USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=13 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 461 GLN : amide:sc= -0.312 K(o=-0.31,f=-3.8!) USER MOD Set 1.2: A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 449 ASN : amide:sc= -1.09! C(o=-0.45!,f=-5.5!) USER MOD Set 2.2: A 452 THR OG1 : rot 46:sc= 0.637 USER MOD Set 3.1: A 439 LYS NZ :NH3+ 128:sc= -0.0565 (180deg=-0.601) USER MOD Set 3.2: A 445 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 433 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 436 THR OG1 : rot 28:sc= 0.0405 USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 146:sc= 1.2 (180deg=0.694) USER MOD Single : A 446 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 447 TYR OH : rot 165:sc= -0.678 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.062) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 0:sc= 1.26 USER MOD Single : A 459 LYS NZ :NH3+ -141:sc= 0.938 (180deg=0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 432 7.991 5.012 -12.079 1.00 15.00 N ATOM 2 CA VAL A 432 7.496 5.922 -11.024 1.00 15.00 C ATOM 3 C VAL A 432 6.382 5.242 -10.238 1.00 15.00 C ATOM 4 O VAL A 432 5.294 5.007 -10.764 1.00 15.00 O ATOM 5 CB VAL A 432 6.963 7.245 -11.620 1.00 15.00 C ATOM 6 CG1 VAL A 432 6.545 8.204 -10.517 1.00 15.00 C ATOM 7 CG2 VAL A 432 8.006 7.886 -12.522 1.00 15.00 C ATOM 0 HA VAL A 432 8.333 6.155 -10.366 1.00 15.00 H new ATOM 0 HB VAL A 432 6.084 7.016 -12.222 1.00 15.00 H new ATOM 0 HG11 VAL A 432 6.173 9.128 -10.960 1.00 15.00 H new ATOM 0 HG12 VAL A 432 5.758 7.747 -9.917 1.00 15.00 H new ATOM 0 HG13 VAL A 432 7.403 8.425 -9.883 1.00 15.00 H new ATOM 0 HG21 VAL A 432 7.611 8.816 -12.931 1.00 15.00 H new ATOM 0 HG22 VAL A 432 8.906 8.097 -11.945 1.00 15.00 H new ATOM 0 HG23 VAL A 432 8.250 7.205 -13.338 1.00 15.00 H new ATOM 17 N SER A 433 6.664 4.894 -8.990 1.00 15.00 N ATOM 18 CA SER A 433 5.692 4.195 -8.162 1.00 15.00 C ATOM 19 C SER A 433 5.863 4.543 -6.686 1.00 15.00 C ATOM 20 O SER A 433 6.943 4.375 -6.114 1.00 15.00 O ATOM 21 CB SER A 433 5.828 2.682 -8.357 1.00 15.00 C ATOM 22 OG SER A 433 5.653 2.324 -9.718 1.00 15.00 O ATOM 0 H SER A 433 7.555 5.084 -8.530 1.00 15.00 H new ATOM 0 HA SER A 433 4.697 4.515 -8.472 1.00 15.00 H new ATOM 0 HB2 SER A 433 6.810 2.355 -8.015 1.00 15.00 H new ATOM 0 HB3 SER A 433 5.089 2.166 -7.744 1.00 15.00 H new ATOM 0 HG SER A 433 5.746 1.353 -9.816 1.00 15.00 H new ATOM 28 N GLU A 434 4.791 5.035 -6.082 1.00 15.00 N ATOM 29 CA GLU A 434 4.758 5.263 -4.650 1.00 15.00 C ATOM 30 C GLU A 434 3.709 4.376 -3.989 1.00 15.00 C ATOM 31 O GLU A 434 3.859 3.992 -2.837 1.00 15.00 O ATOM 32 CB GLU A 434 4.486 6.730 -4.319 1.00 15.00 C ATOM 33 CG GLU A 434 4.786 7.077 -2.877 1.00 15.00 C ATOM 34 CD GLU A 434 4.368 8.480 -2.503 1.00 15.00 C ATOM 35 OE1 GLU A 434 5.142 9.423 -2.756 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 3.271 8.641 -1.941 1.00 15.00 O ATOM 0 H GLU A 434 3.929 5.284 -6.567 1.00 15.00 H new ATOM 0 HA GLU A 434 5.741 5.005 -4.257 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.089 7.362 -4.972 1.00 15.00 H new ATOM 0 HB3 GLU A 434 3.441 6.957 -4.532 1.00 15.00 H new ATOM 0 HG2 GLU A 434 4.276 6.367 -2.226 1.00 15.00 H new ATOM 0 HG3 GLU A 434 5.855 6.963 -2.698 1.00 15.00 H new ATOM 43 N TRP A 435 2.646 4.057 -4.713 1.00 15.00 N ATOM 44 CA TRP A 435 1.602 3.193 -4.180 1.00 15.00 C ATOM 45 C TRP A 435 1.508 1.898 -4.971 1.00 15.00 C ATOM 46 O TRP A 435 1.229 1.906 -6.169 1.00 15.00 O ATOM 47 CB TRP A 435 0.242 3.900 -4.175 1.00 15.00 C ATOM 48 CG TRP A 435 0.080 4.895 -3.065 1.00 15.00 C ATOM 49 CD1 TRP A 435 -0.254 6.212 -3.186 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.246 4.651 -1.661 1.00 15.00 C ATOM 51 NE1 TRP A 435 -0.319 6.799 -1.945 1.00 15.00 N ATOM 52 CE2 TRP A 435 -0.013 5.864 -0.993 1.00 15.00 C ATOM 53 CE3 TRP A 435 0.580 3.524 -0.902 1.00 15.00 C ATOM 54 CZ2 TRP A 435 0.056 5.981 0.394 1.00 15.00 C ATOM 55 CZ3 TRP A 435 0.651 3.643 0.473 1.00 15.00 C ATOM 56 CH2 TRP A 435 0.388 4.863 1.109 1.00 15.00 C ATOM 0 H TRP A 435 2.484 4.381 -5.666 1.00 15.00 H new ATOM 0 HA TRP A 435 1.873 2.957 -3.151 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.104 4.409 -5.129 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.546 3.151 -4.096 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -0.440 