USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 476 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Set 1.2: A 497 SER OG : rot 177:sc= 0 USER MOD Set 2.1: A 496 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 505 TYR OH : rot -4:sc= 0.275 USER MOD Set 3.1: A 440 HIS : no HD1:sc= -12.2! C(o=-12!,f=-17!) USER MOD Set 3.2: A 449 THR OG1 : rot -118:sc= -0.0201! USER MOD Single : A 424 ASN : amide:sc= -3! C(o=-3!,f=-3.3!) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 429 TYR OH : rot 180:sc= -0.2 USER MOD Single : A 430 TYR OH : rot 72:sc= -1.02! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ 169:sc= 1.05 (180deg=0.869) USER MOD Single : A 435 ASN : amide:sc= -5.47! C(o=-5.5!,f=-18!) USER MOD Single : A 436 SER OG : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 175:sc= -7.11! (180deg=-7.54!) USER MOD Single : A 457 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 462 SER OG : rot 78:sc= 1.04 USER MOD Single : A 464 TYR OH : rot 180:sc= 0 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 75:sc= 0.969 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4.2!) USER MOD Single : A 495 ASN :FLIP amide:sc= -0.758 F(o=-2.5,f=-0.76) USER MOD Single : A 499 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 503 SER OG : rot 180:sc= -0.45 USER MOD Single : A 504 THR OG1 : rot 20:sc= -1.93 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 THR OG1 : rot 47:sc= 0.701 USER MOD Single : A 517 THR OG1 : rot -177:sc= -1.72! USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.944 -2.707 12.494 1.00 0.00 N ATOM 37 CA ASN A 424 -9.722 -1.922 12.449 1.00 0.00 C ATOM 38 C ASN A 424 -9.545 -1.343 11.044 1.00 0.00 C ATOM 39 O ASN A 424 -10.166 -1.813 10.092 1.00 0.00 O ATOM 40 CB ASN A 424 -8.500 -2.787 12.761 1.00 0.00 C ATOM 41 CG ASN A 424 -8.084 -2.640 14.227 1.00 0.00 C ATOM 42 OD1 ASN A 424 -7.415 -1.698 14.617 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.517 -3.622 15.012 1.00 0.00 N ATOM 0 HA ASN A 424 -9.802 -1.130 13.193 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.725 -3.832 12.546 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.672 -2.500 12.114 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -8.293 -3.616 16.007 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -9.074 -4.381 14.619 1.00 0.00 H new ATOM 50 N LYS A 425 -8.695 -0.330 10.959 1.00 0.00 N ATOM 51 CA LYS A 425 -8.428 0.318 9.686 1.00 0.00 C ATOM 52 C LYS A 425 -6.916 0.400 9.467 1.00 0.00 C ATOM 53 O LYS A 425 -6.154 0.538 10.422 1.00 0.00 O ATOM 54 CB LYS A 425 -9.134 1.674 9.617 1.00 0.00 C ATOM 55 CG LYS A 425 -9.046 2.267 8.209 1.00 0.00 C ATOM 56 CD LYS A 425 -10.424 2.309 7.545 1.00 0.00 C ATOM 57 CE LYS A 425 -11.127 3.638 7.824 1.00 0.00 C ATOM 58 NZ LYS A 425 -12.577 3.525 7.550 1.00 0.00 N ATOM 0 H LYS A 425 -8.182 0.058 11.751 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.837 -0.271 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -10.180 1.559 9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.682 2.360 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -8.632 3.274 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -8.364 1.672 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -10.318 2.169 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -11.035 1.486 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -10.969 3.929 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -10.694 4.423 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -13.039 4.436 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -12.723 3.269 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -12.989 2.791 8.160 1.00 0.00 H new ATOM 71 N VAL A 426 -6.528 0.313 8.203 1.00 0.00 N ATOM 72 CA VAL A 426 -5.121 0.375 7.847 1.00 0.00 C ATOM 73 C VAL A 426 -4.932 1.374 6.704 1.00 0.00 C ATOM 74 O VAL A 426 -5.538 1.231 5.643 1.00 0.00 O ATOM 75 CB VAL A 426 -4.604 -1.025 7.508 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.091 -1.011 7.283 1.00 0.00 C ATOM 77 CG2 VAL A 426 -4.988 -2.029 8.597 1.00 0.00 C ATOM 0 H VAL A 426 -7.163 0.200 7.413 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.529 0.730 8.691 1.00 0.00 H new ATOM 0 HB VAL A 426 -5.077 -1.342 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.749 -2.018 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.852 -0.341 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.592 -0.664 8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.609 -3.016 8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.556 -1.717 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -6.073 -2.070 8.688 1.00 0.00 H new ATOM 87 N THR A 427 -4.090 2.365 6.959 1.00 0.00 N ATOM 88 CA THR A 427 -3.815 3.388 5.964 1.00 0.00 C ATOM 89 C THR A 427 -2.398 3.225 5.410 1.00 0.00 C ATOM 90 O THR A 427 -1.452 3.012 6.167 1.00 0.00 O ATOM 91 CB THR A 427 -4.062 4.753 6.610 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.469 4.783 6.829 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.810 5.912 5.643 1.00 0.00 C ATOM 0 H THR A 427 -3.589 2.481 7.840 1.00 0.00 H new ATOM 0 HA THR A 427 -4.479 3.294 5.105 1.00 0.00 H new ATOM 0 HB THR A 427 -3.420 4.863 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.717 5.634 7.247 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.000 6.858 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.775 5.884 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.476 5.821 4.785 1.00 0.00 H new ATOM 101 N ILE A 428 -2.296 3.333 4.094 1.00 0.00 N ATOM 102 CA ILE A 428 -1.010 3.200 3.429 1.00 0.00 C ATOM 103 C ILE A 428 -0.829 4.356 2.444 1.00 0.00 C ATOM 104 O ILE A 428 -1.657 4.556 1.557 1.00 0.00 O ATOM 105 CB ILE A 428 -0.880 1.818 2.787 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.427 0.777 3.812 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.046 1.864 1.569 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.381 -0.419 3.838 1.00 0.00 C ATOM 0 H ILE A 428 -3.083 3.511 3.470 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.197 3.267 4.152 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.864 1.513 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.580 0.438 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.381 1.232 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.121 0.869 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.359 2.556 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.036 2.201 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.036 -1.144 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.382 -0.080 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.406 -0.886 2.854 1.00 0.00 H new ATOM 120 N TYR A 429 0.260 5.087 2.633 1.00 0.00 N ATOM 