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= -2.38 F(o=-3.8!,f=-2.4) USER MOD Single : A 447 LYS NZ :NH3+ 148:sc= -1.97! (180deg=-2.39!) USER MOD Single : A 454 CYS SG : rot -26:sc= 0.0059 USER MOD Single : A 455 THR OG1 : rot -53:sc= -2.47! USER MOD Single : A 462 GLN : amide:sc= 0.432 K(o=0.43,f=-1.4!) USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 MET CE :methyl -146:sc= -0.0858 (180deg=-0.667) USER MOD Single : A 487 ASN : amide:sc= -4.22! C(o=-4.2!,f=-3.8!) USER MOD Single : A 489 CYS SG : rot -40:sc= -13.2! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.768 -12.335 4.957 1.00 0.00 N ATOM 35 CA LYS A 429 10.314 -13.456 4.143 1.00 0.00 C ATOM 36 C LYS A 429 9.164 -14.313 3.614 1.00 0.00 C ATOM 37 O LYS A 429 8.183 -14.540 4.296 1.00 0.00 O ATOM 38 CB LYS A 429 11.236 -14.316 5.012 1.00 0.00 C ATOM 39 CG LYS A 429 10.403 -15.051 6.065 1.00 0.00 C ATOM 40 CD LYS A 429 11.320 -15.936 6.914 1.00 0.00 C ATOM 41 CE LYS A 429 11.545 -15.279 8.278 1.00 0.00 C ATOM 42 NZ LYS A 429 12.919 -15.594 8.762 1.00 0.00 N ATOM 0 HA LYS A 429 10.879 -13.052 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.773 -15.033 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 429 11.985 -13.690 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 429 9.883 -14.333 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 429 9.639 -15.659 5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 429 10.874 -16.922 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 429 12.274 -16.081 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 429 11.414 -14.200 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 429 10.805 -15.638 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 13.071 -15.147 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 13.028 -16.624 8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 13.618 -15.230 8.083 1.00 0.00 H new ATOM 56 N PRO A 430 9.289 -14.794 2.369 1.00 0.00 N ATOM 57 CA PRO A 430 8.262 -15.629 1.735 1.00 0.00 C ATOM 58 C PRO A 430 8.212 -17.030 2.352 1.00 0.00 C ATOM 59 O PRO A 430 9.224 -17.591 2.723 1.00 0.00 O ATOM 60 CB PRO A 430 8.719 -15.717 0.280 1.00 0.00 C ATOM 61 CG PRO A 430 10.195 -15.497 0.333 1.00 0.00 C ATOM 62 CD PRO A 430 10.445 -14.563 1.484 1.00 0.00 C ATOM 0 HA PRO A 430 7.262 -15.212 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.479 -16.688 -0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.228 -14.963 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 430 10.723 -16.440 0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.557 -15.068 -0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.386 -14.787 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.498 -13.525 1.155 1.00 0.00 H new ATOM 70 N ALA A 431 7.044 -17.599 2.467 1.00 0.00 N ATOM 71 CA ALA A 431 6.933 -18.961 3.061 1.00 0.00 C ATOM 72 C ALA A 431 7.433 -19.999 2.055 1.00 0.00 C ATOM 73 O ALA A 431 7.439 -19.769 0.861 1.00 0.00 O ATOM 74 CB ALA A 431 5.472 -19.248 3.411 1.00 0.00 C ATOM 0 H ALA A 431 6.161 -17.180 2.175 1.00 0.00 H new ATOM 0 HA ALA A 431 7.539 -19.013 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.391 -20.244 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.118 -18.509 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 431 4.864 -19.196 2.508 1.00 0.00 H new ATOM 80 N ASP A 432 7.852 -21.141 2.528 1.00 0.00 N ATOM 81 CA ASP A 432 8.353 -22.195 1.604 1.00 0.00 C ATOM 82 C ASP A 432 7.321 -22.447 0.503 1.00 0.00 C ATOM 83 O ASP A 432 7.665 -22.728 -0.628 1.00 0.00 O ATOM 84 CB ASP A 432 8.588 -23.489 2.388 1.00 0.00 C ATOM 85 CG ASP A 432 9.752 -23.293 3.363 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.430 -22.286 3.250 1.00 0.00 O ATOM 87 OD2 ASP A 432 9.943 -24.154 4.205 1.00 0.00 O ATOM 0 H ASP A 432 7.869 -21.389 3.517 1.00 0.00 H new ATOM 0 HA ASP A 432 9.289 -21.866 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 432 7.686 -23.765 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 432 8.808 -24.307 1.702 1.00 0.00 H new ATOM 92 N ASP A 433 6.059 -22.347 0.817 1.00 0.00 N ATOM 93 CA ASP A 433 5.020 -22.583 -0.224 1.00 0.00 C ATOM 94 C ASP A 433 5.196 -21.561 -1.346 1.00 0.00 C ATOM 95 O ASP A 433 5.112 -21.882 -2.514 1.00 0.00 O ATOM 96 CB ASP A 433 3.626 -22.434 0.392 1.00 0.00 C ATOM 97 CG ASP A 433 3.451 -23.457 1.516 1.00 0.00 C ATOM 98 OD1 ASP A 433 4.271 -24.358 1.602 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.500 -23.325 2.269 1.00 0.00 O ATOM 0 H ASP A 433 5.704 -22.113 1.744 1.00 0.00 H new ATOM 0 HA ASP A 433 5.126 -23.591 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.495 -21.424 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 433 2.862 -22.583 -0.371 1.00 0.00 H new ATOM 104 N LEU A 434 5.449 -20.330 -0.997 1.00 0.00 N ATOM 105 CA LEU A 434 5.643 -19.282 -2.036 1.00 0.00 C ATOM 106 C LEU A 434 7.048 -19.408 -2.617 1.00 0.00 C ATOM 107 O LEU A 434 7.253 -19.335 -3.812 1.00 0.00 O ATOM 108 CB LEU A 434 5.483 -17.904 -1.394 1.00 0.00 C ATOM 109 CG LEU A 434 5.073 -16.885 -2.458 1.00 0.00 C ATOM 110 CD1 LEU A 434 6.146 -16.825 -3.546 1.00 0.00 C ATOM 111 CD2 LEU A 434 3.739 -17.302 -3.080 1.00 0.00 C ATOM 0 H LEU A 434 5.530 -20.005 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 434 4.905 -19.405 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 434 4.731 -17.944 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.419 -17.599 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 434 4.966 -15.903 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 434 5.854 -16.099 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 434 7.096 -16.526 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.253 -17.807 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 434 3.448 -16.575 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 434 3.844 -18.284 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 434 2.974 -17.344 -2.305 1.00 0.00 H new ATOM 123 N LEU A 435 8.017 -19.596 -1.769 1.00 0.00 N ATOM 124 CA LEU A 435 9.421 -19.730 -2.247 1.00 0.00 C ATOM 125 C LEU A 435 9.528 -20.914 -3.206 1.00 0.00 C ATOM 126 O LEU A 435 10.078 -20.808 -4.284 1.00 0.00 O ATOM 127 CB LEU A 435 10.343 -19.965 -1.047 1.00 0.00 C ATOM 128 CG LEU A 435 11.727 -19.373 -1.329 1.00 0.00 C ATOM 129 CD1 LEU A 435 11.584 -17.935 -1.833 1.00 0.00 C ATOM 130 CD2 LEU A 435 12.553 -19.376 -0.041 1.00 0.00 C ATOM 0 H LEU A 435 7.897 -19.663 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 435 9.715 -18.818 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 435 9.917 -19.507 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 435 10.429 -21.033 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 435 12.226 -19.974 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 435 12.572 -17.519 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 435 10.996 -17.928 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.082 -17.332 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 435 13.539 -18.955 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 435 12.048 -18.776 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 435 12.661 -20.399 0.319 1.00 0.00 H new ATOM 142 N ASN A 436 9.011 -22.043 -2.814 