USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 283 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 447 TYR OH : rot 180:sc= 0.964 USER MOD Set 1.2: A 459 LYS NZ :NH3+ -119:sc= 1.16 (180deg=-0.256) USER MOD Set 2.1: A 449 ASN : amide:sc= -2.16! C(o=-1.6!,f=-9.5!) USER MOD Set 2.2: A 452 THR OG1 : rot -166:sc= 0.576 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 39:sc= 0.328 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= -5.89! (180deg=-6.1!) USER MOD Single : A 440 THR OG1 : rot 95:sc= 0.71 USER MOD Single : A 444 LYS NZ :NH3+ -157:sc= 1.26 (180deg=1.01) USER MOD Single : A 445 THR OG1 : rot 174:sc= 1.09 USER MOD Single : A 446 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 K(o=0,f=-0.76) USER MOD Single : A 455 SER OG : rot 180:sc= -0.0666 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0 USER MOD Single : A 461 GLN :FLIP amide:sc= -0.0352 F(o=-1.4!,f=-0.035) USER MOD Single : A 464 LYS NZ :NH3+ -145:sc= -1.4! (180deg=-4.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -23.986 0.300 9.323 1.00 15.00 N ATOM 2 CA GLY A 428 -22.658 0.788 9.747 1.00 15.00 C ATOM 3 C GLY A 428 -21.540 -0.048 9.171 1.00 15.00 C ATOM 4 O GLY A 428 -21.275 -1.155 9.640 1.00 15.00 O ATOM 0 HA2 GLY A 428 -22.535 1.824 9.433 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -22.597 0.775 10.835 1.00 15.00 H new ATOM 10 N ALA A 429 -20.902 0.475 8.135 1.00 15.00 N ATOM 11 CA ALA A 429 -19.783 -0.196 7.493 1.00 15.00 C ATOM 12 C ALA A 429 -18.986 0.799 6.665 1.00 15.00 C ATOM 13 O ALA A 429 -19.122 0.863 5.441 1.00 15.00 O ATOM 14 CB ALA A 429 -20.262 -1.356 6.622 1.00 15.00 C ATOM 0 H ALA A 429 -21.145 1.373 7.717 1.00 15.00 H new ATOM 0 HA ALA A 429 -19.138 -0.607 8.270 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -19.404 -1.839 6.155 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -20.793 -2.080 7.240 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -20.931 -0.978 5.849 1.00 15.00 H new ATOM 20 N THR A 430 -18.181 1.596 7.342 1.00 15.00 N ATOM 21 CA THR A 430 -17.374 2.604 6.680 1.00 15.00 C ATOM 22 C THR A 430 -15.929 2.144 6.566 1.00 15.00 C ATOM 23 O THR A 430 -15.218 2.037 7.566 1.00 15.00 O ATOM 24 CB THR A 430 -17.429 3.944 7.432 1.00 15.00 C ATOM 25 OG1 THR A 430 -18.791 4.383 7.548 1.00 15.00 O ATOM 26 CG2 THR A 430 -16.609 5.008 6.712 1.00 15.00 C ATOM 0 H THR A 430 -18.068 1.564 8.355 1.00 15.00 H new ATOM 0 HA THR A 430 -17.785 2.748 5.681 1.00 15.00 H new ATOM 0 HB THR A 430 -17.006 3.795 8.425 1.00 15.00 H new ATOM 0 HG1 THR A 430 -18.820 5.236 8.029 1.00 15.00 H new ATOM 0 HG21 THR A 430 -16.665 5.946 7.264 1.00 15.00 H new ATOM 0 HG22 THR A 430 -15.570 4.685 6.649 1.00 15.00 H new ATOM 0 HG23 THR A 430 -17.005 5.155 5.707 1.00 15.00 H new ATOM 34 N ALA A 431 -15.509 1.871 5.344 1.00 15.00 N ATOM 35 CA ALA A 431 -14.159 1.415 5.078 1.00 15.00 C ATOM 36 C ALA A 431 -13.834 1.572 3.602 1.00 15.00 C ATOM 37 O ALA A 431 -13.962 0.624 2.825 1.00 15.00 O ATOM 38 CB ALA A 431 -13.976 -0.035 5.515 1.00 15.00 C ATOM 0 H ALA A 431 -16.092 1.959 4.512 1.00 15.00 H new ATOM 0 HA ALA A 431 -13.469 2.030 5.657 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -12.955 -0.352 5.304 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -14.169 -0.120 6.584 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -14.673 -0.670 4.969 1.00 15.00 H new ATOM 44 N VAL A 432 -13.459 2.781 3.209 1.00 15.00 N ATOM 45 CA VAL A 432 -13.071 3.045 1.834 1.00 15.00 C ATOM 46 C VAL A 432 -11.549 3.197 1.735 1.00 15.00 C ATOM 47 O VAL A 432 -10.994 4.297 1.722 1.00 15.00 O ATOM 48 CB VAL A 432 -13.814 4.277 1.253 1.00 15.00 C ATOM 49 CG1 VAL A 432 -13.607 5.517 2.116 1.00 15.00 C ATOM 50 CG2 VAL A 432 -13.390 4.529 -0.188 1.00 15.00 C ATOM 0 H VAL A 432 -13.416 3.594 3.824 1.00 15.00 H new ATOM 0 HA VAL A 432 -13.368 2.191 1.225 1.00 15.00 H new ATOM 0 HB VAL A 432 -14.881 4.056 1.260 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -14.142 6.359 1.677 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -13.987 5.329 3.120 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -12.544 5.751 2.168 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -13.922 5.397 -0.577 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -12.317 4.715 -0.224 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -13.627 3.655 -0.795 1.00 15.00 H new ATOM 60 N SER A 433 -10.888 2.058 1.710 1.00 15.00 N ATOM 61 CA SER A 433 -9.441 1.990 1.636 1.00 15.00 C ATOM 62 C SER A 433 -9.041 0.578 1.246 1.00 15.00 C ATOM 63 O SER A 433 -9.205 -0.363 2.028 1.00 15.00 