121 CA TYR A 429 0.561 6.218 1.772 1.00 0.00 C ATOM 122 C TYR A 429 1.820 5.957 0.943 1.00 0.00 C ATOM 123 O TYR A 429 2.922 5.894 1.486 1.00 0.00 O ATOM 124 CB TYR A 429 0.816 7.403 2.706 1.00 0.00 C ATOM 125 CG TYR A 429 -0.426 7.875 3.465 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.659 7.326 3.180 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.312 8.851 4.435 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.828 7.770 3.895 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.481 9.295 5.149 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.681 8.733 4.844 1.00 0.00 C ATOM 131 OH TYR A 429 -3.784 9.152 5.519 1.00 0.00 O ATOM 0 H TYR A 429 0.945 4.918 3.370 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.260 6.401 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.586 7.126 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.210 8.235 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.748 6.563 2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.653 9.281 4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.799 7.348 3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.406 10.058 5.910 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.529 9.842 6.167 1.00 0.00 H new ATOM 141 N TYR A 430 1.615 5.813 -0.358 1.00 0.00 N ATOM 142 CA TYR A 430 2.720 5.559 -1.266 1.00 0.00 C ATOM 143 C TYR A 430 3.048 6.806 -2.091 1.00 0.00 C ATOM 144 O TYR A 430 2.147 7.508 -2.547 1.00 0.00 O ATOM 145 CB TYR A 430 2.246 4.450 -2.207 1.00 0.00 C ATOM 146 CG TYR A 430 3.085 4.314 -3.480 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.461 4.385 -3.411 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.464 4.119 -4.697 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.250 4.257 -4.608 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.253 3.991 -5.895 1.00 0.00 C ATOM 151 CZ TYR A 430 4.607 4.066 -5.792 1.00 0.00 C ATOM 152 OH TYR A 430 5.352 3.944 -6.923 1.00 0.00 O ATOM 0 H TYR A 430 0.700 5.867 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 430 3.617 5.282 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.261 3.501 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.210 4.642 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.946 4.537 -2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.387 4.062 -4.751 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.328 4.311 -4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.780 3.839 -6.854 1.00 0.00 H new ATOM 0 HH TYR A 430 5.814 3.080 -6.919 1.00 0.00 H new ATOM 162 N LYS A 431 4.341 7.042 -2.257 1.00 0.00 N ATOM 163 CA LYS A 431 4.800 8.192 -3.019 1.00 0.00 C ATOM 164 C LYS A 431 4.366 8.037 -4.478 1.00 0.00 C ATOM 165 O LYS A 431 4.416 6.940 -5.031 1.00 0.00 O ATOM 166 CB LYS A 431 6.307 8.385 -2.842 1.00 0.00 C ATOM 167 CG LYS A 431 7.044 8.185 -4.168 1.00 0.00 C ATOM 168 CD LYS A 431 8.510 8.609 -4.050 1.00 0.00 C ATOM 169 CE LYS A 431 8.671 10.105 -4.329 1.00 0.00 C ATOM 170 NZ LYS A 431 10.073 10.525 -4.107 1.00 0.00 N ATOM 0 H LYS A 431 5.085 6.457 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 431 4.339 9.106 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.507 9.385 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.683 7.679 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 431 6.987 7.138 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 431 6.556 8.765 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 431 8.879 8.380 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 431 9.116 8.037 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 431 8.378 10.323 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 431 8.007 10.676 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 10.165 11.543 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 10.340 10.335 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 10.700 9.993 -4.744 1.00 0.00 H new ATOM 183 N LYS A 432 3.951 9.153 -5.060 1.00 0.00 N ATOM 184 CA LYS A 432 3.509 9.155 -6.444 1.00 0.00 C ATOM 185 C LYS A 432 4.730 9.128 -7.365 1.00 0.00 C ATOM 186 O LYS A 432 5.404 10.142 -7.539 1.00 0.00 O ATOM 187 CB LYS A 432 2.569 10.334 -6.704 1.00 0.00 C ATOM 188 CG LYS A 432 1.566 10.002 -7.811 1.00 0.00 C ATOM 189 CD LYS A 432 0.291 10.834 -7.663 1.00 0.00 C ATOM 190 CE LYS A 432 -0.762 10.082 -6.846 1.00 0.00 C ATOM 191 NZ LYS A 432 -1.881 9.651 -7.714 1.00 0.00 N ATOM 0 H LYS A 432 3.912 10.062 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 432 2.927 8.259 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 432 2.035 10.587 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.150 11.212 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 432 2.018 10.192 -8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.318 8.941 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.525 11.781 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.109 11.071 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.308 9.213 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.138 10.723 -6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -2.490 8.989 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.438 10.481 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -1.502 9.180 -8.560 1.00 0.00 H new ATOM 204 N GLY A 433 4.977 7.956 -7.932 1.00 0.00 N ATOM 205 CA GLY A 433 6.106 7.782 -8.830 1.00 0.00 C ATOM 206 C GLY A 433 5.632 7.466 -10.250 1.00 0.00 C ATOM 207 O GLY A 433 6.443 7.356 -11.169 1.00 0.00 O ATOM 0 H GLY A 433 4.414 7.118 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.712 8.688 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.743 6.975 -8.467 1.00 0.00 H new ATOM 211 N PHE A 434 4.322 7.328 -10.386 1.00 0.00 N ATOM 212 CA PHE A 434 3.731 7.026 -11.678 1.00 0.00 C ATOM 213 C PHE A 434 2.598 8.002 -12.005 1.00 0.00 C ATOM 214 O PHE A 434 2.682 8.754 -12.975 1.00 0.00 O ATOM 215 CB PHE A 434 3.158 5.610 -11.589 1.00 0.00 C ATOM 216 CG PHE A 434 3.960 4.564 -12.365 1.00 0.00 C ATOM 217 CD1 PHE A 434 5.044 3.975 -11.792 1.00 0.00 C ATOM 218 CD2 PHE A 434 3.590 4.224 -13.629 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.788 3.004 -12.513 1.00 0.00 C ATOM 220 CE2 PHE A 434 4.334 3.253 -14.350 1.00 0.00 C ATOM 221 CZ PHE A 434 5.418 2.664 -13.777 1.00 0.00 C ATOM 0 H PHE A 434 3.652 7.420 -9.622 1.00 0.00 H new ATOM 0 HA PHE A 434 4.485 7.111 -12.460 1.00 0.00 H new ATOM 0 HB2 PHE A 434 3.111 5.313 -10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 434 2.134 5.619 -11.963 1.00 0.00 H new ATOM 0 HD1 PHE A 434 5.339 4.246 -10.789 1.00 0.00 H new ATOM 0 HD2 PHE A 434 2.730 4.693 -14.084 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.648 2.535 -12.058 1.00 0.00 H new ATOM 0 HE2 PHE A 434 