USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 515 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 : X 428 THR OG1 : rot 21:sc= 0.281 USER MOD Single : X 429 SER OG : rot 180:sc= -0.0106 USER MOD Single : X 430 SER OG : rot 180:sc= 0 USER MOD Single : X 438 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 443 THR OG1 : rot 180:sc= 0 USER MOD Single : X 448 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 453 THR OG1 : rot 180:sc= 0 USER MOD Single : X 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 465 THR OG1 : rot 10:sc= 0.502 USER MOD Single : X 467 TYR OH : rot 56:sc= 1.28 USER MOD Single : X 469 LYS NZ :NH3+ 164:sc= 0.0948 (180deg=0.0498) USER MOD Single : X 470 SER OG : rot 180:sc= 0.0047 USER MOD Single : X 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 478 TYR OH : rot 180:sc= 0 USER MOD Single : X 479 THR OG1 : rot 180:sc= -0.271 USER MOD Single : X 482 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.3!) USER MOD Single : X 485 TYR OH : rot 180:sc= 0 USER MOD Single : X 488 LYS NZ :NH3+ -151:sc= -0.584 (180deg=-0.831) USER MOD Single : X 489 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0717) USER MOD Single : X 490 TYR OH : rot 110:sc= -1.6 USER MOD Single : X 495 LYS NZ :NH3+ 166:sc=-0.00253 (180deg=-0.135) USER MOD Single : X 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR X 428 17.267 -0.315 -37.451 1.00 5.00 N ATOM 2 CA THR X 428 16.472 -0.099 -36.249 1.00 12.01 C ATOM 3 C THR X 428 15.815 -1.393 -35.784 1.00 30.04 C ATOM 4 O THR X 428 14.924 -1.923 -36.448 1.00 12.04 O ATOM 5 CB THR X 428 15.380 0.963 -36.482 1.00 24.02 C ATOM 6 OG1 THR X 428 15.927 2.082 -37.187 1.00 71.40 O ATOM 7 CG2 THR X 428 14.788 1.430 -35.160 1.00 53.21 C ATOM 0 HA THR X 428 17.155 0.255 -35.477 1.00 12.01 H new ATOM 0 HB THR X 428 14.587 0.511 -37.078 1.00 24.02 H new ATOM 0 HG1 THR X 428 16.748 1.809 -37.647 1.00 71.40 H new ATOM 0 HG21 THR X 428 14.020 2.179 -35.350 1.00 53.21 H new ATOM 0 HG22 THR X 428 14.346 0.581 -34.639 1.00 53.21 H new ATOM 0 HG23 THR X 428 15.574 1.865 -34.543 1.00 53.21 H new ATOM 15 N SER X 429 16.259 -1.898 -34.637 1.00 22.44 N ATOM 16 CA SER X 429 15.716 -3.133 -34.085 1.00 32.13 C ATOM 17 C SER X 429 15.643 -3.061 -32.562 1.00 55.14 C ATOM 18 O SER X 429 16.408 -2.335 -31.927 1.00 1.53 O ATOM 19 CB SER X 429 16.574 -4.328 -34.509 1.00 32.21 C ATOM 20 OG SER X 429 16.233 -5.488 -33.770 1.00 61.33 O ATOM 0 H SER X 429 16.993 -1.471 -34.072 1.00 22.44 H new ATOM 0 HA SER X 429 14.707 -3.263 -34.475 1.00 32.13 H new ATOM 0 HB2 SER X 429 16.438 -4.518 -35.574 1.00 32.21 H new ATOM 0 HB3 SER X 429 17.628 -4.094 -34.359 1.00 32.21 H new ATOM 0 HG SER X 429 16.794 -6.237 -34.060 1.00 61.33 H new ATOM 25 N SER X 430 14.716 -3.818 -31.984 1.00 63.41 N ATOM 26 CA SER X 430 14.538 -3.838 -30.537 1.00 72.23 C ATOM 27 C SER X 430 15.003 -5.168 -29.950 1.00 21.21 C ATOM 28 O SER X 430 15.038 -6.184 -30.643 1.00 14.24 O ATOM 29 CB SER X 430 13.071 -3.594 -30.178 1.00 32.50 C ATOM 30 OG SER X 430 12.920 -3.339 -28.792 1.00 33.14 O ATOM 0 H SER X 430 14.076 -4.426 -32.496 1.00 63.41 H new ATOM 0 HA SER X 430 15.146 -3.040 -30.111 1.00 72.23 H new ATOM 0 HB2 SER X 430 12.689 -2.748 -30.750 1.00 32.50 H new ATOM 0 HB3 SER X 430 12.476 -4.463 -30.458 1.00 32.50 H new ATOM 0 HG SER X 430 11.974 -3.185 -28.589 1.00 33.14 H new ATOM 35 N GLU X 431 15.357 -5.151 -28.669 1.00 55.00 N ATOM 36 CA GLU X 431 15.821 -6.355 -27.990 1.00 42.22 C ATOM 37 C GLU X 431 14.950 -6.663 -26.775 1.00 20.45 C ATOM 38 O GLU X 431 14.433 -7.772 -26.633 1.00 73.30 O ATOM 39 CB GLU X 431 17.279 -6.195 -27.558 1.00 41.44 C ATOM 40 CG GLU X 431 18.245 -6.040 -28.721 1.00 32.03 C ATOM 41 CD GLU X 431 19.694 -6.180 -28.299 1.00 12.42 C ATOM 42 OE1 GLU X 431 20.159 -7.328 -28.144 1.00 11.15 O ATOM 43 OE2 GLU X 431 20.364 -5.140 -28.123 1.00 75.10 O ATOM 0 H GLU X 431 15.331 -4.318 -28.081 1.00 55.00 H new ATOM 0 HA GLU X 431 15.747 -7.187 -28.690 1.00 42.22 H new ATOM 0 HB2 GLU X 431 17.363 -5.324 -26.908 1.00 41.44 H new ATOM 0 HB3 GLU X 431 17.571 -7.063 -26.967 1.00 41.44 H new ATOM 0 HG2 GLU X 431 18.018 -6.789 -29.479 1.00 32.03 H new ATOM 0 HG3 GLU X 431 18.098 -5.064 -29.183 1.00 32.03 H new ATOM 48 N LEU X 432 14.793 -5.674 -25.902 1.00 34.30 N ATOM 49 CA LEU X 432 13.985 -5.838 -24.698 1.00 42.04 C ATOM 50 C LEU X 432 12.647 -5.120 -24.837 1.00 23.40 C ATOM 51 O LEU X 432 12.491 -4.198 -25.637 1.00 3.34 O ATOM 52 CB LEU X 432 14.739 -5.304 -23.478 1.00 52.42 C ATOM 53 CG LEU X 432 15.738 -4.179 -23.747 1.00 51.24 C ATOM 54 CD1 LEU X 432 15.026 -2.951 -24.290 1.00 52.35 C ATOM 55 CD2 LEU X 432 16.507 -3.835 -22.479 1.00 24.45 C ATOM 0 H LEU X 432 15.214 -4.751 -26.005 1.00 34.30 H new ATOM 0 HA LEU X 432 13.792 -6.902 -24.562 1.00 42.04 H new ATOM 0 HB2 LEU X 432 14.009 -4.948 -22.751 1.00 52.42 H new ATOM 0 HB3 LEU X 432 15.273 -6.133 -23.014 1.00 52.42 H new ATOM 0 HG LEU X 432 16.449 -4.522 -24.498 1.00 51.24 H new ATOM 0 HD11 LEU X 432 15.754 -2.161 -24.475 1.00 52.35 H new ATOM 0 HD12 LEU X 432 14.521 -3.205 -25.222 1.00 52.35 H new ATOM 0 HD13 LEU X 432 14.292 -2.605 -23.563 1.00 52.35 H new ATOM 0 HD21 LEU X 432 17.214 -3.032 -22.689 1.00 24.45 H new ATOM 0 HD22 LEU X 432 15.809 -3.512 -21.707 1.00 24.45 H new ATOM 0 HD23 LEU X 432 17.049 -4.715 -22.132 1.00 24.45 H new ATOM 66 N PRO X 433 11.658 -5.551 -24.040 1.00 12.24 N ATOM 67 CA PRO X 433 10.316 -4.961 -24.054 1.00 22.13 C ATOM 68 C PRO X 433 10.298 -3.549 -23.480 1.00 60.12 C ATOM 69 O PRO X 433 11.343 -2.920 -23.320 1.00 4.12 O ATOM 70 CB PRO X 433 9.502 -5.909 -23.170 1.00 11.51 C ATOM 71 CG PRO X 433 10.505 -6.536 -22.264 1.00 5.40 C ATOM 72 CD PRO X 433 11.774 -6.646 -23.063 1.00 52.10 C ATOM 0 HA PRO X 433 9.925 -4.861 -25.067 1.00 22.13 H new ATOM 0 HB2 PRO X 433 8.742 -5.369 -22.606 1.00 11.51 H new ATOM 0 HB3 PRO X 433 8.983 -6.660 -23.767 1.00 11.51 H new ATOM 0 HG2 PRO X 433 10.657 -5.929 -21.371 1.00 5.40 H new ATOM 0 HG3 PRO X 433 10.169 -7.517 -21.929 1.00 5.40 H new ATOM 0 HD2 PRO X 433 12.656 -6.531 -22.434 1.00 52.10 H new ATOM 0 HD3 PRO X 433 11.857 -7.616 -23.554 1.00 52.10 H new ATOM 77 N GLU X 434 9.103 -3.057 -23.169 1.00 43.15 N ATOM 78 CA GLU X 434 8.949 -1.718 -22.611 1.00 43.22 C ATOM 79 C GLU X 434 8.773 -1.776 -21.097 1.00 63.42 C ATOM 80 O GLU X 434 8.061 -0.960 -20.512 1.00 44.34 O ATOM 81 CB GLU X 434 7.752 -1.010 -23.248 1.00 71.33 C ATOM 82 CG GLU X 434 7.862 -0.863 -24.757 1.00 34.22 C ATOM 83 CD GLU X 434 9.190 -0.272 -25.190 1.00 41.40 C ATOM 84 OE1 GLU X 434 10.140 -1.050 -25.417 1.00 13.12 O ATOM 85 OE2 GLU X 434 9.276 0.969 -25.303 1.00 4.22 O ATOM 0 H GLU X 434 8.227 -3.565 -23.294 1.00 43.15 H new ATOM 0 HA GLU X 434 9.855 -1.154 -22.832 1.00 43.22 H new ATOM 0 HB2 GLU X 434 6.844 -1.565 -23.011 1.00 71.33 H new ATOM 0 HB3 GLU X 434 7.646 -0.021 -22.802 1.00 71.33 H new ATOM 0 HG2 GLU X 434 7.734 -1.840 -25.224 1.00 34.22 H new ATOM 0 HG3 GLU X 434 7.052 -0.229 -25.117 1.00 34.22 H new ATOM 90 N LEU X 435 9.427 -2.747 -20.469 1.00 33.41 N ATOM 91 CA LEU X 435 9.343 -2.913 -19.021 1.00 1.10 C ATOM 92 C LEU X 435 9.970 -1.725 -18.300 1.00 42.22 C ATOM 93 O LEU X 435 9.370 -1.149 -17.391 1.00 63.41 O ATOM 94 CB LEU X 435 10.040 -4.207 -18.596 1.00 71.34 C ATOM 95 CG LEU X 435 9.499 -4.876 -17.332 1.00 13.23 C ATOM 96 CD1 LEU X 435 9.676 -3.963 -16.128 1.00 51.12 C ATOM 97 CD2 LEU X 435 8.034 -5.248 -17.510 1.00 41.23 C ATOM 0 H LEU X 435 10.021 -3.431 -20.938 1.00 33.41 H new ATOM 0 HA LEU X 435 8.290 -2.967 -18.746 1.00 1.10 H new ATOM 0 HB2 LEU X 435 9.972 -4.920 -19.418 1.00 71.34 H new ATOM 0 HB3 LEU X 435 11.098 -3.994 -18.446 1.00 71.34 H new ATOM 0 HG LEU X 435 10.066 -5.790 -17.157 1.00 13.23 H new ATOM 0 HD11 LEU X 435 9.285 -4.455 -15.237 1.00 51.12 H new ATOM 0 HD12 LEU X 435 10.735 -3.747 -15.988 1.00 51.12 H new ATOM 0 HD13 LEU X 435 9.134 -3.032 -16.295 1.00 51.12 H new ATOM 0 HD21 LEU X 435 7.666 -5.723 -16.600 1.00 41.23 H new ATOM 0 HD22 LEU X 435 7.452 -4.348 -17.711 1.00 41.23 H new ATOM 0 HD23 LEU X 435 7.933 -5.939 -18.347 1.00 41.23 H new ATOM 108 N LEU X 436 11.180 -1.360 -18.710 1.00 10.10 N ATOM 109 CA LEU X 436 11.889 -0.238 -18.104 1.00 54.32 C ATOM 110 C LEU X 436 11.069 1.045 -18.211 1.00 4.13 C ATOM 111 O LEU X 436 10.995 1.826 -17.263 1.00 23.03 O ATOM 112 CB LEU X 436 13.249 -0.045 -18.776 1.00 2.34 C ATOM 113 CG LEU X 436 14.343 0.579 -17.910 1.00 51.35 C ATOM 114 CD1 LEU X 436 15.709 0.382 -18.549 1.00 70.33 C ATOM 115 CD2 LEU X 436 14.066 2.059 -17.685 1.00 70.22 C ATOM 0 H LEU X 436 11.691 -1.825 -19.460 1.00 10.10 H new ATOM 0 HA LEU X 436 12.042 -0.464 -17.049 1.00 54.32 H new ATOM 0 HB2 LEU X 436 13.600 -1.016 -19.126 1.00 2.34 H new ATOM 0 HB3 LEU X 436 13.111 0.581 -19.658 1.00 2.34 H new ATOM 0 HG LEU X 436 14.342 0.078 -16.942 1.00 51.35 H new ATOM 0 HD11 LEU X 436 16.475 0.833 -17.918 1.00 70.33 H new ATOM 0 HD12 LEU X 436 15.910 -0.684 -18.657 1.00 70.33 H new ATOM 0 HD13 LEU X 436 15.723 0.855 -19.531 1.00 70.33 H new ATOM 0 HD21 LEU X 436 14.855 2.487 -17.066 1.00 70.22 H new ATOM 0 HD22 LEU X 436 14.038 2.574 -18.645 1.00 70.22 H new ATOM 0 HD23 LEU X 436 13.106 2.177 -17.182 1.00 70.22 H new ATOM 126 N ARG X 437 10.454 1.253 -19.371 1.00 63.05 N ATOM 127 CA ARG X 437 9.639 2.439 -19.602 1.00 23.32 C ATOM 128 C ARG X 437 8.450 2.477 -18.646 1.00 23.54 C ATOM 129 O ARG X 437 8.026 3.546 -18.208 1.00 42.04 O ATOM 130 CB ARG X 437 9.145 2.471 -21.049 1.00 5.45 C ATOM 131 CG ARG X 437 8.303 3.694 -21.378 1.00 71.01 C ATOM 132 CD ARG X 437 8.155 3.879 -22.881 1.00 12.24 C ATOM 133 NE ARG X 437 9.363 4.436 -23.485 1.00 42.42 N ATOM 134 CZ ARG X 437 9.486 4.688 -24.783 1.00 44.34 C ATOM 135 NH1 ARG X 437 8.479 4.435 -25.609 1.00 31.32 N ATOM 136 NH2 ARG X 437 10.616 5.194 -25.258 1.00 3.22 N ATOM 0 H ARG X 437 10.505 0.615 -20.165 1.00 63.05 H new ATOM 0 HA ARG X 437 10.259 3.316 -19.418 1.00 23.32 H new ATOM 0 HB2 ARG X 437 10.005 2.441 -21.718 1.00 5.45 H new ATOM 0 HB3 ARG X 437 8.558 1.573 -21.244 1.00 5.45 H new ATOM 0 HG2 ARG X 437 7.317 3.592 -20.924 1.00 71.01 H new ATOM 0 HG3 ARG X 437 8.763 4.582 -20.944 1.00 71.01 H new ATOM 0 HD2 ARG X 437 7.928 2.919 -23.344 1.00 12.24 H new ATOM 0 HD3 ARG X 437 7.311 4.538 -23.084 1.00 12.24 H new ATOM 0 HE ARG X 437 10.155 4.643 -22.877 1.00 42.42 H new ATOM 0 HH11 ARG X 437 7.608 4.046 -25.247 1.00 31.32 H new ATOM 0 HH12 ARG X 437 8.576 4.629 -26.606 1.00 31.32 H new ATOM 0 HH21 ARG X 437 11.392 5.390 -24.626 1.00 3.22 H new ATOM 0 HH22 ARG X 437 10.709 5.387 -26.255 1.00 3.22 H new ATOM 147 N LYS X 438 7.917 1.302 -18.327 1.00 1.54 N ATOM 148 CA LYS X 438 6.778 1.199 -17.423 1.00 61.22 C ATOM 149 C LYS X 438 7.241 0.962 -15.989 1.00 34.03 C ATOM 150 O LYS X 438 7.575 -0.163 -15.613 1.00 2.32 O ATOM 151 CB LYS X 438 5.851 0.064 -17.866 1.00 61.01 C ATOM 152 CG LYS X 438 4.656 -0.138 -16.949 1.00 54.31 C ATOM 153 CD LYS X 438 3.784 -1.291 -17.417 1.00 10.44 C ATOM 154 CE LYS X 438 2.695 -1.611 -16.403 1.00 64.13 C ATOM 155 NZ LYS X 438 3.188 -2.515 -15.328 1.00 21.52 N ATOM 0 H LYS X 438 8.256 0.408 -18.681 1.00 1.54 H new ATOM 0 HA LYS X 438 6.231 2.141 -17.458 1.00 61.22 H new ATOM 0 HB2 LYS X 438 5.494 0.271 -18.875 1.00 61.01 H new ATOM 0 HB3 LYS X 438 6.422 -0.863 -17.914 1.00 61.01 H new ATOM 0 HG2 LYS X 438 5.003 -0.332 -15.934 1.00 54.31 H new ATOM 0 HG3 LYS X 438 4.064 0.777 -16.914 1.00 54.31 H new ATOM 0 HD2 LYS X 438 3.329 -1.039 -18.375 1.00 10.44 H new ATOM 0 HD3 LYS X 438 4.402 -2.174 -17.580 1.00 10.44 H new ATOM 0 HE2 LYS X 438 2.328 -0.685 -15.959 1.00 64.13 H new ATOM 0 HE3 LYS X 438 1.851 -2.077 -16.911 1.00 64.13 H new ATOM 0 HZ1 LYS X 438 2.417 -2.709 -14.657 1.00 21.52 H new ATOM 0 HZ2 LYS X 438 3.515 -3.408 -15.748 1.00 21.52 H new ATOM 0 HZ3 LYS X 438 3.977 -2.060 -14.826 1.00 21.52 H new ATOM 165 N ARG X 439 7.257 2.025 -15.193 1.00 54.15 N ATOM 166 CA ARG X 439 7.678 1.932 -13.800 1.00 65.33 C ATOM 167 C ARG X 439 6.501 2.165 -12.860 1.00 4.53 C ATOM 168 O ARG X 439 6.413 1.552 -11.796 1.00 21.20 O ATOM 169 CB ARG X 439 8.786 2.948 -13.511 1.00 74.13 C ATOM 170 CG ARG X 439 8.497 4.335 -14.062 1.00 71.52 C ATOM 171 CD ARG X 439 9.062 4.507 -15.463 1.00 62.55 C ATOM 172 NE ARG X 439 10.428 5.024 -15.444 1.00 43.02 N ATOM 173 CZ ARG X 439 11.032 5.542 -16.506 1.00 12.42 C ATOM 174 NH1 ARG X 439 10.395 5.612 -17.667 1.00 31.31 N ATOM 175 NH2 ARG X 439 12.276 5.993 -16.410 1.00 4.14 N ATOM 0 H ARG X 439 6.983 2.962 -15.489 1.00 54.15 H new ATOM 0 HA ARG X 439 8.063 0.927 -13.629 1.00 65.33 H new ATOM 0 HB2 ARG X 439 8.932 3.017 -12.433 1.00 74.13 H new ATOM 0 HB3 ARG X 439 9.721 2.584 -13.937 1.00 74.13 H new ATOM 0 HG2 ARG X 439 7.420 4.504 -14.080 1.00 71.52 H new ATOM 0 HG3 ARG X 439 8.927 5.087 -13.400 1.00 71.52 H new ATOM 0 HD2 ARG X 439 9.045 3.548 -15.981 1.00 62.55 H new ATOM 0 HD3 ARG X 439 8.425 5.187 -16.029 1.00 62.55 H new ATOM 0 HE ARG X 439 10.946 4.985 -14.566 1.00 43.02 H new ATOM 0 HH11 ARG X 439 9.438 5.267 -17.745 1.00 31.31 H new ATOM 0 HH12 ARG X 439 10.862 6.011 -18.482 1.00 31.31 H new ATOM 0 HH21 ARG X 439 12.770 5.942 -15.519 1.00 4.14 H new ATOM 0 HH22 ARG X 439 12.739 6.391 -17.227 1.00 4.14 H new ATOM 186 N GLU X 440 5.598 3.056 -13.257 1.00 74.00 N ATOM 187 CA GLU X 440 4.427 3.371 -12.449 1.00 14.10 C ATOM 188 C GLU X 440 3.311 3.954 -13.310 1.00 65.23 C ATOM 189 O GLU X 440 3.486 4.988 -13.955 1.00 11.23 O ATOM 190 CB GLU X 440 4.796 4.357 -11.338 1.00 61.52 C ATOM 191 CG GLU X 440 3.681 4.587 -10.332 1.00 31.02 C ATOM 192 CD GLU X 440 3.607 3.495 -9.283 1.00 2.42 C ATOM 193 OE1 GLU X 440 4.309 2.474 -9.437 1.00 1.35 O ATOM 194 OE2 GLU X 440 2.845 3.662 -8.307 1.00 62.25 O ATOM 0 H GLU X 440 5.656 3.573 -14.135 1.00 74.00 H new ATOM 0 HA GLU X 440 4.069 2.445 -12.000 1.00 14.10 H new ATOM 0 HB2 GLU X 440 5.677 3.987 -10.813 1.00 61.52 H new ATOM 0 HB3 GLU X 440 5.071 5.311 -11.787 1.00 61.52 H new ATOM 0 HG2 GLU X 440 3.833 5.548 -9.840 1.00 31.02 H new ATOM 0 HG3 GLU X 440 2.728 4.645 -10.858 1.00 31.02 H new ATOM 199 N ARG X 441 2.163 3.283 -13.316 1.00 64.13 N ATOM 200 CA ARG X 441 1.019 3.733 -14.099 1.00 54.45 C ATOM 201 C ARG X 441 -0.095 4.243 -13.189 1.00 4.51 C ATOM 202 O ARG X 441 -0.312 3.717 -12.098 1.00 2.02 O ATOM 203 CB ARG X 441 0.495 2.594 -14.975 1.00 52.24 C ATOM 204 CG ARG X 441 -0.402 3.062 -16.110 1.00 11.15 C ATOM 205 CD ARG X 441 0.411 3.584 -17.284 1.00 0.01 C ATOM 206 NE ARG X 441 -0.426 3.868 -18.446 1.00 15.32 N ATOM 207 CZ ARG X 441 -0.029 4.611 -19.473 1.00 50.33 C ATOM 208 NH1 ARG X 441 1.185 5.142 -19.481 1.00 12.34 N ATOM 209 NH2 ARG X 441 -0.849 4.824 -20.494 1.00 45.05 N ATOM 0 H ARG X 441 2.001 2.426 -12.787 1.00 64.13 H new ATOM 0 HA ARG X 441 1.347 4.553 -14.738 1.00 54.45 H new ATOM 0 HB2 ARG X 441 1.342 2.049 -15.393 1.00 52.24 H new ATOM 0 HB3 ARG X 441 -0.059 1.892 -14.351 1.00 52.24 H new ATOM 0 HG2 ARG X 441 -1.032 2.237 -16.441 1.00 11.15 H new ATOM 0 HG3 ARG X 441 -1.067 3.846 -15.749 1.00 11.15 H new ATOM 0 HD2 ARG X 441 0.937 4.491 -16.986 1.00 0.01 H new ATOM 0 HD3 ARG X 441 1.170 2.850 -17.555 1.00 0.01 H new ATOM 0 HE ARG X 441 -1.367 3.474 -18.471 1.00 15.32 H new ATOM 0 HH11 ARG X 441 1.817 4.981 -18.697 1.00 12.34 H new ATOM 0 HH12 ARG X 441 1.487 5.712 -20.271 1.00 12.34 H new ATOM 0 HH21 ARG X 441 -1.784 4.417 -20.490 1.00 45.05 H new ATOM 0 HH22 ARG X 441 -0.544 5.395 -21.283 1.00 45.05 H new ATOM 220 N LYS X 442 -0.799 5.273 -13.647 1.00 45.10 N ATOM 221 CA LYS X 442 -1.891 5.857 -12.877 1.00 20.53 C ATOM 222 C LYS X 442 -3.094 4.919 -12.843 1.00 51.34 C ATOM 223 O LYS X 442 -3.376 4.218 -13.816 1.00 64.12 O ATOM 224 CB LYS X 442 -2.300 7.206 -13.472 1.00 73.40 C ATOM 225 CG LYS X 442 -2.927 8.152 -12.462 1.00 3.44 C ATOM 226 CD LYS X 442 -1.872 8.931 -11.696 1.00 34.11 C ATOM 227 CE LYS X 442 -1.422 10.164 -12.465 1.00 72.14 C ATOM 228 NZ LYS X 442 -0.099 10.659 -11.994 1.00 14.41 N ATOM 0 H LYS X 442 -0.633 5.721 -14.548 1.00 45.10 H new ATOM 0 HA LYS X 442 -1.541 6.009 -11.856 1.00 20.53 H new ATOM 0 HB2 LYS X 442 -1.422 7.683 -13.907 1.00 73.40 H new ATOM 0 HB3 LYS X 442 -3.006 7.036 -14.285 1.00 73.40 H new ATOM 0 HG2 LYS X 442 -3.591 8.847 -12.977 1.00 3.44 H new ATOM 0 HG3 LYS X 442 -3.540 7.584 -11.762 1.00 3.44 H new ATOM 0 HD2 LYS X 442 -2.271 9.231 -10.727 1.00 34.11 H new ATOM 0 HD3 LYS X 442 -1.013 8.288 -11.502 1.00 34.11 H new ATOM 0 HE2 LYS X 442 -1.364 9.928 -13.528 1.00 72.14 H new ATOM 0 HE3 LYS X 442 -2.166 10.953 -12.354 1.00 72.14 H new ATOM 0 HZ1 LYS X 442 0.172 11.500 -12.543 1.00 14.41 H new ATOM 0 HZ2 LYS X 442 -0.160 10.908 -10.986 1.00 14.41 H new ATOM 0 HZ3 LYS X 442 0.616 9.915 -12.124 1.00 14.41 H new ATOM 238 N THR X 443 -3.804 4.913 -11.719 1.00 63.21 N ATOM 239 CA THR X 443 -4.976 4.062 -11.559 1.00 54.10 C ATOM 240 C THR X 443 -6.064 4.770 -10.759 1.00 60.12 C ATOM 241 O THR X 443 -5.775 5.614 -9.912 1.00 33.34 O ATOM 242 CB THR X 443 -4.619 2.737 -10.858 1.00 42.20 C ATOM 243 OG1 THR X 443 -3.517 2.938 -9.965 1.00 34.22 O ATOM 244 CG2 THR X 443 -4.263 1.666 -11.877 1.00 15.03 C ATOM 0 H THR X 443 -3.587 5.489 -10.905 1.00 63.21 H new ATOM 0 HA THR X 443 -5.347 3.845 -12.561 1.00 54.10 H new ATOM 0 HB THR X 443 -5.489 2.403 -10.292 1.00 42.20 H new ATOM 0 HG1 THR X 443 -3.297 2.092 -9.522 1.00 34.22 H new ATOM 0 HG21 THR X 443 -4.015 0.740 -11.359 1.00 15.03 H new ATOM 0 HG22 THR X 443 -5.113 1.496 -12.538 1.00 15.03 H new ATOM 0 HG23 THR X 443 -3.406 1.994 -12.465 1.00 15.03 H new ATOM 252 N GLY X 444 -7.317 4.419 -11.033 1.00 13.44 N ATOM 253 CA GLY X 444 -8.428 5.030 -10.329 1.00 40.13 C ATOM 254 C GLY X 444 -8.842 