O ATOM 64 CB SER A 433 -8.808 2.390 2.974 1.00 15.00 C ATOM 65 OG SER A 433 -9.372 1.654 4.053 1.00 15.00 O ATOM 0 H SER A 433 -11.343 1.145 1.741 1.00 15.00 H new ATOM 0 HA SER A 433 -9.079 2.691 0.884 1.00 15.00 H new ATOM 0 HB2 SER A 433 -7.732 2.217 2.936 1.00 15.00 H new ATOM 0 HB3 SER A 433 -8.954 3.457 3.143 1.00 15.00 H new ATOM 0 HG SER A 433 -9.521 0.727 3.774 1.00 15.00 H new ATOM 71 N GLU A 434 -8.559 0.425 0.029 1.00 15.00 N ATOM 72 CA GLU A 434 -8.308 -0.887 -0.526 1.00 15.00 C ATOM 73 C GLU A 434 -6.890 -1.332 -0.226 1.00 15.00 C ATOM 74 O GLU A 434 -6.558 -2.517 -0.324 1.00 15.00 O ATOM 75 CB GLU A 434 -8.546 -0.849 -2.027 1.00 15.00 C ATOM 76 CG GLU A 434 -8.589 -2.206 -2.685 1.00 15.00 C ATOM 77 CD GLU A 434 -9.235 -2.134 -4.041 1.00 15.00 C ATOM 78 OE1 GLU A 434 -10.481 -2.167 -4.106 1.00 15.00 O ATOM 79 OE2 GLU A 434 -8.509 -2.039 -5.047 1.00 15.00 O ATOM 0 H GLU A 434 -8.333 1.198 -0.596 1.00 15.00 H new ATOM 0 HA GLU A 434 -8.989 -1.605 -0.069 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -9.487 -0.335 -2.221 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -7.758 -0.257 -2.493 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -7.577 -2.598 -2.782 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -9.141 -2.902 -2.053 1.00 15.00 H new ATOM 86 N TRP A 435 -6.050 -0.375 0.123 1.00 15.00 N ATOM 87 CA TRP A 435 -4.668 -0.676 0.417 1.00 15.00 C ATOM 88 C TRP A 435 -4.302 -0.295 1.824 1.00 15.00 C ATOM 89 O TRP A 435 -4.837 0.649 2.407 1.00 15.00 O ATOM 90 CB TRP A 435 -3.698 0.019 -0.512 1.00 15.00 C ATOM 91 CG TRP A 435 -3.936 -0.249 -1.968 1.00 15.00 C ATOM 92 CD1 TRP A 435 -4.981 0.205 -2.717 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.109 -1.013 -2.856 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.863 -0.235 -4.011 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.721 -0.983 -4.125 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.913 -1.721 -2.705 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -3.178 -1.632 -5.231 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -1.376 -2.364 -3.804 1.00 15.00 C ATOM 99 CH2 TRP A 435 -2.007 -2.315 -5.053 1.00 15.00 C ATOM 0 H TRP A 435 -6.302 0.610 0.208 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.584 -1.754 0.279 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.754 1.094 -0.339 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.685 -0.292 -0.259 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.786 0.822 -2.345 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.519 -0.037 -4.766 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.418 -1.765 -1.746 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -3.664 -1.597 -6.195 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -0.453 -2.914 -3.698 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -1.560 -2.827 -5.892 1.00 15.00 H new ATOM 110 N THR A 436 -3.365 -1.040 2.340 1.00 15.00 N ATOM 111 CA THR A 436 -2.843 -0.842 3.661 1.00 15.00 C ATOM 112 C THR A 436 -1.316 -0.838 3.599 1.00 15.00 C ATOM 113 O THR A 436 -0.734 -1.505 2.742 1.00 15.00 O ATOM 114 CB THR A 436 -3.337 -1.992 4.526 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.773 -2.004 4.539 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.807 -1.908 5.950 1.00 15.00 C ATOM 0 H THR A 436 -2.934 -1.819 1.842 1.00 15.00 H new ATOM 0 HA THR A 436 -3.174 0.108 4.080 1.00 15.00 H new ATOM 0 HB THR A 436 -2.960 -2.918 4.092 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.089 -2.746 5.095 1.00 15.00 H new ATOM 0 HG21 THR A 436 -3.186 -2.750 6.530 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.718 -1.939 5.935 1.00 15.00 H new ATOM 0 HG23 THR A 436 -3.137 -0.975 6.407 1.00 15.00 H new ATOM 124 N GLU A 437 -0.661 -0.084 4.471 1.00 15.00 N ATOM 125 CA GLU A 437 0.791 -0.009 4.434 1.00 15.00 C ATOM 126 C GLU A 437 1.395 -0.365 5.793 1.00 15.00 C ATOM 127 O GLU A 437 0.867 0.000 6.846 1.00 15.00 O ATOM 128 CB GLU A 437 1.236 1.385 3.962 1.00 15.00 C ATOM 129 CG GLU A 437 1.792 2.280 5.053 1.00 15.00 C ATOM 130 CD GLU A 437 2.011 3.708 4.589 1.00 15.00 C ATOM 131 OE1 GLU A 437 1.021 4.462 4.474 1.00 15.00 O ATOM 132 OE2 GLU A 437 3.179 4.087 4.343 1.00 15.00 O ATOM 0 H GLU A 437 -1.103 0.475 5.200 1.00 15.00 H new ATOM 0 HA GLU A 437 1.161 -0.743 3.718 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.994 1.266 3.188 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.385 1.885 3.500 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.107 2.280 5.901 1.00 15.00 H new ATOM 0 HG3 GLU A 437 2.737 