USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 THR OG1 : rot -111:sc= 1.18 USER MOD Set 2.2: A 99 ASN : amide:sc= 0.999 K(o=2.2,f=-3.4) USER MOD Single : A 10 THR OG1 : rot 170:sc= -0.0435 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 168:sc= 1.13 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.14) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.95 K(o=1.9,f=-0.29) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0973 USER MOD Single : A 59 GLN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 152:sc= -1.73 (180deg=-4.56!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.0382 K(o=0.038,f=-6.5!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -0.272 K(o=-0.27,f=-0.91) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.396 USER MOD Single : A 82 HIS : no HE2:sc= -0.757 K(o=-0.76,f=-3.5!) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.101) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 91 SER OG : rot 70:sc= 0.182 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 99:sc= 0.974 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.681 -13.183 -3.024 1.00 0.00 N ATOM 86 CA PHE A 9 8.272 -12.970 -3.339 1.00 0.00 C ATOM 87 C PHE A 9 7.395 -13.604 -2.269 1.00 0.00 C ATOM 88 O PHE A 9 7.780 -14.588 -1.628 1.00 0.00 O ATOM 89 CB PHE A 9 7.883 -13.556 -4.705 1.00 0.00 C ATOM 90 CG PHE A 9 6.422 -13.323 -5.048 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.989 -12.054 -5.476 1.00 0.00 C ATOM 92 CD2 PHE A 9 5.466 -14.333 -4.829 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.621 -11.799 -5.684 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.124 -14.103 -5.148 1.00 0.00 C ATOM 95 CZ PHE A 9 3.687 -12.830 -5.521 1.00 0.00 C ATOM 0 HA PHE A 9 8.117 -11.892 -3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.509 -13.111 -5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.086 -14.627 -4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.712 -11.270 -5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.768 -15.284 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.292 -10.811 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.418 -14.919 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.636 -12.642 -5.683 1.00 0.00 H new ATOM 105 N THR A 10 6.199 -13.056 -2.117 1.00 0.00 N ATOM 106 CA THR A 10 5.170 -13.543 -1.224 1.00 0.00 C ATOM 107 C THR A 10 4.374 -14.709 -1.836 1.00 0.00 C ATOM 108 O THR A 10 4.918 -15.812 -1.920 1.00 0.00 O ATOM 109 CB THR A 10 4.385 -12.303 -0.765 1.00 0.00 C ATOM 110 OG1 THR A 10 5.269 -11.294 -0.337 1.00 0.00 O ATOM 111 CG2 THR A 10 3.440 -12.525 0.409 1.00 0.00 C ATOM 0 H THR A 10 5.912 -12.226 -2.636 1.00 0.00 H new ATOM 0 HA THR A 10 5.565 -14.024 -0.329 1.00 0.00 H new ATOM 0 HB THR A 10 3.798 -12.036 -1.644 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.773 -10.460 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.936 -11.589 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.698 -13.277 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.008 -12.867 1.274 1.00 0.00 H new ATOM 119 N ARG A 11 3.104 -14.476 -2.195 1.00 0.00 N ATOM 120 CA ARG A 11 2.040 -15.307 -2.779 1.00 0.00 C ATOM 121 C ARG A 11 0.740 -15.028 -2.039 1.00 0.00 C ATOM 122 O ARG A 11 -0.204 -14.461 -2.576 1.00 0.00 O ATOM 123 CB ARG A 11 2.305 -16.821 -2.751 1.00 0.00 C ATOM 124 CG ARG A 11 2.997 -17.395 -3.984 1.00 0.00 C ATOM 125 CD ARG A 11 2.714 -18.905 -4.108 1.00 0.00 C ATOM 126 NE ARG A 11 3.528 -19.706 -3.171 1.00 0.00 N ATOM 127 CZ ARG A 11 3.296 -19.961 -1.878 1.00 0.00 C ATOM 128 NH1 ARG A 11 2.133 -19.649 -1.314 1.00 0.00 N ATOM 129 NH2 ARG A 11 4.238 -20.520 -1.129 1.00 0.00 N ATOM 0 H ARG A 11 2.740 -13.533 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 11 1.992 -15.031 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.914 -17.048 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.353 -17.335 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.647 -16.879 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.072 -17.225 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.657 -19.091 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.916 -19.228 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 11 4.376 -20.118 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.399 -19.208 -1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.974 -19.851 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.142 -20.756 -1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.058 -20.713 -0.144 1.00 0.00 H new ATOM 143 N ASP A 12 0.738 -15.439 -0.775 1.00 0.00 N ATOM 144 CA ASP A 12 -0.464 -15.740 0.010 1.00 0.00 C ATOM 145 C ASP A 12 -0.547 -14.885 1.278 1.00 0.00 C ATOM 146 O ASP A 12 -1.520 -14.921 2.020 1.00 0.00 O ATOM 147 CB ASP A 12 -0.393 -17.234 0.335 1.00 0.00 C ATOM 148 CG ASP A 12 -1.412 -17.697 1.381 1.00 0.00 C ATOM 149 OD1 ASP A 12 -1.039 -17.707 2.576 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.497 -18.184 1.001 1.00 0.00 O ATOM 0 H ASP A 12 1.600 -15.578 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.367 -15.503 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.547 -17.802 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.610 -17.470 0.691 1.00 0.00 H new ATOM 155 N ALA A 13 0.489 -14.082 1.514 1.00 0.00 N ATOM 156 CA ALA A 13 0.654 -13.104 2.582 1.00 0.00 C ATOM 157 C ALA A 13 0.921 -13.703 3.960 1.00 0.00 C ATOM 158 O ALA A 13 1.704 -13.112 4.696 1.00 0.00 O ATOM 159 CB ALA A 13 -0.491 -12.105 2.604 1.00 0.00 C ATOM 0 H ALA A 13 1.307 -14.103 0.906 1.00 0.00 H new ATOM 0 HA ALA A 13 1.570 -12.566 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.335 -11.391 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.529 -11.574 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.431 -12.633 2.762 1.00 0.00 H new ATOM 165 N SER A 14 0.472 -14.924 4.258 1.00 0.00 N ATOM 166 CA SER A 14 1.033 -15.686 5.373 1.00 0.00 C ATOM 167 C SER A 14 2.497 -16.074 5.117 1.00 0.00 C ATOM 168 O SER A 14 3.167 -16.581 6.016 1.00 0.00 O ATOM 169 CB SER A 14 0.171 -16.911 5.667 1.00 0.00 C ATOM 170 OG SER A 14 -1.052 -16.510 6.249 1.00 0.00 O ATOM 0 H SER A 14 -0.271 -15.402 3.748 1.00 0.00 H new ATOM 0 HA SER A 14 1.027 -15.046 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.018 -17.463 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.700 -17.586 6.340 1.00 0.00 H new ATOM 0 HG SER A 14 -1.601 -17.300 6.434 1.00 0.00 H new ATOM 176 N GLN A 15 3.019 -15.807 3.917 1.00 0.00 N ATOM 177 CA GLN A 15 4.441 -15.777 3.601 1.00 0.00 C ATOM 178 C GLN A 15 5.177 -14.622 4.311 1.00 0.00 C ATOM 179 O GLN A 15 6.405 -14.664 4.395 1.00 0.00 O ATOM 180 CB GLN A 15 4.584 -15.631 2.073 1.00 0.00 C ATOM 181 CG GLN A 15 4.267 -16.914 1.295 1.00 0.00 C ATOM 182 CD GLN A 15 5.515 -17.764 1.083 1.00 0.00 C ATOM 183 OE1 GLN A 15 5.883 -18.548 1.953 1.00 0.00 O ATOM 184 NE2 GLN A 15 6.181 -17.612 -0.051 1.00 0.00 N ATOM 0 H GLN A 15 2.434 -15.598 3.108 1.00 0.00 H new ATOM 0 HA GLN A 15 4.897 -16.702 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.921 -14.836 1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.602 -15.319 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.519 -17.493 1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.833 -16.657 0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.848 -16.952 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.027 -18.155 -0.222 1.00 0.00 H new ATOM 193 N LEU A 16 4.490 -13.579 4.790 1.00 0.00 N ATOM 194 CA LEU A 16 5.085 -12.463 5.532 1.00 0.00 C ATOM 195 C LEU A 16 5.040 -12.791 7.025 1.00 0.00 C ATOM 196 O LEU A 16 4.226 -13.606 7.472 1.00 0.00 O ATOM 197 CB LEU A 16 4.336 -11.141 5.258 1.00 0.00 C ATOM 198 CG LEU A 16 4.173 -10.756 3.775 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.474 -9.402 3.628 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.524 -10.699 3.055 1.00 0.00 C ATOM 0 H LEU A 16 3.481 -13.486 4.669 1.00 0.00 H new ATOM 0 HA LEU A 16 6.116 -12.329 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.345 -11.207 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.864 -10.334 5.767 1.00 0.00 H new ATOM 0 HG LEU A 16 3.560 -11.532 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.373 -9.157 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.486 -9.451 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.065 -8.632 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.369 -10.424 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.161 -9.956 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.005 -11.676 3.106 1.00 0.00 H new ATOM 212 N LYS A 17 5.887 -12.134 7.820 1.00 0.00 N ATOM 213 CA LYS A 17 6.122 -12.475 9.209 1.00 0.00 C ATOM 214 C LYS A 17 5.657 -11.409 10.206 1.00 0.00 C ATOM 215 O LYS A 17 5.779 -11.577 11.418 1.00 0.00 O ATOM 216 CB LYS A 17 7.571 -12.877 9.393 1.00 0.00 C ATOM 217 CG LYS A 17 8.635 -11.801 9.253 1.00 0.00 C ATOM 218 CD LYS A 17 9.180 -11.597 7.835 1.00 0.00 C ATOM 219 CE LYS A 17 10.341 -12.528 7.466 1.00 0.00 C ATOM 220 NZ LYS A 17 11.149 -11.943 6.372 1.00 0.00 N ATOM 0 H LYS A 17 6.436 -11.335 7.502 1.00 0.00 H new ATOM 0 HA LYS A 17 5.491 -13.331 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.671 -13.318 10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.794 -13.662 8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.221 -10.856 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.467 -12.049 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.369 -11.746 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.511 -10.564 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.970 -12.698 8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.952 -13.499 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.931 -12.587 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.549 -11.804 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.535 -11.027 6.677 1.00 0.00 H new ATOM 234 N GLY A 18 5.177 -10.293 9.695 1.00 0.00 N ATOM 235 CA GLY A 18 4.667 -9.161 10.441 1.00 0.00 C ATOM 236 C GLY A 18 3.266 -9.423 10.972 1.00 0.00 C ATOM 237 O GLY A 18 2.741 -10.538 10.894 1.00 0.00 O ATOM 0 H GLY A 18 5.130 -10.144 8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.336 -8.942 11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.655 -8.279 9.801 1.00 0.00 H new ATOM 241 N THR A 19 2.680 -8.374 11.535 1.00 0.00 N ATOM 242 CA THR A 19 1.287 -8.305 11.944 1.00 0.00 C ATOM 243 C THR A 19 0.450 -7.825 10.750 1.00 0.00 C ATOM 244 O THR A 19 0.966 -7.163 9.845 1.00 0.00 O ATOM 245 CB THR A 19 1.215 -7.355 13.150 1.00 0.00 C ATOM 246 OG1 THR A 19 2.063 -7.852 14.168 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.173 -7.238 13.760 1.00 0.00 C ATOM 0 H THR A 19 3.188 -7.510 11.727 1.00 0.00 H new ATOM 0 HA THR A 19 0.886 -9.273 12.245 1.00 0.00 H new ATOM 0 HB THR A 19 1.509 -6.373 12.780 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.028 -7.254 14.944 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.142 -6.550 14.605 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.869 -6.861 13.011 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.504 -8.219 14.102 1.00 0.00 H new ATOM 255 N PHE A 20 -0.846 -8.141 10.739 1.00 0.00 N ATOM 256 CA PHE A 20 -1.750 -7.905 9.621 1.00 0.00 C ATOM 257 C PHE A 20 -2.944 -7.107 10.110 1.00 0.00 C ATOM 258 O PHE A 20 -3.604 -7.494 11.077 1.00 0.00 O ATOM 259 CB PHE A 20 -2.204 -9.247 9.034 1.00 0.00 C ATOM 260 CG PHE A 20 -1.344 -9.740 7.895 1.00 0.00 C ATOM 261 CD1 PHE A 20 0.004 -10.082 8.105 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.896 -9.828 6.606 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.807 -10.454 7.017 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.093 -10.203 5.523 1.00 0.00 C ATOM 265 CZ PHE A 20 0.268 -10.482 5.719 1.00 0.00 C ATOM 0 H PHE A 20 -1.306 -8.582 11.535 