4.242 -9.102 1.00 0.11 C ATOM 255 O GLY X 444 -9.183 4.819 -8.070 1.00 20.11 O ATOM 0 H GLY X 444 -7.582 3.723 -11.730 1.00 13.44 H new ATOM 0 HA2 GLY X 444 -8.153 6.042 -10.031 1.00 40.13 H new ATOM 0 HA3 GLY X 444 -9.279 5.117 -11.005 1.00 40.13 H new ATOM 259 N ASP X 445 -8.814 2.918 -9.215 1.00 33.42 N ATOM 260 CA ASP X 445 -9.190 2.048 -8.106 1.00 63.12 C ATOM 261 C ASP X 445 -8.162 2.127 -6.981 1.00 60.55 C ATOM 262 O ASP X 445 -7.119 2.768 -7.122 1.00 54.13 O ATOM 263 CB ASP X 445 -9.327 0.603 -8.587 1.00 22.50 C ATOM 264 CG ASP X 445 -10.522 0.407 -9.499 1.00 62.43 C ATOM 265 OD1 ASP X 445 -11.324 1.355 -9.639 1.00 43.22 O ATOM 266 OD2 ASP X 445 -10.655 -0.693 -10.074 1.00 53.12 O ATOM 0 H ASP X 445 -8.535 2.424 -10.063 1.00 33.42 H new ATOM 0 HA ASP X 445 -10.152 2.387 -7.720 1.00 63.12 H new ATOM 0 HB2 ASP X 445 -8.419 0.311 -9.115 1.00 22.50 H new ATOM 0 HB3 ASP X 445 -9.420 -0.057 -7.724 1.00 22.50 H new ATOM 270 N LEU X 446 -8.464 1.474 -5.864 1.00 61.11 N ATOM 271 CA LEU X 446 -7.567 1.471 -4.714 1.00 30.24 C ATOM 272 C LEU X 446 -7.353 2.886 -4.186 1.00 5.04 C ATOM 273 O LEU X 446 -7.569 3.876 -4.887 1.00 32.22 O ATOM 274 CB LEU X 446 -6.223 0.847 -5.092 1.00 51.31 C ATOM 275 CG LEU X 446 -6.155 -0.681 -5.043 1.00 63.14 C ATOM 276 CD1 LEU X 446 -6.358 -1.179 -3.621 1.00 35.14 C ATOM 277 CD2 LEU X 446 -7.191 -1.290 -5.976 1.00 71.04 C ATOM 0 H LEU X 446 -9.323 0.940 -5.730 1.00 61.11 H new ATOM 0 HA LEU X 446 -8.029 0.875 -3.926 1.00 30.24 H new ATOM 0 HB2 LEU X 446 -5.966 1.170 -6.101 1.00 51.31 H new ATOM 0 HB3 LEU X 446 -5.459 1.246 -4.425 1.00 51.31 H new ATOM 0 HG LEU X 446 -5.165 -0.993 -5.377 1.00 63.14 H new ATOM 0 HD11 LEU X 446 -6.306 -2.268 -3.606 1.00 35.14 H new ATOM 0 HD12 LEU X 446 -5.579 -0.770 -2.978 1.00 35.14 H new ATOM 0 HD13 LEU X 446 -7.334 -0.857 -3.259 1.00 35.14 H new ATOM 0 HD21 LEU X 446 -7.129 -2.377 -5.929 1.00 71.04 H new ATOM 0 HD22 LEU X 446 -8.188 -0.970 -5.672 1.00 71.04 H new ATOM 0 HD23 LEU X 446 -7.000 -0.960 -6.997 1.00 71.04 H new ATOM 288 N PRO X 447 -6.915 2.988 -2.923 1.00 40.52 N ATOM 289 CA PRO X 447 -6.659 4.276 -2.275 1.00 65.30 C ATOM 290 C PRO X 447 -5.441 4.986 -2.856 1.00 43.30 C ATOM 291 O PRO X 447 -4.411 4.364 -3.114 1.00 40.53 O ATOM 292 CB PRO X 447 -6.407 3.895 -0.813 1.00 62.33 C ATOM 293 CG PRO X 447 -5.926 2.487 -0.867 1.00 3.31 C ATOM 294 CD PRO X 447 -6.636 1.850 -2.030 1.00 33.20 C ATOM 0 HA PRO X 447 -7.487 4.972 -2.412 1.00 65.30 H new ATOM 0 HB2 PRO X 447 -5.665 4.550 -0.355 1.00 62.33 H new ATOM 0 HB3 PRO X 447 -7.317 3.980 -0.219 1.00 62.33 H new ATOM 0 HG2 PRO X 447 -4.845 2.449 -1.002 1.00 3.31 H new ATOM 0 HG3 PRO X 447 -6.150 1.962 0.062 1.00 3.31 H new ATOM 0 HD2 PRO X 447 -6.015 1.099 -2.518 1.00 33.20 H new ATOM 0 HD3 PRO X 447 -7.553 1.351 -1.717 1.00 33.20 H new ATOM 299 N LYS X 448 -5.566 6.294 -3.062 1.00 14.21 N ATOM 300 CA LYS X 448 -4.476 7.089 -3.612 1.00 62.00 C ATOM 301 C LYS X 448 -3.568 7.611 -2.502 1.00 31.12 C ATOM 302 O LYS X 448 -2.343 7.546 -2.607 1.00 10.44 O ATOM 303 CB LYS X 448 -5.032 8.262 -4.424 1.00 73.50 C ATOM 304 CG LYS X 448 -5.952 7.837 -5.554 1.00 53.42 C ATOM 305 CD LYS X 448 -5.917 8.829 -6.705 1.00 4.51 C ATOM 306 CE LYS X 448 -6.767 10.055 -6.409 1.00 53.54 C ATOM 307 NZ LYS X 448 -6.559 11.130 -7.417 1.00 73.14 N ATOM 0 H LYS X 448 -6.412 6.825 -2.856 1.00 14.21 H new ATOM 0 HA LYS X 448 -3.887 6.447 -4.267 1.00 62.00 H new ATOM 0 HB2 LYS X 448 -5.576 8.930 -3.756 1.00 73.50 H new ATOM 0 HB3 LYS X 448 -4.201 8.832 -4.838 1.00 73.50 H new ATOM 0 HG2 LYS X 448 -5.657 6.851 -5.913 1.00 53.42 H new ATOM 0 HG3 LYS X 448 -6.972 7.748 -5.180 1.00 53.42 H new ATOM 0 HD2 LYS X 448 -4.888 9.135 -6.892 1.00 4.51 H new ATOM 0 HD3 LYS X 448 -6.276 8.346 -7.614 1.00 4.51 H new ATOM 0 HE2 LYS X 448 -7.819 9.772 -6.392 1.00 53.54 H new ATOM 0 HE3 LYS X 448 -6.523 10.435 -5.417 1.00 53.54 H new ATOM 0 HZ1 LYS X 448 -7.156 11.948 -7.180 1.00 73.14 H new ATOM 0 HZ2 LYS X 448 -5.560 11.418 -7.416 1.00 73.14 H new ATOM 0 HZ3 LYS X 448 -6.816 10.776 -8.360 1.00 73.14 H new ATOM 317 N PHE X 449 -4.178 8.124 -1.439 1.00 32.03 N ATOM 318 CA PHE X 449 -3.425 8.656 -0.309 1.00 42.40 C ATOM 319 C PHE X 449 -2.633 7.551 0.386 1.00 34.02 C ATOM 320 O PHE X 449 -1.464 7.731 0.727 1.00 50.33 O ATOM 321 CB PHE X 449 -4.368 9.328 0.690 1.00 23.45 C ATOM 322 CG PHE X 449 -4.995 10.590 0.168 1.00 70.52 C ATOM 323 CD1 PHE X 449 -4.239 11.741 0.013 1.00 43.20 C ATOM 324 CD2 PHE X 449 -6.339 10.625 -0.168 1.00 0.32 C ATOM 325 CE1 PHE X 449 -4.811 12.904 -0.468 1.00 54.21 C ATOM 326 CE2 PHE X 449 -6.916 11.785 -0.649 1.00 14.43 C ATOM 327 CZ PHE X 449 -6.153 12.926 -0.798 1.00 51.14 C ATOM 0 H PHE X 449 -5.191 8.183 -1.336 1.00 32.03 H new ATOM 0 HA PHE X 449 -2.723 9.398 -0.690 1.00 42.40 H new ATOM 0 HB2 PHE X 449 -5.156 8.626 0.962 1.00 23.45 H new ATOM 0 HB3 PHE X 449 -3.816 9.556 1.602 1.00 23.45 H new ATOM 0 HD1 PHE X 449 -3.190 11.729 0.271 1.00 43.20 H new ATOM 0 HD2 PHE X 449 -6.942 9.736 -0.053 1.00 0.32 H new ATOM 0 HE1 PHE X 449 -4.210 13.794 -0.586 1.00 54.21 H new ATOM 0 HE2 PHE X 449 -7.964 11.799 -0.908 1.00 14.43 H new ATOM 0 HZ PHE X 449 -6.604 13.834 -1.172 1.00 51.14 H new ATOM 336 N ILE X 450 -3.281 6.410 0.593 1.00 25.32 N ATOM 337 CA ILE X 450 -2.639 5.276 1.246 1.00 11.31 C ATOM 338 C ILE X 450 -1.477 4.746 0.412 1.00 33.23 C ATOM 339 O ILE X 450 -0.363 4.592 0.911 1.00 25.32 O ATOM 340 CB ILE X 450 -3.639 4.132 1.499 1.00 11.41 C ATOM 341 CG1 ILE X 450 -4.903 4.669 2.172 1.00 44.32 C ATOM 342 CG2 ILE X 450 -2.997 3.047 2.352 1.00 35.30 C ATOM 343 CD1 ILE X 450 -4.634 5.386 3.477 1.00 52.51 C ATOM 0 H ILE X 450 -4.250 6.246 0.318 1.00 25.32 H new ATOM 0 HA ILE X 450 -2.261 5.636 2.203 1.00 11.31 H new ATOM 0 HB ILE X 450 -3.919 3.695 0.540 1.00 11.41 H new ATOM 0 HG12 ILE X 450 -5.407 5.352 1.488 1.00 44.32 H new ATOM 0 HG13 ILE X 450 -5.587 3.841 2.356 1.00 44.32 H new ATOM 0 HG21 ILE X 450 -3.716 2.245 2.522 1.00 35.30 H new ATOM 0 HG22 ILE X 450 -2.124 2.648 1.836 1.00 35.30 H new ATOM 0 HG23 ILE X 450 -2.691 3.470 3.309 1.00 35.30 H new ATOM 0 HD11 ILE X 450 -5.575 5.740 3.898 1.00 52.51 H new ATOM 0 HD12 ILE X 450 -4.158 4.700 4.178 1.00 52.51 H new ATOM 0 HD13 ILE X 450 -3.975 6.235 3.296 1.00 52.51 H new ATOM 354 N GLU X 451 -1.747 4.472 -0.860 1.00 1.30 N ATOM 355 CA GLU X 451 -0.723 3.960 -1.764 1.00 54.42 C ATOM 356 C GLU X 451 0.397 4.981 -1.951 1.00 44.11 C ATOM 357 O GLU X 451 1.550 4.616 -2.178 1.00 31.34 O ATOM 358 CB GLU X 451 -1.337 3.608 -3.120 1.00 73.44 C ATOM 359 CG GLU X 451 -1.670 4.821 -3.972 1.00 32.04 C ATOM 360 CD GLU X 451 -2.231 4.445 -5.330 1.00 20.32 C ATOM 361 OE1 GLU X 451 -2.977 3.447 -5.408 1.00 4.44 O ATOM 362 OE2 GLU X 451 -1.924 5.150 -6.314 1.00 72.52 O ATOM 0 H GLU X 451 -2.665 4.596 -1.288 1.00 1.30 H new ATOM 0 HA GLU X 451 -0.301 3.059 -1.320 1.00 54.42 H new ATOM 0 HB2 GLU X 451 -0.644 2.969 -3.668 1.00 73.44 H new ATOM 0 HB3 GLU X 451 -2.246 3.028 -2.958 1.00 73.44 H new ATOM 0 HG2 GLU X 451 -2.393 5.443 -3.444 1.00 32.04 H new ATOM 0 HG3 GLU X 451 -0.771 5.422 -4.108 1.00 32.04 H new ATOM 367 N GLU X 452 0.046 6.259 -1.853 1.00 43.54 N ATOM 368 CA GLU X 452 1.022 7.332 -2.012 1.00 75.14 C ATOM 369 C GLU X 452 1.897 7.461 -0.768 1.00 10.33 C ATOM 370 O GLU X 452 3.122 7.548 -0.864 1.00 62.14 O ATOM 371 CB GLU X 452 0.312 8.659 -2.289 1.00 22.31 C ATOM 372 CG GLU X 452 1.261 9.835 -2.445 1.00 64.41 C ATOM 373 CD GLU X 452 0.556 11.096 -2.906 1.00 35.14 C ATOM 374 OE1 GLU X 452 -0.147 11.717 -2.080 1.00 10.14 O ATOM 375 OE2 GLU X 452 0.706 11.462 -4.090 1.00 42.21 O ATOM 0 H GLU X 452 -0.905 6.577 -1.665 1.00 43.54 H new ATOM 0 HA GLU X 452 1.661 7.085 -2.860 1.00 75.14 H new ATOM 0 HB2 GLU X 452 -0.283 8.560 -3.197 1.00 22.31 H new ATOM 0 HB3 GLU X 452 -0.381 8.868 -1.474 1.00 22.31 H new ATOM 0 HG2 GLU X 452 1.755 10.027 -1.493 1.00 64.41 H new ATOM 0 HG3 GLU X 452 2.040 9.576 -3.162 1.00 64.41 H new ATOM 380 N THR X 453 1.260 7.472 0.398 1.00 42.14 N ATOM 381 CA THR X 453 1.979 7.592 1.660 1.00 1.30 C ATOM 382 C THR X 453 2.775 6.329 1.962 1.00 30.24 C ATOM 383 O THR X 453 3.845 6.388 2.565 1.00 13.44 O ATOM 384 CB THR X 453 1.015 7.870 2.831 1.00 5.33 C ATOM 385 OG1 THR X 453 1.759 8.236 3.998 1.00 45.05 O ATOM 386 CG2 THR X 453 0.160 6.648 3.128 1.00 64.03 C ATOM 0 H THR X 453 0.247 7.399 0.495 1.00 42.14 H new ATOM 0 HA THR X 453 2.664 8.433 1.554 1.00 1.30 H new ATOM 0 HB THR X 453 0.357 8.692 2.548 1.00 5.33 H new ATOM 0 HG1 THR X 453 1.141 8.413 4.738 1.00 45.05 H new ATOM 0 HG21 THR X 453 -0.512 6.867 3.957 1.00 64.03 H new ATOM 0 HG22 THR X 453 -0.425 6.390 2.245 1.00 64.03 H new ATOM 0 HG23 THR X 453 0.804 5.810 3.394 1.00 64.03 H new ATOM 394 N GLU X 454 2.245 5.185 1.537 1.00 61.44 N ATOM 395 CA GLU X 454 2.909 3.907 1.762 1.00 4.33 C