USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 382 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.019) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= -3.21! (180deg=-3.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= -0.698 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -106:sc= 1.04 (180deg=0.0502) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 57 HIS : no HE2:sc= 0.283 K(o=0.28,f=-2.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 173:sc= 0 (180deg=-0.059) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.00566 X(o=-0.0057,f=-0.12) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 63.319 12.371 17.373 1.00 0.00 N ATOM 101 CA PHE A 9 62.319 12.395 18.434 1.00 0.00 C ATOM 102 C PHE A 9 62.091 10.996 18.997 1.00 0.00 C ATOM 103 O PHE A 9 61.692 10.838 20.151 1.00 0.00 O ATOM 104 CB PHE A 9 61.002 12.968 17.908 1.00 0.00 C ATOM 105 CG PHE A 9 60.449 14.077 18.757 1.00 0.00 C ATOM 106 CD1 PHE A 9 61.223 15.183 19.064 1.00 0.00 C ATOM 107 CD2 PHE A 9 59.154 14.011 19.248 1.00 0.00 C ATOM 108 CE1 PHE A 9 60.718 16.207 19.845 1.00 0.00 C ATOM 109 CE2 PHE A 9 58.644 15.030 20.028 1.00 0.00 C ATOM 110 CZ PHE A 9 59.426 16.129 20.328 1.00 0.00 C ATOM 0 HA PHE A 9 62.690 13.033 19.236 1.00 0.00 H new ATOM 0 HB2 PHE A 9 61.155 13.339 16.895 1.00 0.00 H new ATOM 0 HB3 PHE A 9 60.265 12.167 17.846 1.00 0.00 H new ATOM 0 HD1 PHE A 9 62.234 15.247 18.689 1.00 0.00 H new ATOM 0 HD2 PHE A 9 58.538 13.154 19.018 1.00 0.00 H new ATOM 0 HE1 PHE A 9 61.332 17.065 20.076 1.00 0.00 H new ATOM 0 HE2 PHE A 9 57.633 14.968 20.404 1.00 0.00 H new ATOM 0 HZ PHE A 9 59.028 16.926 20.939 1.00 0.00 H new ATOM 119 N GLY A 10 62.345 9.983 18.174 1.00 0.00 N ATOM 120 CA GLY A 10 62.161 8.610 18.608 1.00 0.00 C ATOM 121 C GLY A 10 62.955 8.285 19.857 1.00 0.00 C ATOM 122 O GLY A 10 62.394 7.845 20.860 1.00 0.00 O ATOM 0 H GLY A 10 62.675 10.089 17.215 1.00 0.00 H new ATOM 0 HA2 GLY A 10 61.103 8.431 18.797 1.00 0.00 H new ATOM 0 HA3 GLY A 10 62.460 7.936 17.806 1.00 0.00 H new ATOM 126 N GLU A 11 64.266 8.501 19.796 1.00 0.00 N ATOM 127 CA GLU A 11 65.138 8.224 20.931 1.00 0.00 C ATOM 128 C GLU A 11 64.628 8.919 22.191 1.00 0.00 C ATOM 129 O GLU A 11 64.465 8.291 23.237 1.00 0.00 O ATOM 130 CB GLU A 11 66.568 8.680 20.627 1.00 0.00 C ATOM 131 CG GLU A 11 67.586 7.553 20.658 1.00 0.00 C ATOM 132 CD GLU A 11 68.822 7.904 21.462 1.00 0.00 C ATOM 133 OE1 GLU A 11 69.671 8.658 20.943 1.00 0.00 O ATOM 134 OE2 GLU A 11 68.941 7.425 22.609 1.00 0.00 O ATOM 0 H GLU A 11 64.746 8.866 18.974 1.00 0.00 H new ATOM 0 HA GLU A 11 65.136 7.148 21.104 1.00 0.00 H new ATOM 0 HB2 GLU A 11 66.589 9.150 19.644 1.00 0.00 H new ATOM 0 HB3 GLU A 11 66.859 9.441 21.351 1.00 0.00 H new ATOM 0 HG2 GLU A 11 67.123 6.662 21.082 1.00 0.00 H new ATOM 0 HG3 GLU A 11 67.879 7.305 19.638 1.00 0.00 H new ATOM 139 N LYS A 12 64.379 10.219 22.083 1.00 0.00 N ATOM 140 CA LYS A 12 63.887 11.001 23.211 1.00 0.00 C ATOM 141 C LYS A 12 62.556 10.452 23.714 1.00 0.00 C ATOM 142 O LYS A 12 62.348 10.309 24.918 1.00 0.00 O ATOM 143 CB LYS A 12 63.726 12.469 22.810 1.00 0.00 C ATOM 144 CG LYS A 12 64.942 13.043 22.104 1.00 0.00 C ATOM 145 CD LYS A 12 65.258 14.447 22.589 1.00 0.00 C ATOM 146 CE LYS A 12 65.895 15.287 21.493 1.00 0.00 C ATOM 147 NZ LYS A 12 67.059 16.067 21.996 1.00 0.00 N ATOM 0 H LYS A 12 64.510 10.754 21.225 1.00 0.00 H new ATOM 0 HA LYS A 12 64.618 10.929 24.016 1.00 0.00 H new ATOM 0 HB2 LYS A 12 62.858 12.566 22.158 1.00 0.00 H new ATOM 0 HB3 LYS A 12 63.521 13.060 23.702 1.00 0.00 H new ATOM 0 HG2 LYS A 12 65.802 12.396 22.275 1.00 0.00 H new ATOM 0 HG3 LYS A 12 64.765 13.060 21.029 1.00 0.00 H new ATOM 0 HD2 LYS A 12 64.342 14.929 22.932 1.00 0.00 H new ATOM 0 HD3 LYS A 12 65.930 14.394 23.445 1.00 0.00 H new ATOM 0 HE2 LYS A 12 66.218 14.638 20.679 1.00 0.00 H new ATOM 0 HE3 LYS A 12 65.152 15.969 21.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 67.465 16.626 21.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 66.747 16.706 22.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 67.780 15.415 22.366 1.00 0.00 H new ATOM 157 N ALA A 13 61.659 10.142 22.784 1.00 0.00 N ATOM 158 CA ALA A 13 60.349 9.607 23.133 1.00 0.00 C ATOM 159 C ALA A 13 60.480 8.393 24.047 1.00 0.00 C ATOM 160 O ALA A 13 59.862 8.335 25.111 1.00 0.00 O ATOM 161 CB ALA A 13 59.575 9.242 21.876 1.00 0.00 C ATOM 0 H ALA A 13 61.816 10.252 21.782 1.00 0.00 H new ATOM 0 HA ALA A 13 59.800 10.379 23.672 1.00 0.00 H new ATOM 0 HB1 ALA A 13 58.599 8.844 22.153 1.00 0.00 H new ATOM 0 HB2 ALA A 13 59.443 10.131 21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 13 60.128 8.489 21.314 1.00 0.00 H new ATOM 167 N SER A 14 61.287 7.424 23.624 1.00 0.00 N ATOM 168 CA SER A 14 61.494 6.208 24.403 1.00 0.00 C ATOM 169 C SER A 14 62.112 6.532 25.760 1.00 0.00 C ATOM 170 O SER A 14 61.927 5.796 26.730 1.00 0.00 O ATOM 171 CB SER A 14 62.393 5.235 23.640 1.00 0.00 C ATOM 172 OG SER A 14 61.624 4.267 22.946 1.00 0.00 O ATOM 0 H SER A 14 61.807 7.457 22.747 1.00 0.00 H new ATOM 0 HA SER A 14 60.523 5.741 24.567 1.00 0.00 H new ATOM 0 HB2 SER A 14 63.013 5.786 22.933 1.00 0.00 H new ATOM 0 HB3 SER A 14 63.068 4.737 24.336 1.00 0.00 H new ATOM 0 HG SER A 14 62.222 3.658 22.465 1.00 0.00 H new ATOM 177 N GLU A 15 62.849 7.637 25.819 1.00 0.00 N ATOM 178 CA GLU A 15 63.496 8.057 27.057 1.00 0.00 C ATOM 179 C GLU A 15 62.505 8.764 27.976 1.00 0.00 C ATOM 180 O GLU A 15 62.592 8.656 29.199 1.00 0.00 O ATOM 181 CB GLU A 15 64.676 8.982 26.753 1.00 0.00 C ATOM 182 CG GLU A 15 65.904 8.253 26.234 1.00 0.00 C ATOM 183 CD GLU A 15 67.149 8.558 27.045 1.00 0.00 C ATOM 184 OE1 GLU A 15 67.235 8.085 28.198 1.00 0.00 O ATOM 185 OE2 GLU A 15 68.036 9.269 26.528 1.00 0.00 O ATOM 0 H GLU A 15 63.013 8.257 25.025 1.00 0.00 H new ATOM 0 HA GLU A 15 63.864 7.166 27.565 1.00 0.00 H new ATOM 0 HB2 GLU A 15 64.365 9.723 26.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 64.943 9.526 27.659 1.00 0.00 H new ATOM 0 HG2 GLU A 15 65.718 7.179 26.250 1.00 0.00 H new ATOM 0 HG3 GLU A 15 66.075 8.531 25.194 1.00 0.00 H new ATOM 190 N ALA A 16 61.565 9.487 27.379 1.00 0.00 N ATOM 191 CA ALA A 16 60.555 10.210 28.143 1.00 0.00 C ATOM 192 C ALA A 16 59.583 9.249 28.818 1.00 0.00 C ATOM 193 O ALA A 16 58.931 9.599 29.802 1.00 0.00 O ATOM 194 CB ALA A 16 59.803 11.178 27.240 1.00 0.00 C ATOM 0 H ALA A 16 61.481 9.588 26.368 1.00 0.00 H new ATOM 0 HA ALA A 16 61.063 10.777 28.923 1.00 0.00 H new ATOM 0 HB1 ALA A 16 59.052 11.711 27.823 1.00 0.00 H new ATOM 0 HB2 ALA A 16 60.504 11.894 26.810 1.00 0.00 H new ATOM 0 HB3 ALA A 16 59.314 10.623 26.439 1.00 0.00 H new ATOM 200 N LEU A 17 59.491 8.037 28.282 1.00 0.00 N ATOM 201 CA LEU A 17 58.597 7.025 28.833 1.00 0.00 C ATOM 202 C LEU A 17 59.361 6.052 29.727 1.00 0.00 C ATOM 203 O LEU A 17 58.819 5.533 30.704 1.00 0.00 O ATOM 204 CB LEU A 17 57.903 6.259 27.704 1.00 0.00 C ATOM 205 CG LEU A 17 58.825 5.584 26.686 1.00 0.00 C ATOM 206 CD1 LEU A 17 59.284 4.228 27.199 1.00 0.00 C ATOM 207 CD2 LEU A 17 58.121 5.437 25.345 1.00 0.00 C ATOM 0 H LEU A 17 60.024 7.732 27.468 1.00 0.00 H new ATOM 0 HA LEU A 17 57.844 7.531 29.