USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 ASN :FLIP amide:sc= -2.92! C(o=-4.8!,f=-2.9!) USER MOD Single : A 447 LYS NZ :NH3+ -161:sc= -1.17 (180deg=-1.95) USER MOD Single : A 454 CYS SG : rot -37:sc= 0.0901 USER MOD Single : A 455 THR OG1 : rot -63:sc= -1.9! USER MOD Single : A 462 GLN : amide:sc= -5.26! C(o=-5.3!,f=-5.9!) USER MOD Single : A 474 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 MET CE :methyl 179:sc= -7.03! (180deg=-7.04!) USER MOD Single : A 487 ASN : amide:sc= -2.76! X(o=-2.8!,f=-2.6) USER MOD Single : A 489 CYS SG : rot -38:sc= -13.8! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.596 -12.320 5.486 1.00 0.00 N ATOM 35 CA LYS A 429 10.285 -13.205 4.505 1.00 0.00 C ATOM 36 C LYS A 429 9.250 -14.067 3.781 1.00 0.00 C ATOM 37 O LYS A 429 8.183 -14.333 4.295 1.00 0.00 O ATOM 38 CB LYS A 429 11.279 -14.108 5.240 1.00 0.00 C ATOM 39 CG LYS A 429 12.708 -13.681 4.895 1.00 0.00 C ATOM 40 CD LYS A 429 13.615 -14.912 4.865 1.00 0.00 C ATOM 41 CE LYS A 429 14.918 -14.603 5.607 1.00 0.00 C ATOM 42 NZ LYS A 429 16.062 -15.226 4.884 1.00 0.00 N ATOM 0 HA LYS A 429 10.820 -12.594 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.119 -14.043 6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 429 11.120 -15.148 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 429 12.725 -13.180 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 429 13.073 -12.965 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 429 13.111 -15.760 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 429 13.829 -15.194 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 429 15.062 -13.525 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 429 14.867 -14.985 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 16.947 -15.016 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 15.925 -16.256 4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 16.114 -14.841 3.919 1.00 0.00 H new ATOM 56 N PRO A 430 9.575 -14.506 2.558 1.00 0.00 N ATOM 57 CA PRO A 430 8.675 -15.337 1.747 1.00 0.00 C ATOM 58 C PRO A 430 8.510 -16.744 2.330 1.00 0.00 C ATOM 59 O PRO A 430 9.458 -17.351 2.790 1.00 0.00 O ATOM 60 CB PRO A 430 9.382 -15.410 0.394 1.00 0.00 C ATOM 61 CG PRO A 430 10.822 -15.180 0.708 1.00 0.00 C ATOM 62 CD PRO A 430 10.849 -14.230 1.872 1.00 0.00 C ATOM 0 HA PRO A 430 7.669 -14.920 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 430 9.230 -16.379 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.001 -14.655 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 430 11.321 -16.117 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 430 11.346 -14.759 -0.150 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.705 -14.413 2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.914 -13.192 1.544 1.00 0.00 H new ATOM 70 N ALA A 431 7.314 -17.268 2.312 1.00 0.00 N ATOM 71 CA ALA A 431 7.089 -18.634 2.862 1.00 0.00 C ATOM 72 C ALA A 431 7.551 -19.677 1.843 1.00 0.00 C ATOM 73 O ALA A 431 7.495 -19.460 0.649 1.00 0.00 O ATOM 74 CB ALA A 431 5.599 -18.828 3.153 1.00 0.00 C ATOM 0 H ALA A 431 6.483 -16.808 1.940 1.00 0.00 H new ATOM 0 HA ALA A 431 7.657 -18.752 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.434 -19.827 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.271 -18.085 3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 431 5.030 -18.710 2.231 1.00 0.00 H new ATOM 80 N ASP A 432 8.012 -20.806 2.306 1.00 0.00 N ATOM 81 CA ASP A 432 8.484 -21.863 1.370 1.00 0.00 C ATOM 82 C ASP A 432 7.386 -22.189 0.355 1.00 0.00 C ATOM 83 O ASP A 432 7.661 -22.555 -0.770 1.00 0.00 O ATOM 84 CB ASP A 432 8.830 -23.126 2.162 1.00 0.00 C ATOM 85 CG ASP A 432 10.050 -22.857 3.044 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.685 -21.834 2.848 1.00 0.00 O ATOM 87 OD2 ASP A 432 10.327 -23.679 3.902 1.00 0.00 O ATOM 0 H ASP A 432 8.082 -21.042 3.296 1.00 0.00 H new ATOM 0 HA ASP A 432 9.368 -21.504 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 432 7.982 -23.426 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.036 -23.951 1.480 1.00 0.00 H new ATOM 92 N ASP A 433 6.144 -22.060 0.734 1.00 0.00 N ATOM 93 CA ASP A 433 5.049 -22.371 -0.225 1.00 0.00 C ATOM 94 C ASP A 433 5.187 -21.464 -1.446 1.00 0.00 C ATOM 95 O ASP A 433 5.065 -21.897 -2.574 1.00 0.00 O ATOM 96 CB ASP A 433 3.689 -22.132 0.438 1.00 0.00 C ATOM 97 CG ASP A 433 3.517 -23.097 1.613 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.305 -24.024 1.714 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.600 -22.894 2.391 1.00 0.00 O ATOM 0 H ASP A 433 5.842 -21.755 1.659 1.00 0.00 H new ATOM 0 HA ASP A 433 5.116 -23.416 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.619 -21.102 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 433 2.888 -22.279 -0.287 1.00 0.00 H new ATOM 104 N LEU A 434 5.448 -20.208 -1.223 1.00 0.00 N ATOM 105 CA LEU A 434 5.604 -19.261 -2.361 1.00 0.00 C ATOM 106 C LEU A 434 6.937 -19.523 -3.056 1.00 0.00 C ATOM 107 O LEU A 434 7.008 -19.695 -4.257 1.00 0.00 O ATOM 108 CB LEU A 434 5.583 -17.830 -1.826 1.00 0.00 C ATOM 109 CG LEU A 434 5.410 -16.843 -2.984 1.00 0.00 C ATOM 110 CD1 LEU A 434 4.310 -17.338 -3.925 1.00 0.00 C ATOM 111 CD2 LEU A 434 5.025 -15.471 -2.429 1.00 0.00 C ATOM 0 H LEU A 434 5.561 -19.794 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 434 4.790 -19.400 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 434 4.769 -17.712 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.509 -17.619 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 434 6.347 -16.766 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 434 4.190 -16.633 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 434 4.584 -18.316 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 434 3.371 -17.419 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 434 4.901 -14.767 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 434 4.089 -15.552 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 434 5.810 -15.115 -1.762 1.00 0.00 H new ATOM 123 N LEU A 435 7.994 -19.549 -2.301 1.00 0.00 N ATOM 124 CA LEU A 435 9.340 -19.795 -2.892 1.00 0.00 C ATOM 125 C LEU A 435 9.322 -21.086 -3.712 1.00 0.00 C ATOM 126 O LEU A 435 9.901 -21.166 -4.778 1.00 0.00 O ATOM 127 CB LEU A 435 10.368 -19.926 -1.769 1.00 0.00 C ATOM 128 CG LEU A 435 10.680 -18.542 -1.199 1.00 0.00 C ATOM 129 CD1 LEU A 435 10.600 -18.591 0.328 1.00 0.00 C ATOM 130 CD2 LEU A 435 12.089 -18.123 -1.621 1.00 0.00 C ATOM 0 H LEU A 435 7.987 -19.410 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 435 9.604 -18.961 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 435 9.983 -20.576 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.279 -20.389 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 435 9.957 -17.821 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 435 10.822 -17.605 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 435 9.597 -18.891 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.324 -19.312 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 435 12.312 -17.136 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 435 12.812 -18.844 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 435 12.148 -18.090 -2.709 