ATOM 396 C GLU X 454 4.126 3.757 0.854 1.00 54.22 C ATOM 397 O GLU X 454 5.219 3.422 1.311 1.00 33.03 O ATOM 398 CB GLU X 454 1.935 2.751 1.521 1.00 4.25 C ATOM 399 CG GLU X 454 2.374 1.443 2.156 1.00 54.45 C ATOM 400 CD GLU X 454 1.212 0.508 2.429 1.00 73.14 C ATOM 401 OE1 GLU X 454 0.224 0.952 3.050 1.00 25.31 O ATOM 402 OE2 GLU X 454 1.290 -0.670 2.020 1.00 32.21 O ATOM 0 H GLU X 454 1.359 5.118 1.036 1.00 61.44 H new ATOM 0 HA GLU X 454 3.245 3.880 2.798 1.00 4.33 H new ATOM 0 HB2 GLU X 454 0.955 3.025 1.913 1.00 4.25 H new ATOM 0 HB3 GLU X 454 1.819 2.603 0.447 1.00 4.25 H new ATOM 0 HG2 GLU X 454 3.088 0.946 1.499 1.00 54.45 H new ATOM 0 HG3 GLU X 454 2.893 1.654 3.091 1.00 54.45 H new ATOM 407 N LYS X 455 3.929 4.008 -0.436 1.00 25.33 N ATOM 408 CA LYS X 455 5.008 3.904 -1.411 1.00 0.54 C ATOM 409 C LYS X 455 6.112 4.912 -1.110 1.00 62.42 C ATOM 410 O LYS X 455 7.299 4.590 -1.188 1.00 21.12 O ATOM 411 CB LYS X 455 4.468 4.129 -2.825 1.00 34.23 C ATOM 412 CG LYS X 455 5.551 4.159 -3.891 1.00 13.52 C ATOM 413 CD LYS X 455 5.832 5.576 -4.361 1.00 51.32 C ATOM 414 CE LYS X 455 7.293 5.950 -4.160 1.00 3.43 C ATOM 415 NZ LYS X 455 7.711 7.055 -5.067 1.00 10.05 N ATOM 0 H LYS X 455 3.030 4.285 -0.831 1.00 25.33 H new ATOM 0 HA LYS X 455 5.429 2.901 -1.345 1.00 0.54 H new ATOM 0 HB2 LYS X 455 3.757 3.338 -3.064 1.00 34.23 H new ATOM 0 HB3 LYS X 455 3.919 5.070 -2.850 1.00 34.23 H new ATOM 0 HG2 LYS X 455 6.466 3.718 -3.494 1.00 13.52 H new ATOM 0 HG3 LYS X 455 5.245 3.547 -4.740 1.00 13.52 H new ATOM 0 HD2 LYS X 455 5.573 5.669 -5.416 1.00 51.32 H new ATOM 0 HD3 LYS X 455 5.198 6.274 -3.815 1.00 51.32 H new ATOM 0 HE2 LYS X 455 7.452 6.250 -3.124 1.00 3.43 H new ATOM 0 HE3 LYS X 455 7.920 5.076 -4.339 1.00 3.43 H new ATOM 0 HZ1 LYS X 455 8.712 7.281 -4.900 1.00 10.05 H new ATOM 0 HZ2 LYS X 455 7.583 6.760 -6.056 1.00 10.05 H new ATOM 0 HZ3 LYS X 455 7.130 7.897 -4.879 1.00 10.05 H new ATOM 425 N LYS X 456 5.716 6.131 -0.764 1.00 23.55 N ATOM 426 CA LYS X 456 6.672 7.186 -0.448 1.00 51.54 C ATOM 427 C LYS X 456 7.502 6.818 0.778 1.00 23.14 C ATOM 428 O LYS X 456 8.699 7.102 0.836 1.00 54.11 O ATOM 429 CB LYS X 456 5.941 8.508 -0.204 1.00 65.35 C ATOM 430 CG LYS X 456 5.488 9.197 -1.480 1.00 12.34 C ATOM 431 CD LYS X 456 4.525 10.336 -1.188 1.00 41.13 C ATOM 432 CE LYS X 456 5.267 11.625 -0.871 1.00 35.30 C ATOM 433 NZ LYS X 456 4.423 12.826 -1.122 1.00 61.51 N ATOM 0 H LYS X 456 4.738 6.414 -0.695 1.00 23.55 H new ATOM 0 HA LYS X 456 7.344 7.301 -1.299 1.00 51.54 H new ATOM 0 HB2 LYS X 456 5.072 8.322 0.427 1.00 65.35 H new ATOM 0 HB3 LYS X 456 6.598 9.180 0.348 1.00 65.35 H new ATOM 0 HG2 LYS X 456 6.356 9.582 -2.015 1.00 12.34 H new ATOM 0 HG3 LYS X 456 5.006 8.471 -2.135 1.00 12.34 H new ATOM 0 HD2 LYS X 456 3.873 10.492 -2.047 1.00 41.13 H new ATOM 0 HD3 LYS X 456 3.885 10.067 -0.347 1.00 41.13 H new ATOM 0 HE2 LYS X 456 5.584 11.615 0.172 1.00 35.30 H new ATOM 0 HE3 LYS X 456 6.171 11.683 -1.478 1.00 35.30 H new ATOM 0 HZ1 LYS X 456 4.964 13.684 -0.894 1.00 61.51 H new ATOM 0 HZ2 LYS X 456 4.142 12.850 -2.123 1.00 61.51 H new ATOM 0 HZ3 LYS X 456 3.573 12.784 -0.524 1.00 61.51 H new ATOM 443 N ARG X 457 6.860 6.185 1.754 1.00 71.11 N ATOM 444 CA ARG X 457 7.539 5.779 2.978 1.00 35.12 C ATOM 445 C ARG X 457 8.565 4.685 2.693 1.00 55.14 C ATOM 446 O ARG X 457 9.711 4.763 3.139 1.00 20.31 O ATOM 447 CB ARG X 457 6.525 5.285 4.011 1.00 21.50 C ATOM 448 CG ARG X 457 5.924 6.398 4.854 1.00 50.23 C ATOM 449 CD ARG X 457 6.885 6.856 5.939 1.00 12.04 C ATOM 450 NE ARG X 457 6.191 7.525 7.038 1.00 20.01 N ATOM 451 CZ ARG X 457 5.440 6.888 7.929 1.00 74.42 C ATOM 452 NH1 ARG X 457 5.286 5.574 7.853 1.00 71.32 N ATOM 453 NH2 ARG X 457 4.841 7.566 8.899 1.00 51.31 N ATOM 0 H ARG X 457 5.870 5.942 1.721 1.00 71.11 H new ATOM 0 HA ARG X 457 8.061 6.648 3.379 1.00 35.12 H new ATOM 0 HB2 ARG X 457 5.723 4.757 3.496 1.00 21.50 H new ATOM 0 HB3 ARG X 457 7.011 4.564 4.669 1.00 21.50 H new ATOM 0 HG2 ARG X 457 5.667 7.242 4.214 1.00 50.23 H new ATOM 0 HG3 ARG X 457 4.997 6.050 5.310 1.00 50.23 H new ATOM 0 HD2 ARG X 457 7.432 5.996 6.326 1.00 12.04 H new ATOM 0 HD3 ARG X 457 7.621 7.535 5.508 1.00 12.04 H new ATOM 0 HE ARG X 457 6.289 8.537 7.125 1.00 20.01 H new ATOM 0 HH11 ARG X 457 5.745 5.049 7.109 1.00 71.32 H new ATOM 0 HH12 ARG X 457 4.709 5.088 8.539 1.00 71.32 H new ATOM 0 HH21 ARG X 457 4.957 8.577 8.961 1.00 51.31 H new ATOM 0 HH22 ARG X 457 4.264 7.076 9.583 1.00 51.31 H new ATOM 464 N ILE X 458 8.145 3.667 1.950 1.00 20.05 N ATOM 465 CA ILE X 458 9.026 2.559 1.606 1.00 63.42 C ATOM 466 C ILE X 458 10.247 3.046 0.833 1.00 45.00 C ATOM 467 O ILE X 458 11.385 2.767 1.212 1.00 10.42 O ATOM 468 CB ILE X 458 8.293 1.496 0.767 1.00 44.32 C ATOM 469 CG1 ILE X 458 7.127 0.902 1.561 1.00 22.12 C ATOM 470 CG2 ILE X 458 9.258 0.402 0.336 1.00 21.14 C ATOM 471 CD1 ILE X 458 7.564 -0.032 2.667 1.00 74.53 C ATOM 0 H ILE X 458 7.200 3.587 1.575 1.00 20.05 H new ATOM 0 HA ILE X 458 9.349 2.110 2.545 1.00 63.42 H new ATOM 0 HB ILE X 458 7.893 1.974 -0.127 1.00 44.32 H new ATOM 0 HG12 ILE X 458 6.541 1.713 1.992 1.00 22.12 H new ATOM 0 HG13 ILE X 458 6.471 0.362 0.878 1.00 22.12 H new ATOM 0 HG21 ILE X 458 8.724 -0.341 -0.256 1.00 21.14 H new ATOM 0 HG22 ILE X 458 10.057 0.837 -0.263 1.00 21.14 H new ATOM 0 HG23 ILE X 458 9.685 -0.075 1.218 1.00 21.14 H new ATOM 0 HD11 ILE X 458 6.686 -0.415 3.187 1.00 74.53 H new ATOM 0 HD12 ILE X 458 8.125 -0.864 2.241 1.00 74.53 H new ATOM 0 HD13 ILE X 458 8.196 0.509 3.371 1.00 74.53 H new ATOM 482 N ILE X 459 10.003 3.776 -0.249 1.00 30.41 N ATOM 483 CA ILE X 459 11.082 4.306 -1.073 1.00 14.13 C ATOM 484 C ILE X 459 11.965 5.261 -0.276 1.00 54.12 C ATOM 485 O ILE X 459 13.181 5.296 -0.459 1.00 73.32 O ATOM 486 CB ILE X 459 10.536 5.041 -2.311 1.00 61.15 C ATOM 487 CG1 ILE X 459 11.677 5.375 -3.277 1.00 64.43 C ATOM 488 CG2 ILE X 459 9.801 6.306 -1.895 1.00 60.12 C ATOM 489 CD1 ILE X 459 11.291 5.244 -4.734 1.00 14.20 C ATOM 0 H ILE X 459 9.067 4.014 -0.576 1.00 30.41 H new ATOM 0 HA ILE X 459 11.677 3.453 -1.400 1.00 14.13 H new ATOM 0 HB ILE X 459 9.831 4.386 -2.822 1.00 61.15 H new ATOM 0 HG12 ILE X 459 12.015 6.394 -3.089 1.00 64.43 H new ATOM 0 HG13 ILE X 459 12.521 4.716 -3.072 1.00 64.43 H new ATOM 0 HG21 ILE X 459 9.421 6.814 -2.781 1.00 60.12 H new ATOM 0 HG22 ILE X 459 8.969 6.045 -1.242 1.00 60.12 H new ATOM 0 HG23 ILE X 459 10.486 6.967 -1.364 1.00 60.12 H new ATOM 0 HD11 ILE X 459 12.146 5.495 -5.361 1.00 14.20 H new ATOM 0 HD12 ILE X 459 10.981 4.219 -4.937 1.00 14.20 H new ATOM 0 HD13 ILE X 459 10.467 5.923 -4.955 1.00 14.20 H new ATOM 500 N GLU X 460 11.342 6.032 0.610 1.00 70.03 N ATOM 501 CA GLU X 460 12.072 6.987 1.436 1.00 55.24 C ATOM 502 C GLU X 460 13.053 6.271 2.359 1.00 12.02 C ATOM 503 O GLU X 460 14.234 6.611 2.412 1.00 12.20 O ATOM 504 CB GLU X 460 11.098 7.829 2.263 1.00 64.30 C ATOM 505 CG GLU X 460 11.778 8.687 3.317 1.00 23.33 C ATOM 506 CD GLU X 460 10.904 9.832 3.790 1.00 20.45 C ATOM 507 OE1 GLU X 460 9.721 9.583 4.105 1.00 74.02 O ATOM 508 OE2 GLU X 460 11.402 10.975 3.846 1.00 44.32 O ATOM 0 H GLU X 460 10.335 6.014 0.774 1.00 70.03 H new ATOM 0 HA GLU X 460 12.637 7.643 0.774 1.00 55.24 H new ATOM 0 HB2 GLU X 460 10.529 8.474 1.593 1.00 64.30 H new ATOM 0 HB3 GLU X 460 10.383 7.167 2.751 1.00 64.30 H new ATOM 0 HG2 GLU X 460 12.046 8.063 4.170 1.00 23.33 H new ATOM 0 HG3 GLU X 460 12.707 9.088 2.910 1.00 23.33 H new ATOM 513 N ALA X 461 12.553 5.275 3.086 1.00 23.10 N ATOM 514 CA ALA X 461 13.384 4.509 4.006 1.00 30.24 C ATOM 515 C ALA X 461 14.519 3.808 3.267 1.00 45.21 C ATOM 516 O ALA X 461 15.666 3.817 3.716 1.00 60.24 O ATOM 517 CB ALA X 461 12.538 3.496 4.761 1.00 43.23 C ATOM 0 H ALA X 461 11.577 4.981 3.055 1.00 23.10 H new ATOM 0 HA ALA X 461 13.826 5.202 4.722 1.00 30.24 H new ATOM 0 HB1 ALA X 461 13.171 2.931 5.445 1.00 43.23 H new ATOM 0 HB2 ALA X 461 11.766 4.017 5.328 1.00 43.23 H new ATOM 0 HB3 ALA X 461 12.069 2.813 4.052 1.00 43.23 H new ATOM 523 N LEU X 462 14.192 3.199 2.131 1.00 41.14 N ATOM 524 CA LEU X 462 15.184 2.493 1.329 1.00 32.12 C ATOM 525 C LEU X 462 16.320 3.425 0.920 1.00 23.05 C ATOM 526 O LEU X 462 17.489 3.142 1.174 1.00 51.52 O ATOM 527 CB LEU X 462 14.528 1.892 0.084 1.00 22.31 C ATOM 528 CG LEU X 462 13.859 0.531 0.269 1.00 14.31 C ATOM 529 CD1 LEU X 462 12.901 0.246 -0.878 1.00 13.41 C ATOM 530 CD2 LEU X 462 14.905 -0.569 0.377 1.00 72.43 C ATOM 0 H LEU X 462 13.248 3.181 1.746 1.00 41.14 H new ATOM 0 HA LEU X 462 15.600 1.690 1.937 1.00 32.12 H new ATOM 0 HB2 LEU X 462 13.780 2.595 -0.283 1.00 22.31 H new ATOM 0 HB3 LEU X 462 15.287 1.799 -0.693 1.00 22.31 H new ATOM 0 HG LEU X 462 13.287 0.553 1.197 1.00 14.31 H new ATOM 0 HD11 LEU X 462 12.434 -0.728 -0.729 1.00 13.41 H new ATOM 0 HD12 LEU X 462 12.131 