USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 270 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= -2.47! C(o=-1.6!,f=-4.3!) USER MOD Set 1.2: A 452 THR OG1 : rot 180:sc= 0.824 USER MOD Set 2.1: A 433 SER OG : rot -150:sc= 0.57 USER MOD Set 2.2: A 464 LYS NZ :NH3+ -147:sc= 0.621 (180deg=-0.142) 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+ 178:sc= -0.113 (180deg=-0.122) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 444 LYS NZ :NH3+ -126:sc= 0.264 (180deg=-0.449) USER MOD Single : A 445 THR OG1 : rot 47:sc= 0.36 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot -123:sc= 1.05 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= 0.885 K(o=0.88,f=-0.24) USER MOD Single : A 455 SER OG : rot 41:sc= 0.279 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 431 -10.068 5.963 -10.794 1.00 15.00 N ATOM 2 CA ALA A 431 -10.316 6.993 -9.799 1.00 15.00 C ATOM 3 C ALA A 431 -9.810 6.539 -8.439 1.00 15.00 C ATOM 4 O ALA A 431 -8.986 7.202 -7.811 1.00 15.00 O ATOM 5 CB ALA A 431 -11.799 7.333 -9.736 1.00 15.00 C ATOM 0 HA ALA A 431 -9.775 7.894 -10.088 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -11.964 8.106 -8.985 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -12.131 7.696 -10.709 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -12.366 6.441 -9.469 1.00 15.00 H new ATOM 11 N VAL A 432 -10.289 5.383 -8.006 1.00 15.00 N ATOM 12 CA VAL A 432 -9.896 4.828 -6.724 1.00 15.00 C ATOM 13 C VAL A 432 -8.593 4.055 -6.861 1.00 15.00 C ATOM 14 O VAL A 432 -8.454 3.202 -7.740 1.00 15.00 O ATOM 15 CB VAL A 432 -10.982 3.891 -6.154 1.00 15.00 C ATOM 16 CG1 VAL A 432 -10.562 3.320 -4.806 1.00 15.00 C ATOM 17 CG2 VAL A 432 -12.304 4.627 -6.032 1.00 15.00 C ATOM 0 H VAL A 432 -10.953 4.811 -8.527 1.00 15.00 H new ATOM 0 HA VAL A 432 -9.762 5.663 -6.036 1.00 15.00 H new ATOM 0 HB VAL A 432 -11.108 3.058 -6.846 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -11.346 2.664 -4.429 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -9.639 2.752 -4.923 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -10.400 4.135 -4.100 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -13.060 3.953 -5.629 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -12.185 5.480 -5.364 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -12.618 4.977 -7.015 1.00 15.00 H new ATOM 27 N SER A 433 -7.636 4.381 -6.014 1.00 15.00 N ATOM 28 CA SER A 433 -6.380 3.661 -5.963 1.00 15.00 C ATOM 29 C SER A 433 -6.202 3.066 -4.575 1.00 15.00 C ATOM 30 O SER A 433 -5.924 3.781 -3.611 1.00 15.00 O ATOM 31 CB SER A 433 -5.223 4.593 -6.308 1.00 15.00 C ATOM 32 OG SER A 433 -5.487 5.287 -7.516 1.00 15.00 O ATOM 0 H SER A 433 -7.707 5.148 -5.346 1.00 15.00 H new ATOM 0 HA SER A 433 -6.390 2.854 -6.696 1.00 15.00 H new ATOM 0 HB2 SER A 433 -5.069 5.306 -5.498 1.00 15.00 H new ATOM 0 HB3 SER A 433 -4.302 4.018 -6.406 1.00 15.00 H new ATOM 0 HG SER A 433 -4.642 5.485 -7.971 1.00 15.00 H new ATOM 38 N GLU A 434 -6.392 1.761 -4.477 1.00 15.00 N ATOM 39 CA GLU A 434 -6.429 1.087 -3.191 1.00 15.00 C ATOM 40 C GLU A 434 -5.092 0.456 -2.833 1.00 15.00 C ATOM 41 O GLU A 434 -4.497 -0.276 -3.628 1.00 15.00 O ATOM 42 CB GLU A 434 -7.511 0.018 -3.198 1.00 15.00 C ATOM 43 CG GLU A 434 -7.414 -0.941 -4.376 1.00 15.00 C ATOM 44 CD GLU A 434 -8.520 -1.971 -4.385 1.00 15.00 C ATOM 45 OE1 GLU A 434 -9.648 -1.627 -4.789 1.00 15.00 O ATOM 46 OE2 GLU A 434 -8.269 -3.128 -3.992 1.00 15.00 O1- ATOM 0 H GLU A 434 -6.524 1.144 -5.279 1.00 15.00 H new ATOM 0 HA GLU A 434 -6.652 1.841 -2.436 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -7.453 -0.552 -2.271 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -8.488 0.502 -3.214 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -7.446 -0.372 -5.305 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -6.450 -1.449 -4.346 1.00 15.00 H new ATOM 53 N TRP A 435 -4.637 0.740 -1.624 1.00 15.00 N ATOM 54 CA TRP A 435 -3.407 0.167 -1.102 1.00 15.00 C ATOM 55 C TRP A 435 -3.605 -0.163 0.371 1.00 15.00 C ATOM 56 O TRP A 435 -3.845 0.733 1.181 1.00 15.00 O ATOM 57 CB TRP A 435 -2.241 1.148 -1.271 1.00 15.00 C ATOM 58 CG TRP A 435 -2.096 1.669 -2.672 1.00 15.00 C ATOM 59 CD1 TRP A 435 -2.779 2.709 -3.235 1.00 15.00 C ATOM 60 CD2 TRP A 435 -1.236 1.161 -3.694 1.00 15.00 C ATOM 61 NE1 TRP A 435 -2.382 2.889 -4.534 1.00 15.00 N ATOM 62 CE2 TRP A 435 -1.439 1.950 -4.838 1.00 15.00 C ATOM 63 CE3 TRP A 435 -0.309 0.120 -3.750 1.00 15.00 C ATOM 64 CZ2 TRP A 435 -0.757 1.731 -6.024 1.00 15.00 C ATOM 65 CZ3 TRP A 435 0.367 -0.103 -4.937 1.00 15.00 C ATOM 66 CH2 TRP A 435 0.140 0.699 -6.059 1.00 15.00 C ATOM 0 H TRP A 435 -5.108 1.373 -0.978 1.00 15.00 H new ATOM 0 HA TRP A 435 -3.168 -0.741 -1.656 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -2.382 1.989 -0.592 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -1.315 0.654 -0.978 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -3.525 3.304 -2.729 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -2.733 3.606 -5.169 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -0.123 -0.499 -2.885 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -0.928 2.353 -6.890 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.082 -0.910 -4.997 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.683 0.500 -6.971 1.00 15.00 H new ATOM 77 N THR A 436 -3.551 -1.438 0.715 1.00 15.00 N ATOM 78 CA THR A 436 -3.772 -1.860 2.089 1.00 15.00 C ATOM 79 C THR A 436 -2.459 -1.887 2.864 1.00 15.00 C ATOM 80 O THR A 436 -1.553 -2.658 2.547 1.00 15.00 O ATOM 81 CB THR A 436 -4.436 -3.251 2.139 1.00 15.00 C ATOM 82 OG1 THR A 436 -5.642 -3.236 1.364 1.00 15.00 O ATOM 83 CG2 THR A 436 -4.755 -3.655 3.573 1.00 15.00 C ATOM 0 H THR A 436 -3.356 -2.199 0.064 1.00 15.00 H new ATOM 0 HA THR A 436 -4.442 -1.136 2.554 1.00 15.00 H new ATOM 0 HB THR A 436 -3.739 -3.979 1.725 1.00 15.00 H new ATOM 0 HG1 THR A 436 -6.062 -4.121 1.395 1.00 15.00 H new ATOM 0 HG21 THR A 436 -5.222 -4.640 3.578 1.00 15.00 H new ATOM 0 HG22 THR A 436 -3.834 -3.687 4.155 1.00 15.00 H new ATOM 0 HG23 THR A 436 -5.437 -2.927 4.013 1.00 15.00 H new ATOM 91 N GLU A 437 -2.359 -1.041 3.876 1.00 15.00 N ATOM 92 CA GLU A 437 -1.142 -0.944 4.664 1.00 15.00 C ATOM 93 C GLU A 437 -1.171 -1.906 5.839 1.00 15.00 C ATOM 94 O GLU A 437 -2.109 -1.910 6.640 1.00 15.00 O ATOM 95 CB GLU A 437 -0.933 0.481 5.175 1.00 15.00 C ATOM 96 CG GLU A 437 -2.126 1.048 5.925 1.00 15.00 C ATOM 97 CD GLU A 437 -1.820 2.365 6.599 1.00 15.00 C ATOM 98 OE1 GLU A 437 -1.567 3.358 5.888 1.00 15.00 O1- ATOM 99 OE2 GLU A 437 -1.827 2.407 7.848 1.00 15.00 O ATOM 0 H GLU A 437 -3.106 -0.412 4.171 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.311 -1.212 4.011 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -0.063 0.497 5.831 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.706 1.130 4.329 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -2.955 1.184 5.231 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.454 0.328 6.675 1.00 15.00 H new ATOM 106 N TYR A 438 -0.140 -2.721 5.939 1.00 15.00 N ATOM 107 CA TYR A 438 0.050 -3.559 7.104 1.00 15.00 C ATOM 108 C TYR A 438 1.256 -3.066 7.886 1.00 15.00 C ATOM 109 O TYR A 438 2.392 -3.174 7.420 1.00 15.00 O ATOM 110 CB TYR A 438 0.257 -5.025 6.711 1.00 15.00 C ATOM 111 CG TYR A 438 -0.941 -5.673 6.051 1.00 15.00 C ATOM 112 CD1 TYR A 438 -1.927 -6.288 6.813 1.00 15.00 C ATOM 113 CD2 TYR A 438 -1.080 -5.683 4.668 1.00 15.00 C ATOM 114 CE1 TYR A 438 -3.018 -6.890 6.216 1.00 15.00 C ATOM 115 CE2 TYR A 438 -2.168 -6.286 4.065 1.00 15.00 C ATOM 116 CZ TYR A 438 -3.133 -6.887 4.842 1.00 15.00 C ATOM 117 OH TYR A 438 -4.214 -7.493 4.243 1.00 15.00 O ATOM 0 H TYR A 438 0.581 -2.820 5.224 1.00 15.00 H new ATOM 0 HA TYR A 438 -0.848 -3.499 7.719 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.108 -5.090 6.033 1.00 15.00 H new ATOM 0 HB3 TYR A 438 0.516 -5.594 7.604 1.00 15.00 H new ATOM 0 HD1 TYR A 438 -1.839 -6.296 7.889 1.00 15.00 H new ATOM 0 HD2 TYR A 438 -0.326 -5.212 4.055 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -3.777 -7.361 6.823 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -2.261 -6.286 2.989 1.00 15.00 H new ATOM 0 HH TYR A 438 -4.143 -7.400 3.270 1.00 15.00 H new ATOM 127 N LYS A 439 1.017 -2.486 9.050 1.00 15.00 N ATOM 128 CA LYS A 439 2.113 -2.059 9.898 1.00 15.00 C ATOM 129 C LYS A 439 2.508 -3.181 10.844 1.00 15.00 C ATOM 130 O LYS A 439 1.767 -3.537 