614 1.00 0.00 O ATOM 818 CB ALA A 112 4.590 2.189 -1.110 1.00 0.00 C ATOM 0 H ALA A 112 5.060 0.292 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 112 5.735 0.845 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.413 2.913 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.457 2.497 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.715 2.141 -1.758 1.00 0.00 H new ATOM 824 N SER A 113 2.494 0.206 -0.154 1.00 0.00 N ATOM 825 CA SER A 113 1.324 -0.199 0.609 1.00 0.00 C ATOM 826 C SER A 113 1.459 -1.598 1.218 1.00 0.00 C ATOM 827 O SER A 113 0.748 -1.891 2.183 1.00 0.00 O ATOM 828 CB SER A 113 0.091 -0.094 -0.289 1.00 0.00 C ATOM 829 OG SER A 113 0.284 -0.836 -1.472 1.00 0.00 O ATOM 0 H SER A 113 2.314 0.337 -1.149 1.00 0.00 H new ATOM 0 HA SER A 113 1.221 0.475 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.786 -0.464 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.101 0.951 -0.534 1.00 0.00 H new ATOM 0 HG SER A 113 -0.513 -0.762 -2.038 1.00 0.00 H new ATOM 835 N TYR A 114 2.348 -2.442 0.689 1.00 0.00 N ATOM 836 CA TYR A 114 2.707 -3.739 1.255 1.00 0.00 C ATOM 837 C TYR A 114 3.591 -3.525 2.481 1.00 0.00 C ATOM 838 O TYR A 114 3.360 -4.120 3.528 1.00 0.00 O ATOM 839 CB TYR A 114 3.388 -4.592 0.165 1.00 0.00 C ATOM 840 CG TYR A 114 4.511 -5.528 0.582 1.00 0.00 C ATOM 841 CD1 TYR A 114 4.216 -6.815 1.058 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.857 -5.138 0.434 1.00 0.00 C ATOM 843 CE1 TYR A 114 5.249 -7.722 1.361 1.00 0.00 C ATOM 844 CE2 TYR A 114 6.897 -6.027 0.744 1.00 0.00 C ATOM 845 CZ TYR A 114 6.596 -7.326 1.202 1.00 0.00 C ATOM 846 OH TYR A 114 7.616 -8.191 1.432 1.00 0.00 O ATOM 0 H TYR A 114 2.852 -2.232 -0.172 1.00 0.00 H new ATOM 0 HA TYR A 114 1.822 -4.282 1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.617 -5.192 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.784 -3.913 -0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.187 -7.112 1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.090 -4.145 0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.013 -8.715 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.926 -5.717 0.632 1.00 0.00 H new ATOM 0 HH TYR A 114 8.471 -7.740 1.270 1.00 0.00 H new ATOM 856 N LEU A 115 4.596 -2.656 2.385 1.00 0.00 N ATOM 857 CA LEU A 115 5.612 -2.510 3.413 1.00 0.00 C ATOM 858 C LEU A 115 5.011 -1.929 4.694 1.00 0.00 C ATOM 859 O LEU A 115 5.259 -2.439 5.788 1.00 0.00 O ATOM 860 CB LEU A 115 6.764 -1.656 2.856 1.00 0.00 C ATOM 861 CG LEU A 115 8.105 -1.921 3.556 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.602 -3.347 3.301 1.00 0.00 C ATOM 863 CD2 LEU A 115 9.158 -0.954 3.006 1.00 0.00 C ATOM 0 H LEU A 115 4.724 -2.034 1.587 1.00 0.00 H new ATOM 0 HA LEU A 115 6.014 -3.486 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.872 -1.854 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.509 -0.601 2.960 1.00 0.00 H new ATOM 0 HG LEU A 115 7.954 -1.782 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.553 -3.498 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.870 -4.061 3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.737 -3.499 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.113 -1.137 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.268 -1.108 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.843 0.072 3.194 1.00 0.00 H new ATOM 875 N VAL A 116 4.154 -0.912 4.564 1.00 0.00 N ATOM 876 CA VAL A 116 3.405 -0.327 5.682 1.00 0.00 C ATOM 877 C VAL A 116 2.386 -1.344 6.254 1.00 0.00 C ATOM 878 O VAL A 116 1.839 -1.106 7.329 1.00 0.00 O ATOM 879 CB VAL A 116 2.747 1.001 5.212 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.023 1.816 6.307 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.792 1.964 4.607 1.00 0.00 C ATOM 0 H VAL A 116 3.958 -0.466 3.668 1.00 0.00 H new ATOM 0 HA VAL A 116 4.080 -0.089 6.504 1.00 0.00 H new ATOM 0 HB VAL A 116 2.009 0.654 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.602 