USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=16 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 447 TYR OH : rot -125:sc= 1.01 USER MOD Set 1.2: A 459 LYS NZ :NH3+ 166:sc= 0.00713 (180deg=-0.195) USER MOD Set 2.1: A 449 ASN : amide:sc= -0.32! C(o=0.88!,f=-11!) USER MOD Set 2.2: A 452 THR OG1 : rot 169:sc= 1.2 USER MOD Set 3.1: A 439 LYS NZ :NH3+ -150:sc= -1.71! (180deg=-3.75!) USER MOD Set 3.2: A 445 THR OG1 : rot 180:sc= -0.189 USER MOD Set 4.1: A 436 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 450 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 430 THR OG1 : rot -42:sc= 0.947 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 141:sc= 0.522 USER MOD Single : A 444 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.589) USER MOD Single : A 446 TYR OH : rot 97:sc=0.000407 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 455 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 456 TYR OH : rot 135:sc= 0.0481 USER MOD Single : A 461 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 464 LYS NZ :NH3+ -152:sc= 0.724 (180deg=0.195) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 5.133 20.780 -1.951 1.00 15.00 N ATOM 2 CA GLY A 428 6.295 20.149 -2.622 1.00 15.00 C ATOM 3 C GLY A 428 6.361 18.658 -2.366 1.00 15.00 C ATOM 4 O GLY A 428 7.445 18.097 -2.205 1.00 15.00 O ATOM 0 HA2 GLY A 428 6.235 20.330 -3.695 1.00 15.00 H new ATOM 0 HA3 GLY A 428 7.214 20.618 -2.271 1.00 15.00 H new ATOM 10 N ALA A 429 5.203 18.013 -2.329 1.00 15.00 N ATOM 11 CA ALA A 429 5.132 16.587 -2.058 1.00 15.00 C ATOM 12 C ALA A 429 3.867 15.995 -2.659 1.00 15.00 C ATOM 13 O ALA A 429 2.758 16.324 -2.238 1.00 15.00 O ATOM 14 CB ALA A 429 5.182 16.328 -0.559 1.00 15.00 C ATOM 0 H ALA A 429 4.298 18.458 -2.484 1.00 15.00 H new ATOM 0 HA ALA A 429 5.992 16.103 -2.520 1.00 15.00 H new ATOM 0 HB1 ALA A 429 5.128 15.255 -0.373 1.00 15.00 H new ATOM 0 HB2 ALA A 429 6.115 16.720 -0.153 1.00 15.00 H new ATOM 0 HB3 ALA A 429 4.340 16.823 -0.076 1.00 15.00 H new ATOM 20 N THR A 430 4.035 15.144 -3.657 1.00 15.00 N ATOM 21 CA THR A 430 2.904 14.511 -4.312 1.00 15.00 C ATOM 22 C THR A 430 3.298 13.136 -4.855 1.00 15.00 C ATOM 23 O THR A 430 2.618 12.566 -5.709 1.00 15.00 O ATOM 24 CB THR A 430 2.361 15.404 -5.452 1.00 15.00 C ATOM 25 OG1 THR A 430 1.210 14.804 -6.060 1.00 15.00 O ATOM 26 CG2 THR A 430 3.427 15.656 -6.509 1.00 15.00 C ATOM 0 H THR A 430 4.945 14.876 -4.031 1.00 15.00 H new ATOM 0 HA THR A 430 2.114 14.379 -3.573 1.00 15.00 H new ATOM 0 HB THR A 430 2.075 16.360 -5.013 1.00 15.00 H new ATOM 0 HG1 THR A 430 1.363 13.842 -6.172 1.00 15.00 H new ATOM 0 HG21 THR A 430 3.016 16.287 -7.297 1.00 15.00 H new ATOM 0 HG22 THR A 430 4.281 16.156 -6.052 1.00 15.00 H new ATOM 0 HG23 THR A 430 3.749 14.706 -6.935 1.00 15.00 H new ATOM 34 N ALA A 431 4.383 12.593 -4.322 1.00 15.00 N ATOM 35 CA ALA A 431 4.901 11.314 -4.782 1.00 15.00 C ATOM 36 C ALA A 431 5.236 10.419 -3.595 1.00 15.00 C ATOM 37 O ALA A 431 5.507 10.910 -2.498 1.00 15.00 O ATOM 38 CB ALA A 431 6.130 11.520 -5.659 1.00 15.00 C ATOM 0 H ALA A 431 4.922 13.020 -3.569 1.00 15.00 H new ATOM 0 HA ALA A 431 4.132 10.824 -5.378 1.00 15.00 H new ATOM 0 HB1 ALA A 431 6.504 10.553 -5.994 1.00 15.00 H new ATOM 0 HB2 ALA A 431 5.862 12.125 -6.525 1.00 15.00 H new ATOM 0 HB3 ALA A 431 6.905 12.030 -5.086 1.00 15.00 H new ATOM 44 N VAL A 432 5.212 9.113 -3.811 1.00 15.00 N ATOM 45 CA VAL A 432 5.486 8.164 -2.746 1.00 15.00 C ATOM 46 C VAL A 432 6.166 6.908 -3.292 1.00 15.00 C ATOM 47 O VAL A 432 5.802 6.398 -4.353 1.00 15.00 O ATOM 48 CB VAL A 432 4.189 7.787 -1.984 1.00 15.00 C ATOM 49 CG1 VAL A 432 3.176 7.123 -2.905 1.00 15.00 C ATOM 50 CG2 VAL A 432 4.496 6.899 -0.788 1.00 15.00 C ATOM 0 H VAL A 432 5.005 8.687 -4.715 1.00 15.00 H new ATOM 0 HA VAL A 432 6.166 8.646 -2.044 1.00 15.00 H new ATOM 0 HB VAL A 432 3.746 8.712 -1.615 1.00 15.00 H new ATOM 0 HG11 VAL A 432 2.279 6.872 -2.339 1.00 15.00 H new ATOM 0 HG12 VAL A 432 2.915 7.807 -3.713 1.00 15.00 H new ATOM 0 HG13 VAL A 432 3.607 6.214 -3.324 1.00 15.00 H new ATOM 0 HG21 VAL A 432 3.569 6.650 -0.272 1.00 15.00 H new ATOM 0 HG22 VAL A 432 4.979 5.983 -1.129 1.00 15.00 H new ATOM 0 HG23 VAL A 432 5.161 7.427 -0.104 1.00 15.00 H new ATOM 60 N SER A 433 7.184 6.448 -2.581 1.00 15.00 N ATOM 61 CA SER A 433 7.883 5.224 -2.937 1.00 15.00 C ATOM 62 C SER A 433 7.884 4.263 -1.749 1.00 15.00 C ATOM 63 O SER A 433 8.176 3.074 -1.892 1.00 15.00 O ATOM 64 CB SER A 433 9.316 5.539 -3.388 1.00 15.00 C ATOM 65 OG SER A 433 9.998 4.368 -3.813 1.00 15.00 O ATOM 0 H SER A 433 7.547 6.909 -1.747 1.00 15.00 H new ATOM 0 HA SER A 433 7.365 4.746 -3.769 1.00 15.00 H new ATOM 0 HB2 SER A 433 9.291 6.263 -4.203 