1.00 0.00 N ATOM 143 CA ASN A 436 9.084 -23.244 -3.691 1.00 0.00 C ATOM 144 C ASN A 436 8.054 -23.127 -4.818 1.00 0.00 C ATOM 145 O ASN A 436 7.923 -24.010 -5.644 1.00 0.00 O ATOM 146 CB ASN A 436 8.786 -24.491 -2.860 1.00 0.00 C ATOM 147 CG ASN A 436 9.785 -24.584 -1.705 1.00 0.00 C ATOM 148 OD1 ASN A 436 9.360 -24.442 -0.481 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 10.965 -24.788 -1.921 1.00 0.00 N flip ATOM 0 H ASN A 436 8.539 -22.187 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 436 10.082 -23.317 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 436 7.768 -24.448 -2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 436 8.852 -25.382 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 436 11.296 -24.899 -2.879 1.00 0.00 H new ATOM 0 HD22 ASN A 436 11.623 -24.848 -1.144 1.00 0.00 H new ATOM 156 N LEU A 437 7.327 -22.047 -4.865 1.00 0.00 N ATOM 157 CA LEU A 437 6.315 -21.886 -5.948 1.00 0.00 C ATOM 158 C LEU A 437 7.041 -21.714 -7.284 1.00 0.00 C ATOM 159 O LEU A 437 7.765 -20.761 -7.492 1.00 0.00 O ATOM 160 CB LEU A 437 5.441 -20.658 -5.669 1.00 0.00 C ATOM 161 CG LEU A 437 4.240 -20.651 -6.621 1.00 0.00 C ATOM 162 CD1 LEU A 437 3.697 -22.073 -6.787 1.00 0.00 C ATOM 163 CD2 LEU A 437 3.139 -19.756 -6.047 1.00 0.00 C ATOM 0 H LEU A 437 7.388 -21.272 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 437 5.676 -22.768 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 437 5.097 -20.672 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 437 6.025 -19.747 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 437 4.557 -20.270 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.844 -22.060 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 437 4.477 -22.715 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 437 3.384 -22.458 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 437 2.285 -19.751 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.829 -20.139 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.518 -18.740 -5.933 1.00 0.00 H new ATOM 175 N GLU A 438 6.861 -22.638 -8.188 1.00 0.00 N ATOM 176 CA GLU A 438 7.549 -22.542 -9.508 1.00 0.00 C ATOM 177 C GLU A 438 7.111 -21.274 -10.247 1.00 0.00 C ATOM 178 O GLU A 438 7.819 -20.765 -11.092 1.00 0.00 O ATOM 179 CB GLU A 438 7.192 -23.767 -10.351 1.00 0.00 C ATOM 180 CG GLU A 438 7.855 -23.648 -11.722 1.00 0.00 C ATOM 181 CD GLU A 438 7.394 -24.807 -12.611 1.00 0.00 C ATOM 182 OE1 GLU A 438 6.511 -25.536 -12.189 1.00 0.00 O ATOM 183 OE2 GLU A 438 7.932 -24.945 -13.697 1.00 0.00 O ATOM 0 H GLU A 438 6.266 -23.458 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 438 8.626 -22.501 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 438 7.525 -24.676 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 438 6.110 -23.843 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 438 7.594 -22.695 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 438 8.940 -23.665 -11.617 1.00 0.00 H new ATOM 190 N GLY A 439 5.954 -20.759 -9.939 1.00 0.00 N ATOM 191 CA GLY A 439 5.487 -19.525 -10.633 1.00 0.00 C ATOM 192 C GLY A 439 6.160 -18.303 -10.007 1.00 0.00 C ATOM 193 O GLY A 439 6.332 -17.281 -10.641 1.00 0.00 O ATOM 0 H GLY A 439 5.314 -21.136 -9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 439 5.725 -19.580 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.403 -19.438 -10.553 1.00 0.00 H new ATOM 197 N VAL A 440 6.538 -18.400 -8.762 1.00 0.00 N ATOM 198 CA VAL A 440 7.194 -17.243 -8.088 1.00 0.00 C ATOM 199 C VAL A 440 8.704 -17.470 -8.015 1.00 0.00 C ATOM 200 O VAL A 440 9.173 -18.441 -7.455 1.00 0.00 O ATOM 201 CB VAL A 440 6.631 -17.093 -6.674 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.463 -16.070 -5.900 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.180 -16.617 -6.753 1.00 0.00 C ATOM 0 H VAL A 440 6.421 -19.231 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 440 6.997 -16.336 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 440 6.671 -18.054 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 440 7.062 -15.963 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.497 -16.409 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.423 -15.108 -6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.777 -16.510 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.140 -15.655 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.587 -17.346 -7.305 1.00 0.00 H new ATOM 213 N ASP A 441 9.470 -16.573 -8.574 1.00 0.00 N ATOM 214 CA ASP A 441 10.950 -16.727 -8.533 1.00 0.00 C ATOM 215 C ASP A 441 11.461 -16.233 -7.181 1.00 0.00 C ATOM 216 O ASP A 441 10.709 -15.735 -6.369 1.00 0.00 O ATOM 217 CB ASP A 441 11.580 -15.894 -9.653 1.00 0.00 C ATOM 218 CG ASP A 441 11.103 -16.417 -11.009 1.00 0.00 C ATOM 219 OD1 ASP A 441 10.581 -17.519 -11.048 1.00 0.00 O ATOM 220 OD2 ASP A 441 11.268 -15.706 -11.986 1.00 0.00 O ATOM 0 H ASP A 441 9.134 -15.740 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 441 11.218 -17.775 -8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 441 11.306 -14.845 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 441 12.667 -15.947 -9.593 1.00 0.00 H new ATOM 225 N ARG A 442 12.733 -16.361 -6.931 1.00 0.00 N ATOM 226 CA ARG A 442 13.280 -15.890 -5.631 1.00 0.00 C ATOM 227 C ARG A 442 12.961 -14.404 -5.476 1.00 0.00 C ATOM 228 O ARG A 442 12.563 -13.948 -4.423 1.00 0.00 O ATOM 229 CB ARG A 442 14.795 -16.100 -5.607 1.00 0.00 C ATOM 230 CG ARG A 442 15.391 -15.401 -4.385 1.00 0.00 C ATOM 231 CD ARG A 442 16.914 -15.556 -4.402 1.00 0.00 C ATOM 232 NE ARG A 442 17.266 -16.993 -4.577 1.00 0.00 N ATOM 233 CZ ARG A 442 18.320 -17.328 -5.270 1.00 0.00 C ATOM 234 NH1 ARG A 442 18.204 -17.611 -6.539 1.00 0.00 N ATOM 235 NH2 ARG A 442 19.489 -17.382 -4.694 1.00 0.00 N ATOM 0 H ARG A 442 13.416 -16.770 -7.569 1.00 0.00 H new ATOM 0 HA ARG A 442 12.832 -16.452 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 442 15.024 -17.165 -5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.242 -15.704 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.122 -14.345 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.981 -15.830 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 442 17.341 -14.965 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.339 -15.177 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 442 16.683 -17.716 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 442 17.290 -17.570 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 442 19.028 -17.873 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 442 19.579 -17.162 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 442 20.313 -17.644 -5.236 1.00 0.00 H new ATOM 249 N ASP A 443 13.135 -13.652 -6.524 1.00 0.00 N ATOM 250 CA ASP A 443 12.845 -12.193 -6.458 1.00 0.00 C ATOM 251 C ASP A 443 11.368 -11.979 -6.120 1.00 0.00 C ATOM 252 O ASP A 443 11.034 -11.282 -5.182 1.00 0.00 O ATOM 253 CB ASP A 443 13.152 -11.550 -7.808 1.00 0.00 C ATOM 254 CG ASP A 443 14.667 -11.516 -8.024 1.00 0.00 C ATOM 255 OD1 ASP A 443 15.385 -11.802 -7.080 1.00 0.00 O ATOM 256 OD2 ASP A 443 15.082 -11.206 -9.128 1.00 0.00 O ATOM 0 H ASP A 443 13.467 -13.986 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 443 