4.039 2.982 -15.353 1.00 0.00 H new ATOM 0 HZ PHE A 434 5.985 1.926 -14.326 1.00 0.00 H new ATOM 231 N ASN A 435 1.565 7.958 -11.176 1.00 0.00 N ATOM 232 CA ASN A 435 0.417 8.828 -11.365 1.00 0.00 C ATOM 233 C ASN A 435 -0.836 8.137 -10.823 1.00 0.00 C ATOM 234 O ASN A 435 -1.601 8.735 -10.068 1.00 0.00 O ATOM 235 CB ASN A 435 0.189 9.125 -12.848 1.00 0.00 C ATOM 236 CG ASN A 435 0.380 7.866 -13.695 1.00 0.00 C ATOM 237 OD1 ASN A 435 0.626 6.781 -13.194 1.00 0.00 O ATOM 238 ND2 ASN A 435 0.255 8.070 -15.003 1.00 0.00 N ATOM 0 H ASN A 435 1.499 7.334 -10.372 1.00 0.00 H new ATOM 0 HA ASN A 435 0.611 9.761 -10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -0.818 9.516 -12.994 1.00 0.00 H new ATOM 0 HB3 ASN A 435 0.882 9.898 -13.178 1.00 0.00 H new ATOM 0 HD21 ASN A 435 0.366 7.292 -15.653 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.048 9.004 -15.356 1.00 0.00 H new ATOM 245 N SER A 436 -1.006 6.888 -11.229 1.00 0.00 N ATOM 246 CA SER A 436 -2.153 6.109 -10.794 1.00 0.00 C ATOM 247 C SER A 436 -1.730 4.666 -10.512 1.00 0.00 C ATOM 248 O SER A 436 -2.216 3.736 -11.153 1.00 0.00 O ATOM 249 CB SER A 436 -3.269 6.140 -11.841 1.00 0.00 C ATOM 250 OG SER A 436 -2.775 5.896 -13.155 1.00 0.00 O ATOM 0 H SER A 436 -0.369 6.396 -11.855 1.00 0.00 H new ATOM 0 HA SER A 436 -2.539 6.553 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.021 5.391 -11.592 1.00 0.00 H new ATOM 0 HB3 SER A 436 -3.764 7.111 -11.814 1.00 0.00 H new ATOM 0 HG SER A 436 -3.518 5.922 -13.794 1.00 0.00 H new ATOM 256 N PRO A 437 -0.804 4.521 -9.526 1.00 0.00 N ATOM 257 CA PRO A 437 -0.310 3.207 -9.151 1.00 0.00 C ATOM 258 C PRO A 437 -1.352 2.442 -8.333 1.00 0.00 C ATOM 259 O PRO A 437 -2.131 3.044 -7.594 1.00 0.00 O ATOM 260 CB PRO A 437 0.971 3.475 -8.378 1.00 0.00 C ATOM 261 CG PRO A 437 0.903 4.932 -7.950 1.00 0.00 C ATOM 262 CD PRO A 437 -0.207 5.600 -8.744 1.00 0.00 C ATOM 0 HA PRO A 437 -0.114 2.570 -10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 437 1.050 2.817 -7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.848 3.291 -8.999 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.706 5.007 -6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.856 5.429 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -0.941 6.065 -8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 437 0.185 6.386 -9.389 1.00 0.00 H new ATOM 270 N TYR A 438 -1.334 1.127 -8.492 1.00 0.00 N ATOM 271 CA TYR A 438 -2.268 0.273 -7.778 1.00 0.00 C ATOM 272 C TYR A 438 -1.600 -0.375 -6.564 1.00 0.00 C ATOM 273 O TYR A 438 -0.391 -0.607 -6.566 1.00 0.00 O ATOM 274 CB TYR A 438 -2.678 -0.821 -8.765 1.00 0.00 C ATOM 275 CG TYR A 438 -3.224 -0.290 -10.092 1.00 0.00 C ATOM 276 CD1 TYR A 438 -3.744 0.987 -10.162 1.00 0.00 C ATOM 277 CD2 TYR A 438 -3.197 -1.087 -11.218 1.00 0.00 C ATOM 278 CE1 TYR A 438 -4.258 1.487 -11.411 1.00 0.00 C ATOM 279 CE2 TYR A 438 -3.711 -0.587 -12.467 1.00 0.00 C ATOM 280 CZ TYR A 438 -4.216 0.675 -12.502 1.00 0.00 C ATOM 281 OH TYR A 438 -4.701 1.148 -13.681 1.00 0.00 O ATOM 0 H TYR A 438 -0.687 0.632 -9.105 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.119 0.851 -7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -1.815 -1.456 -8.967 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.435 -1.451 -8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -3.765 1.611 -9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -2.790 -2.086 -11.163 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -4.668 2.484 -11.480 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -3.696 -1.201 -13.356 1.00 0.00 H new ATOM 0 HH TYR A 438 -4.606 0.461 -14.373 1.00 0.00 H new ATOM 291 N ILE A 439 -2.415 -0.651 -5.557 1.00 0.00 N ATOM 292 CA ILE A 439 -1.918 -1.268 -4.339 1.00 0.00 C ATOM 293 C ILE A 439 -2.815 -2.450 -3.968 1.00 0.00 C ATOM 294 O ILE A 439 -4.010 -2.277 -3.731 1.00 0.00 O ATOM 295 CB ILE A 439 -1.783 -0.226 -3.226 1.00 0.00 C ATOM 296 CG1 ILE A 439 -1.339 -0.878 -1.915 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.079 0.571 -3.061 1.00 0.00 C ATOM 298 CD1 ILE A 439 -2.542 -1.412 -1.134 1.00 0.00 C ATOM 0 H ILE A 439 -3.417 -0.459 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.915 -1.665 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.005 0.481 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.647 -1.693 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -0.800 -0.151 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -2.956 1.304 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.312 1.084 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.894 -0.107 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -2.199 -1.870 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -3.220 -0.590 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -3.065 -2.156 -1.735 1.00 0.00 H new ATOM 310 N HIS A 440 -2.206 -3.626 -3.930 1.00 0.00 N ATOM 311 CA HIS A 440 -2.935 -4.836 -3.593 1.00 0.00 C ATOM 312 C HIS A 440 -2.753 -5.147 -2.106 1.00 0.00 C ATOM 313 O HIS A 440 -1.632 -5.352 -1.643 1.00 0.00 O ATOM 314 CB HIS A 440 -2.511 -5.995 -4.497 1.00 0.00 C ATOM 315 CG HIS A 440 -3.639 -6.928 -4.869 1.00 0.00 C ATOM 316 ND1 HIS A 440 -3.610 -7.726 -6.000 1.00 0.00 N ATOM 317 CD2 HIS A 440 -4.827 -7.182 -4.249 1.00 0.00 C ATOM 318 CE1 HIS A 440 -4.735 -8.423 -6.048 1.00 0.00 C ATOM 319 NE2 HIS A 440 -5.488 -8.084 -4.963 1.00 0.00 N ATOM 0 H HIS A 440 -1.215 -3.766 -4.127 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.000 -4.685 -3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.073 -5.590 -5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.730 -6.567 -3.995 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -5.171 -6.726 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -5.008 -9.135 -6.813 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -6.408 -8.462 -4.737 1.00 0.00 H new ATOM 327 N TYR A 441 -3.873 -5.173 -1.398 1.00 0.00 N ATOM 328 CA TYR A 441 -3.852 -5.455 0.027 1.00 0.00 C ATOM 329 C TYR A 441 -4.751 -6.646 0.364 1.00 0.00 C ATOM 330 O TYR A 441 -5.738 -6.899 -0.326 1.00 0.00 O ATOM 331 CB TYR A 441 -4.405 -4.204 0.713 1.00 0.00 C ATOM 332 CG TYR A 441 -5.839 -3.855 0.308 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.883 -4.668 0.697 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.087 -2.726 -0.447 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.232 -4.339 0.315 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.436 -2.397 -0.828 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.442 -3.220 -0.429 1.00 0.00 C ATOM 338 OH TYR A 441 -9.716 -2.910 -0.789 1.00 0.00 O ATOM 0 H TYR A 441 -4.801 -5.003 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.842 -5.699 