USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= -0.491 X(o=-0.73,f=-0.8) USER MOD Set 1.2: A 62 CYS SG : rot 116:sc= -0.24 USER MOD Set 2.1: A 42 LYS NZ :NH3+ 161:sc= -0.439 (180deg=-2.39!) USER MOD Set 2.2: A 77 TYR OH : rot -43:sc= -0.143 USER MOD Set 3.1: A 30 CYS SG : rot 126:sc= -0.923 USER MOD Set 3.2: A 79 CYS SG : rot 118:sc= 1.27 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.66 X(o=-0.66,f=-0.43) USER MOD Single : A 18 GLN : amide:sc= -0.821 K(o=-0.82,f=-2!) USER MOD Single : A 25 THR OG1 : rot 170:sc= -0.0344 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 33 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.131 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -112:sc= -0.186 (180deg=-1.46) USER MOD Single : A 65 GLN : amide:sc=-0.00563 K(o=-0.0056,f=-1.6) USER MOD Single : A 71 MET CE :methyl 160:sc= -2.35! (180deg=-3.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.969 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -107:sc= -0.56 USER MOD Single : A 83 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.63) USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.0829! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -166:sc= -0.119 (180deg=-0.367) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.922 16.243 4.293 1.00 0.00 N ATOM 81 CA ALA A 9 -13.177 16.199 3.041 1.00 0.00 C ATOM 82 C ALA A 9 -13.734 15.129 2.108 1.00 0.00 C ATOM 83 O ALA A 9 -14.057 14.023 2.541 1.00 0.00 O ATOM 84 CB ALA A 9 -11.701 15.949 3.314 1.00 0.00 C ATOM 0 HA ALA A 9 -13.285 17.165 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.156 15.919 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.305 16.752 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.583 14.997 3.832 1.00 0.00 H new ATOM 90 N ARG A 10 -13.843 15.466 0.827 1.00 0.00 N ATOM 91 CA ARG A 10 -14.363 14.534 -0.166 1.00 0.00 C ATOM 92 C ARG A 10 -13.282 14.156 -1.174 1.00 0.00 C ATOM 93 O ARG A 10 -12.470 14.991 -1.573 1.00 0.00 O ATOM 94 CB ARG A 10 -15.562 15.146 -0.893 1.00 0.00 C ATOM 95 CG ARG A 10 -15.243 16.454 -1.599 1.00 0.00 C ATOM 96 CD ARG A 10 -16.398 16.908 -2.477 1.00 0.00 C ATOM 97 NE ARG A 10 -15.953 17.789 -3.553 1.00 0.00 N ATOM 98 CZ ARG A 10 -16.626 17.964 -4.686 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.767 17.321 -4.889 1.00 0.00 N ATOM 100 NH2 ARG A 10 -16.156 18.783 -5.618 1.00 0.00 N ATOM 0 H ARG A 10 -13.578 16.377 0.453 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.684 13.631 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.937 14.430 -1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.364 15.317 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.022 17.224 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.348 16.331 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.894 16.036 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.136 17.427 -1.865 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.078 18.298 -3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.131 16.690 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.281 17.457 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.278 19.279 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.673 18.917 -6.487 1.00 0.00 H new ATOM 114 N PHE A 11 -13.277 12.891 -1.582 1.00 0.00 N ATOM 115 CA PHE A 11 -12.295 12.401 -2.543 1.00 0.00 C ATOM 116 C PHE A 11 -12.590 12.934 -3.942 1.00 0.00 C ATOM 117 O PHE A 11 -13.417 12.379 -4.667 1.00 0.00 O ATOM 118 CB PHE A 11 -12.285 10.871 -2.559 1.00 0.00 C ATOM 119 CG PHE A 11 -11.715 10.263 -1.309 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.349 10.077 -1.174 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.546 9.877 -0.270 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.822 9.516 -0.025 1.00 0.00 C ATOM 123 CE2 PHE A 11 -12.025 9.316 0.881 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.662 9.137 1.004 1.00 0.00 C ATOM 0 H PHE A 11 -13.942 12.187 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.313 12.760 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.304 10.510 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.707 10.528 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.688 10.373 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.613 10.016 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.755 9.374 0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.684 9.018 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.253 8.701 1.903 1.00 0.00 H new ATOM 134 N ILE A 12 -11.910 14.013 -4.314 1.00 0.00 N ATOM 135 CA ILE A 12 -12.098 14.620 -5.625 1.00 0.00 C ATOM 136 C ILE A 12 -11.640 13.681 -6.737 1.00 0.00 C ATOM 137 O ILE A 12 -12.195 13.687 -7.835 1.00 0.00 O ATOM 138 CB ILE A 12 -11.333 15.951 -5.745 1.00 0.00 C ATOM 139 CG1 ILE A 12 -9.835 15.724 -5.529 1.00 0.00 C ATOM 140 CG2 ILE A 12 -11.871 16.963 -4.744 1.00 0.00 C ATOM 141 CD1 ILE A 12 -8.988 16.934 -5.854 1.00 0.00 C ATOM 0 H ILE A 12 -11.224 14.485 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.165 14.813 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.480 16.349 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.665 15.440 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.510 14.886 -6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.320 17.899 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.928 17.142 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.750 16.574 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.938 16.701 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.129 17.206 -6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.286 17.768 -5.219 1.00 0.00 H new ATOM 153 N GLU A 13 -10.625 12.875 -6.442 1.00 0.00 N ATOM 154 CA GLU A 13 -10.093 11.930 -7.417 1.00 0.00 C ATOM 155 C GLU A 13 -10.027 10.523 -6.830 1.00 0.00 C ATOM 156 O GLU A 13 -9.299 10.273 -5.870 1.00 0.00 O ATOM 157 CB GLU A 13 -8.702 12.368 -7.878 1.00 0.00 C ATOM 158 CG GLU A 13 -8.721 13.553 -8.829 1.00 0.00 C ATOM 159 CD GLU A 13 -7.343 13.897 -9.360 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.590 12.961 -9.705 1.00 0.00 O ATOM 161 OE2 GLU A 13 -7.016 15.100 -9.431 1.00 0.00 O ATOM 0 H GLU A 13 -10.155 12.857 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.764 11.916 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.103 12.624 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.209 11.528 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.384 13.332 -9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.135 14.420 -8.315 1.00 0.00 H new ATOM 168 N ASP A 14 -10.793 9.608 -7.414 1.00 0.00 N ATOM 169 CA ASP A 14 -10.823 8.226 -6.951 1.00 0.00 C ATOM 170 C ASP A 14 -9.634 7.443 -7.500 1.00 0.00 C ATOM 171 O ASP A 14 -9.317 7.527 -8.687 1.00 0.00 O ATOM 172 CB ASP A 14 -12.130 7.552 -7.371 1.00 0.00 C ATOM 173 CG ASP A 14 -12.606 8.011 -8.735 1.00 0.00 C ATOM 174 OD1 ASP A 14 -11.762 8.133 -9.647 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.822 8.249 -8.890 1.00 0.00 O ATOM 0 H ASP A 14 -11.402 9.799 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.760 8.233 -5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.990 6.471 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.900 7.766 -6.630 1.00 0.00 H new ATOM 180 N VAL A 15 -8.978 6.683 -6.628 1.00 0.00 N ATOM 181 CA VAL A 15 -7.824 5.886 -7.026 1.00 0.00 C ATOM 182 C VAL A 15 -8.155 4.996 -8.218 1.00 0.00 C ATOM 183 O VAL A 15 -9.323 4.731 -8.505 1.00 0.00 O ATOM 184 CB VAL A 15 -7.324 5.005 -5.865 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.958 5.863 -4.663 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.374 3.970 -5.492 1.00 0.00 C ATOM 0 H VAL A 15 -9.226 6.603 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.037 6.586 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.427 4.478 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.607 5.224 -3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.169 6.562 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.835 6.419 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.004 3.356 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.290 4.475 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.582 3.336 -6.354 1.00 0.00 H new ATOM 196 N LYS A 16 -7.119 4.536 -8.912 1.00 0.00 N ATOM 197 CA LYS A 16 -7.298 3.673 -10.074 1.00 0.00 C ATOM 198 C LYS A 16 -7.019 2.217 -9.718 1.00 0.00 C ATOM 199 O LYS A 16 -6.163 1.925 -8.883 1.00 0.00 O ATOM 200 CB LYS A 16 -6.376 4.118 -11.211 1.00 0.00 C ATOM 201 CG LYS A 16 -6.414 5.613 -11.476 1.00 0.00 C ATOM 202 CD LYS A 16 -7.802 6.071 -11.893 1.00 0.00 C ATOM 203 CE LYS A 16 -7.784 7.499 -12.416 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.507 7.550 -13.878 1.00 0.00 N ATOM 0 H LYS A 16 -6.146 4.747 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.334 3.756 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.353 3.826 -10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.655 3.589 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.107 6.150 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.697 5.863 -12.258 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.190 5.405 -12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.480 6.003 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.744 7.973 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.026 8.072 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.503 8.540 -14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.580 7.121 -14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.245 7.025 -14.390 1.00 0.00 H new ATOM 218 N ASN A 17 -7.745 1.306 -10.359 1.00 0.00 N ATOM 219 CA ASN A 17 -7.573 -0.121 -10.110 1.00 0.00 C ATOM 220 C ASN A 17 -6.097 -0.472 -9.949 1.00 0.00 C ATOM 221 O ASN A 17 -5.243 0.061 -10.656 1.00 0.00 O ATOM 222 CB ASN A 17 -8.181 -0.935 -11.254 1.00 0.00 C ATOM 223 CG ASN A 17 -9.428 -0.289 -11.825 1.00 0.00 C ATOM 224 OD1 ASN A 17 -10.536 -0.510 -11.336 1.00 0.00 O ATOM 225 ND2 ASN A 17 -9.253 0.516 -12.867 1.00 0.00 N ATOM 0 H ASN A 17 -8.457 1.530 -11.054 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.089 -0.368 -9.182 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.441 -1.052 -12.046 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.425 -1.935 -10.895 