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.239 -7.341 8.841 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.206 -9.996 9.826 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.232 -9.150 8.684 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.420 -10.058 9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.941 -9.606 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.842 -10.720 7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.522 -10.278 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.900 -10.718 4.875 1.00 0.00 H new ATOM 275 N LEU A 21 -3.272 -6.027 9.408 1.00 0.00 N ATOM 276 CA LEU A 21 -4.269 -5.047 9.817 1.00 0.00 C ATOM 277 C LEU A 21 -5.482 -5.183 8.889 1.00 0.00 C ATOM 278 O LEU A 21 -5.453 -5.982 7.947 1.00 0.00 O ATOM 279 CB LEU A 21 -3.681 -3.622 9.725 1.00 0.00 C ATOM 280 CG LEU A 21 -2.338 -3.304 10.422 1.00 0.00 C ATOM 281 CD1 LEU A 21 -2.213 -3.870 11.841 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.107 -3.737 9.617 1.00 0.00 C ATOM 0 H LEU A 21 -2.838 -5.804 8.512 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.569 -5.223 10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.564 -3.385 8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.427 -2.935 10.125 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.358 -2.216 10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.242 -3.601 12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.003 -3.457 12.468 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.306 -4.956 11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.203 -3.481 10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.140 -4.814 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.102 -3.224 8.655 1.00 0.00 H new ATOM 294 N SER A 22 -6.575 -4.473 9.164 1.00 0.00 N ATOM 295 CA SER A 22 -7.694 -4.341 8.251 1.00 0.00 C ATOM 296 C SER A 22 -8.389 -3.001 8.490 1.00 0.00 C ATOM 297 O SER A 22 -8.551 -2.591 9.644 1.00 0.00 O ATOM 298 CB SER A 22 -8.624 -5.539 8.453 1.00 0.00 C ATOM 299 OG SER A 22 -9.022 -5.728 9.805 1.00 0.00 O ATOM 0 H SER A 22 -6.704 -3.969 10.041 1.00 0.00 H new ATOM 0 HA SER A 22 -7.365 -4.344 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.513 -5.407 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.123 -6.441 8.101 1.00 0.00 H new ATOM 0 HG SER A 22 -9.615 -6.506 9.866 1.00 0.00 H new ATOM 305 N THR A 23 -8.863 -2.339 7.438 1.00 0.00 N ATOM 306 CA THR A 23 -9.715 -1.166 7.556 1.00 0.00 C ATOM 307 C THR A 23 -10.642 -1.081 6.344 1.00 0.00 C ATOM 308 O THR A 23 -10.343 -1.652 5.294 1.00 0.00 O ATOM 309 CB THR A 23 -8.871 0.104 7.765 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.763 1.159 8.013 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.976 0.474 6.577 1.00 0.00 C ATOM 0 H THR A 23 -8.663 -2.606 6.474 1.00 0.00 H new ATOM 0 HA THR A 23 -10.347 -1.255 8.440 1.00 0.00 H new ATOM 0 HB THR A 23 -8.192 -0.086 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.266 1.937 8.343 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.418 1.380 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.279 -0.341 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.594 0.646 5.696 1.00 0.00 H new ATOM 319 N THR A 24 -11.756 -0.368 6.485 1.00 0.00 N ATOM 320 CA THR A 24 -12.707 -0.055 5.437 1.00 0.00 C ATOM 321 C THR A 24 -12.794 1.470 5.352 1.00 0.00 C ATOM 322 O THR A 24 -13.390 2.105 6.221 1.00 0.00 O ATOM 323 CB THR A 24 -14.051 -0.717 5.777 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.886 -2.111 5.937 1.00 0.00 O ATOM 325 CG2 THR A 24 -15.107 -0.461 4.704 1.00 0.00 C ATOM 0 H THR A 24 -12.029 0.026 7.385 1.00 0.00 H new ATOM 0 HA THR A 24 -12.405 -0.439 4.463 1.00 0.00 H new ATOM 0 HB THR A 24 -14.396 -0.271 6.710 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.328 -2.580 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 24 -16.040 -0.948 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 24 -15.273 0.612 4.606 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.763 -0.864 3.751 1.00 0.00 H new ATOM 333 N LEU A 25 -12.207 2.083 4.315 1.00 0.00 N ATOM 334 CA LEU A 25 -12.216 3.541 4.200 1.00 0.00 C ATOM 335 C LEU A 25 -13.350 3.922 3.257 1.00 0.00 C ATOM 336 O LEU A 25 -13.340 3.557 2.076 1.00 0.00 O ATOM 337 CB LEU A 25 -10.890 4.084 3.650 1.00 0.00 C ATOM 338 CG LEU A 25 -9.632 4.055 4.544 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.840 5.355 4.357 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.896 3.898 6.045 1.00 0.00 C ATOM 0 H LEU A 25 -11.728 1.598 3.556 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.354 3.974 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.659 3.527 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.058 5.120 3.354 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.086 3.169 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.952 5.334 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.541 5.452 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.464 6.204 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.948 3.889 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.505 4.731 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.424 2.962 6.226 1.00 0.00 H new ATOM 352 N LYS A 26 -14.325 4.680 3.750 1.00 0.00 N ATOM 353 CA LYS A 26 -15.524 5.062 3.010 1.00 0.00 C ATOM 354 C LYS A 26 -15.258 6.396 2.337 1.00 0.00 C ATOM 355 O LYS A 26 -15.042 7.383 3.028 1.00 0.00 O ATOM 356 CB LYS A 26 -16.720 5.110 3.974 1.00 0.00 C ATOM 357 CG LYS A 26 -18.035 5.505 3.269 1.00 0.00 C ATOM 358 CD LYS A 26 -18.879 6.513 4.061 1.00 0.00 C ATOM 359 CE LYS A 26 -18.095 7.804 4.345 1.00 0.00 C ATOM 360 NZ LYS A 26 -18.920 9.023 4.260 1.00 0.00 N ATOM 0 H LYS A 26 -14.303 5.055 4.698 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.769 4.335 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.843 4.134 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.511 5.823 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.801 5.928 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -18.627 4.607 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.783 6.751 3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -19.196 6.064 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.655 7.741 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.271 7.883 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.331 9.856 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.320 9.106 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.692 8.969 4.954 1.00 0.00 H new ATOM 374 N LYS A 27 -15.270 6.411 1.002 1.00 0.00 N ATOM 375 CA LYS A 27 -14.886 7.505 0.116 1.00 0.00 C ATOM 376 C LYS A 27 -15.415 8.852 0.597 1.00 0.00 C ATOM 377 O LYS A 27 -16.528 9.233 0.228 1.00 0.00 O ATOM 378 CB LYS A 27 -15.347 7.149 -1.308 1.00 0.00 C ATOM 379 CG LYS A 27 -14.789 8.101 -2.370 1.00 0.00 C ATOM 380 CD LYS A 27 -13.783 7.405 -3.286 1.00 0.00 C ATOM 381 CE LYS A 27 -13.351 8.421 -4.349 1.00 0.00 C ATOM 382 NZ LYS A 27 -12.580 7.814 -5.447 1.00 0.00 N ATOM 0 H LYS A 27 -15.573 5.592 0.474 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.802 7.622 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.037 6.130 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.436 7.167 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.609 8.499 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.309 8.949 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.922 7.057 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.232 6.528 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.236 8.907 -4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.750 9.199 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.404 8.527 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.672 7.463 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.119 7.023 -5.854 1.00 0.00 H new ATOM 396 N SER A 28 -14.621 9.572 1.387 1.00 0.00 N ATOM 397 CA SER A 28 -14.857 10.969 1.689 1.00 0.00 C ATOM 398 C SER A 28 -14.346 11.729 0.471 1.00 0.00 C ATOM 399 O SER A 28 -13.144 11.686 0.200 1.00 0.00 O ATOM 400 CB SER A 28 -14.120 11.349 2.981 1.00 0.00 C ATOM 401 OG SER A 28 -14.297 12.718 3.298 1.00 0.00 O ATOM 0 H SER A 28 -13.789 9.191 1.837 1.00 0.00 H new ATOM 0 HA SER A 28 -15.907 11.203 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.485 10.734 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.057 11.135 2.871 1.00 0.00 H new ATOM 0 HG SER A 28 -13.817 12.927 4.126 1.00 0.00 H new ATOM 407 N ASN A 29 -15.266 12.338 -0.280 1.00 0.00 N ATOM 408 CA ASN A 29 -15.151 12.954 -1.604 1.00 0.00 C ATOM 409 C ASN A 29 -13.914 12.548 -2.406 1.00 0.00 C ATOM 410 O ASN A 29 -13.988 11.607 -3.196 1.00 0.00 O ATOM 411 CB ASN A 29 -15.367 14.478 -1.538 1.00 0.00 C ATOM 412 CG ASN A 29 -16.276 14.868 -2.685 1.00 0.00 C ATOM 413 OD1 ASN A 29 -15.831 15.042 -3.811 1.00 0.00 O ATOM 414 ND2 ASN A 29 -17.569 14.932 -2.433 1.00 0.00 N ATOM 0 H ASN A 29 -16.222 12.421 0.066 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.969 12.534 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.814 14.759 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.414 15.002 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.226 15.131 -3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.912 14.783 -1.484 1.00 0.00 H new ATOM 421 N MET A 30 -12.771 13.202 -2.162 1.00 0.00 N ATOM 422 CA MET A 30 -11.520 13.028 -2.902 1.00 0.00 C ATOM 423 C MET A 30 -11.018 11.582 -2.919 1.00 0.00 C ATOM 424 O MET A 30 -10.232 11.207 -3.794 1.00 0.00 O ATOM 425 CB MET A 30 -10.411 13.885 -2.284 1.00 0.00 C ATOM 426 CG MET A 30 -10.707 15.381 -2.248 1.00 0.00 C ATOM 427 SD MET A 30 -9.749 16.209 -0.956 1.00 0.00 S ATOM 428 CE MET A 30 -10.506 17.839 -1.071 1.00 0.00 C ATOM 0 H MET A 30 -12.692 13.892 -1.415 1.00 0.00 H new ATOM 0 HA MET A 30 -11.745 13.331 -3.925 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.228 13.540 -1.266 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.491 13.724 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.474 15.823 -3.217 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.771 15.539 -2.073 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.045 18.506 -0.343 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.358 18.239 -2.074 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.574 17.760 -0.866 1.00 0.00 H new ATOM 438 N GLY A 31 -11.444 10.760 -1.963 1.00 0.00 N ATOM 439 CA GLY A 31 -11.167 9.346 -1.909 1.00 0.00 C ATOM 440 C GLY A 31 -10.524 8.986 -0.595 1.00 0.00 C ATOM 441 O GLY A 31 -11.110 9.210 0.464 1.00 0.00 O ATOM 0 H GLY A 31 -12.012 11.083 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.092 8.783 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.509 9.066 -2.732 1.00 0.00 H new ATOM 445 N PHE A 32 -9.357 8.359 -0.666 1.00 0.00 N ATOM 446 CA PHE A 32 -8.659 7.852 0.494 1.00 0.00 C ATOM 447 C PHE A 32 -7.524 8.818 0.782 1.00 0.00 C ATOM 448 O PHE A 32 -6.749 9.119 -0.127 1.00 0.00 O ATOM 449 CB PHE A 32 -8.135 6.432 0.229 1.00 0.00 C ATOM 450 CG PHE A 32 -9.078 5.539 -0.556 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.024 4.789 0.148 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.082 5.516 -1.965 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.005 4.049 -0.528 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.040 4.746 -2.651 1.00 0.00 C ATOM 455 CZ PHE A 32 -10.989 3.999 -1.930 1.00 0.00 C ATOM 0 H PHE A 32 -8.868 8.189 -1.545 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.324 7.783 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.191 6.504 -0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.919 5.956 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.999 4.779 1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.351 6.088 -2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.767 3.522 