1.00 15.00 H new ATOM 0 HB3 SER A 433 9.863 6.002 -2.567 1.00 15.00 H new ATOM 0 HG SER A 433 10.907 4.603 -4.095 1.00 15.00 H new ATOM 71 N GLU A 434 7.560 4.789 -0.570 1.00 15.00 N ATOM 72 CA GLU A 434 7.455 3.972 0.635 1.00 15.00 C ATOM 73 C GLU A 434 6.259 3.036 0.536 1.00 15.00 C ATOM 74 O GLU A 434 6.196 2.009 1.209 1.00 15.00 O ATOM 75 CB GLU A 434 7.328 4.861 1.872 1.00 15.00 C ATOM 76 CG GLU A 434 8.567 5.695 2.150 1.00 15.00 C ATOM 77 CD GLU A 434 8.277 6.892 3.029 1.00 15.00 C ATOM 78 OE1 GLU A 434 8.131 6.721 4.256 1.00 15.00 O ATOM 79 OE2 GLU A 434 8.183 8.016 2.488 1.00 15.00 O ATOM 0 H GLU A 434 7.365 5.780 -0.424 1.00 15.00 H new ATOM 0 HA GLU A 434 8.361 3.374 0.728 1.00 15.00 H new ATOM 0 HB2 GLU A 434 6.473 5.526 1.746 1.00 15.00 H new ATOM 0 HB3 GLU A 434 7.119 4.235 2.739 1.00 15.00 H new ATOM 0 HG2 GLU A 434 9.321 5.071 2.630 1.00 15.00 H new ATOM 0 HG3 GLU A 434 8.990 6.036 1.205 1.00 15.00 H new ATOM 86 N TRP A 435 5.303 3.422 -0.294 1.00 15.00 N ATOM 87 CA TRP A 435 4.136 2.605 -0.564 1.00 15.00 C ATOM 88 C TRP A 435 4.171 2.113 -2.002 1.00 15.00 C ATOM 89 O TRP A 435 4.163 2.908 -2.939 1.00 15.00 O ATOM 90 CB TRP A 435 2.848 3.393 -0.317 1.00 15.00 C ATOM 91 CG TRP A 435 2.525 3.589 1.134 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.671 4.730 1.868 1.00 15.00 C ATOM 93 CD2 TRP A 435 1.993 2.604 2.023 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.261 4.511 3.162 1.00 15.00 N ATOM 95 CE2 TRP A 435 1.839 3.214 3.281 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.633 1.264 1.876 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.335 2.529 4.384 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.133 0.584 2.970 1.00 15.00 C ATOM 99 CH2 TRP A 435 0.989 1.217 4.209 1.00 15.00 C ATOM 0 H TRP A 435 5.316 4.309 -0.797 1.00 15.00 H new ATOM 0 HA TRP A 435 4.152 1.751 0.113 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.933 4.369 -0.795 1.00 15.00 H new ATOM 0 HB3 TRP A 435 2.018 2.874 -0.797 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.052 5.667 1.489 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.270 5.203 3.912 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.743 0.767 0.924 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.222 3.015 5.342 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.849 -0.453 2.867 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.596 0.658 5.045 1.00 15.00 H new ATOM 110 N THR A 436 4.232 0.806 -2.171 1.00 15.00 N ATOM 111 CA THR A 436 4.247 0.211 -3.492 1.00 15.00 C ATOM 112 C THR A 436 3.023 -0.680 -3.678 1.00 15.00 C ATOM 113 O THR A 436 2.896 -1.719 -3.026 1.00 15.00 O ATOM 114 CB THR A 436 5.532 -0.612 -3.704 1.00 15.00 C ATOM 115 OG1 THR A 436 6.668 0.160 -3.289 1.00 15.00 O ATOM 116 CG2 THR A 436 5.693 -1.007 -5.165 1.00 15.00 C ATOM 0 H THR A 436 4.272 0.134 -1.405 1.00 15.00 H new ATOM 0 HA THR A 436 4.223 1.012 -4.230 1.00 15.00 H new ATOM 0 HB THR A 436 5.461 -1.521 -3.107 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.486 -0.364 -3.422 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.608 -1.587 -5.286 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.838 -1.608 -5.476 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.748 -0.109 -5.781 1.00 15.00 H new ATOM 124 N GLU A 437 2.106 -0.255 -4.537 1.00 15.00 N ATOM 125 CA GLU A 437 0.896 -1.021 -4.787 1.00 15.00 C ATOM 126 C GLU A 437 1.088 -1.968 -5.963 1.00 15.00 C ATOM 127 O GLU A 437 1.491 -1.561 -7.052 1.00 15.00 O ATOM 128 CB GLU A 437 -0.306 -0.100 -5.030 1.00 15.00 C ATOM 129 CG GLU A 437 -0.122 0.906 -6.156 1.00 15.00 C ATOM 130 CD GLU A 437 -1.434 1.522 -6.599 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.941 2.430 -5.906 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.968 1.096 -7.648 1.00 15.00 O ATOM 0 H GLU A 437 2.178 0.612 -5.069 1.00 15.00 H new ATOM 0 HA GLU A 437 0.691 -1.614 -3.896 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.178 -0.715 -5.250 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.522 0.442 -4.109 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.555 1.695 -5.828 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.351 0.414 -7.006 1.00 15.00 H new ATOM 139 N TYR A 438 0.803 -3.235 -5.725 1.00 15.00 N ATOM 140 CA TYR A 438 0.906 -4.246 -6.761 1.00 15.00 C ATOM 141 C TYR A 438 -0.475 -4.624 -7.275 1.00 15.00 C ATOM 142 O TYR A 438 -1.357 -5.010 -6.502 1.00 15.00 O ATOM 143 CB TYR A 438 1.626 -5.484 -6.231 1.00 15.00 C ATOM 144 CG TYR A 438 3.095 -5.265 -5.950 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.530 -4.798 -4.716 1.00 15.00 C ATOM 146 CD2 TYR A 438 4.049 -5.532 -6.922 1.00 15.00 C ATOM 147 CE1 TYR A 438 4.874 -4.605 -4.461 1.00 15.00 C ATOM 