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.055 0.979 -13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.316 0.671 -13.240 1.00 0.00 H new ATOM 232 N GLN A 18 -5.807 -1.371 -9.015 1.00 0.00 N ATOM 233 CA GLN A 18 -4.434 -1.793 -8.761 1.00 0.00 C ATOM 234 C GLN A 18 -4.130 -3.110 -9.468 1.00 0.00 C ATOM 235 O GLN A 18 -5.005 -3.962 -9.615 1.00 0.00 O ATOM 236 CB GLN A 18 -4.193 -1.940 -7.258 1.00 0.00 C ATOM 237 CG GLN A 18 -2.739 -1.759 -6.855 1.00 0.00 C ATOM 238 CD GLN A 18 -2.167 -0.432 -7.312 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.001 -0.344 -7.697 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.988 0.612 -7.271 1.00 0.00 N ATOM 0 H GLN A 18 -6.504 -1.821 -8.421 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.766 -1.027 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.802 -1.208 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.530 -2.926 -6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.655 -1.832 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.146 -2.570 -7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.947 0.494 -6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.659 1.531 -7.566 1.00 0.00 H new ATOM 249 N GLU A 19 -2.884 -3.267 -9.905 1.00 0.00 N ATOM 250 CA GLU A 19 -2.466 -4.480 -10.598 1.00 0.00 C ATOM 251 C GLU A 19 -0.950 -4.646 -10.538 1.00 0.00 C ATOM 252 O GLU A 19 -0.201 -3.744 -10.911 1.00 0.00 O ATOM 253 CB GLU A 19 -2.929 -4.446 -12.056 1.00 0.00 C ATOM 254 CG GLU A 19 -2.747 -5.768 -12.783 1.00 0.00 C ATOM 255 CD GLU A 19 -3.440 -5.792 -14.132 1.00 0.00 C ATOM 256 OE1 GLU A 19 -3.205 -4.867 -14.937 1.00 0.00 O ATOM 257 OE2 GLU A 19 -4.218 -6.737 -14.381 1.00 0.00 O ATOM 0 H GLU A 19 -2.148 -2.570 -9.792 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.927 -5.331 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.982 -4.165 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.376 -3.670 -12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.683 -5.958 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.137 -6.576 -12.164 1.00 0.00 H new ATOM 264 N ALA A 20 -0.507 -5.806 -10.064 1.00 0.00 N ATOM 265 CA ALA A 20 0.919 -6.091 -9.955 1.00 0.00 C ATOM 266 C ALA A 20 1.170 -7.590 -9.835 1.00 0.00 C ATOM 267 O ALA A 20 0.362 -8.321 -9.262 1.00 0.00 O ATOM 268 CB ALA A 20 1.515 -5.357 -8.764 1.00 0.00 C ATOM 0 H ALA A 20 -1.114 -6.563 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 20 1.406 -5.739 -10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.580 -5.579 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.376 -4.283 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.017 -5.681 -7.850 1.00 0.00 H new ATOM 274 N ARG A 21 2.295 -8.042 -10.380 1.00 0.00 N ATOM 275 CA ARG A 21 2.652 -9.455 -10.335 1.00 0.00 C ATOM 276 C ARG A 21 3.079 -9.864 -8.928 1.00 0.00 C ATOM 277 O ARG A 21 3.635 -9.060 -8.181 1.00 0.00 O ATOM 278 CB ARG A 21 3.778 -9.750 -11.328 1.00 0.00 C ATOM 279 CG ARG A 21 3.298 -9.930 -12.758 1.00 0.00 C ATOM 280 CD ARG A 21 4.287 -10.741 -13.581 1.00 0.00 C ATOM 281 NE ARG A 21 4.220 -10.409 -15.001 1.00 0.00 N ATOM 282 CZ ARG A 21 3.332 -10.936 -15.837 1.00 0.00 C ATOM 283 NH1 ARG A 21 2.441 -11.814 -15.397 1.00 0.00 N ATOM 284 NH2 ARG A 21 3.334 -10.584 -17.117 1.00 0.00 N ATOM 0 H ARG A 21 2.975 -7.450 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 21 1.772 -10.035 -10.611 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.501 -8.935 -11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.301 -10.653 -11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.329 -10.429 -12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.154 -8.953 -13.220 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.297 -10.561 -13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.084 -11.804 -13.447 1.00 0.00 H new ATOM 0 HE ARG A 21 4.891 -9.736 -15.371 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.436 -12.087 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.761 -12.217 -16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.018 -9.909 -17.459 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.652 -10.989 -17.758 1.00 0.00 H new ATOM 298 N GLU A 22 2.815 -11.118 -8.576 1.00 0.00 N ATOM 299 CA GLU A 22 3.171 -11.632 -7.259 1.00 0.00 C ATOM 300 C GLU A 22 4.578 -11.191 -6.865 1.00 0.00 C ATOM 301 O GLU A 22 5.468 -11.092 -7.708 1.00 0.00 O ATOM 302 CB GLU A 22 3.080 -13.159 -7.241 1.00 0.00 C ATOM 303 CG GLU A 22 1.711 -13.683 -6.842 1.00 0.00 C ATOM 304 CD GLU A 22 1.672 -15.195 -6.738 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.262 -15.866 -7.611 1.00 0.00 O ATOM 306 OE2 GLU A 22 1.052 -15.708 -5.783 1.00 0.00 O ATOM 0 H GLU A 22 2.356 -11.796 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 22 2.465 -11.225 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.332 -13.541 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.825 -13.551 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.425 -13.249 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.973 -13.354 -7.573 1.00 0.00 H new ATOM 313 N GLY A 23 4.769 -10.926 -5.576 1.00 0.00 N ATOM 314 CA GLY A 23 6.068 -10.497 -5.091 1.00 0.00 C ATOM 315 C GLY A 23 6.354 -9.043 -5.409 1.00 0.00 C ATOM 316 O GLY A 23 7.508 -8.656 -5.592 1.00 0.00 O ATOM 0 H GLY A 23 4.047 -11.001 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.117 -10.646 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.843 -11.122 -5.535 1.00 0.00 H new ATOM 320 N ALA A 24 5.301 -8.235 -5.475 1.00 0.00 N ATOM 321 CA ALA A 24 5.445 -6.815 -5.772 1.00 0.00 C ATOM 322 C ALA A 24 4.833 -5.959 -4.669 1.00 0.00 C ATOM 323 O ALA A 24 4.310 -6.478 -3.682 1.00 0.00 O ATOM 324 CB ALA A 24 4.804 -6.489 -7.113 1.00 0.00 C ATOM 0 H ALA A 24 4.339 -8.539 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 24 6.509 -6.586 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.919 -5.425 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.290 -7.068 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.744 -6.740 -7.080 1.00 0.00 H new ATOM 330 N THR A 25 4.903 -4.642 -4.840 1.00 0.00 N ATOM 331 CA THR A 25 4.358 -3.713 -3.858 1.00 0.00 C ATOM 332 C THR A 25 3.340 -2.774 -4.495 1.00 0.00 C ATOM 333 O THR A 25 3.703 -1.860 -5.234 1.00 0.00 O ATOM 334 CB THR A 25 5.470 -2.876 -3.199 1.00 0.00 C ATOM 335 OG1 THR A 25 6.493 -3.737 -2.687 1.00 0.00 O ATOM 336 CG2 THR A 25 4.908 -2.022 -2.072 1.00 0.00 C ATOM 0 H THR A 25 5.332 -4.195 -5.650 1.00 0.00 H new ATOM 0 HA THR A 25 3.865 -4.314 -3.094 1.00 0.00 H new ATOM 0 HB THR A 25 5.896 -2.217 -3.956 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.267 -3.200 -2.416 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.712 -1.440 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.150 -1.347 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.459 -2.667 -1.316 1.00 0.00 H new ATOM 344 N ALA A 26 2.064 -3.006 -4.203 1.00 0.00 N ATOM 345 CA ALA A 26 0.994 -2.178 -4.746 1.00 0.00 C ATOM 346 C ALA A 26 1.146 -0.726 -4.305 1.00 0.00 C ATOM 347 O ALA A 26 1.822 -0.434 -3.319 1.00 0.00 O ATOM 348 CB ALA A 26 -0.362 -2.722 -4.320 1.00 0.00 C ATOM 0 H ALA A 26 1.746 -3.760 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 26 1.060 -2.209 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.152 -2.094 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.478 -3.741 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.429 -2.721 -3.232 1.00 0.00 H new ATOM 354 N VAL A 27 0.512 0.180 -5.042 1.00 0.00 N ATOM 355 CA VAL A 27 0.577 1.602 -4.727 1.00 0.00 C ATOM 356 C VAL A 27 -0.745 2.295 -5.041 1.00 0.00 C ATOM 357 O VAL A 27 -1.085 2.509 -6.206 1.00 0.00 O ATOM 358 CB VAL A 27 1.707 2.300 -5.507 1.00 0.00 C ATOM 359 CG1 VAL A 27 2.026 3.653 -4.889 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.946 1.418 -5.550 1.00 0.00 C ATOM 0 H VAL A 27 -0.052 -0.045 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 27 0.781 1.680 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 27 1.371 2.466 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.827 4.131 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.137 4.283 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.343 3.515 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.735 1.926 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.287 1.220 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.705 0.476 -6.042 1.00 0.00 H new ATOM 370 N LEU A 28 -1.486 2.645 -3.996 1.00 0.00 N ATOM 371 CA LEU A 28 -2.771 3.316 -4.159 1.00 0.00 C ATOM 372 C LEU A 28 -2.656 4.801 -3.833 1.00 0.00 C ATOM 373 O LEU A 28 -2.394 5.177 -2.691 1.00 0.00 O ATOM 374 CB LEU A 28 -3.825 2.665 -3.261 1.00 0.00 C ATOM 375 CG LEU A 28 -4.341 1.298 -3.713 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.746 0.457 -2.512 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.510 1.460 -4.673 1.00 0.00 C ATOM 0 H LEU A 28 -1.219 2.475 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.076 3.215 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.406 2.560 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.674 3.343 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.536 0.782 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.111 -0.512 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.883 0.312 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.535 0.968 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.864 0.477 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.318 1.996 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.187 2.023 -5.549 1.00 0.00 H new ATOM 389 N GLN A 29 -2.855 5.641 -4.844 1.00 0.00 N ATOM 390 CA GLN A 29 -2.775 7.085 -4.664 1.00 0.00 C ATOM 391 C GLN A 29 -4.133 7.739 -4.894 1.00 0.00 C ATOM 392 O GLN A 29 -4.855 7.382 -5.826 1.00 0.00 O ATOM 393 CB GLN A 29 -1.740 7.683 -5.619 1.00 0.00 C ATOM 394 CG GLN A 29 -0.344 7.107 -5.441 1.00 0.00 C ATOM 395 CD GLN A 29 0.645 7.650 -6.453 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.262 8.313 -7.418 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.925 7.372 -6.239 1.00 0.00 N ATOM 0 H GLN A 29 -3.073 5.346 -5.796 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.467 7.281 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.065 7.515 -6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.701 