6.720 -4.121 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -0.557 7.774 -1.763 1.00 15.00 H new ATOM 0 HE3 TRP A 435 0.779 2.577 -1.382 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -0.145 6.921 0.887 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.914 2.780 1.067 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.449 4.922 2.186 1.00 15.00 H new ATOM 67 N THR A 436 1.754 0.789 -4.294 1.00 15.00 N ATOM 68 CA THR A 436 1.642 -0.527 -4.902 1.00 15.00 C ATOM 69 C THR A 436 0.874 -1.470 -3.981 1.00 15.00 C ATOM 70 O THR A 436 1.201 -1.593 -2.805 1.00 15.00 O ATOM 71 CB THR A 436 3.034 -1.121 -5.213 1.00 15.00 C ATOM 72 OG1 THR A 436 3.896 -0.998 -4.072 1.00 15.00 O ATOM 73 CG2 THR A 436 3.670 -0.428 -6.409 1.00 15.00 C ATOM 0 H THR A 436 2.035 0.774 -3.314 1.00 15.00 H new ATOM 0 HA THR A 436 1.099 -0.415 -5.841 1.00 15.00 H new ATOM 0 HB THR A 436 2.900 -2.176 -5.453 1.00 15.00 H new ATOM 0 HG1 THR A 436 3.357 -0.993 -3.254 1.00 15.00 H new ATOM 0 HG21 THR A 436 4.649 -0.866 -6.605 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.033 -0.555 -7.284 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.784 0.635 -6.195 1.00 15.00 H new ATOM 81 N GLU A 437 -0.147 -2.129 -4.504 1.00 15.00 N ATOM 82 CA GLU A 437 -0.967 -3.003 -3.684 1.00 15.00 C ATOM 83 C GLU A 437 -0.406 -4.421 -3.688 1.00 15.00 C ATOM 84 O GLU A 437 -0.089 -4.978 -4.743 1.00 15.00 O ATOM 85 CB GLU A 437 -2.426 -3.009 -4.173 1.00 15.00 C ATOM 86 CG GLU A 437 -2.643 -3.656 -5.536 1.00 15.00 C ATOM 87 CD GLU A 437 -2.298 -2.753 -6.707 1.00 15.00 C ATOM 88 OE1 GLU A 437 -1.097 -2.486 -6.930 1.00 15.00 O ATOM 89 OE2 GLU A 437 -3.230 -2.333 -7.421 1.00 15.00 O1- ATOM 0 H GLU A 437 -0.426 -2.076 -5.484 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.949 -2.620 -2.664 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -3.038 -3.531 -3.438 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.784 -1.980 -4.214 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -2.039 -4.561 -5.598 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -3.686 -3.962 -5.620 1.00 15.00 H new ATOM 96 N ARG A 438 -0.272 -5.002 -2.510 1.00 15.00 N ATOM 97 CA ARG A 438 0.161 -6.383 -2.406 1.00 15.00 C ATOM 98 C ARG A 438 -0.772 -7.170 -1.503 1.00 15.00 C ATOM 99 O ARG A 438 -0.954 -6.842 -0.328 1.00 15.00 O ATOM 100 CB ARG A 438 1.606 -6.487 -1.907 1.00 15.00 C ATOM 101 CG ARG A 438 2.101 -7.926 -1.831 1.00 15.00 C ATOM 102 CD ARG A 438 3.617 -8.011 -1.799 1.00 15.00 C ATOM 103 NE ARG A 438 4.193 -7.461 -0.569 1.00 15.00 N ATOM 104 CZ ARG A 438 5.503 -7.426 -0.319 1.00 15.00 C ATOM 105 NH1 ARG A 438 6.363 -7.923 -1.201 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 5.946 -6.901 0.816 1.00 15.00 N ATOM 0 H ARG A 438 -0.455 -4.543 -1.618 1.00 15.00 H new ATOM 0 HA ARG A 438 0.125 -6.814 -3.407 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.257 -5.918 -2.571 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.679 -6.030 -0.920 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.693 -8.402 -0.939 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.726 -8.483 -2.689 1.00 15.00 H new ATOM 0 HD2 ARG A 438 3.920 -9.053 -1.902 1.00 15.00 H new ATOM 0 HD3 ARG A 438 4.024 -7.475 -2.656 1.00 15.00 H new ATOM 0 HE ARG A 438 3.558 -7.084 0.134 1.00 15.00 H new ATOM 0 HH11 ARG A 438 6.022 -8.332 -2.071 1.00 15.00 H new ATOM 0 HH12 ARG A 438 7.364 -7.895 -1.008 1.00 15.00 H new ATOM 0 HH21 ARG A 438 5.285 -6.525 1.496 1.00 15.00 H new ATOM 0 HH22 ARG A 438 6.947 -6.874 1.009 1.00 15.00 H new ATOM 120 N LYS A 439 -1.365 -8.206 -2.068 1.00 15.00 N ATOM 121 CA LYS A 439 -2.231 -9.091 -1.318 1.00 15.00 C ATOM 122 C LYS A 439 -1.392 -10.214 -0.732 1.00 15.00 C ATOM 123 O LYS A 439 -0.906 -11.081 -1.458 1.00 15.00 O ATOM 124 CB LYS A 439 -3.327 -9.658 -2.224 1.00 15.00 C ATOM 125 CG LYS A 439 -4.370 -10.488 -1.493 1.00 15.00 C ATOM 126 CD LYS A 439 -5.415 -11.027 -2.457 1.00 15.00 C ATOM 127 CE LYS A 439 -6.569 -11.673 -1.717 1.00 15.00 C ATOM 128 NZ LYS A 439 -7.255 -10.702 -0.826 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.260 -8.455 -3.052 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.714 -8.537 -0.513 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.826 -8.833 -2.732 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -2.864 -10.274 -2.995 