1.869 5.407 1.00 15.00 H new ATOM 139 N TYR A 438 2.501 -1.087 5.745 1.00 15.00 N ATOM 140 CA TYR A 438 3.224 -1.509 6.943 1.00 15.00 C ATOM 141 C TYR A 438 4.716 -1.314 6.716 1.00 15.00 C ATOM 142 O TYR A 438 5.215 -1.630 5.638 1.00 15.00 O ATOM 143 CB TYR A 438 2.955 -2.988 7.255 1.00 15.00 C ATOM 144 CG TYR A 438 1.515 -3.315 7.587 1.00 15.00 C ATOM 145 CD1 TYR A 438 0.955 -2.930 8.799 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.718 -4.024 6.694 1.00 15.00 C ATOM 147 CE1 TYR A 438 -0.356 -3.238 9.110 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.593 -4.333 6.997 1.00 15.00 C ATOM 149 CZ TYR A 438 -1.125 -3.940 8.208 1.00 15.00 C ATOM 150 OH TYR A 438 -2.430 -4.247 8.515 1.00 15.00 O ATOM 0 H TYR A 438 2.928 -1.401 4.874 1.00 15.00 H new ATOM 0 HA TYR A 438 2.882 -0.908 7.785 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.260 -3.587 6.397 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.584 -3.288 8.093 1.00 15.00 H new ATOM 0 HD1 TYR A 438 1.554 -2.381 9.510 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.132 -4.338 5.747 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.776 -2.930 10.056 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -1.199 -4.880 6.290 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.833 -4.743 7.772 1.00 15.00 H new ATOM 160 N LYS A 439 5.434 -0.824 7.723 1.00 15.00 N ATOM 161 CA LYS A 439 6.862 -0.578 7.557 1.00 15.00 C ATOM 162 C LYS A 439 7.644 -1.827 7.946 1.00 15.00 C ATOM 163 O LYS A 439 7.612 -2.281 9.091 1.00 15.00 O ATOM 164 CB LYS A 439 7.326 0.636 8.381 1.00 15.00 C ATOM 165 CG LYS A 439 8.742 1.121 8.048 1.00 15.00 C ATOM 166 CD LYS A 439 8.813 2.060 6.827 1.00 15.00 C ATOM 167 CE LYS A 439 8.465 3.514 7.156 1.00 15.00 C ATOM 168 NZ LYS A 439 7.078 3.699 7.658 1.00 15.00 N ATOM 0 H LYS A 439 5.060 -0.594 8.644 1.00 15.00 H new ATOM 0 HA LYS A 439 7.053 -0.347 6.509 1.00 15.00 H new ATOM 0 HB2 LYS A 439 6.627 1.457 8.222 1.00 15.00 H new ATOM 0 HB3 LYS A 439 7.282 0.380 9.440 1.00 15.00 H new ATOM 0 HG2 LYS A 439 9.151 1.639 8.916 1.00 15.00 H new ATOM 0 HG3 LYS A 439 9.378 0.255 7.865 1.00 15.00 H new ATOM 0 HD2 LYS A 439 9.818 2.021 6.406 1.00 15.00 H new ATOM 0 HD3 LYS A 439 8.131 1.696 6.058 1.00 15.00 H new ATOM 0 HE2 LYS A 439 9.165 3.885 7.904 1.00 15.00 H new ATOM 0 HE3 LYS A 439 8.602 4.122 6.262 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 6.970 4.663 8.033 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 6.405 3.554 6.879 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 6.887 3.010 8.413 1.00 15.00 H new ATOM 182 N THR A 440 8.321 -2.371 6.959 1.00 15.00 N ATOM 183 CA THR A 440 9.094 -3.585 7.084 1.00 15.00 C ATOM 184 C THR A 440 10.520 -3.262 7.498 1.00 15.00 C ATOM 185 O THR A 440 11.003 -2.158 7.250 1.00 15.00 O ATOM 186 CB THR A 440 9.090 -4.370 5.758 1.00 15.00 C ATOM 187 OG1 THR A 440 9.067 -3.464 4.653 1.00 15.00 O ATOM 188 CG2 THR A 440 7.882 -5.285 5.672 1.00 15.00 C ATOM 0 H THR A 440 8.349 -1.969 6.022 1.00 15.00 H new ATOM 0 HA THR A 440 8.636 -4.206 7.854 1.00 15.00 H new ATOM 0 HB THR A 440 9.996 -4.975 5.724 1.00 15.00 H new ATOM 0 HG1 THR A 440 9.982 -3.309 4.338 1.00 15.00 H new ATOM 0 HG21 THR A 440 7.903 -5.827 4.727 1.00 15.00 H new ATOM 0 HG22 THR A 440 7.904 -5.995 6.499 1.00 15.00 H new ATOM 0 HG23 THR A 440 6.970 -4.690 5.729 1.00 15.00 H new ATOM 196 N ALA A 441 11.152 -4.192 8.209 1.00 15.00 N ATOM 197 CA ALA A 441 12.522 -4.023 8.707 1.00 15.00 C ATOM 198 C ALA A 441 13.540 -3.664 7.609 1.00 15.00 C ATOM 199 O ALA A 441 14.718 -3.470 7.899 1.00 15.00 O ATOM 200 CB ALA A 441 12.961 -5.283 9.433 1.00 15.00 C ATOM 0 H ALA A 441 10.731 -5.087 8.459 1.00 15.00 H new ATOM 0 HA ALA A 441 12.502 -3.175 9.392 1.00 15.00 H new ATOM 0 HB1 ALA A 441 13.979 -5.155 9.802 1.00 15.00 H new ATOM 0 HB2 ALA A 441 12.292 -5.471 10.273 1.00 15.00 H new ATOM 0 HB3 ALA A 441 12.928 -6.129 8.746 1.00 15.00 H new ATOM 206 N ASP A 442 13.093 -3.577 6.356 1.00 15.00 N ATOM 207 CA ASP A 442 13.935 -3.063 5.275 1.00 15.00 C ATOM 208 C ASP A 442 14.001 -1.542 5.371 1.00 15.00 C ATOM 209 O ASP A 442 14.726 -0.878 4.625 1.00 15.00 O ATOM 210 CB ASP A 442 13.381 -3.460 3.903 1.00 15.00 C ATOM 211 CG ASP A 442 12.298 -2.511 3.421 1.00 15.00 C ATOM 212 OD1 ASP A 442 11.303 -2.327 4.146 1.00 15.00 O ATOM 213 OD2 ASP A 442 12.459 -1.930 2.326 1.00 15.00 O ATOM 0 H ASP A 442 12.156 -3.855 6.065 1.00 15.00 H new ATOM 0 HA ASP A 442 14.931 -3.494 5.380 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.194 -3.478 3.177 1.00 15.00 H new ATOM 0 HB3 ASP