13.465 -11.737 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 443 12.672 -12.113 -8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 443 12.746 -10.539 -7.842 1.00 0.00 H new ATOM 261 N LEU A 444 10.478 -12.580 -6.865 1.00 0.00 N ATOM 262 CA LEU A 444 9.031 -12.404 -6.562 1.00 0.00 C ATOM 263 C LEU A 444 8.802 -12.849 -5.127 1.00 0.00 C ATOM 264 O LEU A 444 7.959 -12.330 -4.423 1.00 0.00 O ATOM 265 CB LEU A 444 8.187 -13.260 -7.507 1.00 0.00 C ATOM 266 CG LEU A 444 8.175 -12.620 -8.893 1.00 0.00 C ATOM 267 CD1 LEU A 444 9.614 -12.460 -9.379 1.00 0.00 C ATOM 268 CD2 LEU A 444 7.401 -13.514 -9.863 1.00 0.00 C ATOM 0 H LEU A 444 10.689 -13.179 -7.663 1.00 0.00 H new ATOM 0 HA LEU A 444 8.742 -11.361 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 444 8.595 -14.269 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 444 7.170 -13.348 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 444 7.693 -11.644 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 444 9.615 -12.003 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 444 10.164 -11.824 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 444 10.092 -13.438 -9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 444 7.393 -13.056 -10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 444 7.881 -14.491 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 444 6.377 -13.633 -9.510 1.00 0.00 H new ATOM 280 N ALA A 445 9.572 -13.802 -4.689 1.00 0.00 N ATOM 281 CA ALA A 445 9.435 -14.286 -3.290 1.00 0.00 C ATOM 282 C ALA A 445 9.631 -13.098 -2.351 1.00 0.00 C ATOM 283 O ALA A 445 8.921 -12.932 -1.378 1.00 0.00 O ATOM 284 CB ALA A 445 10.500 -15.347 -3.008 1.00 0.00 C ATOM 0 H ALA A 445 10.292 -14.268 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 445 8.450 -14.727 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 445 10.398 -15.701 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 445 10.371 -16.183 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.491 -14.914 -3.146 1.00 0.00 H new ATOM 290 N PHE A 446 10.588 -12.262 -2.647 1.00 0.00 N ATOM 291 CA PHE A 446 10.831 -11.072 -1.788 1.00 0.00 C ATOM 292 C PHE A 446 9.811 -9.993 -2.144 1.00 0.00 C ATOM 293 O PHE A 446 9.281 -9.315 -1.287 1.00 0.00 O ATOM 294 CB PHE A 446 12.244 -10.543 -2.039 1.00 0.00 C ATOM 295 CG PHE A 446 13.253 -11.498 -1.450 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.473 -11.520 -0.068 1.00 0.00 C ATOM 297 CD2 PHE A 446 13.970 -12.362 -2.286 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.410 -12.404 0.478 1.00 0.00 C ATOM 299 CE2 PHE A 446 14.907 -13.247 -1.741 1.00 0.00 C ATOM 300 CZ PHE A 446 15.128 -13.267 -0.358 1.00 0.00 C ATOM 0 H PHE A 446 11.212 -12.353 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 446 10.731 -11.344 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.416 -10.430 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.358 -9.556 -1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 446 12.919 -10.854 0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 446 13.800 -12.346 -3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.579 -12.420 1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.459 -13.914 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 446 15.852 -13.948 0.063 1.00 0.00 H new ATOM 310 N LYS A 447 9.525 -9.839 -3.409 1.00 0.00 N ATOM 311 CA LYS A 447 8.531 -8.816 -3.832 1.00 0.00 C ATOM 312 C LYS A 447 7.163 -9.187 -3.259 1.00 0.00 C ATOM 313 O LYS A 447 6.390 -8.337 -2.862 1.00 0.00 O ATOM 314 CB LYS A 447 8.456 -8.783 -5.360 1.00 0.00 C ATOM 315 CG LYS A 447 9.710 -8.106 -5.919 1.00 0.00 C ATOM 316 CD LYS A 447 9.550 -7.899 -7.427 1.00 0.00 C ATOM 317 CE LYS A 447 10.861 -7.370 -8.012 1.00 0.00 C ATOM 318 NZ LYS A 447 11.891 -8.447 -7.977 1.00 0.00 N ATOM 0 H LYS A 447 9.939 -10.380 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 447 8.829 -7.834 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 447 8.372 -9.796 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 447 7.565 -8.242 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 447 9.870 -7.148 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 447 10.588 -8.719 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 447 9.279 -8.839 -7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 447 8.741 -7.195 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 447 10.705 -7.034 -9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 447 11.203 -6.506 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 12.536 -8.337 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 12.432 -8.381 -7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 11.425 -9.375 -8.030 1.00 0.00 H new ATOM 332 N LEU A 448 6.864 -10.456 -3.206 1.00 0.00 N ATOM 333 CA LEU A 448 5.553 -10.895 -2.654 1.00 0.00 C ATOM 334 C LEU A 448 5.623 -10.885 -1.126 1.00 0.00 C ATOM 335 O LEU A 448 4.725 -10.416 -0.455 1.00 0.00 O ATOM 336 CB LEU A 448 5.245 -12.312 -3.145 1.00 0.00 C ATOM 337 CG LEU A 448 3.766 -12.629 -2.913 1.00 0.00 C ATOM 338 CD1 LEU A 448 3.053 -12.744 -4.263 1.00 0.00 C ATOM 339 CD2 LEU A 448 3.640 -13.952 -2.154 1.00 0.00 C ATOM 0 H LEU A 448 7.474 -11.210 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 448 4.766 -10.218 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.484 -12.400 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 448 5.869 -13.034 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 448 3.310 -11.831 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 448 1.999 -12.970 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 448 3.143 -11.802 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 448 3.509 -13.543 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.587 -14.178 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 448 4.095 -14.752 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 448 4.149 -13.870 -1.193 1.00 0.00 H new ATOM 351 N ALA A 449 6.687 -11.398 -0.570 1.00 0.00 N ATOM 352 CA ALA A 449 6.819 -11.418 0.913 1.00 0.00 C ATOM 353 C ALA A 449 6.938 -9.984 1.433 1.00 0.00 C ATOM 354 O ALA A 449 6.447 -9.654 2.495 1.00 0.00 O ATOM 355 CB ALA A 449 8.069 -12.212 1.302 1.00 0.00 C ATOM 0 H ALA A 449 7.471 -11.804 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 449 5.940 -11.890 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.167 -12.228 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 449 7.982 -13.233 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 449 8.950 -11.741 0.865 1.00 0.00 H new ATOM 361 N ALA A 450 7.588 -9.129 0.693 1.00 0.00 N ATOM 362 CA ALA A 450 7.743 -7.716 1.143 1.00 0.00 C ATOM 363 C ALA A 450 6.395 -6.998 1.060 1.00 0.00 C ATOM 364 O ALA A 450 6.192 -5.968 1.671 1.00 0.00 O ATOM 365 CB ALA A 450 8.754 -7.004 0.242 1.00 0.00 C ATOM 0 H ALA A 450 8.019 -9.348 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 450 8.097 -7.702 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 450 8.869 -5.971 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 450 9.716 -7.513 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.398 -7.021 -0.788 1.00 0.00 H new ATOM 371 N ARG A 451 5.470 -7.530 0.308 1.00 0.00 N ATOM 372 CA ARG A 451 4.140 -6.870 0.189 1.00 