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 57.265 5.496 28.149 1.00 0.00 H new ATOM 0 HB3 LEU A 17 57.250 6.950 27.171 1.00 0.00 H new ATOM 0 HG LEU A 17 59.704 6.214 26.546 1.00 0.00 H new ATOM 0 HD11 LEU A 17 59.939 3.763 26.462 1.00 0.00 H new ATOM 0 HD12 LEU A 17 59.826 4.358 28.136 1.00 0.00 H new ATOM 0 HD13 LEU A 17 58.416 3.590 27.368 1.00 0.00 H new ATOM 0 HD21 LEU A 17 58.791 4.955 24.633 1.00 0.00 H new ATOM 0 HD22 LEU A 17 57.225 4.829 25.469 1.00 0.00 H new ATOM 0 HD23 LEU A 17 57.842 6.422 24.971 1.00 0.00 H new ATOM 218 N LYS A 18 60.623 5.812 29.389 1.00 0.00 N ATOM 219 CA LYS A 18 61.464 4.906 30.162 1.00 0.00 C ATOM 220 C LYS A 18 61.353 5.203 31.654 1.00 0.00 C ATOM 221 O LYS A 18 61.042 6.318 32.069 1.00 0.00 O ATOM 222 CB LYS A 18 62.922 5.024 29.713 1.00 0.00 C ATOM 223 CG LYS A 18 63.645 6.223 30.304 1.00 0.00 C ATOM 224 CD LYS A 18 64.801 5.795 31.192 1.00 0.00 C ATOM 225 CE LYS A 18 65.368 6.970 31.973 1.00 0.00 C ATOM 226 NZ LYS A 18 66.718 7.363 31.481 1.00 0.00 N ATOM 0 H LYS A 18 61.087 6.233 28.584 1.00 0.00 H new ATOM 0 HA LYS A 18 61.118 3.887 29.986 1.00 0.00 H new ATOM 0 HB2 LYS A 18 63.454 4.115 29.993 1.00 0.00 H new ATOM 0 HB3 LYS A 18 62.954 5.090 28.626 1.00 0.00 H new ATOM 0 HG2 LYS A 18 64.018 6.857 29.500 1.00 0.00 H new ATOM 0 HG3 LYS A 18 62.943 6.823 30.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 64.463 5.025 31.885 1.00 0.00 H new ATOM 0 HD3 LYS A 18 65.586 5.351 30.580 1.00 0.00 H new ATOM 0 HE2 LYS A 18 64.691 7.820 31.893 1.00 0.00 H new ATOM 0 HE3 LYS A 18 65.428 6.709 33.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 67.070 8.167 32.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 67.371 6.560 31.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 66.656 7.637 30.480 1.00 0.00 H new ATOM 311 N TYR A 25 53.910 10.840 40.266 1.00 0.00 N ATOM 312 CA TYR A 25 52.974 10.744 39.153 1.00 0.00 C ATOM 313 C TYR A 25 53.712 10.518 37.836 1.00 0.00 C ATOM 314 O TYR A 25 53.217 9.830 36.945 1.00 0.00 O ATOM 315 CB TYR A 25 52.125 12.013 39.063 1.00 0.00 C ATOM 316 CG TYR A 25 50.647 11.742 38.889 1.00 0.00 C ATOM 317 CD1 TYR A 25 50.087 11.622 37.623 1.00 0.00 C ATOM 318 CD2 TYR A 25 49.811 11.609 39.991 1.00 0.00 C ATOM 319 CE1 TYR A 25 48.739 11.375 37.459 1.00 0.00 C ATOM 320 CE2 TYR A 25 48.461 11.362 39.837 1.00 0.00 C ATOM 321 CZ TYR A 25 47.930 11.245 38.568 1.00 0.00 C ATOM 322 OH TYR A 25 46.585 11.000 38.410 1.00 0.00 O ATOM 0 HA TYR A 25 52.322 9.890 39.334 1.00 0.00 H new ATOM 0 HB2 TYR A 25 52.273 12.604 39.967 1.00 0.00 H new ATOM 0 HB3 TYR A 25 52.476 12.616 38.226 1.00 0.00 H new ATOM 0 HD1 TYR A 25 50.718 11.724 36.752 1.00 0.00 H new ATOM 0 HD2 TYR A 25 50.224 11.700 40.985 1.00 0.00 H new ATOM 0 HE1 TYR A 25 48.320 11.284 36.468 1.00 0.00 H new ATOM 0 HE2 TYR A 25 47.825 11.261 40.704 1.00 0.00 H new ATOM 0 HH TYR A 25 46.159 10.935 39.290 1.00 0.00 H new ATOM 331 N ALA A 26 54.900 11.102 37.726 1.00 0.00 N ATOM 332 CA ALA A 26 55.710 10.964 36.520 1.00 0.00 C ATOM 333 C ALA A 26 55.870 9.498 36.133 1.00 0.00 C ATOM 334 O ALA A 26 55.724 9.136 34.966 1.00 0.00 O ATOM 335 CB ALA A 26 57.072 11.611 36.722 1.00 0.00 C ATOM 0 H ALA A 26 55.324 11.675 38.456 1.00 0.00 H new ATOM 0 HA ALA A 26 55.196 11.474 35.705 1.00 0.00 H new ATOM 0 HB1 ALA A 26 57.666 11.500 35.814 1.00 0.00 H new ATOM 0 HB2 ALA A 26 56.942 12.670 36.944 1.00 0.00 H new ATOM 0 HB3 ALA A 26 57.585 11.126 37.553 1.00 0.00 H new ATOM 341 N GLU A 27 56.173 8.659 37.119 1.00 0.00 N ATOM 342 CA GLU A 27 56.356 7.232 36.880 1.00 0.00 C ATOM 343 C GLU A 27 55.011 6.530 36.727 1.00 0.00 C ATOM 344 O GLU A 27 54.870 5.601 35.933 1.00 0.00 O ATOM 345 CB GLU A 27 57.147 6.598 38.025 1.00 0.00 C ATOM 346 CG GLU A 27 58.547 6.161 37.628 1.00 0.00 C ATOM 347 CD GLU A 27 59.606 7.178 38.004 1.00 0.00 C ATOM 348 OE1 GLU A 27 59.240 8.340 38.284 1.00 0.00 O ATOM 349 OE2 GLU A 27 60.801 6.815 38.020 1.00 0.00 O ATOM 0 H GLU A 27 56.297 8.943 38.091 1.00 0.00 H new ATOM 0 HA GLU A 27 56.916 7.114 35.952 1.00 0.00 H new ATOM 0 HB2 GLU A 27 57.217 7.312 38.846 1.00 0.00 H new ATOM 0 HB3 GLU A 27 56.598 5.734 38.400 1.00 0.00 H new ATOM 0 HG2 GLU A 27 58.776 5.210 38.108 1.00 0.00 H new ATOM 0 HG3 GLU A 27 58.579 5.991 36.552 1.00 0.00 H new ATOM 354 N GLN A 28 54.023 6.981 37.495 1.00 0.00 N ATOM 355 CA GLN A 28 52.688 6.395 37.447 1.00 0.00 C ATOM 356 C GLN A 28 52.127 6.436 36.029 1.00 0.00 C ATOM 357 O GLN A 28 51.676 5.421 35.500 1.00 0.00 O ATOM 358 CB GLN A 28 51.749 7.135 38.401 1.00 0.00 C ATOM 359 CG GLN A 28 52.241 7.162 39.839 1.00 0.00 C ATOM 360 CD GLN A 28 51.147 7.528 40.822 1.00 0.00 C ATOM 361 OE1 GLN A 28 51.296 8.455 41.619 1.00 0.00 O ATOM 362 NE2 GLN A 28 50.037 6.799 40.774 1.00 0.00 N ATOM 0 H GLN A 28 54.122 7.750 38.158 1.00 0.00 H new ATOM 0 HA GLN A 28 52.764 5.353 37.759 1.00 0.00 H new ATOM 0 HB2 GLN A 28 51.621 8.159 38.050 1.00 0.00 H new ATOM 0 HB3 GLN A 28 50.767 6.663 38.370 1.00 0.00 H new ATOM 0 HG2 GLN A 28 52.646 6.184 40.099 1.00 0.00 H new ATOM 0 HG3 GLN A 28 53.058 7.879 39.926 1.00 0.00 H new ATOM 0 HE21 GLN A 28 49.954 6.040 40.098 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.268 6.999 41.413 1.00 0.00 H new ATOM 369 N GLY A 29 52.161 7.618 35.418 1.00 0.00 N ATOM 370 CA GLY A 29 51.652 7.767 34.067 1.00 0.00 C ATOM 371 C GLY A 29 52.398 6.906 33.067 1.00 0.00 C ATOM 372 O GLY A 29 51.786 6.155 32.307 1.00 0.00 O ATOM 0 H GLY A 29 52.531 8.473 35.834 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.594 7.504 34.050 1.00 0.00 H new ATOM 0 HA3 GLY A 29 51.726 8.812 33.768 1.00 0.00 H new ATOM 376 N LYS A 30 53.722 7.015 33.067 1.00 0.00 N ATOM 377 CA LYS A 30 54.554 6.241 32.153 1.00 0.00 C ATOM 378 C LYS A 30 54.194 4.758 32.214 1.00 0.00 C ATOM 379 O LYS A 30 53.867 4.149 31.196 1.00 0.00 O ATOM 380 CB LYS A 30 56.033 6.430 32.492 1.00 0.00 C ATOM 381 CG LYS A 30 56.498 7.873 32.395 1.00 0.00 C ATOM 382 CD LYS A 30 57.767 8.106 33.197 1.00 0.00 C ATOM 383 CE LYS A 30 58.208 9.560 33.135 1.00 0.00 C ATOM 384 NZ LYS A 30 58.692 10.049 34.455 1.00 0.00 N ATOM 0 H LYS A 30 54.242 7.632 33.690 1.00 0.00 H new ATOM 0 HA LYS A 30 54.371 6.602 31.141 1.00 0.00 H new ATOM 0 HB2 LYS A 30 56.215 6.065 33.503 1.00 0.00 H new ATOM 0 HB3 LYS A 30 56.633 5.817 31.819 1.00 0.00 H new ATOM 0 HG2 LYS A 30 56.675 8.130 31.350 1.00 0.00 H new ATOM 0 HG3 LYS A 30 55.711 8.535 32.757 1.00 0.00 H new ATOM 0 HD2 LYS A 30 57.600 7.820 34.235 1.00 0.00 H new ATOM 0 HD3 LYS A 30 58.563 7.467 32.814 1.00 0.00 H new ATOM 0 HE2 LYS A 30 59.001 9.668 32.395 1.00 0.00 H new ATOM 0 HE3 LYS A 30 57.375 10.178 32.