A 442 12.978 -4.471 3.956 1.00 15.00 H new ATOM 218 N GLY A 443 13.222 -1.009 6.298 1.00 15.00 N ATOM 219 CA GLY A 443 13.202 0.406 6.561 1.00 15.00 C ATOM 220 C GLY A 443 12.180 1.168 5.739 1.00 15.00 C ATOM 221 O GLY A 443 12.309 2.383 5.585 1.00 15.00 O ATOM 0 H GLY A 443 12.589 -1.552 6.885 1.00 15.00 H new ATOM 0 HA2 GLY A 443 12.996 0.566 7.619 1.00 15.00 H new ATOM 0 HA3 GLY A 443 14.192 0.817 6.364 1.00 15.00 H new ATOM 225 N LYS A 444 11.166 0.485 5.191 1.00 15.00 N ATOM 226 CA LYS A 444 10.064 1.205 4.541 1.00 15.00 C ATOM 227 C LYS A 444 8.749 0.423 4.558 1.00 15.00 C ATOM 228 O LYS A 444 8.683 -0.714 4.993 1.00 15.00 O ATOM 229 CB LYS A 444 10.258 1.430 3.124 1.00 15.00 C ATOM 230 CG LYS A 444 11.693 1.567 2.631 1.00 15.00 C ATOM 231 CD LYS A 444 11.748 1.958 1.162 1.00 15.00 C ATOM 232 CE LYS A 444 11.227 0.856 0.257 1.00 15.00 C ATOM 233 NZ LYS A 444 12.119 -0.334 0.256 1.00 15.00 N ATOM 0 H LYS A 444 11.085 -0.532 5.183 1.00 15.00 H new ATOM 0 HA LYS A 444 10.036 2.131 5.115 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.793 0.605 2.584 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.718 2.336 2.849 1.00 15.00 H new ATOM 0 HG2 LYS A 444 12.213 2.317 3.227 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.219 0.624 2.777 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.160 2.863 1.006 1.00 15.00 H new ATOM 0 HD3 LYS A 444 12.776 2.195 0.889 1.00 15.00 H new ATOM 0 HE2 LYS A 444 10.230 0.561 0.583 1.00 15.00 H new ATOM 0 HE3 LYS A 444 11.130 1.237 -0.760 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 11.971 -0.878 -0.618 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.111 -0.025 0.307 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 11.900 -0.933 1.078 1.00 15.00 H new ATOM 247 N THR A 445 7.705 1.085 4.053 1.00 15.00 N ATOM 248 CA THR A 445 6.368 0.520 3.999 1.00 15.00 C ATOM 249 C THR A 445 6.036 -0.034 2.628 1.00 15.00 C ATOM 250 O THR A 445 6.378 0.555 1.605 1.00 15.00 O ATOM 251 CB THR A 445 5.291 1.561 4.357 1.00 15.00 C ATOM 252 OG1 THR A 445 5.540 2.798 3.675 1.00 15.00 O ATOM 253 CG2 THR A 445 5.235 1.814 5.848 1.00 15.00 C ATOM 0 H THR A 445 7.770 2.029 3.671 1.00 15.00 H new ATOM 0 HA THR A 445 6.366 -0.287 4.732 1.00 15.00 H new ATOM 0 HB THR A 445 4.331 1.155 4.039 1.00 15.00 H new ATOM 0 HG1 THR A 445 4.793 3.413 3.831 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.464 2.554 6.063 1.00 15.00 H new ATOM 0 HG22 THR A 445 5.000 0.884 6.366 1.00 15.00 H new ATOM 0 HG23 THR A 445 6.200 2.186 6.190 1.00 15.00 H new ATOM 261 N TYR A 446 5.351 -1.160 2.627 1.00 15.00 N ATOM 262 CA TYR A 446 4.874 -1.766 1.399 1.00 15.00 C ATOM 263 C TYR A 446 3.357 -1.657 1.360 1.00 15.00 C ATOM 264 O TYR A 446 2.700 -1.719 2.403 1.00 15.00 O ATOM 265 CB TYR A 446 5.318 -3.233 1.298 1.00 15.00 C ATOM 266 CG TYR A 446 4.647 -4.167 2.285 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.128 -4.301 3.580 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.536 -4.920 1.917 1.00 15.00 C ATOM 269 CE1 TYR A 446 4.527 -5.161 4.480 1.00 15.00 C ATOM 270 CE2 TYR A 446 2.929 -5.779 2.812 1.00 15.00 C ATOM 271 CZ TYR A 446 3.426 -5.895 4.094 1.00 15.00 C ATOM 272 OH TYR A 446 2.824 -6.753 4.989 1.00 15.00 O ATOM 0 H TYR A 446 5.110 -1.679 3.472 1.00 15.00 H new ATOM 0 HA TYR A 446 5.302 -1.240 0.546 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.119 -3.590 0.288 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.397 -3.283 1.447 1.00 15.00 H new ATOM 0 HD1 TYR A 446 5.986 -3.724 3.890 1.00 15.00 H new ATOM 0 HD2 TYR A 446 3.142 -4.831 0.915 1.00 15.00 H new ATOM 0 HE1 TYR A 446 4.919 -5.257 5.482 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.069 -6.358 2.510 1.00 15.00 H new ATOM 0 HH TYR A 446 2.061 -7.193 4.558 1.00 15.00 H new ATOM 282 N TYR A 447 2.805 -1.499 0.170 1.00 15.00 N ATOM 283 CA TYR A 447 1.374 -1.299 0.023 1.00 15.00 C ATOM 284 C TYR A 447 0.683 -2.591 -0.392 1.00 15.00 C ATOM 285 O TYR A 447 1.029 -3.205 -1.403 1.00 15.00 O ATOM 286 CB TYR A 447 1.103 -0.179 -0.979 1.00 15.00 C ATOM 287 CG TYR A 447 1.741 1.126 -0.566 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.324 1.784 0.583 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.772 1.690 -1.307 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.911 2.966 0.984 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.364 2.875 -0.915 1.00 15.00 C ATOM 292 CZ TYR A 447 2.930 3.509 0.232 1.00 15.00 C ATOM 293 OH TYR A 447 3.518 4.691 0.629 1.00 15.00 O ATOM 0 H TYR A 447 3.325 -1.505 -0.708 1.00 15.00 H new ATOM 0 HA TYR