8.762 -5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.012 7.331 -4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.389 6.022 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.198 6.819 -5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.636 7.711 -6.887 1.00 0.00 H new ATOM 406 N CYS A 30 -4.476 8.697 -4.040 1.00 0.00 N ATOM 407 CA CYS A 30 -5.749 9.400 -4.149 1.00 0.00 C ATOM 408 C CYS A 30 -5.578 10.885 -3.849 1.00 0.00 C ATOM 409 O CYS A 30 -4.480 11.340 -3.528 1.00 0.00 O ATOM 410 CB CYS A 30 -6.776 8.789 -3.195 1.00 0.00 C ATOM 411 SG CYS A 30 -6.680 9.421 -1.504 1.00 0.00 S ATOM 0 H CYS A 30 -3.890 9.005 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.107 9.294 -5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.776 8.977 -3.586 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.640 7.708 -3.176 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.845 9.868 -1.141 1.00 0.00 H new ATOM 417 N GLU A 31 -6.670 11.635 -3.956 1.00 0.00 N ATOM 418 CA GLU A 31 -6.639 13.070 -3.698 1.00 0.00 C ATOM 419 C GLU A 31 -7.903 13.520 -2.972 1.00 0.00 C ATOM 420 O GLU A 31 -8.977 12.945 -3.157 1.00 0.00 O ATOM 421 CB GLU A 31 -6.488 13.844 -5.009 1.00 0.00 C ATOM 422 CG GLU A 31 -6.102 15.301 -4.816 1.00 0.00 C ATOM 423 CD GLU A 31 -5.570 15.937 -6.085 1.00 0.00 C ATOM 424 OE1 GLU A 31 -4.802 15.267 -6.808 1.00 0.00 O ATOM 425 OE2 GLU A 31 -5.921 17.104 -6.355 1.00 0.00 O ATOM 0 H GLU A 31 -7.587 11.273 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.780 13.279 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.733 13.355 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.427 13.796 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.971 15.860 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.346 15.372 -4.034 1.00 0.00 H new ATOM 432 N LEU A 32 -7.769 14.551 -2.145 1.00 0.00 N ATOM 433 CA LEU A 32 -8.900 15.079 -1.390 1.00 0.00 C ATOM 434 C LEU A 32 -9.139 16.548 -1.723 1.00 0.00 C ATOM 435 O LEU A 32 -8.221 17.260 -2.127 1.00 0.00 O ATOM 436 CB LEU A 32 -8.655 14.918 0.112 1.00 0.00 C ATOM 437 CG LEU A 32 -8.520 13.482 0.620 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.669 13.440 1.879 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.891 12.877 0.880 1.00 0.00 C ATOM 0 H LEU A 32 -6.888 15.038 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.788 14.513 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.746 15.461 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.476 15.396 0.647 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.024 12.890 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.584 12.410 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.676 13.833 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.136 14.047 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.775 11.855 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.414 13.470 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.468 12.872 -0.045 1.00 0.00 H new ATOM 451 N ASN A 33 -10.378 16.995 -1.549 1.00 0.00 N ATOM 452 CA ASN A 33 -10.738 18.380 -1.830 1.00 0.00 C ATOM 453 C ASN A 33 -10.136 19.320 -0.789 1.00 0.00 C ATOM 454 O ASN A 33 -10.000 20.520 -1.027 1.00 0.00 O ATOM 455 CB ASN A 33 -12.260 18.538 -1.857 1.00 0.00 C ATOM 456 CG ASN A 33 -12.704 19.924 -1.432 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.190 20.930 -1.921 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.665 19.983 -0.517 1.00 0.00 N ATOM 0 H ASN A 33 -11.150 16.418 -1.215 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.335 18.643 -2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.626 18.335 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.711 17.797 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.005 20.888 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.063 19.123 -0.139 1.00 0.00 H new ATOM 465 N SER A 34 -9.778 18.765 0.364 1.00 0.00 N ATOM 466 CA SER A 34 -9.194 19.554 1.443 1.00 0.00 C ATOM 467 C SER A 34 -8.298 18.689 2.325 1.00 0.00 C ATOM 468 O SER A 34 -8.562 17.504 2.523 1.00 0.00 O ATOM 469 CB SER A 34 -10.295 20.196 2.288 1.00 0.00 C ATOM 470 OG SER A 34 -9.759 21.158 3.180 1.00 0.00 O ATOM 0 H SER A 34 -9.882 17.773 0.575 1.00 0.00 H new ATOM 0 HA SER A 34 -8.585 20.340 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.029 20.670 1.636 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.820 19.426 2.852 1.00 0.00 H new ATOM 0 HG SER A 34 -10.484 21.555 3.707 1.00 0.00 H new ATOM 476 N ALA A 35 -7.238 19.292 2.852 1.00 0.00 N ATOM 477 CA ALA A 35 -6.304 18.579 3.714 1.00 0.00 C ATOM 478 C ALA A 35 -7.042 17.796 4.794 1.00 0.00 C ATOM 479 O ALA A 35 -7.702 18.377 5.654 1.00 0.00 O ATOM 480 CB ALA A 35 -5.320 19.553 4.346 1.00 0.00 C ATOM 0 H ALA A 35 -7.005 20.273 2.697 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.752 17.868 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.628 19.007 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.761 20.065 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.865 20.286 4.941 1.00 0.00 H new ATOM 486 N ALA A 36 -6.926 16.473 4.741 1.00 0.00 N ATOM 487 CA ALA A 36 -7.582 15.609 5.716 1.00 0.00 C ATOM 488 C ALA A 36 -6.988 14.205 5.692 1.00 0.00 C ATOM 489 O ALA A 36 -6.532 13.715 4.659 1.00 0.00 O ATOM 490 CB ALA A 36 -9.079 15.556 5.451 1.00 0.00 C ATOM 0 H ALA A 36 -6.384 15.976 4.034 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.415 16.029 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.556 14.908 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.498 16.560 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.258 15.163 4.450 1.00 0.00 H new ATOM 496 N PRO A 37 -6.993 13.540 6.857 1.00 0.00 N ATOM 497 CA PRO A 37 -6.458 12.182 6.996 1.00 0.00 C ATOM 498 C PRO A 37 -7.322 11.144 6.287 1.00 0.00 C ATOM 499 O PRO A 37 -8.381 11.466 5.750 1.00 0.00 O ATOM 500 CB PRO A 37 -6.473 11.948 8.508 1.00 0.00 C ATOM 501 CG PRO A 37 -7.540 12.853 9.021 1.00 0.00 C ATOM 502 CD PRO A 37 -7.522 14.062 8.129 1.00 0.00 C ATOM 0 HA PRO A 37 -5.470 12.085 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.690 10.906 8.745 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.507 12.182 8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.513 12.363 8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.351 13.130 10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.519 14.485 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.888 14.851 8.534 1.00 0.00 H new ATOM 510 N VAL A 38 -6.862 9.897 6.291 1.00 0.00 N ATOM 511 CA VAL A 38 -7.593 8.811 5.650 1.00 0.00 C ATOM 512 C VAL A 38 -7.312 7.479 6.335 1.00 0.00 C ATOM 513 O VAL A 38 -6.560 7.417 7.308 1.00 0.00 O ATOM 514 CB VAL A 38 -7.230 8.694 4.157 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.659 9.944 3.404 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.739 8.447 3.990 1.00 0.00 C ATOM 0 H VAL A 38 -5.986 9.614 6.731 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.653 9.047 5.742 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.766 7.843 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.395 9.843 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.737 10.072 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.153 10.813 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.500 8.367 2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.182 9.276 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.465 7.521 4.495 1.00 0.00 H new ATOM 526 N GLU A 39 -7.919 6.414 5.821 1.00 0.00 N ATOM 527 CA GLU A 39 -7.733 5.082 6.385 1.00 0.00 C ATOM 528 C GLU A 39 -8.038 4.005 5.348 1.00 0.00 C ATOM 529 O GLU A 39 -9.198 3.754 5.021 1.00 0.00 O ATOM 530 CB GLU A 39 -8.630 4.894 7.610 1.00 0.00 C ATOM 531 CG GLU A 39 -8.323 3.632 8.400 1.00 0.00 C ATOM 532 CD GLU A 39 -8.660 3.769 9.872 1.00 0.00 C ATOM 533 OE1 GLU A 39 -7.816 4.297 10.627 1.00 0.00 O ATOM 534 OE2 GLU A 39 -9.766 3.349 10.270 1.00 0.00 O ATOM 0 H GLU A 39 -8.544 6.448 5.015 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.690 4.985 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.522 5.758 8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.671 4.867 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.885 2.798 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.266 3.390 8.294 1.00 0.00 H new ATOM 541 N TRP A 40 -6.989 3.373 4.835 1.00 0.00 N ATOM 542 CA TRP A 40 -7.143 2.323 3.834 1.00 0.00 C ATOM 543 C TRP A 40 -7.658 1.036 4.470 1.00 0.00 C ATOM 544 O TRP A 40 -7.133 0.582 5.487 1.00 0.00 O ATOM 545 CB TRP A 40 -5.811 2.061 3.130 1.00 0.00 C ATOM 546 CG TRP A 40 -5.256 3.270 2.440 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.500 4.259 3.000 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.416 3.617 1.060 1.00 0.00 C ATOM 549 NE1 TRP A 40 -4.180 5.201 2.052 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.729 4.830 0.854 1.00 0.00 C ATOM 551 CE3 TRP A 40 -6.070 3.021 -0.022 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.681 5.455 -0.389 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -6.022 3.644 -1.254 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.330 4.850 -1.431 1.00 0.00 C ATOM 0 H TRP A 40 -6.022 3.569 5.095 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.874 2.661 3.099 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.086 1.704 3.861 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.945 1.264 2.399 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.198 4.296 4.036 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.624 6.040 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.603 2.090 0.