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 58.459 11.057 34.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 58.233 9.508 35.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 59.723 9.924 34.515 1.00 0.00 H new ATOM 394 N GLU A 31 54.256 4.188 33.412 1.00 0.00 N ATOM 395 CA GLU A 31 53.937 2.779 33.604 1.00 0.00 C ATOM 396 C GLU A 31 52.486 2.493 33.228 1.00 0.00 C ATOM 397 O GLU A 31 52.140 1.377 32.843 1.00 0.00 O ATOM 398 CB GLU A 31 54.189 2.368 35.056 1.00 0.00 C ATOM 399 CG GLU A 31 53.387 1.155 35.493 1.00 0.00 C ATOM 400 CD GLU A 31 53.678 -0.073 34.652 1.00 0.00 C ATOM 401 OE1 GLU A 31 54.849 -0.256 34.256 1.00 0.00 O ATOM 402 OE2 GLU A 31 52.737 -0.849 34.388 1.00 0.00 O ATOM 0 H GLU A 31 54.524 4.680 34.264 1.00 0.00 H new ATOM 0 HA GLU A 31 54.586 2.195 32.951 1.00 0.00 H new ATOM 0 HB2 GLU A 31 55.250 2.157 35.186 1.00 0.00 H new ATOM 0 HB3 GLU A 31 53.948 3.207 35.709 1.00 0.00 H new ATOM 0 HG2 GLU A 31 53.608 0.936 36.538 1.00 0.00 H new ATOM 0 HG3 GLU A 31 52.324 1.387 35.434 1.00 0.00 H new ATOM 407 N TYR A 32 51.640 3.511 33.346 1.00 0.00 N ATOM 408 CA TYR A 32 50.225 3.372 33.024 1.00 0.00 C ATOM 409 C TYR A 32 50.031 3.103 31.534 1.00 0.00 C ATOM 410 O TYR A 32 49.273 2.212 31.146 1.00 0.00 O ATOM 411 CB TYR A 32 49.460 4.632 33.429 1.00 0.00 C ATOM 412 CG TYR A 32 47.960 4.503 33.287 1.00 0.00 C ATOM 413 CD1 TYR A 32 47.325 4.830 32.096 1.00 0.00 C ATOM 414 CD2 TYR A 32 47.179 4.053 34.344 1.00 0.00 C ATOM 415 CE1 TYR A 32 45.956 4.713 31.960 1.00 0.00 C ATOM 416 CE2 TYR A 32 45.808 3.931 34.218 1.00 0.00 C ATOM 417 CZ TYR A 32 45.202 4.264 33.024 1.00 0.00 C ATOM 418 OH TYR A 32 43.836 4.146 32.894 1.00 0.00 O ATOM 0 H TYR A 32 51.910 4.442 33.663 1.00 0.00 H new ATOM 0 HA TYR A 32 49.833 2.523 33.584 1.00 0.00 H new ATOM 0 HB2 TYR A 32 49.699 4.874 34.465 1.00 0.00 H new ATOM 0 HB3 TYR A 32 49.804 5.467 32.819 1.00 0.00 H new ATOM 0 HD1 TYR A 32 47.913 5.182 31.261 1.00 0.00 H new ATOM 0 HD2 TYR A 32 47.651 3.794 35.280 1.00 0.00 H new ATOM 0 HE1 TYR A 32 45.479 4.971 31.026 1.00 0.00 H new ATOM 0 HE2 TYR A 32 45.215 3.577 35.049 1.00 0.00 H new ATOM 0 HH TYR A 32 43.455 3.816 33.734 1.00 0.00 H new ATOM 427 N ILE A 33 50.721 3.877 30.705 1.00 0.00 N ATOM 428 CA ILE A 33 50.626 3.723 29.259 1.00 0.00 C ATOM 429 C ILE A 33 51.258 2.412 28.803 1.00 0.00 C ATOM 430 O ILE A 33 50.660 1.655 28.037 1.00 0.00 O ATOM 431 CB ILE A 33 51.308 4.891 28.522 1.00 0.00 C ATOM 432 CG1 ILE A 33 51.011 6.214 29.230 1.00 0.00 C ATOM 433 CG2 ILE A 33 50.847 4.944 27.073 1.00 0.00 C ATOM 434 CD1 ILE A 33 51.147 7.424 28.333 1.00 0.00 C ATOM 0 H ILE A 33 51.353 4.618 31.010 1.00 0.00 H new ATOM 0 HA ILE A 33 49.564 3.718 29.012 1.00 0.00 H new ATOM 0 HB ILE A 33 52.386 4.729 28.535 1.00 0.00 H new ATOM 0 HG12 ILE A 33 49.998 6.182 29.632 1.00 0.00 H new ATOM 0 HG13 ILE A 33 51.687 6.323 30.078 1.00 0.00 H new ATOM 0 HG21 ILE A 33 51.338 5.774 26.565 1.00 0.00 H new ATOM 0 HG22 ILE A 33 51.106 4.010 26.574 1.00 0.00 H new ATOM 0 HG23 ILE A 33 49.767 5.086 27.040 1.00 0.00 H new ATOM 0 HD11 ILE A 33 50.922 8.326 28.902 1.00 0.00 H new ATOM 0 HD12 ILE A 33 52.166 7.481 27.951 1.00 0.00 H new ATOM 0 HD13 ILE A 33 50.451 7.338 27.498 1.00 0.00 H new ATOM 445 N THR A 34 52.469 2.147 29.282 1.00 0.00 N ATOM 446 CA THR A 34 53.182 0.927 28.925 1.00 0.00 C ATOM 447 C THR A 34 52.302 -0.303 29.122 1.00 0.00 C ATOM 448 O THR A 34 52.176 -1.138 28.227 1.00 0.00 O ATOM 449 CB THR A 34 54.467 0.763 29.759 1.00 0.00 C ATOM 450 OG1 THR A 34 54.150 0.775 31.154 1.00 0.00 O ATOM 451 CG2 THR A 34 55.459 1.874 29.449 1.00 0.00 C ATOM 0 H THR A 34 52.977 2.761 29.919 1.00 0.00 H new ATOM 0 HA THR A 34 53.449 1.014 27.872 1.00 0.00 H new ATOM 0 HB THR A 34 54.923 -0.192 29.499 1.00 0.00 H new ATOM 0 HG1 THR A 34 54.940 0.511 31.671 1.00 0.00 H new ATOM 0 HG21 THR A 34 56.358 1.737 30.050 1.00 0.00 H new ATOM 0 HG22 THR A 34 55.721 1.843 28.391 1.00 0.00 H new ATOM 0 HG23 THR A 34 55.010 2.839 29.683 1.00 0.00 H new ATOM 459 N ASP A 35 51.694 -0.405 30.298 1.00 0.00 N ATOM 460 CA ASP A 35 50.822 -1.531 30.613 1.00 0.00 C ATOM 461 C ASP A 35 49.704 -1.657 29.583 1.00 0.00 C ATOM 462 O ASP A 35 49.274 -2.761 29.248 1.00 0.00 O ATOM 463 CB ASP A 35 50.228 -1.369 32.013 1.00 0.00 C ATOM 464 CG ASP A 35 50.147 -2.683 32.763 1.00 0.00 C ATOM 465 OD1 ASP A 35 50.310 -3.743 32.125 1.00 0.00 O ATOM 466 OD2 ASP A 35 49.923 -2.652 33.992 1.00 0.00 O ATOM 0 H ASP A 35 51.789 0.278 31.049 1.00 0.00 H new ATOM 0 HA ASP A 35 51.421 -2.441 30.585 1.00 0.00 H new ATOM 0 HB2 ASP A 35 50.835 -0.666 32.583 1.00 0.00 H new ATOM 0 HB3 ASP A 35 49.230 -0.937 31.933 1.00 0.00 H new ATOM 470 N LYS A 36 49.235 -0.519 29.084 1.00 0.00 N ATOM 471 CA LYS A 36 48.166 -0.500 28.092 1.00 0.00 C ATOM 472 C LYS A 36 48.669 -1.001 26.743 1.00 0.00 C ATOM 473 O LYS A 36 47.996 -1.784 26.071 1.00 0.00 O ATOM 474 CB LYS A 36 47.603 0.916 27.945 1.00 0.00 C ATOM 475 CG LYS A 36 47.007 1.469 29.227 1.00 0.00 C ATOM 476 CD LYS A 36 45.491 1.384 29.220 1.00 0.00 C ATOM 477 CE LYS A 36 44.858 2.657 29.759 1.00 0.00 C ATOM 478 NZ LYS A 36 43.473 2.849 29.247 1.00 0.00 N ATOM 0 H LYS A 36 49.579 0.404 29.350 1.00 0.00 H new ATOM 0 HA LYS A 36 47.373 -1.165 28.435 1.00 0.00 H new ATOM 0 HB2 LYS A 36 48.398 1.581 27.607 1.00 0.00 H new ATOM 0 HB3 LYS A 36 46.837 0.915 27.169 1.00 0.00 H new ATOM 0 HG2 LYS A 36 47.399 0.915 30.080 1.00 0.00 H new ATOM 0 HG3 LYS A 36 47.313 2.507 29.353 1.00 0.00 H new ATOM 0 HD2 LYS A 36 45.141 1.205 28.204 1.00 0.00 H new ATOM 0 HD3 LYS A 36 45.171 0.534 29.822 1.00 0.00 H new ATOM 0 HE2 LYS A 36 44.840 2.621 30.848 1.00 0.00 H new ATOM 0 HE3 LYS A 36 45.471 3.514 29.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 43.077 3.728 29.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 43.492 2.910 28.