1.00 0.00 H new ATOM 142 N ASN A 436 8.672 -22.101 -3.219 1.00 0.00 N ATOM 143 CA ASN A 436 8.627 -23.392 -3.964 1.00 0.00 C ATOM 144 C ASN A 436 7.431 -23.402 -4.918 1.00 0.00 C ATOM 145 O ASN A 436 7.207 -24.358 -5.635 1.00 0.00 O ATOM 146 CB ASN A 436 8.497 -24.546 -2.970 1.00 0.00 C ATOM 147 CG ASN A 436 9.631 -24.463 -1.947 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.347 -24.227 -0.695 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 10.787 -24.611 -2.290 1.00 0.00 N flip ATOM 0 H ASN A 436 8.169 -22.094 -2.332 1.00 0.00 H new ATOM 0 HA ASN A 436 9.545 -23.506 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 436 7.532 -24.499 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 436 8.535 -25.500 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 436 11.009 -24.795 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 436 11.535 -24.551 -1.600 1.00 0.00 H new ATOM 156 N LEU A 437 6.661 -22.349 -4.940 1.00 0.00 N ATOM 157 CA LEU A 437 5.487 -22.310 -5.857 1.00 0.00 C ATOM 158 C LEU A 437 5.959 -21.952 -7.267 1.00 0.00 C ATOM 159 O LEU A 437 6.569 -20.925 -7.486 1.00 0.00 O ATOM 160 CB LEU A 437 4.488 -21.255 -5.375 1.00 0.00 C ATOM 161 CG LEU A 437 3.278 -21.238 -6.312 1.00 0.00 C ATOM 162 CD1 LEU A 437 2.465 -22.521 -6.119 1.00 0.00 C ATOM 163 CD2 LEU A 437 2.399 -20.027 -5.993 1.00 0.00 C ATOM 0 H LEU A 437 6.793 -21.517 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 437 5.004 -23.287 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.170 -21.477 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 437 4.960 -20.273 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 437 3.621 -21.175 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 437 1.603 -22.509 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.089 -23.385 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.123 -22.583 -5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.538 -20.016 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.056 -20.088 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 437 2.976 -19.112 -6.130 1.00 0.00 H new ATOM 175 N GLU A 438 5.683 -22.791 -8.227 1.00 0.00 N ATOM 176 CA GLU A 438 6.116 -22.495 -9.620 1.00 0.00 C ATOM 177 C GLU A 438 5.578 -21.126 -10.040 1.00 0.00 C ATOM 178 O GLU A 438 4.439 -20.790 -9.782 1.00 0.00 O ATOM 179 CB GLU A 438 5.567 -23.570 -10.563 1.00 0.00 C ATOM 180 CG GLU A 438 6.103 -23.332 -11.976 1.00 0.00 C ATOM 181 CD GLU A 438 5.477 -24.347 -12.935 1.00 0.00 C ATOM 182 OE1 GLU A 438 4.655 -25.129 -12.485 1.00 0.00 O ATOM 183 OE2 GLU A 438 5.829 -24.325 -14.103 1.00 0.00 O ATOM 0 H GLU A 438 5.177 -23.668 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 438 7.205 -22.489 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 438 5.860 -24.560 -10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 438 4.477 -23.543 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 438 5.869 -22.318 -12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 438 7.189 -23.428 -11.986 1.00 0.00 H new ATOM 190 N GLY A 439 6.389 -20.331 -10.686 1.00 0.00 N ATOM 191 CA GLY A 439 5.921 -18.986 -11.123 1.00 0.00 C ATOM 192 C GLY A 439 6.564 -17.906 -10.249 1.00 0.00 C ATOM 193 O GLY A 439 6.650 -16.756 -10.630 1.00 0.00 O ATOM 0 H GLY A 439 7.354 -20.556 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 439 6.180 -18.823 -12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.835 -18.927 -11.050 1.00 0.00 H new ATOM 197 N VAL A 440 7.015 -18.265 -9.078 1.00 0.00 N ATOM 198 CA VAL A 440 7.650 -17.255 -8.184 1.00 0.00 C ATOM 199 C VAL A 440 9.058 -17.721 -7.811 1.00 0.00 C ATOM 200 O VAL A 440 9.235 -18.699 -7.113 1.00 0.00 O ATOM 201 CB VAL A 440 6.808 -17.096 -6.916 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.489 -16.107 -5.967 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.421 -16.568 -7.290 1.00 0.00 C ATOM 0 H VAL A 440 6.971 -19.212 -8.702 1.00 0.00 H new ATOM 0 HA VAL A 440 7.710 -16.297 -8.700 1.00 0.00 H new ATOM 0 HB VAL A 440 6.711 -18.063 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 440 6.888 -15.995 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.478 -16.481 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.588 -15.139 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.820 -16.454 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.521 -15.602 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.933 -17.272 -7.965 1.00 0.00 H new ATOM 213 N ASP A 441 10.062 -17.025 -8.272 1.00 0.00 N ATOM 214 CA ASP A 441 11.457 -17.427 -7.943 1.00 0.00 C ATOM 215 C ASP A 441 11.792 -16.970 -6.522 1.00 0.00 C ATOM 216 O ASP A 441 11.074 -16.192 -5.926 1.00 0.00 O ATOM 217 CB ASP A 441 12.424 -16.768 -8.932 1.00 0.00 C ATOM 218 CG ASP A 441 12.004 -17.109 -10.364 1.00 0.00 C ATOM 219 OD1 ASP A 441 11.277 -18.073 -10.535 1.00 0.00 O ATOM 220 OD2 ASP A 441 12.418 -16.399 -11.266 1.00 0.00 O ATOM 0 H ASP A 441 9.975 -16.197 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 441 11.551 -18.511 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 441 12.425 -15.687 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 441 13.441 -17.115 -8.748 1.00 0.00 H new ATOM 225 N ARG A 442 12.875 -17.445 -5.974 1.00 0.00 N ATOM 226 CA ARG A 442 13.253 -17.034 -4.595 1.00 0.00 C ATOM 227 C ARG A 442 13.325 -15.509 -4.530 1.00 0.00 C ATOM 228 O ARG A 442 12.984 -14.900 -3.536 1.00 0.00 O ATOM 229 CB ARG A 442 14.618 -17.629 -4.246 1.00 0.00 C ATOM 230 CG ARG A 442 15.032 -17.181 -2.842 1.00 0.00 C ATOM 231 CD ARG A 442 16.441 -17.696 -2.539 1.00 0.00 C ATOM 232 NE ARG A 442 16.495 -19.167 -2.770 1.00 0.00 N ATOM 233 CZ ARG A 442 15.999 -19.986 -1.883 1.00 0.00 C ATOM 234 NH1 ARG A 442 14.891 -20.628 -2.135 1.00 0.00 N ATOM 235 NH2 ARG A 442 16.611 -20.167 -0.746 1.00 0.00 N ATOM 0 H ARG A 442 13.515 -18.101 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 442 12.510 -17.395 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 442 14.574 -18.717 -4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.362 -17.308 -4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.008 -16.093 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.327 -17.563 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 442 17.168 -17.191 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 442 16.708 -17.470 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 442 16.920 -19.534 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 442 14.413 -20.490 -3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 442 14.503 -21.268 -1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 442 17.479 -19.668 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 442 16.222 -20.807 -0.054 1.00 0.00 H new ATOM 249 N ASP A 443 13.774 -14.893 -5.586 1.00 0.00 N ATOM 250 CA ASP A 443 13.879 -13.407 -5.598 1.00 0.00 C ATOM 251 C ASP A 443 12.480 -12.786 -5.593 1.00 0.00 C ATOM 252 O ASP A 443 12.199 -11.881 -4.832 1.00 0.00 O ATOM 253 CB ASP A 443 14.627 -12.960 -6.854 1.00 0.00 C ATOM 254 CG ASP A 443 16.097 -13.365 -6.742 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.502 -13.756 -5.659 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.793 -13.279 -7.739 1.00 0.00 O ATOM 0 H