USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 290 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 449 ASN : amide:sc= 1.1 K(o=2.2,f=-8.2!) USER MOD Set 1.2: A 452 THR OG1 : rot -62:sc= 1.1 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -107:sc= 1.23 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 169:sc=-0.00743 (180deg=-0.124) USER MOD Single : A 440 THR OG1 : rot 134:sc= 0.756 USER MOD Single : A 444 LYS NZ :NH3+ -137:sc= 1.22 (180deg=0.52) USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.828 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.0343 K(o=-0.034,f=-0.73) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 46:sc= 1.25 USER MOD Single : A 459 LYS NZ :NH3+ 156:sc= 1.46 (180deg=1.23) USER MOD Single : A 461 GLN : amide:sc= -0.812 K(o=-0.81,f=-0.016) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 18.956 14.348 5.069 1.00 15.00 N ATOM 2 CA GLY A 428 18.366 13.854 3.803 1.00 15.00 C ATOM 3 C GLY A 428 17.638 12.542 3.992 1.00 15.00 C ATOM 4 O GLY A 428 18.255 11.478 3.957 1.00 15.00 O ATOM 0 HA2 GLY A 428 17.674 14.599 3.410 1.00 15.00 H new ATOM 0 HA3 GLY A 428 19.154 13.728 3.061 1.00 15.00 H new ATOM 10 N ALA A 429 16.330 12.604 4.211 1.00 15.00 N ATOM 11 CA ALA A 429 15.533 11.398 4.368 1.00 15.00 C ATOM 12 C ALA A 429 14.937 10.978 3.028 1.00 15.00 C ATOM 13 O ALA A 429 15.175 9.861 2.565 1.00 15.00 O ATOM 14 CB ALA A 429 14.443 11.605 5.412 1.00 15.00 C ATOM 0 H ALA A 429 15.802 13.474 4.283 1.00 15.00 H new ATOM 0 HA ALA A 429 16.182 10.595 4.718 1.00 15.00 H new ATOM 0 HB1 ALA A 429 13.858 10.691 5.514 1.00 15.00 H new ATOM 0 HB2 ALA A 429 14.899 11.853 6.370 1.00 15.00 H new ATOM 0 HB3 ALA A 429 13.790 12.420 5.100 1.00 15.00 H new ATOM 20 N THR A 430 14.180 11.888 2.408 1.00 15.00 N ATOM 21 CA THR A 430 13.562 11.654 1.101 1.00 15.00 C ATOM 22 C THR A 430 12.421 10.634 1.173 1.00 15.00 C ATOM 23 O THR A 430 11.278 10.954 0.843 1.00 15.00 O ATOM 24 CB THR A 430 14.606 11.207 0.054 1.00 15.00 C ATOM 25 OG1 THR A 430 15.616 12.218 -0.080 1.00 15.00 O ATOM 26 CG2 THR A 430 13.955 10.956 -1.300 1.00 15.00 C ATOM 0 H THR A 430 13.979 12.808 2.799 1.00 15.00 H new ATOM 0 HA THR A 430 13.138 12.608 0.787 1.00 15.00 H new ATOM 0 HB THR A 430 15.055 10.275 0.396 1.00 15.00 H new ATOM 0 HG1 THR A 430 16.279 11.933 -0.743 1.00 15.00 H new ATOM 0 HG21 THR A 430 14.714 10.643 -2.016 1.00 15.00 H new ATOM 0 HG22 THR A 430 13.203 10.173 -1.203 1.00 15.00 H new ATOM 0 HG23 THR A 430 13.481 11.872 -1.651 1.00 15.00 H new ATOM 34 N ALA A 431 12.726 9.422 1.612 1.00 15.00 N ATOM 35 CA ALA A 431 11.738 8.355 1.661 1.00 15.00 C ATOM 36 C ALA A 431 10.827 8.499 2.874 1.00 15.00 C ATOM 37 O ALA A 431 11.228 8.223 4.004 1.00 15.00 O ATOM 38 CB ALA A 431 12.426 6.997 1.672 1.00 15.00 C ATOM 0 H ALA A 431 13.653 9.152 1.940 1.00 15.00 H new ATOM 0 HA ALA A 431 11.119 8.430 0.767 1.00 15.00 H new ATOM 0 HB1 ALA A 431 11.674 6.209 1.709 1.00 15.00 H new ATOM 0 HB2 ALA A 431 13.025 6.885 0.768 1.00 15.00 H new ATOM 0 HB3 ALA A 431 13.072 6.923 2.547 1.00 15.00 H new ATOM 44 N VAL A 432 9.605 8.955 2.632 1.00 15.00 N ATOM 45 CA VAL A 432 8.606 9.081 3.683 1.00 15.00 C ATOM 46 C VAL A 432 7.279 8.492 3.214 1.00 15.00 C ATOM 47 O VAL A 432 6.751 8.889 2.174 1.00 15.00 O ATOM 48 CB VAL A 432 8.406 10.552 4.127 1.00 15.00 C ATOM 49 CG1 VAL A 432 9.607 11.039 4.925 1.00 15.00 C ATOM 50 CG2 VAL A 432 8.169 11.461 2.928 1.00 15.00 C ATOM 0 H VAL A 432 9.281 9.246 1.710 1.00 15.00 H new ATOM 0 HA VAL A 432 8.970 8.526 4.548 1.00 15.00 H new ATOM 0 HB VAL A 432 7.522 10.590 4.764 1.00 15.00 H new ATOM 0 HG11 VAL A 432 9.447 12.074 5.228 1.00 15.00 H new ATOM 0 HG12 VAL A 432 9.731 10.417 5.811 1.00 15.00 H new ATOM 0 HG13 VAL A 432 10.504 10.976 4.308 1.00 15.00 H new ATOM 0 HG21 VAL A 432 8.032 12.487 3.270 1.00 15.00 H new ATOM 0 HG22 VAL A 432 9.029 11.413 2.260 1.00 15.00 H new ATOM 0 HG23 VAL A 432 7.276 11.134 2.395 1.00 15.00 H new ATOM 60 N SER A 433 6.762 7.532 3.977 1.00 15.00 N ATOM 61 CA SER A 433 5.558 6.796 3.602 1.00 15.00 C ATOM 62 C SER A 433 5.762 6.086 2.267 1.00 15.00 C ATOM 63 O SER A 433 5.296 6.537 1.216 1.00 15.00 O ATOM 64 CB SER A 433 4.332 7.714 3.556 1.00 15.00 C ATOM 65 OG SER A 433 3.994 8.176 4.855 1.00 15.00 O ATOM 0 H SER A 433 7.164 7.243 4.869 1.00 15.00 H new ATOM 0 HA SER A 433 5.371 6.043 4.367 1.00 15.00 H new ATOM 0 HB2 SER A 433 4.534 8.564 2.905 1.00 15.00 H new ATOM 0 HB3 SER A 433 3.487 7.177 3.126 1.00 15.00 H new ATOM 0 HG SER A 433 3.182 7.721 5.163 1.00 15.00 H new ATOM 71 N GLU A 434 6.525 5.006 2.314 1.00 15.00 N ATOM 72 CA GLU A 434 6.846 4.240 1.127 1.00 15.00 C ATOM 73 C GLU A 434 5.811 3.149 0.905 1.00 15.00 C