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 42.881 2.044 29.536 1.00 0.00 H new ATOM 488 N ALA A 37 49.855 -0.546 26.351 1.00 0.00 N ATOM 489 CA ALA A 37 50.447 -0.952 25.083 1.00 0.00 C ATOM 490 C ALA A 37 50.858 -2.421 25.113 1.00 0.00 C ATOM 491 O ALA A 37 50.934 -3.075 24.074 1.00 0.00 O ATOM 492 CB ALA A 37 51.646 -0.074 24.756 1.00 0.00 C ATOM 0 H ALA A 37 50.424 0.104 26.894 1.00 0.00 H new ATOM 0 HA ALA A 37 49.695 -0.828 24.304 1.00 0.00 H new ATOM 0 HB1 ALA A 37 52.079 -0.388 23.806 1.00 0.00 H new ATOM 0 HB2 ALA A 37 51.327 0.966 24.683 1.00 0.00 H new ATOM 0 HB3 ALA A 37 52.393 -0.170 25.544 1.00 0.00 H new ATOM 498 N ASP A 38 51.123 -2.931 26.311 1.00 0.00 N ATOM 499 CA ASP A 38 51.525 -4.322 26.476 1.00 0.00 C ATOM 500 C ASP A 38 50.316 -5.250 26.411 1.00 0.00 C ATOM 501 O ASP A 38 50.371 -6.319 25.804 1.00 0.00 O ATOM 502 CB ASP A 38 52.255 -4.510 27.807 1.00 0.00 C ATOM 503 CG ASP A 38 53.516 -5.339 27.665 1.00 0.00 C ATOM 504 OD1 ASP A 38 53.498 -6.320 26.891 1.00 0.00 O ATOM 505 OD2 ASP A 38 54.523 -5.007 28.324 1.00 0.00 O ATOM 0 H ASP A 38 51.067 -2.402 27.181 1.00 0.00 H new ATOM 0 HA ASP A 38 52.201 -4.577 25.660 1.00 0.00 H new ATOM 0 HB2 ASP A 38 52.510 -3.534 28.219 1.00 0.00 H new ATOM 0 HB3 ASP A 38 51.586 -4.992 28.520 1.00 0.00 H new ATOM 509 N LYS A 39 49.222 -4.833 27.042 1.00 0.00 N ATOM 510 CA LYS A 39 47.998 -5.625 27.056 1.00 0.00 C ATOM 511 C LYS A 39 47.370 -5.683 25.668 1.00 0.00 C ATOM 512 O LYS A 39 47.058 -6.759 25.160 1.00 0.00 O ATOM 513 CB LYS A 39 46.998 -5.038 28.056 1.00 0.00 C ATOM 514 CG LYS A 39 46.985 -5.754 29.395 1.00 0.00 C ATOM 515 CD LYS A 39 45.628 -6.376 29.680 1.00 0.00 C ATOM 516 CE LYS A 39 45.414 -7.644 28.866 1.00 0.00 C ATOM 517 NZ LYS A 39 44.013 -8.138 28.969 1.00 0.00 N ATOM 0 H LYS A 39 49.159 -3.951 27.550 1.00 0.00 H new ATOM 0 HA LYS A 39 48.255 -6.639 27.361 1.00 0.00 H new ATOM 0 HB2 LYS A 39 47.234 -3.986 28.218 1.00 0.00 H new ATOM 0 HB3 LYS A 39 45.999 -5.077 27.623 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.751 -6.530 29.402 1.00 0.00 H new ATOM 0 HG3 LYS A 39 47.238 -5.050 30.188 1.00 0.00 H new ATOM 0 HD2 LYS A 39 45.548 -6.606 30.742 1.00 0.00 H new ATOM 0 HD3 LYS A 39 44.841 -5.657 29.450 1.00 0.00 H new ATOM 0 HE2 LYS A 39 45.655 -7.450 27.821 1.00 0.00 H new ATOM 0 HE3 LYS A 39 46.099 -8.418 29.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 43.986 -8.980 29.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 43.412 -7.395 29.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 43.661 -8.384 28.022 1.00 0.00 H new ATOM 527 N VAL A 40 47.190 -4.516 25.057 1.00 0.00 N ATOM 528 CA VAL A 40 46.602 -4.433 23.725 1.00 0.00 C ATOM 529 C VAL A 40 47.403 -5.253 22.719 1.00 0.00 C ATOM 530 O VAL A 40 46.838 -5.877 21.821 1.00 0.00 O ATOM 531 CB VAL A 40 46.525 -2.976 23.234 1.00 0.00 C ATOM 532 CG1 VAL A 40 47.907 -2.340 23.226 1.00 0.00 C ATOM 533 CG2 VAL A 40 45.891 -2.910 21.853 1.00 0.00 C ATOM 0 H VAL A 40 47.443 -3.615 25.463 1.00 0.00 H new ATOM 0 HA VAL A 40 45.593 -4.837 23.800 1.00 0.00 H new ATOM 0 HB VAL A 40 45.896 -2.413 23.924 1.00 0.00 H new ATOM 0 HG11 VAL A 40 47.832 -1.310 22.876 1.00 0.00 H new ATOM 0 HG12 VAL A 40 48.318 -2.351 24.235 1.00 0.00 H new ATOM 0 HG13 VAL A 40 48.562 -2.902 22.561 1.00 0.00 H new ATOM 0 HG21 VAL A 40 45.845 -1.872 21.523 1.00 0.00 H new ATOM 0 HG22 VAL A 40 46.490 -3.488 21.150 1.00 0.00 H new ATOM 0 HG23 VAL A 40 44.883 -3.322 21.895 1.00 0.00 H new ATOM 543 N ALA A 41 48.722 -5.249 22.877 1.00 0.00 N ATOM 544 CA ALA A 41 49.601 -5.996 21.984 1.00 0.00 C ATOM 545 C ALA A 41 49.575 -7.485 22.308 1.00 0.00 C ATOM 546 O ALA A 41 49.402 -8.320 21.422 1.00 0.00 O ATOM 547 CB ALA A 41 51.021 -5.458 22.072 1.00 0.00 C ATOM 0 H ALA A 41 49.206 -4.737 23.615 1.00 0.00 H new ATOM 0 HA ALA A 41 49.238 -5.867 20.964 1.00 0.00 H new ATOM 0 HB1 ALA A 41 51.667 -6.024 21.401 1.00 0.00 H new ATOM 0 HB2 ALA A 41 51.030 -4.407 21.784 1.00 0.00 H new ATOM 0 HB3 ALA A 41 51.385 -5.557 23.095 1.00 0.00 H new ATOM 553 N GLY A 42 49.751 -7.812 23.585 1.00 0.00 N ATOM 554 CA GLY A 42 49.745 -9.202 24.002 1.00 0.00 C ATOM 555 C GLY A 42 48.417 -9.884 23.729 1.00 0.00 C ATOM 556 O GLY A 42 48.377 -11.073 23.411 1.00 0.00 O ATOM 0 H GLY A 42 49.898 -7.139 24.338 1.00 0.00 H new ATOM 0 HA2 GLY A 42 50.539 -9.738 23.481 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.967 -9.259 25.068 1.00 0.00 H new ATOM 560 N LYS A 43 47.330 -9.131 23.855 1.00 0.00 N ATOM 561 CA LYS A 43 45.996 -9.669 23.620 1.00 0.00 C ATOM 562 C LYS A 43 45.858 -10.178 22.189 1.00 0.00 C ATOM 563 O LYS A 43 44.981 -10.988 21.890 1.00 0.00 O ATOM 564 CB LYS A 43 44.937 -8.598 23.894 1.00 0.00 C ATOM 565 CG LYS A 43 44.269 -8.739 25.252 1.00 0.00 C ATOM 566 CD LYS A 43 43.528 -10.059 25.375 1.00 0.00 C ATOM 567 CE LYS A 43 42.032 -9.845 25.546 1.00 0.00 C ATOM 568 NZ LYS A 43 41.252 -11.054 25.161 1.00 0.00 N ATOM 0 H LYS A 43 47.347 -8.146 24.119 1.00 0.00 H new ATOM 0 HA LYS A 43 45.844 -10.506 24.301 1.00 0.00 H new ATOM 0 HB2 LYS A 43 45.401 -7.614 23.827 1.00 0.00 H new ATOM 0 HB3 LYS A 43 44.175 -8.645 23.116 1.00 0.00 H new ATOM 0 HG2 LYS A 43 45.021 -8.669 26.038 1.00 0.00 H new ATOM 0 HG3 LYS A 43 43.572 -7.914 25.403 1.00 0.00 H new ATOM 0 HD2 LYS A 43 43.711 -10.664 24.487 1.00 0.00 H new ATOM 0 HD3 LYS A 43 43.916 -10.617 26.227 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.818 -9.590 26.584 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.714 -8.998 24.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.237 -10.868 25.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.437 -11.283 24.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 41.537 -11.856 25.759 1.00 0.00 H new ATOM 675 N GLY A 51 49.288 -14.889 30.391 1.00 0.00 N ATOM 676 CA GLY A 51 49.258 -14.640 31.822 1.00 0.00 C ATOM 677 C GLY A 51 47.852 -14.680 32.388 1.00 0.00 C ATOM 678 O GLY A 51 47.045 -13.787 32.128 1.00 0.00 O ATOM 0 HA2 GLY A 51 49.872 -15.384 32.330 1.00 0.00 H new ATOM 0 HA3 GLY A 51 49.702 -13.666 32.028 1.00 0.00 H new ATOM 682 N VAL A 52 47.558 -15.718 33.164 1.00 0.00 N ATOM 683 CA VAL A 52 46.239 -15.871 33.769 1.00 0.00 C ATOM 684 C VAL A 52 46.044 -14.887 34.916 1.00 0.00 C ATOM 685 O VAL A 52 44.916 -14.534 35.259 1.00 0.00 O ATOM 686 CB VAL A 52 46.026 -17.304 34.292 1.00 0.00 C ATOM 687 CG1 VAL A 52 44.615 -17.468 34.837 1.00 0.00 C ATOM 688 CG2 VAL A 52 46.305 -18.319 33.195 1.00 0.00 C ATOM 0 H VAL A 52 48.215 -16.466 33.389 1.00 0.00 H new ATOM 0 HA VAL A 52 45.506 -15.664 32.990 1.00 0.00 H new ATOM 0 HB VAL A 52 46.728 -17.484 35.106 1.00 0.00 H new ATOM 0 HG11 VAL A 52 44.482 -18.486 35.202 1.00 0.00 H new ATOM 0 HG12 VAL A 52 44.457 -16.766 35.655 1.00 0.00 H new ATOM 0 HG13 VAL A 52 43.893 -17.270 34.044 1.00 0.00 H new ATOM 0 HG21 VAL A 52 46.149 -19.326 33.583 1.00 0.00 H new ATOM 0 HG22 VAL A 52 45.630 -18.144 32.357 1.00 0.00 H new ATOM 0 HG23 VAL A 52 47.336 -18.216 32.857 1.00 0.00 H new ATOM 698 N PHE A 53 47.150 -14.447 35.507 1.00 0.00 N ATOM 699 CA PHE A 53 47.101 -13.504 36.617 1.00 0.00 C ATOM 700 C PHE A 53 47.271 -12.070 36.121 1.00 0.00 C ATOM 701 O PHE A 53 46.668 -11.142 36.656 1.00 0.00 O ATOM 702 CB PHE A 53 48.187 -13.834 37.644 1.00 0.00 C ATOM 703 CG PHE A 53 47.657 -14.488 38.887 1.00 0.00 C ATOM 704 CD1 PHE A 53 47.508 -15.865 38.952 1.00 0.00 C ATOM 705 CD2 PHE A 53 47.308 -13.728 39.991 1.00 0.00 C ATOM 706 CE1 PHE A 53 47.022 -16.469 40.095 1.00 0.00 C ATOM 707 CE2 PHE A 53 46.820 -14.327 41.138 1.00 0.00 C ATOM 708 CZ PHE A 53 46.677 -15.699 41.190 1.00 0.00 C ATOM 0 H PHE