0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.368 -4.348 1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.757 -3.359 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.689 -5.551 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.269 -2.090 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -9.059 -4.967 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.644 -1.516 -1.417 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.715 -2.084 -1.317 1.00 0.00 H new ATOM 348 N ARG A 442 -4.377 -7.348 1.424 1.00 0.00 N ATOM 349 CA ARG A 442 -5.137 -8.507 1.860 1.00 0.00 C ATOM 350 C ARG A 442 -5.075 -8.640 3.383 1.00 0.00 C ATOM 351 O ARG A 442 -3.991 -8.729 3.958 1.00 0.00 O ATOM 352 CB ARG A 442 -4.601 -9.789 1.220 1.00 0.00 C ATOM 353 CG ARG A 442 -4.966 -11.015 2.060 1.00 0.00 C ATOM 354 CD ARG A 442 -4.406 -12.294 1.436 1.00 0.00 C ATOM 355 NE ARG A 442 -3.667 -13.073 2.454 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.097 -14.275 2.222 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.178 -14.847 1.002 1.00 0.00 N ATOM 358 NH2 ARG A 442 -2.461 -14.882 3.206 1.00 0.00 N ATOM 0 H ARG A 442 -3.558 -7.136 1.993 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.171 -8.363 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.010 -9.897 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.518 -9.723 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.574 -10.898 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.050 -11.092 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.218 -12.894 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -3.744 -12.044 0.607 1.00 0.00 H new ATOM 0 HE ARG A 442 -3.583 -12.677 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -3.672 -14.371 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -2.745 -15.755 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.406 -14.443 4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.025 -15.790 3.048 1.00 0.00 H new ATOM 371 N PRO A 443 -6.282 -8.650 4.009 1.00 0.00 N ATOM 372 CA PRO A 443 -6.374 -8.771 5.454 1.00 0.00 C ATOM 373 C PRO A 443 -6.090 -10.206 5.904 1.00 0.00 C ATOM 374 O PRO A 443 -6.631 -11.156 5.339 1.00 0.00 O ATOM 375 CB PRO A 443 -7.781 -8.309 5.798 1.00 0.00 C ATOM 376 CG PRO A 443 -8.574 -8.388 4.504 1.00 0.00 C ATOM 377 CD PRO A 443 -7.586 -8.548 3.360 1.00 0.00 C ATOM 0 HA PRO A 443 -5.631 -8.167 5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.223 -8.943 6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.773 -7.292 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.266 -9.230 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.173 -7.488 4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -7.805 -9.437 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.625 -7.696 2.681 1.00 0.00 H new ATOM 385 N ALA A 444 -5.243 -10.318 6.916 1.00 0.00 N ATOM 386 CA ALA A 444 -4.880 -11.621 7.447 1.00 0.00 C ATOM 387 C ALA A 444 -6.152 -12.411 7.762 1.00 0.00 C ATOM 388 O ALA A 444 -6.828 -12.136 8.752 1.00 0.00 O ATOM 389 CB ALA A 444 -3.986 -11.440 8.676 1.00 0.00 C ATOM 0 H ALA A 444 -4.797 -9.528 7.383 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.312 -12.191 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.713 -12.417 9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.083 -10.899 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.524 -10.875 9.437 1.00 0.00 H new ATOM 395 N GLY A 445 -6.439 -13.376 6.902 1.00 0.00 N ATOM 396 CA GLY A 445 -7.618 -14.208 7.075 1.00 0.00 C ATOM 397 C GLY A 445 -8.736 -13.779 6.123 1.00 0.00 C ATOM 398 O GLY A 445 -9.860 -14.269 6.219 1.00 0.00 O ATOM 0 H GLY A 445 -5.875 -13.601 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.361 -15.252 6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -7.967 -14.141 8.105 1.00 0.00 H new ATOM 402 N GLY A 446 -8.389 -12.867 5.226 1.00 0.00 N ATOM 403 CA GLY A 446 -9.350 -12.367 4.258 1.00 0.00 C ATOM 404 C GLY A 446 -8.961 -12.777 2.837 1.00 0.00 C ATOM 405 O GLY A 446 -8.268 -13.775 2.642 1.00 0.00 O ATOM 0 H GLY A 446 -7.456 -12.462 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.342 -12.753 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.406 -11.280 4.324 1.00 0.00 H new ATOM 409 N SER A 447 -9.423 -11.986 1.879 1.00 0.00 N ATOM 410 CA SER A 447 -9.132 -12.255 0.481 1.00 0.00 C ATOM 411 C SER A 447 -8.401 -11.063 -0.140 1.00 0.00 C ATOM 412 O SER A 447 -8.501 -9.942 0.356 1.00 0.00 O ATOM 413 CB SER A 447 -10.413 -12.558 -0.299 1.00 0.00 C ATOM 414 OG SER A 447 -11.579 -12.377 0.498 1.00 0.00 O ATOM 0 H SER A 447 -9.997 -11.159 2.044 1.00 0.00 H new ATOM 0 HA SER A 447 -8.490 -13.134 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.467 -11.909 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.380 -13.584 -0.665 1.00 0.00 H new ATOM 0 HG SER A 447 -12.375 -12.579 -0.037 1.00 0.00 H new ATOM 420 N TRP A 448 -7.682 -11.346 -1.216 1.00 0.00 N ATOM 421 CA TRP A 448 -6.935 -10.311 -1.910 1.00 0.00 C ATOM 422 C TRP A 448 -7.938 -9.385 -2.600 1.00 0.00 C ATOM 423 O TRP A 448 -9.089 -9.762 -2.817 1.00 0.00 O ATOM 424 CB TRP A 448 -5.921 -10.923 -2.879 1.00 0.00 C ATOM 425 CG TRP A 448 -4.578 -11.274 -2.235 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.049 -12.489 -2.039 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.609 -10.344 -1.707 1.00 0.00 C ATOM 428 NE1 TRP A 448 -2.815 -12.412 -1.426 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.539 -11.066 -1.218 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.635 -8.940 -1.645 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.416 -10.469 -0.632 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.505 -8.359 -1.056 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.420 -9.071 -0.559 1.00 0.00 C ATOM 0 H TRP A 448 -7.601 -12.277 -1.624 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.346 -9.723 -1.206 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.350 -11.825 -3.315 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -5.748 -10.224 -3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -4.528 -13.414 -2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.216 -13.198 -1.172 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.461 -8.355 -2.