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.884 -11.317 -0.978 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -4.855 -9.879 -0.730 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.790 -10.215 -3.081 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.955 -11.756 -3.124 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -7.283 -12.077 -2.435 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.200 -12.512 -1.127 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -8.277 -10.715 -1.020 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -7.088 -10.963 0.167 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.881 -9.747 -1.000 1.00 15.00 H new ATOM 142 N THR A 440 -1.200 -10.178 0.572 1.00 15.00 N ATOM 143 CA THR A 440 -0.307 -11.113 1.224 1.00 15.00 C ATOM 144 C THR A 440 -1.059 -12.370 1.652 1.00 15.00 C ATOM 145 O THR A 440 -2.260 -12.316 1.947 1.00 15.00 O ATOM 146 CB THR A 440 0.403 -10.463 2.436 1.00 15.00 C ATOM 147 OG1 THR A 440 1.419 -11.334 2.941 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.581 -10.132 3.549 1.00 15.00 C ATOM 0 H THR A 440 -1.650 -9.512 1.200 1.00 15.00 H new ATOM 0 HA THR A 440 0.459 -11.398 0.502 1.00 15.00 H new ATOM 0 HB THR A 440 0.855 -9.533 2.091 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.862 -10.911 3.706 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.047 -9.677 4.383 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.332 -9.435 3.176 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.070 -11.046 3.886 1.00 15.00 H new ATOM 156 N ALA A 441 -0.340 -13.494 1.677 1.00 15.00 N ATOM 157 CA ALA A 441 -0.919 -14.803 1.985 1.00 15.00 C ATOM 158 C ALA A 441 -1.536 -14.841 3.380 1.00 15.00 C ATOM 159 O ALA A 441 -2.273 -15.767 3.718 1.00 15.00 O ATOM 160 CB ALA A 441 0.137 -15.890 1.843 1.00 15.00 C ATOM 0 H ALA A 441 0.661 -13.522 1.484 1.00 15.00 H new ATOM 0 HA ALA A 441 -1.721 -14.985 1.270 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -0.305 -16.859 2.075 1.00 15.00 H new ATOM 0 HB2 ALA A 441 0.515 -15.899 0.821 1.00 15.00 H new ATOM 0 HB3 ALA A 441 0.958 -15.692 2.532 1.00 15.00 H new ATOM 166 N ASP A 442 -1.237 -13.823 4.179 1.00 15.00 N ATOM 167 CA ASP A 442 -1.819 -13.678 5.508 1.00 15.00 C ATOM 168 C ASP A 442 -3.318 -13.371 5.411 1.00 15.00 C ATOM 169 O ASP A 442 -4.039 -13.385 6.408 1.00 15.00 O ATOM 170 CB ASP A 442 -1.084 -12.569 6.275 1.00 15.00 C ATOM 171 CG ASP A 442 -1.603 -12.369 7.685 1.00 15.00 C ATOM 172 OD1 ASP A 442 -1.545 -13.323 8.488 1.00 15.00 O ATOM 173 OD2 ASP A 442 -2.045 -11.247 8.006 1.00 15.00 O1- ATOM 0 H ASP A 442 -0.588 -13.078 3.925 1.00 15.00 H new ATOM 0 HA ASP A 442 -1.705 -14.617 6.050 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -0.022 -12.809 6.317 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.178 -11.633 5.725 1.00 15.00 H new ATOM 178 N GLY A 443 -3.777 -13.092 4.195 1.00 15.00 N ATOM 179 CA GLY A 443 -5.190 -12.855 3.967 1.00 15.00 C ATOM 180 C GLY A 443 -5.543 -11.387 4.014 1.00 15.00 C ATOM 181 O GLY A 443 -6.685 -11.025 4.304 1.00 15.00 O ATOM 0 H GLY A 443 -3.193 -13.026 3.361 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -5.472 -13.263 2.996 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -5.771 -13.390 4.718 1.00 15.00 H new ATOM 185 N LYS A 444 -4.569 -10.538 3.716 1.00 15.00 N ATOM 186 CA LYS A 444 -4.762 -9.096 3.800 1.00 15.00 C ATOM 187 C LYS A 444 -4.152 -8.400 2.592 1.00 15.00 C ATOM 188 O LYS A 444 -3.057 -8.747 2.147 1.00 15.00 O ATOM 189 CB LYS A 444 -4.125 -8.546 5.081 1.00 15.00 C ATOM 190 CG LYS A 444 -4.705 -9.129 6.361 1.00 15.00 C ATOM 191 CD LYS A 444 -3.997 -8.586 7.593 1.00 15.00 C ATOM 192 CE LYS A 444 -4.559 -9.186 8.873 1.00 15.00 C ATOM 193 NZ LYS A 444 -4.452 -10.671 8.889 1.00 15.00 N1+ ATOM 0 H LYS A 444 -3.637 -10.822 3.414 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.834 -8.900 3.818 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.054 -8.745 5.056 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -4.247 -7.463 5.099 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.768 -8.896 6.419 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.618 -10.215 6.339 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.931 -8.804 7.526 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -4.100 -7.501 7.624 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.026 -8.775 9.730 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.605 -8.897 8.980 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -4.281 -10.996 9.862 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -5.337 -11.087 8.536 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -3.663 -10.969 8.281 1.00 15.00 H new ATOM 207 N THR A 445 -4.856 -7.410 2.076 1.00 15.00 N ATOM 208 CA THR A 445 -4.367 -6.631 0.955 1.00 15.00 C ATOM 209 C THR A 445 -3.934 -5.250 1.437 1.00 15.00 C ATOM 210 O THR A 445 -4.771 -4.397 1.731 1.00 15.00 O ATOM 211 CB THR A 445 -5.449 -6.486 -0.131 1.00 15.00 C ATOM 212 OG1 THR A 445 -6.043 -7.766 -0.401 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.856 -5.917 -1.412 1.00 15.00 C ATOM 0 H THR A 445 -5.774 -7.125 2.418 1.00 15.00 H new ATOM 0 HA THR A 445 -3.514 -7.153 0.522 1.00 15.00 H new ATOM 0 HB THR A 445 -6.212 -5.799 0.234 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.732 -7.668 -1.091 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.639 -5.823 -2.165 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.428 -4.935 -1.210 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.077 -6.584 -1.780 1.00 15.00 H new ATOM 221 N TYR A 446 -2.632 -5.039 1.541 1.00 15.00 N ATOM 222 CA TYR A 446 -2.114 -3.787 2.071 1.00 15.00 C ATOM 223 C TYR A 446 -1.321 -3.043 1.001 1.00 15.00 C ATOM 224 O TYR A 446 -0.717 -3.658 0.116 1.00 15.00 O ATOM 225 CB TYR A 446 -1.250 -4.041 3.315 1.00 15.00 C ATOM 226 CG TYR A 446 0.162 -4.504 3.029 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.444 -5.836 2.749 1.00 15.00 C ATOM 228 CD2 TYR A 446 1.216 -3.601 3.054 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.739 -6.250 2.503 1.00 15.00 C ATOM 230 CE2 TYR A 446 2.510 -4.007 2.806 1.00 15.00 C ATOM 231 CZ TYR A 446 2.766 -5.330 2.532 1.00 15.00 C ATOM 232 OH TYR A 446 4.055 -5.737 2.290 1.00 15.00 O ATOM 0 H TYR A 446 -1.918 -5.714 1.267 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.957 -3.163 2.368 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.204 -3.123 3.900 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -1.743 -4.790 3.935 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.360 -6.557 2.723 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.019 -2.562 3.272 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.946 -7.288 2.289 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.318 -3.290 2.827 1.00 15.00 H new ATOM 0 HH TYR A 446 4.658 -4.966 2.347 1.00 15.00 H new ATOM 242 N TYR A 447 -1.321 -1.726 1.090 1.00 15.00 N ATOM 243 CA TYR A 447 -0.656 -0.897 0.102 1.00 15.00 C ATOM 244 C TYR A 447 0.732 -0.492 0.586 1.00 15.00 C ATOM 245 O TYR A 447 0.883 0.179 1.609 1.00 15.00 O ATOM 246 CB TYR A 447 -1.505 0.337 -0.212 1.00 15.00 C ATOM 247 CG TYR A 447 -2.867 -0.007 -0.771 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.061 -0.161 -2.138 1.00 15.00 C ATOM 249 CD2 TYR A 447 -3.956 -0.192 0.070 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.303 -0.487 -2.651 1.00 15.00 C ATOM 251 CE2 TYR A 447 -5.201 -0.518 -0.435 1.00 15.00 C ATOM 252 CZ TYR A 447 -5.369 -0.665 -1.794 1.00 15.00 C ATOM 253 OH TYR A 447 -6.608 -0.987 -2.298 1.00 15.00 O ATOM 0 H TYR A 447 -1.776 -1.205 1.840 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.537 -1.475 -0.814 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.630 0.926 0.697 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.973 0.964 -0.927 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -2.228 -0.024 -2.811 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.828 -0.079 1.137 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -4.438 -0.602 -3.716 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -6.038 -0.657 0.233 1.00 15.00 H new ATOM 0 HH TYR A 447 -7.184 -1.307 -1.572 1.00 15.00 H new ATOM 263 N TYR A 448 1.738 -0.925 -0.152 1.00 15.00 N ATOM 264 CA TYR A 448 3.119 -0.612 0.162 1.00 15.00 C ATOM 265 C TYR A 448 3.533 0.675 -0.538 1.00 15.00 C ATOM 266 O TYR A 448 3.388 0.808 -1.757 1.00 15.00 O ATOM 267 CB TYR A 448 4.024 -1.774 -0.270 1.00 15.00 C ATOM 268 CG TYR A 448 5.506 -1.532 -0.048 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.080 -1.705 1.205 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.327 -1.141 -1.100 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.432 -1.490 1.405 1.00 15.00 C ATOM 272 CE2 TYR A 448 7.679 -0.926 -0.907 1.00 15.00 C ATOM 273 CZ TYR A 448 8.226 -1.104 0.346 1.00 15.00 C ATOM 274 OH TYR A 448 9.573 -0.888 0.540 1.00 15.00 O ATOM 0 H TYR A 448 1.620 -1.503 -0.984 1.00 15.00 H new ATOM 0 HA TYR A 448 3.221 -0.469 1.238 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.729 -2.670 0.276 1.00 15.00 H new ATOM 0 HB3 TYR A 448 3.856 -1.975 -1.328 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.462 -2.012 2.036 1.00 15.00 H new ATOM 0 HD2 TYR A 448 5.902 -1.003 -2.083 1.00 15.00 H new ATOM 0 HE1 TYR A 448 7.863 -1.624 2.386 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.303 -0.620 -1.733 1.00 15.00 H new ATOM 0 HH TYR A 448 9.987 -0.623 -0.308 1.00 15.00 H new ATOM 284 N ASN A 449 4.035 1.615 0.239 1.00 15.00 N ATOM 285 CA ASN A 449 4.511 2.880 -0.292 1.00 15.00 C ATOM 286 C ASN A 449 5.987 2.761 -0.649 1.00 15.00 C ATOM 287 O ASN A 449 6.827 2.529 0.221 1.00 15.00 O ATOM 288 CB ASN A 449 4.307 4.006 0.717 1.00 15.00 C ATOM 289 CG ASN A 449 4.551 5.368 0.108 1.00 15.00 C ATOM 290 OD1 ASN A 449 5.693 5.807 -0.018 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.478 6.053 -0.258 1.00 15.00 N ATOM 0 H ASN A 449 4.125 1.526 1.251 1.00 15.00 H new ATOM 0 HA ASN A 449 3.938 3.119 -1.188 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.291 3.961 1.108 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.981 3.861 1.562 1.00 15.00 H new ATOM 0 HD21 ASN A 449 3.581 6.984 -0.663 1.00 15.00 H new ATOM 0 HD22 ASN A 449 2.549 5.650 -0.135 1.00 15.00 H new ATOM 298 N ASN A 450 6.291 2.930 -1.925 1.00 15.00 N ATOM 299 CA ASN A 450 7.621 2.631 -2.444 1.00 15.00 C ATOM 300 C ASN A 450 8.527 3.865 -2.483 1.00 15.00 C ATOM 301 O ASN A 450 9.744 3.738 -2.580 1.00 15.00 O ATOM 302 CB ASN A 450 7.493 2.015 -3.845 1.00 15.00 C ATOM 303 CG ASN A 450 8.818 1.543 -4.421 1.00 15.00 C ATOM 304 OD1 ASN A 450 9.243 0.413 -4.183 1.00 15.00 O ATOM 305 ND2 ASN A 450 9.460 2.390 -5.210 1.00 15.00 N ATOM 0 H ASN A 450 5.634 3.274 -2.625 1.00 15.00 H new ATOM 0 HA ASN A 450 8.092 1.920 -1.765 1.00 15.00 H new ATOM 0 HB2 ASN A 450 6.804 1.172 -3.801 1.00 15.00 H new ATOM 0 HB3 ASN A 450 7.054 2.751 -4.519 1.00 15.00 H new ATOM 0 HD21 ASN A 450 10.340 2.114 -5.645 1.00 15.00 H new ATOM 0 HD22 ASN A 450 9.075 3.318 -5.383 1.00 15.00 H new ATOM 312 N ARG A 451 7.950 5.058 -2.416 1.00 15.00 N ATOM 313 CA ARG A 451 8.757 6.271 -2.530 1.00 15.00 C ATOM 314 C ARG A 451 9.199 6.794 -1.162 1.00 15.00 C ATOM 315 O ARG A 451 10.380 7.068 -0.953 1.00 15.00 O ATOM 316 CB ARG A 451 8.018 7.366 -3.314 1.00 15.00 C ATOM 317 CG ARG A 451 8.722 8.715 -3.296 1.00 15.00 C ATOM 318 CD ARG A 451 7.888 9.801 -3.956 1.00 15.00 C ATOM 319 NE ARG A 451 7.717 9.594 -5.394 1.00 15.00 N ATOM 320 CZ ARG A 451 6.542 9.672 -6.022 1.00 15.00 C ATOM 321 NH1 ARG A 451 5.423 9.840 -5.329 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 6.485 9.567 -7.341 1.00 15.00 N ATOM 0 H ARG A 451 6.950 5.213 -2.286 1.00 15.00 H new ATOM 0 HA ARG A 451 9.654 6.000 -3.087 1.00 15.00 H new ATOM 0 HB2 ARG A 451 7.899 7.042 -4.348 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.017 7.484 -2.900 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.936 8.998 -2.266 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.680 8.631 -3.809 1.00 15.00 H new ATOM 0 HD2 ARG A 451 6.908 9.838 -3.481 1.00 15.00 H new ATOM 0 HD3 ARG A 451 8.361 10.768 -3.787 1.00 15.00 H new ATOM 0 HE ARG A 451 8.545 9.377 -5.949 1.00 15.00 H new ATOM 0 HH11 ARG A 451 5.459 9.910 -4.312 1.00 15.00 H new ATOM 0 HH12 ARG A 451 4.527 9.899 -5.813 1.00 15.00 H new ATOM 0 HH21 ARG A 451 7.340 9.426 -7.879 1.00 15.00 H new ATOM 0 HH22 ARG A 451 5.586 9.627 -7.819 1.00 15.00 H new ATOM 336 N THR A 452 8.262 6.940 -0.236 1.00 15.00 N ATOM 337 CA THR A 452 8.581 7.488 1.075 1.00 15.00 C ATOM 338 C THR A 452 8.742 6.399 2.130 1.00 15.00 C ATOM 339 O THR A 452 9.004 6.696 3.295 1.00 15.00 O ATOM 340 CB THR A 452 7.512 8.497 1.530 1.00 15.00 C ATOM 341 OG1 THR A 452 6.330 8.363 0.729 1.00 15.00 O ATOM 342 CG2 THR A 452 8.042 9.919 1.424 1.00 15.00 C ATOM 0 H THR A 452 7.282 6.689 -0.366 1.00 15.00 H new ATOM 0 HA THR A 452 9.537 8.002 0.972 1.00 15.00 H new ATOM 0 HB THR A 452 7.265 8.288 2.571 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.097 7.415 0.646 1.00 15.00 