1.017 -0.909 1.00 13.41 H new ATOM 0 HD13 LEU X 462 13.451 0.244 -1.819 1.00 13.41 H new ATOM 0 HD21 LEU X 462 14.409 -1.531 0.508 1.00 72.43 H new ATOM 0 HD22 LEU X 462 15.505 -0.591 -0.533 1.00 72.43 H new ATOM 0 HD23 LEU X 462 15.551 -0.374 1.233 1.00 72.43 H new ATOM 541 N GLU X 463 15.965 4.539 0.288 1.00 4.01 N ATOM 542 CA GLU X 463 16.955 5.514 -0.155 1.00 14.12 C ATOM 543 C GLU X 463 17.782 6.022 1.023 1.00 33.23 C ATOM 544 O GLU X 463 18.987 6.243 0.901 1.00 3.32 O ATOM 545 CB GLU X 463 16.268 6.690 -0.854 1.00 41.55 C ATOM 546 CG GLU X 463 15.424 6.279 -2.048 1.00 22.34 C ATOM 547 CD GLU X 463 16.069 6.641 -3.371 1.00 10.40 C ATOM 548 OE1 GLU X 463 17.312 6.757 -3.414 1.00 21.41 O ATOM 549 OE2 GLU X 463 15.331 6.808 -4.364 1.00 1.41 O ATOM 0 H GLU X 463 15.000 4.789 0.071 1.00 4.01 H new ATOM 0 HA GLU X 463 17.623 5.021 -0.861 1.00 14.12 H new ATOM 0 HB2 GLU X 463 15.636 7.210 -0.135 1.00 41.55 H new ATOM 0 HB3 GLU X 463 17.027 7.400 -1.183 1.00 41.55 H new ATOM 0 HG2 GLU X 463 15.253 5.203 -2.014 1.00 22.34 H new ATOM 0 HG3 GLU X 463 14.448 6.759 -1.981 1.00 22.34 H new ATOM 554 N LYS X 464 17.127 6.206 2.164 1.00 23.51 N ATOM 555 CA LYS X 464 17.800 6.687 3.365 1.00 44.12 C ATOM 556 C LYS X 464 18.684 5.598 3.965 1.00 71.21 C ATOM 557 O LYS X 464 19.645 5.887 4.679 1.00 34.14 O ATOM 558 CB LYS X 464 16.772 7.152 4.399 1.00 41.33 C ATOM 559 CG LYS X 464 16.425 8.626 4.291 1.00 1.43 C ATOM 560 CD LYS X 464 15.039 8.915 4.842 1.00 74.45 C ATOM 561 CE LYS X 464 15.059 9.056 6.357 1.00 13.32 C ATOM 562 NZ LYS X 464 15.513 10.409 6.782 1.00 54.43 N ATOM 0 H LYS X 464 16.129 6.029 2.283 1.00 23.51 H new ATOM 0 HA LYS X 464 18.431 7.530 3.085 1.00 44.12 H new ATOM 0 HB2 LYS X 464 15.862 6.564 4.284 1.00 41.33 H new ATOM 0 HB3 LYS X 464 17.158 6.950 5.398 1.00 41.33 H new ATOM 0 HG2 LYS X 464 17.164 9.215 4.835 1.00 1.43 H new ATOM 0 HG3 LYS X 464 16.475 8.937 3.247 1.00 1.43 H new ATOM 0 HD2 LYS X 464 14.653 9.831 4.395 1.00 74.45 H new ATOM 0 HD3 LYS X 464 14.359 8.111 4.559 1.00 74.45 H new ATOM 0 HE2 LYS X 464 14.061 8.867 6.753 1.00 13.32 H new ATOM 0 HE3 LYS X 464 15.719 8.301 6.783 1.00 13.32 H new ATOM 0 HZ1 LYS X 464 15.513 10.465 7.820 1.00 54.43 H new ATOM 0 HZ2 LYS X 464 16.475 10.580 6.426 1.00 54.43 H new ATOM 0 HZ3 LYS X 464 14.868 11.128 6.396 1.00 54.43 H new ATOM 572 N THR X 465 18.353 4.344 3.672 1.00 13.11 N ATOM 573 CA THR X 465 19.117 3.213 4.182 1.00 52.11 C ATOM 574 C THR X 465 20.195 2.786 3.193 1.00 75.51 C ATOM 575 O THR X 465 21.081 2.000 3.526 1.00 65.34 O ATOM 576 CB THR X 465 18.205 2.008 4.482 1.00 42.21 C ATOM 577 OG1 THR X 465 17.417 1.693 3.329 1.00 52.14 O ATOM 578 CG2 THR X 465 17.291 2.300 5.662 1.00 61.42 C ATOM 0 H THR X 465 17.560 4.087 3.084 1.00 13.11 H new ATOM 0 HA THR X 465 19.588 3.542 5.108 1.00 52.11 H new ATOM 0 HB THR X 465 18.837 1.157 4.735 1.00 42.21 H new ATOM 0 HG1 THR X 465 17.740 2.209 2.561 1.00 52.14 H new ATOM 0 HG21 THR X 465 16.657 1.434 5.854 1.00 61.42 H new ATOM 0 HG22 THR X 465 17.894 2.512 6.545 1.00 61.42 H new ATOM 0 HG23 THR X 465 16.666 3.164 5.433 1.00 61.42 H new ATOM 586 N GLY X 466 20.115 3.312 1.974 1.00 31.45 N ATOM 587 CA GLY X 466 21.091 2.973 0.955 1.00 73.12 C ATOM 588 C GLY X 466 20.613 1.863 0.040 1.00 2.02 C ATOM 589 O GLY X 466 21.390 0.988 -0.344 1.00 72.31 O ATOM 0 H GLY X 466 19.392 3.966 1.675 1.00 31.45 H new ATOM 0 HA2 GLY X 466 21.314 3.859 0.360 1.00 73.12 H new ATOM 0 HA3 GLY X 466 22.021 2.669 1.434 1.00 73.12 H new ATOM 593 N TYR X 467 19.332 1.898 -0.309 1.00 22.12 N ATOM 594 CA TYR X 467 18.750 0.884 -1.182 1.00 42.34 C ATOM 595 C TYR X 467 18.876 -0.505 -0.563 1.00 41.45 C ATOM 596 O TYR X 467 19.353 -1.441 -1.203 1.00 0.12 O ATOM 597 CB TYR X 467 19.432 0.908 -2.551 1.00 12.11 C ATOM 598 CG TYR X 467 19.330 2.243 -3.254 1.00 64.22 C ATOM 599 CD1 TYR X 467 18.094 2.817 -3.522 1.00 21.24 C ATOM 600 CD2 TYR X 467 20.471 2.930 -3.651 1.00 42.12 C ATOM 601 CE1 TYR X 467 17.996 4.036 -4.164 1.00 75.11 C ATOM 602 CE2 TYR X 467 20.384 4.150 -4.293 1.00 24.43 C ATOM 603 CZ TYR X 467 19.144 4.698 -4.547 1.00 42.32 C ATOM 604 OH TYR X 467 19.052 5.913 -5.187 1.00 45.41 O ATOM 0 H TYR X 467 18.677 2.617 -0.001 1.00 22.12 H new ATOM 0 HA TYR X 467 17.691 1.112 -1.306 1.00 42.34 H new ATOM 0 HB2 TYR X 467 20.484 0.651 -2.428 1.00 12.11 H new ATOM 0 HB3 TYR X 467 18.987 0.139 -3.183 1.00 12.11 H new ATOM 0 HD1 TYR X 467 17.194 2.301 -3.223 1.00 21.24 H new ATOM 0 HD2 TYR X 467 21.443 2.502 -3.454 1.00 42.12 H new ATOM 0 HE1 TYR X 467 17.027 4.468 -4.365 1.00 75.11 H new ATOM 0 HE2 TYR X 467 21.281 4.671 -4.594 1.00 24.43 H new ATOM 0 HH TYR X 467 18.533 6.535 -4.635 1.00 45.41 H new ATOM 613 N VAL X 468 18.444 -0.630 0.687 1.00 21.22 N ATOM 614 CA VAL X 468 18.505 -1.903 1.394 1.00 11.54 C ATOM 615 C VAL X 468 17.140 -2.289 1.953 1.00 22.10 C ATOM 616 O VAL X 468 16.548 -1.551 2.742 1.00 25.15 O ATOM 617 CB VAL X 468 19.526 -1.856 2.548 1.00 23.32 C ATOM 618 CG1 VAL X 468 19.672 -3.229 3.187 1.00 2.22 C ATOM 619 CG2 VAL X 468 20.868 -1.345 2.051 1.00 32.52 C ATOM 0 H VAL X 468 18.047 0.136 1.232 1.00 21.22 H new ATOM 0 HA VAL X 468 18.821 -2.652 0.668 1.00 11.54 H new ATOM 0 HB VAL X 468 19.159 -1.165 3.307 1.00 23.32 H new ATOM 0 HG11 VAL X 468 20.397 -3.177 4.000 1.00 2.22 H new ATOM 0 HG12 VAL X 468 18.708 -3.552 3.581 1.00 2.22 H new ATOM 0 HG13 VAL X 468 20.016 -3.944 2.439 1.00 2.22 H new ATOM 0 HG21 VAL X 468 21.576 -1.318 2.879 1.00 32.52 H new ATOM 0 HG22 VAL X 468 21.244 -2.009 1.272 1.00 32.52 H new ATOM 0 HG23 VAL X 468 20.747 -0.341 1.645 1.00 32.52 H new ATOM 629 N LYS X 469 16.644 -3.450 1.539 1.00 2.33 N ATOM 630 CA LYS X 469 15.349 -3.937 1.999 1.00 73.34 C ATOM 631 C LYS X 469 15.381 -4.242 3.493 1.00 0.52 C ATOM 632 O LYS X 469 14.488 -3.839 4.237 1.00 43.22 O ATOM 633 CB LYS X 469 14.946 -5.191 1.220 1.00 64.33 C ATOM 634 CG LYS X 469 14.434 -4.899 -0.180 1.00 65.33 C ATOM 635 CD LYS X 469 14.530 -6.122 -1.075 1.00 74.35 C ATOM 636 CE LYS X 469 13.679 -5.966 -2.327 1.00 63.33 C ATOM 637 NZ LYS X 469 12.264 -6.369 -2.088 1.00 50.11 N ATOM 0 H LYS X 469 17.120 -4.072 0.885 1.00 2.33 H new ATOM 0 HA LYS X 469 14.611 -3.154 1.822 1.00 73.34 H new ATOM 0 HB2 LYS X 469 15.805 -5.858 1.152 1.00 64.33 H new ATOM 0 HB3 LYS X 469 14.174 -5.722 1.777 1.00 64.33 H new ATOM 0 HG2 LYS X 469 13.397 -4.566 -0.127 1.00 65.33 H new ATOM 0 HG3 LYS X 469 15.009 -4.082 -0.616 1.00 65.33 H new ATOM 0 HD2 LYS X 469 15.570 -6.286 -1.359 1.00 74.35 H new ATOM 0 HD3 LYS X 469 14.208 -7.005 -0.522 1.00 74.35 H new ATOM 0 HE2 LYS X 469 13.710 -4.929 -2.661 1.00 63.33 H new ATOM 0 HE3 LYS X 469 14.099 -6.572 -3.130 1.00 63.33 H new ATOM 0 HZ1 LYS X 469 11.665 -6.004 -2.855 1.00 50.11 H new ATOM 0 HZ2 LYS X 469 12.198 -7.407 -2.062 1.00 50.11 H new ATOM 0 HZ3 LYS X 469 11.940 -5.978 -1.180 1.00 50.11 H new ATOM 647 N SER X 470 16.417 -4.956 3.924 1.00 71.13 N ATOM 648 CA SER X 470 16.563 -5.317 5.329 1.00 51.22 C ATOM 649 C SER X 470 16.510 -4.077 6.217 1.00 51.22 C ATOM 650 O SER X 470 15.743 -4.021 7.178 1.00 14.32 O ATOM 651 CB SER X 470 17.882 -6.061 5.551 1.00 52.44 C ATOM 652 OG SER X 470 18.064 -7.076 4.579 1.00 5.24 O ATOM 0 H SER X 470 17.166 -5.295 3.321 1.00 71.13 H new ATOM 0 HA SER X 470 15.734 -5.971 5.599 1.00 51.22 H new ATOM 0 HB2 SER X 470 18.713 -5.357 5.506 1.00 52.44 H new ATOM 0 HB3 SER X 470 17.891 -6.502 6.548 1.00 52.44 H new ATOM 0 HG SER X 470 18.914 -7.536 4.741 1.00 5.24 H new ATOM 657 N ARG X 471 17.331 -3.085 5.888 1.00 75.24 N ATOM 658 CA ARG X 471 17.380 -1.847 6.655 1.00 11.02 C ATOM 659 C ARG X 471 16.065 -1.082 6.535 1.00 64.24 C ATOM 660 O ARG X 471 15.489 -0.657 7.536 1.00 23.30 O ATOM 661 CB ARG X 471 18.538 -0.971 6.177 1.00 3.34 C ATOM 662 CG ARG X 471 19.907 -1.585 6.420 1.00 74.42 C ATOM 663 CD ARG X 471 20.965 -0.963 5.521 1.00 11.42 C ATOM 664 NE ARG X 471 22.263 -0.874 6.184 1.00 42.13 N ATOM 665 CZ ARG X 471 22.517 -0.047 7.193 1.00 73.44 C ATOM 666 NH1 ARG X 471 21.567 0.756 7.652 1.00 54.24 N ATOM 667 NH2 ARG X 471 23.724 -0.024 7.744 1.00 13.40 N ATOM 0 H ARG X 471 17.972 -3.115 5.095 1.00 75.24 H new ATOM 0 HA ARG X 471 17.537 -2.104 7.703 1.00 11.02 H new ATOM 0 HB2 ARG X 471 18.420 -0.778 5.111 1.00 3.34 H new ATOM 0 HB3 ARG X 471 18.486 -0.007 6.683 1.00 3.34 H new ATOM 0 HG2 ARG X 471 20.189 -1.447 7.464 1.00 74.42 H new ATOM 0 HG3 ARG X 471 19.862 -2.659 6.241 1.00 74.42 H new ATOM 0 HD2 ARG X 471 21.062 -1.556 4.612 1.00 11.42 H new ATOM 0 HD3 ARG X 471 20.643 0.034 5.219 1.00 11.42 H new ATOM 0 HE ARG X 471 23.015 -1.479 5.855 1.00 42.13 H new ATOM 0 HH11 ARG X 471 20.638 0.740 7.231 1.00 54.24 H new ATOM 0 HH12 ARG X 471 21.765 1.390 8.426 1.00 54.24 H new ATOM 0 HH21 ARG X 471 24.457 -0.641 7.393 1.00 13.40 H new ATOM 0 HH22 ARG X 471 23.919 0.611 8.518 1.00 13.40 