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.150 6.385 -0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.527 3.194 -2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.309 5.310 -2.408 1.00 0.00 H new ATOM 565 N ARG A 41 -8.688 0.454 3.866 1.00 0.00 N ATOM 566 CA ARG A 41 -9.274 -0.781 4.375 1.00 0.00 C ATOM 567 C ARG A 41 -9.117 -1.914 3.365 1.00 0.00 C ATOM 568 O ARG A 41 -8.576 -1.720 2.276 1.00 0.00 O ATOM 569 CB ARG A 41 -10.755 -0.572 4.697 1.00 0.00 C ATOM 570 CG ARG A 41 -11.017 0.603 5.624 1.00 0.00 C ATOM 571 CD ARG A 41 -12.499 0.936 5.698 1.00 0.00 C ATOM 572 NE ARG A 41 -12.847 1.612 6.945 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.122 0.972 8.076 1.00 0.00 C ATOM 574 NH1 ARG A 41 -13.088 -0.353 8.117 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.430 1.657 9.169 1.00 0.00 N ATOM 0 H ARG A 41 -9.134 0.817 3.024 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.745 -1.056 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.302 -0.419 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.150 -1.479 5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.645 0.370 6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.464 1.475 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.771 1.570 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.081 0.019 5.608 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.881 2.631 6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.850 -0.883 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.300 -0.842 8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.456 2.676 9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.641 1.165 10.037 1.00 0.00 H new ATOM 589 N LYS A 42 -9.594 -3.098 3.733 1.00 0.00 N ATOM 590 CA LYS A 42 -9.508 -4.263 2.861 1.00 0.00 C ATOM 591 C LYS A 42 -10.575 -5.292 3.221 1.00 0.00 C ATOM 592 O LYS A 42 -10.458 -5.997 4.223 1.00 0.00 O ATOM 593 CB LYS A 42 -8.119 -4.897 2.958 1.00 0.00 C ATOM 594 CG LYS A 42 -8.050 -6.302 2.384 1.00 0.00 C ATOM 595 CD LYS A 42 -6.679 -6.600 1.800 1.00 0.00 C ATOM 596 CE LYS A 42 -6.745 -7.706 0.758 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.226 -7.200 -0.557 1.00 0.00 N ATOM 0 H LYS A 42 -10.045 -3.276 4.631 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.679 -3.932 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.403 -4.264 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.814 -4.926 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.279 -7.027 3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.809 -6.417 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.271 -5.696 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.998 -6.892 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.757 -8.150 0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.409 -8.496 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.961 -7.871 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.261 -7.100 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.793 -6.275 -0.752 1.00 0.00 H new ATOM 611 N GLY A 43 -11.614 -5.375 2.396 1.00 0.00 N ATOM 612 CA GLY A 43 -12.685 -6.322 2.644 1.00 0.00 C ATOM 613 C GLY A 43 -13.189 -6.266 4.073 1.00 0.00 C ATOM 614 O GLY A 43 -13.100 -7.249 4.808 1.00 0.00 O ATOM 0 H GLY A 43 -11.733 -4.803 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.511 -6.118 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.332 -7.330 2.426 1.00 0.00 H new ATOM 618 N SER A 44 -13.717 -5.112 4.468 1.00 0.00 N ATOM 619 CA SER A 44 -14.231 -4.930 5.820 1.00 0.00 C ATOM 620 C SER A 44 -13.114 -5.071 6.850 1.00 0.00 C ATOM 621 O SER A 44 -13.259 -5.783 7.844 1.00 0.00 O ATOM 622 CB SER A 44 -15.338 -5.946 6.109 1.00 0.00 C ATOM 623 OG SER A 44 -16.469 -5.715 5.287 1.00 0.00 O ATOM 0 H SER A 44 -13.800 -4.289 3.871 1.00 0.00 H new ATOM 0 HA SER A 44 -14.643 -3.924 5.893 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.962 -6.955 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.628 -5.884 7.158 1.00 0.00 H new ATOM 0 HG SER A 44 -17.162 -6.378 5.490 1.00 0.00 H new ATOM 629 N GLU A 45 -12.001 -4.387 6.604 1.00 0.00 N ATOM 630 CA GLU A 45 -10.859 -4.437 7.509 1.00 0.00 C ATOM 631 C GLU A 45 -10.028 -3.161 7.408 1.00 0.00 C ATOM 632 O GLU A 45 -9.717 -2.694 6.312 1.00 0.00 O ATOM 633 CB GLU A 45 -9.985 -5.654 7.197 1.00 0.00 C ATOM 634 CG GLU A 45 -8.845 -5.354 6.238 1.00 0.00 C ATOM 635 CD GLU A 45 -8.279 -6.605 5.595 1.00 0.00 C ATOM 636 OE1 GLU A 45 -9.053 -7.559 5.370 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.062 -6.630 5.317 1.00 0.00 O ATOM 0 H GLU A 45 -11.866 -3.792 5.786 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.239 -4.523 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.573 -6.043 8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.609 -6.440 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.199 -4.678 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.051 -4.835 6.775 1.00 0.00 H new ATOM 644 N THR A 46 -9.673 -2.600 8.560 1.00 0.00 N ATOM 645 CA THR A 46 -8.880 -1.378 8.602 1.00 0.00 C ATOM 646 C THR A 46 -7.388 -1.690 8.606 1.00 0.00 C ATOM 647 O THR A 46 -6.915 -2.498 9.405 1.00 0.00 O ATOM 648 CB THR A 46 -9.220 -0.531 9.843 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.543 0.003 9.725 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.222 0.605 10.013 1.00 0.00 C ATOM 0 H THR A 46 -9.922 -2.973 9.476 1.00 0.00 H new ATOM 0 HA THR A 46 -9.126 -0.810 7.705 1.00 0.00 H new ATOM 0 HB THR A 46 -9.166 -1.175 10.721 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.752 0.539 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.483 1.189 10.896 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.220 0.194 10.133 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.248 1.247 9.132 1.00 0.00 H new ATOM 658 N LEU A 47 -6.652 -1.044 7.709 1.00 0.00 N ATOM 659 CA LEU A 47 -5.211 -1.252 7.609 1.00 0.00 C ATOM 660 C LEU A 47 -4.449 -0.121 8.293 1.00 0.00 C ATOM 661 O LEU A 47 -4.995 0.959 8.522 1.00 0.00 O ATOM 662 CB LEU A 47 -4.791 -1.351 6.142 1.00 0.00 C ATOM 663 CG LEU A 47 -5.698 -2.187 5.239 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.304 -2.015 3.780 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.644 -3.654 5.639 1.00 0.00 C ATOM 0 H LEU A 47 -7.029 -0.372 7.040 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.968 -2.187 8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.734 -0.343 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.785 -1.769 6.100 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.723 -1.836 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.961 -2.618 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.396 -0.966 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.272 -2.338 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.296 -4.234 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.621 -4.019 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.977 -3.762 6.671 1.00 0.00 H new ATOM 677 N ARG A 48 -3.185 -0.375 8.613 1.00 0.00 N ATOM 678 CA ARG A 48 -2.347 0.622 9.269 1.00 0.00 C ATOM 679 C ARG A 48 -0.926 0.587 8.716 1.00 0.00 C ATOM 680 O ARG A 48 -0.448 -0.456 8.270 1.00 0.00 O ATOM 681 CB ARG A 48 -2.324 0.385 10.780 1.00 0.00 C ATOM 682 CG ARG A 48 -3.625 -0.178 11.329 1.00 0.00 C ATOM 683 CD ARG A 48 -3.871 0.279 12.758 1.00 0.00 C ATOM 684 NE ARG A 48 -4.776 -0.618 13.472 1.00 0.00 N ATOM 685 CZ ARG A 48 -5.509 -0.245 14.515 1.00 0.00 C ATOM 686 NH1 ARG A 48 -5.445 1.001 14.963 1.00 0.00 N ATOM 687 NH2 ARG A 48 -6.309 -1.119 15.111 1.00 0.00 N ATOM 0 H ARG A 48 -2.718 -1.263 8.429 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.772 1.606 9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.512 -0.301 11.019 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.104 1.327 11.283 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.455 0.138 10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.595 -1.267 11.294 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.921 0.334 13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.290 1.285 12.750 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.849 -1.584 13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.832 1.676 14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.009 1.285 15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.362 -2.078 14.768 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.872 -0.832 15.912 1.00 0.00 H new ATOM 701 N ASP A 49 -0.256 1.734 8.748 1.00 0.00 N ATOM 702 CA ASP A 49 1.111 1.835 8.250 1.00 0.00 C ATOM 703 C ASP A 49 2.080 1.098 9.170 1.00 0.00 C ATOM 704 O ASP A 49 1.956 1.155 10.393 1.00 0.00 O ATOM 705 CB ASP A 49 1.524 3.302 8.124 1.00 0.00 C ATOM 706 CG ASP A 49 2.022 3.878 9.435 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.184 4.340 10.238 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.250 3.866 9.659 1.00 0.00 O ATOM 0 H ASP A 49 -0.637 2.607 9.113 1.00 0.00 H new ATOM 0 HA ASP A 49 1.148 1.370 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.306 3.393 7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.674 3.887 7.773 1.00 0.00 H new ATOM 713 N GLY A 50 3.045 0.406 8.572 1.00 0.00 N ATOM 714 CA GLY A 50 4.020 -0.333 9.353 1.00 0.00 C ATOM 715 C GLY A 50 5.154 -0.872 8.503 1.00 0.00 C ATOM 716 O GLY A 50 5.779 -0.129 7.746 1.00 0.00 O ATOM 0 H GLY A 50 3.169 0.344 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.428 0.316 10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.524 -1.161 9.859 1.00 0.00 H new ATOM 720 N ASP A 51 5.422 -2.167 8.630 1.00 0.00 N ATOM 721 CA ASP A 51 6.490 -2.805 7.868 1.00 0.00 C ATOM 722 C ASP A 51 6.051 -3.063 6.430 1.00 0.00 C ATOM 723 O ASP A 51 6.542 -2.426 5.497 1.00 0.00 O ATOM 724 CB ASP A 51 6.904 -4.119 8.531 1.00 0.00 C ATOM 725 CG ASP A 51 8.024 -3.933 9.536 1.00 0.00 C ATOM 726 OD1 ASP A 51 7.804 -3.235 10.547 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.122 -4.484 9.309 1.00 0.00 O ATOM 0 H ASP A 51 4.915 -2.796 9.253 1.00 0.00 H new ATOM 0 HA ASP A 51 7.346 -2.130 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.041 -4.558 9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.222 -4.825 7.764 1.00 0.00 H new ATOM 732 N ARG A 52 5.126 -4.000 6.258 1.00 0.00 N ATOM 733 CA ARG A 52 4.623 -4.344 4.933 1.00 0.00 C ATOM 734 C ARG A 52 3.765 -3.216 4.368 1.00 0.00 C ATOM 735 O ARG A 52 3.778 -2.956 3.164 1.00 0.00 O ATOM 736 CB ARG A 52 3.809 -5.638 4.993 1.00 0.00 C ATOM 737 CG ARG A 52 4.640 -6.891 4.770 1.00 0.00 C ATOM 738 CD ARG A 52 3.760 -8.103 4.507 1.00 0.00 C ATOM 739 NE ARG A 52 3.407 -8.801 5.741 1.00 0.00 N ATOM 740 CZ ARG A 52 4.179 -9.717 6.314 1.00 0.00 C ATOM 741 NH1 ARG A 52 5.342 -10.045 5.767 1.00 0.00 N ATOM 742 NH2 ARG A 52 3.789 -10.308 7.436 1.00 0.00 N ATOM 0 H ARG A 52 4.709 -4.535 7.019 1.00 0.00 H new ATOM 0 HA ARG A 52 5.479 -4.492 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.320 -5.705 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.021 -5.597 4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.312 -6.738 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.264 -7.076 5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.850 -7.787 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.279 -8.789 3.838 1.00 0.00 H new ATOM 0 HE ARG A 52 2.519 -8.572 6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.645 -9.593 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.933 -10.749 6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.895 -10.059 7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.383 -11.011 7.875 1.00 0.00 H new ATOM 756 N TYR A 53 3.020 -2.551 5.243 1.00 0.00 N ATOM 757 CA TYR A 53 2.153 -1.453 4.831 1.00 0.00 C ATOM 758 C TYR A 53 2.866 -0.112 4.977 1.00 0.00 C ATOM 759 O TYR A 53 3.729 0.054 5.839 1.00 0.00 O ATOM 760 CB TYR A 53 0.867 -1.453 5.659 1.00 0.00 C ATOM 761 CG TYR A 53 -0.028 -2.642 5.389 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.851 -2.676 4.270 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.051 -3.729 6.253 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.670 -3.760 4.019 1.00 0.00 C ATOM 765 CE2 TYR A 53 -0.867 -4.817 6.010 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.674 -4.828 4.892 1.00 0.00 C ATOM 767 OH TYR A 53 -2.489 -5.910 4.646 1.00 0.00 O ATOM 0 H TYR A 53 2.999 -2.753 6.243 1.00 0.00 H new ATOM 0 HA TYR A 53 1.901 -1.597 3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.127 -1.437 6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.312 -0.537 5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.850 -1.841 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.580 -3.724 7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.303 -3.771 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.873 -5.654 6.692 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.372 -6.576 5.355 1.00 0.00 H new ATOM 777 N SER A 54 2.497 0.842 4.128 1.00 0.00 N ATOM 778 CA SER A 54 3.102 2.168 4.159 1.00 0.00 C ATOM 779 C SER A 54 2.103 3.231 3.713 1.00 0.00 C ATOM 780 O SER A 54 1.740 3.305 2.538 1.00 0.00 O ATOM 781 CB SER A 54 4.341 2.207 3.263 1.00 0.00 C ATOM 782 OG SER A 54 5.014 0.960 3.268 1.00 0.00 O ATOM 0 H SER A 54 1.782 0.721 3.411 1.00 0.00 H new ATOM 0 HA SER A 54 3.399 2.382 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.049 2.462 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.017 2.990 3.606 1.00 0.00 H new ATOM 0 HG SER A 54 5.801 1.011 2.687 1.00 0.00 H new ATOM 788 N LEU A 55 1.662 4.054 4.658 1.00 0.00 N ATOM 789 CA LEU A 55 0.705 5.115 4.364 1.00 0.00 C ATOM 790 C LEU A 55 1.387 6.479 4.363 1.00 0.00 C ATOM 791 O LEU A 55 1.752 7.002 5.415 1.00 0.00 O ATOM 792 CB LEU A 55 -0.432 5.101 5.388 1.00 0.00 C ATOM 793 CG LEU A 55 -1.383 3.906 5.318 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.677 2.635 5.764 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.619 4.158 6.169 1.00 0.00 C ATOM 0 H LEU A 55 1.952 4.007 5.635 1.00 0.00 H new ATOM 0 HA LEU A 55 0.294 4.935 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.004 5.135 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.016 6.013 5.265 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.699 3.777 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.370 1.795 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.177 2.446 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.332 2.752 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.285 3.297 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.321 4.313 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.137 5.045 5.804 1.00 0.00 H new ATOM 807 N ARG A 56 1.554 7.050 3.174 1.00 0.00 N ATOM 808 CA ARG A 56 2.191 8.354 3.036 1.00 0.00 C ATOM 809 C ARG A 56 1.215 9.378 2.464 1.00 0.00 C ATOM 810 O ARG A 56 0.549 9.122 1.462 1.00 0.00 O ATOM 811 CB ARG A 56 3.424 8.250 2.136 1.00 0.00 C ATOM 812 CG ARG A 56 4.623 7.609 2.816 1.00 0.00 C ATOM 813 CD ARG A 56 5.740 7.325 1.824 1.00 0.00 C ATOM 814 NE ARG A 56 6.593 8.491 1.611 1.00 0.00 N ATOM 815 CZ ARG A 56 7.852 8.414 1.195 1.00 0.00 C ATOM 816 NH1 ARG A 56 8.401 7.233 0.949 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.564 9.521 1.024 1.00 0.00 N ATOM 0 H ARG A 56 1.257 6.630 2.293 1.00 0.00 H new ATOM 0 HA ARG A 56 2.500 8.687 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.168 7.671 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.700 9.248 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.992 8.268 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.317 6.680 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.345 6.495 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.309 7.013 0.873 1.00 0.00 H new ATOM 0 HE ARG A 56 6.201 9.415 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.856 6.380 1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.368 7.177 0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.144 10.431 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.531 9.461 0.705 1.00 0.00 H new ATOM 831 N GLN A 57 1.137 10.538 3.109 1.00 0.00 N ATOM 832 CA GLN A 57 0.242 11.599 2.665 1.00 0.00 C ATOM 833 C GLN A 57 0.996 12.915 2.502 1.00 0.00 C ATOM 834 O GLN A 57 1.957 13.185 3.224 1.00 0.00 O ATOM 835 CB GLN A 57 -0.906 11.776 3.660 1.00 0.00 C ATOM 836 CG GLN A 57 -1.905 12.848 3.253 1.00 0.00 C ATOM 837 CD GLN A 57 -2.742 13.339 4.417 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.220 13.907 5.376 1.00 0.00 O ATOM 839 NE2 GLN A 57 -4.050 13.121 4.340 1.00 0.00 N ATOM 0 H GLN A 57 1.683 10.766 3.940 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.167 11.313 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.430 10.826 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.493 12.028 4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.370 13.690 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.563 12.451 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.441 12.646 3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.664 13.428 5.095 1.00 0.00 H new ATOM 848 N ASP A 58 0.556 13.729 1.550 1.00 0.00 N ATOM 849 CA ASP A 58 1.189 15.017 1.292 1.00 0.00 C ATOM 850 C ASP A 58 0.143 16.119 1.153 1.00 0.00 C ATOM 851 O ASP A 58 -0.184 16.543 0.045 1.00 0.00 O ATOM 852 CB ASP A 58 2.043 14.945 0.025 1.00 0.00 C ATOM 853 CG ASP A 58 3.085 16.045 -0.034 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.968 16.073 0.849 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.018 16.876 -0.963 1.00 0.00 O ATOM 0 H ASP A 58 -0.237 13.520 0.944 1.00 0.00 H new ATOM 0 HA ASP A 58 1.831 15.255 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.539 13.976 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.396 15.014 -0.850 1.00 0.00 H new ATOM 860 N GLY A 59 -0.381 16.578 2.286 1.00 0.00 N ATOM 861 CA GLY A 59 -1.386 17.625 2.269 1.00 0.00 C ATOM 862 C GLY A 59 -2.775 17.090 1.982 1.00 0.00 C ATOM 863 O GLY A 59 -3.545 16.814 2.903 1.00 0.00 O ATOM 0 H GLY A 59 -0.127 16.243 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.389 18.137 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.122 18.366 1.514 1.00 0.00 H new ATOM 867 N THR A 60 -3.099 16.946 0.701 1.00 0.00 N ATOM 868 CA THR A 60 -4.406 16.444 0.295 1.00 0.00 C ATOM 869 C THR A 60 -4.285 15.092 -0.399 1.00 0.00 C ATOM 870 O THR A 60 -5.246 14.326 -0.460 1.00 0.00 O ATOM 871 CB THR A 60 -5.118 17.431 -0.649 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.212 17.880 -1.663 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.655 18.627 0.123 1.00 0.00 C ATOM 0 H THR A 60 -2.474 17.170 -0.073 1.00 0.00 H new ATOM 0 HA THR A 60 -4.997 16.331 1.204 1.00 0.00 H new ATOM 0 HB THR A 60 -5.956 16.913 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.673 18.506 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.154 19.310 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.367 18.285 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.830 19.144 0.613 1.00 0.00 H new ATOM 881 N LYS A 61 -3.097 14.804 -0.920 1.00 0.00 N ATOM 882 CA LYS A 61 -2.848 13.544 -1.608 1.00 0.00 C ATOM 883 C LYS A 61 -2.428 12.459 -0.622 1.00 0.00 C ATOM 884 O LYS A 61 -1.751 12.736 0.369 1.00 0.00 O ATOM 885 CB LYS A 61 -1.765 13.726 -2.674 1.00 0.00 C ATOM 886 CG LYS A 61 -2.178 14.646 -3.810 1.00 0.00 C ATOM 887 CD LYS A 61 -0.984 15.063 -4.652 1.00 0.00 C ATOM 888 CE LYS A 61 -0.347 16.338 -4.123 1.00 0.00 C ATOM 889 NZ LYS A 61 0.717 16.053 -3.121 1.00 0.00 N ATOM 0 H LYS A 61 -2.291 15.428 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.775 13.233 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.867 14.125 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.503 12.751 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.910 14.141 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.665 15.532 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.245 14.262 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.300 15.214 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.078 16.903 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.114 16.966 -3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.407 16.379 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.898 15.029 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.590 16.551 -3.390 1.00 0.00 H new ATOM 903 N CYS A 62 -2.832 11.224 -0.900 1.00 0.00 N ATOM 904 CA CYS A 62 -2.496 10.097 -0.037 1.00 0.00 C ATOM 905 C CYS A 62 -1.797 8.996 -0.827 1.00 0.00 C ATOM 906 O CYS A 62 -1.750 9.036 -2.056 1.00 0.00 O ATOM 907 CB CYS A 62 -3.758 9.543 0.626 1.00 0.00 C ATOM 908 SG CYS A 62 -4.681 10.761 1.592 1.00 0.00 S ATOM 0 H CYS A 62 -3.392 10.978 -1.716 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.814 10.453 0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.412 9.136 -0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.479 8.714 1.277 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.847 10.951 1.050 1.00 0.00 H new ATOM 914 N GLU A 63 -1.253 8.016 -0.113 1.00 0.00 N ATOM 915 CA GLU A 63 -0.554 6.906 -0.749 1.00 0.00 C ATOM 916 C GLU A 63 -0.455 5.712 0.197 1.00 0.00 C ATOM 917 O GLU A 63 -0.047 5.851 1.351 1.00 0.00 O ATOM 918 CB GLU A 63 0.846 7.340 -1.187 1.00 0.00 C ATOM 919 CG GLU A 