2.721 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.222 1.215 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.733 2.088 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.299 2.882 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.547 2.199 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.268 1.491 3.748 1.00 0.00 H new ATOM 891 N ALA A 117 2.111 -2.464 5.572 1.00 0.00 N ATOM 892 CA ALA A 117 1.205 -3.522 6.017 1.00 0.00 C ATOM 893 C ALA A 117 1.954 -4.754 6.543 1.00 0.00 C ATOM 894 O ALA A 117 1.313 -5.723 6.955 1.00 0.00 O ATOM 895 CB ALA A 117 0.286 -3.908 4.855 1.00 0.00 C ATOM 0 H ALA A 117 2.530 -2.662 4.663 1.00 0.00 H new ATOM 0 HA ALA A 117 0.618 -3.138 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.394 -4.697 5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.290 -3.037 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.887 -4.265 4.019 1.00 0.00 H new ATOM 901 N GLN A 118 3.288 -4.753 6.495 1.00 0.00 N ATOM 902 CA GLN A 118 4.150 -5.784 7.060 1.00 0.00 C ATOM 903 C GLN A 118 4.857 -5.259 8.312 1.00 0.00 C ATOM 904 O GLN A 118 5.071 -6.009 9.267 1.00 0.00 O ATOM 905 CB GLN A 118 5.169 -6.198 5.993 1.00 0.00 C ATOM 906 CG GLN A 118 4.528 -6.993 4.845 1.00 0.00 C ATOM 907 CD GLN A 118 4.319 -8.467 5.196 1.00 0.00 C ATOM 908 OE1 GLN A 118 5.277 -9.182 5.483 1.00 0.00 O ATOM 909 NE2 GLN A 118 3.103 -8.975 5.159 1.00 0.00 N ATOM 0 H GLN A 118 3.814 -4.004 6.044 1.00 0.00 H new ATOM 0 HA GLN A 118 3.556 -6.649 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.650 -5.307 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 118 5.951 -6.800 6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.568 -6.545 4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 118 5.160 -6.920 3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.309 -8.381 4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.956 -9.962 5.369 1.00 0.00 H new ATOM 918 N TYR A 119 5.199 -3.965 8.344 1.00 0.00 N ATOM 919 CA TYR A 119 5.950 -3.370 9.454 1.00 0.00 C ATOM 920 C TYR A 119 5.303 -2.174 10.147 1.00 0.00 C ATOM 921 O TYR A 119 5.662 -1.878 11.292 1.00 0.00 O ATOM 922 CB TYR A 119 7.307 -2.923 8.927 1.00 0.00 C ATOM 923 CG TYR A 119 8.108 -4.050 8.327 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.805 -4.933 9.166 1.00 0.00 C ATOM 925 CD2 TYR A 119 8.154 -4.209 6.934 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.585 -5.957 8.612 1.00 0.00 C ATOM 927 CE2 TYR A 119 8.903 -5.253 6.375 1.00 0.00 C ATOM 928 CZ TYR A 119 9.640 -6.119 7.211 1.00 0.00 C ATOM 929 OH TYR A 119 10.411 -7.098 6.666 1.00 0.00 O ATOM 0 H TYR A 119 4.964 -3.304 7.604 1.00 0.00 H new ATOM 0 HA TYR A 119 6.002 -4.153 10.211 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.161 -2.148 8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 119 7.876 -2.474 9.741 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.740 -4.823 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 119 7.613 -3.528 6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 119 10.143 -6.621 9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 119 8.916 -5.395 5.304 1.00 0.00 H new ATOM 0 HH TYR A 119 10.333 -7.070 5.690 1.00 0.00 H new ATOM 939 N GLY A 120 4.448 -1.420 9.460 1.00 0.00 N ATOM 940 CA GLY A 120 4.246 -0.038 9.812 1.00 0.00 C ATOM 941 C GLY A 120 5.522 0.761 9.557 1.00 0.00 C ATOM 942 O GLY A 120 6.555 0.254 9.109 1.00 0.00 O ATOM 0 H GLY A 120 3.895 -1.748 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.425 0.378 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.962 0.040 10.862 1.00 0.00 H new ATOM 946 N GLU A 121 5.398 2.053 9.800 1.00 0.00 N ATOM 947 CA GLU A 121 6.304 3.073 9.293 1.00 0.00 C ATOM 948 C GLU A 121 7.744 2.990 9.791 1.00 0.00 C ATOM 949 O GLU A 121 8.610 3.534 9.105 1.00 0.00 O ATOM 950 CB GLU A 121 5.720 4.469 9.538 1.00 0.00 C ATOM 951 CG GLU A 121 4.716 4.753 8.421 1.00 0.00 C ATOM 952 CD GLU A 