A 53 48.092 -14.729 35.235 1.00 0.00 H new ATOM 0 HA PHE A 53 46.124 -13.591 37.092 1.00 0.00 H new ATOM 0 HB2 PHE A 53 48.924 -14.492 37.183 1.00 0.00 H new ATOM 0 HB3 PHE A 53 48.707 -12.916 37.919 1.00 0.00 H new ATOM 0 HD1 PHE A 53 47.775 -16.472 38.099 1.00 0.00 H new ATOM 0 HD2 PHE A 53 47.418 -12.654 39.956 1.00 0.00 H new ATOM 0 HE1 PHE A 53 46.912 -17.543 40.133 1.00 0.00 H new ATOM 0 HE2 PHE A 53 46.551 -13.722 41.992 1.00 0.00 H new ATOM 0 HZ PHE A 53 46.296 -16.170 42.084 1.00 0.00 H new ATOM 717 N GLN A 54 48.101 -11.901 35.096 1.00 0.00 N ATOM 718 CA GLN A 54 48.352 -10.582 34.528 1.00 0.00 C ATOM 719 C GLN A 54 47.055 -9.938 34.049 1.00 0.00 C ATOM 720 O GLN A 54 46.944 -8.715 33.988 1.00 0.00 O ATOM 721 CB GLN A 54 49.344 -10.683 33.368 1.00 0.00 C ATOM 722 CG GLN A 54 50.729 -10.151 33.702 1.00 0.00 C ATOM 723 CD GLN A 54 51.159 -9.026 32.782 1.00 0.00 C ATOM 724 OE1 GLN A 54 50.475 -8.010 32.663 1.00 0.00 O ATOM 725 NE2 GLN A 54 52.300 -9.202 32.126 1.00 0.00 N ATOM 0 H GLN A 54 48.610 -12.660 34.643 1.00 0.00 H new ATOM 0 HA GLN A 54 48.780 -9.954 35.309 1.00 0.00 H new ATOM 0 HB2 GLN A 54 49.429 -11.726 33.063 1.00 0.00 H new ATOM 0 HB3 GLN A 54 48.949 -10.133 32.514 1.00 0.00 H new ATOM 0 HG2 GLN A 54 50.739 -9.796 34.733 1.00 0.00 H new ATOM 0 HG3 GLN A 54 51.452 -10.964 33.638 1.00 0.00 H new ATOM 0 HE21 GLN A 54 52.835 -10.061 32.255 1.00 0.00 H new ATOM 0 HE22 GLN A 54 52.641 -8.479 31.493 1.00 0.00 H new ATOM 732 N GLY A 55 46.077 -10.773 33.708 1.00 0.00 N ATOM 733 CA GLY A 55 44.801 -10.267 33.239 1.00 0.00 C ATOM 734 C GLY A 55 43.964 -9.676 34.357 1.00 0.00 C ATOM 735 O GLY A 55 43.129 -8.802 34.122 1.00 0.00 O ATOM 0 H GLY A 55 46.146 -11.790 33.748 1.00 0.00 H new ATOM 0 HA2 GLY A 55 44.973 -9.506 32.477 1.00 0.00 H new ATOM 0 HA3 GLY A 55 44.246 -11.075 32.763 1.00 0.00 H new ATOM 739 N VAL A 56 44.184 -10.157 35.576 1.00 0.00 N ATOM 740 CA VAL A 56 43.443 -9.672 36.734 1.00 0.00 C ATOM 741 C VAL A 56 43.711 -8.192 36.978 1.00 0.00 C ATOM 742 O VAL A 56 42.889 -7.490 37.567 1.00 0.00 O ATOM 743 CB VAL A 56 43.807 -10.465 38.004 1.00 0.00 C ATOM 744 CG1 VAL A 56 42.965 -10.002 39.183 1.00 0.00 C ATOM 745 CG2 VAL A 56 43.632 -11.958 37.769 1.00 0.00 C ATOM 0 H VAL A 56 44.869 -10.882 35.787 1.00 0.00 H new ATOM 0 HA VAL A 56 42.385 -9.815 36.516 1.00 0.00 H new ATOM 0 HB VAL A 56 44.855 -10.277 38.240 1.00 0.00 H new ATOM 0 HG11 VAL A 56 43.236 -10.574 40.071 1.00 0.00 H new ATOM 0 HG12 VAL A 56 43.145 -8.942 39.365 1.00 0.00 H new ATOM 0 HG13 VAL A 56 41.910 -10.158 38.960 1.00 0.00 H new ATOM 0 HG21 VAL A 56 43.894 -12.502 38.676 1.00 0.00 H new ATOM 0 HG22 VAL A 56 42.594 -12.166 37.507 1.00 0.00 H new ATOM 0 HG23 VAL A 56 44.282 -12.277 36.955 1.00 0.00 H new ATOM 755 N HIS A 57 44.868 -7.722 36.520 1.00 0.00 N ATOM 756 CA HIS A 57 45.243 -6.323 36.687 1.00 0.00 C ATOM 757 C HIS A 57 44.508 -5.438 35.686 1.00 0.00 C ATOM 758 O HIS A 57 44.293 -4.252 35.931 1.00 0.00 O ATOM 759 CB HIS A 57 46.754 -6.157 36.519 1.00 0.00 C ATOM 760 CG HIS A 57 47.336 -5.073 37.375 1.00 0.00 C ATOM 761 ND1 HIS A 57 47.848 -3.900 36.859 1.00 0.00 N ATOM 762 CD2 HIS A 57 47.483 -4.987 38.718 1.00 0.00 C ATOM 763 CE1 HIS A 57 48.286 -3.142 37.848 1.00 0.00 C ATOM 764 NE2 HIS A 57 48.076 -3.777 38.986 1.00 0.00 N ATOM 0 H HIS A 57 45.561 -8.289 36.031 1.00 0.00 H new ATOM 0 HA HIS A 57 44.959 -6.014 37.693 1.00 0.00 H new ATOM 0 HB2 HIS A 57 47.244 -7.101 36.759 1.00 0.00 H new ATOM 0 HB3 HIS A 57 46.974 -5.941 35.474 1.00 0.00 H new ATOM 0 HD1 HIS A 57 47.883 -3.657 35.869 1.00 0.00 H new ATOM 0 HD2 HIS A 57 47.189 -5.731 39.444 1.00 0.00 H new ATOM 0 HE1 HIS A 57 48.739 -2.167 37.743 1.00 0.00 H new ATOM 771 N ASP A 58 44.125 -6.025 34.557 1.00 0.00 N ATOM 772 CA ASP A 58 43.413 -5.291 33.517 1.00 0.00 C ATOM 773 C ASP A 58 42.143 -4.656 34.073 1.00 0.00 C ATOM 774 O ASP A 58 41.652 -3.658 33.545 1.00 0.00 O ATOM 775 CB ASP A 58 43.067 -6.219 32.352 1.00 0.00 C ATOM 776 CG ASP A 58 42.769 -5.459 31.075 1.00 0.00 C ATOM 777 OD1 ASP A 58 42.976 -4.228 31.054 1.00 0.00 O ATOM 778 OD2 ASP A 58 42.328 -6.095 30.095 1.00 0.00 O ATOM 0 H ASP A 58 44.296 -7.007 34.339 1.00 0.00 H new ATOM 0 HA ASP A 58 44.066 -4.497 33.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 43.897 -6.904 32.178 1.00 0.00 H new ATOM 0 HB3 ASP A 58 42.203 -6.827 32.620 1.00 0.00 H new ATOM 782 N SER A 59 41.614 -5.242 35.142 1.00 0.00 N ATOM 783 CA SER A 59 40.397 -4.738 35.768 1.00 0.00 C ATOM 784 C SER A 59 40.719 -3.630 36.769 1.00 0.00 C ATOM 785 O SER A 59 40.202 -2.518 36.667 1.00 0.00 O ATOM 786 CB SER A 59 39.650 -5.873 36.471 1.00 0.00 C ATOM 787 OG SER A 59 39.906 -7.117 35.841 1.00 0.00 O ATOM 0 H SER A 59 42.009 -6.067 35.593 1.00 0.00 H new ATOM 0 HA SER A 59 39.761 -4.325 34.985 1.00 0.00 H new ATOM 0 HB2 SER A 59 39.955 -5.921 37.516 1.00 0.00 H new ATOM 0 HB3 SER A 59 38.579 -5.670 36.461 1.00 0.00 H new ATOM 0 HG SER A 59 39.419 -7.827 36.309 1.00 0.00 H new ATOM 792 N ALA A 60 41.576 -3.945 37.734 1.00 0.00 N ATOM 793 CA ALA A 60 41.969 -2.979 38.751 1.00 0.00 C ATOM 794 C ALA A 60 42.543 -1.717 38.117 1.00 0.00 C ATOM 795 O ALA A 60 42.507 -0.641 38.713 1.00 0.00 O ATOM 796 CB ALA A 60 42.980 -3.598 39.705 1.00 0.00 C ATOM 0 H ALA A 60 42.011 -4.862 37.833 1.00 0.00 H new ATOM 0 HA ALA A 60 41.078 -2.699 39.314 1.00 0.00 H new ATOM 0 HB1 ALA A 60 43.265 -2.865 40.460 1.00 0.00 H new ATOM 0 HB2 ALA A 60 42.536 -4.466 40.192 1.00 0.00 H new ATOM 0 HB3 ALA A 60 43.864 -3.907 39.148 1.00 0.00 H new ATOM 802 N GLU A 61 43.071 -1.857 36.905 1.00 0.00 N ATOM 803 CA GLU A 61 43.655 -0.726 36.191 1.00 0.00 C ATOM 804 C GLU A 61 42.677 0.445 36.139 1.00 0.00 C ATOM 805 O GLU A 61 42.930 1.507 36.710 1.00 0.00 O ATOM 806 CB GLU A 61 44.050 -1.140 34.773 1.00 0.00 C ATOM 807 CG GLU A 61 45.464 -0.736 34.394 1.00 0.00 C ATOM 808 CD GLU A 61 46.517 -1.492 35.181 1.00 0.00 C ATOM 809 OE1 GLU A 61 46.678 -1.203 36.385 1.00 0.00 O ATOM 810 OE2 GLU A 61 47.181 -2.371 34.593 1.00 0.00 O ATOM 0 H GLU A 61 43.107 -2.741 36.397 1.00 0.00 H new ATOM 0 HA GLU A 61 44.548 -0.408 36.730 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.952 -2.222 34.679 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.351 -0.694 34.065 1.00 0.00 H new ATOM 0 HG2 GLU A 61 45.615 -0.912 33.329 1.00 0.00 H new ATOM 0 HG3 GLU A 61 45.589 0.334 34.561 1.00 0.00 H new ATOM 1021 N ARG A 79 20.732 7.396 19.283 1.00 0.00 N ATOM 1022 CA ARG A 79 19.881 6.770 18.278 1.00 0.00 C ATOM 1023 C ARG A 79 18.945 5.749 18.919 1.00 0.00 C ATOM 1024 O ARG A 79 17.865 5.470 18.399 1.00 0.00 O ATOM 1025 CB ARG A 79 20.736 6.089 17.207 1.00 0.00 C ATOM 1026 CG ARG A 79 20.975 6.953 15.979 1.00 0.00 C ATOM 1027 CD ARG A 79 19.750 6.995 15.080 1.00 0.00 C ATOM 1028 NE ARG A 79 20.098 7.278 13.691 1.00 