63 1.645 6.234 -1.856 1.00 0.00 C ATOM 920 CD GLU A 63 2.945 6.734 -2.456 1.00 0.00 C ATOM 921 OE1 GLU A 63 2.903 7.717 -3.225 1.00 0.00 O ATOM 922 OE2 GLU A 63 4.003 6.143 -2.156 1.00 0.00 O ATOM 0 H GLU A 63 -1.283 7.968 0.905 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.125 6.606 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.758 8.180 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.395 7.698 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.862 5.455 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.040 5.777 -2.639 1.00 0.00 H new ATOM 929 N LEU A 64 -0.832 4.539 -0.300 1.00 0.00 N ATOM 930 CA LEU A 64 -0.787 3.319 0.500 1.00 0.00 C ATOM 931 C LEU A 64 -0.115 2.187 -0.271 1.00 0.00 C ATOM 932 O LEU A 64 -0.606 1.760 -1.316 1.00 0.00 O ATOM 933 CB LEU A 64 -2.200 2.903 0.912 1.00 0.00 C ATOM 934 CG LEU A 64 -2.319 1.568 1.646 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.528 0.431 0.657 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.084 1.315 2.498 1.00 0.00 C ATOM 0 H LEU A 64 -1.172 4.406 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.200 3.522 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.616 3.683 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.820 2.859 0.016 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.187 1.614 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.610 -0.512 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.443 0.605 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.681 0.384 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.187 0.360 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.201 1.290 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.979 2.114 3.232 1.00 0.00 H new ATOM 948 N GLN A 65 1.007 1.706 0.253 1.00 0.00 N ATOM 949 CA GLN A 65 1.744 0.622 -0.386 1.00 0.00 C ATOM 950 C GLN A 65 1.567 -0.684 0.382 1.00 0.00 C ATOM 951 O GLN A 65 1.434 -0.682 1.606 1.00 0.00 O ATOM 952 CB GLN A 65 3.230 0.974 -0.480 1.00 0.00 C ATOM 953 CG GLN A 65 3.603 1.697 -1.764 1.00 0.00 C ATOM 954 CD GLN A 65 5.103 1.774 -1.976 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.696 0.910 -2.621 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.724 2.814 -1.431 1.00 0.00 N ATOM 0 H GLN A 65 1.426 2.049 1.118 1.00 0.00 H new ATOM 0 HA GLN A 65 1.345 0.488 -1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.502 1.599 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.817 0.059 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.146 1.185 -2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.191 2.706 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.192 3.507 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.733 2.920 -1.539 1.00 0.00 H new ATOM 965 N ILE A 66 1.565 -1.796 -0.345 1.00 0.00 N ATOM 966 CA ILE A 66 1.405 -3.109 0.269 1.00 0.00 C ATOM 967 C ILE A 66 2.524 -4.054 -0.154 1.00 0.00 C ATOM 968 O ILE A 66 2.477 -4.644 -1.234 1.00 0.00 O ATOM 969 CB ILE A 66 0.049 -3.740 -0.099 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.097 -2.805 0.295 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.107 -5.092 0.580 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.332 -2.968 -0.563 1.00 0.00 C ATOM 0 H ILE A 66 1.672 -1.814 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 66 1.447 -2.960 1.348 1.00 0.00 H new ATOM 0 HB ILE A 66 0.016 -3.891 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.362 -2.987 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.752 -1.773 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.070 -5.526 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.694 -5.757 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.057 -4.964 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.103 -2.274 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.083 -2.757 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.702 -3.990 -0.478 1.00 0.00 H new ATOM 984 N ARG A 67 3.529 -4.193 0.704 1.00 0.00 N ATOM 985 CA ARG A 67 4.660 -5.068 0.419 1.00 0.00 C ATOM 986 C ARG A 67 4.298 -6.527 0.678 1.00 0.00 C ATOM 987 O ARG A 67 3.736 -6.863 1.720 1.00 0.00 O ATOM 988 CB ARG A 67 5.866 -4.671 1.273 1.00 0.00 C ATOM 989 CG ARG A 67 6.579 -3.423 0.778 1.00 0.00 C ATOM 990 CD ARG A 67 7.723 -3.032 1.701 1.00 0.00 C ATOM 991 NE ARG A 67 8.955 -3.746 1.378 1.00 0.00 N ATOM 992 CZ ARG A 67 9.795 -3.366 0.421 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.536 -2.286 -0.302 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.897 -4.068 0.187 1.00 0.00 N ATOM 0 H ARG A 67 3.583 -3.711 1.602 1.00 0.00 H new ATOM 0 HA ARG A 67 4.917 -4.957 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.536 -4.508 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.574 -5.499 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.964 -3.597 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.868 -2.600 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.897 -1.958 1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.443 -3.241 2.734 1.00 0.00 H new ATOM 0 HE ARG A 67 9.183 -4.582 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.690 -1.744 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.182 -1.997 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.099 -4.900 0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.541 -3.776 -0.548 1.00 0.00 H new ATOM 1008 N GLY A 68 4.625 -7.391 -0.278 1.00 0.00 N ATOM 1009 CA GLY A 68 4.326 -8.804 -0.135 1.00 0.00 C ATOM 1010 C GLY A 68 3.041 -9.199 -0.835 1.00 0.00 C ATOM 1011 O GLY A 68 2.199 -9.892 -0.261 1.00 0.00 O ATOM 0 H GLY A 68 5.092 -7.138 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.151 -9.390 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.250 -9.051 0.924 1.00 0.00 H new ATOM 1015 N LEU A 69 2.887 -8.756 -2.078 1.00 0.00 N ATOM 1016 CA LEU A 69 1.693 -9.066 -2.858 1.00 0.00 C ATOM 1017 C LEU A 69 1.617 -10.558 -3.167 1.00 0.00 C ATOM 1018 O LEU A 69 2.591 -11.159 -3.618 1.00 0.00 O ATOM 1019 CB LEU A 69 1.689 -8.263 -4.161 1.00 0.00 C ATOM 1020 CG LEU A 69 1.319 -6.785 -4.036 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.611 -6.050 -5.335 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.146 -6.632 -3.653 1.00 0.00 C ATOM 0 H LEU A 69 3.573 -8.181 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 69 0.820 -8.791 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.680 -8.332 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.991 -8.735 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 69 1.928 -6.344 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.341 -4.999 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.673 -6.130 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.028 -6.493 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.391 -5.573 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.772 -7.090 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.325 -7.123 -2.697 1.00 0.00 H new ATOM 1034 N ALA A 70 0.452 -11.148 -2.922 1.00 0.00 N ATOM 1035 CA ALA A 70 0.246 -12.569 -3.178 1.00 0.00 C ATOM 1036 C ALA A 70 -1.205 -12.856 -3.546 1.00 0.00 C ATOM 1037 O ALA A 70 -2.073 -11.995 -3.406 1.00 0.00 O ATOM 1038 CB ALA A 70 0.657 -13.388 -1.964 1.00 0.00 C ATOM 0 H ALA A 70 -0.364 -10.664 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 70 0.871 -12.855 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.498 -14.447 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.711 -13.214 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.057 -13.091 -1.104 1.00 0.00 H new ATOM 1044 N MET A 71 -1.462 -14.071 -4.019 1.00 0.00 N ATOM 1045 CA MET A 71 -2.809 -14.472 -4.407 1.00 0.00 C ATOM 1046 C MET A 71 -3.815 -14.128 -3.312 1.00 0.00 C ATOM 1047 O MET A 71 -4.975 -13.831 -3.593 1.00 0.00 O ATOM 1048 CB MET A 71 -2.854 -15.972 -4.703 1.00 0.00 C ATOM 1049 CG MET A 71 -2.178 -16.353 -6.011 1.00 0.00 C ATOM 1050 SD MET A 71 -3.313 -16.326 -7.412 1.00 0.00 S ATOM 1051 CE MET A 71 -2.896 -14.750 -8.154 1.00 0.00 C ATOM 0 H MET A 71 -0.755 -14.795 -4.143 1.00 0.00 H new ATOM 0 HA MET A 71 -3.078 -13.923 -5.310 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.375 -16.510 -3.885 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.894 -16.297 -4.732 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.353 -15.666 -6.203 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.747 -17.350 -5.916 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.231 -14.736 -9.191 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.387 -13.947 -7.604 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.816 -14.606 -8.119 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.361 -14.171 -2.063 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.221 -13.863 -0.928 1.00 0.00 C ATOM 1063 C ALA A 72 -4.500 -12.366 -0.841 1.00 0.00 C ATOM 1064 O ALA A 72 -5.638 -11.949 -0.622 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.588 -14.359 0.364 1.00 0.00 C ATOM 0 H ALA A 72 -2.403 -14.416 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.172 -14.376 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.241 -14.122 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.445 -15.438 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.623 -13.872 0.507 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.456 -11.563 -1.012 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.589 -10.112 -0.954 1.00 0.00 C ATOM 1073 C ASP A 73 -4.679 -9.628 -1.905 1.00 0.00 C ATOM 1074 O ASP A 73 -5.361 -8.639 -1.633 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.258 -9.442 -1.300 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.096 -10.026 -0.521 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -0.979 -11.268 -0.473 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.304 -9.241 0.042 1.00 0.00 O ATOM 0 H ASP A 73 -2.508 -11.892 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.871 -9.838 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.067 -9.550 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.328 -8.374 -1.095 1.00 0.00 H new ATOM 1083 N THR A 74 -4.838 -10.330 -3.022 1.00 0.00 N ATOM 1084 CA THR A 74 -5.843 -9.971 -4.014 1.00 0.00 C ATOM 1085 C THR A 74 -7.213 -9.792 -3.370 1.00 0.00 C ATOM 1086 O THR A 74 -7.808 -10.750 -2.878 1.00 0.00 O