0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.046 4.729 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.706 3.386 -2.456 1.00 0.00 H new ATOM 465 N GLY A 33 -7.402 9.272 2.028 1.00 0.00 N ATOM 466 CA GLY A 33 -6.348 10.186 2.449 1.00 0.00 C ATOM 467 C GLY A 33 -5.018 9.460 2.636 1.00 0.00 C ATOM 468 O GLY A 33 -4.380 9.622 3.667 1.00 0.00 O ATOM 0 H GLY A 33 -8.040 9.011 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.231 10.975 1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.635 10.668 3.384 1.00 0.00 H new ATOM 472 N PHE A 34 -4.595 8.652 1.666 1.00 0.00 N ATOM 473 CA PHE A 34 -3.249 8.113 1.540 1.00 0.00 C ATOM 474 C PHE A 34 -2.919 7.983 0.050 1.00 0.00 C ATOM 475 O PHE A 34 -3.804 8.167 -0.794 1.00 0.00 O ATOM 476 CB PHE A 34 -3.135 6.779 2.304 1.00 0.00 C ATOM 477 CG PHE A 34 -3.946 5.608 1.765 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.295 5.440 2.133 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.325 4.627 0.969 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.027 4.323 1.690 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.055 3.505 0.533 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.409 3.356 0.877 1.00 0.00 C ATOM 0 H PHE A 34 -5.211 8.343 0.914 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.516 8.782 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.085 6.486 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.435 6.953 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.773 6.177 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.287 4.735 0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.063 4.208 1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.570 2.752 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.971 2.506 0.520 1.00 0.00 H new ATOM 492 N THR A 35 -1.674 7.663 -0.292 1.00 0.00 N ATOM 493 CA THR A 35 -1.286 7.256 -1.637 1.00 0.00 C ATOM 494 C THR A 35 -0.388 6.024 -1.555 1.00 0.00 C ATOM 495 O THR A 35 0.144 5.689 -0.494 1.00 0.00 O ATOM 496 CB THR A 35 -0.623 8.405 -2.415 1.00 0.00 C ATOM 497 OG1 THR A 35 0.467 8.973 -1.711 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.624 9.500 -2.786 1.00 0.00 C ATOM 0 H THR A 35 -0.896 7.680 0.368 1.00 0.00 H new ATOM 0 HA THR A 35 -2.183 6.995 -2.198 1.00 0.00 H new ATOM 0 HB THR A 35 -0.241 7.958 -3.333 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.858 9.697 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.112 10.291 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.411 9.077 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.064 9.914 -1.878 1.00 0.00 H new ATOM 506 N ILE A 36 -0.228 5.331 -2.679 1.00 0.00 N ATOM 507 CA ILE A 36 0.398 4.028 -2.769 1.00 0.00 C ATOM 508 C ILE A 36 1.609 4.134 -3.712 1.00 0.00 C ATOM 509 O ILE A 36 1.756 5.120 -4.454 1.00 0.00 O ATOM 510 CB ILE A 36 -0.690 3.001 -3.184 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.979 3.120 -2.334 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.164 1.570 -3.044 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.085 3.984 -2.958 1.00 0.00 C ATOM 0 H ILE A 36 -0.545 5.681 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 36 0.799 3.672 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.933 3.226 -4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.375 2.120 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.718 3.536 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.942 0.866 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.708 1.438 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.117 1.386 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.947 4.008 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.714 4.998 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.380 3.560 -3.918 1.00 0.00 H new ATOM 525 N ILE A 37 2.499 3.151 -3.629 1.00 0.00 N ATOM 526 CA ILE A 37 3.620 2.874 -4.514 1.00 0.00 C ATOM 527 C ILE A 37 3.572 1.369 -4.845 1.00 0.00 C ATOM 528 O ILE A 37 2.929 0.607 -4.123 1.00 0.00 O ATOM 529 CB ILE A 37 4.940 3.360 -3.850 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.161 2.984 -4.709 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.117 2.931 -2.383 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.425 3.787 -4.407 1.00 0.00 C ATOM 0 H ILE A 37 2.448 2.468 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 37 3.566 3.418 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 37 4.863 4.446 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.377 1.925 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.904 3.118 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.064 3.314 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.298 3.331 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.114 1.843 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.232 3.454 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.233 4.846 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.713 3.635 -3.367 1.00 0.00 H new ATOM 544 N GLY A 38 4.224 0.956 -5.934 1.00 0.00 N ATOM 545 CA GLY A 38 4.552 -0.411 -6.330 1.00 0.00 C ATOM 546 C GLY A 38 5.955 -0.368 -6.909 1.00 0.00 C ATOM 547 O GLY A 38 6.340 0.692 -7.414 1.00 0.00 O ATOM 0 H GLY A 38 4.565 1.630 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.506 -1.084 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.840 -0.783 -7.067 1.00 0.00 H new ATOM 551 N GLY A 39 6.712 -1.463 -6.841 1.00 0.00 N ATOM 552 CA GLY A 39 8.118 -1.483 -7.203 1.00 0.00 C ATOM 553 C GLY A 39 8.383 -0.925 -8.583 1.00 0.00 C ATOM 554 O GLY A 39 8.952 0.158 -8.719 1.00 0.00 O ATOM 0 H GLY A 39 6.357 -2.367 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.684 -0.908 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.485 -2.508 -7.156 1.00 0.00 H new ATOM 558 N ASP A 40 7.967 -1.672 -9.597 1.00 0.00 N ATOM 559 CA ASP A 40 8.125 -1.308 -10.996 1.00 0.00 C ATOM 560 C ASP A 40 7.381 -2.352 -11.814 1.00 0.00 C ATOM 561 O ASP A 40 6.518 -2.024 -12.631 1.00 0.00 O ATOM 562 CB ASP A 40 9.608 -1.263 -11.427 1.00 0.00 C ATOM 563 CG ASP A 40 9.856 -0.239 -12.532 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.966 0.045 -13.369 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.954 0.361 -12.544 1.00 0.00 O ATOM 0 H ASP A 40 7.499 -2.569 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 40 7.726 -0.307 -11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.228 -1.021 -10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.914 -2.250 -11.773 1.00 0.00 H new ATOM 570 N GLU A 41 7.692 -3.618 -11.550 1.00 0.00 N ATOM 571 CA GLU A 41 7.255 -4.756 -12.337 1.00 0.00 C ATOM 572 C GLU A 41 6.022 -5.448 -11.740 1.00 0.00 C ATOM 573 O GLU A 41 5.724 -5.251 -10.557 1.00 0.00 O ATOM 574 CB GLU A 41 8.453 -5.712 -12.462 1.00 0.00 C ATOM 575 CG GLU A 41 9.422 -5.150 -13.506 1.00 0.00 C ATOM 576 CD GLU A 41 10.353 -6.226 -14.028 1.00 0.00 C ATOM 577 OE1 GLU A 41 9.925 -6.965 -14.942 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.508 -6.289 -13.548 1.00 0.00 O ATOM 0 H GLU A 41 8.274 -3.883 -10.756 1.00 0.00 H new ATOM 0 HA GLU A 41 6.934 -4.422 -13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.954 -5.818 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.115 -6.705 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.859 -4.720 -14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.007 -4.343 -13.065 1.00 0.00 H new ATOM 585 N PRO A 42 5.319 -6.286 -12.531 1.00 0.00 N ATOM 586 CA PRO A 42 4.105 -7.000 -12.132 1.00 0.00 C ATOM 587 C PRO A 42 4.411 -8.186 -11.203 1.00 0.00 C ATOM 588 O PRO A 42 3.957 -9.304 -11.437 1.00 0.00 O ATOM 589 CB PRO A 42 3.464 -7.438 -13.460 1.00 0.00 C ATOM 590 CG PRO A 42 4.669 -7.692 -14.350 1.00 0.00 C ATOM 591 CD PRO A 42 5.580 -6.541 -13.948 1.00 0.00 C ATOM 0 HA PRO A 42 3.431 -6.374 -11.547 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.855 -8.334 -13.339 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.815 -6.664 -13.870 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.124 -8.664 -14.159 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.412 -7.663 -15.409 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.627 -6.799 -14.110 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.373 -5.654 -14.547 1.00 0.00 H new ATOM 599 N ASP A 43 5.214 -7.976 -10.169 1.00 0.00 N ATOM 600 CA ASP A 43 5.477 -8.942 -9.107 1.00 0.00 C ATOM 601 C ASP A 43 5.802 -8.222 -7.796 1.00 0.00 C ATOM 602 O ASP A 43 5.958 -8.876 -6.767 1.00 0.00 O ATOM 603 CB ASP A 43 6.654 -9.846 -9.517 1.00 0.00 C ATOM 604 CG ASP A 43 6.756 -11.120 -8.676 1.00 0.00 C ATOM 605 OD1 ASP A 43 5.778 -11.905 -8.673 1.00 0.00 O ATOM 606 OD2 ASP A 43 7.856 -11.418 -8.145 1.00 0.00 O ATOM 0 H ASP A 43 5.718 -7.099 -10.041 1.00 0.00 H new ATOM 0 HA ASP A 43 4.586 -9.551 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.546 -10.119 -10.567 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.584 -9.284 -9.428 1.00 0.00 H new ATOM 611 N GLU A 44 5.952 -6.890 -7.809 1.00 0.00 N ATOM 612 CA GLU A 44 6.643 -6.191 -6.733 1.00 0.00 C ATOM 613 C GLU A 44 5.688 -5.700 -5.658 1.00 0.00 C ATOM 614 O GLU A 44 4.540 -5.349 -5.933 1.00 0.00 O ATOM 615 CB GLU A 44 7.453 -5.010 -7.279 1.00 0.00 C ATOM 616 CG GLU A 44 8.543 -5.508 -8.232 1.00 0.00 C ATOM 617 CD GLU A 44 9.658 -4.487 -8.446 1.00 0.00 C ATOM 618 OE1 GLU A 44 10.302 -4.081 -7.446 1.00 0.00 O ATOM 619 OE2 GLU A 44 9.864 -4.105 -9.617 1.00 0.00 O ATOM 0 H GLU A 44 5.604 -6.284 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 44 7.319 -6.914 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.792 -4.318 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.905 -4.459 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.972 -6.429 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.093 -5.754 -9.194 1.00 0.00 H new ATOM 626 N PHE A 45 6.227 -5.590 -4.442 1.00 0.00 N ATOM 627 CA PHE A 45 5.504 -5.163 -3.257 1.00 0.00 C ATOM 628 C PHE A 45 4.908 -3.786 -3.478 1.00 0.00 C ATOM 629 O PHE A 45 5.592 -2.875 -3.958 1.00 0.00 O ATOM 630 CB PHE A 45 6.437 -5.153 -2.032 1.00 0.00 C ATOM 631 CG PHE A 45 7.233 -6.432 -1.871 1.00 0.00 C ATOM 632 CD1 PHE A 45 6.552 -7.630 -1.602 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.624 -6.453 -2.093 1.00 0.00 C ATOM 634 CE1 PHE A 45 7.249 -8.847 -1.613 1.00 0.00 C ATOM 635 CE2 PHE A 45 9.325 -7.673 -2.070 1.00 0.00 C ATOM 636 CZ PHE A 45 8.628 -8.876 -1.861 1.00 0.00 C ATOM 0 H PHE A 45 7.207 -5.803 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 45 4.695 -5.869 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.126 -4.313 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.843 -4.988 -1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.494 -7.614 -1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.154 -5.531 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.719 -9.770 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.395 -7.685 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.153 -9.819 -1.891 1.00 0.00 H new ATOM 646 N LEU A 46 3.641 -3.650 -3.095 1.00 0.00 N ATOM 647 CA LEU A 46 2.877 -2.418 -3.098 1.00 0.00 C ATOM 648 C LEU A 46 2.871 -1.914 -1.664 1.00 0.00 C ATOM 649 O LEU A 46 2.491 -2.670 -0.769 1.00 0.00 O ATOM 650 CB LEU A 46 1.435 -2.706 -3.541 1.00 0.00 C ATOM 651 CG LEU A 46 1.288 -3.094 -5.019 1.00 0.00 C ATOM 652 CD1 LEU A 46 -0.027 -3.848 -5.191 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.215 -1.862 -5.927 1.00 0.00 C ATOM 0 H LEU A 46 3.096 -4.443 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 46 3.309 -1.685 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.033 -3.511 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.826 -1.823 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 46 2.156 -3.694 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.149 -4.132 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.017 -4.744 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.856 -3.207 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.111 -2.180 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.355 -1.254 -5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.127 -1.274 -5.817 1.00 0.00 H new ATOM 665 N GLN A 47 3.269 -0.670 -1.416 1.00 0.00 N ATOM 666 CA GLN A 47 3.342 -0.121 -0.064 1.00 0.00 C ATOM 667 C GLN A 47 2.650 1.238 -0.008 1.00 0.00 C ATOM 668 O GLN A 47 2.502 1.919 -1.024 1.00 0.00 O ATOM 669 CB GLN A 47 4.804 -0.064 0.417 1.00 0.00 C ATOM 670 CG GLN A 47 5.478 -1.449 0.345 1.00 0.00 C ATOM 671 CD GLN A 47 6.860 -1.508 0.988 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.843 -1.839 0.336 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.982 -1.209 2.268 1.00 0.00 N ATOM 0 H GLN A 47 3.550 -0.014 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 47 2.810 -0.779 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.362 0.645 -0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.837 0.305 1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.832 -2.180 0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.564 -1.745 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.162 -0.934 2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.897 -1.253 2.717 1.00 0.00 H new ATOM 682 N VAL A 48 2.174 1.646 1.168 1.00 0.00 N ATOM 683 CA VAL A 48 1.618 2.977 1.351 1.00 0.00 C ATOM 684 C VAL A 48 2.776 3.974 1.215 1.00 0.00 C ATOM 685 O VAL A 48 3.692 3.983 2.041 1.00 0.00 O ATOM 686 CB VAL A 48 0.880 3.035 2.704 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.584 4.466 3.175 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.451 2.271 2.586 1.00 0.00 C ATOM 0 H VAL A 48 2.165 1.068 2.008 1.00 0.00 H new ATOM 0 HA VAL A 48 0.872 3.235 0.600 1.00 0.00 H new ATOM 0 HB VAL A 48 1.541 2.581 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.064 4.434 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.520 5.013 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.042 4.969 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.978 2.308 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.067 2.731 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.252 1.232 2.322 1.00 0.00 H new ATOM 698 N LYS A 49 2.757 4.783 0.147 1.00 0.00 N ATOM 699 CA LYS A 49 3.789 5.774 -0.149 1.00 0.00 C ATOM 700 C LYS A 49 3.762 6.860 0.919 1.00 0.00 C ATOM 701 O LYS A 49 4.817 7.255 1.421 1.00 0.00 O ATOM 702 CB LYS A 49 3.591 6.367 -1.562 1.00 0.00 C ATOM 703 CG LYS A 49 4.832 7.149 -2.032 1.00 0.00 C ATOM 704 CD LYS A 49 4.678 7.845 -3.398 1.00 0.00 C ATOM 705 CE LYS A 49 4.753 6.889 -4.596 1.00 0.00 C ATOM 706 NZ LYS A 49 4.844 7.600 -5.888 1.00 0.00 N ATOM 0 H LYS A 49 2.008 4.763 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 49 4.767 5.294 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.379 5.563 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.724 7.027 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.075 7.902 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.678 6.464 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.722 8.368 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.457 8.601 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.620 6.238 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.871 6.248 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.892 6.908 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.005 8.202 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.699 8.192 -5.899 1.00 0.00 H new ATOM 720 N SER A 50 2.577 7.384 1.235 1.00 0.00 N ATOM 721 CA SER A 50 2.360 8.410 2.244 1.00 0.00 C ATOM 722 C SER A 50 0.913 8.321 2.735 1.00 0.00 C ATOM 723 O SER A 50 0.049 7.839 2.000 1.00 0.00 O ATOM 724 CB SER A 50 2.628 9.794 1.633 1.00 0.00 C ATOM 725 OG SER A 50 3.894 9.855 0.984 1.00 0.00 O ATOM 0 H SER A 50 1.714 7.092 0.776 1.00 0.00 H new ATOM 0 HA SER A 50 3.038 8.260 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.842 10.032 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.586 10.551 2.417 1.00 0.00 H new ATOM 0 HG SER A 50 4.026 10.750 0.607 1.00 0.00 H new ATOM 731 N VAL A 51 0.635 8.848 3.925 1.00 0.00 N ATOM 732 CA VAL A 51 -0.706 9.124 4.432 1.00 0.00 C ATOM 733 C VAL A 51 -0.846 10.656 4.405 1.00 0.00 C ATOM 734 O VAL A 51 0.145 11.369 4.598 1.00 0.00 O ATOM 735 CB VAL A 51 -0.883 8.501 5.841 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.303 8.695 6.392 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.597 6.985 5.873 1.00 0.00 C ATOM 0 H VAL A 51 1.367 9.104 4.588 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.496 8.676 3.830 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.155 9.030 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.375 8.241 7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.523 9.760 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.021 8.222 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.738 6.609 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.281 6.471 5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.430 6.802 5.558 1.00 0.00 H new ATOM 747 N ILE A 52 -2.041 11.174 4.118 1.00 0.00 N ATOM 748 CA ILE A 52 -2.343 12.593 4.241 1.00 0.00 C ATOM 749 C ILE A 52 -2.656 12.853 5.722 1.00 0.00 C ATOM 750 O ILE A 52 -3.509 12.148 6.267 1.00 0.00 O ATOM 751 CB ILE A 52 -3.558 12.970 3.368 1.00 0.00 C ATOM 752 CG1 ILE A 52 -3.472 12.576 1.892 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.812 14.459 3.325 1.00 0.00 C ATOM 754 CD1 ILE A 52 -2.196 12.926 1.123 1.00 0.00 C ATOM 0 H ILE A 52 -2.829 10.614 3.792 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.500 13.196 3.903 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.346 12.406 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.615 11.497 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.311 13.041 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.679 14.662 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.002 14.825 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.939 14.965 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.287 12.583 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.049 14.006 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.342 12.439 1.594 1.00 0.00 H new ATOM 766 N PRO A 53 -2.028 13.847 6.374 1.00 0.00 N ATOM 767 CA PRO A 53 -2.412 14.242 7.721 1.00 0.00 C ATOM 768 C PRO A 53 -3.851 14.766 7.729 1.00 0.00 C ATOM 769 O PRO A 53 -4.387 15.173 6.700 1.00 0.00 O ATOM 770 CB PRO A 53 -1.412 15.320 8.138 1.00 0.00 C ATOM 771 CG PRO A 53 -0.908 15.902 6.820 1.00 0.00 C ATOM 772 CD PRO A 53 -1.022 14.744 5.833 1.00 0.00 C ATOM 0 HA PRO A 53 -2.389 13.405 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.886 16.084 8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.595 14.899 8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.510 16.755 6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.121 16.252 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.311 15.102 4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.066 14.233 5.720 1.00 0.00 H new ATOM 780 N ASP A 54 -4.479 14.782 8.904 1.00 0.00 N ATOM 781 CA ASP A 54 -5.857 15.201 9.160 1.00 0.00 C ATOM 782 C ASP A 54 -6.930 14.374 8.435 1.00 0.00 C ATOM 783 O ASP A 54 -8.113 14.522 8.754 1.00 0.00 O ATOM 784 CB ASP A 54 -6.086 16.692 8.848 1.00 0.00 C ATOM 785 CG ASP A 54 -4.923 17.629 9.158 1.00 0.00 C ATOM 786 OD1 ASP A 54 -4.571 17.789 10.347 1.00 0.00 O ATOM 787 OD2 ASP A 54 -4.392 18.260 8.215 1.00 0.00 O ATOM 0 H ASP A 54 -4.008 14.483 9.758 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.976 15.021 10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.331 16.787 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.958 17.030 9.409 1.00 0.00 H new ATOM 792 N GLY A 55 -6.568 13.543 7.456 1.00 0.00 N ATOM 793 CA GLY A 55 -7.488 12.918 6.519 1.00 0.00 C ATOM 794 C GLY A 55 -8.190 11.689 7.102 1.00 0.00 C ATOM 795 O GLY A 55 -7.874 11.252 8.211 1.00 0.00 O ATOM 0 H GLY A 55 -5.596 13.282 7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.238 13.647 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.942 12.627 5.622 1.00 0.00 H new ATOM 799 N PRO A 56 -9.095 11.054 6.332 1.00 0.00 N ATOM 800 CA PRO A 56 -9.884 9.923 6.812 1.00 0.00 C ATOM 801 C PRO A 56 -8.976 8.760 7.216 1.00 0.00 C ATOM 802 O PRO A 56 -9.253 8.068 8.188 1.00 0.00 O ATOM 803 CB PRO A 56 -10.826 9.517 5.666 1.00 0.00 C ATOM 804 CG PRO A 56 -10.295 10.245 4.426 1.00 0.00 C ATOM 805 CD PRO A 56 -9.334 11.321 4.925 1.00 0.00 C ATOM 0 HA PRO A 56 -10.455 10.196 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.823 8.437 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.855 9.807 5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.785 9.550 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.113 10.690 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.400 11.295 4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.761 12.314 4.788 1.00 0.00 H new ATOM 813 N ALA A 57 -7.892 8.544 6.468 1.00 0.00 N ATOM 814 CA ALA A 57 -6.942 7.479 6.735 1.00 0.00 C ATOM 815 C ALA A 57 -6.140 7.744 8.015 1.00 0.00 C ATOM 816 O ALA A 57 -5.835 6.794 8.732 1.00 0.00 O ATOM 817 CB ALA A 57 -6.022 7.350 5.520 1.00 0.00 C ATOM 0 H ALA A 57 -7.653 9.112 5.655 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.477 6.544 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.297 6.555 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.616 7.112 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.496 8.291 5.360 1.00 0.00 H new ATOM 823 N ALA A 58 -5.806 9.008 8.298 1.00 0.00 N ATOM 824 CA ALA A 58 -5.073 9.401 9.494 1.00 0.00 C ATOM 825 C ALA A 58 -5.955 9.289 10.736 1.00 0.00 C ATOM 826 O ALA A 58 -5.479 8.834 11.776 1.00 0.00 O ATOM 827 CB ALA A 58 -4.555 10.834 9.339 1.00 0.00 C ATOM 0 H ALA A 58 -6.043 9.793 7.691 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.227 8.726 9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.008 11.122 10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.892 10.890 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.397 11.511 9.194 1.00 0.00 H new ATOM 833 N GLN A 59 -7.228 9.692 10.645 1.00 0.00 N ATOM 834 CA GLN A 59 -8.190 9.485 11.723 1.00 0.00 C ATOM 835 C GLN A 59 -8.366 7.994 11.979 1.00 0.00 C ATOM 836 O GLN A 59 -8.327 7.546 13.123 1.00 0.00 O ATOM 837 CB GLN A 59 -9.561 10.063 11.362 1.00 0.00 C ATOM 838 CG GLN A 59 -9.615 11.591 11.314 1.00 0.00 C ATOM 839 CD GLN A 59 -11.029 12.130 11.079 1.00 0.00 C ATOM 840 OE1 GLN A 59 -11.267 13.318 11.281 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.989 11.322 10.659 1.00 0.00 N ATOM 0 H GLN A 59 -7.613 10.166 9.828 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.804 9.990 12.608 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.861 9.671 10.390 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.293 9.709 12.088 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.229 11.993 12.251 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.959 11.948 10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.789 10.336 10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.929 11.685 10.502 1.00 0.00 H new ATOM 850 N ASP A 60 -8.598 7.225 10.914 1.00 0.00 N ATOM 851 CA ASP A 60 -8.842 5.798 11.035 1.00 0.00 C ATOM 852 C ASP A 60 -7.633 5.087 11.633 1.00 0.00 C ATOM 853 O ASP A 60 -7.779 4.171 12.439 1.00 0.00 O ATOM 854 CB ASP A 60 -9.192 5.210 9.674 1.00 0.00 C ATOM 855 CG ASP A 60 -9.649 3.779 9.876 1.00 0.00 C ATOM 856 OD1 ASP A 60 -10.832 3.591 10.257 1.00 0.00 O ATOM 857 OD2 ASP A 60 -8.824 2.869 9.655 1.00 0.00 O ATOM 0 H ASP A 60 -8.621 7.574 9.956 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.685 5.648 11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.978 