ATOM 74 O GLU A 434 5.862 2.098 1.544 1.00 15.00 O ATOM 75 CB GLU A 434 8.234 3.610 1.248 1.00 15.00 C ATOM 76 CG GLU A 434 9.257 4.489 1.959 1.00 15.00 C ATOM 77 CD GLU A 434 9.301 4.250 3.461 1.00 15.00 C ATOM 78 OE1 GLU A 434 8.297 4.535 4.152 1.00 15.00 O ATOM 79 OE2 GLU A 434 10.342 3.771 3.951 1.00 15.00 O ATOM 0 H GLU A 434 6.936 4.639 3.173 1.00 15.00 H new ATOM 0 HA GLU A 434 6.840 4.920 0.275 1.00 15.00 H new ATOM 0 HB2 GLU A 434 8.147 2.665 1.785 1.00 15.00 H new ATOM 0 HB3 GLU A 434 8.603 3.376 0.250 1.00 15.00 H new ATOM 0 HG2 GLU A 434 10.245 4.302 1.537 1.00 15.00 H new ATOM 0 HG3 GLU A 434 9.023 5.537 1.770 1.00 15.00 H new ATOM 86 N TRP A 435 4.858 3.413 0.028 1.00 15.00 N ATOM 87 CA TRP A 435 3.794 2.465 -0.252 1.00 15.00 C ATOM 88 C TRP A 435 3.681 2.215 -1.745 1.00 15.00 C ATOM 89 O TRP A 435 3.393 3.131 -2.515 1.00 15.00 O ATOM 90 CB TRP A 435 2.456 2.982 0.269 1.00 15.00 C ATOM 91 CG TRP A 435 2.397 3.151 1.753 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.766 4.251 2.472 1.00 15.00 C ATOM 93 CD2 TRP A 435 1.930 2.189 2.699 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.547 4.032 3.807 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.035 2.773 3.974 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.428 0.890 2.590 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.657 2.103 5.133 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.054 0.224 3.739 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.169 0.831 4.997 1.00 15.00 C ATOM 0 H TRP A 435 4.800 4.281 -0.505 1.00 15.00 H new ATOM 0 HA TRP A 435 4.041 1.532 0.255 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.242 3.941 -0.203 1.00 15.00 H new ATOM 0 HB3 TRP A 435 1.669 2.293 -0.038 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.171 5.160 2.051 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.735 4.699 4.555 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.334 0.416 1.624 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.745 2.569 6.103 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.666 -0.781 3.668 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.866 0.284 5.878 1.00 15.00 H new ATOM 110 N THR A 436 3.915 0.984 -2.152 1.00 15.00 N ATOM 111 CA THR A 436 3.770 0.612 -3.545 1.00 15.00 C ATOM 112 C THR A 436 2.565 -0.308 -3.718 1.00 15.00 C ATOM 113 O THR A 436 2.510 -1.388 -3.127 1.00 15.00 O ATOM 114 CB THR A 436 5.040 -0.088 -4.064 1.00 15.00 C ATOM 115 OG1 THR A 436 6.204 0.633 -3.633 1.00 15.00 O ATOM 116 CG2 THR A 436 5.027 -0.170 -5.584 1.00 15.00 C ATOM 0 H THR A 436 4.207 0.224 -1.538 1.00 15.00 H new ATOM 0 HA THR A 436 3.617 1.522 -4.126 1.00 15.00 H new ATOM 0 HB THR A 436 5.065 -1.100 -3.659 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.009 0.183 -3.964 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.933 -0.668 -5.929 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.155 -0.736 -5.910 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.984 0.836 -6.002 1.00 15.00 H new ATOM 124 N GLU A 437 1.591 0.136 -4.503 1.00 15.00 N ATOM 125 CA GLU A 437 0.382 -0.644 -4.728 1.00 15.00 C ATOM 126 C GLU A 437 0.531 -1.569 -5.927 1.00 15.00 C ATOM 127 O GLU A 437 0.687 -1.122 -7.064 1.00 15.00 O ATOM 128 CB GLU A 437 -0.836 0.268 -4.892 1.00 15.00 C ATOM 129 CG GLU A 437 -0.571 1.534 -5.689 1.00 15.00 C ATOM 130 CD GLU A 437 -1.821 2.374 -5.874 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.272 3.006 -4.893 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.362 2.391 -6.999 1.00 15.00 O ATOM 0 H GLU A 437 1.615 1.030 -4.993 1.00 15.00 H new ATOM 0 HA GLU A 437 0.225 -1.267 -3.847 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.632 -0.294 -5.380 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.202 0.546 -3.904 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.190 2.127 -5.181 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -0.168 1.267 -6.666 1.00 15.00 H new ATOM 139 N TYR A 438 0.490 -2.865 -5.653 1.00 15.00 N ATOM 140 CA TYR A 438 0.642 -3.878 -6.684 1.00 15.00 C ATOM 141 C TYR A 438 -0.706 -4.478 -7.059 1.00 15.00 C ATOM 142 O TYR A 438 -1.465 -4.923 -6.195 1.00 15.00 O ATOM 143 CB TYR A 438 1.585 -4.981 -6.209 1.00 15.00 C ATOM 144 CG TYR A 438 3.025 -4.542 -6.084 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.837 -4.458 -7.204 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.573 -4.215 -4.849 1.00 15.00 C ATOM 147 CE1 TYR A 438 5.153 -4.060 -7.102 1.00 15.00 C ATOM 148 CE2 TYR A 438 4.892 -3.814 -4.739 1.00 15.00 C ATOM 149 CZ TYR A 438 5.678 -3.739 -5.871 1.00 15.00 C ATOM 150 OH TYR A 438 6.991 -3.336 -5.774 1.00 15.00 O ATOM 0 H TYR A 438 0.351 -3.241 -4.715 1.00 15.00 H new