148 CE2 TYR A 438 5.393 -5.340 -6.675 1.00 15.00 C ATOM 149 CZ TYR A 438 5.801 -4.877 -5.445 1.00 15.00 C ATOM 150 OH TYR A 438 7.140 -4.689 -5.196 1.00 15.00 O ATOM 0 H TYR A 438 0.497 -3.590 -4.819 1.00 15.00 H new ATOM 0 HA TYR A 438 1.485 -3.832 -7.586 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.136 -5.813 -5.315 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.521 -6.291 -6.956 1.00 15.00 H new ATOM 0 HD1 TYR A 438 2.806 -4.582 -3.944 1.00 15.00 H new ATOM 0 HD2 TYR A 438 3.734 -5.896 -7.889 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.197 -4.243 -3.496 1.00 15.00 H new ATOM 0 HE2 TYR A 438 6.121 -5.552 -7.444 1.00 15.00 H new ATOM 0 HH TYR A 438 7.658 -4.928 -5.993 1.00 15.00 H new ATOM 160 N LYS A 439 -0.655 -4.504 -8.578 1.00 15.00 N ATOM 161 CA LYS A 439 -1.920 -4.827 -9.214 1.00 15.00 C ATOM 162 C LYS A 439 -1.897 -6.262 -9.729 1.00 15.00 C ATOM 163 O LYS A 439 -1.081 -6.608 -10.582 1.00 15.00 O ATOM 164 CB LYS A 439 -2.179 -3.856 -10.372 1.00 15.00 C ATOM 165 CG LYS A 439 -3.561 -3.980 -10.991 1.00 15.00 C ATOM 166 CD LYS A 439 -4.653 -3.439 -10.075 1.00 15.00 C ATOM 167 CE LYS A 439 -4.738 -1.911 -10.104 1.00 15.00 C ATOM 168 NZ LYS A 439 -3.580 -1.245 -9.438 1.00 15.00 N ATOM 0 H LYS A 439 0.067 -4.182 -9.222 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.722 -4.732 -8.482 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.044 -2.836 -10.013 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.430 -4.023 -11.146 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.583 -3.440 -11.938 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.764 -5.027 -11.216 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.614 -3.859 -10.373 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.463 -3.770 -9.054 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.795 -1.576 -11.140 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -5.660 -1.595 -9.616 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -3.886 -0.336 -9.037 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -3.219 -1.855 -8.677 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -2.827 -1.079 -10.136 1.00 15.00 H new ATOM 182 N THR A 440 -2.777 -7.097 -9.203 1.00 15.00 N ATOM 183 CA THR A 440 -2.845 -8.489 -9.615 1.00 15.00 C ATOM 184 C THR A 440 -3.805 -8.662 -10.784 1.00 15.00 C ATOM 185 O THR A 440 -4.762 -7.893 -10.940 1.00 15.00 O ATOM 186 CB THR A 440 -3.269 -9.417 -8.462 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.623 -9.151 -8.086 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.361 -9.234 -7.253 1.00 15.00 C ATOM 0 H THR A 440 -3.456 -6.835 -8.488 1.00 15.00 H new ATOM 0 HA THR A 440 -1.839 -8.772 -9.925 1.00 15.00 H new ATOM 0 HB THR A 440 -3.184 -10.446 -8.811 1.00 15.00 H new ATOM 0 HG1 THR A 440 -5.079 -9.995 -7.887 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.682 -9.901 -6.453 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.333 -9.469 -7.531 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.417 -8.201 -6.909 1.00 15.00 H new ATOM 196 N ALA A 441 -3.521 -9.656 -11.620 1.00 15.00 N ATOM 197 CA ALA A 441 -4.323 -9.937 -12.804 1.00 15.00 C ATOM 198 C ALA A 441 -5.785 -10.224 -12.455 1.00 15.00 C ATOM 199 O ALA A 441 -6.686 -9.930 -13.241 1.00 15.00 O ATOM 200 CB ALA A 441 -3.725 -11.114 -13.564 1.00 15.00 C ATOM 0 H ALA A 441 -2.730 -10.288 -11.495 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.308 -9.047 -13.432 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.328 -11.320 -14.448 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.707 -10.871 -13.868 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.712 -11.994 -12.921 1.00 15.00 H new ATOM 206 N ASP A 442 -6.020 -10.783 -11.274 1.00 15.00 N ATOM 207 CA ASP A 442 -7.375 -11.145 -10.860 1.00 15.00 C ATOM 208 C ASP A 442 -8.118 -9.942 -10.271 1.00 15.00 C ATOM 209 O ASP A 442 -9.272 -10.060 -9.855 1.00 15.00 O ATOM 210 CB ASP A 442 -7.353 -12.306 -9.859 1.00 15.00 C ATOM 211 CG ASP A 442 -6.849 -11.909 -8.485 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.645 -11.598 -8.350 1.00 15.00 O ATOM 213 OD2 ASP A 442 -7.652 -11.929 -7.531 1.00 15.00 O ATOM 0 H ASP A 442 -5.296 -10.996 -10.588 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.913 -11.470 -11.750 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -8.360 -12.713 -9.765 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.722 -13.103 -10.253 1.00 15.00 H new ATOM 218 N GLY A 443 -7.467 -8.784 -10.262 1.00 15.00 N ATOM 219 CA GLY A 443 -8.133 -7.560 -9.850 1.00 15.00 C ATOM 220 C GLY A 443 -8.019 -7.273 -8.364 1.00 15.00 C ATOM 221 O GLY A 443 -9.009 -6.943 -7.710 1.00 15.00 O ATOM 0 H GLY A 443 -6.490 -8.670 -10.532 