A 447 0.961 -1.004 0.988 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.481 -0.472 -1.959 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.027 -0.038 -1.081 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.525 1.362 1.174 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.116 1.195 -2.203 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.574 3.463 1.882 1.00 15.00 H new ATOM 0 HE2 TYR A 447 4.162 3.303 -1.503 1.00 15.00 H new ATOM 0 HH TYR A 447 4.220 4.938 -0.009 1.00 15.00 H new ATOM 303 N TYR A 448 -0.293 -2.984 0.408 1.00 15.00 N ATOM 304 CA TYR A 448 -0.995 -4.246 0.245 1.00 15.00 C ATOM 305 C TYR A 448 -2.456 -4.011 -0.136 1.00 15.00 C ATOM 306 O TYR A 448 -3.175 -3.287 0.555 1.00 15.00 O ATOM 307 CB TYR A 448 -0.893 -5.024 1.561 1.00 15.00 C ATOM 308 CG TYR A 448 -1.667 -6.322 1.608 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.125 -7.500 1.112 1.00 15.00 C ATOM 310 CD2 TYR A 448 -2.930 -6.372 2.183 1.00 15.00 C ATOM 311 CE1 TYR A 448 -1.821 -8.690 1.186 1.00 15.00 C ATOM 312 CE2 TYR A 448 -3.634 -7.556 2.254 1.00 15.00 C ATOM 313 CZ TYR A 448 -3.074 -8.710 1.757 1.00 15.00 C ATOM 314 OH TYR A 448 -3.766 -9.895 1.841 1.00 15.00 O ATOM 0 H TYR A 448 -0.624 -2.430 1.198 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.541 -4.821 -0.562 1.00 15.00 H new ATOM 0 HB2 TYR A 448 0.158 -5.240 1.755 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.242 -4.383 2.371 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -0.144 -7.485 0.661 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -3.368 -5.469 2.581 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -1.386 -9.599 0.799 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -4.619 -7.577 2.697 1.00 15.00 H new ATOM 0 HH TYR A 448 -4.633 -9.738 2.271 1.00 15.00 H new ATOM 324 N ASN A 449 -2.881 -4.617 -1.241 1.00 15.00 N ATOM 325 CA ASN A 449 -4.270 -4.528 -1.693 1.00 15.00 C ATOM 326 C ASN A 449 -5.060 -5.702 -1.142 1.00 15.00 C ATOM 327 O ASN A 449 -4.651 -6.856 -1.300 1.00 15.00 O ATOM 328 CB ASN A 449 -4.345 -4.530 -3.223 1.00 15.00 C ATOM 329 CG ASN A 449 -5.755 -4.340 -3.751 1.00 15.00 C ATOM 330 OD1 ASN A 449 -6.511 -5.301 -3.893 1.00 15.00 O ATOM 331 ND2 ASN A 449 -6.121 -3.103 -4.047 1.00 15.00 N ATOM 0 H ASN A 449 -2.281 -5.179 -1.845 1.00 15.00 H new ATOM 0 HA ASN A 449 -4.695 -3.593 -1.327 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.708 -3.736 -3.613 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.947 -5.472 -3.599 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -7.058 -2.921 -4.406 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.466 -2.332 -3.916 1.00 15.00 H new ATOM 338 N ASN A 450 -6.198 -5.411 -0.526 1.00 15.00 N ATOM 339 CA ASN A 450 -6.972 -6.425 0.187 1.00 15.00 C ATOM 340 C ASN A 450 -7.772 -7.328 -0.747 1.00 15.00 C ATOM 341 O ASN A 450 -8.126 -8.444 -0.371 1.00 15.00 O ATOM 342 CB ASN A 450 -7.918 -5.767 1.191 1.00 15.00 C ATOM 343 CG ASN A 450 -7.176 -5.040 2.287 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.094 -5.448 2.703 1.00 15.00 O ATOM 345 ND2 ASN A 450 -7.747 -3.946 2.755 1.00 15.00 N ATOM 0 H ASN A 450 -6.609 -4.478 -0.504 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.249 -7.052 0.709 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.568 -5.065 0.668 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.561 -6.528 1.634 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.289 -3.406 3.489 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -8.646 -3.641 2.383 1.00 15.00 H new ATOM 352 N ARG A 451 -8.090 -6.849 -1.945 1.00 15.00 N ATOM 353 CA ARG A 451 -8.872 -7.654 -2.885 1.00 15.00 C ATOM 354 C ARG A 451 -8.016 -8.726 -3.543 1.00 15.00 C ATOM 355 O ARG A 451 -8.430 -9.878 -3.666 1.00 15.00 O ATOM 356 CB ARG A 451 -9.520 -6.799 -3.975 1.00 15.00 C ATOM 357 CG ARG A 451 -10.810 -6.117 -3.556 1.00 15.00 C ATOM 358 CD ARG A 451 -11.508 -5.491 -4.755 1.00 15.00 C ATOM 359 NE ARG A 451 -10.688 -4.459 -5.384 1.00 15.00 N ATOM 360 CZ ARG A 451 -10.117 -4.575 -6.584 1.00 15.00 C ATOM 361 NH1 ARG A 451 -10.343 -5.642 -7.339 1.00 15.00 N ATOM 362 NH2 ARG A 451 -9.319 -3.614 -7.026 1.00 15.00 N ATOM 0 H ARG A 451 -7.826 -5.925 -2.287 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.659 -8.127 -2.297 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -8.808 -6.038 -4.293 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -9.722 -7.429 -4.841 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -11.472 -6.842 -3.082 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -10.595 -5.349 -2.813 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -11.740 -6.266 -5.486 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -12.457 -5.058 -4.438 1.00 15.00 H new ATOM 0 HE ARG A 451 -10.542 -3.590 -4.870 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -10.958 -6.383 -7.003 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -9.902 -5.721 -8.255 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -9.144 -2.791 -6.449 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -8.880 -3.697 -7.943 1.00 15.00 H new ATOM 376 N THR A 452 -6.839 -8.334 -3.995 1.00 15.00 N ATOM 377 CA THR A 452 -5.954 -9.243 -4.706 1.00 15.00 C ATOM 378 C THR A 452 -4.933 -9.885 -3.774 1.00 15.00 C ATOM 379 O THR A 452 -4.277 -10.865 -4.140 1.00 15.00 O ATOM 380 CB THR A 452 -5.219 -8.488 -5.820 1.00 15.00 C ATOM 381 OG1 THR A 452 -4.794 -7.217 -5.318 1.00 15.00 O ATOM 382 CG2 THR A 452 -6.115 -8.289 -7.032 1.00 15.00 C ATOM 0 H THR A 452 -6.471 -7.389 -3.883 1.00 15.00 H new ATOM 0 HA THR A 452 -6.569 -10.036 -5.132 1.00 15.00 H new ATOM 0 HB THR A 452 -4.357 -9.077 -6.133 1.00 15.00 H new ATOM 0 HG1 THR A 452 -4.529 -6.642 -6.066 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.567 -7.751 -7.805 1.00 15.00 H new ATOM 0 HG22 THR A 452 -6.427 -9.260 -7.417 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.995 -7.713 -6.744 1.00 15.00 H new ATOM 390 N GLU A 453 -4.809 -9.324 -2.571 1.00 15.00 N ATOM 391 CA GLU A 453 -3.824 -9.775 -1.591 1.00 15.00 C ATOM 392 C GLU A 453 -2.413 -9.556 -2.132 1.00 15.00 C ATOM 393 O GLU A 453 -1.491 -10.328 -1.852 1.00 15.00 O ATOM 394 CB GLU A 453 -4.051 -11.251 -1.236 1.00 15.00 C ATOM 395 CG GLU A 453 -5.416 -11.523 -0.622 1.00 15.00 C ATOM 396 CD GLU A 453 -5.615 -12.976 -0.245 1.00 15.00 C ATOM 397 OE1 GLU A 453 -5.207 -13.368 0.867 1.00 15.00 O ATOM 398 OE2 GLU A 453 -6.189 -13.733 -1.055 1.00 15.00 O ATOM 0 H GLU A 453 -5.387 -8.547 -2.250 1.00 15.00 H new ATOM 0 HA GLU A 453 -3.941 -9.190 -0.679 1.00 15.00 H new ATOM 0 HB2 GLU A 453 -3.939 -11.855 -2.137 1.00 15.00 H new ATOM 0 HB3 GLU A 453 -3.277 -11.572 -0.539 1.00 15.00 H new ATOM 0 HG2 GLU A 453 -5.539 -10.903 0.266 1.00 15.00 H new ATOM 0 HG3 GLU A 453 -6.192 -11.227 -1.328 1.00 15.00 H new ATOM 405 N GLU A 454 -2.245 -8.458 -2.861 1.00 15.00 N ATOM 406 CA GLU A 454 -0.982 -8.170 -3.535 1.00 15.00 C ATOM 407 C GLU A 454 -0.186 -7.118 -2.766 1.00 15.00 C ATOM 408 O GLU A 454 -0.764 -6.254 -2.106 1.00 15.00 O ATOM 409 CB GLU A 454 -1.241 -7.685 -4.968 1.00 15.00 C ATOM 410 CG GLU A 454 -1.879 -6.307 -5.052 1.00 15.00 C ATOM 411 CD GLU A 454 -2.091 -5.846 -6.480 1.00 15.00 C ATOM 412 OE1 GLU A 454 -1.109 -5.422 -7.119 1.00 15.00 O ATOM 413 OE2 GLU A 454 -3.239 -5.907 -6.966 1.00 15.00 O ATOM 0 H GLU A 454 -2.967 -7.752 -3.001 1.00 15.00 H new ATOM 0 HA GLU A 454 -0.398 -9.090 -3.571 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -0.296 -7.670 -5.511 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -1.887 -8.404 -5.472 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -2.838 -6.323 -4.534 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -1.248 -5.587 -4.532 1.00 15.00 H new ATOM 420 N SER A 455 1.135 -7.187 -2.857 1.00 15.00 N ATOM 421 CA SER A 455 1.995 -6.217 -2.191 1.00 15.00 C ATOM 422 C SER A 455 2.933 -5.550 -3.195 1.00 15.00 C ATOM 423 O SER A 455 3.685 -6.221 -3.903 1.00 15.00 O ATOM 424 CB SER A 455 2.808 -6.903 -1.091 1.00 15.00 C ATOM 425 OG SER A 455 1.968 -7.681 -0.255 1.00 15.00 O ATOM 0 H SER A 455 1.634 -7.903 -3.384 1.00 15.00 H new ATOM 0 HA SER A 455 1.365 -5.449 -1.742 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.572 -7.539 -1.540 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.328 -6.153 -0.495 1.00 15.00 H new ATOM 0 HG SER A 455 2.507 -8.112 0.441 1.00 15.00 H new ATOM 431 N THR A 456 2.887 -4.229 -3.258 1.00 15.00 N ATOM 432 CA THR A 456 3.747 -3.485 -4.162 1.00 15.00 C ATOM 433 C THR A 456 4.340 -2.270 -3.450 1.00 15.00 C ATOM 434 O THR A 456 3.738 -1.731 -2.518 1.00 15.00 O ATOM 435 CB THR A 456 2.997 -3.039 -5.442 1.00 15.00 C ATOM 436 OG1 THR A 456 3.929 -2.537 -6.409 1.00 15.00 O ATOM 437 CG2 THR A 456 1.961 -1.970 -5.130 1.00 15.00 C ATOM 0 H THR A 456 2.264 -3.651 -2.694 1.00 15.00 H new ATOM 0 HA THR A 456 4.552 -4.153 -4.469 1.00 15.00 H new ATOM 0 HB THR A 456 2.482 -3.909 -5.848 1.00 15.00 H new ATOM 0 HG1 THR A 456 3.446 -2.259 -7.215 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.452 -1.678 -6.048 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.233 -2.365 -4.421 