121 4.284 6.211 8.400 1.00 0.00 C ATOM 953 OE1 GLU A 121 5.002 7.031 7.786 1.00 0.00 O ATOM 954 OE2 GLU A 121 3.170 6.491 8.897 1.00 0.00 O ATOM 0 H GLU A 121 4.644 2.435 10.371 1.00 0.00 H new ATOM 0 HA GLU A 121 6.381 2.874 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.232 4.514 10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.511 5.219 9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.160 4.493 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.840 4.117 8.551 1.00 0.00 H new ATOM 961 N GLN A 122 8.033 2.309 10.907 1.00 0.00 N ATOM 962 CA GLN A 122 9.397 2.154 11.389 1.00 0.00 C ATOM 963 C GLN A 122 10.235 1.420 10.358 1.00 0.00 C ATOM 964 O GLN A 122 10.989 2.052 9.626 1.00 0.00 O ATOM 965 CB GLN A 122 9.404 1.460 12.755 1.00 0.00 C ATOM 966 CG GLN A 122 9.075 2.449 13.879 1.00 0.00 C ATOM 967 CD GLN A 122 10.320 3.213 14.334 1.00 0.00 C ATOM 968 OE1 GLN A 122 10.918 2.883 15.356 1.00 0.00 O ATOM 969 NE2 GLN A 122 10.772 4.227 13.617 1.00 0.00 N ATOM 0 H GLN A 122 7.330 1.857 11.491 1.00 0.00 H new ATOM 0 HA GLN A 122 9.848 3.136 11.530 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.677 0.648 12.757 1.00 0.00 H new ATOM 0 HB3 GLN A 122 10.382 1.013 12.934 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.319 3.155 13.535 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.647 1.911 14.725 1.00 0.00 H new ATOM 0 HE21 GLN A 122 10.283 4.509 12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.610 4.728 13.913 1.00 0.00 H new ATOM 978 N ARG A 123 10.118 0.093 10.265 1.00 0.00 N ATOM 979 CA ARG A 123 10.948 -0.625 9.293 1.00 0.00 C ATOM 980 C ARG A 123 10.554 -0.224 7.877 1.00 0.00 C ATOM 981 O ARG A 123 11.416 -0.233 7.009 1.00 0.00 O ATOM 982 CB ARG A 123 10.905 -2.151 9.443 1.00 0.00 C ATOM 983 CG ARG A 123 10.916 -2.688 10.877 1.00 0.00 C ATOM 984 CD ARG A 123 12.042 -2.107 11.737 1.00 0.00 C ATOM 985 NE ARG A 123 13.360 -2.608 11.304 1.00 0.00 N ATOM 986 CZ ARG A 123 14.513 -1.930 11.326 1.00 0.00 C ATOM 987 NH1 ARG A 123 14.568 -0.673 11.737 1.00 0.00 N ATOM 988 NH2 ARG A 123 15.641 -2.501 10.931 1.00 0.00 N ATOM 0 H ARG A 123 9.488 -0.485 10.822 1.00 0.00 H new ATOM 0 HA ARG A 123 11.978 -0.333 9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.008 -2.519 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.759 -2.572 8.913 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.958 -2.466 11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 123 11.013 -3.773 10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.026 -1.019 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 123 11.876 -2.369 12.782 1.00 0.00 H new ATOM 0 HE ARG A 123 13.396 -3.565 10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 123 13.719 -0.200 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.459 -0.177 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 123 15.637 -3.468 10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 123 16.514 -1.974 10.952 1.00 0.00 H new ATOM 1002 N ALA A 124 9.300 0.167 7.630 1.00 0.00 N ATOM 1003 CA ALA A 124 8.912 0.561 6.282 1.00 0.00 C ATOM 1004 C ALA A 124 9.662 1.800 5.767 1.00 0.00 C ATOM 1005 O ALA A 124 9.659 2.004 4.554 1.00 0.00 O ATOM 1006 CB ALA A 124 7.396 0.730 6.147 1.00 0.00 C ATOM 0 H ALA A 124 8.558 0.217 8.328 1.00 0.00 H new ATOM 0 HA ALA A 124 9.214 -0.266 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.152 1.024 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.903 -0.213 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.053 1.500 6.838 1.00 0.00 H new ATOM 1012 N TRP A 125 10.359 2.567 6.619 1.00 0.00 N ATOM 1013 CA TRP A 125 11.338 3.540 6.153 1.00 0.00 C ATOM 1014 C TRP A 125 12.745 3.145 6.579 1.00 0.00 C ATOM 1015 O TRP A 125 13.586 3.022 5.704 1.00 0.00 O ATOM 1016 CB TRP A 125 10.919 4.973 6.502 1.00 0.00 C ATOM 1017 CG TRP A 125 11.392 6.057 5.569 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.946 7.227 5.956 1.00 0.00 C ATOM 