5.796 9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.326 5.242 9.013 1.00 0.00 H new ATOM 862 N GLY A 61 -6.431 5.553 11.296 1.00 0.00 N ATOM 863 CA GLY A 61 -5.205 5.286 12.022 1.00 0.00 C ATOM 864 C GLY A 61 -4.584 3.932 11.711 1.00 0.00 C ATOM 865 O GLY A 61 -3.423 3.728 12.056 1.00 0.00 O ATOM 0 H GLY A 61 -6.287 6.147 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.481 6.068 11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.408 5.344 13.091 1.00 0.00 H new ATOM 869 N LYS A 62 -5.295 3.033 11.014 1.00 0.00 N ATOM 870 CA LYS A 62 -4.655 1.825 10.490 1.00 0.00 C ATOM 871 C LYS A 62 -3.592 2.208 9.473 1.00 0.00 C ATOM 872 O LYS A 62 -2.510 1.624 9.476 1.00 0.00 O ATOM 873 CB LYS A 62 -5.654 0.864 9.825 1.00 0.00 C ATOM 874 CG LYS A 62 -6.289 -0.125 10.804 1.00 0.00 C ATOM 875 CD LYS A 62 -7.446 0.476 11.600 1.00 0.00 C ATOM 876 CE LYS A 62 -8.041 -0.601 12.503 1.00 0.00 C ATOM 877 NZ LYS A 62 -9.087 -0.036 13.373 1.00 0.00 N ATOM 0 H LYS A 62 -6.290 3.118 10.805 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.211 1.308 11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.441 1.445 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.144 0.308 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.649 -0.993 10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.526 -0.481 11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.095 1.317 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.208 0.863 10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.462 -1.401 11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.255 -1.045 13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.478 -0.786 13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.677 0.711 13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.846 0.366 12.787 1.00 0.00 H new ATOM 891 N MET A 63 -3.940 3.121 8.565 1.00 0.00 N ATOM 892 CA MET A 63 -3.088 3.519 7.464 1.00 0.00 C ATOM 893 C MET A 63 -1.872 4.227 8.022 1.00 0.00 C ATOM 894 O MET A 63 -2.014 5.286 8.636 1.00 0.00 O ATOM 895 CB MET A 63 -3.836 4.444 6.502 1.00 0.00 C ATOM 896 CG MET A 63 -3.480 4.113 5.052 1.00 0.00 C ATOM 897 SD MET A 63 -4.264 2.614 4.410 1.00 0.00 S ATOM 898 CE MET A 63 -5.979 3.108 4.687 1.00 0.00 C ATOM 0 H MET A 63 -4.837 3.607 8.582 1.00 0.00 H new ATOM 0 HA MET A 63 -2.783 2.632 6.908 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.911 4.341 6.651 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.583 5.482 6.716 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.763 4.955 4.420 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.398 4.005 4.972 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.622 2.613 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.282 2.821 5.694 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.069 4.188 4.575 1.00 0.00 H new ATOM 908 N GLU A 64 -0.697 3.638 7.820 1.00 0.00 N ATOM 909 CA GLU A 64 0.567 4.178 8.283 1.00 0.00 C ATOM 910 C GLU A 64 1.605 3.939 7.192 1.00 0.00 C ATOM 911 O GLU A 64 1.415 3.130 6.279 1.00 0.00 O ATOM 912 CB GLU A 64 0.961 3.572 9.639 1.00 0.00 C ATOM 913 CG GLU A 64 -0.074 3.965 10.713 1.00 0.00 C ATOM 914 CD GLU A 64 0.088 3.309 12.081 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.905 3.787 12.895 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.688 2.385 12.424 1.00 0.00 O ATOM 0 H GLU A 64 -0.600 2.755 7.319 1.00 0.00 H new ATOM 0 HA GLU A 64 0.491 5.251 8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.019 2.487 9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.951 3.924 9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.036 5.046 10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.068 3.725 10.334 1.00 0.00 H new ATOM 923 N THR A 65 2.676 4.717 7.238 1.00 0.00 N ATOM 924 CA THR A 65 3.514 4.935 6.071 1.00 0.00 C ATOM 925 C THR A 65 4.591 3.853 5.986 1.00 0.00 C ATOM 926 O THR A 65 5.447 3.740 6.870 1.00 0.00 O ATOM 927 CB THR A 65 4.083 6.350 6.143 1.00 0.00 C ATOM 928 OG1 THR A 65 3.051 7.278 6.426 1.00 0.00 O ATOM 929 CG2 THR A 65 4.785 6.781 4.856 1.00 0.00 C ATOM 0 H THR A 65 2.985 5.210 8.076 1.00 0.00 H new ATOM 0 HA THR A 65 2.935 4.855 5.151 1.00 0.00 H new ATOM 0 HB THR A 65 4.826 6.338 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.427 8.182 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.167 7.795 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.613 6.103 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.077 6.752 4.028 1.00 0.00 H new ATOM 937 N GLY A 66 4.547 3.075 4.905 1.00 0.00 N ATOM 938 CA GLY A 66 5.435 1.952 4.633 1.00 0.00 C ATOM 939 C GLY A 66 4.763 0.591 4.801 1.00 0.00 C ATOM 940 O GLY A 66 5.357 -0.410 4.412 1.00 0.00 O ATOM 0 H GLY A 66 3.861 3.219 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.815 2.038 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.295 2.009 5.300 1.00 0.00 H new ATOM 944 N ASP A 67 3.535 0.525 5.323 1.00 0.00 N ATOM 945 CA ASP A 67 2.791 -0.735 5.403 1.00 0.00 C ATOM 946 C ASP A 67 2.541 -1.272 3.977 1.00 0.00 C ATOM 947 O ASP A 67 2.479 -0.501 3.013 1.00 0.00 O ATOM 948 CB ASP A 67 1.445 -0.511 6.103 1.00 0.00 C ATOM 949 CG ASP A 67 1.367 -0.756 7.608 1.00 0.00 C ATOM 950 OD1 ASP A 67 2.400 -0.885 8.299 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.222 -0.819 8.110 1.00 0.00 O ATOM 0 H ASP A 67 3.034 1.331 5.697 1.00 0.00 H new ATOM 0 HA ASP A 67 3.374 -1.457 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.140 0.519 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.708 -1.154 5.622 1.00 0.00 H new ATOM 956 N VAL A 68 2.356 -2.586 3.840 1.00 0.00 N ATOM 957 CA VAL A 68 2.365 -3.331 2.578 1.00 0.00 C ATOM 958 C VAL A 68 0.928 -3.685 2.187 1.00 0.00 C ATOM 959 O VAL A 68 0.275 -4.415 2.927 1.00 0.00 O ATOM 960 CB VAL A 68 3.234 -4.599 2.756 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.224 -5.506 1.516 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.686 -4.247 3.123 1.00 0.00 C ATOM 0 H VAL A 68 2.188 -3.190 4.645 1.00 0.00 H new ATOM 0 HA VAL A 68 2.791 -2.728 1.776 1.00 0.00 H new ATOM 0 HB VAL A 68 2.781 -5.151 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.850 -6.379 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.203 -5.828 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.611 -4.955 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.264 -5.164 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.124 -3.639 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.700 -3.688 4.059 1.00 0.00 H new ATOM 972 N ILE A 69 0.427 -3.177 1.057 1.00 0.00 N ATOM 973 CA ILE A 69 -0.851 -3.513 0.444 1.00 0.00 C ATOM 974 C ILE A 69 -0.825 -4.994 0.078 1.00 0.00 C ATOM 975 O ILE A 69 -0.014 -5.433 -0.746 1.00 0.00 O ATOM 976 CB ILE A 69 -1.129 -2.600 -0.775 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.397 -1.135 -0.365 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.319 -3.079 -1.623 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.143 -0.321 -0.084 1.00 0.00 C ATOM 0 H ILE A 69 0.938 -2.478 0.517 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.672 -3.340 1.140 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.218 -2.656 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.962 -0.646 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.026 -1.129 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.465 -2.399 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.117 -4.082 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.220 -3.096 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.424 0.694 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.415 -0.782 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.480 -0.291 -0.978 1.00 0.00 H new ATOM 991 N VAL A 70 -1.747 -5.741 0.682 1.00 0.00 N ATOM 992 CA VAL A 70 -1.925 -7.162 0.427 1.00 0.00 C ATOM 993 C VAL A 70 -3.185 -7.391 -0.413 1.00 0.00 C ATOM 994 O VAL A 70 -3.133 -7.992 -1.489 1.00 0.00 O ATOM 995 CB VAL A 70 -2.005 -7.943 1.752 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.782 -9.419 1.464 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.045 -7.467 2.849 1.00 0.00 C ATOM 0 H VAL A 70 -2.399 -5.367 1.372 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.063 -7.529 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.000 -7.758 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.836 -9.984 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.550 -9.776 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.800 -9.557 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.179 -8.080 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.017 -7.557 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.256 -6.425 3.090 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.332 -6.934 0.092 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.638 -7.169 -0.500 1.00 0.00 C ATOM 1009 C TYR A 71 -6.363 -5.829 -0.591 1.00 0.00 C ATOM 1010 O TYR A 71 -6.134 -4.944 0.242 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.462 -8.169 0.335 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.884 -9.567 0.537 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.105 -9.863 1.673 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -6.227 -10.617 -0.335 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -4.673 -11.173 1.940 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -5.775 -11.925 -0.095 1.00 0.00 C ATOM 1017 CZ TYR A 71 -5.001 -12.213 1.046 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.613 -13.489 1.292 1.00 0.00 O ATOM 0 H TYR A 71 -4.373 -6.377 0.945 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.515 -7.605 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.628 -7.729 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.439 -8.275 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.835 -9.068 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.844 -10.415 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.092 -11.383 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.022 -12.714 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.928 -14.072 0.570 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.244 -5.690 -1.581 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.178 -4.581 -1.711 1.00 0.00 C ATOM 1030 C ILE A 72 -9.542 -5.224 -1.885 1.00 0.00 C ATOM 1031 O ILE A 72 -9.756 -6.016 -2.806 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.819 -3.616 -2.866 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.411 -3.032 -2.618 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.886 -2.502 -2.982 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.949 -2.002 -3.647 1.00 0.00 C ATOM 0 H ILE A 72 -7.327 -6.370 -2.337 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.150 -3.940 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.808 -4.156 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.394 -2.570 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.692 -3.851 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.622 -1.829 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.860 -2.950 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.929 -1.941 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.950 -1.651 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.927 -2.460 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.640 -1.159 -3.653 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.446 -4.850 -0.988 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.793 -5.344 -0.775 1.00 0.00 C ATOM 1049 C ASN A 73 -11.772 -6.836 -0.465 1.00 0.00 C ATOM 1050 O ASN A 73 -11.822 -7.214 0.706 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.749 -4.898 -1.902 1.00 0.00 C ATOM 1052 CG ASN A 73 -14.050 -4.282 -1.403 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.228 -4.017 -0.219 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.949 -3.949 -2.309 1.00 0.00 N ATOM 0 H ASN A 73 -10.224 -4.111 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.220 -4.882 0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.235 -4.174 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.983 -5.759 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.802 -3.466 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.791 -4.174 -3.291 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.608 -7.679 -1.478 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.476 -9.130 -1.373 1.00 0.00 C ATOM 1063 C GLU A 74 -10.409 -9.681 -2.333 1.00 0.00 C ATOM 1064 O GLU A 74 -10.093 -10.870 -2.299 1.00 0.00 O ATOM 1065 CB GLU A 74 -12.851 -9.773 -1.627 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.381 -9.513 -3.049 1.00 0.00 C ATOM 1067 CD GLU A 74 -14.708 -10.230 -3.289 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -15.709 -9.827 -2.657 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -14.740 -11.209 -4.074 1.00 0.00 O ATOM 0 H GLU A 74 -11.561 -7.354 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.138 -9.383 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.780 -10.848 -1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.567 -9.386 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.512 -8.441 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.646 -9.850 -3.780 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.854 -8.838 -3.204 1.00 0.00 N ATOM 1077 CA VAL A 75 -8.936 -9.233 -4.255 1.00 0.00 C ATOM 1078 C VAL A 75 -7.534 -9.189 -3.667 1.00 0.00 C ATOM 1079 O VAL A 75 -7.106 -8.154 -3.154 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.110 -8.288 -5.462 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.117 -8.559 -6.599 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.521 -8.448 -6.043 1.00 0.00 C ATOM 0 H VAL A 75 -10.040 -7.835 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.130 -10.242 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.931 -7.282 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.297 -7.858 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.099 -8.433 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.248 -9.579 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.641 -7.779 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.666 -9.479 -6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.259 -8.200 -5.280 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.813 -10.306 -3.741 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.383 -10.342 -3.516 1.00 0.00 C ATOM 1094 C CYS A 76 -4.748 -9.538 -4.637 1.00 0.00 C ATOM 1095 O CYS A 76 -4.906 -9.883 -5.815 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.891 -11.790 -3.502 1.00 0.00 C ATOM 1097 SG CYS A 76 -3.148 -11.846 -2.998 1.00 0.00 S ATOM 0 H CYS A 76 -7.216 -11.217 -3.961 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.113 -9.914 -2.551 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.496 -12.382 -2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.007 -12.232 -4.492 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.739 -13.080 -2.987 1.00 0.00 H new ATOM 1103 N VAL A 77 -4.031 -8.483 -4.264 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.317 -7.601 -5.177 1.00 0.00 C ATOM 1105 C VAL A 77 -1.816 -7.588 -4.865 1.00 0.00 C ATOM 1106 O VAL A 77 -1.097 -6.778 -5.433 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.918 -6.180 -5.144 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.368 -6.151 -5.644 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.843 -5.527 -3.757 1.00 0.00 C ATOM 0 H VAL A 77 -3.928 -8.211 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.435 -7.986 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.298 -5.597 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.747 -5.130 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.405 -6.510 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.983 -6.793 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.282 -4.530 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.393 -6.135 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.801 -5.452 -3.446 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.328 -8.429 -3.950 1.00 0.00 N ATOM 1120 CA LEU A 78 0.011 -8.290 -3.383 1.00 0.00 C ATOM 1121 C LEU A 78 1.148 -8.329 -4.408 1.00 0.00 C ATOM 1122 O LEU A 78 2.186 -7.733 -4.134 1.00 0.00 O ATOM 1123 CB LEU A 78 0.155 -9.206 -2.169 1.00 0.00 C ATOM 1124 CG LEU A 78 0.427 -10.695 -2.409 1.00 0.00 C ATOM 1125 CD1 LEU A 78 1.835 -10.920 -2.940 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.259 -11.416 -1.065 1.00 0.00 C ATOM 0 H LEU A 78 -1.851 -9.224 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 78 0.124 -7.272 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.965 -8.816 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.760 -9.126 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.269 -11.081 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.997 -11.986 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.957 -10.389 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.560 -10.547 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.446 -12.482 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.968 -11.011 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.757 -11.269 -0.698 1.00 0.00 H new ATOM 1138 N GLY A 79 0.942 -8.979 -5.558 1.00 0.00 N ATOM 1139 CA GLY A 79 1.861 -9.056 -6.688 1.00 0.00 C ATOM 1140 C GLY A 79 1.308 -8.360 -7.939 1.00 0.00 C ATOM 1141 O GLY A 79 1.815 -8.589 -9.036 1.00 0.00 O ATOM 0 H GLY A 79 0.078 -9.494 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.812 -8.600 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.064 -10.102 -6.917 1.00 0.00 H new ATOM 1145 N HIS A 80 0.217 -7.594 -7.810 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.397 -6.865 -8.919 1.00 0.00 C ATOM 1147 C HIS A 80 0.414 -5.609 -9.240 1.00 0.00 C ATOM 1148 O HIS A 80 1.223 -5.141 -8.436 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.856 -6.487 -8.583 1.00 0.00 C ATOM 1150 CG HIS A 80 -2.904 -7.026 -9.521 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.016 -6.351 -9.972 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.985 -8.308 -9.993 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.745 -7.203 -10.702 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.159 -8.410 -10.754 1.00 0.00 N ATOM 0 H HIS A 80 -0.267 -7.464 -6.922 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.403 -7.514 -9.795 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.080 -6.839 -7.576 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.935 -5.400 -8.565 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.244 -5.375 -9.783 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.273 -9.099 -9.812 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.679 -6.954 -11.184 1.00 0.00 H new ATOM 1162 N THR A 81 0.145 -5.024 -10.405 1.00 0.00 N ATOM 1163 CA THR A 81 0.771 -3.780 -10.797 1.00 0.00 C ATOM 1164 C THR A 81 0.123 -2.634 -10.030 1.00 0.00 C ATOM 1165 O THR A 81 -1.089 -2.640 -9.777 1.00 0.00 O ATOM 1166 CB THR A 81 0.651 -3.577 -12.315 1.00 0.00 C ATOM 1167 OG1 THR A 81 -0.692 -3.564 -12.759 1.00 0.00 O ATOM 1168 CG2 THR A 81 1.390 -4.677 -13.066 1.00 0.00 C ATOM 0 H THR A 81 -0.508 -5.401 -11.092 1.00 0.00 H new ATOM 0 HA THR A 81 1.833 -3.808 -10.554 1.00 0.00 H new ATOM 0 HB THR A 81 1.096 -2.604 -12.524 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.714 -3.431 -13.730 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.292 -4.514 -14.139 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.445 -4.660 -12.791 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.963 -5.645 -12.806 1.00 0.00 H new ATOM 1176 N HIS A 82 0.912 -1.600 -9.749 1.00 0.00 N ATOM 1177 CA HIS A 82 0.396 -0.317 -9.316 1.00 0.00 C ATOM 1178 C HIS A 82 -0.509 0.260 -10.403 1.00 0.00 C ATOM 1179 O HIS A 82 -1.545 0.818 -10.067 1.00 0.00 O ATOM 1180 CB HIS A 82 1.567 0.602 -8.947 1.00 0.00 C ATOM 1181 CG HIS A 82 1.187 1.758 -8.057 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.682 3.034 -8.160 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.353 1.725 -6.969 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.155 3.751 -7.160 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.309 3.014 -6.424 1.00 0.00 N ATOM 0 H HIS A 82 1.929 -1.635 -9.817 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.217 -0.423 -8.421 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.335 0.011 -8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.010 0.993 -9.863 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.332 3.374 -8.869 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.176 0.859 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.382 4.790 -6.970 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.203 0.053 -11.689 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.057 0.492 -12.786 1.00 0.00 C ATOM 1195 C ALA A 83 -2.488 -0.044 -12.648 1.00 0.00 C ATOM 1196 O ALA A 83 -3.442 0.721 -12.826 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.434 0.069 -14.121 1.00 0.00 C ATOM 0 H ALA A 83 0.646 -0.424 -11.993 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.127 1.579 -12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.073 0.397 -14.941 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.551 0.525 -14.223 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.336 -1.016 -14.149 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.652 -1.332 -12.327 1.00 0.00 N ATOM 1204 CA ASP A 84 -3.963 -1.925 -12.084 1.00 0.00 C ATOM 1205 C ASP A 84 -4.546 -1.413 -10.767 1.00 0.00 C ATOM 1206 O ASP A 84 -5.616 -0.837 -10.772 1.00 0.00 O ATOM 1207 CB ASP A 84 -3.905 -3.456 -12.106 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.316 -4.048 -12.126 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -5.909 -4.202 -13.225 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.816 -4.448 -11.059 1.00 0.00 O ATOM 0 H ASP A 84 -1.878 -1.989 -12.229 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.624 -1.618 -12.895 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.351 -3.792 -12.983 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.365 -3.818 -11.231 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.857 -1.547 -9.639 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.282 -1.181 -8.284 1.00 0.00 C ATOM 1217 C VAL A 85 -4.705 0.281 -8.189 1.00 0.00 C ATOM 1218 O VAL A 85 -5.715 0.589 -7.554 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.151 -1.583 -7.306 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.092 -0.800 -5.987 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.316 -3.071 -6.994 1.00 0.00 C ATOM 0 H VAL A 85 -2.917 -1.943 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.183 -1.726 -8.005 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.215 -1.345 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.262 -1.167 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.946 0.259 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.026 -0.936 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.533 -3.387 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.291 -3.241 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.242 -3.647 -7.917 1.00 0.00 H new ATOM 1231 N VAL A 86 -4.010 1.197 -8.852 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.454 2.574 -8.936 1.00 0.00 C ATOM 1233 C VAL A 86 -5.821 2.623 -9.631 1.00 0.00 C ATOM 1234 O VAL A 86 -6.687 3.362 -9.163 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.365 3.436 -9.604 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.874 4.856 -9.872 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.139 3.540 -8.676 1.00 0.00 C ATOM 0 H VAL A 86 -3.135 1.006 