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.591 -11.056 -0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.475 -7.282 -0.983 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.584 -8.548 -0.119 1.00 0.00 H new ATOM 444 N THR A 449 -7.465 -8.191 -2.927 1.00 0.00 N ATOM 445 CA THR A 449 -8.307 -7.208 -3.588 1.00 0.00 C ATOM 446 C THR A 449 -8.445 -7.539 -5.076 1.00 0.00 C ATOM 447 O THR A 449 -7.883 -8.524 -5.551 1.00 0.00 O ATOM 448 CB THR A 449 -7.712 -5.823 -3.326 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.047 -5.962 -2.073 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.785 -4.765 -3.063 1.00 0.00 C ATOM 0 H THR A 449 -6.510 -7.882 -2.747 1.00 0.00 H new ATOM 0 HA THR A 449 -9.321 -7.223 -3.188 1.00 0.00 H new ATOM 0 HB THR A 449 -7.106 -5.521 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.449 -5.352 -1.420 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.309 -3.801 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.442 -4.689 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.370 -5.050 -2.188 1.00 0.00 H new ATOM 458 N ALA A 450 -9.196 -6.696 -5.769 1.00 0.00 N ATOM 459 CA ALA A 450 -9.415 -6.886 -7.193 1.00 0.00 C ATOM 460 C ALA A 450 -8.144 -6.506 -7.956 1.00 0.00 C ATOM 461 O ALA A 450 -7.937 -5.337 -8.280 1.00 0.00 O ATOM 462 CB ALA A 450 -10.629 -6.067 -7.637 1.00 0.00 C ATOM 0 H ALA A 450 -9.661 -5.880 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.630 -7.932 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.793 -6.210 -8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.511 -6.396 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.449 -5.011 -7.435 1.00 0.00 H new ATOM 468 N ALA A 451 -7.327 -7.514 -8.220 1.00 0.00 N ATOM 469 CA ALA A 451 -6.082 -7.300 -8.938 1.00 0.00 C ATOM 470 C ALA A 451 -6.379 -6.612 -10.272 1.00 0.00 C ATOM 471 O ALA A 451 -7.356 -6.945 -10.941 1.00 0.00 O ATOM 472 CB ALA A 451 -5.360 -8.637 -9.119 1.00 0.00 C ATOM 0 H ALA A 451 -7.503 -8.482 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.420 -6.646 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.426 -8.476 -9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.145 -9.070 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.993 -9.319 -9.687 1.00 0.00 H new ATOM 478 N PRO A 452 -5.497 -5.640 -10.627 1.00 0.00 N ATOM 479 CA PRO A 452 -4.367 -5.308 -9.776 1.00 0.00 C ATOM 480 C PRO A 452 -4.817 -4.502 -8.556 1.00 0.00 C ATOM 481 O PRO A 452 -5.377 -3.416 -8.697 1.00 0.00 O ATOM 482 CB PRO A 452 -3.409 -4.542 -10.674 1.00 0.00 C ATOM 483 CG PRO A 452 -4.236 -4.071 -11.859 1.00 0.00 C ATOM 484 CD PRO A 452 -5.551 -4.835 -11.843 1.00 0.00 C ATOM 0 HA PRO A 452 -3.881 -6.190 -9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -2.968 -3.697 -10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.586 -5.178 -11.000 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.417 -2.998 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.702 -4.250 -12.792 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.403 -4.156 -11.831 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.656 -5.462 -12.729 1.00 0.00 H new ATOM 492 N GLY A 453 -4.555 -5.064 -7.385 1.00 0.00 N ATOM 493 CA GLY A 453 -4.927 -4.411 -6.141 1.00 0.00 C ATOM 494 C GLY A 453 -5.987 -3.335 -6.383 1.00 0.00 C ATOM 495 O GLY A 453 -6.946 -3.558 -7.121 1.00 0.00 O ATOM 0 H GLY A 453 -4.089 -5.964 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.309 -5.151 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.045 -3.962 -5.684 1.00 0.00 H new ATOM 499 N VAL A 454 -5.780 -2.192 -5.746 1.00 0.00 N ATOM 500 CA VAL A 454 -6.706 -1.081 -5.882 1.00 0.00 C ATOM 501 C VAL A 454 -5.919 0.207 -6.131 1.00 0.00 C ATOM 502 O VAL A 454 -4.855 0.411 -5.548 1.00 0.00 O ATOM 503 CB VAL A 454 -7.611 -1.000 -4.651 1.00 0.00 C ATOM 504 CG1 VAL A 454 -6.834 -0.499 -3.432 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.831 -0.118 -4.924 1.00 0.00 C ATOM 0 H VAL A 454 -4.984 -2.011 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.360 -1.233 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.968 -2.006 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.500 -0.451 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.013 -1.183 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.435 0.494 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.457 -0.078 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.502 0.889 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.404 -0.536 -5.752 1.00 0.00 H new ATOM 515 N LYS A 455 -6.471 1.043 -6.997 1.00 0.00 N ATOM 516 CA LYS A 455 -5.834 2.306 -7.330 1.00 0.00 C ATOM 517 C LYS A 455 -5.745 3.174 -6.074 1.00 0.00 C ATOM 518 O LYS A 455 -6.763 3.492 -5.461 1.00 0.00 O ATOM 519 CB LYS A 455 -6.559 2.982 -8.496 1.00 0.00 C ATOM 520 CG LYS A 455 -5.963 4.360 -8.787 1.00 0.00 C ATOM 521 CD LYS A 455 -7.064 5.410 -8.955 1.00 0.00 C ATOM 522 CE LYS A 455 -6.549 6.626 -9.727 1.00 0.00 C ATOM 523 NZ LYS A 455 -7.490 6.988 -10.810 1.00 0.00 N ATOM 0 H LYS A 455 -7.353 0.871 -7.479 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.814 2.139 -7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.488 2.356 -9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.619 3.082 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.298 4.652 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -5.358 4.315 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -7.911 4.972 -9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -7.425 5.723 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -6.425 7.470 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -5.567 6.408 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -7.126 7.815 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -7.588 6.188 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -8.419 7.216 -10.401 1.00 0.00 H new ATOM 536 N MET A 456 -4.518 3.535 -5.728 1.00 0.00 N ATOM 537 CA MET A 456 -4.283 4.360 -4.556 1.00 0.00 C ATOM 538 C MET A 456 -4.833 5.773 -4.761 1.00 0.00 C ATOM 539 O MET A 456 -4.535 6.420 -5.764 1.00 0.00 O ATOM 540 CB MET A 456 -2.781 4.433 -4.275 1.00 0.00 C ATOM 541 CG MET A 456 -2.375 3.425 -3.197 1.00 0.00 C ATOM 542 SD MET A 456 -1.496 4.256 -1.884 1.00 0.00 S ATOM 543 CE MET A 456 -0.258 3.026 -1.513 1.00 0.00 C ATOM 0 H MET A 456 -3.676 3.271 -6.239 1.00 0.00 H new ATOM 0 HA MET A 456 -4.799 3.909 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.226 4.234 -5.192 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.516 5.440 -3.954 1.00 0.00 H new ATOM 0 HG2 MET A 456 -3.261 2.931 -2.797 1.00 0.00 H new ATOM 0 HG3 MET A 456 -1.746 2.648 -3.632 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.436 3.421 -0.771 1.00 0.00 H new ATOM 0 HE2 MET A 456 -0.740 2.131 -1.119 1.00 0.00 H new ATOM 0 HE3 MET A 456 0.288 2.774 -2.422 1.00 0.00 H new ATOM 553 N GLN A 457 -5.626 6.211 -3.794 1.00 0.00 N ATOM 554 CA GLN A 457 -6.221 7.535 -3.856 1.00 0.00 C ATOM 555 C GLN A 457 -5.132 8.600 -4.006 1.00 0.00 C ATOM 556 O GLN A 457 -3.943 8.287 -3.960 1.00 0.00 O ATOM 557 CB GLN A 457 -7.086 7.806 -2.624 1.00 0.00 C ATOM 558 CG GLN A 457 -7.968 6.599 -2.297 