0.00 N ATOM 1029 CZ ARG A 79 20.553 6.357 12.847 1.00 0.00 C ATOM 1030 NH1 ARG A 79 20.711 5.104 13.248 1.00 0.00 N ATOM 1031 NH2 ARG A 79 20.849 6.692 11.596 1.00 0.00 N ATOM 0 HA ARG A 79 19.279 7.550 17.812 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.698 5.816 17.641 1.00 0.00 H new ATOM 0 HB3 ARG A 79 20.250 5.163 16.900 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.234 7.965 16.290 1.00 0.00 H new ATOM 0 HG3 ARG A 79 21.825 6.564 15.419 1.00 0.00 H new ATOM 0 HD2 ARG A 79 19.228 6.040 15.135 1.00 0.00 H new ATOM 0 HD3 ARG A 79 19.060 7.757 15.443 1.00 0.00 H new ATOM 0 HE ARG A 79 19.986 8.233 13.350 1.00 0.00 H new ATOM 0 HH11 ARG A 79 20.483 4.843 14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 79 21.060 4.400 12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 79 20.727 7.655 11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 79 21.198 5.986 10.948 1.00 0.00 H new ATOM 1042 N ASP A 80 19.367 5.196 20.050 1.00 0.00 N ATOM 1043 CA ASP A 80 18.566 4.206 20.764 1.00 0.00 C ATOM 1044 C ASP A 80 17.409 4.874 21.500 1.00 0.00 C ATOM 1045 O ASP A 80 16.308 4.329 21.567 1.00 0.00 O ATOM 1046 CB ASP A 80 19.438 3.431 21.752 1.00 0.00 C ATOM 1047 CG ASP A 80 19.180 1.937 21.702 1.00 0.00 C ATOM 1048 OD1 ASP A 80 18.001 1.543 21.581 1.00 0.00 O ATOM 1049 OD2 ASP A 80 20.157 1.163 21.785 1.00 0.00 O ATOM 0 H ASP A 80 20.259 5.416 20.493 1.00 0.00 H new ATOM 0 HA ASP A 80 18.154 3.510 20.033 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.488 3.623 21.534 1.00 0.00 H new ATOM 0 HB3 ASP A 80 19.250 3.796 22.762 1.00 0.00 H new ATOM 1053 N TYR A 81 17.668 6.054 22.051 1.00 0.00 N ATOM 1054 CA TYR A 81 16.649 6.793 22.786 1.00 0.00 C ATOM 1055 C TYR A 81 15.681 7.485 21.832 1.00 0.00 C ATOM 1056 O TYR A 81 14.504 7.664 22.144 1.00 0.00 O ATOM 1057 CB TYR A 81 17.304 7.828 23.704 1.00 0.00 C ATOM 1058 CG TYR A 81 16.912 7.682 25.158 1.00 0.00 C ATOM 1059 CD1 TYR A 81 15.586 7.486 25.523 1.00 0.00 C ATOM 1060 CD2 TYR A 81 17.867 7.741 26.163 1.00 0.00 C ATOM 1061 CE1 TYR A 81 15.223 7.352 26.851 1.00 0.00 C ATOM 1062 CE2 TYR A 81 17.514 7.608 27.493 1.00 0.00 C ATOM 1063 CZ TYR A 81 16.191 7.414 27.831 1.00 0.00 C ATOM 1064 OH TYR A 81 15.835 7.282 29.153 1.00 0.00 O ATOM 0 H TYR A 81 18.574 6.519 22.003 1.00 0.00 H new ATOM 0 HA TYR A 81 16.087 6.082 23.391 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.387 7.744 23.618 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.034 8.827 23.362 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.826 7.437 24.757 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.904 7.893 25.902 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.188 7.200 27.119 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.270 7.656 28.263 1.00 0.00 H new ATOM 0 HH TYR A 81 16.635 7.348 29.715 1.00 0.00 H new ATOM 1073 N MET A 82 16.186 7.869 20.664 1.00 0.00 N ATOM 1074 CA MET A 82 15.366 8.537 19.660 1.00 0.00 C ATOM 1075 C MET A 82 14.441 7.545 18.963 1.00 0.00 C ATOM 1076 O MET A 82 13.227 7.740 18.917 1.00 0.00 O ATOM 1077 CB MET A 82 16.254 9.236 18.629 1.00 0.00 C ATOM 1078 CG MET A 82 16.620 10.661 19.008 1.00 0.00 C ATOM 1079 SD MET A 82 15.529 11.885 18.256 1.00 0.00 S ATOM 1080 CE MET A 82 14.470 12.289 19.643 1.00 0.00 C ATOM 0 H MET A 82 17.158 7.729 20.390 1.00 0.00 H new ATOM 0 HA MET A 82 14.753 9.282 20.166 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.168 8.658 18.498 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.742 9.245 17.667 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.583 10.765 20.092 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.647 10.861 18.704 1.00 0.00 H new ATOM 0 HE1 MET A 82 13.821 13.123 19.375 1.00 0.00 H new ATOM 0 HE2 MET A 82 13.860 11.423 19.900 1.00 0.00 H new ATOM 0 HE3 MET A 82 15.083 12.568 20.500 1.00 0.00 H new ATOM 1088 N GLY A 83 15.024 6.479 18.422 1.00 0.00 N ATOM 1089 CA GLY A 83 14.236 5.472 17.735 1.00 0.00 C ATOM 1090 C GLY A 83 13.139 4.898 18.609 1.00 0.00 C ATOM 1091 O GLY A 83 12.057 4.571 18.123 1.00 0.00 O ATOM 0 H GLY A 83 16.027 6.295 18.447 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.792 5.910 16.841 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.891 4.666 17.404 1.00 0.00 H new ATOM 1095 N ALA A 84 13.417 4.776 19.902 1.00 0.00 N ATOM 1096 CA ALA A 84 12.446 4.237 20.846 1.00 0.00 C ATOM 1097 C ALA A 84 11.145 5.032 20.807 1.00 0.00 C ATOM 1098 O ALA A 84 10.059 4.460 20.711 1.00 0.00 O ATOM 1099 CB ALA A 84 13.022 4.234 22.254 1.00 0.00 C ATOM 0 H ALA A 84 14.308 5.043 20.321 1.00 0.00 H new ATOM 0 HA ALA A 84 12.225 3.210 20.555 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.285 3.829 22.948 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.921 3.618 22.278 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.273 5.254 22.546 1.00 0.00 H new ATOM 1105 N ALA A 85 11.262 6.354 20.881 1.00 0.00 N ATOM 1106 CA ALA A 85 10.095 7.227 20.853 1.00 0.00 C ATOM 1107 C ALA A 85 9.285 7.019 19.579 1.00 0.00 C ATOM 1108 O ALA A 85 8.061 7.165 19.577 1.00 0.00 O ATOM 1109 CB ALA A 85 10.522 8.683 20.978 1.00 0.00 C ATOM 0 H ALA A 85 12.153 6.844 20.961 1.00 0.00 H new ATOM 0 HA ALA A 85 9.460 6.972 21.702 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.641 9.324 20.956 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.052 8.827 21.920 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.180 8.942 20.148 1.00 0.00 H new ATOM 1115 N LYS A 86 9.972 6.678 18.494 1.00 0.00 N ATOM 1116 CA LYS A 86 9.317 6.449 17.212 1.00 0.00 C ATOM 1117 C LYS A 86 8.376 5.252 17.290 1.00 0.00 C ATOM 1118 O LYS A 86 7.189 5.362 16.979 1.00 0.00 O ATOM 1119 CB LYS A 86 10.360 6.221 16.116 1.00 0.00 C ATOM 1120 CG LYS A 86 11.452 7.276 16.088 1.00 0.00 C ATOM 1121 CD LYS A 86 10.876 8.672 15.917 1.00 0.00 C ATOM 1122 CE LYS A 86 11.962 9.690 15.610 1.00 0.00 C ATOM 1123 NZ LYS A 86 11.821 10.921 16.437 1.00 0.00 N ATOM 0 H LYS A 86 10.984 6.554 18.477 1.00 0.00 H new ATOM 0 HA LYS A 86 8.731 7.335 16.968 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.816 5.241 16.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.860 6.202 15.148 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.027 7.230 17.013 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.143 7.064 15.272 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.142 8.667 15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.350 8.963 16.826 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.940 9.243 15.789 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.922 9.956 14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.581 11.589 16.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.899 11.363 16.