11.762 1.00 15.00 O ATOM 131 CB LYS A 439 1.773 -0.776 10.671 1.00 15.00 C ATOM 132 CG LYS A 439 0.475 -0.834 11.465 1.00 15.00 C ATOM 133 CD LYS A 439 0.254 0.441 12.270 1.00 15.00 C ATOM 134 CE LYS A 439 0.279 1.681 11.390 1.00 15.00 C ATOM 135 NZ LYS A 439 -0.781 1.656 10.347 1.00 15.00 N1+ ATOM 0 H LYS A 439 0.086 -2.302 9.424 1.00 15.00 H new ATOM 0 HA LYS A 439 2.963 -1.825 9.257 1.00 15.00 H new ATOM 0 HB2 LYS A 439 2.592 -0.553 11.355 1.00 15.00 H new ATOM 0 HB3 LYS A 439 1.714 0.052 9.965 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -0.363 -0.985 10.784 1.00 15.00 H new ATOM 0 HG3 LYS A 439 0.497 -1.691 12.138 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -0.704 0.382 12.787 1.00 15.00 H new ATOM 0 HD3 LYS A 439 1.025 0.524 13.036 1.00 15.00 H new ATOM 0 HE2 LYS A 439 0.153 2.567 12.012 1.00 15.00 H new ATOM 0 HE3 LYS A 439 1.255 1.764 10.911 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -0.745 2.536 9.795 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -0.627 0.844 9.715 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -1.713 1.570 10.801 1.00 15.00 H new ATOM 149 N THR A 440 3.656 -3.777 10.577 1.00 15.00 N ATOM 150 CA THR A 440 4.162 -4.836 11.418 1.00 15.00 C ATOM 151 C THR A 440 5.110 -4.262 12.462 1.00 15.00 C ATOM 152 O THR A 440 5.882 -3.334 12.174 1.00 15.00 O ATOM 153 CB THR A 440 4.877 -5.938 10.593 1.00 15.00 C ATOM 154 OG1 THR A 440 5.444 -6.922 11.466 1.00 15.00 O ATOM 155 CG2 THR A 440 5.971 -5.354 9.707 1.00 15.00 C ATOM 0 H THR A 440 4.252 -3.543 9.783 1.00 15.00 H new ATOM 0 HA THR A 440 3.311 -5.300 11.916 1.00 15.00 H new ATOM 0 HB THR A 440 4.129 -6.404 9.951 1.00 15.00 H new ATOM 0 HG1 THR A 440 5.891 -7.613 10.934 1.00 15.00 H new ATOM 0 HG21 THR A 440 6.450 -6.155 9.144 1.00 15.00 H new ATOM 0 HG22 THR A 440 5.533 -4.635 9.014 1.00 15.00 H new ATOM 0 HG23 THR A 440 6.714 -4.853 10.328 1.00 15.00 H new ATOM 163 N ALA A 441 5.056 -4.826 13.670 1.00 15.00 N ATOM 164 CA ALA A 441 5.898 -4.379 14.776 1.00 15.00 C ATOM 165 C ALA A 441 7.365 -4.680 14.494 1.00 15.00 C ATOM 166 O ALA A 441 8.246 -4.356 15.288 1.00 15.00 O ATOM 167 CB ALA A 441 5.458 -5.033 16.074 1.00 15.00 C ATOM 0 H ALA A 441 4.433 -5.598 13.906 1.00 15.00 H new ATOM 0 HA ALA A 441 5.787 -3.299 14.877 1.00 15.00 H new ATOM 0 HB1 ALA A 441 6.095 -4.690 16.889 1.00 15.00 H new ATOM 0 HB2 ALA A 441 4.423 -4.764 16.285 1.00 15.00 H new ATOM 0 HB3 ALA A 441 5.539 -6.116 15.982 1.00 15.00 H new ATOM 173 N ASP A 442 7.607 -5.299 13.346 1.00 15.00 N ATOM 174 CA ASP A 442 8.951 -5.545 12.852 1.00 15.00 C ATOM 175 C ASP A 442 9.618 -4.218 12.464 1.00 15.00 C ATOM 176 O ASP A 442 10.790 -4.176 12.093 1.00 15.00 O ATOM 177 CB ASP A 442 8.887 -6.488 11.649 1.00 15.00 C ATOM 178 CG ASP A 442 10.215 -7.131 11.332 1.00 15.00 C ATOM 179 OD1 ASP A 442 10.572 -8.121 11.997 1.00 15.00 O ATOM 180 OD2 ASP A 442 10.896 -6.669 10.400 1.00 15.00 O1- ATOM 0 H ASP A 442 6.871 -5.645 12.730 1.00 15.00 H new ATOM 0 HA ASP A 442 9.548 -6.013 13.635 1.00 15.00 H new ATOM 0 HB2 ASP A 442 8.150 -7.267 11.844 1.00 15.00 H new ATOM 0 HB3 ASP A 442 8.541 -5.933 10.777 1.00 15.00 H new ATOM 185 N GLY A 443 8.844 -3.136 12.559 1.00 15.00 N ATOM 186 CA GLY A 443 9.371 -1.799 12.356 1.00 15.00 C ATOM 187 C GLY A 443 9.286 -1.349 10.918 1.00 15.00 C ATOM 188 O GLY A 443 10.104 -0.551 10.455 1.00 15.00 O ATOM 0 H GLY A 443 7.848 -3.167 12.776 1.00 15.00 H new ATOM 0 HA2 GLY A 443 8.822 -1.098 12.984 1.00 15.00 H new ATOM 0 HA3 GLY A 443 10.411 -1.770 12.680 1.00 15.00 H new ATOM 192 N LYS A 444 8.295 -1.863 10.200 1.00 15.00 N ATOM 193 CA LYS A 444 8.085 -1.448 8.818 1.00 15.00 C ATOM 194 C LYS A 444 6.621 -1.529 8.402 1.00 15.00 C ATOM 195 O LYS A 444 5.926 -2.501 8.693 1.00 15.00 O ATOM 196 CB LYS A 444 8.966 -2.252 7.852 1.00 15.00 C ATOM 197 CG LYS A 444 9.152 -3.722 8.202 1.00 15.00 C ATOM 198 CD LYS A 444 9.903 -4.426 7.083 1.00 15.00 C ATOM 199 CE LYS A 444 10.459 -5.779 7.492 1.00 15.00 C ATOM 200 NZ LYS A 444 9.422 -6.707 8.013 1.00 15.00 N1+ ATOM 0 H LYS A 444 7.633 -2.558 10.545 1.00 15.00 H new ATOM 0 HA LYS A 444 8.380 -0.400 8.763 1.00 15.00 H new ATOM 0 HB2 LYS A 444 8.534 -2.186 6.854 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.948 -1.781 7.806 1.00 15.00 H new ATOM 0 HG2 LYS A 444 9.703 -3.816 9.138 1.00 15.00 H new ATOM 0 HG3 LYS A 444 8.182 -4.195 8.355 1.00 15.00 H new ATOM 0 HD2 LYS A 444 9.234 -4.558 6.232 1.00 15.00 H new ATOM 0 HD3 LYS A 444 10.723 -3.790 6.748 1.00 15.00 H new ATOM 0 HE2 LYS A 444 10.949 -6.238 6.633 1.00 15.00 H new ATOM 0 HE3 LYS A 444 11.224 -5.634 8.255 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 9.707 -7.055 8.951 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 8.514 -6.205 8.091 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 9.318 -7.512 7.363 1.00 15.00 H new ATOM 214 N THR A 445 6.174 -0.499 7.697 1.00 15.00 N ATOM 215 CA THR A 445 4.828 -0.454 7.152 1.00 15.00 C ATOM 216 C THR A 445 4.849 -0.850 5.684 1.00 15.00 C ATOM 217 O THR A 445 5.379 -0.114 4.852 1.00 15.00 O ATOM 218 CB THR A 445 4.228 0.962 7.280 1.00 15.00 C ATOM 219 OG1 THR A 445 5.169 1.934 6.804 1.00 15.00 O ATOM 220 CG2 THR A 445 3.850 1.274 8.718 1.00 15.00 C ATOM 0 H THR A 445 6.735 0.327 7.488 1.00 15.00 H new ATOM 0 HA THR A 445 4.212 -1.153 7.718 1.00 15.00 H new ATOM 0 HB THR A 445 3.322 1.001 6.675 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.540 1.638 5.946 1.00 15.00 H new ATOM 0 HG21 THR A 445 3.430 2.278 8.774 1.00 15.00 H new ATOM 0 HG22 THR A 445 3.111 0.552 9.065 1.00 15.00 H new ATOM 0 HG23 THR A 445 4.737 1.216 9.348 1.00 15.00 H new ATOM 228 N TYR A 446 4.298 -2.010 5.361 1.00 15.00 N ATOM 229 CA TYR A 446 4.283 -2.464 3.981 1.00 15.00 C ATOM 230 C TYR A 446 2.869 -2.427 3.416 1.00 15.00 C ATOM 231 O TYR A 446 1.919 -2.922 4.028 1.00 15.00 O ATOM 232 CB TYR A 446 4.907 -3.862 3.847 1.00 15.00 C ATOM 233 CG TYR A 446 4.220 -4.966 4.626 1.00 15.00 C ATOM 234 CD1 TYR A 446 4.537 -5.208 5.956 1.00 15.00 C ATOM 235 CD2 TYR A 446 3.278 -5.783 4.017 1.00 15.00 C ATOM 236 CE1 TYR A 446 3.931 -6.234 6.656 1.00 15.00 C ATOM 237 CE2 TYR A 446 2.666 -6.805 4.711 1.00 15.00 C ATOM 238 CZ TYR A 446 2.998 -7.029 6.029 1.00 15.00 C ATOM 239 OH TYR A 446 2.397 -8.056 6.717 1.00 15.00 O ATOM 0 H TYR A 446 3.861 -2.647 6.027 1.00 15.00 H new ATOM 0 HA TYR A 446 4.895 -1.779 3.393 1.00 15.00 H new ATOM 0 HB2 TYR A 446 4.914 -4.137 2.792 1.00 15.00 H new ATOM 0 HB3 TYR A 446 5.947 -3.808 4.169 1.00 15.00 H new ATOM 0 HD1 TYR A 446 5.268 -4.585 6.451 1.00 15.00 H new ATOM 0 HD2 TYR A 446 3.020 -5.615 2.982 1.00 15.00 H new ATOM 0 HE1 TYR A 446 4.188 -6.411 7.690 1.00 15.00 H new ATOM 0 HE2 TYR A 446 1.930 -7.427 4.224 1.00 15.00 H new ATOM 0 HH TYR A 446 1.763 -8.517 6.129 1.00 15.00 H new ATOM 249 N TYR A 447 2.746 -1.817 2.252 1.00 15.00 N ATOM 250 CA TYR A 447 1.475 -1.696 1.562 1.00 15.00 C ATOM 251 C TYR A 447 1.332 -2.811 0.537 1.00 15.00 C ATOM 252 O TYR A 447 2.127 -2.916 -0.400 1.00 15.00 O ATOM 253 CB TYR A 447 1.366 -0.325 0.879 1.00 15.00 C ATOM 254 CG TYR A 447 1.222 0.837 1.844 1.00 15.00 C ATOM 255 CD1 TYR A 447 2.235 1.162 2.742 1.00 15.00 C ATOM 256 CD2 TYR A 447 0.063 1.604 1.860 1.00 15.00 C ATOM 257 CE1 TYR A 447 2.095 2.217 3.626 1.00 15.00 C ATOM 258 CE2 TYR A 447 -0.083 2.659 2.742 1.00 15.00 C ATOM 259 CZ TYR A 447 0.935 2.961 3.623 1.00 15.00 C ATOM 260 OH TYR A 447 0.787 4.004 4.507 1.00 15.00 O ATOM 0 H TYR A 447 3.528 -1.390 1.756 1.00 15.00 H new ATOM 0 HA TYR A 447 0.669 -1.783 2.291 1.00 15.00 H new ATOM 0 HB2 TYR A 447 2.252 -0.166 0.264 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.509 -0.333 0.206 1.00 15.00 H new ATOM 0 HD1 TYR A 447 3.145 0.581 2.749 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -0.737 1.372 1.172 1.00 15.00 H new ATOM 0 HE1 TYR A 447 2.891 2.456 4.315 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -0.991 3.244 2.741 1.00 15.00 H new ATOM 0 HH TYR A 447 -0.022 3.866 5.043 1.00 15.00 H new ATOM 270 N TYR A 448 0.335 -3.653 0.736 1.00 15.00 N ATOM 271 CA TYR A 448 0.085 -4.768 -0.158 1.00 15.00 C ATOM 272 C TYR A 448 -1.030 -4.405 -1.127 1.00 15.00 C ATOM 273 O TYR A 448 -2.105 -3.965 -0.713 1.00 15.00 O ATOM 274 CB TYR A 448 -0.292 -6.014 0.649 1.00 15.00 C ATOM 275 CG TYR A 448 -0.447 -7.267 -0.188 1.00 15.00 C ATOM 276 CD1 TYR A 448 0.656 -8.051 -0.507 1.00 15.00 C ATOM 277 CD2 TYR A 448 -1.693 -7.668 -0.660 1.00 