1.00 0.00 C ATOM 559 CD GLN A 457 -9.443 7.000 -2.226 1.00 0.00 C ATOM 560 OE1 GLN A 457 -9.858 7.793 -1.397 1.00 0.00 O ATOM 561 NE2 GLN A 457 -10.209 6.410 -3.139 1.00 0.00 N ATOM 0 H GLN A 457 -5.870 5.672 -2.963 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.869 7.580 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.448 8.036 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.712 8.681 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -7.833 5.829 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.659 6.166 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -9.797 5.755 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -11.208 6.612 -3.174 1.00 0.00 H new ATOM 570 N ASP A 458 -5.577 9.835 -4.182 1.00 0.00 N ATOM 571 CA ASP A 458 -4.656 10.947 -4.339 1.00 0.00 C ATOM 572 C ASP A 458 -4.244 11.462 -2.958 1.00 0.00 C ATOM 573 O ASP A 458 -5.085 11.617 -2.073 1.00 0.00 O ATOM 574 CB ASP A 458 -5.311 12.103 -5.098 1.00 0.00 C ATOM 575 CG ASP A 458 -6.841 12.099 -5.086 1.00 0.00 C ATOM 576 OD1 ASP A 458 -7.487 11.834 -6.111 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.378 12.387 -3.950 1.00 0.00 O ATOM 0 H ASP A 458 -6.564 10.090 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.792 10.591 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -4.962 13.043 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.971 12.078 -6.133 1.00 0.00 H new ATOM 583 N ALA A 459 -2.951 11.714 -2.817 1.00 0.00 N ATOM 584 CA ALA A 459 -2.418 12.208 -1.559 1.00 0.00 C ATOM 585 C ALA A 459 -1.918 13.641 -1.749 1.00 0.00 C ATOM 586 O ALA A 459 -0.850 13.859 -2.318 1.00 0.00 O ATOM 587 CB ALA A 459 -1.317 11.267 -1.066 1.00 0.00 C ATOM 0 H ALA A 459 -2.257 11.585 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.195 12.229 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.917 11.638 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.730 10.269 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.518 11.223 -1.806 1.00 0.00 H new ATOM 593 N GLU A 460 -2.714 14.581 -1.262 1.00 0.00 N ATOM 594 CA GLU A 460 -2.366 15.988 -1.372 1.00 0.00 C ATOM 595 C GLU A 460 -1.022 16.256 -0.691 1.00 0.00 C ATOM 596 O GLU A 460 -0.411 17.301 -0.908 1.00 0.00 O ATOM 597 CB GLU A 460 -3.466 16.872 -0.782 1.00 0.00 C ATOM 598 CG GLU A 460 -3.562 16.691 0.734 1.00 0.00 C ATOM 599 CD GLU A 460 -4.652 17.587 1.326 1.00 0.00 C ATOM 600 OE1 GLU A 460 -5.565 18.012 0.603 1.00 0.00 O ATOM 601 OE2 GLU A 460 -4.526 17.839 2.585 1.00 0.00 O ATOM 0 H GLU A 460 -3.599 14.396 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.272 16.239 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.261 17.917 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.422 16.624 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.778 15.648 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.602 16.928 1.193 1.00 0.00 H new ATOM 609 N ILE A 461 -0.602 15.295 0.118 1.00 0.00 N ATOM 610 CA ILE A 461 0.658 15.415 0.832 1.00 0.00 C ATOM 611 C ILE A 461 1.620 16.281 0.016 1.00 0.00 C ATOM 612 O ILE A 461 2.227 17.210 0.548 1.00 0.00 O ATOM 613 CB ILE A 461 1.214 14.032 1.173 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.203 13.219 1.986 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.564 14.144 1.885 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.597 14.123 2.926 1.00 0.00 C ATOM 0 H ILE A 461 -1.112 14.429 0.295 1.00 0.00 H new ATOM 0 HA ILE A 461 0.509 15.917 1.788 1.00 0.00 H new ATOM 0 HB ILE A 461 1.385 13.494 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.476 12.697 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.725 12.457 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.937 13.146 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.275 14.657 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.442 14.709 2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.308 13.521 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 461 0.083 14.624 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -1.137 14.868 2.342 1.00 0.00 H new ATOM 628 N SER A 462 1.730 15.946 -1.261 1.00 0.00 N ATOM 629 CA SER A 462 2.609 16.681 -2.154 1.00 0.00 C ATOM 630 C SER A 462 3.021 15.793 -3.330 1.00 0.00 C ATOM 631 O SER A 462 4.193 15.750 -3.699 1.00 0.00 O ATOM 632 CB SER A 462 3.848 17.189 -1.414 1.00 0.00 C ATOM 633 OG SER A 462 3.668 18.513 -0.918 1.00 0.00 O ATOM 0 H SER A 462 1.225 15.175 -1.698 1.00 0.00 H new ATOM 0 HA SER A 462 2.065 17.546 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 462 4.075 16.519 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.706 17.167 -2.086 1.00 0.00 H new ATOM 0 HG SER A 462 3.117 18.487 -0.108 1.00 0.00 H new ATOM 639 N GLY A 463 2.033 15.107 -3.886 1.00 0.00 N ATOM 640 CA GLY A 463 2.278 14.222 -5.013 1.00 0.00 C ATOM 641 C GLY A 463 2.449 12.775 -4.546 1.00 0.00 C ATOM 642 O GLY A 463 3.373 12.086 -4.976 1.00 0.00 O ATOM 0 H GLY A 463 1.062 15.146 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.448 14.285 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.173 14.544 -5.545 1.00 0.00 H new ATOM 646 N TYR A 464 1.544 12.357 -3.674 1.00 0.00 N ATOM 647 CA TYR A 464 1.584 11.005 -3.144 1.00 0.00 C ATOM 648 C TYR A 464 0.234 10.307 -3.321 1.00 0.00 C ATOM 649 O TYR A 464 -0.698 10.882 -3.882 1.00 0.00 O ATOM 650 CB TYR A 464 1.879 11.146 -1.649 1.00 0.00 C ATOM 651 CG TYR A 464 3.365 11.051 -1.297 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.272 11.900 -1.898 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.798 10.116 -0.379 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.671 11.810 -1.567 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.197 10.027 -0.047 1.00 0.00 C ATOM 656 CZ TYR A 464 6.064 10.878 -0.657 1.00 0.00 C ATOM 657 OH TYR A 464 7.385 10.794 -0.344 1.00 0.00 O ATOM 0 H TYR A 464 0.778 12.931 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 464 2.336 10.411 -3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.494 12.105 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.337 10.371 -1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.933 12.632 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 464 3.088 9.451 0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.392 12.467 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.549 9.301 0.670 1.00 0.00 H new ATOM 0 HH TYR A 464 7.520 10.086 0.320 1.00 0.00 H new ATOM 667 N ALA A 465 0.171 9.077 -2.833 1.00 0.00 N ATOM 668 CA ALA A 465 -1.050 8.294 -2.930 1.00 0.00 C ATOM 669 C ALA A 465 -1.456 7.815 -1.535 1.00 0.00 C ATOM 670 O ALA A 465 -0.604 7.613 -0.672 1.00 0.00 O ATOM 671 CB ALA A 465 -0.836 7.135 -3.906 1.00 0.00 C ATOM 0 H ALA A 465 0.946 8.603 