H new ATOM 678 N ALA X 472 15.598 -0.907 5.303 1.00 63.50 N ATOM 679 CA ALA X 472 14.352 -0.195 5.052 1.00 51.02 C ATOM 680 C ALA X 472 13.196 -0.821 5.823 1.00 14.44 C ATOM 681 O ALA X 472 12.295 -0.122 6.286 1.00 62.31 O ATOM 682 CB ALA X 472 14.046 -0.176 3.561 1.00 12.21 C ATOM 0 H ALA X 472 16.065 -1.249 4.463 1.00 63.50 H new ATOM 0 HA ALA X 472 14.473 0.831 5.400 1.00 51.02 H new ATOM 0 HB1 ALA X 472 13.112 0.359 3.388 1.00 12.21 H new ATOM 0 HB2 ALA X 472 14.855 0.325 3.030 1.00 12.21 H new ATOM 0 HB3 ALA X 472 13.951 -1.199 3.196 1.00 12.21 H new ATOM 688 N ALA X 473 13.228 -2.143 5.957 1.00 33.12 N ATOM 689 CA ALA X 473 12.183 -2.864 6.675 1.00 5.31 C ATOM 690 C ALA X 473 12.279 -2.618 8.176 1.00 1.25 C ATOM 691 O ALA X 473 11.299 -2.236 8.817 1.00 50.13 O ATOM 692 CB ALA X 473 12.267 -4.352 6.374 1.00 61.31 C ATOM 0 H ALA X 473 13.966 -2.737 5.578 1.00 33.12 H new ATOM 0 HA ALA X 473 11.217 -2.490 6.334 1.00 5.31 H new ATOM 0 HB1 ALA X 473 11.481 -4.878 6.916 1.00 61.31 H new ATOM 0 HB2 ALA X 473 12.140 -4.514 5.304 1.00 61.31 H new ATOM 0 HB3 ALA X 473 13.240 -4.732 6.686 1.00 61.31 H new ATOM 698 N LYS X 474 13.464 -2.839 8.733 1.00 62.03 N ATOM 699 CA LYS X 474 13.689 -2.642 10.161 1.00 24.40 C ATOM 700 C LYS X 474 13.475 -1.183 10.548 1.00 54.40 C ATOM 701 O LYS X 474 13.044 -0.883 11.662 1.00 74.45 O ATOM 702 CB LYS X 474 15.106 -3.080 10.540 1.00 34.32 C ATOM 703 CG LYS X 474 16.118 -1.946 10.521 1.00 3.21 C ATOM 704 CD LYS X 474 17.543 -2.471 10.535 1.00 54.32 C ATOM 705 CE LYS X 474 18.551 -1.342 10.694 1.00 20.00 C ATOM 706 NZ LYS X 474 19.801 -1.805 11.357 1.00 3.13 N ATOM 0 H LYS X 474 14.285 -3.155 8.217 1.00 62.03 H new ATOM 0 HA LYS X 474 12.969 -3.253 10.705 1.00 24.40 H new ATOM 0 HB2 LYS X 474 15.087 -3.522 11.536 1.00 34.32 H new ATOM 0 HB3 LYS X 474 15.433 -3.859 9.852 1.00 34.32 H new ATOM 0 HG2 LYS X 474 15.963 -1.334 9.632 1.00 3.21 H new ATOM 0 HG3 LYS X 474 15.959 -1.300 11.385 1.00 3.21 H new ATOM 0 HD2 LYS X 474 17.661 -3.184 11.351 1.00 54.32 H new ATOM 0 HD3 LYS X 474 17.742 -3.011 9.609 1.00 54.32 H new ATOM 0 HE2 LYS X 474 18.791 -0.929 9.714 1.00 20.00 H new ATOM 0 HE3 LYS X 474 18.106 -0.537 11.279 1.00 20.00 H new ATOM 0 HZ1 LYS X 474 20.462 -1.007 11.447 1.00 3.13 H new ATOM 0 HZ2 LYS X 474 19.576 -2.176 12.302 1.00 3.13 H new ATOM 0 HZ3 LYS X 474 20.240 -2.555 10.786 1.00 3.13 H new ATOM 716 N LEU X 475 13.778 -0.279 9.623 1.00 10.44 N ATOM 717 CA LEU X 475 13.617 1.150 9.868 1.00 74.31 C ATOM 718 C LEU X 475 12.141 1.540 9.871 1.00 24.12 C ATOM 719 O LEU X 475 11.666 2.202 10.793 1.00 74.13 O ATOM 720 CB LEU X 475 14.366 1.957 8.805 1.00 52.05 C ATOM 721 CG LEU X 475 14.838 3.348 9.229 1.00 5.43 C ATOM 722 CD1 LEU X 475 15.907 3.862 8.278 1.00 24.51 C ATOM 723 CD2 LEU X 475 13.663 4.316 9.285 1.00 53.02 C ATOM 0 H LEU X 475 14.137 -0.510 8.696 1.00 10.44 H new ATOM 0 HA LEU X 475 14.035 1.374 10.849 1.00 74.31 H new ATOM 0 HB2 LEU X 475 15.235 1.382 8.486 1.00 52.05 H new ATOM 0 HB3 LEU X 475 13.718 2.064 7.935 1.00 52.05 H new ATOM 0 HG LEU X 475 15.272 3.275 10.226 1.00 5.43 H new ATOM 0 HD11 LEU X 475 16.231 4.853 8.596 1.00 24.51 H new ATOM 0 HD12 LEU X 475 16.759 3.182 8.286 1.00 24.51 H new ATOM 0 HD13 LEU X 475 15.499 3.920 7.269 1.00 24.51 H new ATOM 0 HD21 LEU X 475 14.017 5.301 9.588 1.00 53.02 H new ATOM 0 HD22 LEU X 475 13.201 4.384 8.300 1.00 53.02 H new ATOM 0 HD23 LEU X 475 12.929 3.956 10.006 1.00 53.02 H new ATOM 734 N LEU X 476 11.422 1.121 8.835 1.00 14.12 N ATOM 735 CA LEU X 476 10.000 1.423 8.720 1.00 2.33 C ATOM 736 C LEU X 476 9.202 0.715 9.810 1.00 41.31 C ATOM 737 O LEU X 476 8.309 1.301 10.420 1.00 65.41 O ATOM 738 CB LEU X 476 9.480 1.008 7.342 1.00 21.22 C ATOM 739 CG LEU X 476 9.886 1.907 6.174 1.00 11.11 C ATOM 740 CD1 LEU X 476 9.908 1.117 4.874 1.00 15.24 C ATOM 741 CD2 LEU X 476 8.942 3.095 6.061 1.00 71.10 C ATOM 0 H LEU X 476 11.800 0.572 8.063 1.00 14.12 H new ATOM 0 HA LEU X 476 9.872 2.499 8.842 1.00 2.33 H new ATOM 0 HB2 LEU X 476 9.828 -0.004 7.134 1.00 21.22 H new ATOM 0 HB3 LEU X 476 8.391 0.969 7.383 1.00 21.22 H new ATOM 0 HG LEU X 476 10.891 2.284 6.364 1.00 11.11 H new ATOM 0 HD11 LEU X 476 10.199 1.774 4.054 1.00 15.24 H new ATOM 0 HD12 LEU X 476 10.625 0.300 4.957 1.00 15.24 H new ATOM 0 HD13 LEU X 476 8.916 0.710 4.678 1.00 15.24 H new ATOM 0 HD21 LEU X 476 9.247 3.724 5.224 1.00 71.10 H new ATOM 0 HD22 LEU X 476 7.926 2.738 5.895 1.00 71.10 H new ATOM 0 HD23 LEU X 476 8.976 3.676 6.983 1.00 71.10 H new ATOM 752 N GLY X 477 9.533 -0.549 10.052 1.00 45.23 N ATOM 753 CA GLY X 477 8.839 -1.316 11.072 1.00 22.13 C ATOM 754 C GLY X 477 8.136 -2.532 10.503 1.00 61.31 C ATOM 755 O GLY X 477 7.213 -3.067 11.118 1.00 35.21 O ATOM 0 H GLY X 477 10.269 -1.056 9.561 1.00 45.23 H new ATOM 0 HA2 GLY X 477 9.553 -1.635 11.831 1.00 22.13 H new ATOM 0 HA3 GLY X 477 8.109 -0.677 11.569 1.00 22.13 H new ATOM 759 N TYR X 478 8.570 -2.970 9.326 1.00 41.35 N ATOM 760 CA TYR X 478 7.973 -4.128 8.674 1.00 51.13 C ATOM 761 C TYR X 478 9.006 -5.231 8.467 1.00 65.31 C ATOM 762 O TYR X 478 10.213 -4.986 8.518 1.00 40.51 O ATOM 763 CB TYR X 478 7.366 -3.724 7.329 1.00 71.43 C ATOM 764 CG TYR X 478 6.545 -2.457 7.390 1.00 72.21 C ATOM 765 CD1 TYR X 478 5.667 -2.225 8.442 1.00 41.20 C ATOM 766 CD2 TYR X 478 6.645 -1.491 6.397 1.00 30.21 C ATOM 767 CE1 TYR X 478 4.914 -1.068 8.503 1.00 15.11 C ATOM 768 CE2 TYR X 478 5.898 -0.331 6.450 1.00 51.13 C ATOM 769 CZ TYR X 478 5.033 -0.125 7.504 1.00 63.32 C ATOM 770 OH TYR X 478 4.285 1.029 7.561 1.00 43.33 O ATOM 0 H TYR X 478 9.334 -2.540 8.804 1.00 41.35 H new ATOM 0 HA TYR X 478 7.185 -4.511 9.322 1.00 51.13 H new ATOM 0 HB2 TYR X 478 8.168 -3.592 6.603 1.00 71.43 H new ATOM 0 HB3 TYR X 478 6.737 -4.537 6.965 1.00 71.43 H new ATOM 0 HD1 TYR X 478 5.572 -2.962 9.226 1.00 41.20 H new ATOM 0 HD2 TYR X 478 7.319 -1.650 5.568 1.00 30.21 H new ATOM 0 HE1 TYR X 478 4.237 -0.903 9.328 1.00 15.11 H new ATOM 0 HE2 TYR X 478 5.991 0.411 5.670 1.00 51.13 H new ATOM 0 HH TYR X 478 4.487 1.589 6.782 1.00 43.33 H new ATOM 779 N THR X 479 8.525 -6.448 8.233 1.00 31.11 N ATOM 780 CA THR X 479 9.406 -7.589 8.019 1.00 32.34 C ATOM 781 C THR X 479 9.778 -7.730 6.548 1.00 71.23 C ATOM 782 O THR X 479 9.146 -7.129 5.678 1.00 3.54 O ATOM 783 CB THR X 479 8.753 -8.900 8.500 1.00 31.32 C ATOM 784 OG1 THR X 479 9.629 -10.004 8.246 1.00 41.35 O ATOM 785 CG2 THR X 479 7.423 -9.129 7.799 1.00 33.32 C ATOM 0 H THR X 479 7.530 -6.669 8.187 1.00 31.11 H new ATOM 0 HA THR X 479 10.308 -7.405 8.602 1.00 32.34 H new ATOM 0 HB THR X 479 8.572 -8.820 9.572 1.00 31.32 H new ATOM 0 HG1 THR X 479 9.208 -10.833 8.556 1.00 41.35 H new ATOM 0 HG21 THR X 479 6.980 -10.060 8.154 1.00 33.32 H new ATOM 0 HG22 THR X 479 6.749 -8.300 8.017 1.00 33.32 H new ATOM 0 HG23 THR X 479 7.585 -9.191 6.723 1.00 33.32 H new ATOM 793 N LEU X 480 10.806 -8.525 6.275 1.00 51.22 N ATOM 794 CA LEU X 480 11.262 -8.745 4.907 1.00 73.24 C ATOM 795 C LEU X 480 10.096 -9.124 3.999 1.00 73.11 C ATOM 796 O LEU X 480 10.042 -8.715 2.840 1.00 12.40 O ATOM 797 CB LEU X 480 12.328 -9.842 4.874 1.00 54.35 C ATOM 798 CG LEU X 480 12.689 -10.385 3.491 1.00 42.31 C ATOM 799 CD1 LEU X 480 13.254 -9.278 2.615 1.00 10.34 C ATOM 800 CD2 LEU X 480 13.681 -11.532 3.611 1.00 24.30 C ATOM 0 H LEU X 480 11.340 -9.029 6.983 1.00 51.22 H new ATOM 0 HA LEU X 480 11.696 -7.815 4.540 1.00 73.24 H new ATOM 0 HB2 LEU X 480 13.235 -9.454 5.338 1.00 54.35 H new ATOM 0 HB3 LEU X 480 11.985 -10.673 5.490 1.00 54.35 H new ATOM 0 HG LEU X 480 11.781 -10.764 3.022 1.00 42.31 H new ATOM 0 HD11 LEU X 480 13.505 -9.682 1.635 1.00 10.34 H new ATOM 0 HD12 LEU X 480 12.511 -8.488 2.502 1.00 10.34 H new ATOM 0 HD13 LEU X 480 14.151 -8.869 3.079 1.00 10.34 H new ATOM 0 HD21 LEU X 480 13.927 -11.906 2.617 1.00 24.30 H new ATOM 0 HD22 LEU X 480 14.589 -11.178 4.100 1.00 24.30 H new ATOM 0 HD23 LEU X 480 13.240 -12.335 4.202 1.00 24.30 H new ATOM 811 N ARG X 481 9.166 -9.907 4.535 1.00 60.01 N ATOM 812 CA ARG X 481 8.001 -10.340 3.774 1.00 5.23 C ATOM 813 C ARG X 481 7.102 -9.155 3.434 1.00 63.40 C ATOM 814 O ARG X 481 6.727 -8.960 2.278 1.00 34.21 O ATOM 815 CB ARG X 481 7.209 -11.385 4.562 1.00 22.32 C ATOM 816 CG ARG X 481 6.435 -12.353 3.684 1.00 15.42 C ATOM 817 CD ARG X 481 7.363 -13.331 2.980 1.00 33.20 C ATOM 818 NE ARG X 481 6.635 -14.237 2.095 1.00 11.02 N ATOM 819 CZ ARG X 481 7.212 -14.942 1.129 1.00 23.35 C ATOM 820 NH1 ARG X 481 8.519 -14.846 0.924 1.00 64.23 N ATOM 821 NH2 ARG X 481 6.482 -15.745 0.366 1.00 54.34 N ATOM 0 H ARG X 481 9.197 -10.254 5.493 1.00 60.01 H new ATOM 0 HA ARG X 481 8.352 -10.786 2.844 1.00 5.23 H new ATOM 0 HB2 ARG X 481 7.896 -11.950 5.192 1.00 22.32 H new ATOM 0 HB3 ARG X 481 6.512 -10.875 5.227 1.00 22.32 H new ATOM 0 HG2 ARG X 481 5.718 -12.904 4.292 1.00 