ATOM 1087 CB THR A 74 -5.945 -11.037 -5.122 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.649 -11.296 -5.673 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.889 -10.582 -6.225 1.00 0.00 C ATOM 0 H THR A 74 -4.283 -11.151 -3.262 1.00 0.00 H new ATOM 0 HA THR A 74 -5.526 -9.026 -4.456 1.00 0.00 H new ATOM 0 HB THR A 74 -6.341 -11.952 -4.681 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.722 -11.976 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.945 -11.351 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.882 -10.414 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.517 -9.655 -6.663 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.709 -8.558 -3.377 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.006 -8.277 -2.790 1.00 0.00 C ATOM 1099 C GLY A 75 -9.546 -6.921 -3.200 1.00 0.00 C ATOM 1100 O GLY A 75 -9.506 -6.561 -4.376 1.00 0.00 O ATOM 0 H GLY A 75 -7.236 -7.749 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.712 -9.052 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.927 -8.320 -1.704 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.053 -6.169 -2.229 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.606 -4.847 -2.497 1.00 0.00 C ATOM 1106 C GLU A 76 -10.249 -3.871 -1.379 1.00 0.00 C ATOM 1107 O GLU A 76 -10.599 -4.086 -0.218 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.126 -4.927 -2.654 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.800 -3.569 -2.753 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.310 -3.672 -2.838 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.941 -4.001 -1.813 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.861 -3.423 -3.932 1.00 0.00 O ATOM 0 H GLU A 76 -10.092 -6.452 -1.250 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.171 -4.481 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.361 -5.506 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.542 -5.469 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.529 -2.969 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.425 -3.045 -3.632 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.551 -2.799 -1.737 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.145 -1.792 -0.764 1.00 0.00 C ATOM 1121 C TYR A 77 -10.015 -0.544 -0.876 1.00 0.00 C ATOM 1122 O TYR A 77 -10.515 -0.216 -1.952 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.675 -1.422 -0.967 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.731 -2.597 -0.842 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.574 -3.500 -1.885 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.998 -2.804 0.320 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.714 -4.576 -1.775 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.134 -3.875 0.438 1.00 0.00 C ATOM 1129 CZ TYR A 77 -4.996 -4.759 -0.612 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.138 -5.828 -0.498 1.00 0.00 O ATOM 0 H TYR A 77 -9.255 -2.605 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.273 -2.214 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.555 -0.974 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.396 -0.663 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.134 -3.359 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.106 -2.116 1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.605 -5.270 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.570 -4.020 1.347 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.569 -6.633 -0.855 1.00 0.00 H new ATOM 1140 N SER A 78 -10.192 0.148 0.245 1.00 0.00 N ATOM 1141 CA SER A 78 -11.004 1.359 0.276 1.00 0.00 C ATOM 1142 C SER A 78 -10.358 2.425 1.156 1.00 0.00 C ATOM 1143 O SER A 78 -10.046 2.177 2.321 1.00 0.00 O ATOM 1144 CB SER A 78 -12.411 1.042 0.788 1.00 0.00 C ATOM 1145 OG SER A 78 -12.870 -0.200 0.282 1.00 0.00 O ATOM 0 H SER A 78 -9.784 -0.109 1.144 1.00 0.00 H new ATOM 0 HA SER A 78 -11.073 1.746 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.407 1.015 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.097 1.835 0.491 1.00 0.00 H new ATOM 0 HG SER A 78 -13.770 -0.380 0.625 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.161 3.610 0.590 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.552 4.715 1.322 1.00 0.00 C ATOM 1153 C CYS A 79 -10.619 5.619 1.930 1.00 0.00 C ATOM 1154 O CYS A 79 -11.201 6.458 1.243 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.644 5.527 0.398 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.381 6.490 1.263 1.00 0.00 S ATOM 0 H CYS A 79 -10.414 3.831 -0.373 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.954 4.296 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.153 4.848 -0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.259 6.204 -0.195 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.201 6.079 0.905 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.872 5.441 3.223 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.870 6.240 3.923 1.00 0.00 C ATOM 1164 C VAL A 80 -11.258 7.521 4.478 1.00 0.00 C ATOM 1165 O VAL A 80 -10.096 7.539 4.888 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.513 5.449 5.078 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -13.877 6.025 5.426 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.624 3.975 4.717 1.00 0.00 C ATOM 0 H VAL A 80 -10.399 4.751 3.806 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.639 6.495 3.194 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.873 5.538 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.316 5.453 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.766 7.066 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.529 5.969 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.080 3.431 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.241 3.864 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.630 3.572 4.522 1.00 0.00 H new ATOM 1178 N CYS A 81 -12.045 8.590 4.489 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.581 9.877 4.994 1.00 0.00 C ATOM 1180 C CYS A 81 -12.597 10.483 5.957 1.00 0.00 C ATOM 1181 O CYS A 81 -12.541 11.672 6.267 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.322 10.840 3.834 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.824 11.484 3.060 1.00 0.00 S ATOM 0 H CYS A 81 -13.008 8.591 4.154 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.649 9.712 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.726 11.677 4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.727 10.329 3.077 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.989 10.923 1.899 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.526 9.656 6.426 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.543 10.128 7.347 1.00 0.00 C ATOM 1191 C GLY A 82 -15.940 9.709 6.934 1.00 0.00 C ATOM 1192 O GLY A 82 -16.494 8.755 7.478 1.00 0.00 O ATOM 0 H GLY A 82 -13.592 8.667 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.332 9.743 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.497 11.215 7.408 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.509 10.426 5.970 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.851 10.124 5.486 1.00 0.00 C ATOM 1198 C GLN A 83 -17.796 9.401 4.144 1.00 0.00 C ATOM 1199 O GLN A 83 -18.496 8.412 3.932 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.670 11.409 5.354 1.00 0.00 C ATOM 1201 CG GLN A 83 -19.010 12.054 6.688 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.805 11.135 7.594 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.604 10.324 7.128 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -19.588 11.258 8.899 1.00 0.00 N ATOM 0 H GLN A 83 -16.062 11.219 5.509 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.332 9.468 6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.115 12.123 4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.595 11.187 4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.088 12.346 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -19.580 12.966 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.916 11.944 9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.094 10.666 9.558 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.960 9.904 3.241 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.816 9.306 1.918 1.00 0.00 C ATOM 1215 C GLU A 84 -15.563 8.438 1.848 1.00 0.00 C ATOM 1216 O GLU A 84 -14.675 8.542 2.694 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.756 10.396 0.846 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.022 11.232 0.757 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.273 10.385 0.626 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.253 9.413 -0.158 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.272 10.695 1.308 1.00 0.00 O ATOM 0 H GLU A 84 -16.373 10.723 3.401 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.685 8.674 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.911 11.052 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.568 9.932 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.103 11.858 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.951 11.903 -0.099 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.499 7.583 0.833 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.357 6.695 0.652 1.00 0.00 C ATOM 1230 C ARG A 85 -14.315 6.147 -0.772 1.00 0.00 C ATOM 1231 O ARG A 85 -15.343 6.049 -1.442 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.418 5.540 1.653 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.192 4.335 1.146 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.846 3.573 2.288 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.082 4.210 2.734 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.877 3.700 3.668 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -17.566 2.551 4.252 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.985 4.339 4.020 1.00 0.00 N ATOM 0 H ARG A 85 -16.225 7.486 0.123 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.449 7.271 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.402 5.231 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.877 5.894 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.956 4.662 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.519 3.672 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.059 2.553 