ATOM 0 HA TYR A 438 1.067 -3.400 -7.567 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.242 -5.348 -5.242 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.529 -5.818 -6.905 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.432 -4.709 -8.173 1.00 15.00 H new ATOM 0 HD2 TYR A 438 2.960 -4.275 -3.962 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.770 -4.000 -7.986 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.304 -3.561 -3.773 1.00 15.00 H new ATOM 0 HH TYR A 438 7.206 -3.145 -4.837 1.00 15.00 H new ATOM 160 N LYS A 439 -0.989 -4.488 -8.353 1.00 15.00 N ATOM 161 CA LYS A 439 -2.221 -5.060 -8.871 1.00 15.00 C ATOM 162 C LYS A 439 -1.970 -6.467 -9.405 1.00 15.00 C ATOM 163 O LYS A 439 -1.076 -6.682 -10.224 1.00 15.00 O ATOM 164 CB LYS A 439 -2.782 -4.161 -9.983 1.00 15.00 C ATOM 165 CG LYS A 439 -4.026 -4.712 -10.672 1.00 15.00 C ATOM 166 CD LYS A 439 -5.202 -4.836 -9.715 1.00 15.00 C ATOM 167 CE LYS A 439 -5.691 -3.480 -9.232 1.00 15.00 C ATOM 168 NZ LYS A 439 -6.270 -2.660 -10.329 1.00 15.00 N ATOM 0 H LYS A 439 -0.374 -4.102 -9.070 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.949 -5.124 -8.063 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.019 -3.185 -9.559 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -2.006 -4.004 -10.732 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.300 -4.059 -11.500 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.801 -5.690 -11.098 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -6.019 -5.360 -10.211 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.909 -5.442 -8.858 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.442 -3.624 -8.455 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.861 -2.939 -8.777 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -6.754 -1.832 -9.926 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.510 -2.342 -10.963 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.952 -3.232 -10.867 1.00 15.00 H new ATOM 182 N THR A 440 -2.756 -7.418 -8.937 1.00 15.00 N ATOM 183 CA THR A 440 -2.676 -8.784 -9.421 1.00 15.00 C ATOM 184 C THR A 440 -3.608 -8.963 -10.610 1.00 15.00 C ATOM 185 O THR A 440 -4.617 -8.263 -10.720 1.00 15.00 O ATOM 186 CB THR A 440 -3.044 -9.804 -8.328 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.390 -9.594 -7.901 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.109 -9.690 -7.136 1.00 15.00 C ATOM 0 H THR A 440 -3.462 -7.268 -8.217 1.00 15.00 H new ATOM 0 HA THR A 440 -1.644 -8.967 -9.719 1.00 15.00 H new ATOM 0 HB THR A 440 -2.944 -10.804 -8.750 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.855 -10.455 -7.849 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.392 -10.422 -6.380 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.085 -9.879 -7.458 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.178 -8.687 -6.714 1.00 15.00 H new ATOM 196 N ALA A 441 -3.249 -9.870 -11.512 1.00 15.00 N ATOM 197 CA ALA A 441 -4.028 -10.110 -12.726 1.00 15.00 C ATOM 198 C ALA A 441 -5.505 -10.382 -12.427 1.00 15.00 C ATOM 199 O ALA A 441 -6.371 -10.058 -13.239 1.00 15.00 O ATOM 200 CB ALA A 441 -3.435 -11.271 -13.508 1.00 15.00 C ATOM 0 H ALA A 441 -2.418 -10.456 -11.426 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.979 -9.200 -13.324 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.023 -11.440 -14.410 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.407 -11.036 -13.784 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.449 -12.170 -12.891 1.00 15.00 H new ATOM 206 N ASP A 442 -5.795 -10.960 -11.263 1.00 15.00 N ATOM 207 CA ASP A 442 -7.171 -11.306 -10.900 1.00 15.00 C ATOM 208 C ASP A 442 -7.897 -10.121 -10.259 1.00 15.00 C ATOM 209 O ASP A 442 -9.070 -10.222 -9.900 1.00 15.00 O ATOM 210 CB ASP A 442 -7.207 -12.522 -9.965 1.00 15.00 C ATOM 211 CG ASP A 442 -6.641 -12.240 -8.589 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.454 -11.868 -8.496 1.00 15.00 O ATOM 213 OD2 ASP A 442 -7.377 -12.413 -7.594 1.00 15.00 O ATOM 0 H ASP A 442 -5.099 -11.199 -10.556 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.693 -11.564 -11.822 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -8.238 -12.862 -9.863 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.646 -13.338 -10.420 1.00 15.00 H new ATOM 218 N GLY A 443 -7.203 -8.995 -10.146 1.00 15.00 N ATOM 219 CA GLY A 443 -7.833 -7.774 -9.676 1.00 15.00 C ATOM 220 C GLY A 443 -7.772 -7.584 -8.172 1.00 15.00 C ATOM 221 O GLY A 443 -8.741 -7.129 -7.563 1.00 15.00 O ATOM 0 H GLY A 443 -6.212 -8.905 -10.372 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.354 -6.922 -10.159 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -8.877 -7.773 -9.989 1.00 15.00 H