15.00 C ATOM 278 CE1 TYR A 448 0.522 -9.196 -1.269 1.00 15.00 C ATOM 279 CE2 TYR A 448 -1.833 -8.811 -1.423 1.00 15.00 C ATOM 280 CZ TYR A 448 -0.723 -9.571 -1.723 1.00 15.00 C ATOM 281 OH TYR A 448 -0.859 -10.711 -2.479 1.00 15.00 O ATOM 0 H TYR A 448 -0.319 -3.585 1.515 1.00 15.00 H new ATOM 0 HA TYR A 448 0.990 -4.985 -0.726 1.00 15.00 H new ATOM 0 HB2 TYR A 448 0.472 -6.188 1.407 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.227 -5.824 1.176 1.00 15.00 H new ATOM 0 HD1 TYR A 448 1.634 -7.760 -0.153 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -2.565 -7.076 -0.426 1.00 15.00 H new ATOM 0 HE1 TYR A 448 1.389 -9.794 -1.507 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -2.807 -9.108 -1.783 1.00 15.00 H new ATOM 0 HH TYR A 448 -1.801 -10.834 -2.718 1.00 15.00 H new ATOM 291 N ASN A 449 -0.772 -4.579 -2.410 1.00 15.00 N ATOM 292 CA ASN A 449 -1.756 -4.252 -3.428 1.00 15.00 C ATOM 293 C ASN A 449 -2.072 -5.460 -4.292 1.00 15.00 C ATOM 294 O ASN A 449 -1.192 -6.262 -4.621 1.00 15.00 O ATOM 295 CB ASN A 449 -1.262 -3.110 -4.322 1.00 15.00 C ATOM 296 CG ASN A 449 -0.029 -3.480 -5.136 1.00 15.00 C ATOM 297 OD1 ASN A 449 0.791 -4.289 -4.719 1.00 15.00 O ATOM 298 ND2 ASN A 449 0.111 -2.885 -6.310 1.00 15.00 N ATOM 0 H ASN A 449 0.109 -4.944 -2.773 1.00 15.00 H new ATOM 0 HA ASN A 449 -2.662 -3.937 -2.911 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -2.063 -2.815 -5.000 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -1.034 -2.243 -3.702 1.00 15.00 H new ATOM 0 HD21 ASN A 449 0.919 -3.096 -6.895 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -0.589 -2.216 -6.629 1.00 15.00 H new ATOM 305 N ASN A 450 -3.333 -5.563 -4.680 1.00 15.00 N ATOM 306 CA ASN A 450 -3.766 -6.590 -5.614 1.00 15.00 C ATOM 307 C ASN A 450 -3.488 -6.152 -7.050 1.00 15.00 C ATOM 308 O ASN A 450 -3.812 -6.865 -7.997 1.00 15.00 O ATOM 309 CB ASN A 450 -5.259 -6.897 -5.432 1.00 15.00 C ATOM 310 CG ASN A 450 -6.131 -5.656 -5.487 1.00 15.00 C ATOM 311 OD1 ASN A 450 -6.511 -5.195 -6.563 1.00 15.00 O ATOM 312 ND2 ASN A 450 -6.472 -5.123 -4.323 1.00 15.00 N ATOM 0 H ASN A 450 -4.078 -4.944 -4.361 1.00 15.00 H new ATOM 0 HA ASN A 450 -3.201 -7.499 -5.408 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -5.578 -7.593 -6.208 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -5.407 -7.396 -4.475 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.072 -4.299 -4.296 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.135 -5.537 -3.454 1.00 15.00 H new ATOM 319 N ARG A 451 -2.872 -4.979 -7.205 1.00 15.00 N ATOM 320 CA ARG A 451 -2.500 -4.491 -8.526 1.00 15.00 C ATOM 321 C ARG A 451 -1.294 -5.241 -9.068 1.00 15.00 C ATOM 322 O ARG A 451 -1.269 -5.628 -10.235 1.00 15.00 O ATOM 323 CB ARG A 451 -2.249 -2.983 -8.525 1.00 15.00 C ATOM 324 CG ARG A 451 -3.523 -2.167 -8.645 1.00 15.00 C ATOM 325 CD ARG A 451 -3.223 -0.691 -8.826 1.00 15.00 C ATOM 326 NE ARG A 451 -4.422 0.073 -9.166 1.00 15.00 N ATOM 327 CZ ARG A 451 -4.468 1.403 -9.213 1.00 15.00 C ATOM 328 NH1 ARG A 451 -3.383 2.114 -8.951 1.00 15.00 N1+ ATOM 329 NH2 ARG A 451 -5.595 2.023 -9.541 1.00 15.00 N ATOM 0 H ARG A 451 -2.623 -4.356 -6.436 1.00 15.00 H new ATOM 0 HA ARG A 451 -3.344 -4.681 -9.189 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -1.733 -2.707 -7.605 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -1.584 -2.731 -9.351 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -4.108 -2.527 -9.491 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -4.132 -2.309 -7.753 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -2.788 -0.294 -7.909 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -2.478 -0.566 -9.612 1.00 15.00 H new ATOM 0 HE ARG A 451 -5.275 -0.444 -9.380 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -2.510 1.643 -8.713 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -3.420 3.133 -8.987 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -6.431 1.480 -9.758 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -5.625 3.042 -9.576 1.00 15.00 H new ATOM 343 N THR A 452 -0.284 -5.423 -8.230 1.00 15.00 N ATOM 344 CA THR A 452 0.888 -6.195 -8.622 1.00 15.00 C ATOM 345 C THR A 452 1.067 -7.460 -7.777 1.00 15.00 C ATOM 346 O