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.600 3.003 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.098 2.959 -10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.085 5.442 -10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.739 4.814 -10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.160 5.324 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.372 4.150 -9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.434 4.000 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.742 2.543 -8.485 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.071 1.814 -10.670 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.375 1.801 -11.320 1.00 0.00 C ATOM 1249 C LYS A 87 -8.427 1.265 -10.350 1.00 0.00 C ATOM 1250 O LYS A 87 -9.541 1.777 -10.317 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.296 1.044 -12.659 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.926 -0.352 -12.686 1.00 0.00 C ATOM 1253 CD LYS A 87 -7.487 -1.196 -13.886 1.00 0.00 C ATOM 1254 CE LYS A 87 -8.243 -0.900 -15.180 1.00 0.00 C ATOM 1255 NZ LYS A 87 -7.663 0.208 -15.967 1.00 0.00 N ATOM 0 H LYS A 87 -5.390 1.168 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.688 2.813 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.778 1.652 -13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.247 0.952 -12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.666 -0.878 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.011 -0.252 -12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.423 -1.035 -14.057 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.614 -2.250 -13.639 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.260 -1.800 -15.794 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.278 -0.659 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.042 0.181 -16.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.910 1.116 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.628 0.108 -15.997 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.060 0.283 -9.520 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.942 -0.358 -8.560 1.00 0.00 C ATOM 1271 C LEU A 88 -9.450 0.699 -7.578 1.00 0.00 C ATOM 1272 O LEU A 88 -10.650 0.769 -7.315 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.205 -1.514 -7.846 1.00 0.00 C ATOM 1274 CG LEU A 88 -7.649 -2.641 -8.740 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -6.962 -3.717 -7.892 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -8.683 -3.288 -9.660 1.00 0.00 C ATOM 0 H LEU A 88 -7.112 -0.093 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.801 -0.797 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.376 -1.090 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.890 -1.959 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.924 -2.155 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.577 -4.502 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.138 -3.271 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.682 -4.145 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.205 -4.069 -10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.481 -3.724 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.101 -2.533 -10.326 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.561 1.558 -7.069 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.932 2.675 -6.200 1.00 0.00 C ATOM 1290 C PHE A 89 -9.775 3.733 -6.938 1.00 0.00 C ATOM 1291 O PHE A 89 -10.601 4.408 -6.318 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.660 3.319 -5.623 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.940 2.525 -4.542 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.551 2.338 -3.287 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.633 2.035 -4.748 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.847 1.737 -2.231 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.942 1.402 -3.700 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.535 1.280 -2.432 1.00 0.00 C ATOM 0 H PHE A 89 -7.559 1.496 -7.250 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.549 2.280 -5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.962 3.495 -6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.924 4.294 -5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.571 2.660 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.162 2.147 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.315 1.626 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.951 1.008 -3.870 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.984 0.837 -1.616 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.565 3.912 -8.245 1.00 0.00 N ATOM 1309 CA GLN A 90 -10.237 4.915 -9.076 1.00 0.00 C ATOM 1310 C GLN A 90 -11.631 4.462 -9.557 1.00 0.00 C ATOM 1311 O GLN A 90 -12.383 5.244 -10.144 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.307 5.284 -10.245 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.108 6.122 -9.749 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.083 6.481 -10.828 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -6.964 5.850 -11.880 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -6.292 7.514 -10.591 1.00 0.00 N ATOM 0 H GLN A 90 -8.901 3.344 -8.771 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.428 5.801 -8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.947 4.376 -10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.864 5.846 -10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.486 7.044 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.602 5.571 -8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.386 8.040 -9.722 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.588 7.785 -11.277 1.00 0.00 H new ATOM 1325 N SER A 91 -12.014 3.212 -9.303 1.00 0.00 N ATOM 1326 CA SER A 91 -13.355 2.672 -9.549 1.00 0.00 C ATOM 1327 C SER A 91 -14.300 2.807 -8.349 1.00 0.00 C ATOM 1328 O SER A 91 -15.395 2.243 -8.378 1.00 0.00 O ATOM 1329 CB SER A 91 -13.224 1.210 -9.976 1.00 0.00 C ATOM 1330 OG SER A 91 -12.489 1.126 -11.181 1.00 0.00 O ATOM 0 H SER A 91 -11.378 2.520 -8.906 1.00 0.00 H new ATOM 0 HA SER A 91 -13.809 3.264 -10.343 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.725 0.637 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.213 0.771 -10.111 1.00 0.00 H new ATOM 0 HG SER A 91 -11.551 1.350 -11.008 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.901 3.511 -7.289 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.684 3.664 -6.066 1.00 0.00 C ATOM 1338 C VAL A 92 -15.342 5.056 -6.132 1.00 0.00 C ATOM 1339 O VAL A 92 -14.605 6.042 -6.052 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.763 3.446 -4.836 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.548 3.317 -3.520 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.903 2.177 -4.988 1.00 0.00 C ATOM 0 H VAL A 92 -13.006 4.000 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.476 2.922 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.132 4.334 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.852 3.166 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.123 4.227 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.226 2.466 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.271 2.058 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.552 1.307 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.276 2.267 -5.875 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.663 5.194 -6.357 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.342 6.494 -6.403 1.00 0.00 C ATOM 1354 C PRO A 93 -17.642 7.077 -5.005 1.00 0.00 C ATOM 1355 O PRO A 93 -17.431 6.426 -3.975 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.615 6.238 -7.216 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.945 4.781 -6.915 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.567 4.139 -6.791 1.00 0.00 C ATOM 0 HA PRO A 93 -16.709 7.254 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.424 6.903 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.450 6.400 -8.281 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.523 4.679 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.532 4.326 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.583 3.320 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.246 3.720 -7.745 1.00 0.00 H new ATOM 1366 N ILE A 94 -18.118 8.331 -4.964 1.00 0.00 N ATOM 1367 CA ILE A 94 -18.382 9.096 -3.744 1.00 0.00 C ATOM 1368 C ILE A 94 -19.600 8.535 -3.008 1.00 0.00 C ATOM 1369 O ILE A 94 -20.755 8.836 -3.323 1.00 0.00 O ATOM 1370 CB ILE A 94 -18.467 10.618 -3.993 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -17.244 11.155 -4.774 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -18.529 11.325 -2.627 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -17.471 11.224 -6.287 1.00 0.00 C ATOM 0 H ILE A 94 -18.336 8.855 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 94 -17.522 8.973 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 94 -19.355 10.816 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.995 12.150 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.384 10.516 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -18.590 12.403 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -19.409 10.985 -2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.632 11.089 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -16.574 11.609 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -17.690 10.226 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -18.311 11.886 -6.499 1.00 0.00 H new ATOM 1385 N GLY A 95 -19.315 7.746 -1.976 1.00 0.00 N ATOM 1386 CA GLY A 95 -20.290 6.974 -1.233 1.00 0.00 C ATOM 1387 C GLY A 95 -19.682 5.655 -0.802 1.00 0.00 C ATOM 1388 O GLY A 95 -19.833 5.267 0.356 1.00 0.00 O ATOM 0 H GLY A 95 -18.364 7.627 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.621 7.535 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -21.171 6.794 -1.849 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.929 5.005 -1.687 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.590 3.603 -1.497 1.00 0.00 C ATOM 1394 C GLN A 96 -17.372 3.490 -0.589 1.00 0.00 C ATOM 1395 O GLN A 96 -16.577 4.422 -0.453 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.286 2.952 -2.855 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.475 2.956 -3.823 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.618 2.016 -3.471 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -20.580 1.237 -2.519 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.673 2.056 -4.260 1.00 0.00 N ATOM 0 H GLN A 96 -18.547 5.425 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.433 3.089 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.450 3.475 -3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -17.967 1.923 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.869 3.971 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.111 2.698 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.697 2.704 -5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.465 1.439 -4.084 1.00 0.00 H new ATOM 1409 N SER A 97 -17.181 2.318 -0.011 1.00 0.00 N ATOM 1410 CA SER A 97 -16.004 1.928 0.729 1.00 0.00 C ATOM 1411 C SER A 97 -15.385 0.718 0.047 1.00 0.00 C ATOM 1412 O SER A 97 -16.042 0.008 -0.721 1.00 0.00 O ATOM 1413 CB SER A 97 -16.374 1.639 2.192 1.00 0.00 C ATOM 1414 OG SER A 97 -17.767 1.659 2.443 1.00 0.00 O ATOM 0 H SER A 97 -17.881 1.577 -0.050 1.00 0.00 H new ATOM 0 HA SER A 97 -15.271 2.734 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.978 0.663 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.888 2.375 2.832 1.00 0.00 H new ATOM 0 HG SER A 97 -17.932 1.466 3.390 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.115 0.488 0.346 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.399 -0.732 0.030 1.00 0.00 C ATOM 1422 C VAL A 98 -12.640 -1.120 1.296 