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.885 10.672 17.445 1.00 0.00 H new ATOM 1133 N SER A 87 8.912 4.108 17.705 1.00 0.00 N ATOM 1134 CA SER A 87 8.119 2.890 17.819 1.00 0.00 C ATOM 1135 C SER A 87 6.976 3.076 18.813 1.00 0.00 C ATOM 1136 O SER A 87 5.838 2.689 18.548 1.00 0.00 O ATOM 1137 CB SER A 87 9.004 1.720 18.256 1.00 0.00 C ATOM 1138 OG SER A 87 8.482 0.487 17.795 1.00 0.00 O ATOM 0 H SER A 87 9.892 4.000 17.968 1.00 0.00 H new ATOM 0 HA SER A 87 7.693 2.670 16.840 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.013 1.859 17.869 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.079 1.703 19.343 1.00 0.00 H new ATOM 0 HG SER A 87 9.066 -0.245 18.085 1.00 0.00 H new ATOM 1143 N LYS A 88 7.288 3.672 19.959 1.00 0.00 N ATOM 1144 CA LYS A 88 6.290 3.913 20.993 1.00 0.00 C ATOM 1145 C LYS A 88 5.207 4.865 20.494 1.00 0.00 C ATOM 1146 O LYS A 88 4.015 4.573 20.595 1.00 0.00 O ATOM 1147 CB LYS A 88 6.952 4.490 22.246 1.00 0.00 C ATOM 1148 CG LYS A 88 7.736 3.465 23.046 1.00 0.00 C ATOM 1149 CD LYS A 88 6.822 2.411 23.649 1.00 0.00 C ATOM 1150 CE LYS A 88 6.658 2.608 25.149 1.00 0.00 C ATOM 1151 NZ LYS A 88 6.396 1.321 25.851 1.00 0.00 N ATOM 0 H LYS A 88 8.226 3.997 20.195 1.00 0.00 H new ATOM 0 HA LYS A 88 5.825 2.959 21.242 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.621 5.299 21.953 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.184 4.927 22.884 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.472 2.984 22.401 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.288 3.967 23.841 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.846 2.455 23.166 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.230 1.419 23.454 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.559 3.067 25.556 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.836 3.298 25.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.290 1.497 26.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.522 0.895 25.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.192 0.671 25.693 1.00 0.00 H new ATOM 1161 N LEU A 89 5.630 6.002 19.954 1.00 0.00 N ATOM 1162 CA LEU A 89 4.696 6.998 19.436 1.00 0.00 C ATOM 1163 C LEU A 89 3.712 6.363 18.457 1.00 0.00 C ATOM 1164 O LEU A 89 2.498 6.480 18.620 1.00 0.00 O ATOM 1165 CB LEU A 89 5.458 8.132 18.749 1.00 0.00 C ATOM 1166 CG LEU A 89 4.603 9.264 18.177 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.566 9.716 19.192 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.481 10.431 17.752 1.00 0.00 C ATOM 0 H LEU A 89 6.613 6.258 19.863 1.00 0.00 H new ATOM 0 HA LEU A 89 4.133 7.405 20.276 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.158 8.559 19.467 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.051 7.706 17.939 1.00 0.00 H new ATOM 0 HG LEU A 89 4.079 8.890 17.297 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.968 10.522 18.767 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.917 8.878 19.447 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.068 10.073 20.091 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.857 11.228 17.347 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.032 10.805 18.615 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.184 10.098 16.989 1.00 0.00 H new ATOM 1179 N ASN A 90 4.245 5.690 17.444 1.00 0.00 N ATOM 1180 CA ASN A 90 3.414 5.037 16.440 1.00 0.00 C ATOM 1181 C ASN A 90 2.479 4.019 17.087 1.00 0.00 C ATOM 1182 O ASN A 90 1.400 3.734 16.566 1.00 0.00 O ATOM 1183 CB ASN A 90 4.291 4.347 15.392 1.00 0.00 C ATOM 1184 CG ASN A 90 3.916 4.738 13.976 1.00 0.00 C ATOM 1185 OD1 ASN A 90 2.736 4.828 13.637 1.00 0.00 O ATOM 1186 ND2 ASN A 90 4.922 4.972 13.141 1.00 0.00 N ATOM 0 H ASN A 90 5.248 5.582 17.296 1.00 0.00 H new ATOM 0 HA ASN A 90 2.809 5.801 15.952 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.335 4.602 15.572 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.203 3.266 15.503 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.732 5.238 12.175 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.885 4.885 13.466 1.00 0.00 H new ATOM 1192 N ASP A 91 2.900 3.475 18.223 1.00 0.00 N ATOM 1193 CA ASP A 91 2.101 2.490 18.942 1.00 0.00 C ATOM 1194 C ASP A 91 0.882 3.145 19.584 1.00 0.00 C ATOM 1195 O ASP A 91 -0.191 2.547 19.654 1.00 0.00 O ATOM 1196 CB ASP A 91 2.947 1.798 20.011 1.00 0.00 C ATOM 1197 CG ASP A 91 2.970 0.291 19.845 1.00 0.00 C ATOM 1198 OD1 ASP A 91 3.543 -0.188 18.845 1.00 0.00 O ATOM 1199 OD2 ASP A 91 2.415 -0.409 20.718 1.00 0.00 O ATOM 0 H ASP A 91 3.791 3.700 18.666 1.00 0.00 H new ATOM 0 HA ASP A 91 1.756 1.745 18.226 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.967 2.181 19.968 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.555 2.046 20.997 1.00 0.00 H new ATOM 1203 N ALA A 92 1.056 4.377 20.053 1.00 0.00 N ATOM 1204 CA ALA A 92 -0.029 5.112 20.689 1.00 0.00 C ATOM 1205 C ALA A 92 -0.942 5.752 19.648 1.00 0.00 C ATOM 1206 O ALA A 92 -2.167 5.665 19.745 1.00 0.00 O ATOM 1207 CB ALA A 92 0.529 6.172 21.626 1.00 0.00 C ATOM 0 H ALA A 92 1.938 4.886 20.004 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.622 4.405 21.270 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.293 6.713 22.094 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.134 5.694 22.397 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.147 6.869 21.060 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.340 6.395 18.653 1.00 0.00 N ATOM 1214 CA VAL A 93 -1.098 7.048 17.594 1.00 0.00 C ATOM 1215 C VAL A 93 -2.093 6.085 16.956 1.00 0.00 C ATOM 1216 O VAL A 93 -3.290 6.361 16.902 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.169 7.608 16.501 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.959 8.445 15.506 1.00 0.00 C ATOM 1219 CG2 VAL A 93 0.953 8.425 17.123 1.00 0.00 C ATOM 0 H VAL A 93 0.672 6.477 18.559 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.640 7.873 18.056 1.00 0.00 H new ATOM 0 HB VAL A 93 0.276 6.771 15.963 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.286 8.832 14.741 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.724 7.826 15.037 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.434 9.277 16.026 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.600 8.813 16.336 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.529 9.256 17.687 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.536 7.792 17.793 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.588 4.953 16.475 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.433 3.950 15.839 1.00 0.00 C ATOM 1231 C GLU A 94 -3.640 3.624 16.713 1.00 0.00 C ATOM 1232 O GLU A 94 -4.738 3.388 16.209 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.630 2.676 15.564 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.575 2.298 14.094 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.234 0.962 13.809 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -3.374 