new ATOM 225 N LYS A 444 -6.643 -7.923 -7.568 1.00 15.00 N ATOM 226 CA LYS A 444 -6.419 -7.635 -6.155 1.00 15.00 C ATOM 227 C LYS A 444 -5.313 -6.598 -6.013 1.00 15.00 C ATOM 228 O LYS A 444 -4.310 -6.654 -6.725 1.00 15.00 O ATOM 229 CB LYS A 444 -6.039 -8.900 -5.381 1.00 15.00 C ATOM 230 CG LYS A 444 -7.155 -9.925 -5.266 1.00 15.00 C ATOM 231 CD LYS A 444 -6.810 -10.990 -4.236 1.00 15.00 C ATOM 232 CE LYS A 444 -7.962 -11.952 -4.010 1.00 15.00 C ATOM 233 NZ LYS A 444 -8.129 -12.911 -5.133 1.00 15.00 N ATOM 0 H LYS A 444 -5.868 -8.397 -8.031 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.348 -7.247 -5.737 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.183 -9.366 -5.869 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.719 -8.616 -4.379 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.083 -9.428 -4.984 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.326 -10.393 -6.236 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -5.933 -11.545 -4.568 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.546 -10.511 -3.293 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -7.794 -12.505 -3.086 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -8.884 -11.386 -3.879 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -9.139 -13.009 -5.359 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -7.620 -12.559 -5.969 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -7.745 -13.838 -4.858 1.00 15.00 H new ATOM 247 N THR A 445 -5.486 -5.664 -5.092 1.00 15.00 N ATOM 248 CA THR A 445 -4.496 -4.621 -4.877 1.00 15.00 C ATOM 249 C THR A 445 -3.955 -4.679 -3.453 1.00 15.00 C ATOM 250 O THR A 445 -4.703 -4.481 -2.492 1.00 15.00 O ATOM 251 CB THR A 445 -5.096 -3.224 -5.120 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.950 -3.249 -6.269 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.998 -2.188 -5.324 1.00 15.00 C ATOM 0 H THR A 445 -6.301 -5.607 -4.482 1.00 15.00 H new ATOM 0 HA THR A 445 -3.687 -4.793 -5.587 1.00 15.00 H new ATOM 0 HB THR A 445 -5.677 -2.947 -4.240 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.328 -2.357 -6.415 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.448 -1.210 -5.494 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.366 -2.148 -4.437 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.393 -2.464 -6.188 1.00 15.00 H new ATOM 261 N TYR A 446 -2.669 -4.962 -3.312 1.00 15.00 N ATOM 262 CA TYR A 446 -2.042 -4.947 -2.002 1.00 15.00 C ATOM 263 C TYR A 446 -0.973 -3.863 -1.942 1.00 15.00 C ATOM 264 O TYR A 446 -0.151 -3.721 -2.853 1.00 15.00 O ATOM 265 CB TYR A 446 -1.468 -6.324 -1.631 1.00 15.00 C ATOM 266 CG TYR A 446 -0.400 -6.857 -2.561 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.738 -7.548 -3.717 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.947 -6.690 -2.266 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.237 -8.057 -4.552 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.926 -7.193 -3.099 1.00 15.00 C ATOM 271 CZ TYR A 446 1.566 -7.876 -4.240 1.00 15.00 C ATOM 272 OH TYR A 446 2.538 -8.387 -5.068 1.00 15.00 O ATOM 0 H TYR A 446 -2.045 -5.203 -4.082 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.808 -4.715 -1.262 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.053 -6.266 -0.625 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.287 -7.042 -1.597 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.779 -7.690 -3.967 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.233 -6.158 -1.371 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.042 -8.595 -5.446 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.969 -7.052 -2.857 1.00 15.00 H new ATOM 0 HH TYR A 446 3.423 -8.171 -4.706 1.00 15.00 H new ATOM 282 N TYR A 447 -1.013 -3.094 -0.869 1.00 15.00 N ATOM 283 CA TYR A 447 -0.113 -1.974 -0.674 1.00 15.00 C ATOM 284 C TYR A 447 1.062 -2.402 0.187 1.00 15.00 C ATOM 285 O TYR A 447 0.898 -2.758 1.356 1.00 15.00 O ATOM 286 CB TYR A 447 -0.871 -0.811 -0.028 1.00 15.00 C ATOM 287 CG TYR A 447 -2.175 -0.501 -0.733 1.00 15.00 C ATOM 288 CD1 TYR A 447 -2.209 0.329 -1.844 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.370 -1.059 -0.298 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.396 0.593 -2.499 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.561 -0.797 -0.947 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.568 0.029 -2.047 1.00 15.00 C ATOM 293 OH TYR A 447 -5.752 0.292 -2.696 1.00 15.00 O ATOM 0 H TYR A 447 -1.675 -3.230 -0.105 1.00 15.00 H new ATOM 0 HA TYR A 447 0.273 -1.642 -1.638 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.075 -1.050 1.016 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.239 0.077 -0.034 