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.711 -6.723 -10.406 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.187 -7.622 -10.119 1.00 15.00 H new ATOM 225 N LYS A 444 -6.816 -7.403 -7.826 1.00 15.00 N ATOM 226 CA LYS A 444 -6.545 -7.031 -6.444 1.00 15.00 C ATOM 227 C LYS A 444 -5.374 -6.062 -6.387 1.00 15.00 C ATOM 228 O LYS A 444 -4.421 -6.174 -7.160 1.00 15.00 O ATOM 229 CB LYS A 444 -6.246 -8.267 -5.593 1.00 15.00 C ATOM 230 CG LYS A 444 -7.465 -9.132 -5.329 1.00 15.00 C ATOM 231 CD LYS A 444 -7.099 -10.388 -4.558 1.00 15.00 C ATOM 232 CE LYS A 444 -8.330 -11.215 -4.233 1.00 15.00 C ATOM 233 NZ LYS A 444 -9.164 -11.458 -5.438 1.00 15.00 N ATOM 0 H LYS A 444 -6.006 -7.766 -8.329 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.433 -6.545 -6.039 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.486 -8.867 -6.094 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.824 -7.948 -4.640 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.203 -8.560 -4.766 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.929 -9.407 -6.276 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.401 -10.986 -5.144 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.588 -10.115 -3.635 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -8.024 -12.169 -3.804 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -8.924 -10.701 -3.477 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -9.866 -12.197 -5.231 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -9.654 -10.580 -5.704 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -8.557 -11.767 -6.224 1.00 15.00 H new ATOM 247 N THR A 445 -5.447 -5.113 -5.473 1.00 15.00 N ATOM 248 CA THR A 445 -4.402 -4.121 -5.326 1.00 15.00 C ATOM 249 C THR A 445 -3.933 -4.052 -3.877 1.00 15.00 C ATOM 250 O THR A 445 -4.565 -3.405 -3.042 1.00 15.00 O ATOM 251 CB THR A 445 -4.899 -2.734 -5.774 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.500 -2.836 -7.072 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.757 -1.734 -5.817 1.00 15.00 C ATOM 0 H THR A 445 -6.223 -5.009 -4.819 1.00 15.00 H new ATOM 0 HA THR A 445 -3.566 -4.417 -5.959 1.00 15.00 H new ATOM 0 HB THR A 445 -5.636 -2.382 -5.052 1.00 15.00 H new ATOM 0 HG1 THR A 445 -5.818 -1.953 -7.356 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.135 -0.763 -6.136 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.316 -1.643 -4.825 1.00 15.00 H new ATOM 0 HG23 THR A 445 -2.999 -2.077 -6.521 1.00 15.00 H new ATOM 261 N TYR A 446 -2.844 -4.742 -3.574 1.00 15.00 N ATOM 262 CA TYR A 446 -2.320 -4.739 -2.218 1.00 15.00 C ATOM 263 C TYR A 446 -1.179 -3.740 -2.084 1.00 15.00 C ATOM 264 O TYR A 446 -0.265 -3.693 -2.914 1.00 15.00 O ATOM 265 CB TYR A 446 -1.890 -6.150 -1.773 1.00 15.00 C ATOM 266 CG TYR A 446 -0.735 -6.766 -2.539 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.946 -7.459 -3.725 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.564 -6.684 -2.052 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.104 -8.048 -4.405 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.619 -7.265 -2.729 1.00 15.00 C ATOM 271 CZ TYR A 446 1.384 -7.950 -3.902 1.00 15.00 C ATOM 272 OH TYR A 446 2.435 -8.538 -4.575 1.00 15.00 O ATOM 0 H TYR A 446 -2.312 -5.304 -4.239 1.00 15.00 H new ATOM 0 HA TYR A 446 -3.122 -4.425 -1.550 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.620 -6.110 -0.718 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.751 -6.814 -1.857 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.947 -7.539 -4.122 1.00 15.00 H new ATOM 0 HD2 TYR A 446 0.752 -6.157 -1.128 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.078 -8.582 -5.326 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.623 -7.183 -2.341 1.00 15.00 H new ATOM 0 HH TYR A 446 2.886 -7.866 -5.128 1.00 15.00 H new ATOM 282 N TYR A 447 -1.254 -2.941 -1.036 1.00 15.00 N ATOM 283 CA TYR A 447 -0.276 -1.901 -0.771 1.00 15.00 C ATOM 284 C TYR A 447 0.840 -2.425 0.120 1.00 15.00 C ATOM 285 O TYR A 447 0.606 -2.798 1.269 1.00 15.00 O ATOM 286 CB TYR A 447 -0.961 -0.705 -0.109 1.00 15.00 C ATOM 287 CG TYR A 447 -1.701 0.190 -1.079 1.00 15.00 C ATOM 288 CD1 TYR A 447 -3.036 -0.036 -1.389 1.00 15.00 C ATOM 289 CD2 TYR A 447 -1.057 1.263 -1.685 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.709 0.781 -2.277 1.00 15.00 C ATOM 291 CE2 TYR A 447 -1.725 2.083 -2.573 1.00 15.00 C ATOM 292 CZ TYR A 447 -3.048 1.839 -2.867 1.00 15.00 C ATOM 293 OH TYR A 447 -3.713 2.657 -3.752 1.00 15.00 O ATOM 0 H TYR A 447 -1.999 -2.995 -0.341 1.00 15.00 H new ATOM 0 HA TYR A 447 0.163 -1.586 -1.718 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.662 -1.070 0.641 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.211 -0.114 0.416 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.556 -0.863 -0.929 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -0.019 1.458 -1.458 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -4.747 0.593 -2.508 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -1.211 2.913 -3.035 1.00 15.00 H new ATOM 0 HH TYR A 447 -3.225 2.686 -4.601 1.00 15.00 H new ATOM 303 N TYR A 448 2.049 -2.472 -0.414 1.00 15.00 N ATOM 304 CA TYR A 448 3.191 -2.932 0.354 1.00 15.00 C ATOM 305 C TYR A 448 4.055 -1.752 0.772 1.00 15.00 C ATOM 306 O TYR A 448 4.567 -1.011 -0.069 1.00 15.00 O ATOM 307 CB TYR A 448 4.015 -3.940 -0.451 1.00 15.00 C ATOM 308 CG TYR A 448 5.131 -4.581 0.345 1.00 15.00 C ATOM 309 CD1 TYR A 448 4.872 -5.195 1.563 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.437 -4.584 -0.126 1.00 15.00 C ATOM 311 CE1 TYR A 448 5.882 -5.791 2.291 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.454 -5.178 0.597 1.00 15.00 C ATOM 313 CZ TYR A 448 7.172 -5.781 1.805 1.00 15.00 C ATOM 314 OH TYR A 448 8.181 -6.380 2.525 1.00 15.00 O ATOM 0 H TYR A 448 2.264 -2.198 -1.373 1.00 15.00 H new ATOM 0 HA TYR A 448 2.824 -3.431 1.251 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.353 -4.720 -0.827 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.441 -3.438 -1.319 1.00 15.00 H new ATOM 0 HD1 TYR A 448 3.863 -5.206 1.948 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.662 -4.115 -1.072 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.663 -6.263 3.237 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.465 -5.170 0.218 1.00 15.00 H new ATOM 0 HH TYR A 448 9.028 -6.285 2.042 1.00 15.00 H new ATOM 324 N ASN A 449 4.198 -1.570 2.074 1.00 15.00 N ATOM 325 CA ASN A 449 5.014 -0.492 2.606 1.00 15.00 C ATOM 326 C ASN A 449 6.425 -0.989 2.889 1.00 15.00 C ATOM 327 O ASN A 449 6.619 -1.876 3.713 1.00 15.00 O ATOM 328 CB ASN A 449 4.386 0.067 3.884 1.00 15.00 C ATOM 329 CG ASN A 449 5.183 1.218 4.462 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.090 1.013 5.257 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.853 2.437 4.068 1.00 15.00 N ATOM 0 H ASN A 449 3.758 -2.156 2.783 1.00 15.00 H new ATOM 0 HA ASN A 449 5.065 0.305 1.864 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.371 0.402 3.671 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.310 -0.728 4.626 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.361 3.245 4.429 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.091 2.569 3.403 1.00 15.00 H new ATOM 338 N ASN A 450 7.407 -0.407 2.213 1.00 15.00 N ATOM 339 CA ASN A 450 8.799 -0.838 2.355 1.00 15.00 C ATOM 340 C ASN A 450 9.480 -0.127 3.520 1.00 15.00 C ATOM 341 O ASN A 450 10.643 -0.388 3.832 1.00 15.00 O ATOM 342 CB ASN A 450 9.584 -0.586 1.064 1.00 15.00 C ATOM 343 CG ASN A 450 9.188 -1.526 -0.061 1.00 15.00 C ATOM 344 OD1 ASN A 450 9.723 -2.627 -0.179 1.00 15.00 O ATOM 345 ND2 ASN A 450 8.262 -1.093 -0.905 1.00 15.00 N ATOM 0 H ASN A 450 7.269 0.365 1.560 1.00 15.00 H new ATOM 0 HA ASN A 450 8.790 -1.909 2.559 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.425 0.444 0.743 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.650 -0.697 1.265 1.00 15.00 H new ATOM 0 HD21 ASN A 450 7.970 -1.680 -1.686 1.00 15.00 H new ATOM 0 HD22 ASN A 450 7.842 -0.173 -0.773 1.00 15.00 H new ATOM 352 N ARG A 451 8.746 0.767 4.162 1.00 15.00 N ATOM 353 CA ARG A 451 9.272 1.521 5.292 1.00 15.00 C ATOM 354 C ARG A 451 9.200 0.690 6.573 1.00 15.00 C ATOM 355 O ARG A 451 10.089 0.757 7.420 1.00 15.00 O ATOM 356 CB ARG A 451 8.491 2.831 5.451 1.00 15.00 C ATOM 357 CG ARG A 451 8.917 3.683 6.635 1.00 15.00 C ATOM 358 CD ARG A 451 8.027 4.908 6.774 1.00 15.00 C ATOM 359 NE ARG A 451 6.628 4.548 7.011 1.00 15.00 N ATOM 360 CZ ARG A 451 5.590 5.136 6.410 1.00 15.00 C ATOM 361 NH1 ARG A 451 5.787 6.064 5.480 1.00 15.00 N ATOM 362 NH2 ARG A 451 4.352 4.776 6.723 1.00 15.00 N ATOM 0 H ARG A 451 7.781 0.990 3.920 1.00 15.00 H new ATOM 0 HA ARG A 451 10.319 1.757 5.103 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.603 3.418 4.539 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.431 2.597 5.552 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.871 3.091 7.549 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.954 3.995 6.509 1.00 15.00 H new ATOM 0 HD2 ARG A 451 8.387 5.525 7.597 1.00 15.00 H new ATOM 0 HD3 ARG A 451 8.097 5.511 5.869 1.00 15.00 H new ATOM 0 HE ARG A 451 6.433 3.801 7.677 1.00 15.00 H new ATOM 0 HH11 ARG A 451 6.736 6.332 5.220 1.00 15.00 H new ATOM 0 HH12 ARG A 451 4.989 6.508 5.026 1.00 15.00 H new ATOM 0 HH21 ARG A 451 4.193 4.051 7.422 1.00 15.00 H new ATOM 0 HH22 ARG A 451 3.559 5.225 6.264 1.00 15.00 H new ATOM 376 N THR A 452 