ASP A 443 14.074 -15.355 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 443 14.421 -13.079 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 443 14.180 -13.415 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.544 -11.880 -6.975 1.00 0.00 H new ATOM 261 N LEU A 444 11.599 -13.258 -6.434 1.00 0.00 N ATOM 262 CA LEU A 444 10.225 -12.683 -6.465 1.00 0.00 C ATOM 263 C LEU A 444 9.569 -12.875 -5.099 1.00 0.00 C ATOM 264 O LEU A 444 8.726 -12.102 -4.689 1.00 0.00 O ATOM 265 CB LEU A 444 9.395 -13.393 -7.537 1.00 0.00 C ATOM 266 CG LEU A 444 8.141 -12.571 -7.842 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.652 -12.896 -9.255 1.00 0.00 C ATOM 268 CD2 LEU A 444 7.044 -12.915 -6.833 1.00 0.00 C ATOM 0 H LEU A 444 11.771 -14.013 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 444 10.279 -11.620 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.987 -13.522 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 444 9.115 -14.389 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 444 8.378 -11.509 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.759 -12.311 -9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.432 -12.650 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.416 -13.958 -9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 444 6.152 -12.329 -7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.806 -13.977 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.391 -12.685 -5.826 1.00 0.00 H new ATOM 280 N ALA A 445 9.952 -13.899 -4.388 1.00 0.00 N ATOM 281 CA ALA A 445 9.352 -14.135 -3.047 1.00 0.00 C ATOM 282 C ALA A 445 9.711 -12.966 -2.128 1.00 0.00 C ATOM 283 O ALA A 445 8.982 -12.637 -1.213 1.00 0.00 O ATOM 284 CB ALA A 445 9.900 -15.439 -2.463 1.00 0.00 C ATOM 0 H ALA A 445 10.653 -14.581 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 445 8.268 -14.212 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.460 -15.611 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 445 9.647 -16.268 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 445 10.984 -15.368 -2.368 1.00 0.00 H new ATOM 290 N PHE A 446 10.824 -12.326 -2.373 1.00 0.00 N ATOM 291 CA PHE A 446 11.219 -11.172 -1.520 1.00 0.00 C ATOM 292 C PHE A 446 10.341 -9.972 -1.876 1.00 0.00 C ATOM 293 O PHE A 446 9.703 -9.385 -1.024 1.00 0.00 O ATOM 294 CB PHE A 446 12.689 -10.829 -1.771 1.00 0.00 C ATOM 295 CG PHE A 446 13.568 -11.850 -1.087 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.744 -11.805 0.301 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.208 -12.842 -1.842 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.559 -12.752 0.935 1.00 0.00 C ATOM 299 CE2 PHE A 446 15.023 -13.788 -1.207 1.00 0.00 C ATOM 300 CZ PHE A 446 15.199 -13.742 0.181 1.00 0.00 C ATOM 0 H PHE A 446 11.474 -12.553 -3.126 1.00 0.00 H new ATOM 0 HA PHE A 446 11.088 -11.425 -0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.893 -10.817 -2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.910 -9.831 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.252 -11.040 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 446 14.073 -12.877 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.693 -12.718 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.516 -14.553 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 446 15.829 -14.471 0.670 1.00 0.00 H new ATOM 310 N LYS A 447 10.291 -9.610 -3.129 1.00 0.00 N ATOM 311 CA LYS A 447 9.438 -8.458 -3.532 1.00 0.00 C ATOM 312 C LYS A 447 7.997 -8.752 -3.122 1.00 0.00 C ATOM 313 O LYS A 447 7.262 -7.876 -2.714 1.00 0.00 O ATOM 314 CB LYS A 447 9.504 -8.269 -5.049 1.00 0.00 C ATOM 315 CG LYS A 447 8.987 -6.874 -5.405 1.00 0.00 C ATOM 316 CD LYS A 447 9.128 -6.644 -6.911 1.00 0.00 C ATOM 317 CE LYS A 447 8.725 -5.206 -7.246 1.00 0.00 C ATOM 318 NZ LYS A 447 7.647 -4.763 -6.316 1.00 0.00 N ATOM 0 H LYS A 447 10.802 -10.061 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 447 9.791 -7.549 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.529 -8.390 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.905 -9.030 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 447 7.943 -6.775 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 447 9.547 -6.117 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 447 10.156 -6.827 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 447 8.499 -7.346 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 447 9.588 -4.546 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 447 8.378 -5.145 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 7.153 -3.943 -6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 6.970 -5.539 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 8.065 -4.497 -5.401 1.00 0.00 H new ATOM 332 N LEU A 448 7.594 -9.989 -3.222 1.00 0.00 N ATOM 333 CA LEU A 448 6.207 -10.361 -2.834 1.00 0.00 C ATOM 334 C LEU A 448 6.131 -10.466 -1.309 1.00 0.00 C ATOM 335 O LEU A 448 5.179 -10.034 -0.692 1.00 0.00 O ATOM 336 CB LEU A 448 5.854 -11.709 -3.472 1.00 0.00 C ATOM 337 CG LEU A 448 4.504 -12.213 -2.947 1.00 0.00 C ATOM 338 CD1 LEU A 448 4.698 -12.845 -1.567 1.00 0.00 C ATOM 339 CD2 LEU A 448 3.515 -11.049 -2.848 1.00 0.00 C ATOM 0 H LEU A 448 8.170 -10.761 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 448 5.501 -9.606 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.814 -11.606 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.633 -12.439 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 448 4.106 -12.959 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.739 -13.204 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.393 -13.681 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.100 -12.101 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.559 -11.415 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 448 3.907 -10.296 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 448 3.374 -10.606 -3.834 1.00 0.00 H new ATOM 351 N ALA A 449 7.135 -11.033 -0.696 1.00 0.00 N ATOM 352 CA ALA A 449 7.126 -11.161 0.789 1.00 0.00 C ATOM 353 C ALA A 449 7.314 -9.780 1.418 1.00 0.00 C ATOM 354 O ALA A 449 6.821 -9.502 2.492 1.00 0.00 O ATOM 355 CB ALA A 449 8.266 -12.082 1.230 1.00 0.00 C ATOM 0 H ALA A 449 7.960 -11.413 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 449 6.174 -11.583 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.259 -12.175 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.133 -13.066 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.219 -11.661 0.908 1.00 0.00 H new ATOM 361 N ALA A 450 8.023 -8.910 0.753 1.00 0.00 N ATOM 362 CA ALA A 450 8.242 -7.545 1.309 1.00 0.00 C ATOM 363 C ALA A 450 6.935 -6.748 1.240 1.00 0.00 C ATOM 364 O ALA A 450 6.841 -5.649 1.746 1.00 0.00 O ATOM 365 CB ALA A 450 9.317 -6.828 0.490 1.00 0.00 C ATOM 0 H ALA A 450 8.460 -9.085 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 450 8.566 -7.624 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.478 -5.829 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.248 -7.393 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.992 -6.750 -0.548 1.00 0.00 H new ATOM 371 N ARG A 451 5.931 -7.294 0.612 1.00 0.00 N ATOM 372 CA ARG A 451 4.634 -6.566 0.507 1.00 0.00 C ATOM 373 C