THR A 452 2.007 -8.226 -8.001 1.00 15.00 O ATOM 347 CB THR A 452 2.166 -5.338 -8.547 1.00 15.00 C ATOM 348 OG1 THR A 452 2.085 -4.427 -7.445 1.00 15.00 O ATOM 349 CG2 THR A 452 2.375 -4.562 -9.836 1.00 15.00 C ATOM 0 H THR A 452 -0.251 -5.050 -7.281 1.00 15.00 H new ATOM 0 HA THR A 452 0.719 -6.504 -9.654 1.00 15.00 H new ATOM 0 HB THR A 452 3.014 -6.007 -8.402 1.00 15.00 H new ATOM 0 HG1 THR A 452 2.902 -3.888 -7.405 1.00 15.00 H new ATOM 0 HG21 THR A 452 3.284 -3.965 -9.758 1.00 15.00 H new ATOM 0 HG22 THR A 452 2.469 -5.259 -10.669 1.00 15.00 H new ATOM 0 HG23 THR A 452 1.522 -3.905 -10.007 1.00 15.00 H new ATOM 357 N LEU A 453 0.153 -7.689 -6.823 1.00 15.00 N ATOM 358 CA LEU A 453 0.248 -8.824 -5.901 1.00 15.00 C ATOM 359 C LEU A 453 1.574 -8.784 -5.155 1.00 15.00 C ATOM 360 O LEU A 453 2.283 -9.789 -5.053 1.00 15.00 O ATOM 361 CB LEU A 453 0.093 -10.167 -6.638 1.00 15.00 C ATOM 362 CG LEU A 453 -1.322 -10.510 -7.121 1.00 15.00 C ATOM 363 CD1 LEU A 453 -1.724 -9.653 -8.312 1.00 15.00 C ATOM 364 CD2 LEU A 453 -1.417 -11.989 -7.469 1.00 15.00 C ATOM 0 H LEU A 453 -0.664 -7.098 -6.672 1.00 15.00 H new ATOM 0 HA LEU A 453 -0.570 -8.741 -5.185 1.00 15.00 H new ATOM 0 HB2 LEU A 453 0.759 -10.164 -7.501 1.00 15.00 H new ATOM 0 HB3 LEU A 453 0.432 -10.963 -5.976 1.00 15.00 H new ATOM 0 HG LEU A 453 -2.017 -10.295 -6.309 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -2.732 -9.921 -8.630 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -1.701 -8.601 -8.028 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -1.028 -9.822 -9.133 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -2.426 -12.218 -7.810 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -0.705 -12.223 -8.260 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -1.188 -12.586 -6.586 1.00 15.00 H new ATOM 376 N GLU A 454 1.895 -7.621 -4.615 1.00 15.00 N ATOM 377 CA GLU A 454 3.188 -7.411 -3.989 1.00 15.00 C ATOM 378 C GLU A 454 3.063 -6.487 -2.786 1.00 15.00 C ATOM 379 O GLU A 454 2.191 -5.619 -2.738 1.00 15.00 O ATOM 380 CB GLU A 454 4.167 -6.821 -5.008 1.00 15.00 C ATOM 381 CG GLU A 454 5.587 -6.677 -4.483 1.00 15.00 C ATOM 382 CD GLU A 454 6.161 -7.997 -4.009 1.00 15.00 C ATOM 383 OE1 GLU A 454 6.694 -8.753 -4.846 1.00 15.00 O ATOM 384 OE2 GLU A 454 6.079 -8.287 -2.796 1.00 15.00 O1- ATOM 0 H GLU A 454 1.278 -6.809 -4.598 1.00 15.00 H new ATOM 0 HA GLU A 454 3.566 -8.372 -3.642 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.180 -7.455 -5.895 1.00 15.00 H new ATOM 0 HB3 GLU A 454 3.804 -5.842 -5.321 1.00 15.00 H new ATOM 0 HG2 GLU A 454 6.223 -6.268 -5.268 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.597 -5.962 -3.660 1.00 15.00 H new ATOM 391 N SER A 455 3.936 -6.688 -1.817 1.00 15.00 N ATOM 392 CA SER A 455 4.014 -5.815 -0.667 1.00 15.00 C ATOM 393 C SER A 455 5.158 -4.824 -0.850 1.00 15.00 C ATOM 394 O SER A 455 6.329 -5.205 -0.830 1.00 15.00 O ATOM 395 CB SER A 455 4.221 -6.647 0.599 1.00 15.00 C ATOM 396 OG SER A 455 5.277 -7.580 0.422 1.00 15.00 O ATOM 0 H SER A 455 4.606 -7.457 -1.807 1.00 15.00 H new ATOM 0 HA SER A 455 3.083 -5.257 -0.569 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.447 -5.990 1.439 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.300 -7.175 0.847 1.00 15.00 H new ATOM 0 HG SER A 455 6.010 -7.155 -0.070 1.00 15.00 H new ATOM 402 N THR A 456 4.824 -3.565 -1.070 1.00 15.00 N ATOM 403 CA THR A 456 5.838 -2.545 -1.250 1.00 15.00 C ATOM 404 C THR A 456 6.031 -1.764 0.043 1.00 15.00 C ATOM 405 O THR A 456 5.073 -1.470 0.754 1.00 15.00 O ATOM 406 CB THR A 456 5.490 -1.587 -2.416 1.00 15.00 C ATOM 407 OG1 THR A 456 6.538 -0.622 -2.591 1.00 15.00 O ATOM 408 CG2 THR A 456 4.166 -0.870 -2.178 1.00 15.00 C ATOM 0 H THR A 456 3.863 -3.227 -1.128 1.00 15.00 H new ATOM 0 HA THR A 456 6.771 -3.046 -1.508 1.00 15.00 H new ATOM 0 HB THR A 456 5.391 -2.189 -3.320 1.00 15.00 H new ATOM 0 HG1 THR A 456 6.310 -0.022 -3.331 1.00 15.00 H new ATOM 0 HG21 THR A 456 3.955 -0.207 -3.017 1.00 15.00 H new ATOM 0 HG22 THR A 456 3.366 -1.604 -2.086 1.00 15.00 H new ATOM 0 HG23 THR A 456 4.229 -0.285 -1.260 1.00 15.00 H new ATOM 416 N PHE A 457 7.278 -1.454 0.361 1.00 15.00 N ATOM 417 CA PHE A 457 7.592 -0.739 1.587 