0.00 C ATOM 373 C ARG A 451 3.204 -7.408 1.273 1.00 0.00 C ATOM 374 O ARG A 451 2.000 -7.264 1.195 1.00 0.00 O ATOM 375 CB ARG A 451 3.543 -7.159 -1.190 1.00 0.00 C ATOM 376 CG ARG A 451 2.380 -6.199 -1.450 1.00 0.00 C ATOM 377 CD ARG A 451 1.814 -6.446 -2.850 1.00 0.00 C ATOM 378 NE ARG A 451 0.628 -5.569 -3.069 1.00 0.00 N ATOM 379 CZ ARG A 451 0.792 -4.333 -3.457 1.00 0.00 C ATOM 380 NH1 ARG A 451 0.411 -3.969 -4.651 1.00 0.00 N ATOM 381 NH2 ARG A 451 1.333 -3.460 -2.651 1.00 0.00 N ATOM 0 H ARG A 451 5.578 -8.391 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 451 4.259 -5.794 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 451 4.305 -7.042 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 451 3.196 -8.191 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 451 1.601 -6.344 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 451 2.720 -5.167 -1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 451 2.575 -6.241 -3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 451 1.531 -7.493 -2.960 1.00 0.00 H new ATOM 0 HE ARG A 451 -0.312 -5.935 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 451 -0.014 -4.650 -5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 451 0.539 -3.004 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 451 1.628 -3.743 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 451 1.460 -2.495 -2.956 1.00 0.00 H new ATOM 395 N GLY A 452 3.748 -8.028 2.283 1.00 0.00 N ATOM 396 CA GLY A 452 2.888 -8.577 3.370 1.00 0.00 C ATOM 397 C GLY A 452 2.510 -10.021 3.036 1.00 0.00 C ATOM 398 O GLY A 452 1.921 -10.720 3.836 1.00 0.00 O ATOM 0 H GLY A 452 4.750 -8.178 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.417 -8.539 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 452 1.989 -7.970 3.480 1.00 0.00 H new ATOM 402 N VAL A 453 2.845 -10.473 1.858 1.00 0.00 N ATOM 403 CA VAL A 453 2.507 -11.871 1.473 1.00 0.00 C ATOM 404 C VAL A 453 3.668 -12.791 1.853 1.00 0.00 C ATOM 405 O VAL A 453 4.393 -13.276 1.007 1.00 0.00 O ATOM 406 CB VAL A 453 2.267 -11.945 -0.038 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.144 -12.940 -0.328 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.865 -10.565 -0.564 1.00 0.00 C ATOM 0 H VAL A 453 3.338 -9.934 1.146 1.00 0.00 H new ATOM 0 HA VAL A 453 1.603 -12.186 1.995 1.00 0.00 H new ATOM 0 HB VAL A 453 3.183 -12.270 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 453 0.973 -12.993 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 453 1.426 -13.925 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.231 -12.613 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.695 -10.621 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.951 -10.239 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.663 -9.851 -0.359 1.00 0.00 H new ATOM 418 N CYS A 454 3.853 -13.032 3.122 1.00 0.00 N ATOM 419 CA CYS A 454 4.969 -13.916 3.557 1.00 0.00 C ATOM 420 C CYS A 454 4.544 -15.379 3.431 1.00 0.00 C ATOM 421 O CYS A 454 5.341 -16.282 3.585 1.00 0.00 O ATOM 422 CB CYS A 454 5.325 -13.616 5.013 1.00 0.00 C ATOM 423 SG CYS A 454 5.539 -11.831 5.227 1.00 0.00 S ATOM 0 H CYS A 454 3.279 -12.654 3.876 1.00 0.00 H new ATOM 0 HA CYS A 454 5.838 -13.733 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.538 -13.980 5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.241 -14.139 5.290 1.00 0.00 H new ATOM 0 HG CYS A 454 5.886 -11.297 4.094 1.00 0.00 H new ATOM 429 N THR A 455 3.292 -15.625 3.156 1.00 0.00 N ATOM 430 CA THR A 455 2.829 -17.034 3.025 1.00 0.00 C ATOM 431 C THR A 455 2.023 -17.191 1.736 1.00 0.00 C ATOM 432 O THR A 455 1.331 -16.289 1.310 1.00 0.00 O ATOM 433 CB THR A 455 1.949 -17.400 4.224 1.00 0.00 C ATOM 434 OG1 THR A 455 1.181 -16.270 4.608 1.00 0.00 O ATOM 435 CG2 THR A 455 2.833 -17.841 5.391 1.00 0.00 C ATOM 0 H THR A 455 2.573 -14.914 3.017 1.00 0.00 H new ATOM 0 HA THR A 455 3.695 -17.696 2.995 1.00 0.00 H new ATOM 0 HB THR A 455 1.281 -18.216 3.950 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.775 -15.503 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.206 -18.101 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.421 -18.710 5.094 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.503 -17.027 5.668 1.00 0.00 H new ATOM 443 N LEU A 456 2.105 -18.335 1.115 1.00 0.00 N ATOM 444 CA LEU A 456 1.342 -18.551 -0.142 1.00 0.00 C ATOM 445 C LEU A 456 -0.122 -18.180 0.093 1.00 0.00 C ATOM 446 O LEU A 456 -0.770 -17.597 -0.754 1.00 0.00 O ATOM 447 CB LEU A 456 1.441 -20.020 -0.553 1.00 0.00 C ATOM 448 CG LEU A 456 0.700 -20.227 -1.871 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.679 -20.088 -3.038 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.077 -21.622 -1.892 1.00 0.00 C ATOM 0 H LEU A 456 2.667 -19.128 1.425 1.00 0.00 H new ATOM 0 HA LEU A 456 1.755 -17.928 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.486 -20.309 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 456 1.013 -20.656 0.222 1.00 0.00 H new ATOM 0 HG LEU A 456 -0.085 -19.477 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 456 1.148 -20.236 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 456 2.122 -19.092 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.466 -20.836 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.452 -21.770 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 456 0.862 -22.372 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.623 -21.720 -1.063 1.00 0.00 H new ATOM 462 N GLU A 457 -0.646 -18.504 1.244 1.00 0.00 N ATOM 463 CA GLU A 457 -2.064 -18.159 1.540 1.00 0.00 C ATOM 464 C GLU A 457 -2.238 -16.646 1.425 1.00 0.00 C ATOM 465 O GLU A 457 -3.226 -16.159 0.911 1.00 0.00 O ATOM 466 CB GLU A 457 -2.411 -18.608 2.961 1.00 0.00 C ATOM 467 CG GLU A 457 -2.611 -20.125 2.986 1.00 0.00 C ATOM 468 CD GLU A 457 -2.989 -20.565 4.401 1.00 0.00 C ATOM 469 OE1 GLU A 457 -3.038 -19.711 5.271 1.00 0.00 O ATOM 470 OE2 GLU A 457 -3.222 -21.747 4.591 1.00 0.00 O ATOM 0 H GLU A 457 -0.153 -18.993 1.991 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.724 -18.662 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.613 -18.325 3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -3.317 -18.106 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -3.393 -20.411 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -1.698 -20.628 2.669 1.00 0.00 H new ATOM 477 N ASP A 458 -1.275 -15.901 1.888 1.00 0.00 N ATOM 478 CA ASP A 458 -1.371 -14.420 1.797 1.00 0.00 C ATOM 479 C ASP A 458 -1.470 -14.025 0.323 1.00 0.00 C ATOM 480 O ASP A 458 -2.123 -13.064 -0.033 1.00 0.00 O ATOM 481 CB ASP A 458 -0.124 -13.785 2.414 1.00 0.00 C ATOM 482 CG ASP A 458 -0.074 -14.107 3.909 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.085 -14.541 4.436 1.00 0.00 O ATOM 484 OD2 ASP A 458 0.974 -13.915 4.502 1.00 0.00 O ATOM 0 H ASP A 458 -0.425 -16.255 2.326 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.252 -14.072 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.771 -14.162 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -0.140 -12.705 2.264 1.00 0.00 H new ATOM 489 N LEU A 459 -0.827 -14.768 -0.537 1.00 0.00 N ATOM 490 CA LEU A 459 -0.883 -14.446 -1.990 1.00 0.00 C ATOM 491 C LEU A 459 -2.281 -14.771 -2.516 1.00 0.00 C ATOM 492 O LEU A 459 -2.784 -14.126 -3.414 1.00 0.00 O ATOM 493 CB LEU A 459 0.155 -15.283 -2.740 1.00 0.00 C ATOM 494 CG LEU A 459 0.029 -15.024 -4.243 1.00 0.00 C ATOM 495 CD1 LEU A 459 0.349 -13.558 -4.535 1.00 0.00 C ATOM 496 CD2 LEU A 459 1.015 -15.920 -4.997 1.00 0.00 C ATOM 0 H LEU A 459 -0.265 -15.584 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.668 -13.388 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.158 -15.028 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.006 -16.342 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 459 -0.988 -15.246 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 459 0.260 -13.372 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 459 -0.350 -12.919 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 459 1.366 -13.336 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 459 0.927 -15.737 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 459 2.031 -15.696 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 459 0.790 -16.966 -4.788 1.00 0.00 H new ATOM 508 N ALA A 460 -2.915 -15.762 -1.953 1.00 0.00 N ATOM 509 CA ALA A 460 -4.284 -16.127 -2.410 1.00 0.00 C ATOM 510 C ALA A 460 -5.219 -14.939 -2.184 1.00 0.00 C ATOM 511 O ALA A 460 -6.267 -14.834 -2.789 1.00 0.00 O ATOM 512 CB ALA A 460 -4.783 -17.330 -1.608 1.00 0.00 C ATOM 0 H ALA A 460 -2.543 -16.335 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 460 -4.264 -16.382 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.785 -17.599 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -4.111 -18.174 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.809 -17.075 -0.548 1.00 0.00 H new ATOM 518 N GLU A 461 -4.844 -14.044 -1.313 1.00 0.00 N ATOM 519 CA GLU A 461 -5.704 -12.860 -1.040 1.00 0.00 C ATOM 520 C GLU A 461 -5.292 -11.709 -1.958 1.00 0.00 C ATOM 521 O GLU A 461 -5.954 -10.693 -2.030 1.00 0.00 O ATOM 522 CB GLU A 461 -5.537 -12.436 0.419 1.00 0.00 C ATOM 523 CG GLU A 461 -6.484 -11.275 0.727 1.00 0.00 C ATOM 524 CD GLU A 461 -6.198 -10.744 2.132 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.293 -11.261 2.766 1.00 0.00 O ATOM 526 OE2 GLU A 461 -6.889 -9.829 2.552 1.00 0.00 O ATOM 0 H GLU A 461 -3.977 -14.082 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.747 -13.116 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -5.749 -13.277 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -4.506 -12.137 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -6.353 -10.480 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -7.520 -11.608 0.656 1.00 0.00 H new ATOM 533 N GLN A 462 -4.204 -11.856 -2.665 1.00 0.00 N ATOM 534 CA GLN A 462 -3.764 -10.764 -3.577 1.00 0.00 C ATOM 535 C GLN A 462 -4.469 -10.913 -4.921 1.00 0.00 C ATOM 536 O GLN A 462 -4.975 -11.964 -5.257 1.00 0.00 O ATOM 537 CB GLN A 462 -2.254 -10.846 -3.799 1.00 0.00 C ATOM 538 CG GLN A 462 -1.560 -11.192 -2.485 1.00 0.00 C ATOM 539 CD GLN A 462 -1.671 -10.012 -1.521 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.790 -8.878 -1.941 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.633 -10.231 -0.235 1.00 0.00 N ATOM 0 H GLN A 462 -3.604 -12.681 -2.650 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.014 -9.803 -3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.028 -11.602 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -1.880 -9.895 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -2.015 -12.079 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.512 -11.429 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.533 -11.183 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -1.703 -9.450 0.418 1.00 0.00 H new ATOM 550 N GLY A 463 -4.503 -9.866 -5.693 1.00 0.00 N ATOM 551 CA GLY A 463 -5.174 -9.941 -7.020 1.00 0.00 C ATOM 552 C GLY A 463 -4.186 -9.527 -8.113 1.00 0.00 C ATOM 553 O GLY A 463 -3.168 -8.919 -7.846 1.00 0.00 O ATOM 0 H GLY A 463 -4.095 -8.960 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.531 -10.954 -7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.046 -9.288 -7.036 1.00 0.00 H new ATOM 557 N ILE A 464 -4.479 -9.852 -9.340 1.00 0.00 N ATOM 558 CA ILE A 464 -3.560 -9.480 -10.452 1.00 0.00 C ATOM 559 C ILE A 464 -3.185 -8.003 -10.336 1.00 0.00 C ATOM 560 O ILE A 464 -2.063 -7.613 -10.595 1.00 0.00 O ATOM 561 CB ILE A 464 -4.263 -9.722 -11.788 1.00 0.00 C ATOM 562 CG1 ILE A 464 -4.591 -11.210 -11.929 1.00 0.00 C ATOM 563 CG2 ILE A 464 -3.343 -9.292 -12.931 1.00 0.00 C ATOM 564 CD1 ILE A 464 -5.384 -11.437 -13.216 1.00 0.00 C ATOM 0 H ILE A 464 -5.317 -10.360 -9.622 1.00 0.00 H new ATOM 0 HA ILE A 464 -2.656 -10.087 -10.396 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.185 -9.142 -11.825 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -3.672 -11.796 -11.947 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.168 -11.549 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -3.843 -9.464 -13.884 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.108 -8.232 -12.830 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -2.421 -9.873 -12.894 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -5.618 -12.497 -13.317 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -6.310 -10.863 -13.179 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -4.790 -11.113 -14.071 1.00 0.00 H new ATOM 576 N ASP A 465 -4.117 -7.177 -9.953 1.00 0.00 N ATOM 577 CA ASP A 465 -3.824 -5.722 -9.823 1.00 0.00 C ATOM 578 C ASP A 465 -2.881 -5.488 -8.642 1.00 0.00 C ATOM 579 O ASP A 465 -1.998 -4.655 -8.696 1.00 0.00 O ATOM 580 CB ASP A 465 -5.129 -4.958 -9.594 1.00 0.00 C ATOM 581 CG ASP A 465 -6.001 -5.055 -10.847 1.00 0.00 C ATOM 582 OD1 ASP A 465 -5.485 -5.466 -11.874 1.00 0.00 O ATOM 583 OD2 ASP A 465 -7.170 -4.717 -10.758 1.00 0.00 O ATOM 0 H ASP A 465 -5.073 -7.447 -9.723 1.00 0.00 H new ATOM 0 HA ASP A 465 -3.349 -5.367 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -5.659 -5.371 -8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -4.917 -3.914 -9.365 1.00 0.00 H new ATOM 588 N ASP A 466 -3.060 -6.216 -7.576 1.00 0.00 N ATOM 589 CA ASP A 466 -2.172 -6.034 -6.393 1.00 0.00 C ATOM 590 C ASP A 466 -0.729 -6.354 -6.788 1.00 0.00 C ATOM 591 O ASP A 466 0.188 -5.618 -6.479 1.00 0.00 O ATOM 592 CB ASP A 466 -2.614 -6.978 -5.273 1.00 0.00 C ATOM 593 CG ASP A 466 -4.026 -6.606 -4.819 1.00 0.00 C ATOM 594 OD1 ASP A 466 -4.474 -5.526 -5.170 1.00 0.00 O ATOM 595 OD2 ASP A 466 -4.636 -7.405 -4.128 1.00 0.00 O ATOM 0 H ASP A 466 -3.782 -6.929 -7.472 1.00 0.00 H new ATOM 0 HA ASP A 466 -2.236 -5.003 -6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -2.593 -8.010 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -1.922 -6.913 -4.434 1.00 0.00 H new ATOM 600 N LEU A 467 -0.522 -7.447 -7.469 1.00 0.00 N ATOM 601 CA LEU A 467 0.860 -7.817 -7.886 1.00 0.00 C ATOM 602 C LEU A 467 1.202 -7.111 -9.200 1.00 0.00 C ATOM 603 O LEU A 467 2.335 -7.111 -9.640 1.00 0.00 O ATOM 604 CB LEU A 467 0.940 -9.332 -8.087 1.00 0.00 C ATOM 605 CG LEU A 467 1.051 -10.028 -6.728 1.00 0.00 C ATOM 606 CD1 LEU A 467 0.041 -9.416 -5.753 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.755 -11.519 -6.899 1.00 0.00 C ATOM 0 H LEU A 467 -1.251 -8.101 