1019 CD2 TRP A 125 11.363 6.104 4.106 1.00 0.00 C ATOM 1020 NE1 TRP A 125 12.213 8.013 4.847 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.898 7.357 3.675 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.947 5.215 3.091 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 12.009 7.701 2.315 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 11.117 5.530 1.733 1.00 0.00 C ATOM 1025 CH2 TRP A 125 11.630 6.769 1.335 1.00 0.00 C ATOM 0 H TRP A 125 10.257 2.526 7.633 1.00 0.00 H new ATOM 0 HA TRP A 125 11.366 3.530 5.063 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.830 5.010 6.544 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.284 5.201 7.503 1.00 0.00 H new ATOM 0 HD1 TRP A 125 12.150 7.508 6.979 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.595 8.958 4.891 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.490 4.275 3.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 12.382 8.673 2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.847 4.802 0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 125 11.733 7.006 0.286 1.00 0.00 H new ATOM 1036 N ASP A 126 13.010 2.827 7.845 1.00 0.00 N ATOM 1037 CA ASP A 126 14.326 2.402 8.350 1.00 0.00 C ATOM 1038 C ASP A 126 14.966 1.305 7.470 1.00 0.00 C ATOM 1039 O ASP A 126 16.150 1.364 7.137 1.00 0.00 O ATOM 1040 CB ASP A 126 14.183 1.804 9.770 1.00 0.00 C ATOM 1041 CG ASP A 126 13.940 2.736 10.964 1.00 0.00 C ATOM 1042 OD1 ASP A 126 13.535 3.904 10.784 1.00 0.00 O ATOM 1043 OD2 ASP A 126 14.083 2.238 12.112 1.00 0.00 O ATOM 0 H ASP A 126 12.297 2.857 8.574 1.00 0.00 H new ATOM 0 HA ASP A 126 14.956 3.291 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.360 1.089 9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 126 15.091 1.237 9.978 1.00 0.00 H new ATOM 1048 N LEU A 127 14.201 0.272 7.092 1.00 0.00 N ATOM 1049 CA LEU A 127 14.680 -0.866 6.307 1.00 0.00 C ATOM 1050 C LEU A 127 14.824 -0.429 4.844 1.00 0.00 C ATOM 1051 O LEU A 127 15.761 -0.842 4.167 1.00 0.00 O ATOM 1052 CB LEU A 127 13.680 -2.031 6.473 1.00 0.00 C ATOM 1053 CG LEU A 127 14.150 -3.474 6.220 1.00 0.00 C ATOM 1054 CD1 LEU A 127 12.964 -4.423 6.477 1.00 0.00 C ATOM 1055 CD2 LEU A 127 14.652 -3.681 4.797 1.00 0.00 C ATOM 0 H LEU A 127 13.211 0.206 7.330 1.00 0.00 H new ATOM 0 HA LEU A 127 15.656 -1.208 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.293 -1.987 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 127 12.841 -1.839 5.805 1.00 0.00 H new ATOM 0 HG LEU A 127 14.982 -3.681 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 127 13.277 -5.452 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 127 12.629 -4.315 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.146 -4.174 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 127 14.972 -4.715 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.850 -3.461 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 127 15.494 -3.015 4.608 1.00 0.00 H new ATOM 1067 N ALA A 128 13.931 0.429 4.342 1.00 0.00 N ATOM 1068 CA ALA A 128 14.037 1.000 3.003 1.00 0.00 C ATOM 1069 C ALA A 128 15.312 1.848 2.881 1.00 0.00 C ATOM 1070 O ALA A 128 16.037 1.729 1.893 1.00 0.00 O ATOM 1071 CB ALA A 128 12.773 1.806 2.679 1.00 0.00 C ATOM 0 H ALA A 128 13.111 0.746 4.859 1.00 0.00 H new ATOM 0 HA ALA A 128 14.115 0.197 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.858 2.230 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.903 1.151 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.659 2.611 3.405 1.00 0.00 H new ATOM 1077 N LEU A 129 15.622 2.664 3.894 1.00 0.00 N ATOM 1078 CA LEU A 129 16.866 3.407 4.032 1.00 0.00 C ATOM 1079 C LEU A 129 18.028 2.424 3.997 1.00 0.00 C ATOM 1080 O LEU A 129 18.918 2.583 3.173 1.00 0.00 O ATOM 1081 CB LEU A 129 16.890 4.239 5.334 1.00 0.00 C ATOM 1082 CG LEU A 129 16.408 5.699 5.240 1.00 0.00 C ATOM 1083 CD1 LEU A 129 17.254 6.541 4.286 1.00 0.00 C ATOM 1084 CD2 LEU A 129 14.950 