1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.150 3.506 3.124 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.350 5.096 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.715 2.057 3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.178 2.161 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.228 5.223 3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.594 3.946 4.737 1.00 0.00 H new ATOM 1252 N THR A 86 -13.118 5.790 -1.228 1.00 0.00 N ATOM 1253 CA THR A 86 -12.941 5.254 -2.571 1.00 0.00 C ATOM 1254 C THR A 86 -12.612 3.766 -2.530 1.00 0.00 C ATOM 1255 O THR A 86 -12.594 3.154 -1.462 1.00 0.00 O ATOM 1256 CB THR A 86 -11.822 5.994 -3.329 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.627 5.400 -4.617 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.520 5.955 -2.544 1.00 0.00 C ATOM 0 H THR A 86 -12.257 5.863 -0.686 1.00 0.00 H new ATOM 0 HA THR A 86 -13.885 5.401 -3.096 1.00 0.00 H new ATOM 0 HB THR A 86 -12.123 7.035 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.170 6.037 -5.205 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.745 6.484 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.664 6.434 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.216 4.919 -2.394 1.00 0.00 H new ATOM 1266 N SER A 87 -12.352 3.189 -3.699 1.00 0.00 N ATOM 1267 CA SER A 87 -12.027 1.771 -3.796 1.00 0.00 C ATOM 1268 C SER A 87 -11.315 1.466 -5.111 1.00 0.00 C ATOM 1269 O SER A 87 -11.504 2.163 -6.107 1.00 0.00 O ATOM 1270 CB SER A 87 -13.297 0.926 -3.682 1.00 0.00 C ATOM 1271 OG SER A 87 -14.382 1.543 -4.354 1.00 0.00 O ATOM 0 H SER A 87 -12.360 3.682 -4.592 1.00 0.00 H new ATOM 0 HA SER A 87 -11.357 1.520 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.119 -0.063 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.550 0.783 -2.631 1.00 0.00 H new ATOM 0 HG SER A 87 -15.181 0.983 -4.268 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.497 0.419 -5.104 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.758 0.019 -6.295 1.00 0.00 C ATOM 1279 C ALA A 88 -9.347 -1.448 -6.220 1.00 0.00 C ATOM 1280 O ALA A 88 -8.435 -1.809 -5.478 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.534 0.903 -6.479 1.00 0.00 C ATOM 0 H ALA A 88 -10.329 -0.168 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.414 0.142 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.992 0.593 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.848 1.941 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.884 0.810 -5.609 1.00 0.00 H new ATOM 1287 N MET A 89 -10.027 -2.288 -6.993 1.00 0.00 N ATOM 1288 CA MET A 89 -9.731 -3.716 -7.013 1.00 0.00 C ATOM 1289 C MET A 89 -8.259 -3.962 -7.329 1.00 0.00 C ATOM 1290 O MET A 89 -7.736 -3.461 -8.325 1.00 0.00 O ATOM 1291 CB MET A 89 -10.612 -4.427 -8.043 1.00 0.00 C ATOM 1292 CG MET A 89 -11.968 -4.845 -7.499 1.00 0.00 C ATOM 1293 SD MET A 89 -11.836 -5.919 -6.057 1.00 0.00 S ATOM 1294 CE MET A 89 -11.092 -7.375 -6.787 1.00 0.00 C ATOM 0 H MET A 89 -10.786 -2.005 -7.613 1.00 0.00 H new ATOM 0 HA MET A 89 -9.944 -4.120 -6.023 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.761 -3.768 -8.898 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.088 -5.310 -8.408 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.539 -3.955 -7.233 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.526 -5.360 -8.281 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.172 -8.212 -6.093 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.609 -7.622 -7.714 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.041 -7.179 -6.999 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.597 -4.736 -6.476 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.185 -5.048 -6.665 1.00 0.00 C ATOM 1306 C LEU A 90 -6.003 -6.488 -7.132 1.00 0.00 C ATOM 1307 O LEU A 90 -6.317 -7.433 -6.407 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.414 -4.822 -5.363 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.052 -5.508 -5.261 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.220 -5.230 -6.503 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.316 -5.051 -4.010 1.00 0.00 C ATOM 0 H LEU A 90 -8.015 -5.159 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.792 -4.383 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.269 -3.750 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.033 -5.164 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.213 -6.584 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.254 -5.726 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.741 -5.608 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.068 -4.156 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.349 -5.550 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.166 -3.972 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.905 -5.303 -3.129 1.00 0.00 H new ATOM 1323 N THR A 91 -5.492 -6.650 -8.349 1.00 0.00 N ATOM 1324 CA THR A 91 -5.267 -7.975 -8.914 1.00 0.00 C ATOM 1325 C THR A 91 -3.794 -8.360 -8.843 1.00 0.00 C ATOM 1326 O THR A 91 -2.927 -7.630 -9.325 1.00 0.00 O ATOM 1327 CB THR A 91 -5.735 -8.048 -10.379 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.156 -7.887 -10.448 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.339 -9.375 -11.009 1.00 0.00 C ATOM 0 H THR A 91 -5.226 -5.880 -8.962 1.00 0.00 H new ATOM 0 HA THR A 91 -5.852 -8.676 -8.318 1.00 0.00 H new ATOM 0 HB THR A 91 -5.251 -7.243 -10.932 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.445 -7.933 -11.383 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.681 -9.403 -12.044 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.255 -9.481 -10.982 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.798 -10.193 -10.453 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.516 -9.511 -8.240 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.146 -9.994 -8.108 1.00 0.00 C ATOM 1339 C VAL A 92 -1.871 -11.138 -9.078 1.00 0.00 C ATOM 1340 O VAL A 92 -2.158 -12.298 -8.782 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.856 -10.471 -6.673 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.435 -11.005 -6.565 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.086 -9.343 -5.679 1.00 0.00 C ATOM 0 H VAL A 92 -4.221 -10.127 -7.835 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.490 -9.156 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.544 -11.282 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.248 -11.338 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.309 -11.844 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.271 -10.216 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.876 -9.699 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.424 -8.510 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.123 -9.011 -5.738 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.313 -10.802 -10.236 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.000 -11.801 -11.251 1.00 0.00 C ATOM 1355 C ARG A 93 0.117 -12.726 -10.776 1.00 0.00 C ATOM 1356 O ARG A 93 1.260 -12.302 -10.611 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.591 -11.120 -12.558 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.605 -10.105 -13.059 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.844 -10.784 -13.619 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.652 -11.221 -14.999 1.00 0.00 N ATOM 1361 CZ ARG A 93 -3.652 -11.475 -15.836 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -4.908 -11.335 -15.435 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -3.397 -11.869 -17.077 1.00 0.00 N ATOM 0 H ARG A 93 -1.068 -9.846 -10.495 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.895 -12.399 -11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.368 -10.622 -12.414 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.443 -11.881 -13.324 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.890 -9.441 -12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.149 -9.484 -13.830 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.098 -11.643 -12.999 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.688 -10.096 -13.571 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.697 -11.338 -15.339 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.108 -11.032 -14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.674 -11.531 -16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.432 -11.977 -17.390 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.166 -12.064 -17.718 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.223 -13.992 -10.557 1.00 0.00 N ATOM 1378 CA ALA A 94 0.750 -14.977 -10.103 1.00 0.00 C ATOM 1379 C ALA A 94 1.961 -15.021 -11.029 1.00 0.00 C ATOM 1380 O ALA A 94 1.826 -14.907 -12.249 1.00 0.00 O ATOM 1381 CB ALA A 94 0.105 -16.352 -10.008 1.00 0.00 C ATOM 0 H ALA A 94 -1.166 -14.359 -10.687 1.00 0.00 H new ATOM 0 HA ALA A 94 1.094 -14.680 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.844 -17.078 -9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.723 -16.317 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.269 -16.647 -10.989 1.00 0.00 H new ATOM 1387 N LEU A 95 3.142 -15.187 -10.445 1.00 0.00 N ATOM 1388 CA LEU A 95 4.377 -15.245 -11.219 1.00 0.00 C ATOM 1389 C LEU A 95 4.528 -16.600 -11.903 1.00 0.00 C ATOM 1390 O LEU A 95 4.102 -17.634 -11.387 1.00 0.00 O ATOM 1391 CB LEU A 95 5.582 -14.981 -10.314 1.00 0.00 C ATOM 1392 CG LEU A 95 5.820 -13.523 -9.921 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.908 -13.425 -8.863 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.185 -12.694 -11.143 1.00 0.00 C ATOM 0 H LEU A 95 3.271 -15.284 -9.438 1.00 0.00 H new ATOM 0 HA LEU A 95 4.331 -14.474 -11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.462 -15.567 -9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.476 -15.352 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 95 4.897 -13.125 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.063 -12.380 -8.596 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.606 -13.984 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.836 -13.841 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.351 -11.659 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.094 -13.092 -11.594 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.372 -12.737 -11.868 1.00 0.00 H new