H new ATOM 0 HG21 THR A 452 7.273 10.619 1.750 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.923 10.027 2.057 1.00 15.00 H new ATOM 0 HG23 THR A 452 8.311 10.131 0.389 1.00 15.00 H new ATOM 350 N LEU A 453 8.607 5.146 1.703 1.00 15.00 N ATOM 351 CA LEU A 453 8.744 3.987 2.586 1.00 15.00 C ATOM 352 C LEU A 453 7.688 3.995 3.691 1.00 15.00 C ATOM 353 O LEU A 453 7.872 4.586 4.758 1.00 15.00 O ATOM 354 CB LEU A 453 10.151 3.905 3.193 1.00 15.00 C ATOM 355 CG LEU A 453 11.292 3.743 2.184 1.00 15.00 C ATOM 356 CD1 LEU A 453 12.635 3.744 2.895 1.00 15.00 C ATOM 357 CD2 LEU A 453 11.119 2.462 1.383 1.00 15.00 C ATOM 0 H LEU A 453 8.399 4.904 0.734 1.00 15.00 H new ATOM 0 HA LEU A 453 8.586 3.100 1.972 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.330 4.808 3.777 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.181 3.065 3.888 1.00 15.00 H new ATOM 0 HG LEU A 453 11.263 4.588 1.496 1.00 15.00 H new ATOM 0 HD11 LEU A 453 13.434 3.628 2.163 1.00 15.00 H new ATOM 0 HD12 LEU A 453 12.764 4.686 3.427 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.671 2.918 3.606 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.939 2.364 0.672 1.00 15.00 H new ATOM 0 HD22 LEU A 453 11.121 1.607 2.059 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.172 2.495 0.843 1.00 15.00 H new ATOM 369 N GLU A 454 6.558 3.379 3.399 1.00 15.00 N ATOM 370 CA GLU A 454 5.462 3.276 4.351 1.00 15.00 C ATOM 371 C GLU A 454 4.678 1.993 4.102 1.00 15.00 C ATOM 372 O GLU A 454 4.578 1.534 2.970 1.00 15.00 O ATOM 373 CB GLU A 454 4.543 4.498 4.220 1.00 15.00 C ATOM 374 CG GLU A 454 3.395 4.522 5.218 1.00 15.00 C ATOM 375 CD GLU A 454 3.872 4.449 6.654 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.200 5.507 7.230 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 3.921 3.334 7.212 1.00 15.00 O ATOM 0 H GLU A 454 6.372 2.936 2.499 1.00 15.00 H new ATOM 0 HA GLU A 454 5.866 3.248 5.363 1.00 15.00 H new ATOM 0 HB2 GLU A 454 5.139 5.402 4.346 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.133 4.524 3.210 1.00 15.00 H new ATOM 0 HG2 GLU A 454 2.815 5.434 5.077 1.00 15.00 H new ATOM 0 HG3 GLU A 454 2.726 3.685 5.018 1.00 15.00 H new ATOM 384 N SER A 455 4.113 1.422 5.147 1.00 15.00 N ATOM 385 CA SER A 455 3.267 0.251 5.004 1.00 15.00 C ATOM 386 C SER A 455 1.913 0.509 5.654 1.00 15.00 C ATOM 387 O SER A 455 1.784 0.501 6.878 1.00 15.00 O ATOM 388 CB SER A 455 3.954 -0.985 5.594 1.00 15.00 C ATOM 389 OG SER A 455 4.630 -0.671 6.802 1.00 15.00 O ATOM 0 H SER A 455 4.224 1.750 6.107 1.00 15.00 H new ATOM 0 HA SER A 455 3.101 0.054 3.945 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.212 -1.762 5.781 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.664 -1.389 4.872 1.00 15.00 H new ATOM 0 HG SER A 455 5.058 -1.478 7.157 1.00 15.00 H new ATOM 395 N THR A 456 0.917 0.787 4.828 1.00 15.00 N ATOM 396 CA THR A 456 -0.392 1.169 5.322 1.00 15.00 C ATOM 397 C THR A 456 -1.380 0.015 5.140 1.00 15.00 C ATOM 398 O THR A 456 -1.319 -0.722 4.150 1.00 15.00 O ATOM 399 CB THR A 456 -0.894 2.452 4.601 1.00 15.00 C ATOM 400 OG1 THR A 456 -2.012 3.034 5.286 1.00 15.00 O ATOM 401 CG2 THR A 456 -1.285 2.166 3.158 1.00 15.00 C ATOM 0 H THR A 456 0.992 0.755 3.811 1.00 15.00 H new ATOM 0 HA THR A 456 -0.316 1.391 6.386 1.00 15.00 H new ATOM 0 HB THR A 456 -0.064 3.159 4.609 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.226 2.498 6.078 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.631 3.085 2.686 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.421 1.783 2.616 1.00 15.00 H new ATOM 0 HG23 THR A 456 -2.084 1.425 3.138 1.00 15.00 H new ATOM 409 N TRP A 457 -2.264 -0.156 6.111 1.00 15.00 N ATOM 410 CA TRP A 457 -3.243 -1.235 6.075 1.00 15.00 C ATOM 411 C TRP A 457 -4.627 -0.678 5.781 1.00 15.00 C ATOM 412 O TRP A 457 -5.545 -1.409 5.409 1.00 15.00 O ATOM 413 CB TRP A 457 -3.255 -2.000 7.401 1.00 15.00 C ATOM 414 CG TRP A 457 -1.951 -2.670 7.717 1.00 15.00 C ATOM 415 CD1 TRP A 457 -0.924 -2.163 8.462 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.533 -3.972 7.292 1.00 15.00 C ATOM 417 NE1 TRP A 457 0.106 -3.071 8.525 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.244 -4.189 7.815 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.122 -4.977 6.520 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.463 -5.367 7.590 