5.856 4.824 1.00 0.00 C ATOM 0 H LEU A 129 14.981 2.827 4.670 1.00 0.00 H new ATOM 0 HA LEU A 129 16.953 4.112 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.276 3.727 6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.911 4.243 5.714 1.00 0.00 H new ATOM 0 HG LEU A 129 16.518 6.058 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.868 7.560 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 129 18.288 6.553 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 129 17.211 6.111 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 129 14.695 6.915 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.802 5.409 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 129 14.309 5.356 5.550 1.00 0.00 H new ATOM 1096 N HIS A 130 18.015 1.368 4.812 1.00 0.00 N ATOM 1097 CA HIS A 130 19.049 0.340 4.735 1.00 0.00 C ATOM 1098 C HIS A 130 19.174 -0.247 3.318 1.00 0.00 C ATOM 1099 O HIS A 130 20.293 -0.479 2.861 1.00 0.00 O ATOM 1100 CB HIS A 130 18.782 -0.750 5.779 1.00 0.00 C ATOM 1101 CG HIS A 130 19.566 -2.015 5.533 1.00 0.00 C ATOM 1102 ND1 HIS A 130 20.764 -2.367 6.111 1.00 0.00 N ATOM 1103 CD2 HIS A 130 19.281 -2.938 4.564 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.168 -3.514 5.543 1.00 0.00 C ATOM 1105 NE2 HIS A 130 20.298 -3.899 4.590 1.00 0.00 N ATOM 0 H HIS A 130 17.306 1.204 5.526 1.00 0.00 H new ATOM 0 HA HIS A 130 20.009 0.805 4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.028 -0.364 6.768 1.00 0.00 H new ATOM 0 HB3 HIS A 130 17.718 -0.985 5.785 1.00 0.00 H new ATOM 0 HD2 HIS A 130 18.428 -2.927 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.065 -4.052 5.812 1.00 0.00 H new ATOM 0 HE2 HIS A 130 20.367 -4.729 4.002 1.00 0.00 H new ATOM 1113 N THR A 131 18.068 -0.518 2.615 1.00 0.00 N ATOM 1114 CA THR A 131 18.091 -1.192 1.308 1.00 0.00 C ATOM 1115 C THR A 131 18.846 -0.350 0.265 1.00 0.00 C ATOM 1116 O THR A 131 19.383 -0.872 -0.713 1.00 0.00 O ATOM 1117 CB THR A 131 16.654 -1.513 0.837 1.00 0.00 C ATOM 1118 OG1 THR A 131 15.866 -2.144 1.835 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.629 -2.456 -0.371 1.00 0.00 C ATOM 0 H THR A 131 17.130 -0.277 2.935 1.00 0.00 H new ATOM 0 HA THR A 131 18.628 -2.134 1.419 1.00 0.00 H new ATOM 0 HB THR A 131 16.243 -0.535 0.585 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.603 -1.484 2.510 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.596 -2.649 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.160 -1.995 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.114 -3.396 -0.109 1.00 0.00 H new ATOM 1127 N TRP A 132 18.943 0.959 0.501 1.00 0.00 N ATOM 1128 CA TRP A 132 19.744 1.840 -0.346 1.00 0.00 C ATOM 1129 C TRP A 132 21.216 1.473 -0.251 1.00 0.00 C ATOM 1130 O TRP A 132 21.925 1.544 -1.249 1.00 0.00 O ATOM 1131 CB TRP A 132 19.573 3.315 0.038 1.00 0.00 C ATOM 1132 CG TRP A 132 20.829 4.137 0.009 1.00 0.00 C ATOM 1133 CD1 TRP A 132 21.374 4.650 -1.109 1.00 0.00 C ATOM 1134 CD2 TRP A 132 21.828 4.340 1.056 1.00 0.00 C ATOM 1135 NE1 TRP A 132 22.641 5.130 -0.844 1.00 0.00 N ATOM 1136 CE2 TRP A 132 22.998 4.890 0.460 1.00 0.00 C ATOM 1137 CE3 TRP A 132 21.899 4.048 2.431 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 24.198 5.051 1.165 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 23.084 4.235 3.158 1.00 0.00 C ATOM 1140 CH2 TRP A 132 24.249 4.689 2.517 1.00 0.00 C ATOM 0 H TRP A 132 18.475 1.432 1.274 1.00 0.00 H new ATOM 0 HA TRP A 132 19.390 1.706 -1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.847 3.767 -0.638 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.149 3.365 1.041 1.00 0.00 H new ATOM 0 HD1 TRP A 132 20.890 4.682 -2.074 1.00 0.00 H new ATOM 0 HE1 TRP A 132 23.234 5.601 -1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 132 21.022 3.672 2.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 25.073 5.449 0.