0.752 14.275 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -1.610 0.127 13.122 1.00 0.00 O ATOM 0 H GLU A 94 -0.599 4.708 16.514 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.790 4.358 14.893 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.614 2.810 15.934 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.068 1.852 16.126 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.065 3.073 13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.535 2.262 13.771 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.429 3.613 18.024 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.498 3.314 18.969 1.00 0.00 C ATOM 1244 C TYR A 95 -5.435 4.508 19.129 1.00 0.00 C ATOM 1245 O TYR A 95 -6.653 4.351 19.204 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.914 2.925 20.328 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.947 2.416 21.308 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.801 3.292 21.964 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -5.067 1.057 21.577 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.745 2.832 22.860 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -6.010 0.589 22.472 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.847 1.479 23.111 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.786 1.016 24.004 1.00 0.00 O ATOM 0 H TYR A 95 -2.526 3.808 18.457 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.071 2.475 18.574 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.155 2.157 20.181 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.412 3.791 20.759 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.726 4.352 21.770 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.413 0.357 21.079 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.401 3.528 23.362 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.091 -0.470 22.670 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.726 0.040 24.065 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.854 5.703 19.179 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.635 6.926 19.328 1.00 0.00 C ATOM 1264 C VAL A 96 -6.526 7.160 18.114 1.00 0.00 C ATOM 1265 O VAL A 96 -7.730 7.381 18.248 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.725 8.152 19.527 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.556 9.399 19.789 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.743 7.907 20.663 1.00 0.00 C ATOM 0 H VAL A 96 -3.846 5.850 19.119 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.258 6.798 20.213 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.155 8.311 18.612 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.895 10.254 19.927 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.214 9.582 18.940 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.155 9.255 20.688 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.108 8.783 20.790 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.293 7.721 21.585 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.124 7.041 20.428 1.00 0.00 H new ATOM 1278 N SER A 97 -5.928 7.110 16.929 1.00 0.00 N ATOM 1279 CA SER A 97 -6.668 7.320 15.689 1.00 0.00 C ATOM 1280 C SER A 97 -7.788 6.295 15.544 1.00 0.00 C ATOM 1281 O SER A 97 -8.832 6.578 14.958 1.00 0.00 O ATOM 1282 CB SER A 97 -5.724 7.235 14.488 1.00 0.00 C ATOM 1283 OG SER A 97 -5.809 8.403 13.689 1.00 0.00 O ATOM 0 H SER A 97 -4.933 6.926 16.800 1.00 0.00 H new ATOM 0 HA SER A 97 -7.113 8.315 15.724 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.699 7.102 14.835 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.973 6.360 13.887 1.00 0.00 H new ATOM 0 HG SER A 97 -5.195 8.325 12.929 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.562 5.101 16.084 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.561 4.050 16.004 1.00 0.00 C ATOM 1290 C GLY A 98 -9.676 4.234 17.013 1.00 0.00 C ATOM 1291 O GLY A 98 -10.777 3.713 16.834 1.00 0.00 O ATOM 0 H GLY A 98 -6.706 4.843 16.575 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.984 4.030 14.999 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.082 3.084 16.168 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.393 4.975 18.080 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.380 5.223 19.123 1.00 0.00 C ATOM 1297 C ARG A 99 -11.215 6.457 18.799 1.00 0.00 C ATOM 1298 O ARG A 99 -12.443 6.425 18.867 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.688 5.402 20.477 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.748 4.166 21.359 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.879 4.258 22.372 1.00 0.00 C ATOM 1302 NE ARG A 99 -10.698 3.323 23.480 1.00 0.00 N ATOM 1303 CZ ARG A 99 -11.563 3.194 24.479 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -12.662 3.935 24.510 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -11.330 2.323 25.452 1.00 0.00 N ATOM 0 H ARG A 99 -8.487 5.414 18.244 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.044 4.360 19.173 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.644 5.668 20.310 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.150 6.237 21.004 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.886 3.281 20.738 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.799 4.044 21.882 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.936 5.275 22.761 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.828 4.053 21.876 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.862 2.738 23.486 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.845 4.607 23.765 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.324 3.833 25.279 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.485 1.751 25.433 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.995 2.225 26.219 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.539 7.547 18.447 1.00 0.00 N ATOM 1317 CA VAL A 100 -11.218 8.793 18.112 1.00 0.00 C ATOM 1318 C VAL A 100 -12.304 8.563 17.067 1.00 0.00 C ATOM 1319 O VAL A 100 -13.401 9.115 17.163 1.00 0.00 O ATOM 1320 CB VAL A 100 -10.227 9.847 17.583 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.967 11.104 17.148 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -9.182 10.172 18.639 1.00 0.00 C ATOM 0 H VAL A 100 -9.522 7.592 18.387 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.674 9.162 19.031 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.715 9.436 16.713 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.251 11.838 16.777 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.674 10.855 16.357 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.507 11.521 17.998 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.490 10.918 18.249 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.674 10.564 19.529 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.632 9.267 18.897 1.00 0.00 H new