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.455 -1.100 -4.697 1.00 15.00 H new ATOM 445 N TRP A 457 5.533 -1.867 -3.863 1.00 15.00 N ATOM 446 CA TRP A 457 6.190 -0.712 -3.269 1.00 15.00 C ATOM 447 C TRP A 457 5.829 0.570 -4.015 1.00 15.00 C ATOM 448 O TRP A 457 6.352 1.646 -3.715 1.00 15.00 O ATOM 449 CB TRP A 457 7.706 -0.895 -3.249 1.00 15.00 C ATOM 450 CG TRP A 457 8.162 -2.054 -2.414 1.00 15.00 C ATOM 451 CD1 TRP A 457 8.353 -3.345 -2.816 1.00 15.00 C ATOM 452 CD2 TRP A 457 8.417 -2.031 -1.009 1.00 15.00 C ATOM 453 NE1 TRP A 457 8.774 -4.110 -1.752 1.00 15.00 N ATOM 454 CE2 TRP A 457 8.810 -3.327 -0.629 1.00 15.00 C ATOM 455 CE3 TRP A 457 8.371 -1.034 -0.039 1.00 15.00 C ATOM 456 CZ2 TRP A 457 9.151 -3.647 0.684 1.00 15.00 C ATOM 457 CZ3 TRP A 457 8.703 -1.356 1.260 1.00 15.00 C ATOM 458 CH2 TRP A 457 9.088 -2.643 1.613 1.00 15.00 C ATOM 0 H TRP A 457 6.065 -2.322 -4.605 1.00 15.00 H new ATOM 0 HA TRP A 457 5.836 -0.626 -2.242 1.00 15.00 H new ATOM 0 HB2 TRP A 457 8.060 -1.033 -4.271 1.00 15.00 H new ATOM 0 HB3 TRP A 457 8.168 0.017 -2.872 1.00 15.00 H new ATOM 0 HD1 TRP A 457 8.197 -3.711 -3.820 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.019 -5.099 -1.793 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.081 -0.027 -0.299 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 9.453 -4.647 0.958 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 8.663 -0.590 2.020 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.343 -2.856 2.641 1.00 15.00 H new ATOM 469 N GLU A 458 4.937 0.448 -4.987 1.00 15.00 N ATOM 470 CA GLU A 458 4.431 1.608 -5.699 1.00 15.00 C ATOM 471 C GLU A 458 3.186 2.122 -4.990 1.00 15.00 C ATOM 472 O GLU A 458 2.346 1.337 -4.552 1.00 15.00 O ATOM 473 CB GLU A 458 4.113 1.254 -7.155 1.00 15.00 C ATOM 474 CG GLU A 458 3.625 2.440 -7.977 1.00 15.00 C ATOM 475 CD GLU A 458 4.619 3.584 -7.990 1.00 15.00 C ATOM 476 OE1 GLU A 458 4.594 4.417 -7.060 1.00 15.00 O ATOM 477 OE2 GLU A 458 5.442 3.652 -8.932 1.00 15.00 O ATOM 0 H GLU A 458 4.550 -0.443 -5.299 1.00 15.00 H new ATOM 0 HA GLU A 458 5.193 2.387 -5.705 1.00 15.00 H new ATOM 0 HB2 GLU A 458 5.006 0.841 -7.623 1.00 15.00 H new ATOM 0 HB3 GLU A 458 3.353 0.473 -7.173 1.00 15.00 H new ATOM 0 HG2 GLU A 458 3.436 2.116 -9.000 1.00 15.00 H new ATOM 0 HG3 GLU A 458 2.676 2.792 -7.573 1.00 15.00 H new ATOM 484 N LYS A 459 3.068 3.438 -4.886 1.00 15.00 N ATOM 485 CA LYS A 459 1.975 4.047 -4.145 1.00 15.00 C ATOM 486 C LYS A 459 0.669 3.982 -4.934 1.00 15.00 C ATOM 487 O LYS A 459 0.555 4.563 -6.016 1.00 15.00 O ATOM 488 CB LYS A 459 2.315 5.497 -3.778 1.00 15.00 C ATOM 489 CG LYS A 459 1.202 6.219 -3.029 1.00 15.00 C ATOM 490 CD LYS A 459 1.666 7.569 -2.507 1.00 15.00 C ATOM 491 CE LYS A 459 2.604 7.421 -1.321 1.00 15.00 C ATOM 492 NZ LYS A 459 1.902 6.876 -0.127 1.00 15.00 N ATOM 0 H LYS A 459 3.716 4.104 -5.306 1.00 15.00 H new ATOM 0 HA LYS A 459 1.837 3.481 -3.224 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.217 5.505 -3.166 1.00 15.00 H new ATOM 0 HB3 LYS A 459 2.544 6.049 -4.690 1.00 15.00 H new ATOM 0 HG2 LYS A 459 0.347 6.358 -3.691 1.00 15.00 H new ATOM 0 HG3 LYS A 459 0.863 5.603 -2.196 1.00 15.00 H new ATOM 0 HD2 LYS A 459 2.171 8.113 -3.305 1.00 15.00 H new ATOM 0 HD3 LYS A 459 0.800 8.163 -2.214 1.00 15.00 H new ATOM 0 HE2 LYS A 459 3.429 6.762 -1.590 1.00 15.00 H new ATOM 0 HE3 LYS A 459 3.037 8.391 -1.077 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 1.952 7.566 0.650 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 0.906 6.692 -0.364 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 2.357 5.989 0.168 1.00 15.00 H new ATOM 506 N PRO A 460 -0.324 3.252 -4.388 1.00 15.00 N ATOM 507 CA PRO A 460 -1.644 3.092 -5.000 1.00 15.00 C ATOM 508 C PRO A 460 -2.273 4.421 -5.399 1.00 15.00 C ATOM 509 O PRO A 460 -2.129 5.431 -4.704 1.00 15.00 O ATOM 510 CB PRO A 460 -2.490 2.421 -3.910 1.00 15.00 C ATOM 511 CG PRO A 460 -1.640 2.367 -2.684 1.00 15.00 C ATOM 512 CD PRO A 460 -0.217 2.500 -3.135 1.00 15.00 C ATOM 0 HA PRO A 460 -1.578 2.513 -5.921 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.403 2.987 -3.724 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.793 1.420 -4.216 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.904 3.170 -1.996 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.790 1.428 -2.151 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.389 3.029 -2.400 1.00 15.00 H new ATOM 0 HD3 PRO A 460 0.248 1.526 -3.290 1.00 15.00 H new ATOM 520 N GLN A 461 -3.011 4.388 -6.497 1.00 15.00 N ATOM 521 CA GLN A 461 -3.615 5.583 -7.076 1.00 