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 23.101 4.029 4.218 1.00 0.00 H new ATOM 0 HH2 TRP A 132 25.178 4.758 3.063 1.00 0.00 H new ATOM 1151 N GLU A 133 21.683 1.174 0.958 1.00 0.00 N ATOM 1152 CA GLU A 133 23.107 1.059 1.257 1.00 0.00 C ATOM 1153 C GLU A 133 23.750 -0.014 0.376 1.00 0.00 C ATOM 1154 O GLU A 133 24.902 0.138 -0.028 1.00 0.00 O ATOM 1155 CB GLU A 133 23.340 0.815 2.761 1.00 0.00 C ATOM 1156 CG GLU A 133 24.807 1.085 3.142 1.00 0.00 C ATOM 1157 CD GLU A 133 24.992 1.358 4.639 1.00 0.00 C ATOM 1158 OE1 GLU A 133 25.189 0.407 5.427 1.00 0.00 O ATOM 1159 OE2 GLU A 133 24.983 2.540 5.064 1.00 0.00 O ATOM 0 H GLU A 133 21.080 1.004 1.763 1.00 0.00 H new ATOM 0 HA GLU A 133 23.596 2.004 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.684 1.461 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.079 -0.213 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.416 0.227 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 133 25.174 1.940 2.574 1.00 0.00 H new ATOM 1166 N GLN A 134 22.985 -1.037 -0.005 1.00 0.00 N ATOM 1167 CA GLN A 134 23.279 -2.011 -1.015 1.00 0.00 C ATOM 1168 C GLN A 134 23.249 -1.356 -2.411 1.00 0.00 C ATOM 1169 O GLN A 134 24.287 -1.325 -3.073 1.00 0.00 O ATOM 1170 CB GLN A 134 22.250 -3.115 -0.750 1.00 0.00 C ATOM 1171 CG GLN A 134 22.005 -4.067 -1.891 1.00 0.00 C ATOM 1172 CD GLN A 134 23.227 -4.897 -2.276 1.00 0.00 C ATOM 1173 OE1 GLN A 134 23.805 -5.591 -1.445 1.00 0.00 O ATOM 1174 NE2 GLN A 134 23.638 -4.868 -3.528 1.00 0.00 N ATOM 0 H GLN A 134 22.077 -1.205 0.428 1.00 0.00 H new ATOM 0 HA GLN A 134 24.281 -2.440 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 134 22.577 -3.691 0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 134 21.303 -2.647 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 134 21.191 -4.740 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 134 21.675 -3.499 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 134 23.151 -4.288 -4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 134 24.443 -5.426 -3.814 1.00 0.00 H new ATOM 1183 N MET A 135 22.103 -0.828 -2.874 1.00 0.00 N ATOM 1184 CA MET A 135 21.949 -0.387 -4.264 1.00 0.00 C ATOM 1185 C MET A 135 22.793 0.839 -4.654 1.00 0.00 C ATOM 1186 O MET A 135 23.059 1.019 -5.840 1.00 0.00 O ATOM 1187 CB MET A 135 20.480 -0.114 -4.605 1.00 0.00 C ATOM 1188 CG MET A 135 19.548 -1.310 -4.378 1.00 0.00 C ATOM 1189 SD MET A 135 18.229 -1.539 -5.599 1.00 0.00 S ATOM 1190 CE MET A 135 17.655 0.163 -5.838 1.00 0.00 C ATOM 0 H MET A 135 21.269 -0.698 -2.301 1.00 0.00 H new ATOM 0 HA MET A 135 22.328 -1.224 -4.850 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.129 0.725 -4.004 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.412 0.192 -5.649 1.00 0.00 H new ATOM 0 HG2 MET A 135 20.153 -2.216 -4.353 1.00 0.00 H new ATOM 0 HG3 MET A 135 19.090 -1.206 -3.394 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.645 0.152 -6.248 1.00 0.00 H new ATOM 0 HE2 MET A 135 17.653 0.684 -4.881 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.322 0.678 -6.530 1.00 0.00 H new ATOM 1200 N GLY A 136 23.214 1.688 -3.712 1.00 0.00 N ATOM 1201 CA GLY A 136 24.142 2.790 -3.964 1.00 0.00 C ATOM 1202 C GLY A 136 23.486 4.131 -4.321 1.00 0.00 C ATOM 1203 O GLY A 136 24.194 5.093 -4.623 1.00 0.00 O ATOM 0 H GLY A 136 22.914 1.627 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.761 2.932 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.809 2.503 -4.777 1.00 0.00 H new ATOM 1207 N LEU A 137 22.163 4.272 -4.224 1.00 0.00 N ATOM 1208 CA LEU A 137 21.412 5.429 -4.733 1.00 0.00 C ATOM 1209 C LEU A 137 21.525 6.630 -3.783 1.00 0.00 C ATOM 1210 O LEU A 137 20.649 6.870 -2.952 1.00 0.00 O ATOM 1211 CB LEU A 137 19.930 5.028 -4.934 1.00 0.00 C ATOM 1212 CG LEU A 137 19.590 4.277 -6.234 1.00 0.00 C ATOM 1213 CD1 LEU A 137 19.844 5.118 -7.481 1.00 0.00 C ATOM 1214 CD2 LEU A 137 20.341 2.960 -6.369 1.00 0.00 C ATOM 0 H LEU A 137 21.568 3.572 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 137 21.839 