1.00 15.00 C ATOM 418 C PHE A 457 7.657 0.759 1.321 1.00 15.00 C ATOM 419 O PHE A 457 7.924 1.557 2.221 1.00 15.00 O ATOM 420 CB PHE A 457 8.909 -1.248 2.179 1.00 15.00 C ATOM 421 CG PHE A 457 8.871 -2.705 2.558 1.00 15.00 C ATOM 422 CD1 PHE A 457 9.185 -3.683 1.627 1.00 15.00 C ATOM 423 CD2 PHE A 457 8.521 -3.096 3.843 1.00 15.00 C ATOM 424 CE1 PHE A 457 9.155 -5.022 1.968 1.00 15.00 C ATOM 425 CE2 PHE A 457 8.487 -4.437 4.187 1.00 15.00 C ATOM 426 CZ PHE A 457 8.805 -5.399 3.247 1.00 15.00 C ATOM 0 H PHE A 457 8.089 -1.686 -0.213 1.00 15.00 H new ATOM 0 HA PHE A 457 6.801 -0.923 2.314 1.00 15.00 H new ATOM 0 HB2 PHE A 457 9.709 -1.089 1.456 1.00 15.00 H new ATOM 0 HB3 PHE A 457 9.155 -0.657 3.061 1.00 15.00 H new ATOM 0 HD1 PHE A 457 9.457 -3.395 0.622 1.00 15.00 H new ATOM 0 HD2 PHE A 457 8.273 -2.348 4.581 1.00 15.00 H new ATOM 0 HE1 PHE A 457 9.406 -5.773 1.233 1.00 15.00 H new ATOM 0 HE2 PHE A 457 8.212 -4.731 5.189 1.00 15.00 H new ATOM 0 HZ PHE A 457 8.779 -6.445 3.514 1.00 15.00 H new ATOM 436 N GLU A 458 7.404 1.134 0.073 1.00 15.00 N ATOM 437 CA GLU A 458 7.311 2.534 -0.298 1.00 15.00 C ATOM 438 C GLU A 458 5.859 2.979 -0.213 1.00 15.00 C ATOM 439 O GLU A 458 4.968 2.300 -0.721 1.00 15.00 O ATOM 440 CB GLU A 458 7.847 2.774 -1.712 1.00 15.00 C ATOM 441 CG GLU A 458 9.359 2.640 -1.843 1.00 15.00 C ATOM 442 CD GLU A 458 9.842 1.209 -1.756 1.00 15.00 C ATOM 443 OE1 GLU A 458 9.550 0.422 -2.683 1.00 15.00 O1- ATOM 444 OE2 GLU A 458 10.518 0.864 -0.767 1.00 15.00 O ATOM 0 H GLU A 458 7.260 0.483 -0.699 1.00 15.00 H new ATOM 0 HA GLU A 458 7.921 3.116 0.393 1.00 15.00 H new ATOM 0 HB2 GLU A 458 7.372 2.068 -2.392 1.00 15.00 H new ATOM 0 HB3 GLU A 458 7.554 3.773 -2.034 1.00 15.00 H new ATOM 0 HG2 GLU A 458 9.673 3.065 -2.796 1.00 15.00 H new ATOM 0 HG3 GLU A 458 9.838 3.226 -1.059 1.00 15.00 H new ATOM 451 N LYS A 459 5.632 4.119 0.418 1.00 15.00 N ATOM 452 CA LYS A 459 4.284 4.624 0.642 1.00 15.00 C ATOM 453 C LYS A 459 3.722 5.246 -0.636 1.00 15.00 C ATOM 454 O LYS A 459 4.195 6.296 -1.080 1.00 15.00 O ATOM 455 CB LYS A 459 4.306 5.643 1.779 1.00 15.00 C ATOM 456 CG LYS A 459 4.788 5.050 3.094 1.00 15.00 C ATOM 457 CD LYS A 459 5.196 6.123 4.088 1.00 15.00 C ATOM 458 CE LYS A 459 5.676 5.505 5.390 1.00 15.00 C ATOM 459 NZ LYS A 459 6.290 6.510 6.296 1.00 15.00 N1+ ATOM 0 H LYS A 459 6.370 4.718 0.788 1.00 15.00 H new ATOM 0 HA LYS A 459 3.633 3.796 0.921 1.00 15.00 H new ATOM 0 HB2 LYS A 459 4.953 6.475 1.502 1.00 15.00 H new ATOM 0 HB3 LYS A 459 3.304 6.050 1.915 1.00 15.00 H new ATOM 0 HG2 LYS A 459 3.997 4.437 3.527 1.00 15.00 H new ATOM 0 HG3 LYS A 459 5.635 4.390 2.905 1.00 15.00 H new ATOM 0 HD2 LYS A 459 5.987 6.738 3.660 1.00 15.00 H new ATOM 0 HD3 LYS A 459 4.351 6.782 4.284 1.00 15.00 H new ATOM 0 HE2 LYS A 459 4.836 5.028 5.895 1.00 15.00 H new ATOM 0 HE3 LYS A 459 6.403 4.722 5.172 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 6.603 6.043 7.171 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 7.108 6.948 5.826 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 5.590 7.244 6.526 1.00 15.00 H new ATOM 473 N PRO A 460 2.719 4.595 -1.256 1.00 15.00 N ATOM 474 CA PRO A 460 2.113 5.066 -2.507 1.00 15.00 C ATOM 475 C PRO A 460 1.447 6.428 -2.356 1.00 15.00 C ATOM 476 O PRO A 460 0.585 6.621 -1.499 1.00 15.00 O ATOM 477 CB PRO A 460 1.060 4.001 -2.833 1.00 15.00 C ATOM 478 CG PRO A 460 1.445 2.809 -2.029 1.00 15.00 C ATOM 479 CD PRO A 460 2.100 3.342 -0.791 1.00 15.00 C ATOM 0 HA PRO A 460 2.864 5.195 -3.287 1.00 15.00 H new ATOM 0 HB2 PRO A 460 0.059 4.345 -2.572 1.00 15.00 H new ATOM 0 HB3 PRO A 460 1.050 3.771 -3.898 1.00 15.00 H new ATOM 0 HG2 PRO A 460 0.571 2.207 -1.780 1.00 15.00 H new ATOM 0 HG3 PRO A 460 2.127 2.166 -2.586 1.00 15.00 H new ATOM 0 HD2 PRO A 460 1.376 3.521 0.004 1.00 15.00 H new ATOM 0 HD3 PRO A 460 2.842 2.648 -0.396 1.00 15.00 H new ATOM 487 N GLN A 461 1.835 7.363 -3.212 1.00 15.00 N ATOM 488 CA GLN A 461 1.299 8.716 -3.160 1.00 15.00 C ATOM 489 C GLN A 461 -0.014 8.803 -3.938 1.00 15.00 C ATOM 490 O GLN A 461 -0.682 9.835 -3.941 1.00 15.00 O ATOM 491 CB GLN A 461 2.324 9.707 -3.727 1.00 15.00 C ATOM 492 CG GLN A 461 1.986 11.163 -3.454 1.00 15.00 C ATOM 493 