15.00 C ATOM 522 C GLN A 461 -4.605 6.224 -6.119 1.00 15.00 C ATOM 523 O GLN A 461 -4.830 7.430 -6.155 1.00 15.00 O ATOM 524 CB GLN A 461 -4.327 5.216 -8.368 1.00 15.00 C ATOM 525 CG GLN A 461 -4.552 6.391 -9.312 1.00 15.00 C ATOM 526 CD GLN A 461 -5.074 5.960 -10.670 1.00 15.00 C ATOM 527 OE1 GLN A 461 -4.648 4.794 -11.132 1.00 15.00 O flip ATOM 528 NE2 GLN A 461 -5.842 6.681 -11.307 1.00 15.00 N flip ATOM 0 H GLN A 461 -3.210 3.532 -7.015 1.00 15.00 H new ATOM 0 HA GLN A 461 -2.820 6.302 -7.275 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -3.745 4.454 -8.887 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.291 4.770 -8.124 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -5.260 7.085 -8.859 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -3.614 6.931 -9.443 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -6.147 7.572 -10.916 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -6.173 6.387 -12.226 1.00 15.00 H new ATOM 537 N GLU A 462 -5.219 5.404 -5.292 1.00 15.00 N ATOM 538 CA GLU A 462 -6.199 5.890 -4.323 1.00 15.00 C ATOM 539 C GLU A 462 -5.526 6.443 -3.063 1.00 15.00 C ATOM 540 O GLU A 462 -6.196 6.966 -2.172 1.00 15.00 O ATOM 541 CB GLU A 462 -7.179 4.776 -3.948 1.00 15.00 C ATOM 542 CG GLU A 462 -6.514 3.538 -3.365 1.00 15.00 C ATOM 543 CD GLU A 462 -7.524 2.526 -2.867 1.00 15.00 C ATOM 544 OE1 GLU A 462 -8.243 1.934 -3.704 1.00 15.00 O ATOM 545 OE2 GLU A 462 -7.616 2.330 -1.638 1.00 15.00 O ATOM 0 H GLU A 462 -5.062 4.397 -5.266 1.00 15.00 H new ATOM 0 HA GLU A 462 -6.747 6.706 -4.795 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -7.896 5.165 -3.225 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -7.744 4.489 -4.835 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -5.883 3.075 -4.124 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.861 3.832 -2.543 1.00 15.00 H new ATOM 552 N LEU A 463 -4.203 6.343 -2.992 1.00 15.00 N ATOM 553 CA LEU A 463 -3.479 6.758 -1.795 1.00 15.00 C ATOM 554 C LEU A 463 -2.454 7.846 -2.112 1.00 15.00 C ATOM 555 O LEU A 463 -1.730 8.305 -1.228 1.00 15.00 O ATOM 556 CB LEU A 463 -2.775 5.550 -1.171 1.00 15.00 C ATOM 557 CG LEU A 463 -2.212 5.765 0.237 1.00 15.00 C ATOM 558 CD1 LEU A 463 -3.328 6.086 1.221 1.00 15.00 C ATOM 559 CD2 LEU A 463 -1.431 4.539 0.684 1.00 15.00 C ATOM 0 H LEU A 463 -3.614 5.981 -3.742 1.00 15.00 H new ATOM 0 HA LEU A 463 -4.201 7.169 -1.089 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.480 4.719 -1.138 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.958 5.249 -1.827 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.532 6.617 0.213 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.905 6.235 2.215 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.841 6.994 0.905 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.038 5.259 1.249 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.036 4.705 1.686 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.090 3.671 0.693 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.606 4.361 -0.006 1.00 15.00 H new ATOM 571 N LYS A 464 -2.391 8.259 -3.365 1.00 15.00 N ATOM 572 CA LYS A 464 -1.429 9.274 -3.767 1.00 15.00 C ATOM 573 C LYS A 464 -2.095 10.640 -3.867 1.00 15.00 C ATOM 574 O LYS A 464 -1.424 11.602 -4.301 1.00 15.00 O ATOM 575 CB LYS A 464 -0.747 8.890 -5.090 1.00 15.00 C ATOM 576 CG LYS A 464 -1.694 8.466 -6.211 1.00 15.00 C ATOM 577 CD LYS A 464 -2.525 9.619 -6.771 1.00 15.00 C ATOM 578 CE LYS A 464 -1.705 10.564 -7.645 1.00 15.00 C ATOM 579 NZ LYS A 464 -0.656 11.300 -6.886 1.00 15.00 N ATOM 580 OXT LYS A 464 -3.289 10.741 -3.528 1.00 15.00 O ATOM 0 H LYS A 464 -2.987 7.913 -4.117 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.657 9.334 -3.000 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -0.157 9.739 -5.436 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -0.050 8.075 -4.897 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -1.113 8.021 -7.019 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -2.365 7.692 -5.837 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -3.352 9.215 -7.355 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -2.962 10.181 -5.946 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -1.233 9.992 -8.444 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -2.373 11.283 -8.119 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -0.550 12.257 -7.279 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -0.933 11.366 -5.886 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 0.248 10.792 -6.962 1.00 15.00 H new TER 594 LYS A 464