ARG A 451 3.659 -7.089 1.564 1.00 0.00 C ATOM 374 O ARG A 451 2.467 -6.861 1.487 1.00 0.00 O ATOM 375 CB ARG A 451 4.041 -6.780 -0.887 1.00 0.00 C ATOM 376 CG ARG A 451 4.970 -6.167 -1.936 1.00 0.00 C ATOM 377 CD ARG A 451 5.014 -4.648 -1.756 1.00 0.00 C ATOM 378 NE ARG A 451 5.836 -4.044 -2.842 1.00 0.00 N ATOM 379 CZ ARG A 451 6.899 -3.349 -2.544 1.00 0.00 C ATOM 380 NH1 ARG A 451 8.079 -3.776 -2.901 1.00 0.00 N ATOM 381 NH2 ARG A 451 6.783 -2.227 -1.888 1.00 0.00 N ATOM 0 H ARG A 451 5.952 -8.212 0.167 1.00 0.00 H new ATOM 0 HA ARG A 451 4.804 -5.502 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 451 3.911 -7.845 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 451 3.054 -6.322 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 451 5.972 -6.584 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 451 4.618 -6.415 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.004 -4.239 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 451 5.437 -4.398 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 451 5.568 -4.174 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 451 8.170 -4.653 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 451 8.910 -3.232 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 451 5.861 -1.893 -1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 451 7.614 -1.684 -1.655 1.00 0.00 H new ATOM 395 N GLY A 452 4.149 -7.790 2.548 1.00 0.00 N ATOM 396 CA GLY A 452 3.243 -8.328 3.604 1.00 0.00 C ATOM 397 C GLY A 452 2.792 -9.737 3.213 1.00 0.00 C ATOM 398 O GLY A 452 2.324 -10.502 4.033 1.00 0.00 O ATOM 0 H GLY A 452 5.137 -8.014 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.759 -8.352 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.377 -7.677 3.723 1.00 0.00 H new ATOM 402 N VAL A 453 2.936 -10.086 1.963 1.00 0.00 N ATOM 403 CA VAL A 453 2.525 -11.444 1.510 1.00 0.00 C ATOM 404 C VAL A 453 3.658 -12.430 1.804 1.00 0.00 C ATOM 405 O VAL A 453 4.256 -12.993 0.912 1.00 0.00 O ATOM 406 CB VAL A 453 2.245 -11.400 0.005 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.695 -12.748 -0.459 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.217 -10.307 -0.286 1.00 0.00 C ATOM 0 H VAL A 453 3.322 -9.486 1.234 1.00 0.00 H new ATOM 0 HA VAL A 453 1.625 -11.764 2.035 1.00 0.00 H new ATOM 0 HB VAL A 453 3.172 -11.186 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 453 1.498 -12.711 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 453 2.425 -13.530 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.769 -12.966 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.015 -10.273 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.293 -10.524 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 453 1.608 -9.343 0.040 1.00 0.00 H new ATOM 418 N CYS A 454 3.966 -12.630 3.054 1.00 0.00 N ATOM 419 CA CYS A 454 5.074 -13.561 3.413 1.00 0.00 C ATOM 420 C CYS A 454 4.621 -15.016 3.280 1.00 0.00 C ATOM 421 O CYS A 454 5.406 -15.928 3.447 1.00 0.00 O ATOM 422 CB CYS A 454 5.499 -13.302 4.859 1.00 0.00 C ATOM 423 SG CYS A 454 5.584 -11.519 5.155 1.00 0.00 S ATOM 0 H CYS A 454 3.498 -12.188 3.845 1.00 0.00 H new ATOM 0 HA CYS A 454 5.910 -13.388 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.788 -13.762 5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.469 -13.760 5.051 1.00 0.00 H new ATOM 0 HG CYS A 454 6.034 -10.923 4.091 1.00 0.00 H new ATOM 429 N THR A 455 3.372 -15.257 2.992 1.00 0.00 N ATOM 430 CA THR A 455 2.918 -16.670 2.871 1.00 0.00 C ATOM 431 C THR A 455 2.162 -16.876 1.559 1.00 0.00 C ATOM 432 O THR A 455 1.609 -15.953 0.993 1.00 0.00 O ATOM 433 CB THR A 455 2.002 -17.015 4.047 1.00 0.00 C ATOM 434 OG1 THR A 455 1.138 -15.918 4.308 1.00 0.00 O ATOM 435 CG2 THR A 455 2.846 -17.308 5.288 1.00 0.00 C ATOM 0 H THR A 455 2.655 -14.548 2.837 1.00 0.00 H new ATOM 0 HA THR A 455 3.791 -17.322 2.881 1.00 0.00 H new ATOM 0 HB THR A 455 1.409 -17.896 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.669 -15.141 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.191 -17.553 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.509 -18.150 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.441 -16.430 5.539 1.00 0.00 H new ATOM 443 N LEU A 456 2.128 -18.089 1.080 1.00 0.00 N ATOM 444 CA LEU A 456 1.403 -18.372 -0.188 1.00 0.00 C ATOM 445 C LEU A 456 -0.062 -17.971 -0.018 1.00 0.00 C ATOM 446 O LEU A 456 -0.681 -17.438 -0.918 1.00 0.00 O ATOM 447 CB LEU A 456 1.499 -19.865 -0.500 1.00 0.00 C ATOM 448 CG LEU A 456 0.845 -20.150 -1.852 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.907 -20.117 -2.953 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.194 -21.533 -1.815 1.00 0.00 C ATOM 0 H LEU A 456 2.573 -18.898 1.514 1.00 0.00 H new ATOM 0 HA LEU A 456 1.844 -17.806 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.543 -20.177 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 456 1.007 -20.443 0.282 1.00 0.00 H new ATOM 0 HG LEU A 456 0.088 -19.393 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 456 1.439 -20.320 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 456 2.375 -19.133 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.665 -20.874 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.274 -21.741 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 456 0.954 -22.287 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.563 -21.558 -1.031 1.00 0.00 H new ATOM 462 N GLU A 457 -0.618 -18.212 1.139 1.00 0.00 N ATOM 463 CA GLU A 457 -2.037 -17.831 1.377 1.00 0.00 C ATOM 464 C GLU A 457 -2.173 -16.322 1.185 1.00 0.00 C ATOM 465 O GLU A 457 -3.140 -15.835 0.632 1.00 0.00 O ATOM 466 CB GLU A 457 -2.435 -18.201 2.807 1.00 0.00 C ATOM 467 CG GLU A 457 -2.656 -19.712 2.901 1.00 0.00 C ATOM 468 CD GLU A 457 -3.018 -20.084 4.341 1.00 0.00 C ATOM 469 OE1 GLU A 457 -3.060 -19.189 5.169 1.00 0.00 O ATOM 470 OE2 GLU A 457 -3.245 -21.256 4.590 1.00 0.00 O ATOM 0 H GLU A 457 -0.150 -18.656 1.929 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.687 -18.358 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.656 -17.893 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -3.344 -17.671 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.454 -20.017 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -1.755 -20.242 2.592 1.00 0.00 H new ATOM 477 N ASP A 458 -1.198 -15.583 1.630 1.00 0.00 N ATOM 478 CA ASP A 458 -1.250 -14.105 1.469 1.00 0.00 C ATOM 479 C ASP A 458 -1.224 -13.773 -0.023 1.00 0.00 C ATOM 480 O ASP A 458 -1.820 -12.812 -0.470 1.00 0.00 O ATOM 481 CB ASP A 458 -0.038 -13.475 2.154 1.00 0.00 C ATOM 482 CG ASP A 458 -0.113 -13.727 3.661 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.173 -14.117 4.125 1.00 0.00 O ATOM 484 OD2 ASP A 458 0.889 -13.527 4.326 1.00 0.00 O ATOM 0 H ASP A 458 -0.365 -15.939 2.099 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.161 -13.713 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.882 -13.898 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -0.011 -12.404 1.955 1.00 0.00 H new ATOM 489 N LEU A 459 -0.539 -14.570 -0.799 1.00 0.00 N ATOM 490 CA LEU A 459 -0.471 -14.317 -2.265 1.00 0.00 C ATOM 491 C LEU A 459 -1.810 -14.693 -2.896 1.00 0.00 C ATOM 492 O LEU A 459 -2.280 -14.049 -3.814 1.00 0.00 O ATOM 493 CB LEU A 459 0.644 -15.170 -2.875 1.00 0.00 C ATOM 494 CG LEU A 459 0.770 -14.871 -4.373 1.00 0.00 C ATOM 495 CD1 LEU A 459 -0.373 -15.554 -5.127 1.00 0.00 C ATOM 496 CD2 LEU A 459 0.705 -13.361 -4.606 1.00 0.00 C ATOM 0 H LEU A 459 -0.022 -15.388 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.261 -13.264 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.589 -14.962 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.429 -16.228 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 459 1.725 -15.250 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 459 -0.284 -15.342 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 459 -0.323 -16.631 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 459 -1.328 -15.177 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 459 0.795 -13.153 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 459 -0.247 -12.977 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 459 1.521 -12.875 -4.071 1.00 0.00 H new ATOM 508 N ALA A 460 -2.432 -15.729 -2.405 1.00 0.00 N ATOM 509 CA ALA A 460 -3.745 -16.144 -2.970 1.00 0.00 C ATOM 510 C ALA A 460 -4.762 -15.026 -2.743 1.00 0.00 C ATOM 511 O ALA A 460 -5.732 -14.898 -3.463 1.00 0.00 O ATOM 512 CB ALA A 460 -4.220 -17.420 -2.272 1.00 0.00 C ATOM 0 H ALA A 460 -2.087 -16.305 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 460 -3.643 -16.335 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.182 -17.724 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.490 -18.214 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.327 -17.232 -1.204 1.00 0.00 H new ATOM 518 N GLU A 461 -4.546 -14.213 -1.745 1.00 0.00 N ATOM 519 CA GLU A 461 -5.496 -13.101 -1.472 1.00 0.00 C ATOM 520 C GLU A 461 -5.174 -11.923 -2.391 1.00 0.00 C ATOM 521 O GLU A 461 -5.911 -10.960 -2.463 1.00 0.00 O ATOM 522 CB GLU A 461 -5.361 -12.662 -0.013 1.00 0.00 C ATOM 523 CG GLU A 461 -5.774 -13.815 0.905 1.00 0.00 C ATOM 524 CD GLU A 461 -5.680 -13.363 2.364 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.161 -12.284 2.598 1.00 0.00 O ATOM 526 OE2 GLU A 461 -6.128 -14.106 3.222 1.00 0.00 O ATOM 0 H GLU A 461 -3.752 -14.272 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.516 -13.439 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -4.333 -12.367 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -5.988 -11.790 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -6.792 -14.130 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -5.128 -14.677 0.738 1.00 0.00 H new ATOM 533 N GLN A 462 -4.078 -11.989 -3.097 1.00 0.00 N ATOM 534 CA GLN A 462 -3.717 -10.869 -4.010 1.00 0.00 C ATOM 535 C GLN A 462 -4.549 -10.961 -5.285 1.00 0.00 C ATOM 536 O GLN A 462 -5.076 -12.002 -5.623 1.00 0.00 O ATOM 537 CB GLN A 462 -2.236 -10.954 -4.378 1.00 0.00 C ATOM 538 CG GLN A 462 -1.414 -11.290 -3.136 1.00 0.00 C ATOM 539 CD GLN A 462 -1.514 -10.142 -2.129 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.689 -9.000 -2.505 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.408 -10.401 -0.855 1.00 0.00 N ATOM 0 H GLN A 462 -3.419 -12.768 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 462 -3.914 -9.923 -3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.085 -11.716 -5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -1.902 -10.007 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -1.777 -12.214 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.372 -11.457 -3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.261 -11.360 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -1.472 -9.645 -0.174 1.00 0.00 H new ATOM 550 N GLY A 463 -4.670 -9.877 -5.997 1.00 0.00 N ATOM 551 CA GLY A 463 -5.467 -9.894 -7.255 1.00 0.00 C ATOM 552 C GLY A 463 -4.557 -9.546 -8.434 1.00 0.00 C ATOM 553 O GLY A 463 -3.598 -8.813 -8.296 1.00 0.00 O ATOM 0 H GLY A 463 -4.251 -8.977 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.913 -10.877 -7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.287 -9.178 -7.190 1.00 0.00 H new ATOM 557 N ILE A 464 -4.848 -10.068 -9.595 1.00 0.00 N ATOM 558 CA ILE A 464 -3.997 -9.768 -10.781 1.00 0.00 C ATOM 559 C ILE A 464 -3.773 -8.259 -10.884 1.00 0.00 C ATOM 560 O ILE A 464 -2.699 -7.801 -11.219 1.00 0.00 O ATOM 561 CB ILE A 464 -4.692 -10.267 -12.048 1.00 0.00 C ATOM 562 CG1 ILE A 464 -4.882 -11.781 -11.962 1.00 0.00 C ATOM 563 CG2 ILE A 464 -3.831 -9.931 -13.267 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.735 -12.257 -13.139 1.00 0.00 C ATOM 0 H ILE A 464 -5.638 -10.689 -9.773 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.036 -10.270 -10.671 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.664 -9.783 -12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -3.913 -12.281 -11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.364 -12.045 -11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.326 -10.286 -14.171 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.694 -8.851 -13.329 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -2.859 -10.415 -13.171 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -5.870 -13.337 -13.077 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.708 -11.767 -13.105 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.235 -12.007 -14.075 1.00 0.00 H new ATOM 576 N ASP A 465 -4.781 -7.483 -10.600 1.00 0.00 N ATOM 577 CA ASP A 465 -4.629 -6.003 -10.684 1.00 0.00 C ATOM 578 C ASP A 465 -3.711 -5.521 -9.560 1.00 0.00 C ATOM 579 O ASP A 465 -2.909 -4.627 -9.740 1.00 0.00 O ATOM 580 CB ASP A 465 -6.000 -5.338 -10.547 1.00 0.00 C ATOM 581 CG ASP A 465 -6.851 -5.670 -11.774 1.00 0.00 C ATOM 582 OD1 ASP A 465 -6.296 -6.174 -12.738 1.00 0.00 O ATOM 583 OD2 ASP A 465 -8.044 -5.416 -11.729 1.00 0.00 O ATOM 0 H ASP A 465 -5.704 -7.809 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 465 -4.194 -5.737 -11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.497 -5.686 -9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -5.885 -4.258 -10.452 1.00 0.00 H new ATOM 588 N ASP A 466 -3.820 -6.110 -8.403 1.00 0.00 N ATOM 589 CA ASP A 466 -2.950 -5.689 -7.270 1.00 0.00 C ATOM 590 C ASP A 466 -1.502 -6.075 -7.577 1.00 0.00 C ATOM 591 O ASP A 466 -0.591 -5.287 -7.416 1.00 0.00 O ATOM 592 CB ASP A 466 -3.405 -6.388 -5.988 1.00 0.00 C ATOM 593 CG ASP A 466 -4.790 -5.874 -5.590 1.00 0.00 C ATOM 594 OD1 ASP A 466 -5.212 -4.875 -6.150 1.00 0.00 O ATOM 595 OD2 ASP A 466 -5.406 -6.490 -4.736 1.00 0.00 O ATOM 0 H ASP A 466 -4.473 -6.864 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 466 -3.021 -4.610 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -3.436 -7.467 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.691 -6.200 -5.186 1.00 0.00 H new ATOM 600 N LEU A 467 -1.284 -7.282 -8.026 1.00 0.00 N ATOM 601 CA LEU A 467 0.104 -7.716 -8.351 1.00 0.00 C ATOM 602 C LEU A 467 0.642 -6.865 -9.504 1.00 0.00 C ATOM 603 O LEU A 467 1.824 -6.600 -9.592 1.00 0.00 O ATOM 604 CB LEU A 467 0.097 -9.189 -8.769 1.00 0.00 C ATOM 605 CG LEU A 467 -0.413 -10.054 -7.613 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.031 -11.514 -7.867 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.219 -9.585 -6.299 1.00 0.00 C ATOM 0 H LEU A 467 -2.007 -7.985 