8.123 -0.071 6.721 1.00 15.00 N ATOM 377 CA THR A 452 7.952 -0.942 7.875 1.00 15.00 C ATOM 378 C THR A 452 7.805 -2.404 7.454 1.00 15.00 C ATOM 379 O THR A 452 7.691 -3.292 8.304 1.00 15.00 O ATOM 380 CB THR A 452 6.726 -0.522 8.705 1.00 15.00 C ATOM 381 OG1 THR A 452 5.590 -0.353 7.849 1.00 15.00 O ATOM 382 CG2 THR A 452 6.995 0.772 9.455 1.00 15.00 C ATOM 0 H THR A 452 7.353 -0.102 6.053 1.00 15.00 H new ATOM 0 HA THR A 452 8.849 -0.843 8.487 1.00 15.00 H new ATOM 0 HB THR A 452 6.522 -1.309 9.432 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.781 -0.257 8.394 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.113 1.047 10.034 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.842 0.634 10.127 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.223 1.565 8.743 1.00 15.00 H new ATOM 390 N LEU A 453 7.812 -2.636 6.137 1.00 15.00 N ATOM 391 CA LEU A 453 7.702 -3.981 5.558 1.00 15.00 C ATOM 392 C LEU A 453 6.301 -4.560 5.763 1.00 15.00 C ATOM 393 O LEU A 453 6.109 -5.777 5.741 1.00 15.00 O ATOM 394 CB LEU A 453 8.761 -4.919 6.157 1.00 15.00 C ATOM 395 CG LEU A 453 10.210 -4.449 6.002 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.167 -5.476 6.584 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.536 -4.181 4.540 1.00 15.00 C ATOM 0 H LEU A 453 7.894 -1.895 5.440 1.00 15.00 H new ATOM 0 HA LEU A 453 7.879 -3.896 4.486 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.550 -5.049 7.218 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.662 -5.899 5.690 1.00 15.00 H new ATOM 0 HG LEU A 453 10.328 -3.516 6.553 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.192 -5.126 6.465 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.951 -5.615 7.643 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.045 -6.425 6.061 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.570 -3.848 4.453 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.399 -5.096 3.963 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.872 -3.407 4.155 1.00 15.00 H new ATOM 409 N GLU A 454 5.314 -3.683 5.892 1.00 15.00 N ATOM 410 CA GLU A 454 3.942 -4.106 6.156 1.00 15.00 C ATOM 411 C GLU A 454 3.128 -4.205 4.868 1.00 15.00 C ATOM 412 O GLU A 454 3.108 -3.275 4.059 1.00 15.00 O ATOM 413 CB GLU A 454 3.260 -3.130 7.113 1.00 15.00 C ATOM 414 CG GLU A 454 3.897 -3.071 8.491 1.00 15.00 C ATOM 415 CD GLU A 454 3.173 -2.118 9.419 1.00 15.00 C ATOM 416 OE1 GLU A 454 3.478 -0.906 9.394 1.00 15.00 O ATOM 417 OE2 GLU A 454 2.288 -2.574 10.172 1.00 15.00 O ATOM 0 H GLU A 454 5.437 -2.673 5.818 1.00 15.00 H new ATOM 0 HA GLU A 454 3.987 -5.095 6.612 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.277 -2.133 6.673 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.213 -3.413 7.220 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.901 -4.069 8.930 1.00 15.00 H new ATOM 0 HG3 GLU A 454 4.937 -2.761 8.395 1.00 15.00 H new ATOM 424 N SER A 455 2.448 -5.329 4.695 1.00 15.00 N ATOM 425 CA SER A 455 1.559 -5.529 3.559 1.00 15.00 C ATOM 426 C SER A 455 0.102 -5.288 3.962 1.00 15.00 C ATOM 427 O SER A 455 -0.405 -5.901 4.907 1.00 15.00 O ATOM 428 CB SER A 455 1.739 -6.945 3.003 1.00 15.00 C ATOM 429 OG SER A 455 1.889 -7.891 4.050 1.00 15.00 O ATOM 0 H SER A 455 2.496 -6.123 5.333 1.00 15.00 H new ATOM 0 HA SER A 455 1.815 -4.809 2.781 1.00 15.00 H new ATOM 0 HB2 SER A 455 0.878 -7.210 2.390 1.00 15.00 H new ATOM 0 HB3 SER A 455 2.614 -6.975 2.354 1.00 15.00 H new ATOM 0 HG SER A 455 2.000 -8.787 3.668 1.00 15.00 H new ATOM 435 N TYR A 456 -0.562 -4.391 3.249 1.00 15.00 N ATOM 436 CA TYR A 456 -1.948 -4.045 3.534 1.00 15.00 C ATOM 437 C TYR A 456 -2.850 -4.341 2.347 1.00 15.00 C ATOM 438 O TYR A 456 -2.582 -3.904 1.229 1.00 15.00 O ATOM 439 CB TYR A 456 -2.061 -2.561 3.886 1.00 15.00 C ATOM 440 CG TYR A 456 -1.647 -2.229 5.297 1.00 15.00 C ATOM 441 CD1 TYR A 456 -2.576 -2.249 6.328 1.00 15.00 C ATOM 442 CD2 TYR A 456 -0.334 -1.898 5.601 1.00 15.00 C ATOM 443 CE1 TYR A 456 -2.212 -1.941 7.622 1.00 15.00 C ATOM 444 CE2 TYR A 456 0.040 -1.592 6.893 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.901 -1.614 7.899 1.00 15.00 C ATOM 446 OH TYR A 456 -0.533 -1.304 9.186 1.00 15.00 O ATOM 0 H TYR A 456 -0.159 -3.884 2.461 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.270 -4.654 4.379 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.445 -1.987 3.194 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.092 -2.241 3.737 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -3.602 -2.510 6.113 1.00 15.00 H new ATOM 0 HD2 TYR A 456 0.406 -1.880 4.814 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -2.948 -1.956 8.412 1.00 15.00 H new ATOM 0 HE2 TYR A 456 1.066 -1.336 7.115 1.00 15.00 H new ATOM 0 HH TYR