5.731 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.628 4.405 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 137 19.324 5.933 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 137 18.523 4.066 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.587 4.539 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.230 6.018 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 137 20.896 5.399 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 137 20.061 2.476 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 137 21.414 3.151 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 137 20.087 2.309 -5.533 1.00 0.00 H new ATOM 1226 N ARG A 138 22.615 7.401 -3.876 1.00 0.00 N ATOM 1227 CA ARG A 138 22.885 8.471 -2.905 1.00 0.00 C ATOM 1228 C ARG A 138 21.784 9.521 -2.897 1.00 0.00 C ATOM 1229 O ARG A 138 21.339 9.913 -1.821 1.00 0.00 O ATOM 1230 CB ARG A 138 24.260 9.125 -3.137 1.00 0.00 C ATOM 1231 CG ARG A 138 25.089 9.165 -1.843 1.00 0.00 C ATOM 1232 CD ARG A 138 26.593 9.068 -2.113 1.00 0.00 C ATOM 1233 NE ARG A 138 27.162 10.301 -2.671 1.00 0.00 N ATOM 1234 CZ ARG A 138 27.807 11.233 -1.958 1.00 0.00 C ATOM 1235 NH1 ARG A 138 27.755 11.231 -0.631 1.00 0.00 N ATOM 1236 NH2 ARG A 138 28.536 12.153 -2.579 1.00 0.00 N ATOM 0 H ARG A 138 23.320 7.306 -4.607 1.00 0.00 H new ATOM 0 HA ARG A 138 22.903 7.999 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.804 8.570 -3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.123 10.138 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 138 24.877 10.090 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 138 24.785 8.344 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 138 27.108 8.827 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.779 8.245 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 138 27.059 10.459 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 138 27.219 10.514 -0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 138 28.251 11.947 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 138 28.604 12.149 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 138 29.028 12.864 -2.038 1.00 0.00 H new ATOM 1250 N SER A 139 21.307 9.893 -4.089 1.00 0.00 N ATOM 1251 CA SER A 139 20.217 10.836 -4.294 1.00 0.00 C ATOM 1252 C SER A 139 19.053 10.526 -3.353 1.00 0.00 C ATOM 1253 O SER A 139 18.535 11.420 -2.679 1.00 0.00 O ATOM 1254 CB SER A 139 19.790 10.795 -5.770 1.00 0.00 C ATOM 1255 OG SER A 139 19.515 12.095 -6.251 1.00 0.00 O ATOM 0 H SER A 139 21.686 9.530 -4.964 1.00 0.00 H new ATOM 0 HA SER A 139 20.552 11.846 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 139 20.579 10.341 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 139 18.906 10.167 -5.880 1.00 0.00 H new ATOM 0 HG SER A 139 19.247 12.046 -7.192 1.00 0.00 H new ATOM 1261 N LEU A 140 18.684 9.245 -3.295 1.00 0.00 N ATOM 1262 CA LEU A 140 17.568 8.746 -2.521 1.00 0.00 C ATOM 1263 C LEU A 140 17.862 8.894 -1.043 1.00 0.00 C ATOM 1264 O LEU A 140 17.061 9.480 -0.327 1.00 0.00 O ATOM 1265 CB LEU A 140 17.304 7.265 -2.852 1.00 0.00 C ATOM 1266 CG LEU A 140 16.390 7.006 -4.060 1.00 0.00 C ATOM 1267 CD1 LEU A 140 14.987 7.578 -3.809 1.00 0.00 C ATOM 1268 CD2 LEU A 140 16.935 7.472 -5.419 1.00 0.00 C ATOM 0 H LEU A 140 19.175 8.511 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 140 16.680 9.326 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 140 18.261 6.776 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.862 6.789 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 140 16.344 5.920 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 140 14.355 7.385 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 140 14.552 7.103 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.057 8.653 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 140 16.211 7.240 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 140 17.108 8.548 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 