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -1.293 0.776 -2.202 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.368 -1.710 0.564 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -3.405 1.240 -3.364 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.481 -1.238 -0.593 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.483 -0.185 -2.250 1.00 15.00 H new ATOM 303 N TYR A 448 2.240 -2.389 -0.412 1.00 15.00 N ATOM 304 CA TYR A 448 3.444 -2.865 0.244 1.00 15.00 C ATOM 305 C TYR A 448 4.267 -1.690 0.767 1.00 15.00 C ATOM 306 O TYR A 448 4.707 -0.835 -0.007 1.00 15.00 O ATOM 307 CB TYR A 448 4.260 -3.692 -0.751 1.00 15.00 C ATOM 308 CG TYR A 448 5.358 -4.528 -0.131 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.090 -5.800 0.359 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.663 -4.058 -0.061 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.094 -6.582 0.900 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.670 -4.830 0.484 1.00 15.00 C ATOM 313 CZ TYR A 448 7.382 -6.092 0.960 1.00 15.00 C ATOM 314 OH TYR A 448 8.388 -6.873 1.485 1.00 15.00 O ATOM 0 H TYR A 448 2.388 -2.050 -1.362 1.00 15.00 H new ATOM 0 HA TYR A 448 3.172 -3.489 1.095 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.584 -4.351 -1.295 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.705 -3.018 -1.483 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.082 -6.184 0.317 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.894 -3.073 -0.439 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.871 -7.571 1.273 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.678 -4.447 0.537 1.00 15.00 H new ATOM 0 HH TYR A 448 9.235 -6.381 1.453 1.00 15.00 H new ATOM 324 N ASN A 449 4.452 -1.643 2.078 1.00 15.00 N ATOM 325 CA ASN A 449 5.273 -0.613 2.701 1.00 15.00 C ATOM 326 C ASN A 449 6.674 -1.148 2.953 1.00 15.00 C ATOM 327 O ASN A 449 6.853 -2.105 3.711 1.00 15.00 O ATOM 328 CB ASN A 449 4.641 -0.134 4.012 1.00 15.00 C ATOM 329 CG ASN A 449 5.512 0.869 4.752 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.347 0.496 5.572 1.00 15.00 O ATOM 331 ND2 ASN A 449 5.330 2.148 4.464 1.00 15.00 N ATOM 0 H ASN A 449 4.043 -2.309 2.734 1.00 15.00 H new ATOM 0 HA ASN A 449 5.335 0.238 2.023 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.673 0.319 3.799 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.456 -0.993 4.657 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.893 2.861 4.929 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.627 2.421 3.777 1.00 15.00 H new ATOM 338 N ASN A 450 7.663 -0.521 2.327 1.00 15.00 N ATOM 339 CA ASN A 450 9.040 -1.015 2.370 1.00 15.00 C ATOM 340 C ASN A 450 9.694 -0.762 3.724 1.00 15.00 C ATOM 341 O ASN A 450 10.715 -1.365 4.051 1.00 15.00 O ATOM 342 CB ASN A 450 9.891 -0.361 1.274 1.00 15.00 C ATOM 343 CG ASN A 450 9.362 -0.614 -0.125 1.00 15.00 C ATOM 344 OD1 ASN A 450 8.749 -1.642 -0.400 1.00 15.00 O ATOM 345 ND2 ASN A 450 9.598 0.330 -1.023 1.00 15.00 N ATOM 0 H ASN A 450 7.540 0.332 1.782 1.00 15.00 H new ATOM 0 HA ASN A 450 8.990 -2.091 2.203 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.935 0.714 1.450 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.912 -0.737 1.343 1.00 15.00 H new ATOM 0 HD21 ASN A 450 9.267 0.217 -1.981 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.111 1.170 -0.757 1.00 15.00 H new ATOM 352 N ARG A 451 9.113 0.135 4.507 1.00 15.00 N ATOM 353 CA ARG A 451 9.700 0.524 5.783 1.00 15.00 C ATOM 354 C ARG A 451 9.438 -0.538 6.848 1.00 15.00 C ATOM 355 O ARG A 451 10.251 -0.748 7.749 1.00 15.00 O ATOM 356 CB ARG A 451 9.128 1.867 6.242 1.00 15.00 C ATOM 357 CG ARG A 451 9.913 2.540 7.357 1.00 15.00 C ATOM 358 CD ARG A 451 11.224 3.128 6.852 1.00 15.00 C ATOM 359 NE ARG A 451 12.265 2.117 6.657 1.00 15.00 N ATOM 360 CZ ARG A 451 12.998 2.005 5.545 1.00 15.00 C ATOM 361 NH1 ARG A 451 12.685 2.700 4.458 1.00 15.00 N ATOM 362 NH2 ARG A 451 14.014 1.156 5.503 1.00 15.00 N ATOM 0 H ARG A 451 8.237 0.607 4.283 1.00 15.00 H new ATOM 0 HA ARG A 451 10.777 0.620 5.644 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.086 2.541 5.386 1.00 15.00 H new ATOM 0 HB3 ARG A 451 8.102 1.715 6.578 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.308 3.330 7.802 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.119 1.815 8.145 1.00 15.00 H new ATOM 0 HD2 ARG A 451 11.045 3.644 5.909 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.579 3.875 7.562 1.00 15.00 H new ATOM 0 HE ARG A 451 12.441 1.458 7.416 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.879 3.326 4.467 1.00 15.00 H new ATOM 0 HH12 ARG A 451 13.250 2.608 3.614 1.00 15.00 H new ATOM 0 HH21 ARG A 451 14.237 0.587 6.320 1.00 15.00 H new ATOM 0 HH22 ARG A 451 