15.42 H new ATOM 0 HG3 ARG X 481 5.862 -11.795 2.943 1.00 15.42 H new ATOM 0 HD2 ARG X 481 8.103 -12.777 2.402 1.00 33.20 H new ATOM 0 HD3 ARG X 481 7.909 -13.912 3.723 1.00 33.20 H new ATOM 0 HE ARG X 481 5.628 -14.333 2.226 1.00 11.02 H new ATOM 0 HH11 ARG X 481 9.083 -14.230 1.509 1.00 64.23 H new ATOM 0 HH12 ARG X 481 8.960 -15.389 0.181 1.00 64.23 H new ATOM 0 HH21 ARG X 481 5.477 -15.821 0.521 1.00 54.34 H new ATOM 0 HH22 ARG X 481 6.926 -16.286 -0.376 1.00 54.34 H new ATOM 832 N GLN X 482 6.761 -8.367 4.448 1.00 43.45 N ATOM 833 CA GLN X 482 5.906 -7.202 4.256 1.00 74.43 C ATOM 834 C GLN X 482 6.551 -6.205 3.300 1.00 15.22 C ATOM 835 O GLN X 482 5.950 -5.811 2.298 1.00 24.12 O ATOM 836 CB GLN X 482 5.618 -6.527 5.599 1.00 61.30 C ATOM 837 CG GLN X 482 4.674 -7.318 6.487 1.00 11.44 C ATOM 838 CD GLN X 482 3.411 -7.747 5.764 1.00 11.30 C ATOM 839 OE1 GLN X 482 3.409 -8.733 5.028 1.00 73.12 O ATOM 840 NE2 GLN X 482 2.331 -7.003 5.970 1.00 62.51 N ATOM 0 H GLN X 482 7.064 -8.514 5.411 1.00 43.45 H new ATOM 0 HA GLN X 482 4.967 -7.540 3.819 1.00 74.43 H new ATOM 0 HB2 GLN X 482 6.559 -6.374 6.128 1.00 61.30 H new ATOM 0 HB3 GLN X 482 5.191 -5.541 5.416 1.00 61.30 H new ATOM 0 HG2 GLN X 482 5.190 -8.201 6.863 1.00 11.44 H new ATOM 0 HG3 GLN X 482 4.404 -6.713 7.353 1.00 11.44 H new ATOM 0 HE21 GLN X 482 2.380 -6.194 6.589 1.00 62.51 H new ATOM 0 HE22 GLN X 482 1.453 -7.241 5.509 1.00 62.51 H new ATOM 847 N LEU X 483 7.776 -5.799 3.613 1.00 30.43 N ATOM 848 CA LEU X 483 8.504 -4.847 2.782 1.00 23.25 C ATOM 849 C LEU X 483 8.563 -5.322 1.334 1.00 43.34 C ATOM 850 O LEU X 483 8.209 -4.584 0.413 1.00 12.42 O ATOM 851 CB LEU X 483 9.920 -4.645 3.323 1.00 32.11 C ATOM 852 CG LEU X 483 10.675 -3.426 2.791 1.00 53.13 C ATOM 853 CD1 LEU X 483 10.543 -2.255 3.751 1.00 33.51 C ATOM 854 CD2 LEU X 483 12.140 -3.765 2.559 1.00 65.25 C ATOM 0 H LEU X 483 8.287 -6.115 4.438 1.00 30.43 H new ATOM 0 HA LEU X 483 7.972 -3.896 2.812 1.00 23.25 H new ATOM 0 HB2 LEU X 483 9.865 -4.568 4.409 1.00 32.11 H new ATOM 0 HB3 LEU X 483 10.505 -5.537 3.096 1.00 32.11 H new ATOM 0 HG LEU X 483 10.234 -3.138 1.837 1.00 53.13 H new ATOM 0 HD11 LEU X 483 11.087 -1.397 3.355 1.00 33.51 H new ATOM 0 HD12 LEU X 483 9.491 -1.996 3.866 1.00 33.51 H new ATOM 0 HD13 LEU X 483 10.957 -2.531 4.721 1.00 33.51 H new ATOM 0 HD21 LEU X 483 12.661 -2.886 2.181 1.00 65.25 H new ATOM 0 HD22 LEU X 483 12.594 -4.080 3.499 1.00 65.25 H new ATOM 0 HD23 LEU X 483 12.216 -4.573 1.831 1.00 65.25 H new ATOM 865 N ASP X 484 9.009 -6.558 1.140 1.00 4.40 N ATOM 866 CA ASP X 484 9.111 -7.134 -0.196 1.00 74.33 C ATOM 867 C ASP X 484 7.780 -7.030 -0.935 1.00 23.13 C ATOM 868 O ASP X 484 7.732 -6.608 -2.090 1.00 2.41 O ATOM 869 CB ASP X 484 9.549 -8.596 -0.111 1.00 53.22 C ATOM 870 CG ASP X 484 9.808 -9.202 -1.477 1.00 43.05 C ATOM 871 OD1 ASP X 484 8.830 -9.606 -2.142 1.00 12.45 O ATOM 872 OD2 ASP X 484 10.987 -9.273 -1.881 1.00 13.14 O ATOM 0 H ASP X 484 9.306 -7.181 1.891 1.00 4.40 H new ATOM 0 HA ASP X 484 9.860 -6.571 -0.753 1.00 74.33 H new ATOM 0 HB2 ASP X 484 10.454 -8.667 0.492 1.00 53.22 H new ATOM 0 HB3 ASP X 484 8.779 -9.174 0.400 1.00 53.22 H new ATOM 876 N TYR X 485 6.704 -7.419 -0.262 1.00 62.24 N ATOM 877 CA TYR X 485 5.373 -7.373 -0.856 1.00 54.52 C ATOM 878 C TYR X 485 5.029 -5.958 -1.315 1.00 35.33 C ATOM 879 O TYR X 485 4.368 -5.769 -2.334 1.00 43.32 O ATOM 880 CB TYR X 485 4.327 -7.865 0.146 1.00 42.42 C ATOM 881 CG TYR X 485 3.140 -8.541 -0.501 1.00 62.23 C ATOM 882 CD1 TYR X 485 3.286 -9.747 -1.175 1.00 11.33 C ATOM 883 CD2 TYR X 485 1.873 -7.975 -0.439 1.00 34.51 C ATOM 884 CE1 TYR X 485 2.204 -10.369 -1.769 1.00 52.30 C ATOM 885 CE2 TYR X 485 0.786 -8.590 -1.027 1.00 35.54 C ATOM 886 CZ TYR X 485 0.956 -9.788 -1.692 1.00 72.11 C ATOM 887 OH TYR X 485 -0.124 -10.403 -2.281 1.00 32.54 O ATOM 0 H TYR X 485 6.727 -7.770 0.695 1.00 62.24 H new ATOM 0 HA TYR X 485 5.369 -8.029 -1.727 1.00 54.52 H new ATOM 0 HB2 TYR X 485 4.799 -8.562 0.838 1.00 42.42 H new ATOM 0 HB3 TYR X 485 3.975 -7.019 0.736 1.00 42.42 H new ATOM 0 HD1 TYR X 485 4.262 -10.206 -1.236 1.00 11.33 H new ATOM 0 HD2 TYR X 485 1.736 -7.037 0.078 1.00 34.51 H new ATOM 0 HE1 TYR X 485 2.335 -11.305 -2.291 1.00 52.30 H new ATOM 0 HE2 TYR X 485 -0.192 -8.136 -0.967 1.00 35.54 H new ATOM 0 HH TYR X 485 -0.929 -9.863 -2.133 1.00 32.54 H new ATOM 896 N ARG X 486 5.484 -4.970 -0.552 1.00 30.20 N ATOM 897 CA ARG X 486 5.225 -3.573 -0.878 1.00 23.23 C ATOM 898 C ARG X 486 6.044 -3.137 -2.090 1.00 23.24 C ATOM 899 O ARG X 486 5.563 -2.383 -2.937 1.00 73.10 O ATOM 900 CB ARG X 486 5.552 -2.678 0.319 1.00 32.34 C ATOM 901 CG ARG X 486 4.342 -2.344 1.178 1.00 43.42 C ATOM 902 CD ARG X 486 4.057 -3.444 2.188 1.00 11.40 C ATOM 903 NE ARG X 486 2.678 -3.403 2.666 1.00 15.11 N ATOM 904 CZ ARG X 486 2.066 -4.435 3.236 1.00 21.53 C ATOM 905 NH1 ARG X 486 2.709 -5.584 3.398 1.00 34.32 N ATOM 906 NH2 ARG X 486 0.810 -4.321 3.646 1.00 1.14 N ATOM 0 H ARG X 486 6.033 -5.111 0.296 1.00 30.20 H new ATOM 0 HA ARG X 486 4.167 -3.473 -1.120 1.00 23.23 H new ATOM 0 HB2 ARG X 486 6.301 -3.172 0.938 1.00 32.34 H new ATOM 0 HB3 ARG X 486 5.998 -1.751 -0.042 1.00 32.34 H new ATOM 0 HG2 ARG X 486 4.514 -1.403 1.701 1.00 43.42 H new ATOM 0 HG3 ARG X 486 3.470 -2.199 0.540 1.00 43.42 H new ATOM 0 HD2 ARG X 486 4.254 -4.414 1.733 1.00 11.40 H new ATOM 0 HD3 ARG X 486 4.737 -3.345 3.034 1.00 11.40 H new ATOM 0 HE ARG X 486 2.156 -2.534 2.556 1.00 15.11 H new ATOM 0 HH11 ARG X 486 3.675 -5.676 3.085 1.00 34.32 H new ATOM 0 HH12 ARG X 486 2.237 -6.375 3.836 1.00 34.32 H new ATOM 0 HH21 ARG X 486 0.312 -3.439 3.524 1.00 1.14 H new ATOM 0 HH22 ARG X 486 0.342 -5.115 4.083 1.00 1.14 H new ATOM 917 N ILE X 487 7.281 -3.616 -2.165 1.00 12.05 N ATOM 918 CA ILE X 487 8.164 -3.276 -3.274 1.00 10.12 C ATOM 919 C ILE X 487 7.613 -3.798 -4.597 1.00 62.30 C ATOM 920 O ILE X 487 7.666 -3.111 -5.618 1.00 15.43 O ATOM 921 CB ILE X 487 9.579 -3.845 -3.061 1.00 50.20 C ATOM 922 CG1 ILE X 487 10.213 -3.240 -1.806 1.00 20.13 C ATOM 923 CG2 ILE X 487 10.448 -3.577 -4.281 1.00 21.32 C ATOM 924 CD1 ILE X 487 10.257 -1.729 -1.821 1.00 35.13 C ATOM 0 H ILE X 487 7.694 -4.240 -1.472 1.00 12.05 H new ATOM 0 HA ILE X 487 8.219 -2.188 -3.310 1.00 10.12 H new ATOM 0 HB ILE X 487 9.503 -4.924 -2.923 1.00 50.20 H new ATOM 0 HG12 ILE X 487 9.654 -3.571 -0.931 1.00 20.13 H new ATOM 0 HG13 ILE X 487 11.228 -3.624 -1.700 1.00 20.13 H new ATOM 0 HG21 ILE X 487 11.445 -3.985 -4.114 1.00 21.32 H new ATOM 0 HG22 ILE X 487 10.003 -4.051 -5.156 1.00 21.32 H new ATOM 0 HG23 ILE X 487 10.519 -2.502 -4.448 1.00 21.32 H new ATOM 0 HD11 ILE X 487 10.719 -1.369 -0.901 1.00 35.13 H new ATOM 0 HD12 ILE X 487 10.841 -1.390 -2.677 1.00 35.13 H new ATOM 0 HD13 ILE X 487 9.243 -1.336 -1.896 1.00 35.13 H new ATOM 935 N LYS X 488 7.082 -5.015 -4.572 1.00 1.41 N ATOM 936 CA LYS X 488 6.517 -5.629 -5.767 1.00 43.53 C ATOM 937 C LYS X 488 5.176 -4.995 -6.122 1.00 53.44 C ATOM 938 O LYS X 488 4.875 -4.771 -7.295 1.00 72.22 O ATOM 939 CB LYS X 488 6.341 -7.135 -5.558 1.00 2.51 C ATOM 940 CG LYS X 488 5.468 -7.485 -4.366 1.00 3.34 C ATOM 941 CD LYS X 488 5.377 -8.988 -4.163 1.00 3.43 C ATOM 942 CE LYS X 488 4.806 -9.683 -5.389 1.00 41.43 C ATOM 943 NZ LYS X 488 3.531 -9.056 -5.837 1.00 22.33 N ATOM 0 H LYS X 488 7.031 -5.597 -3.736 1.00 1.41 H new ATOM 0 HA LYS X 488 7.209 -5.461 -6.592 1.00 43.53 H new ATOM 0 HB2 LYS X 488 5.905 -7.570 -6.457 1.00 2.51 H new ATOM 0 HB3 LYS X 488 7.322 -7.592 -5.426 1.00 2.51 H new ATOM 0 HG2 LYS X 488 5.874 -7.020 -3.468 1.00 3.34 H new ATOM 0 HG3 LYS X 488 4.469 -7.076 -4.513 1.00 3.34 H new ATOM 0 HD2 LYS X 488 6.368 -9.387 -3.946 1.00 3.43 H new ATOM 0 HD3 LYS X 488 4.750 -9.202 -3.297 1.00 3.43 H new ATOM 0 HE2 LYS X 488 5.534 -9.646 -6.200 1.00 41.43 H new ATOM 0 HE3 LYS X 488 4.634 -10.735 -5.163 1.00 41.43 H new ATOM 0 HZ1 LYS X 488 2.937 -9.772 -6.302 1.00 22.33 H new ATOM 0 HZ2 LYS X 488 3.027 -8.668 -5.014 1.00 22.33 H new ATOM 0 HZ3 LYS X 488 3.738 -8.289 -6.509 1.00 22.33 H new ATOM 953 N LYS X 489 4.375 -4.706 -5.103 1.00 24.34 N ATOM 954 CA LYS X 489 3.067 -4.095 -5.306 1.00 21.32 C ATOM 955 C LYS X 489 3.208 -2.664 -5.817 1.00 63.33 C ATOM 956 O LYS X 489 2.517 -2.257 -6.750 1.00 53.33 O ATOM 957 CB LYS X 489 2.266 -4.106 -4.002 1.00 54.52 C ATOM 958 CG LYS X 489 1.233 -5.216 -3.932 1.00 54.51 C ATOM 959 CD LYS X 489 1.879 -6.588 -4.034 1.00 14.12 C ATOM 960 CE LYS X 489 0.837 -7.686 -4.171 1.00 62.31 C ATOM 961 NZ LYS X 489 0.205 -7.686 -5.520 1.00 3.10 N ATOM 0 H LYS X 489 4.609 -4.885 -4.127 1.00 24.34 H new ATOM 0 HA LYS X 489 2.534 -4.679 -6.056 1.00 21.32 H new ATOM 0 HB2 LYS X 489 2.955 -4.209 -3.163 1.00 54.52 H new ATOM 0 HB3 LYS X 489 1.763 -3.146 -3.886 1.00 54.52 H new ATOM 0 HG2 LYS X 489 0.681 -5.142 -2.995 1.00 