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 467 0.739 -7.591 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.538 -9.325 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.102 -9.501 -9.053 1.00 0.00 H new ATOM 0 HG LEU A 467 -1.497 -9.964 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.393 -12.133 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.481 -11.851 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 467 1.053 -11.600 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.146 -10.203 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 467 1.303 -9.673 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.050 -8.544 -6.117 1.00 0.00 H new ATOM 619 N ALA A 468 -0.219 -6.436 -10.387 1.00 0.00 N ATOM 620 CA ALA A 468 0.242 -5.602 -11.533 1.00 0.00 C ATOM 621 C ALA A 468 1.227 -4.548 -11.028 1.00 0.00 C ATOM 622 O ALA A 468 2.151 -4.166 -11.718 1.00 0.00 O ATOM 623 CB ALA A 468 -0.960 -4.911 -12.179 1.00 0.00 C ATOM 0 H ALA A 468 -1.221 -6.627 -10.364 1.00 0.00 H new ATOM 0 HA ALA A 468 0.733 -6.236 -12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.622 -4.301 -13.017 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.663 -5.663 -12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.453 -4.275 -11.443 1.00 0.00 H new ATOM 629 N ASP A 469 1.038 -4.078 -9.827 1.00 0.00 N ATOM 630 CA ASP A 469 1.965 -3.052 -9.273 1.00 0.00 C ATOM 631 C ASP A 469 3.376 -3.634 -9.208 1.00 0.00 C ATOM 632 O ASP A 469 4.357 -2.927 -9.325 1.00 0.00 O ATOM 633 CB ASP A 469 1.510 -2.658 -7.867 1.00 0.00 C ATOM 634 CG ASP A 469 0.155 -1.952 -7.947 1.00 0.00 C ATOM 635 OD1 ASP A 469 -0.226 -1.567 -9.040 1.00 0.00 O ATOM 636 OD2 ASP A 469 -0.479 -1.809 -6.915 1.00 0.00 O ATOM 0 H ASP A 469 0.281 -4.360 -9.204 1.00 0.00 H new ATOM 0 HA ASP A 469 1.961 -2.170 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 469 1.434 -3.544 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 469 2.247 -2.001 -7.406 1.00 0.00 H new ATOM 641 N ILE A 470 3.486 -4.921 -9.023 1.00 0.00 N ATOM 642 CA ILE A 470 4.831 -5.554 -8.952 1.00 0.00 C ATOM 643 C ILE A 470 5.500 -5.489 -10.327 1.00 0.00 C ATOM 644 O ILE A 470 4.864 -5.212 -11.324 1.00 0.00 O ATOM 645 CB ILE A 470 4.683 -7.017 -8.529 1.00 0.00 C ATOM 646 CG1 ILE A 470 3.746 -7.106 -7.326 1.00 0.00 C ATOM 647 CG2 ILE A 470 6.054 -7.578 -8.144 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.249 -6.169 -6.228 1.00 0.00 C ATOM 0 H ILE A 470 2.700 -5.562 -8.918 1.00 0.00 H new ATOM 0 HA ILE A 470 5.444 -5.023 -8.224 1.00 0.00 H new ATOM 0 HB ILE A 470 4.271 -7.594 -9.357 1.00 0.00 H new ATOM 0 HG12 ILE A 470 2.732 -6.832 -7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 470 3.705 -8.131 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 470 5.949 -8.620 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.727 -7.514 -8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.464 -7.000 -7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 470 3.584 -6.228 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.255 -6.464 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.267 -5.146 -6.603 1.00 0.00 H new ATOM 660 N GLU A 471 6.777 -5.745 -10.386 1.00 0.00 N ATOM 661 CA GLU A 471 7.484 -5.699 -11.697 1.00 0.00 C ATOM 662 C GLU A 471 7.796 -7.124 -12.159 1.00 0.00 C ATOM 663 O GLU A 471 8.168 -7.975 -11.376 1.00 0.00 O ATOM 664 CB GLU A 471 8.787 -4.912 -11.550 1.00 0.00 C ATOM 665 CG GLU A 471 9.423 -4.723 -12.929 1.00 0.00 C ATOM 666 CD GLU A 471 10.761 -3.998 -12.779 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.123 -3.689 -11.656 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.401 -3.762 -13.791 1.00 0.00 O ATOM 0 H GLU A 471 7.361 -5.984 -9.585 1.00 0.00 H new ATOM 0 HA GLU A 471 6.848 -5.209 -12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.590 -3.943 -11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.473 -5.443 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.573 -5.691 -13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.757 -4.149 -13.573 1.00 0.00 H new ATOM 675 N GLY A 472 7.645 -7.390 -13.428 1.00 0.00 N ATOM 676 CA GLY A 472 7.932 -8.759 -13.941 1.00 0.00 C ATOM 677 C GLY A 472 6.658 -9.602 -13.882 1.00 0.00 C ATOM 678 O GLY A 472 6.678 -10.792 -14.130 1.00 0.00 O ATOM 0 H GLY A 472 7.336 -6.719 -14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 472 8.298 -8.706 -14.966 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.717 -9.225 -13.346 1.00 0.00 H new ATOM 682 N LEU A 473 5.548 -8.998 -13.556 1.00 0.00 N ATOM 683 CA LEU A 473 4.277 -9.771 -13.482 1.00 0.00 C ATOM 684 C LEU A 473 3.304 -9.254 -14.543 1.00 0.00 C ATOM 685 O LEU A 473 3.210 -8.067 -14.791 1.00 0.00 O ATOM 686 CB LEU A 473 3.658 -9.605 -12.092 1.00 0.00 C ATOM 687 CG LEU A 473 4.180 -10.710 -11.170 1.00 0.00 C ATOM 688 CD1 LEU A 473 3.807 -10.387 -9.721 1.00 0.00 C ATOM 689 CD2 LEU A 473 3.557 -12.048 -11.571 1.00 0.00 C ATOM 0 H LEU A 473 5.467 -8.005 -13.338 1.00 0.00 H new ATOM 0 HA LEU A 473 4.482 -10.826 -13.662 1.00 0.00 H new ATOM 0 HB2 LEU A 473 3.910 -8.626 -11.684 1.00 0.00 H new ATOM 0 HB3 LEU A 473 2.571 -9.653 -12.157 1.00 0.00 H new ATOM 0 HG LEU A 473 5.264 -10.773 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 473 4.179 -11.174 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 473 4.253 -9.435 -9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 473 2.723 -10.322 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 473 3.929 -12.834 -10.914 1.00 0.00 H new ATOM 0 HD22 LEU A 473 2.472 -11.985 -11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 473 3.825 -12.280 -12.602 1.00 0.00 H new ATOM 701 N THR A 474 2.579 -10.137 -15.174 1.00 0.00 N ATOM 702 CA THR A 474 1.613 -9.700 -16.223 1.00 0.00 C ATOM 703 C THR A 474 0.185 -9.977 -15.749 1.00 0.00 C ATOM 704 O THR A 474 -0.035 -10.693 -14.795 1.00 0.00 O ATOM 705 CB THR A 474 1.879 -10.475 -17.515 1.00 0.00 C ATOM 706 OG1 THR A 474 2.867 -11.467 -17.273 1.00 0.00 O ATOM 707 CG2 THR A 474 2.373 -9.512 -18.596 1.00 0.00 C ATOM 0 H THR A 474 2.614 -11.143 -15.009 1.00 0.00 H new ATOM 0 HA THR A 474 1.735 -8.632 -16.407 1.00 0.00 H new ATOM 0 HB THR A 474 0.958 -10.952 -17.851 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.038 -11.966 -18.099 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.562 -10.064 -19.516 1.00 0.00 H new ATOM 0 HG22 THR A 474 1.615 -8.751 -18.779 1.00 0.00 H new ATOM 0 HG23 THR A 474 3.294 -9.034 -18.264 1.00 0.00 H new ATOM 715 N ASP A 475 -0.789 -9.414 -16.414 1.00 0.00 N ATOM 716 CA ASP A 475 -2.204 -9.643 -16.005 1.00 0.00 C ATOM 717 C ASP A 475 -2.522 -11.138 -16.074 1.00 0.00 C ATOM 718 O ASP A 475 -3.029 -11.718 -15.134 1.00 0.00 O ATOM 719 CB ASP A 475 -3.135 -8.881 -16.949 1.00 0.00 C ATOM 720 CG ASP A 475 -2.982 -7.377 -16.711 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.328 -7.015 -15.747 1.00 0.00 O ATOM 722 OD2 ASP A 475 -3.522 -6.615 -17.495 1.00 0.00 O ATOM 0 H ASP A 475 -0.665 -8.805 -17.223 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.348 -9.289 -14.984 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -2.897 -9.122 -17.985 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -4.169 -9.184 -16.781 