14.573 1.071 4.654 1.00 15.00 H new ATOM 376 N THR A 452 8.289 -1.190 6.750 1.00 15.00 N ATOM 377 CA THR A 452 7.879 -2.173 7.744 1.00 15.00 C ATOM 378 C THR A 452 7.679 -3.553 7.123 1.00 15.00 C ATOM 379 O THR A 452 7.375 -4.520 7.828 1.00 15.00 O ATOM 380 CB THR A 452 6.575 -1.731 8.434 1.00 15.00 C ATOM 381 OG1 THR A 452 5.615 -1.344 7.444 1.00 15.00 O ATOM 382 CG2 THR A 452 6.829 -0.571 9.383 1.00 15.00 C ATOM 0 H THR A 452 7.622 -1.056 5.990 1.00 15.00 H new ATOM 0 HA THR A 452 8.679 -2.239 8.481 1.00 15.00 H new ATOM 0 HB THR A 452 6.189 -2.570 9.013 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.960 -0.581 6.934 1.00 15.00 H new ATOM 0 HG21 THR A 452 5.893 -0.278 9.858 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.543 -0.876 10.148 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.233 0.274 8.825 1.00 15.00 H new ATOM 390 N LEU A 453 7.846 -3.627 5.799 1.00 15.00 N ATOM 391 CA LEU A 453 7.655 -4.871 5.046 1.00 15.00 C ATOM 392 C LEU A 453 6.196 -5.320 5.126 1.00 15.00 C ATOM 393 O LEU A 453 5.876 -6.483 4.891 1.00 15.00 O ATOM 394 CB LEU A 453 8.585 -5.970 5.579 1.00 15.00 C ATOM 395 CG LEU A 453 10.080 -5.646 5.510 1.00 15.00 C ATOM 396 CD1 LEU A 453 10.900 -6.783 6.100 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.505 -5.373 4.076 1.00 15.00 C ATOM 0 H LEU A 453 8.116 -2.831 5.221 1.00 15.00 H new ATOM 0 HA LEU A 453 7.905 -4.686 4.001 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.321 -6.176 6.616 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.401 -6.885 5.016 1.00 15.00 H new ATOM 0 HG LEU A 453 10.262 -4.747 6.099 1.00 15.00 H new ATOM 0 HD11 LEU A 453 11.960 -6.535 6.042 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.618 -6.932 7.142 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.710 -7.698 5.539 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.571 -5.145 4.049 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.307 -6.253 3.464 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.943 -4.525 3.685 1.00 15.00 H new ATOM 409 N GLU A 454 5.314 -4.368 5.403 1.00 15.00 N ATOM 410 CA GLU A 454 3.904 -4.659 5.634 1.00 15.00 C ATOM 411 C GLU A 454 3.099 -4.614 4.347 1.00 15.00 C ATOM 412 O GLU A 454 3.233 -3.686 3.548 1.00 15.00 O ATOM 413 CB GLU A 454 3.323 -3.672 6.643 1.00 15.00 C ATOM 414 CG GLU A 454 3.707 -3.982 8.076 1.00 15.00 C ATOM 415 CD GLU A 454 3.108 -5.284 8.558 1.00 15.00 C ATOM 416 OE1 GLU A 454 3.682 -6.355 8.268 1.00 15.00 O ATOM 417 OE2 GLU A 454 2.059 -5.244 9.230 1.00 15.00 O ATOM 0 H GLU A 454 5.553 -3.379 5.474 1.00 15.00 H new ATOM 0 HA GLU A 454 3.839 -5.671 6.033 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.661 -2.666 6.393 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.236 -3.673 6.557 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.793 -4.031 8.157 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.376 -3.170 8.723 1.00 15.00 H new ATOM 424 N SER A 455 2.252 -5.615 4.171 1.00 15.00 N ATOM 425 CA SER A 455 1.371 -5.688 3.021 1.00 15.00 C ATOM 426 C SER A 455 -0.086 -5.604 3.477 1.00 15.00 C ATOM 427 O SER A 455 -0.578 -6.489 4.179 1.00 15.00 O ATOM 428 CB SER A 455 1.625 -6.995 2.257 1.00 15.00 C ATOM 429 OG SER A 455 0.775 -7.120 1.131 1.00 15.00 O ATOM 0 H SER A 455 2.157 -6.396 4.820 1.00 15.00 H new ATOM 0 HA SER A 455 1.573 -4.850 2.354 1.00 15.00 H new ATOM 0 HB2 SER A 455 2.665 -7.030 1.933 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.470 -7.842 2.925 1.00 15.00 H new ATOM 0 HG SER A 455 0.966 -7.963 0.669 1.00 15.00 H new ATOM 435 N TYR A 456 -0.764 -4.526 3.107 1.00 15.00 N ATOM 436 CA TYR A 456 -2.160 -4.337 3.485 1.00 15.00 C ATOM 437 C TYR A 456 -3.034 -4.243 2.246 1.00 15.00 C ATOM 438 O TYR A 456 -2.697 -3.544 1.301 1.00 15.00 O ATOM 439 CB TYR A 456 -2.331 -3.067 4.326 1.00 15.00 C ATOM 440 CG TYR A 456 -1.562 -3.079 5.628 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.721 -4.109 6.546 1.00 15.00 C ATOM 442 CD2 TYR A 456 -0.684 -2.053 5.942 1.00 15.00 C ATOM 443 CE1 TYR A 456 -1.024 -4.114 7.739 1.00 15.00 C ATOM 444 CE2 TYR A 456 0.018 -2.051 7.131 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.156 -3.084 8.027 1.00 15.00 C ATOM 446 OH TYR A 456 0.541 -3.082 9.214 1.00 15.00 O ATOM 0 H TYR A 456 -0.372 -3.770 2.546 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.466 -5.198 4.080 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -2.012 -2.208 3.736 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.390 -2.928 4.543 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -2.400 -4.919 6.324 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -0.547 -1.241 5.244 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -1.159 -4.922 8.443 1.00 15.00 H new ATOM 0 HE2 TYR A 456 0.700 -1.245 7.358 1.00 15.00 H new ATOM 0 HH TYR A 456 0.926 -3.970 9.369 1.00 15.00 H new ATOM 456 N TRP A 457 -4.170 -4.919 2.264 1.00 15.00 N ATOM 457 CA TRP A 457 -5.092 -4.886 1.133 1.00 15.00 C ATOM 458 C TRP A 457 -5.932 -3.611 1.169 1.00 15.00 C ATOM 459 O TRP A 457 -6.781 -3.384 0.308 1.00 15.00 O ATOM 460 CB TRP A 457 -6.012 -6.108 1.148 1.00 15.00 C ATOM 461 CG TRP A 457 -5.282 -7.417 1.132 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.866 -8.136 2.215 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.869 -8.156 -0.023 1.00 15.00 C ATOM 464 NE1 TRP A 457 -4.234 -9.285 1.803 1.00 15.00 N ATOM 465 CE2 TRP A 457 -4.222 -9.319 0.434 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.991 -7.951 -1.401 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.695 -10.269 -0.437 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.467 -8.895 -2.262 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.827 -10.042 -1.779 1.00 15.00 C ATOM 0 H TRP A 457 -4.479 -5.497 3.046 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.503 -4.901 0.216 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.642 -6.065 2.036 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.675 -6.062 0.284 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -5.012 -7.845 3.245 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -3.838 -9.997 2.417 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.486 -7.071 -1.785 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -3.199 -11.154 -0.066 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.553 -8.745 -3.328 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.430 -10.762 -2.480 1.00 15.00 H new ATOM 480 N GLU A 458 -5.675 -2.784 2.170 1.00 15.00 N ATOM 481 CA GLU A 458 -6.414 -1.547 2.371 1.00 15.00 C ATOM 482 C GLU A 458 -5.450 -0.373 2.412 1.00 15.00 C ATOM 483 O GLU A 458 -4.348 -0.484 2.948 1.00 15.00 O ATOM 484 CB GLU A 458 -7.214 -1.627 3.670 1.00 15.00 C ATOM 485 CG GLU A 458 -8.225 -2.763 3.691 1.00 15.00 C ATOM 486 CD GLU A 458 -8.933 -2.890 5.020 1.00 15.00 C ATOM 487 OE1 GLU A 458 -9.696 -1.972 5.378 1.00 15.00 O ATOM 488 OE2 GLU A 458 -8.736 -3.916 5.710 1.00 15.00 O ATOM 0 H GLU A 458 -4.948 -2.951 2.866 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.107 -1.401 1.543 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -6.524 -1.750 4.505 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.737 -0.683 3.824 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -8.963 -2.602 2.905 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -7.717 -3.700 3.464 1.00 15.00 H new ATOM 495 N LYS A 459 -5.880 0.753 1.870 1.00 15.00 N ATOM 496 CA LYS A 459 -5.006 1.901 1.696 1.00 15.00 C ATOM 497 C LYS A 459 -5.008 2.804 2.925 1.00 15.00 C ATOM 498 O LYS A 459 -6.061 3.243 3.387 1.00 15.00 O ATOM 499 CB LYS A 459 -5.421 2.687 0.450 1.00 15.00 C ATOM 500 CG LYS A 459 -4.729 4.035 0.312 1.00 15.00 C ATOM 501 CD LYS A 459 -4.860 4.586 -1.095 1.00 15.00 C ATOM 502 CE LYS A 459 -3.952 3.844 -2.063 1.00 15.00 C ATOM 503 NZ LYS A 459 -4.056 4.364 -3.448 1.00 15.00 N ATOM 0 H LYS A 459 -6.835 0.897 1.541 1.00 15.00 H new ATOM 0 HA LYS A 459 -3.988 1.533 1.566 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -5.206 2.087 -0.434 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -6.499 2.844 0.474 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.160 4.741 1.022 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -3.674 3.931 0.566 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -5.895 4.502 -1.426 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -4.609 5.647 -1.098 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -2.919 3.926 -1.724 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -4.207 2.784 -2.056 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -3.183 4.143 -3.968 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -4.866 3.919 -3.926 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -4.192 5.395 -3.423 1.00 15.00 H new ATOM 517 N PRO A 460 -3.814 3.087 3.462 1.00 15.00 N ATOM 518 CA PRO A 460 -3.637 4.027 4.572 1.00 15.00 C ATOM 519 C PRO A 460 -3.947 5.465 4.151 1.00 15.00 C ATOM 520 O PRO A 460 -3.701 5.860 3.007 1.00 15.00 O ATOM 521 CB PRO A 460 -2.157 3.875 4.936 1.00 15.00 C ATOM 522 CG PRO A 460 -1.510 3.362 3.697 1.00 15.00 C ATOM 523 CD PRO A 460 -2.535 2.498 3.027 1.00 15.00 C ATOM 0 HA PRO A 460 -4.310 3.819 5.404 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.725 4.828 5.242 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.023 3.183 5.767 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.205 4.182 3.047 