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.867 8.902 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.751 6.547 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.579 7.530 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -0.026 6.501 -3.546 1.00 0.00 H new ATOM 677 N LYS A 466 -2.759 7.647 -1.359 1.00 0.00 N ATOM 678 CA LYS A 466 -3.289 7.196 -0.083 1.00 0.00 C ATOM 679 C LYS A 466 -4.224 6.008 -0.316 1.00 0.00 C ATOM 680 O LYS A 466 -4.881 5.924 -1.353 1.00 0.00 O ATOM 681 CB LYS A 466 -3.945 8.358 0.666 1.00 0.00 C ATOM 682 CG LYS A 466 -2.910 9.419 1.046 1.00 0.00 C ATOM 683 CD LYS A 466 -3.572 10.784 1.242 1.00 0.00 C ATOM 684 CE LYS A 466 -4.386 10.818 2.537 1.00 0.00 C ATOM 685 NZ LYS A 466 -5.024 12.142 2.714 1.00 0.00 N ATOM 0 H LYS A 466 -3.463 7.815 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.483 6.846 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.719 8.806 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.436 7.985 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.400 9.123 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.151 9.487 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.809 11.562 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.221 11.002 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.149 10.040 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.738 10.604 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.572 12.148 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.290 12.878 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.658 12.332 1.912 1.00 0.00 H new ATOM 698 N ILE A 467 -4.255 5.119 0.666 1.00 0.00 N ATOM 699 CA ILE A 467 -5.099 3.939 0.581 1.00 0.00 C ATOM 700 C ILE A 467 -5.525 3.519 1.989 1.00 0.00 C ATOM 701 O ILE A 467 -4.695 3.433 2.892 1.00 0.00 O ATOM 702 CB ILE A 467 -4.394 2.831 -0.205 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.406 1.946 -0.934 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.470 2.017 0.704 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.098 2.716 -2.061 1.00 0.00 C ATOM 0 H ILE A 467 -3.709 5.192 1.525 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.010 4.162 0.025 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.768 3.297 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -4.901 1.071 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.151 1.582 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -2.981 1.236 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -2.715 2.673 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.055 1.561 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -6.812 2.063 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.623 3.576 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -5.353 3.058 -2.779 1.00 0.00 H new ATOM 717 N THR A 468 -6.818 3.269 2.132 1.00 0.00 N ATOM 718 CA THR A 468 -7.364 2.860 3.415 1.00 0.00 C ATOM 719 C THR A 468 -8.118 1.536 3.276 1.00 0.00 C ATOM 720 O THR A 468 -9.073 1.438 2.507 1.00 0.00 O ATOM 721 CB THR A 468 -8.234 4.002 3.943 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.567 5.181 3.501 1.00 0.00 O ATOM 723 CG2 THR A 468 -8.201 4.106 5.469 1.00 0.00 C ATOM 0 H THR A 468 -7.504 3.342 1.380 1.00 0.00 H new ATOM 0 HA THR A 468 -6.572 2.672 4.140 1.00 0.00 H new ATOM 0 HB THR A 468 -9.262 3.857 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 468 -8.066 5.970 3.799 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.835 4.932 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.567 3.176 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 468 -7.178 4.284 5.800 1.00 0.00 H new ATOM 731 N VAL A 469 -7.660 0.549 4.033 1.00 0.00 N ATOM 732 CA VAL A 469 -8.279 -0.765 4.004 1.00 0.00 C ATOM 733 C VAL A 469 -8.579 -1.214 5.436 1.00 0.00 C ATOM 734 O VAL A 469 -7.736 -1.082 6.321 1.00 0.00 O ATOM 735 CB VAL A 469 -7.385 -1.747 3.245 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.118 -3.064 2.980 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.877 -1.131 1.940 1.00 0.00 C ATOM 0 H VAL A 469 -6.868 0.633 4.670 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.228 -0.729 3.469 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.520 -1.965 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -7.460 -3.744 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -8.407 -3.517 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -9.009 -2.871 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.244 -1.850 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.725 -0.870 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.300 -0.233 2.162 1.00 0.00 H new ATOM 747 N ASP A 470 -9.784 -1.734 5.618 1.00 0.00 N ATOM 748 CA ASP A 470 -10.207 -2.203 6.927 1.00 0.00 C ATOM 749 C ASP A 470 -9.814 -3.673 7.088 1.00 0.00 C ATOM 750 O ASP A 470 -9.848 -4.438 6.126 1.00 0.00 O ATOM 751 CB ASP A 470 -11.725 -2.099 7.085 1.00 0.00 C ATOM 752 CG ASP A 470 -12.288 -2.740 8.355 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.631 -2.045 9.323 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.369 -4.027 8.327 1.00 0.00 O ATOM 0 H ASP A 470 -10.481 -1.841 4.881 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.723 -1.582 7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -12.005 -1.046 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -12.198 -2.565 6.220 1.00 0.00 H new ATOM 760 N ILE A 471 -9.450 -4.024 8.313 1.00 0.00 N ATOM 761 CA ILE A 471 -9.051 -5.388 8.613 1.00 0.00 C ATOM 762 C ILE A 471 -9.829 -5.886 9.833 1.00 0.00 C ATOM 763 O ILE A 471 -9.365 -6.771 10.551 1.00 0.00 O ATOM 764 CB ILE A 471 -7.532 -5.479 8.773 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.091 -4.938 10.135 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.816 -4.778 7.618 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.594 -5.164 10.356 1.00 0.00 C ATOM 0 H ILE A 471 -9.423 -3.387 9.109 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.301 -6.049 7.783 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.247 -6.530 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.315 -3.873 10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.657 -5.429 10.926 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.738 -4.858 7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -7.097 -5.249 6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -7.102 -3.727 7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.307 -4.770 11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.378 -6.232 10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -5.030 -4.651 9.577 1.00 0.00 H new ATOM 779 N GLY A 472 -10.999 -5.295 10.031 1.00 0.00 N ATOM 780 CA GLY A 472 -11.845 -5.667 11.152 1.00 0.00 C ATOM 