1.00 0.00 C ATOM 1423 O VAL A 98 -12.216 -0.233 2.051 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.482 -0.516 -1.195 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.315 -0.216 -2.444 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.449 0.601 -0.992 1.00 0.00 C ATOM 0 H VAL A 98 -13.537 1.173 0.833 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.066 -1.545 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.930 -1.447 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.652 -0.067 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.983 -1.054 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.904 0.686 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.838 0.699 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.964 1.542 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.810 0.356 -0.144 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.479 -2.420 1.522 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.662 -2.935 2.612 1.00 0.00 C ATOM 1438 C ASN A 99 -10.215 -2.956 2.133 1.00 0.00 C ATOM 1439 O ASN A 99 -9.949 -2.941 0.929 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.108 -4.335 3.069 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.488 -4.371 3.712 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -14.258 -3.415 3.658 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.819 -5.464 4.368 1.00 0.00 N ATOM 0 H ASN A 99 -12.913 -3.146 0.952 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.774 -2.288 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.103 -5.005 2.209 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.378 -4.723 3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.722 -5.523 4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.172 -6.252 4.406 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.264 -2.943 3.058 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.841 -2.873 2.773 1.00 0.00 C ATOM 1452 C LEU A 100 -7.129 -3.681 3.854 1.00 0.00 C ATOM 1453 O LEU A 100 -7.214 -3.295 5.022 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.386 -1.398 2.801 1.00 0.00 C ATOM 1455 CG LEU A 100 -8.046 -0.455 1.770 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.779 1.001 2.148 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.566 -0.698 0.336 1.00 0.00 C ATOM 0 H LEU A 100 -9.470 -2.982 4.056 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.608 -3.276 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.576 -1.001 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.307 -1.370 2.648 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.114 -0.670 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.248 1.659 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.194 1.203 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.704 1.182 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.068 -0.004 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.489 -0.542 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.800 -1.721 0.043 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.448 -4.774 3.500 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.495 -5.456 4.382 1.00 0.00 C ATOM 1471 C VAL A 101 -4.128 -4.866 4.073 1.00 0.00 C ATOM 1472 O VAL A 101 -3.689 -4.961 2.917 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.436 -6.975 4.110 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.533 -7.745 5.085 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.826 -7.624 4.169 1.00 0.00 C ATOM 0 H VAL A 101 -6.543 -5.215 2.585 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.799 -5.318 5.420 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.016 -7.045 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.543 -8.805 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.514 -7.364 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.900 -7.613 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.737 -8.692 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.257 -7.472 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.472 -7.169 3.418 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.441 -4.334 5.087 1.00 0.00 N ATOM 1486 CA LEU A 102 -2.001 -4.149 5.002 1.00 0.00 C ATOM 1487 C LEU A 102 -1.281 -5.140 5.923 1.00 0.00 C ATOM 1488 O LEU A 102 -1.863 -5.632 6.893 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.544 -2.711 5.302 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.268 -1.545 4.595 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.558 -0.201 4.812 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.319 -1.691 3.086 1.00 0.00 C ATOM 0 H LEU A 102 -3.859 -4.028 5.966 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.730 -4.344 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.632 -2.553 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.485 -2.642 5.055 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.265 -1.571 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.105 0.587 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.520 0.022 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.544 -0.257 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.842 -0.837 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.304 -1.733 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.848 -2.608 2.827 1.00 0.00 H new ATOM 1504 N CYS A 103 0.000 -5.391 5.644 1.00 0.00 N ATOM 1505 CA CYS A 103 0.946 -6.041 6.543 1.00 0.00 C ATOM 1506 C CYS A 103 1.891 -4.968 7.075 1.00 0.00 C ATOM 1507 O CYS A 103 2.395 -4.139 6.312 1.00 0.00 O ATOM 1508 CB CYS A 103 1.734 -7.131 5.800 1.00 0.00 C ATOM 1509 SG CYS A 103 2.953 -7.939 6.891 1.00 0.00 S ATOM 0 H CYS A 103 0.419 -5.136 4.750 1.00 0.00 H new ATOM 0 HA CYS A 103 0.417 -6.522 7.365 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.043 -7.878 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.246 -6.691 4.944 1.00 0.00 H new ATOM 0 HG CYS A 103 2.470 -9.067 7.321 1.00 0.00 H new ATOM 1515 N ARG A 104 2.158 -5.018 8.376 1.00 0.00 N ATOM 1516 CA ARG A 104 3.102 -4.159 9.072 1.00 0.00 C ATOM 1517 C ARG A 104 4.537 -4.638 8.928 1.00 0.00 C ATOM 1518 O ARG A 104 4.804 -5.830 8.749 1.00 0.00 O ATOM 1519 CB ARG A 104 2.698 -4.124 10.555 1.00 0.00 C ATOM 1520 CG ARG A 104 3.346 -2.966 11.324 1.00 0.00 C ATOM 1521 CD ARG A 104 2.334 -2.105 12.076 1.00 0.00 C ATOM 1522 NE ARG A 104 1.506 -1.315 11.152 1.00 0.00 N ATOM 1523 CZ ARG A 104 0.641 -0.369 11.520 1.00 0.00 C ATOM 1524 NH1 ARG A 104 0.474 -0.041 12.795 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.067 0.257 10.597 1.00 0.00 N ATOM 0 H ARG A 104 1.702 -5.687 8.997 1.00 0.00 H new ATOM 0 HA ARG A 104 3.066 -3.163 8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.614 -4.041 10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.978 -5.067 11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.069 -3.369 12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.900 -2.339 10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.694 -2.743 12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.859 -1.436 12.758 1.00 0.00 H new ATOM 0 HE ARG A 104 1.601 -1.505 10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.014 -0.516 13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.194 0.686 13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.051 0.015 9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.731 0.982 10.868 1.00 0.00 H new ATOM 1539 N GLY A 105 5.473 -3.707 9.086 1.00 0.00 N ATOM 1540 CA GLY A 105 6.803 -4.013 9.577 1.00 0.00 C ATOM 1541 C GLY A 105 7.758 -4.365 8.455 1.00 0.00 C ATOM 1542 O GLY A 105 8.605 -5.247 8.620 1.00 0.00 O ATOM 0 H GLY A 105 5.326 -2.720 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.192 -3.156 10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.747 -4.845 10.279 1.00 0.00 H new ATOM 1546 N TYR A 106 7.603 -3.705 7.313 1.00 0.00 N ATOM 1547 CA TYR A 106 8.640 -3.615 6.291 1.00 0.00 C ATOM 1548 C TYR A 106 9.023 -2.136 6.144 1.00 0.00 C ATOM 1549 O TYR A 106 8.179 -1.278 6.425 1.00 0.00 O ATOM 1550 CB TYR A 106 8.128 -4.246 4.989 1.00 0.00 C ATOM 1551 CG TYR A 106 8.181 -5.768 4.999 1.00 0.00 C ATOM 1552 CD1 TYR A 106 9.392 -6.412 4.676 1.00 0.00 C ATOM 1553 CD2 TYR A 106 7.053 -6.539 5.354 1.00 0.00 C ATOM 1554 CE1 TYR A 106 9.486 -7.814 4.700 1.00 0.00 C ATOM 1555 CE2 TYR A 106 7.131 -7.946 5.359 1.00 0.00 C ATOM 1556 CZ TYR A 106 8.348 -8.581 5.030 1.00 0.00 C ATOM 1557 OH TYR A 106 8.412 -9.936 5.104 1.00 0.00 O ATOM 0 H TYR A 106 6.745 -3.212 7.068 1.00 0.00 H new ATOM 0 HA TYR A 106 9.537 -4.169 6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.100 -3.926 4.817 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.722 -3.874 4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.256 -5.823 4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.128 -6.050 5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 106 10.422 -8.301 4.468 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.263 -8.536 5.614 1.00 0.00 H new ATOM 0 HH TYR A 106 7.531 -10.292 5.345 1.00 0.00 H new ATOM 1567 N PRO A 107 10.273 -1.807 5.769 1.00 0.00 N ATOM 1568 CA PRO A 107 10.681 -0.425 5.554 1.00 0.00 C ATOM 1569 C PRO A 107 10.010 0.162 4.318 1.00 0.00 C ATOM 1570 O PRO A 107 9.373 -0.545 3.533 1.00 0.00 O ATOM 1571 CB PRO A 107 12.200 -0.444 5.390 1.00 0.00 C ATOM 1572 CG PRO A 107 12.499 -1.864 4.910 1.00 0.00 C ATOM 1573 CD PRO A 107 11.391 -2.711 5.537 1.00 0.00 C ATOM 0 HA PRO A 107 10.383 0.202 6.394 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.533 0.301 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.706 -0.225 6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.483 -1.929 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.486 -2.195 5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.102 -3.526 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.727 -3.163 6.470 1.00 0.00 H new ATOM 1581 N LEU A 108 10.183 1.469 4.133 1.00 0.00 N ATOM 1582 CA LEU A 108 9.741 2.122 2.906 1.00 0.00 C ATOM 1583 C LEU A 108 10.619 1.642 1.741 1.00 0.00 C ATOM 1584 O LEU A 108 11.821 1.450 1.923 1.00 0.00 O ATOM 1585 CB LEU A 108 9.788 3.649 3.046 1.00 0.00 C ATOM 1586 CG LEU A 108 8.572 4.204 3.807 1.00 0.00 C ATOM 1587 CD1 LEU A 108 8.915 5.536 4.479 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.389 4.390 2.844 1.00 0.00 C ATOM 0 H LEU A 108 10.622 2.091 4.812 1.00 0.00 H new ATOM 0 HA LEU A 108 8.704 1.853 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.701 3.936 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.831 4.101 2.055 1.00 0.00 H new ATOM 0 HG LEU A 108 8.294 3.489 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.041 5.911 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.733 5.388 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.215 6.259 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.532 4.783 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 108 7.668 5.089 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.126 3.430 2.401 1.00 0.00 H new ATOM 1600 N PRO A 109 10.041 1.461 0.541 1.00 0.00 N ATOM 1601 CA PRO A 109 10.711 0.786 -0.566 1.00 0.00 C ATOM 1602 C PRO A 109 11.736 1.647 -1.295 1.00 0.00 C ATOM 1603 O PRO A 109 12.701 1.126 -1.857 1.00 0.00 O ATOM 1604 CB PRO A 109 9.600 0.436 -1.547 1.00 0.00 C ATOM 1605 CG PRO A 109 8.508 1.468 -1.275 1.00 0.00 C ATOM 1606 CD PRO A 109 8.648 1.723 0.221 1.00 0.00 C ATOM 0 HA PRO A 109 11.264 -0.069 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 109 9.950 0.491 -2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.235 -0.579 -1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.658 2.378 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.519 1.087 -1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.376 2.749 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.987 1.071 0.792 1.00 0.00 H new