A 456 0.301 -1.768 9.409 1.00 15.00 H new ATOM 456 N TRP A 457 -3.924 -5.075 2.591 1.00 15.00 N ATOM 457 CA TRP A 457 -4.941 -5.277 1.572 1.00 15.00 C ATOM 458 C TRP A 457 -5.931 -4.119 1.610 1.00 15.00 C ATOM 459 O TRP A 457 -6.678 -3.884 0.660 1.00 15.00 O ATOM 460 CB TRP A 457 -5.669 -6.608 1.779 1.00 15.00 C ATOM 461 CG TRP A 457 -4.748 -7.789 1.791 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.112 -8.318 2.874 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.355 -8.585 0.666 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.351 -9.394 2.496 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.481 -9.578 1.145 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.657 -8.555 -0.699 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -2.909 -10.535 0.309 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.089 -9.505 -1.529 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.221 -10.480 -1.022 1.00 15.00 C ATOM 0 H TRP A 457 -4.113 -5.538 3.480 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.458 -5.310 0.595 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.216 -6.573 2.721 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.406 -6.738 0.987 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.195 -7.944 3.884 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -2.781 -9.965 3.120 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.322 -7.803 -1.098 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.244 -11.292 0.697 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.319 -9.495 -2.584 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -2.788 -11.204 -1.696 1.00 15.00 H new ATOM 480 N GLU A 458 -5.931 -3.411 2.733 1.00 15.00 N ATOM 481 CA GLU A 458 -6.750 -2.223 2.907 1.00 15.00 C ATOM 482 C GLU A 458 -5.947 -0.983 2.548 1.00 15.00 C ATOM 483 O GLU A 458 -4.728 -0.948 2.729 1.00 15.00 O ATOM 484 CB GLU A 458 -7.240 -2.127 4.354 1.00 15.00 C ATOM 485 CG GLU A 458 -8.197 -3.240 4.746 1.00 15.00 C ATOM 486 CD GLU A 458 -9.443 -3.254 3.886 1.00 15.00 C ATOM 487 OE1 GLU A 458 -10.415 -2.548 4.224 1.00 15.00 O ATOM 488 OE2 GLU A 458 -9.458 -3.966 2.864 1.00 15.00 O ATOM 0 H GLU A 458 -5.363 -3.646 3.547 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.614 -2.291 2.247 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -6.379 -2.147 5.023 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.734 -1.166 4.499 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -7.689 -4.200 4.661 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -8.481 -3.121 5.792 1.00 15.00 H new ATOM 495 N LYS A 459 -6.635 0.033 2.062 1.00 15.00 N ATOM 496 CA LYS A 459 -5.991 1.265 1.643 1.00 15.00 C ATOM 497 C LYS A 459 -5.520 2.058 2.861 1.00 15.00 C ATOM 498 O LYS A 459 -6.320 2.398 3.735 1.00 15.00 O ATOM 499 CB LYS A 459 -6.972 2.094 0.815 1.00 15.00 C ATOM 500 CG LYS A 459 -6.324 3.205 0.007 1.00 15.00 C ATOM 501 CD LYS A 459 -7.372 4.031 -0.722 1.00 15.00 C ATOM 502 CE LYS A 459 -6.742 5.025 -1.684 1.00 15.00 C ATOM 503 NZ LYS A 459 -6.061 4.349 -2.824 1.00 15.00 N ATOM 0 H LYS A 459 -7.648 0.029 1.947 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.120 1.026 1.033 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.507 1.431 0.135 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.714 2.532 1.483 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.743 3.849 0.668 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -5.627 2.777 -0.714 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -8.040 3.367 -1.271 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.982 4.567 0.005 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -7.512 5.695 -2.068 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.022 5.642 -1.147 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -5.855 5.046 -3.568 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -5.172 3.922 -2.494 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -6.680 3.606 -3.207 1.00 15.00 H new ATOM 517 N PRO A 460 -4.211 2.349 2.942 1.00 15.00 N ATOM 518 CA PRO A 460 -3.641 3.135 4.042 1.00 15.00 C ATOM 519 C PRO A 460 -4.197 4.555 4.067 1.00 15.00 C ATOM 520 O PRO A 460 -4.220 5.241 3.044 1.00 15.00 O ATOM 521 CB PRO A 460 -2.140 3.157 3.736 1.00 15.00 C ATOM 522 CG PRO A 460 -2.034 2.849 2.282 1.00 15.00 C ATOM 523 CD PRO A 460 -3.181 1.933 1.974 1.00 15.00 C ATOM 0 HA PRO A 460 -3.878 2.707 5.016 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.705 4.130 3.965 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.605 2.420 4.335 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.089 3.759 1.684 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.081 2.373 2.051 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.524 