1.00 0.00 H new ATOM 727 N GLU A 476 -2.228 -11.766 -17.180 1.00 0.00 N ATOM 728 CA GLU A 476 -2.516 -13.222 -17.309 1.00 0.00 C ATOM 729 C GLU A 476 -1.536 -14.013 -16.440 1.00 0.00 C ATOM 730 O GLU A 476 -1.911 -14.952 -15.765 1.00 0.00 O ATOM 731 CB GLU A 476 -2.361 -13.645 -18.770 1.00 0.00 C ATOM 732 CG GLU A 476 -3.405 -12.920 -19.623 1.00 0.00 C ATOM 733 CD GLU A 476 -4.808 -13.324 -19.168 1.00 0.00 C ATOM 734 OE1 GLU A 476 -4.922 -14.322 -18.475 1.00 0.00 O ATOM 735 OE2 GLU A 476 -5.746 -12.628 -19.519 1.00 0.00 O ATOM 0 H GLU A 476 -1.801 -11.334 -17.999 1.00 0.00 H new ATOM 0 HA GLU A 476 -3.536 -13.422 -16.981 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -1.358 -13.408 -19.124 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -2.485 -14.724 -18.863 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -3.279 -11.841 -19.532 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -3.267 -13.169 -20.675 1.00 0.00 H new ATOM 742 N LYS A 477 -0.285 -13.641 -16.446 1.00 0.00 N ATOM 743 CA LYS A 477 0.713 -14.371 -15.617 1.00 0.00 C ATOM 744 C LYS A 477 0.316 -14.268 -14.145 1.00 0.00 C ATOM 745 O LYS A 477 0.383 -15.228 -13.403 1.00 0.00 O ATOM 746 CB LYS A 477 2.099 -13.755 -15.820 1.00 0.00 C ATOM 747 CG LYS A 477 3.147 -14.603 -15.099 1.00 0.00 C ATOM 748 CD LYS A 477 4.530 -13.977 -15.293 1.00 0.00 C ATOM 749 CE LYS A 477 5.591 -14.877 -14.655 1.00 0.00 C ATOM 750 NZ LYS A 477 6.499 -15.401 -15.714 1.00 0.00 N ATOM 0 H LYS A 477 0.088 -12.863 -16.990 1.00 0.00 H new ATOM 0 HA LYS A 477 0.740 -15.419 -15.916 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.331 -13.699 -16.884 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.115 -12.735 -15.436 1.00 0.00 H new ATOM 0 HG2 LYS A 477 2.911 -14.667 -14.037 1.00 0.00 H new ATOM 0 HG3 LYS A 477 3.138 -15.621 -15.489 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.737 -13.849 -16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.559 -12.986 -14.841 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.163 -14.316 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.114 -15.703 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 7.220 -16.013 -15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 5.947 -15.950 -16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 6.964 -14.606 -16.197 1.00 0.00 H new ATOM 764 N ALA A 478 -0.108 -13.112 -13.719 1.00 0.00 N ATOM 765 CA ALA A 478 -0.520 -12.950 -12.297 1.00 0.00 C ATOM 766 C ALA A 478 -1.738 -13.832 -12.028 1.00 0.00 C ATOM 767 O ALA A 478 -1.865 -14.434 -10.980 1.00 0.00 O ATOM 768 CB ALA A 478 -0.880 -11.487 -12.026 1.00 0.00 C ATOM 0 H ALA A 478 -0.187 -12.273 -14.293 1.00 0.00 H new ATOM 0 HA ALA A 478 0.301 -13.243 -11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.181 -11.373 -10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.013 -10.856 -12.224 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -1.703 -11.188 -12.676 1.00 0.00 H new ATOM 774 N GLY A 479 -2.635 -13.918 -12.972 1.00 0.00 N ATOM 775 CA GLY A 479 -3.842 -14.765 -12.778 1.00 0.00 C ATOM 776 C GLY A 479 -3.407 -16.202 -12.494 1.00 0.00 C ATOM 777 O GLY A 479 -4.013 -16.901 -11.707 1.00 0.00 O ATOM 0 H GLY A 479 -2.582 -13.437 -13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.440 -14.383 -11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.471 -14.732 -13.668 1.00 0.00 H new ATOM 781 N ALA A 480 -2.356 -16.645 -13.127 1.00 0.00 N ATOM 782 CA ALA A 480 -1.872 -18.036 -12.892 1.00 0.00 C ATOM 783 C ALA A 480 -1.143 -18.095 -11.550 1.00 0.00 C ATOM 784 O ALA A 480 -1.543 -18.803 -10.647 1.00 0.00 O ATOM 785 CB ALA A 480 -0.911 -18.438 -14.012 1.00 0.00 C ATOM 0 H ALA A 480 -1.810 -16.104 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.720 -18.721 -12.879 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -0.557 -19.455 -13.840 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.429 -18.391 -14.970 1.00 0.00 H new ATOM 0 HB3 ALA A 480 -0.061 -17.755 -14.025 1.00 0.00 H new ATOM 791 N LEU A 481 -0.079 -17.351 -11.407 1.00 0.00 N ATOM 792 CA LEU A 481 0.667 -17.363 -10.119 1.00 0.00 C ATOM 793 C LEU A 481 -0.326 -17.205 -8.969 1.00 0.00 C ATOM 794 O LEU A 481 -0.341 -17.981 -8.034 1.00 0.00 O ATOM 795 CB LEU A 481 1.664 -16.202 -10.095 1.00 0.00 C ATOM 796 CG LEU A 481 2.910 -16.585 -10.894 1.00 0.00 C ATOM 797 CD1 LEU A 481 2.671 -16.294 -12.376 1.00 0.00 C ATOM 798 CD2 LEU A 481 4.104 -15.767 -10.399 1.00 0.00 C ATOM 0 H LEU A 481 0.304 -16.737 -12.126 1.00 0.00 H new ATOM 0 HA LEU A 481 1.207 -18.304 -10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.208 -15.308 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.937 -15.964 -9.067 1.00 0.00 H new ATOM 0 HG LEU A 481 3.118 -17.647 -10.760 1.00 0.00 H new ATOM 0 HD11 LEU A 481 3.558 -16.566 -12.948 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.819 -16.876 -12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 481 2.465 -15.232 -12.510 1.00 0.00 H new ATOM 0 HD21 LEU A 481 4.993 -16.040 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 481 3.898 -14.705 -10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 481 4.273 -15.973 -9.342 1.00 0.00 H new ATOM 810 N ILE A 482 -1.162 -16.205 -9.036 1.00 0.00 N ATOM 811 CA ILE A 482 -2.164 -15.996 -7.955 1.00 0.00 C ATOM 812 C ILE A 482 -3.081 -17.214 -7.879 1.00 0.00 C ATOM 813 O ILE A 482 -3.521 -17.611 -6.818 1.00 0.00 O ATOM 814 CB ILE A 482 -2.995 -14.754 -8.274 1.00 0.00 C ATOM 815 CG1 ILE A 482 -2.099 -13.518 -8.250 1.00 0.00 C ATOM 816 CG2 ILE A 482 -4.102 -14.600 -7.231 1.00 0.00 C ATOM 817 CD1 ILE A 482 -2.925 -12.294 -8.642 1.00 0.00 C ATOM 0 H ILE A 482 -1.194 -15.523 -9.794 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.656 -15.861 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.439 -14.860 -9.264 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.673 -13.382 -7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -1.265 -13.645 -8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.695 -13.714 -7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.744 -15.481 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -3.657 -14.495 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -2.291 -11.407 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.330 -12.434 -9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.744 -12.166 -7.935 1.00 0.00 H new ATOM 829 N MET A 483 -3.365 -17.814 -9.001 1.00 0.00 N ATOM 830 CA MET A 483 -4.246 -19.013 -9.002 1.00 0.00 C ATOM 831 C MET A 483 -3.448 -20.217 -8.506 1.00 0.00 C ATOM 832 O MET A 483 -3.984 -21.130 -7.912 1.00 0.00 O ATOM 833 CB MET A 483 -4.748 -19.278 -10.423 1.00 0.00 C ATOM 834 CG MET A 483 -6.132 -18.650 -10.598 1.00 0.00 C ATOM 835 SD MET A 483 -6.833 -19.169 -12.183 1.00 0.00 S ATOM 836 CE MET A 483 -5.484 -18.577 -13.231 1.00 0.00 C ATOM 0 H MET A 483 -3.024 -17.525 -9.918 1.00 0.00 H new ATOM 0 HA MET A 483 -5.100 -18.844 -8.347 1.00 0.00 H new ATOM 0 HB2 MET A 483 -4.052 -18.860 -11.150 1.00 0.00 H new ATOM 0 HB3 MET A 483 -4.797 -20.351 -10.609 1.00 0.00 H new ATOM 0 HG2 MET A 483 -6.787 -18.954 -9.781 1.00 0.00 H new ATOM 0 HG3 MET A 483 -6.058 -17.563 -10.559 1.00 0.00 H new ATOM 0 HE1 MET A 483 -5.702 -18.813 -14.273 1.00 0.00 H new ATOM 0 HE2 MET A 483 -5.382 -17.498 -13.117 1.00 0.00 H new ATOM 0 HE3 MET A 483 -4.554 -19.063 -12.936 1.00 0.00 H new ATOM 846 N ALA A 484 -2.162 -20.221 -8.738 1.00 0.00 N ATOM 847 CA ALA A 484 -1.324 -21.359 -8.272 1.00 0.00 C ATOM 848 C ALA A 484 -1.305 -21.367 -6.745 1.00 0.00 C ATOM 849 O ALA A 484 -1.430 -22.399 -6.115 1.00 0.00 O ATOM 850 CB ALA A 484 0.100 -21.197 -8.805 1.00 0.00 C ATOM 0 H ALA A 484 -1.657 -19.484 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 484 -1.737 -22.298 -8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.713 -22.031 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 484 0.081 -21.183 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.522 -20.262 -8.437 1.00 0.00 H new ATOM 856 N ALA A 485 -1.161 -20.219 -6.146 1.00 0.00 N ATOM 857 CA ALA A 485 -1.149 -20.151 -4.659 1.00 0.00 C ATOM 858 C ALA A 485 -2.573 -20.357 -4.147 1.00 0.00 C ATOM 859 O ALA A 485 -2.796 -20.961 -3.117 1.00 0.00 O ATOM 860 CB ALA A 485 -0.638 -18.781 -4.208 1.00 0.00 C ATOM 0 H ALA A 485 -1.051 -19.324 -6.622 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.493 -20.924 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.631 -18.736 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.374 -18.628 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.292 -18.002 -4.599 1.00 0.00 H new ATOM 866 N ARG A 486 -3.539 -19.863 -4.871 1.00 0.00 N ATOM 867 CA ARG A 486 -4.954 -20.031 -4.443 1.00 0.00 C ATOM 868 C ARG A 486 -5.337 -21.506 -4.564 1.00 0.00 C ATOM 869 O ARG A 486 -5.967 -22.071 -3.692 1.00 0.00 O ATOM 870 CB ARG A 486 -5.858 -19.192 -5.349 1.00 0.00 C ATOM 871 CG ARG A 486 -5.616 -17.709 -5.071 1.00 0.00 C ATOM 872 CD ARG A 486 -6.155 -16.871 -6.231 1.00 0.00 C ATOM 873 NE ARG A 486 -6.220 -15.439 -5.821 1.00 0.00 N ATOM 874 CZ ARG A 486 -7.293 -14.737 -6.064 1.00 0.00 C ATOM 875 NH1 ARG A 486 -8.081 -14.387 -5.084 1.00 0.00 N ATOM 876 NH2 ARG A 486 -7.576 -14.381 -7.288 1.00 0.00 N ATOM 0 H ARG A 486 -3.408 -19.349 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.072 -19.704 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.652 -19.416 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -6.904 -19.441 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -6.106 -17.419 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.550 -17.523 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -5.511 -16.982 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.146 -17.223 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 486 -5.425 -15.007 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -7.858 -14.662 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -8.919 -13.838 -5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -6.959 -14.652 -8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -8.414 -13.832 -7.479 1.00 0.00 H new ATOM 890 N ASN A 487 -4.955 -22.132 -5.642 1.00 0.00 N ATOM 891 CA ASN A 487 -5.288 -23.572 -5.830 1.00 0.00 C ATOM 892 C ASN A 487 -4.683 -24.392 -4.688 1.00 0.00 C ATOM 893 O ASN A 487 -5.295 -25.307 -4.174 1.00 0.00 O ATOM 894 CB ASN A 487 -4.712 -24.056 -7.163 1.00 0.00 C ATOM 895 CG ASN A 487 -5.481 -23.408 -8.318 1.00 0.00 C ATOM 896 OD1 ASN A 487 -6.692 -23.322 -8.282 1.00 0.00 O ATOM 897 ND2 ASN A 487 -4.824 -22.946 -9.348 1.00 0.00 N ATOM 0 H ASN A 487 -4.425 -21.707 -6.403 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.371 -23.697 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -3.654 -23.801 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -4.783 -25.142 -7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.328 -22.513 -10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -3.807 -23.018 -9.378 1.00 0.00 H new ATOM 904 N ILE A 488 -3.482 -24.074 -4.294 1.00 0.00 N ATOM 905 CA ILE A 488 -2.831 -24.837 -3.190 1.00 0.00 C ATOM 906 C ILE A 488 -3.377 -24.365 -1.843 1.00 0.00 C ATOM 907 O ILE A 488 -3.605 -25.150 -0.943 1.00 0.00 O ATOM 908 CB ILE A 488 -1.319 -24.609 -3.239 1.00 0.00 C ATOM 909 CG1 ILE A 488 -0.777 -25.075 -4.593 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.646 -25.403 -2.117 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.707 -24.719 -4.701 1.00 0.00 C ATOM 0 H ILE A 488 -2.922 -23.318 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 488 -3.044 -25.899 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.107 -23.548 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -0.912 -26.151 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.335 -24.602 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.431 -25.241 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -1.032 -25.070 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -0.857 -26.465 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 488 1.092 -25.051 -5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.829 -23.639 -4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.259 -25.212 -3.901 1.00 0.00 H new ATOM 923 N CYS A 489 -3.580 -23.088 -1.694 1.00 0.00 N ATOM 924 CA CYS A 489 -4.103 -22.558 -0.403 1.00 0.00 C ATOM 925 C CYS A 489 -5.603 -22.837 -0.297 1.00 0.00 C ATOM 926 O CYS A 489 -6.126 -23.081 0.772 1.00 0.00 O ATOM 927 CB CYS A 489 -3.864 -21.050 -0.344 1.00 0.00 C ATOM 928 SG CYS A 489 -2.157 -20.732 0.166 1.00 0.00 S ATOM 0 H CYS A 489 -3.406 -22.385 -2.412 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.587 -23.047 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -4.053 -20.602 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.557 -20.588 0.359 1.00 0.00 H new ATOM 0 HG CYS A 489 -1.805 -21.599 1.069 1.00 0.00 H new ATOM 934 N TRP A 490 -6.298 -22.801 -1.398 1.00 0.00 N ATOM 935 CA TRP A 490 -7.765 -23.062 -1.366 1.00 0.00 C ATOM 936 C TRP A 490 -8.029 -24.524 -1.721 1.00 0.00 C ATOM 937 O TRP A 490 -8.185 -25.366 -0.858 1.00 0.00 O ATOM 938 CB TRP A 490 -8.466 -22.157 -2.382 1.00 0.00 C ATOM 939 CG TRP A 490 -8.287 -20.726 -1.988 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.628 -20.297 -0.887 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.758 -19.530 -2.673 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.665 -18.915 -0.853 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.351 -18.395 -1.933 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.493 -19.323 -3.854 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.661 -17.100 -2.350 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.807 -18.021 -4.276 1.00 0.00 C ATOM 947 CH2 TRP A 490 -9.391 -16.912 -3.526 1.00 0.00 C ATOM 0 H TRP A 490 -5.914 -22.602 -2.322 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.150 -22.854 -0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.055 -22.325 -3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.527 -22.401 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.151 -20.931 -0.154 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -7.238 -18.349 -0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.818 -20.170 -4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -8.339 -16.249 -1.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -10.373 -17.873 -5.184 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.635 -15.913 -3.857 1.00 0.00 H new