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 467 1.568 -7.513 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.055 -9.686 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.802 -9.581 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 467 2.058 -9.897 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.122 -9.913 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.249 -8.353 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.968 -9.546 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 467 0.833 -12.019 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -0.253 -11.647 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 467 1.474 -11.955 -7.592 1.00 0.00 H new ATOM 619 N ALA A 468 0.229 -6.514 -9.833 1.00 0.00 N ATOM 620 CA ALA A 468 0.495 -5.811 -11.121 1.00 0.00 C ATOM 621 C ALA A 468 1.631 -4.805 -10.933 1.00 0.00 C ATOM 622 O ALA A 468 2.427 -4.579 -11.823 1.00 0.00 O ATOM 623 CB ALA A 468 -0.768 -5.075 -11.572 1.00 0.00 C ATOM 0 H ALA A 468 -0.739 -6.483 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 468 0.781 -6.541 -11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.573 -4.561 -12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.577 -5.792 -11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.055 -4.346 -10.814 1.00 0.00 H new ATOM 629 N ASP A 469 1.712 -4.197 -9.782 1.00 0.00 N ATOM 630 CA ASP A 469 2.797 -3.206 -9.538 1.00 0.00 C ATOM 631 C ASP A 469 4.157 -3.876 -9.735 1.00 0.00 C ATOM 632 O ASP A 469 5.135 -3.234 -10.066 1.00 0.00 O ATOM 633 CB ASP A 469 2.694 -2.678 -8.105 1.00 0.00 C ATOM 634 CG ASP A 469 1.415 -1.852 -7.956 1.00 0.00 C ATOM 635 OD1 ASP A 469 0.814 -1.538 -8.970 1.00 0.00 O ATOM 636 OD2 ASP A 469 1.059 -1.545 -6.830 1.00 0.00 O ATOM 0 H ASP A 469 1.074 -4.344 -9.000 1.00 0.00 H new ATOM 0 HA ASP A 469 2.695 -2.378 -10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 469 2.687 -3.509 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 469 3.564 -2.066 -7.868 1.00 0.00 H new ATOM 641 N ILE A 470 4.230 -5.163 -9.531 1.00 0.00 N ATOM 642 CA ILE A 470 5.529 -5.872 -9.704 1.00 0.00 C ATOM 643 C ILE A 470 6.030 -5.680 -11.135 1.00 0.00 C ATOM 644 O ILE A 470 5.268 -5.418 -12.043 1.00 0.00 O ATOM 645 CB ILE A 470 5.338 -7.365 -9.427 1.00 0.00 C ATOM 646 CG1 ILE A 470 4.716 -7.549 -8.044 1.00 0.00 C ATOM 647 CG2 ILE A 470 6.696 -8.069 -9.467 1.00 0.00 C ATOM 648 CD1 ILE A 470 5.592 -6.856 -7.000 1.00 0.00 C ATOM 0 H ILE A 470 3.447 -5.754 -9.252 1.00 0.00 H new ATOM 0 HA ILE A 470 6.260 -5.463 -9.006 1.00 0.00 H new ATOM 0 HB ILE A 470 4.682 -7.793 -10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 470 3.710 -7.131 -8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 470 4.624 -8.610 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 470 6.561 -9.132 -9.270 1.00 0.00 H new ATOM 0 HG22 ILE A 470 7.145 -7.937 -10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 470 7.351 -7.640 -8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 470 5.151 -6.985 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 470 6.590 -7.295 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 470 5.661 -5.793 -7.230 1.00 0.00 H new ATOM 660 N GLU A 471 7.310 -5.814 -11.340 1.00 0.00 N ATOM 661 CA GLU A 471 7.866 -5.645 -12.712 1.00 0.00 C ATOM 662 C GLU A 471 8.052 -7.020 -13.355 1.00 0.00 C ATOM 663 O GLU A 471 8.578 -7.932 -12.748 1.00 0.00 O ATOM 664 CB GLU A 471 9.216 -4.930 -12.633 1.00 0.00 C ATOM 665 CG GLU A 471 9.704 -4.615 -14.048 1.00 0.00 C ATOM 666 CD GLU A 471 11.099 -3.992 -13.980 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.610 -3.852 -12.881 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.633 -3.665 -15.027 1.00 0.00 O ATOM 0 H GLU A 471 7.996 -6.033 -10.617 1.00 0.00 H new ATOM 0 HA GLU A 471 7.178 -5.051 -13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 471 9.120 -4.010 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.943 -5.557 -12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.730 -5.526 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 471 9.012 -3.931 -14.539 1.00 0.00 H new ATOM 675 N GLY A 472 7.623 -7.180 -14.576 1.00 0.00 N ATOM 676 CA GLY A 472 7.773 -8.499 -15.252 1.00 0.00 C ATOM 677 C GLY A 472 6.517 -9.339 -15.007 1.00 0.00 C ATOM 678 O GLY A 472 6.475 -10.514 -15.312 1.00 0.00 O ATOM 0 H GLY A 472 7.175 -6.454 -15.135 1.00 0.00 H new ATOM 0 HA2 GLY A 472 7.926 -8.357 -16.322 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.652 -9.018 -14.870 1.00 0.00 H new ATOM 682 N LEU A 473 5.492 -8.742 -14.460 1.00 0.00 N ATOM 683 CA LEU A 473 4.238 -9.504 -14.197 1.00 0.00 C ATOM 684 C LEU A 473 3.153 -9.047 -15.174 1.00 0.00 C ATOM 685 O LEU A 473 3.035 -7.878 -15.485 1.00 0.00 O ATOM 686 CB LEU A 473 3.775 -9.246 -12.761 1.00 0.00 C ATOM 687 CG LEU A 473 4.443 -10.251 -11.821 1.00 0.00 C ATOM 688 CD1 LEU A 473 4.164 -11.674 -12.311 1.00 0.00 C ATOM 689 CD2 LEU A 473 5.953 -10.004 -11.800 1.00 0.00 C ATOM 0 H LEU A 473 5.469 -7.760 -14.184 1.00 0.00 H new ATOM 0 HA LEU A 473 4.424 -10.570 -14.331 1.00 0.00 H new ATOM 0 HB2 LEU A 473 4.029 -8.229 -12.463 1.00 0.00 H new ATOM 0 HB3 LEU A 473 2.691 -9.336 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 473 4.041 -10.129 -10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 473 4.640 -12.390 -11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 473 3.088 -11.850 -12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 473 4.564 -11.797 -13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 473 6.430 -10.720 -11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 473 6.355 -10.125 -12.806 1.00 0.00 H new ATOM 0 HD23 LEU A 473 6.151 -8.991 -11.449 1.00 0.00 H new ATOM 701 N THR A 474 2.359 -9.960 -15.664 1.00 0.00 N ATOM 702 CA THR A 474 1.285 -9.577 -16.622 1.00 0.00 C ATOM 703 C THR A 474 -0.064 -10.084 -16.111 1.00 0.00 C ATOM 704 O THR A 474 -0.131 -10.881 -15.196 1.00 0.00 O ATOM 705 CB THR A 474 1.576 -10.201 -17.989 1.00 0.00 C ATOM 706 OG1 THR A 474 2.707 -11.055 -17.884 1.00 0.00 O ATOM 707 CG2 THR A 474 1.862 -9.096 -19.007 1.00 0.00 C ATOM 0 H THR A 474 2.408 -10.954 -15.442 1.00 0.00 H new ATOM 0 HA THR A 474 1.253 -8.491 -16.714 1.00 0.00 H new ATOM 0 HB THR A 474 0.712 -10.778 -18.318 1.00 0.00 H new ATOM 0 HG1 THR A 474 2.895 -11.458 -18.757 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.069 -9.542 -19.980 1.00 0.00 H new ATOM 0 HG22 THR A 474 0.995 -8.440 -19.086 1.00 0.00 H new ATOM 0 HG23 THR A 474 2.726 -8.517 -18.682 1.00 0.00 H new ATOM 715 N ASP A 475 -1.138 -9.631 -16.696 1.00 0.00 N ATOM 716 CA ASP A 475 -2.483 -10.088 -16.246 1.00 0.00 C ATOM 717 C ASP A 475 -2.551 -11.615 -16.310 1.00 0.00 C ATOM 718 O ASP A 475 -3.150 -12.255 -15.469 1.00 0.00 O ATOM 719 CB ASP A 475 -3.553 -9.491 -17.160 1.00 0.00 C ATOM 720 CG ASP A 475 -3.639 -7.982 -16.923 1.00 0.00 C ATOM 721 OD1 ASP A 475 -3.027 -7.514 -15.977 1.00 0.00 O ATOM 722 OD2 ASP A 475 -4.317 -7.319 -17.692 1.00 0.00 O ATOM 0 H ASP A 475 -1.142 -8.963 -17.467 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.655 -9.760 -15.221 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -3.310 -9.693 -18.203 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -4.518 -9.957 -16.961 1.00 0.00 H new ATOM 727 N GLU A 476 -1.938 -12.203 -17.300 1.00 0.00 N ATOM 728 CA GLU A 476 -1.964 -13.688 -17.417 1.00 0.00 C ATOM 729 C GLU A 476 -1.010 -14.292 -16.385 1.00 0.00 C ATOM 730 O GLU A 476 -1.387 -15.131 -15.589 1.00 0.00 O ATOM 731 CB GLU A 476 -1.525 -14.098 -18.825 1.00 0.00 C ATOM 732 CG GLU A 476 -1.701 -15.609 -18.994 1.00 0.00 C ATOM 733 CD GLU A 476 -1.191 -16.031 -20.374 1.00 0.00 C ATOM 734 OE1 GLU A 476 -0.724 -15.169 -21.100 1.00 0.00 O ATOM 735 OE2 GLU A 476 -1.278 -17.208 -20.681 1.00 0.00 O ATOM 0 H GLU A 476 -1.420 -11.719 -18.033 1.00 0.00 H new ATOM 0 HA GLU A 476 -2.975 -14.052 -17.235 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -2.116 -13.567 -19.571 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -0.483 -13.822 -18.988 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -1.154 -16.139 -18.215 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.752 -15.878 -18.885 1.00 0.00 H new ATOM 742 N LYS A 477 0.225 -13.867 -16.389 1.00 0.00 N ATOM 743 CA LYS A 477 1.203 -14.410 -15.407 1.00 0.00 C ATOM 744 C LYS A 477 0.722 -14.091 -13.992 1.00 0.00 C ATOM 745 O LYS A 477 0.852 -14.890 -13.086 1.00 0.00 O ATOM 746 CB LYS A 477 2.570 -13.769 -15.643 1.00 0.00 C ATOM 747 CG LYS A 477 3.610 -14.432 -14.737 1.00 0.00 C ATOM 748 CD LYS A 477 4.961 -13.741 -14.927 1.00 0.00 C ATOM 749 CE LYS A 477 6.027 -14.472 -14.109 1.00 0.00 C ATOM 750 NZ LYS A 477 7.355 -14.301 -14.762 1.00 0.00 N ATOM 0 H LYS A 477 0.597 -13.167 -17.031 1.00 0.00 H new ATOM 0 HA LYS A 477 1.287 -15.490 -15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.860 -13.880 -16.688 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.522 -12.700 -15.437 1.00 0.00 H new ATOM 0 HG2 LYS A 477 3.297 -14.364 -13.695 1.00 0.00 H new ATOM 0 HG3 LYS A 477 3.694 -15.492 -14.976 1.00 0.00 H new ATOM 0 HD2 LYS A 477 5.235 -13.739 -15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.896 -12.700 -14.612 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.055 -14.078 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.780 -15.531 -14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 8.081 -14.797 -14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.323 -14.697 -15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.589 -13.289 -14.812 1.00 0.00 H new ATOM 764 N ALA A 478 0.161 -12.930 -13.797 1.00 0.00 N ATOM 765 CA ALA A 478 -0.336 -12.564 -12.442 1.00 0.00 C ATOM 766 C ALA A 478 -1.356 -13.607 -11.992 1.00 0.00 C ATOM 767 O ALA A 478 -1.376 -14.022 -10.849 1.00 0.00 O ATOM 768 CB ALA A 478 -1.003 -11.187 -12.494 1.00 0.00 C ATOM 0 H ALA A 478 0.025 -12.220 -14.517 1.00 0.00 H new ATOM 0 HA ALA A 478 0.497 -12.532 -11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.366 -10.921 -11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.278 -10.444 -12.826 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -1.840 -11.214 -13.191 1.00 0.00 H new ATOM 774 N GLY A 479 -2.199 -14.042 -12.888 1.00 0.00 N ATOM 775 CA GLY A 479 -3.214 -15.066 -12.521 1.00 0.00 C ATOM 776 C GLY A 479 -2.499 -16.364 -12.153 1.00 0.00 C ATOM 777 O GLY A 479 -2.417 -16.733 -11.002 1.00 0.00 O ATOM 0 H GLY A 479 -2.228 -13.731 -13.859 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -3.815 -14.716 -11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -3.897 -15.235 -13.354 1.00 0.00 H new ATOM 781 N ALA A 480 -1.983 -17.059 -13.126 1.00 0.00 N ATOM 782 CA ALA A 480 -1.272 -18.338 -12.837 1.00 0.00 C ATOM 783 C ALA A 480 -0.435 -18.188 -11.564 1.00 0.00 C ATOM 784 O ALA A 480 -0.322 -19.104 -10.773 1.00 0.00 O ATOM 785 CB ALA A 480 -0.353 -18.692 -14.010 1.00 0.00 C ATOM 0 H ALA A 480 -2.022 -16.798 -14.111 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.006 -19.131 -12.697 1.00 0.00 H new ATOM 0 HB1 ALA A 480 0.166 -19.627 -13.797 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -0.947 -18.805 -14.917 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.378 -17.896 -14.153 1.00 0.00 H new ATOM 791 N LEU A 481 0.152 -17.041 -11.357 1.00 0.00 N ATOM 792 CA LEU A 481 0.979 -16.837 -10.133 1.00 0.00 C ATOM 793 C LEU A 481 0.080 -16.898 -8.895 1.00 0.00 C ATOM 794 O LEU A 481 0.186 -17.795 -8.082 1.00 0.00 O ATOM 795 CB LEU A 481 1.661 -15.469 -10.200 1.00 0.00 C ATOM 796 CG LEU A 481 3.095 -15.635 -10.708 1.00 0.00 C ATOM 797 CD1 LEU A 481 3.958 -16.266 -9.611 1.00 0.00 C ATOM 798 CD2 LEU A 481 3.096 -16.541 -11.941 1.00 0.00 C ATOM 0 H LEU A 481 0.095 -16.237 -11.982 1.00 0.00 H new ATOM 0 HA LEU A 481 1.737 -17.618 -10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.104 -14.806 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.665 -15.005 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 481 3.502 -14.659 -10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 481 4.979 -16.384 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 481 3.957 -15.622 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.552 -17.242 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 481 4.117 -16.660 -12.304 1.00 0.00 H new ATOM 0 HD22 LEU A 481 2.689 -17.517 -11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 481 2.483 -16.092 -12.723 1.00 0.00 H new ATOM 810 N ILE A 482 -0.805 -15.951 -8.749 1.00 0.00 N ATOM 811 CA ILE A 482 -1.714 -15.951 -7.566 1.00 0.00 C ATOM 812 C ILE A 482 -2.663 -17.146 -7.654 1.00 0.00 C ATOM 813 O ILE A 482 -3.071 -17.707 -6.656 1.00 0.00 O ATOM 814 CB ILE A 482 -2.528 -14.656 -7.555 1.00 0.00 C ATOM 815 CG1 ILE A 482 -1.580 -13.459 -7.467 1.00 0.00 C ATOM 816 CG2 ILE A 482 -3.468 -14.654 -6.349 1.00 0.00 C ATOM 817 CD1 ILE A 482 -2.382 -12.163 -7.594 1.00 0.00 C ATOM 0 H ILE A 482 -0.939 -15.176 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.125 -16.021 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.115 -14.588 -8.471 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.043 -13.476 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -0.832 -13.515 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.048 -13.731 -6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.144 -15.507 -6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -2.883 -14.723 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -1.707 -11.310 -7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -2.899 -12.147 -8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.113 -12.107 -6.788 1.00 0.00 H new ATOM 829 N MET A 483 -3.015 -17.537 -8.845 1.00 0.00 N ATOM 830 CA MET A 483 -3.937 -18.694 -9.014 1.00 0.00 C ATOM 831 C MET A 483 -3.289 -19.952 -8.437 1.00 0.00 C ATOM 832 O MET A 483 -3.953 -20.806 -7.883 1.00 0.00 O ATOM 833 CB MET A 483 -4.217 -18.906 -10.504 1.00 0.00 C ATOM 834 CG MET A 483 -5.054 -17.744 -11.042 1.00 0.00 C ATOM 835 SD MET A 483 -6.596 -17.626 -10.101 1.00 0.00 S ATOM 836 CE MET A 483 -7.396 -19.091 -10.797 1.00 0.00 C ATOM 0 H MET A 483 -2.703 -17.103 -9.714 1.00 0.00 H new ATOM 0 HA MET A 483 -4.872 -18.493 -8.490 1.00 0.00 H new ATOM 0 HB2 MET A 483 -3.278 -18.976 -11.054 1.00 0.00 H new ATOM 0 HB3 MET A 483 -4.745 -19.847 -10.654 1.00 0.00 H new ATOM 0 HG2 MET A 483 -4.495 -16.812 -10.963 1.00 0.00 H new ATOM 0 HG3 MET A 483 -5.271 -17.897 -12.099 1.00 0.00 