2.049 0.946 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.906 0.886 2.103 1.00 15.00 H new ATOM 531 N GLN A 461 -4.630 5.005 5.236 1.00 15.00 N ATOM 532 CA GLN A 461 -5.253 6.315 5.352 1.00 15.00 C ATOM 533 C GLN A 461 -4.191 7.404 5.473 1.00 15.00 C ATOM 534 O GLN A 461 -4.496 8.599 5.437 1.00 15.00 O ATOM 535 CB GLN A 461 -6.214 6.356 6.541 1.00 15.00 C ATOM 536 CG GLN A 461 -7.133 7.567 6.532 1.00 15.00 C ATOM 537 CD GLN A 461 -8.184 7.520 7.619 1.00 15.00 C ATOM 538 OE1 GLN A 461 -8.624 6.446 8.033 1.00 15.00 O ATOM 539 NE2 GLN A 461 -8.602 8.683 8.081 1.00 15.00 N ATOM 0 H GLN A 461 -4.562 4.486 6.112 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.831 6.501 4.447 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.819 5.450 6.541 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.637 6.354 7.466 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.535 8.471 6.651 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.625 7.636 5.562 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -8.211 9.549 7.710 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -9.316 8.716 8.809 1.00 15.00 H new ATOM 548 N GLU A 462 -2.935 6.991 5.601 1.00 15.00 N ATOM 549 CA GLU A 462 -1.826 7.937 5.613 1.00 15.00 C ATOM 550 C GLU A 462 -1.476 8.355 4.189 1.00 15.00 C ATOM 551 O GLU A 462 -0.606 9.202 3.968 1.00 15.00 O ATOM 552 CB GLU A 462 -0.596 7.340 6.299 1.00 15.00 C ATOM 553 CG GLU A 462 -0.067 6.084 5.628 1.00 15.00 C ATOM 554 CD GLU A 462 1.331 5.733 6.090 1.00 15.00 C ATOM 555 OE1 GLU A 462 1.474 5.122 7.165 1.00 15.00 O ATOM 556 OE2 GLU A 462 2.300 6.071 5.373 1.00 15.00 O ATOM 0 H GLU A 462 -2.660 6.013 5.697 1.00 15.00 H new ATOM 0 HA GLU A 462 -2.139 8.814 6.179 1.00 15.00 H new ATOM 0 HB2 GLU A 462 0.195 8.089 6.321 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -0.846 7.109 7.335 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -0.737 5.251 5.840 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -0.066 6.225 4.547 1.00 15.00 H new ATOM 563 N LEU A 463 -2.150 7.737 3.225 1.00 15.00 N ATOM 564 CA LEU A 463 -1.964 8.074 1.822 1.00 15.00 C ATOM 565 C LEU A 463 -2.889 9.221 1.431 1.00 15.00 C ATOM 566 O LEU A 463 -2.571 10.012 0.544 1.00 15.00 O ATOM 567 CB LEU A 463 -2.224 6.847 0.939 1.00 15.00 C ATOM 568 CG LEU A 463 -1.998 7.057 -0.560 1.00 15.00 C ATOM 569 CD1 LEU A 463 -0.539 7.384 -0.843 1.00 15.00 C ATOM 570 CD2 LEU A 463 -2.431 5.821 -1.338 1.00 15.00 C ATOM 0 H LEU A 463 -2.832 6.997 3.393 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.933 8.393 1.671 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.580 6.035 1.276 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -3.253 6.522 1.092 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.605 7.902 -0.886 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -0.400 7.529 -1.914 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.261 8.296 -0.314 1.00 15.00 H new ATOM 0 HD13 LEU A 463 0.091 6.561 -0.504 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.265 5.985 -2.403 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.849 4.961 -1.008 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.490 5.632 -1.161 1.00 15.00 H new ATOM 582 N LYS A 464 -4.038 9.283 2.106 1.00 15.00 N ATOM 583 CA LYS A 464 -5.039 10.323 1.879 1.00 15.00 C ATOM 584 C LYS A 464 -5.455 10.384 0.411 1.00 15.00 C ATOM 585 O LYS A 464 -5.221 11.428 -0.241 1.00 15.00 O ATOM 586 CB LYS A 464 -4.516 11.684 2.348 1.00 15.00 C ATOM 587 CG LYS A 464 -4.350 11.793 3.857 1.00 15.00 C ATOM 588 CD LYS A 464 -5.680 11.690 4.578 1.00 15.00 C ATOM 589 CE LYS A 464 -5.539 12.059 6.044 1.00 15.00 C ATOM 590 NZ LYS A 464 -4.477 11.271 6.725 1.00 15.00 N ATOM 591 OXT LYS A 464 -6.003 9.379 -0.086 1.00 15.00 O ATOM 0 H LYS A 464 -4.300 8.611 2.827 1.00 15.00 H new ATOM 0 HA LYS A 464 -5.923 10.069 2.465 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -3.555 11.877 1.872 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -5.201 12.462 2.010 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -3.684 11.004 4.207 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -3.876 12.743 4.103 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -6.407 12.349 4.103 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -6.066 10.674 4.491 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -5.311 13.121 6.129 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -6.490 11.896 6.550 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -4.706 11.181 7.736 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -4.419 10.325 6.297 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -3.563 11.756 6.619 1.00 15.00 H new TER 605 LYS A 464