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.419 -6.146 6.297 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.138 -6.332 6.831 1.00 15.00 C ATOM 0 H TRP A 457 -2.325 0.440 6.937 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.962 -1.926 5.280 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.505 -1.310 8.207 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.043 -2.753 7.370 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -0.922 -1.191 8.933 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.987 -2.935 9.020 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.110 -4.843 6.105 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.451 -5.513 8.001 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.865 -6.929 5.701 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.386 -7.257 6.639 1.00 15.00 H new ATOM 433 N GLU A 458 -4.768 0.622 5.975 1.00 15.00 N ATOM 434 CA GLU A 458 -6.011 1.318 5.698 1.00 15.00 C ATOM 435 C GLU A 458 -5.996 1.869 4.277 1.00 15.00 C ATOM 436 O GLU A 458 -4.931 2.146 3.722 1.00 15.00 O ATOM 437 CB GLU A 458 -6.235 2.449 6.715 1.00 15.00 C ATOM 438 CG GLU A 458 -5.026 3.352 6.946 1.00 15.00 C ATOM 439 CD GLU A 458 -4.013 2.759 7.912 1.00 15.00 C ATOM 440 OE1 GLU A 458 -4.161 2.962 9.134 1.00 15.00 O ATOM 441 OE2 GLU A 458 -3.061 2.087 7.458 1.00 15.00 O1- ATOM 0 H GLU A 458 -4.024 1.224 6.329 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.836 0.611 5.789 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.070 3.063 6.376 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.529 2.009 7.668 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -4.538 3.546 5.991 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -5.367 4.313 7.331 1.00 15.00 H new ATOM 448 N LYS A 459 -7.179 2.031 3.698 1.00 15.00 N ATOM 449 CA LYS A 459 -7.306 2.491 2.321 1.00 15.00 C ATOM 450 C LYS A 459 -6.851 3.943 2.178 1.00 15.00 C ATOM 451 O LYS A 459 -7.440 4.846 2.776 1.00 15.00 O ATOM 452 CB LYS A 459 -8.757 2.363 1.858 1.00 15.00 C ATOM 453 CG LYS A 459 -8.943 2.523 0.358 1.00 15.00 C ATOM 454 CD LYS A 459 -8.325 1.363 -0.401 1.00 15.00 C ATOM 455 CE LYS A 459 -8.920 1.223 -1.793 1.00 15.00 C ATOM 456 NZ LYS A 459 -10.387 0.999 -1.742 1.00 15.00 N1+ ATOM 0 H LYS A 459 -8.068 1.850 4.163 1.00 15.00 H new ATOM 0 HA LYS A 459 -6.665 1.866 1.699 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -9.139 1.388 2.159 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -9.359 3.113 2.371 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -10.006 2.587 0.126 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -8.488 3.458 0.031 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.248 1.511 -0.479 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -8.480 0.439 0.156 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -8.709 2.122 -2.371 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -8.442 0.391 -2.311 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -10.658 0.307 -2.470 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -10.650 0.636 -0.804 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -10.882 1.897 -1.917 1.00 15.00 H new ATOM 470 N PRO A 460 -5.798 4.181 1.384 1.00 15.00 N ATOM 471 CA PRO A 460 -5.281 5.528 1.126 1.00 15.00 C ATOM 472 C PRO A 460 -6.301 6.400 0.399 1.00 15.00 C ATOM 473 O PRO A 460 -7.058 5.915 -0.450 1.00 15.00 O ATOM 474 CB PRO A 460 -4.053 5.291 0.237 1.00 15.00 C ATOM 475 CG PRO A 460 -3.714 3.851 0.415 1.00 15.00 C ATOM 476 CD PRO A 460 -5.014 3.156 0.683 1.00 15.00 C ATOM 0 HA PRO A 460 -5.049 6.056 2.051 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -4.272 5.518 -0.806 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -3.222 5.931 0.534 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -3.232 3.449 -0.477 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -3.018 3.712 1.243 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -5.499 2.838 -0.240 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -4.876 2.264 1.295 1.00 15.00 H new ATOM 484 N GLN A 461 -6.292 7.686 0.729 1.00 15.00 N ATOM 485 CA GLN A 461 -7.207 8.669 0.152 1.00 15.00 C ATOM 486 C GLN A 461 -7.138 8.639 -1.379 1.00 15.00 C ATOM 487 O GLN A 461 -8.160 8.709 -2.060 1.00 15.00 O ATOM 488 CB GLN A 461 -6.832 10.062 0.680 1.00 15.00 C ATOM 489 CG GLN A 461 -7.960 11.091 0.701 1.00 15.00 