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.612 2.791 3.933 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.431 2.519 1.942 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.447 1.456 3.336 1.00 15.00 H new ATOM 531 N GLN A 461 -4.454 6.252 5.092 1.00 15.00 N ATOM 532 CA GLN A 461 -4.912 7.610 4.804 1.00 15.00 C ATOM 533 C GLN A 461 -3.738 8.581 4.616 1.00 15.00 C ATOM 534 O GLN A 461 -3.938 9.741 4.266 1.00 15.00 O ATOM 535 CB GLN A 461 -5.839 8.095 5.932 1.00 15.00 C ATOM 536 CG GLN A 461 -6.483 9.455 5.679 1.00 15.00 C ATOM 537 CD GLN A 461 -7.418 9.470 4.478 1.00 15.00 C ATOM 538 OE1 GLN A 461 -7.546 10.487 3.792 1.00 15.00 O ATOM 539 NE2 GLN A 461 -8.096 8.359 4.228 1.00 15.00 N ATOM 0 H GLN A 461 -4.560 5.973 6.067 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.465 7.588 3.865 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.626 7.356 6.081 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.268 8.144 6.859 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.040 9.755 6.567 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -5.699 10.197 5.528 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.964 7.537 4.818 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.750 8.326 3.446 1.00 15.00 H new ATOM 548 N GLU A 462 -2.513 8.119 4.832 1.00 15.00 N ATOM 549 CA GLU A 462 -1.356 8.989 4.654 1.00 15.00 C ATOM 550 C GLU A 462 -0.798 8.891 3.235 1.00 15.00 C ATOM 551 O GLU A 462 -0.081 9.784 2.780 1.00 15.00 O ATOM 552 CB GLU A 462 -0.278 8.716 5.714 1.00 15.00 C ATOM 553 CG GLU A 462 -0.092 7.251 6.087 1.00 15.00 C ATOM 554 CD GLU A 462 0.749 6.484 5.091 1.00 15.00 C ATOM 555 OE1 GLU A 462 0.176 5.956 4.122 1.00 15.00 O ATOM 556 OE2 GLU A 462 1.982 6.404 5.288 1.00 15.00 O ATOM 0 H GLU A 462 -2.296 7.166 5.125 1.00 15.00 H new ATOM 0 HA GLU A 462 -1.691 10.016 4.797 1.00 15.00 H new ATOM 0 HB2 GLU A 462 0.673 9.105 5.351 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -0.528 9.275 6.616 1.00 15.00 H new ATOM 0 HG2 GLU A 462 0.375 7.190 7.070 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.070 6.777 6.168 1.00 15.00 H new ATOM 563 N LEU A 463 -1.141 7.812 2.541 1.00 15.00 N ATOM 564 CA LEU A 463 -0.734 7.629 1.156 1.00 15.00 C ATOM 565 C LEU A 463 -1.688 8.363 0.222 1.00 15.00 C ATOM 566 O LEU A 463 -1.256 9.150 -0.622 1.00 15.00 O ATOM 567 CB LEU A 463 -0.699 6.140 0.799 1.00 15.00 C ATOM 568 CG LEU A 463 -0.331 5.824 -0.654 1.00 15.00 C ATOM 569 CD1 LEU A 463 1.100 6.251 -0.951 1.00 15.00 C ATOM 570 CD2 LEU A 463 -0.525 4.344 -0.943 1.00 15.00 C ATOM 0 H LEU A 463 -1.702 7.049 2.918 1.00 15.00 H new ATOM 0 HA LEU A 463 0.267 8.043 1.036 1.00 15.00 H new ATOM 0 HB2 LEU A 463 0.016 5.643 1.454 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.678 5.709 1.011 1.00 15.00 H new ATOM 0 HG LEU A 463 -0.995 6.389 -1.308 1.00 15.00 H new ATOM 0 HD11 LEU A 463 1.341 6.018 -1.988 1.00 15.00 H new ATOM 0 HD12 LEU A 463 1.201 7.324 -0.787 1.00 15.00 H new ATOM 0 HD13 LEU A 463 1.783 5.717 -0.290 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -0.259 4.138 -1.980 1.00 15.00 H new ATOM 0 HD22 LEU A 463 0.112 3.757 -0.281 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -1.568 4.074 -0.776 1.00 15.00 H new ATOM 582 N LYS A 464 -2.985 8.092 0.387 1.00 15.00 N ATOM 583 CA LYS A 464 -4.036 8.722 -0.415 1.00 15.00 C ATOM 584 C LYS A 464 -3.870 8.388 -1.897 1.00 15.00 C ATOM 585 O LYS A 464 -3.985 7.199 -2.260 1.00 15.00 O ATOM 586 CB LYS A 464 -4.019 10.241 -0.213 1.00 15.00 C ATOM 587 CG LYS A 464 -4.242 10.666 1.227 1.00 15.00 C ATOM 588 CD LYS A 464 -3.816 12.105 1.448 1.00 15.00 C ATOM 589 CE LYS A 464 -4.002 12.522 2.896 1.00 15.00 C ATOM 590 NZ LYS A 464 -3.304 13.797 3.196 1.00 15.00 N ATOM 591 OXT LYS A 464 -3.642 9.317 -2.698 1.00 15.00 O ATOM 0 H LYS A 464 -3.336 7.430 1.080 1.00 15.00 H new ATOM 0 HA LYS A 464 -4.997 8.329 -0.082 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -3.061 10.634 -0.555 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -4.790 10.691 -0.839 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -5.295 10.553 1.483 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -3.680 10.011 1.893 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -2.770 12.224 1.165 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -4.398 12.762 0.801 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -5.065 12.631 3.109 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -3.624 11.738 3.552 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -3.454 14.049 4.194 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -2.286 13.686 3.017 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -3.682 14.551 2.588 1.00 15.00 H new TER 605 LYS A 464