54.51 H new ATOM 0 HG3 LYS X 489 0.510 -5.093 -4.738 1.00 54.51 H new ATOM 0 HD2 LYS X 489 2.550 -6.612 -4.893 1.00 14.12 H new ATOM 0 HD3 LYS X 489 2.488 -6.771 -3.149 1.00 14.12 H new ATOM 0 HE2 LYS X 489 1.303 -8.654 -3.989 1.00 62.31 H new ATOM 0 HE3 LYS X 489 0.068 -7.554 -3.410 1.00 62.31 H new ATOM 0 HZ1 LYS X 489 -0.385 -8.536 -5.627 1.00 3.10 H new ATOM 0 HZ2 LYS X 489 -0.388 -6.838 -5.626 1.00 3.10 H new ATOM 0 HZ3 LYS X 489 0.945 -7.684 -6.250 1.00 3.10 H new ATOM 971 N TYR X 490 4.109 -1.908 -5.199 1.00 63.10 N ATOM 972 CA TYR X 490 4.340 -0.522 -5.591 1.00 65.13 C ATOM 973 C TYR X 490 5.394 -0.435 -6.689 1.00 43.30 C ATOM 974 O TYR X 490 5.704 0.647 -7.185 1.00 45.35 O ATOM 975 CB TYR X 490 4.778 0.305 -4.380 1.00 31.24 C ATOM 976 CG TYR X 490 3.722 0.412 -3.305 1.00 70.45 C ATOM 977 CD1 TYR X 490 2.483 0.981 -3.574 1.00 32.02 C ATOM 978 CD2 TYR X 490 3.961 -0.057 -2.018 1.00 30.25 C ATOM 979 CE1 TYR X 490 1.515 1.082 -2.594 1.00 71.23 C ATOM 980 CE2 TYR X 490 2.998 0.038 -1.033 1.00 30.22 C ATOM 981 CZ TYR X 490 1.777 0.609 -1.325 1.00 51.31 C ATOM 982 OH TYR X 490 0.815 0.706 -0.346 1.00 54.23 O ATOM 0 H TYR X 490 4.691 -2.231 -4.426 1.00 63.10 H new ATOM 0 HA TYR X 490 3.404 -0.119 -5.979 1.00 65.13 H new ATOM 0 HB2 TYR X 490 5.676 -0.141 -3.952 1.00 31.24 H new ATOM 0 HB3 TYR X 490 5.048 1.307 -4.714 1.00 31.24 H new ATOM 0 HD1 TYR X 490 2.273 1.351 -4.567 1.00 32.02 H new ATOM 0 HD2 TYR X 490 4.916 -0.503 -1.785 1.00 30.25 H new ATOM 0 HE1 TYR X 490 0.558 1.529 -2.820 1.00 71.23 H new ATOM 0 HE2 TYR X 490 3.200 -0.333 -0.039 1.00 30.22 H new ATOM 0 HH TYR X 490 0.472 -0.187 -0.134 1.00 54.23 H new ATOM 991 N GLY X 491 5.942 -1.586 -7.067 1.00 12.33 N ATOM 992 CA GLY X 491 6.955 -1.620 -8.106 1.00 73.13 C ATOM 993 C GLY X 491 8.083 -0.640 -7.847 1.00 70.25 C ATOM 994 O GLY X 491 8.533 0.052 -8.760 1.00 25.21 O ATOM 0 H GLY X 491 5.703 -2.496 -6.672 1.00 12.33 H new ATOM 0 HA2 GLY X 491 7.363 -2.628 -8.179 1.00 73.13 H new ATOM 0 HA3 GLY X 491 6.494 -1.393 -9.067 1.00 73.13 H new ATOM 998 N ILE X 492 8.538 -0.579 -6.601 1.00 33.34 N ATOM 999 CA ILE X 492 9.618 0.324 -6.226 1.00 12.35 C ATOM 1000 C ILE X 492 10.968 -0.208 -6.697 1.00 73.33 C ATOM 1001 O ILE X 492 11.148 -1.414 -6.859 1.00 45.43 O ATOM 1002 CB ILE X 492 9.668 0.540 -4.702 1.00 22.54 C ATOM 1003 CG1 ILE X 492 8.262 0.793 -4.154 1.00 0.13 C ATOM 1004 CG2 ILE X 492 10.593 1.700 -4.361 1.00 33.43 C ATOM 1005 CD1 ILE X 492 8.221 0.966 -2.652 1.00 21.21 C ATOM 0 H ILE X 492 8.175 -1.145 -5.834 1.00 33.34 H new ATOM 0 HA ILE X 492 9.415 1.278 -6.714 1.00 12.35 H new ATOM 0 HB ILE X 492 10.062 -0.362 -4.235 1.00 22.54 H new ATOM 0 HG12 ILE X 492 7.852 1.686 -4.626 1.00 0.13 H new ATOM 0 HG13 ILE X 492 7.617 -0.040 -4.433 1.00 0.13 H new ATOM 0 HG21 ILE X 492 10.618 1.840 -3.280 1.00 33.43 H new ATOM 0 HG22 ILE X 492 11.598 1.482 -4.722 1.00 33.43 H new ATOM 0 HG23 ILE X 492 10.226 2.610 -4.836 1.00 33.43 H new ATOM 0 HD11 ILE X 492 7.193 1.142 -2.334 1.00 21.21 H new ATOM 0 HD12 ILE X 492 8.600 0.064 -2.171 1.00 21.21 H new ATOM 0 HD13 ILE X 492 8.840 1.817 -2.367 1.00 21.21 H new ATOM 1016 N GLU X 493 11.913 0.702 -6.913 1.00 41.10 N ATOM 1017 CA GLU X 493 13.247 0.323 -7.364 1.00 52.04 C ATOM 1018 C GLU X 493 14.249 0.381 -6.214 1.00 43.33 C ATOM 1019 O GLU X 493 13.972 0.964 -5.165 1.00 63.45 O ATOM 1020 CB GLU X 493 13.705 1.239 -8.501 1.00 63.11 C ATOM 1021 CG GLU X 493 14.099 2.632 -8.039 1.00 11.52 C ATOM 1022 CD GLU X 493 14.419 3.561 -9.193 1.00 74.15 C ATOM 1023 OE1 GLU X 493 14.265 3.137 -10.357 1.00 62.13 O ATOM 1024 OE2 GLU X 493 14.823 4.714 -8.931 1.00 70.23 O ATOM 0 H GLU X 493 11.780 1.705 -6.783 1.00 41.10 H new ATOM 0 HA GLU X 493 13.200 -0.703 -7.730 1.00 52.04 H new ATOM 0 HB2 GLU X 493 14.554 0.779 -9.007 1.00 63.11 H new ATOM 0 HB3 GLU X 493 12.903 1.322 -9.235 1.00 63.11 H new ATOM 0 HG2 GLU X 493 13.287 3.058 -7.449 1.00 11.52 H new ATOM 0 HG3 GLU X 493 14.967 2.561 -7.383 1.00 11.52 H new ATOM 1029 N LEU X 494 15.412 -0.225 -6.420 1.00 43.24 N ATOM 1030 CA LEU X 494 16.456 -0.243 -5.399 1.00 63.34 C ATOM 1031 C LEU X 494 17.739 -0.861 -5.945 1.00 40.01 C ATOM 1032 O LEU X 494 17.713 -1.917 -6.578 1.00 44.25 O ATOM 1033 CB LEU X 494 15.983 -1.022 -4.171 1.00 33.12 C ATOM 1034 CG LEU X 494 16.051 -2.546 -4.276 1.00 10.03 C ATOM 1035 CD1 LEU X 494 15.763 -3.187 -2.927 1.00 24.23 C ATOM 1036 CD2 LEU X 494 15.077 -3.053 -5.328 1.00 15.11 C ATOM 0 H LEU X 494 15.657 -0.710 -7.283 1.00 43.24 H new ATOM 0 HA LEU X 494 16.665 0.787 -5.109 1.00 63.34 H new ATOM 0 HB2 LEU X 494 16.581 -0.710 -3.315 1.00 33.12 H new ATOM 0 HB3 LEU X 494 14.952 -0.738 -3.960 1.00 33.12 H new ATOM 0 HG LEU X 494 17.060 -2.825 -4.580 1.00 10.03 H new ATOM 0 HD11 LEU X 494 15.816 -4.272 -3.021 1.00 24.23 H new ATOM 0 HD12 LEU X 494 16.501 -2.850 -2.199 1.00 24.23 H new ATOM 0 HD13 LEU X 494 14.766 -2.900 -2.593 1.00 24.23 H new ATOM 0 HD21 LEU X 494 15.140 -4.140 -5.388 1.00 15.11 H new ATOM 0 HD22 LEU X 494 14.063 -2.763 -5.055 1.00 15.11 H new ATOM 0 HD23 LEU X 494 15.330 -2.621 -6.296 1.00 15.11 H new ATOM 1047 N LYS X 495 18.862 -0.197 -5.694 1.00 43.22 N ATOM 1048 CA LYS X 495 20.158 -0.681 -6.156 1.00 54.55 C ATOM 1049 C LYS X 495 20.698 -1.762 -5.225 1.00 21.15 C ATOM 1050 O LYS X 495 21.280 -1.464 -4.183 1.00 32.02 O ATOM 1051 CB LYS X 495 21.155 0.475 -6.246 1.00 21.55 C ATOM 1052 CG LYS X 495 22.594 0.025 -6.439 1.00 34.12 C ATOM 1053 CD LYS X 495 23.268 0.782 -7.570 1.00 41.32 C ATOM 1054 CE LYS X 495 23.772 2.141 -7.108 1.00 2.20 C ATOM 1055 NZ LYS X 495 24.977 2.020 -6.240 1.00 52.14 N ATOM 0 H LYS X 495 18.901 0.679 -5.173 1.00 43.22 H new ATOM 0 HA LYS X 495 20.024 -1.114 -7.147 1.00 54.55 H new ATOM 0 HB2 LYS X 495 20.872 1.124 -7.075 1.00 21.55 H new ATOM 0 HB3 LYS X 495 21.089 1.072 -5.337 1.00 21.55 H new ATOM 0 HG2 LYS X 495 23.151 0.178 -5.515 1.00 34.12 H new ATOM 0 HG3 LYS X 495 22.617 -1.044 -6.651 1.00 34.12 H new ATOM 0 HD2 LYS X 495 24.102 0.195 -7.956 1.00 41.32 H new ATOM 0 HD3 LYS X 495 22.564 0.914 -8.392 1.00 41.32 H new ATOM 0 HE2 LYS X 495 24.010 2.755 -7.977 1.00 2.20 H new ATOM 0 HE3 LYS X 495 22.981 2.655 -6.562 1.00 2.20 H new ATOM 0 HZ1 LYS X 495 25.428 2.952 -6.140 1.00 52.14 H new ATOM 0 HZ2 LYS X 495 24.696 1.669 -5.302 1.00 52.14 H new ATOM 0 HZ3 LYS X 495 25.650 1.354 -6.671 1.00 52.14 H new ATOM 1065 N LYS X 496 20.502 -3.019 -5.609 1.00 11.13 N ATOM 1066 CA LYS X 496 20.972 -4.145 -4.811 1.00 1.23 C ATOM 1067 C LYS X 496 20.955 -5.435 -5.626 1.00 15.31 C ATOM 1068 O LYS X 496 20.470 -5.459 -6.758 1.00 74.41 O ATOM 1069 CB LYS X 496 20.103 -4.308 -3.561 1.00 74.42 C ATOM 1070 CG LYS X 496 20.800 -3.888 -2.279 1.00 55.24 C ATOM 1071 CD LYS X 496 22.044 -4.719 -2.020 1.00 53.12 C ATOM 1072 CE LYS X 496 22.567 -4.516 -0.606 1.00 61.32 C ATOM 1073 NZ LYS X 496 24.005 -4.886 -0.488 1.00 24.42 N ATOM 0 H LYS X 496 20.021 -3.283 -6.468 1.00 11.13 H new ATOM 0 HA LYS X 496 21.999 -3.940 -4.509 1.00 1.23 H new ATOM 0 HB2 LYS X 496 19.194 -3.718 -3.681 1.00 74.42 H new ATOM 0 HB3 LYS X 496 19.797 -5.351 -3.474 1.00 74.42 H new ATOM 0 HG2 LYS X 496 21.072 -2.834 -2.341 1.00 55.24 H new ATOM 0 HG3 LYS X 496 20.112 -3.991 -1.440 1.00 55.24 H new ATOM 0 HD2 LYS X 496 21.817 -5.774 -2.177 1.00 53.12 H new ATOM 0 HD3 LYS X 496 22.819 -4.449 -2.738 1.00 53.12 H new ATOM 0 HE2 LYS X 496 22.435 -3.474 -0.316 1.00 61.32 H new ATOM 0 HE3 LYS X 496 21.979 -5.117 0.088 1.00 61.32 H new ATOM 0 HZ1 LYS X 496 24.324 -4.734 0.490 1.00 24.42 H new ATOM 0 HZ2 LYS X 496 24.128 -5.888 -0.740 1.00 24.42 H new ATOM 0 HZ3 LYS X 496 24.569 -4.296 -1.132 1.00 24.42 H new ATOM 1083 N PHE X 497 21.487 -6.505 -5.045 1.00 40.43 N ATOM 1084 CA PHE X 497 21.533 -7.798 -5.716 1.00 75.40 C ATOM 1085 C PHE X 497 21.281 -8.934 -4.729 1.00 35.52 C ATOM 1086 O PHE X 497 21.674 -8.856 -3.566 1.00 20.55 O ATOM 1087 CB PHE X 497 22.887 -7.993 -6.401 1.00 73.03 C ATOM 1088 CG PHE X 497 24.013 -8.248 -5.439 1.00 45.00 C ATOM 1089 CD1 PHE X 497 24.306 -9.536 -5.023 1.00 50.40 C ATOM 1090 CD2 PHE X 497 24.778 -7.200 -4.953 1.00 13.40 C ATOM 1091 CE1 PHE X 497 25.342 -9.775 -4.139 1.00 41.24 C ATOM 1092 CE2 PHE X 497 25.814 -7.433 -4.069 1.00 11.54 C ATOM 1093 CZ PHE X 497 26.096 -8.721 -3.661 1.00 51.22 C ATOM 0 H PHE X 497 21.893 -6.502 -4.109 1.00 40.43 H new ATOM 0 HA PHE X 497 20.746 -7.815 -6.470 1.00 75.40 H new ATOM 0 HB2 PHE X 497 22.817 -8.830 -7.096 1.00 73.03 H new ATOM 0 HB3 PHE X 497 23.118 -7.106 -6.992 1.00 73.03 H new ATOM 0 HD1 PHE X 497 23.719 -10.363 -5.393 1.00 50.40 H new ATOM 0 HD2 PHE X 497 24.562 -6.190 -5.269 1.00 13.40 H new ATOM 0 HE1 PHE X 497 25.561 -10.784 -3.823 1.00 41.24 H new ATOM 0 HE2 PHE X 497 26.403 -6.608 -3.697 1.00 11.54 H new ATOM 0 HZ PHE X 497 26.905 -8.904 -2.969 1.00 51.22 H new TER 1102 PHE X 497