C ATOM 490 CD GLN A 461 -8.368 11.588 -0.672 1.00 15.00 C ATOM 491 OE1 GLN A 461 -9.308 11.081 -1.279 1.00 15.00 O ATOM 492 NE2 GLN A 461 -7.648 12.578 -1.177 1.00 15.00 N ATOM 0 H GLN A 461 -5.644 8.081 1.411 1.00 15.00 H new ATOM 0 HA GLN A 461 -8.230 8.429 0.443 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.446 9.954 1.693 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -6.019 10.455 0.069 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -8.829 10.652 1.190 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.650 11.942 1.307 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -6.875 12.972 -0.640 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -7.866 12.947 -2.103 1.00 15.00 H new ATOM 501 N GLU A 462 -5.924 8.523 -1.907 1.00 15.00 N ATOM 502 CA GLU A 462 -5.694 8.525 -3.351 1.00 15.00 C ATOM 503 C GLU A 462 -6.361 7.333 -4.039 1.00 15.00 C ATOM 504 O GLU A 462 -6.597 7.356 -5.247 1.00 15.00 O ATOM 505 CB GLU A 462 -4.194 8.525 -3.665 1.00 15.00 C ATOM 506 CG GLU A 462 -3.422 9.661 -3.010 1.00 15.00 C ATOM 507 CD GLU A 462 -2.913 9.314 -1.623 1.00 15.00 C ATOM 508 OE1 GLU A 462 -3.717 9.299 -0.666 1.00 15.00 O ATOM 509 OE2 GLU A 462 -1.699 9.072 -1.483 1.00 15.00 O1- ATOM 0 H GLU A 462 -5.074 8.425 -1.351 1.00 15.00 H new ATOM 0 HA GLU A 462 -6.145 9.438 -3.740 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.766 7.576 -3.342 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -4.060 8.584 -4.745 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.577 9.930 -3.644 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -4.065 10.539 -2.945 1.00 15.00 H new ATOM 516 N LEU A 463 -6.641 6.285 -3.278 1.00 15.00 N ATOM 517 CA LEU A 463 -7.312 5.113 -3.824 1.00 15.00 C ATOM 518 C LEU A 463 -8.811 5.220 -3.598 1.00 15.00 C ATOM 519 O LEU A 463 -9.596 5.104 -4.538 1.00 15.00 O ATOM 520 CB LEU A 463 -6.777 3.812 -3.203 1.00 15.00 C ATOM 521 CG LEU A 463 -5.395 3.350 -3.682 1.00 15.00 C ATOM 522 CD1 LEU A 463 -5.335 3.305 -5.203 1.00 15.00 C ATOM 523 CD2 LEU A 463 -4.301 4.242 -3.123 1.00 15.00 C ATOM 0 H LEU A 463 -6.416 6.221 -2.285 1.00 15.00 H new ATOM 0 HA LEU A 463 -7.107 5.080 -4.894 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -6.740 3.939 -2.121 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -7.493 3.016 -3.406 1.00 15.00 H new ATOM 0 HG LEU A 463 -5.229 2.340 -3.308 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -4.345 2.975 -5.518 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -6.086 2.609 -5.576 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -5.531 4.299 -5.604 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.331 3.893 -3.477 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.462 5.267 -3.456 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -4.324 4.206 -2.034 1.00 15.00 H new ATOM 535 N LYS A 464 -9.183 5.453 -2.340 1.00 15.00 N ATOM 536 CA LYS A 464 -10.580 5.594 -1.935 1.00 15.00 C ATOM 537 C LYS A 464 -11.392 4.360 -2.332 1.00 15.00 C ATOM 538 O LYS A 464 -11.988 4.355 -3.430 1.00 15.00 O ATOM 539 CB LYS A 464 -11.198 6.856 -2.550 1.00 15.00 C ATOM 540 CG LYS A 464 -12.565 7.205 -1.985 1.00 15.00 C ATOM 541 CD LYS A 464 -12.457 7.821 -0.601 1.00 15.00 C ATOM 542 CE LYS A 464 -11.847 9.214 -0.665 1.00 15.00 C ATOM 543 NZ LYS A 464 -11.849 9.887 0.658 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -11.422 3.390 -1.547 1.00 15.00 O ATOM 0 H LYS A 464 -8.521 5.550 -1.570 1.00 15.00 H new ATOM 0 HA LYS A 464 -10.606 5.687 -0.849 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -10.523 7.696 -2.388 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -11.284 6.719 -3.628 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -13.070 7.901 -2.655 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -13.180 6.306 -1.937 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -13.446 7.875 -0.146 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -11.846 7.183 0.038 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -10.824 9.144 -1.034 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -12.403 9.820 -1.380 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -11.425 10.832 0.567 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -12.827 9.978 1.000 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -11.297 9.323 1.335 1.00 15.00 H new TER 558 LYS A 464