H new ATOM 0 HE1 MET A 483 -8.470 -18.921 -10.866 1.00 0.00 H new ATOM 0 HE2 MET A 483 -6.995 -19.287 -11.791 1.00 0.00 H new ATOM 0 HE3 MET A 483 -7.206 -19.950 -10.153 1.00 0.00 H new ATOM 846 N ALA A 484 -1.997 -20.073 -8.560 1.00 0.00 N ATOM 847 CA ALA A 484 -1.309 -21.277 -8.019 1.00 0.00 C ATOM 848 C ALA A 484 -1.393 -21.264 -6.493 1.00 0.00 C ATOM 849 O ALA A 484 -1.520 -22.292 -5.858 1.00 0.00 O ATOM 850 CB ALA A 484 0.158 -21.264 -8.451 1.00 0.00 C ATOM 0 H ALA A 484 -1.388 -19.390 -9.012 1.00 0.00 H new ATOM 0 HA ALA A 484 -1.790 -22.176 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.662 -22.146 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 484 0.217 -21.271 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.642 -20.366 -8.067 1.00 0.00 H new ATOM 856 N ALA A 485 -1.328 -20.106 -5.900 1.00 0.00 N ATOM 857 CA ALA A 485 -1.411 -20.027 -4.416 1.00 0.00 C ATOM 858 C ALA A 485 -2.863 -20.233 -3.987 1.00 0.00 C ATOM 859 O ALA A 485 -3.147 -20.913 -3.021 1.00 0.00 O ATOM 860 CB ALA A 485 -0.929 -18.655 -3.946 1.00 0.00 C ATOM 0 H ALA A 485 -1.221 -19.211 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.782 -20.798 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.991 -18.600 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.105 -18.506 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.556 -17.879 -4.385 1.00 0.00 H new ATOM 866 N ARG A 486 -3.783 -19.657 -4.706 1.00 0.00 N ATOM 867 CA ARG A 486 -5.219 -19.823 -4.352 1.00 0.00 C ATOM 868 C ARG A 486 -5.628 -21.272 -4.616 1.00 0.00 C ATOM 869 O ARG A 486 -6.293 -21.899 -3.817 1.00 0.00 O ATOM 870 CB ARG A 486 -6.069 -18.886 -5.213 1.00 0.00 C ATOM 871 CG ARG A 486 -5.782 -17.434 -4.821 1.00 0.00 C ATOM 872 CD ARG A 486 -6.705 -16.498 -5.604 1.00 0.00 C ATOM 873 NE ARG A 486 -6.287 -15.085 -5.381 1.00 0.00 N ATOM 874 CZ ARG A 486 -7.102 -14.108 -5.671 1.00 0.00 C ATOM 875 NH1 ARG A 486 -6.913 -13.398 -6.749 1.00 0.00 N ATOM 876 NH2 ARG A 486 -8.106 -13.840 -4.881 1.00 0.00 N ATOM 0 H ARG A 486 -3.603 -19.077 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.372 -19.581 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.844 -19.040 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -7.127 -19.109 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -5.934 -17.299 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.740 -17.190 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -6.665 -16.737 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.738 -16.637 -5.284 1.00 0.00 H new ATOM 0 HE ARG A 486 -5.363 -14.881 -5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -6.128 -13.606 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -7.550 -12.634 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -8.253 -14.394 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -8.743 -13.076 -5.107 1.00 0.00 H new ATOM 890 N ASN A 487 -5.224 -21.808 -5.735 1.00 0.00 N ATOM 891 CA ASN A 487 -5.577 -23.218 -6.059 1.00 0.00 C ATOM 892 C ASN A 487 -5.015 -24.143 -4.978 1.00 0.00 C ATOM 893 O ASN A 487 -5.628 -25.122 -4.599 1.00 0.00 O ATOM 894 CB ASN A 487 -4.974 -23.594 -7.416 1.00 0.00 C ATOM 895 CG ASN A 487 -5.621 -22.750 -8.518 1.00 0.00 C ATOM 896 OD1 ASN A 487 -6.806 -22.489 -8.481 1.00 0.00 O ATOM 897 ND2 ASN A 487 -4.886 -22.310 -9.503 1.00 0.00 N ATOM 0 H ASN A 487 -4.664 -21.329 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.661 -23.323 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -3.896 -23.430 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -5.133 -24.654 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.307 -21.747 -10.242 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -3.890 -22.529 -9.534 1.00 0.00 H new ATOM 904 N ILE A 488 -3.842 -23.846 -4.490 1.00 0.00 N ATOM 905 CA ILE A 488 -3.226 -24.713 -3.444 1.00 0.00 C ATOM 906 C ILE A 488 -3.739 -24.314 -2.058 1.00 0.00 C ATOM 907 O ILE A 488 -4.011 -25.155 -1.223 1.00 0.00 O ATOM 908 CB ILE A 488 -1.705 -24.560 -3.491 1.00 0.00 C ATOM 909 CG1 ILE A 488 -1.193 -24.989 -4.869 1.00 0.00 C ATOM 910 CG2 ILE A 488 -1.068 -25.441 -2.413 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.311 -24.724 -4.963 1.00 0.00 C ATOM 0 H ILE A 488 -3.283 -23.040 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 488 -3.498 -25.751 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.439 -23.518 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -1.397 -26.048 -5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.719 -24.440 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.016 -25.331 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -1.433 -25.137 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -1.333 -26.483 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 488 0.674 -25.030 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.503 -23.660 -4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 488 0.830 -25.293 -4.191 1.00 0.00 H new ATOM 923 N CYS A 489 -3.864 -23.043 -1.802 1.00 0.00 N ATOM 924 CA CYS A 489 -4.347 -22.596 -0.462 1.00 0.00 C ATOM 925 C CYS A 489 -5.865 -22.757 -0.373 1.00 0.00 C ATOM 926 O CYS A 489 -6.399 -23.141 0.649 1.00 0.00 O ATOM 927 CB CYS A 489 -3.978 -21.126 -0.255 1.00 0.00 C ATOM 928 SG CYS A 489 -2.217 -20.997 0.143 1.00 0.00 S ATOM 0 H CYS A 489 -3.653 -22.293 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.878 -23.206 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -4.201 -20.554 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.576 -20.700 0.550 1.00 0.00 H new ATOM 0 HG CYS A 489 -1.881 -21.963 0.945 1.00 0.00 H new ATOM 934 N TRP A 490 -6.566 -22.466 -1.431 1.00 0.00 N ATOM 935 CA TRP A 490 -8.050 -22.603 -1.401 1.00 0.00 C ATOM 936 C TRP A 490 -8.443 -23.980 -1.935 1.00 0.00 C ATOM 937 O TRP A 490 -8.650 -24.913 -1.184 1.00 0.00 O ATOM 938 CB TRP A 490 -8.687 -21.524 -2.278 1.00 0.00 C ATOM 939 CG TRP A 490 -8.461 -20.176 -1.668 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.837 -19.947 -0.490 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.849 -18.871 -2.186 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.816 -18.583 -0.253 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.428 -17.879 -1.270 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.518 -18.459 -3.352 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.663 -16.522 -1.504 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.757 -17.096 -3.590 1.00 0.00 C ATOM 947 CH2 TRP A 490 -9.331 -16.130 -2.668 1.00 0.00 C ATOM 0 H TRP A 490 -6.177 -22.139 -2.316 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.400 -22.490 -0.375 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.258 -21.557 -3.280 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.756 -21.711 -2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.423 -20.704 0.159 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -7.399 -18.151 0.572 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.850 -19.195 -4.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -8.331 -15.781 -0.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -10.272 -16.790 -4.489 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.519 -15.083 -2.857 1.00 0.00 H new