140 17.873 6.959 -5.630 1.00 0.00 H new ATOM 1280 N CYS A 141 18.973 8.333 -0.569 1.00 0.00 N ATOM 1281 CA CYS A 141 19.285 8.298 0.855 1.00 0.00 C ATOM 1282 C CYS A 141 19.404 9.683 1.461 1.00 0.00 C ATOM 1283 O CYS A 141 18.962 9.883 2.591 1.00 0.00 O ATOM 1284 CB CYS A 141 20.572 7.515 1.049 1.00 0.00 C ATOM 1285 SG CYS A 141 20.716 7.067 2.797 1.00 0.00 S ATOM 0 H CYS A 141 19.678 7.892 -1.160 1.00 0.00 H new ATOM 0 HA CYS A 141 18.461 7.810 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 141 20.567 6.619 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 141 21.429 8.113 0.740 1.00 0.00 H new ATOM 0 HG CYS A 141 21.393 5.963 2.908 1.00 0.00 H new ATOM 1291 N ALA A 142 19.985 10.613 0.711 1.00 0.00 N ATOM 1292 CA ALA A 142 20.006 12.009 1.064 1.00 0.00 C ATOM 1293 C ALA A 142 18.561 12.501 1.200 1.00 0.00 C ATOM 1294 O ALA A 142 18.121 12.786 2.312 1.00 0.00 O ATOM 1295 CB ALA A 142 20.818 12.748 0.002 1.00 0.00 C ATOM 0 H ALA A 142 20.458 10.405 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 142 20.486 12.195 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.851 13.810 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.832 12.350 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.351 12.612 -0.973 1.00 0.00 H new ATOM 1301 N GLN A 143 17.804 12.564 0.096 1.00 0.00 N ATOM 1302 CA GLN A 143 16.485 13.191 0.043 1.00 0.00 C ATOM 1303 C GLN A 143 15.493 12.547 1.027 1.00 0.00 C ATOM 1304 O GLN A 143 14.645 13.248 1.578 1.00 0.00 O ATOM 1305 CB GLN A 143 15.990 13.165 -1.417 1.00 0.00 C ATOM 1306 CG GLN A 143 14.883 14.193 -1.707 1.00 0.00 C ATOM 1307 CD GLN A 143 14.510 14.279 -3.195 1.00 0.00 C ATOM 1308 OE1 GLN A 143 15.272 13.891 -4.084 1.00 0.00 O ATOM 1309 NE2 GLN A 143 13.353 14.816 -3.535 1.00 0.00 N ATOM 0 H GLN A 143 18.100 12.173 -0.798 1.00 0.00 H new ATOM 0 HA GLN A 143 16.561 14.229 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 143 16.833 13.353 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.618 12.167 -1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 143 13.995 13.933 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 143 15.209 15.175 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.710 15.142 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.102 14.905 -4.520 1.00 0.00 H new ATOM 1318 N ALA A 144 15.632 11.243 1.299 1.00 0.00 N ATOM 1319 CA ALA A 144 14.861 10.456 2.262 1.00 0.00 C ATOM 1320 C ALA A 144 15.040 10.895 3.720 1.00 0.00 C ATOM 1321 O ALA A 144 14.347 10.363 4.593 1.00 0.00 O ATOM 1322 CB ALA A 144 15.262 8.982 2.123 1.00 0.00 C ATOM 0 H ALA A 144 16.332 10.676 0.820 1.00 0.00 H new ATOM 0 HA ALA A 144 13.809 10.615 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.695 8.382 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 144 15.048 8.641 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.328 8.874 2.325 1.00 0.00 H new ATOM 1328 N GLN A 145 15.976 11.806 3.999 1.00 0.00 N ATOM 1329 CA GLN A 145 16.351 12.245 5.332 1.00 0.00 C ATOM 1330 C GLN A 145 16.449 13.764 5.316 1.00 0.00 C ATOM 1331 O GLN A 145 15.557 14.410 5.866 1.00 0.00 O ATOM 1332 CB GLN A 145 17.660 11.564 5.760 1.00 0.00 C ATOM 1333 CG GLN A 145 17.404 10.097 6.120 1.00 0.00 C ATOM 1334 CD GLN A 145 18.701 9.338 6.325 1.00 0.00 C ATOM 1335 OE1 GLN A 145 19.137 9.107 7.448 1.00 0.00 O ATOM 1336 NE2 GLN A 145 19.388 8.964 5.263 1.00 0.00 N ATOM 0 H GLN A 145 16.511 12.273 3.267 1.00 0.00 H new ATOM 0 HA GLN A 145 15.603 11.958 6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 145 18.390 11.625 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 145 18.086 12.086 6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 145 16.803 10.044 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.826 9.623 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 145 19.027 9.155 4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 145 20.281 8.483 5.376 1.00 0.00 H new