CD GLN A 461 1.921 11.465 -1.971 1.00 15.00 C ATOM 494 OE1 GLN A 461 0.871 11.329 -1.344 1.00 15.00 O ATOM 495 NE2 GLN A 461 3.035 11.889 -1.403 1.00 15.00 N ATOM 0 H GLN A 461 2.520 7.209 -3.952 1.00 15.00 H new ATOM 0 HA GLN A 461 1.097 8.973 -2.120 1.00 15.00 H new ATOM 0 HB2 GLN A 461 3.303 9.485 -3.302 1.00 15.00 H new ATOM 0 HB3 GLN A 461 2.402 9.558 -4.804 1.00 15.00 H new ATOM 0 HG2 GLN A 461 2.735 11.802 -3.921 1.00 15.00 H new ATOM 0 HG3 GLN A 461 1.028 11.405 -3.915 1.00 15.00 H new ATOM 0 HE21 GLN A 461 3.885 11.988 -1.958 1.00 15.00 H new ATOM 0 HE22 GLN A 461 3.046 12.117 -0.409 1.00 15.00 H new ATOM 504 N GLU A 462 -0.387 7.710 -4.591 1.00 15.00 N ATOM 505 CA GLU A 462 -1.597 7.685 -5.403 1.00 15.00 C ATOM 506 C GLU A 462 -2.771 7.093 -4.643 1.00 15.00 C ATOM 507 O GLU A 462 -3.875 7.010 -5.177 1.00 15.00 O ATOM 508 CB GLU A 462 -1.367 6.893 -6.689 1.00 15.00 C ATOM 509 CG GLU A 462 -0.809 5.494 -6.477 1.00 15.00 C ATOM 510 CD GLU A 462 -0.578 4.772 -7.786 1.00 15.00 C ATOM 511 OE1 GLU A 462 0.495 4.957 -8.388 1.00 15.00 O ATOM 512 OE2 GLU A 462 -1.473 4.022 -8.219 1.00 15.00 O1- ATOM 0 H GLU A 462 0.130 6.831 -4.575 1.00 15.00 H new ATOM 0 HA GLU A 462 -1.838 8.718 -5.653 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.312 6.816 -7.227 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -0.682 7.451 -7.327 1.00 15.00 H new ATOM 0 HG2 GLU A 462 0.130 5.558 -5.927 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.500 4.917 -5.862 1.00 15.00 H new ATOM 519 N LEU A 463 -2.532 6.693 -3.401 1.00 15.00 N ATOM 520 CA LEU A 463 -3.563 6.062 -2.583 1.00 15.00 C ATOM 521 C LEU A 463 -4.739 7.019 -2.386 1.00 15.00 C ATOM 522 O LEU A 463 -4.575 8.118 -1.848 1.00 15.00 O ATOM 523 CB LEU A 463 -2.955 5.629 -1.238 1.00 15.00 C ATOM 524 CG LEU A 463 -3.795 4.667 -0.382 1.00 15.00 C ATOM 525 CD1 LEU A 463 -2.938 4.077 0.724 1.00 15.00 C ATOM 526 CD2 LEU A 463 -5.008 5.359 0.227 1.00 15.00 C ATOM 0 H LEU A 463 -1.630 6.794 -2.935 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.943 5.174 -3.089 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.992 5.158 -1.435 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.757 6.525 -0.649 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.156 3.874 -1.037 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -3.540 3.396 1.327 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -2.103 3.531 0.285 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -2.556 4.879 1.355 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -5.574 4.643 0.824 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.677 6.180 0.863 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -5.642 5.749 -0.569 1.00 15.00 H new ATOM 538 N LYS A 464 -5.913 6.599 -2.834 1.00 15.00 N ATOM 539 CA LYS A 464 -7.115 7.418 -2.754 1.00 15.00 C ATOM 540 C LYS A 464 -8.350 6.561 -3.021 1.00 15.00 C ATOM 541 O LYS A 464 -9.142 6.349 -2.081 1.00 15.00 O ATOM 542 CB LYS A 464 -7.042 8.599 -3.738 1.00 15.00 C ATOM 543 CG LYS A 464 -6.774 8.197 -5.181 1.00 15.00 C ATOM 544 CD LYS A 464 -6.638 9.410 -6.080 1.00 15.00 C ATOM 545 CE LYS A 464 -6.382 9.002 -7.522 1.00 15.00 C ATOM 546 NZ LYS A 464 -5.104 8.254 -7.682 1.00 15.00 N1+ ATOM 547 OXT LYS A 464 -8.506 6.076 -4.156 1.00 15.00 O ATOM 0 H LYS A 464 -6.060 5.685 -3.262 1.00 15.00 H new ATOM 0 HA LYS A 464 -7.189 7.830 -1.748 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -7.981 9.151 -3.695 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -6.257 9.281 -3.411 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -5.862 7.602 -5.231 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -7.586 7.566 -5.541 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -7.546 10.010 -6.025 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -5.820 10.038 -5.727 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -7.208 8.384 -7.874 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -6.360 9.892 -8.150 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -4.689 8.471 -8.611 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -4.441 8.535 -6.932 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -5.289 7.233 -7.615 1.00 15.00 H new TER 561 LYS A 464