781 C GLY A 472 -12.018 -7.186 11.228 1.00 0.00 C ATOM 782 O GLY A 472 -13.031 -7.722 10.779 1.00 0.00 O ATOM 0 H GLY A 472 -11.380 -4.561 9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.407 -5.300 12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.820 -5.191 11.050 1.00 0.00 H new ATOM 786 N SER A 473 -11.015 -7.836 11.799 1.00 0.00 N ATOM 787 CA SER A 473 -11.044 -9.282 11.939 1.00 0.00 C ATOM 788 C SER A 473 -9.625 -9.846 11.836 1.00 0.00 C ATOM 789 O SER A 473 -9.387 -11.003 12.179 1.00 0.00 O ATOM 790 CB SER A 473 -11.946 -9.920 10.881 1.00 0.00 C ATOM 791 OG SER A 473 -13.298 -10.016 11.321 1.00 0.00 O ATOM 0 H SER A 473 -10.177 -7.388 12.170 1.00 0.00 H new ATOM 0 HA SER A 473 -11.454 -9.522 12.920 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.904 -9.331 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.572 -10.915 10.638 1.00 0.00 H new ATOM 0 HG SER A 473 -13.715 -9.130 11.293 1.00 0.00 H new ATOM 797 N ALA A 474 -8.720 -9.002 11.362 1.00 0.00 N ATOM 798 CA ALA A 474 -7.331 -9.402 11.209 1.00 0.00 C ATOM 799 C ALA A 474 -6.441 -8.457 12.020 1.00 0.00 C ATOM 800 O ALA A 474 -6.641 -7.244 12.004 1.00 0.00 O ATOM 801 CB ALA A 474 -6.965 -9.417 9.724 1.00 0.00 C ATOM 0 H ALA A 474 -8.921 -8.043 11.079 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.177 -10.411 11.593 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.923 -9.717 9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.606 -10.124 9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.104 -8.420 9.305 1.00 0.00 H new ATOM 807 N SER A 475 -5.478 -9.050 12.709 1.00 0.00 N ATOM 808 CA SER A 475 -4.556 -8.277 13.525 1.00 0.00 C ATOM 809 C SER A 475 -3.494 -7.624 12.638 1.00 0.00 C ATOM 810 O SER A 475 -2.707 -6.804 13.108 1.00 0.00 O ATOM 811 CB SER A 475 -3.894 -9.154 14.589 1.00 0.00 C ATOM 812 OG SER A 475 -4.303 -8.797 15.906 1.00 0.00 O ATOM 0 H SER A 475 -5.316 -10.057 12.719 1.00 0.00 H new ATOM 0 HA SER A 475 -5.122 -7.498 14.036 1.00 0.00 H new ATOM 0 HB2 SER A 475 -4.142 -10.199 14.403 1.00 0.00 H new ATOM 0 HB3 SER A 475 -2.811 -9.065 14.509 1.00 0.00 H new ATOM 0 HG SER A 475 -3.860 -9.381 16.556 1.00 0.00 H new ATOM 818 N GLN A 476 -3.506 -8.013 11.372 1.00 0.00 N ATOM 819 CA GLN A 476 -2.553 -7.476 10.415 1.00 0.00 C ATOM 820 C GLN A 476 -3.121 -7.557 8.997 1.00 0.00 C ATOM 821 O GLN A 476 -4.065 -8.304 8.744 1.00 0.00 O ATOM 822 CB GLN A 476 -1.211 -8.204 10.510 1.00 0.00 C ATOM 823 CG GLN A 476 -0.157 -7.327 11.189 1.00 0.00 C ATOM 824 CD GLN A 476 1.253 -7.855 10.919 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.326 -9.180 10.825 1.00 0.00 O flip ATOM 826 NE2 GLN A 476 2.211 -7.109 10.804 1.00 0.00 N flip ATOM 0 H GLN A 476 -4.160 -8.694 10.986 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.378 -6.427 10.656 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.335 -9.130 11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.871 -8.479 9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.242 -6.303 10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.339 -7.299 12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 476 2.085 -6.100 10.887 1.00 0.00 H new ATOM 0 HE22 GLN A 476 3.138 -7.494 10.624 1.00 0.00 H new ATOM 835 N LEU A 477 -2.523 -6.776 8.109 1.00 0.00 N ATOM 836 CA LEU A 477 -2.959 -6.750 6.723 1.00 0.00 C ATOM 837 C LEU A 477 -1.736 -6.627 5.811 1.00 0.00 C ATOM 838 O LEU A 477 -0.779 -5.928 6.141 1.00 0.00 O ATOM 839 CB LEU A 477 -3.999 -5.649 6.509 1.00 0.00 C ATOM 840 CG LEU A 477 -3.966 -4.950 5.148 1.00 0.00 C ATOM 841 CD1 LEU A 477 -4.877 -5.661 4.145 1.00 0.00 C ATOM 842 CD2 LEU A 477 -4.312 -3.466 5.284 1.00 0.00 C ATOM 0 H LEU A 477 -1.741 -6.157 8.322 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.459 -7.683 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.990 -6.081 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.866 -4.896 7.285 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.950 -5.009 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -4.835 -5.144 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -4.544 -6.691 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -5.902 -5.655 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -4.281 -2.994 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -5.312 -3.363 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -3.590 -2.983 5.942 1.00 0.00 H new ATOM 854 N GLU A 478 -1.808 -7.317 4.682 1.00 0.00 N ATOM 855 CA GLU A 478 -0.718 -7.294 3.721 1.00 0.00 C ATOM 856 C GLU A 478 -1.013 -6.284 2.609 1.00 0.00 C ATOM 857 O GLU A 478 -2.171 -6.060 2.261 1.00 0.00 O ATOM 858 CB GLU A 478 -0.467 -8.688 3.143 1.00 0.00 C ATOM 859 CG GLU A 478 0.360 -9.540 4.108 1.00 0.00 C ATOM 860 CD GLU A 478 -0.060 -11.010 4.039 1.00 0.00 C ATOM 861 OE1 GLU A 478 -0.903 -11.376 3.206 1.00 0.00 O ATOM 862 OE2 GLU A 478 0.523 -11.784 4.890 1.00 0.00 O ATOM 0 H GLU A 478 -2.604 -7.895 4.411 1.00 0.00 H new ATOM 0 HA GLU A 478 0.190 -6.982 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -1.419 -9.179 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 478 0.054 -8.602 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 478 1.418 -9.449 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 478 0.234 -9.169 5.125 1.00 0.00 H new ATOM 870 N ALA A 479 0.055 -5.703 2.083 1.00 0.00 N ATOM 871 CA ALA A 479 -0.075 -4.723 1.018 1.00 0.00 C ATOM 872 C ALA A 479 0.953 -5.024 -0.074 1.00 0.00 C ATOM 873 O ALA A 479 1.955 -5.693 0.178 1.00 0.00 O ATOM 874 CB ALA A 479 0.086 -3.316 1.597 1.00 0.00 C ATOM 0 H ALA A 479 1.014 -5.892 2.374 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.065 -4.778 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -0.011 -2.581 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -0.685 -3.141 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 479 1.069 -3.223 2.058 1.00 0.00 H new ATOM 880 N ALA A 480 0.670 -4.517 -1.265 1.00 0.00 N ATOM 881 CA ALA A 480 1.557 -4.724 -2.397 1.00 0.00 C ATOM 882 C ALA A 480 1.522 -3.488 -3.299 1.00 0.00 C ATOM 883 O ALA A 480 0.489 -2.832 -3.420 1.00 0.00 O ATOM 884 CB ALA A 480 1.150 -5.998 -3.138 1.00 0.00 C ATOM 0 H ALA A 480 -0.161 -3.963 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 480 2.585 -4.857 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 480 1.815 -6.153 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 480 1.220 -6.850 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.124 -5.900 -3.494 1.00 0.00 H new ATOM 890 N PHE A 481 2.665 -3.208 -3.909 1.00 0.00 N ATOM 891 CA PHE A 481 2.778 -2.063 -4.796 1.00 0.00 C ATOM 892 C PHE A 481 2.883 -2.508 -6.256 1.00 0.00 C ATOM 893 O PHE A 481 3.527 -3.512 -6.557 1.00 0.00 O ATOM 894 CB PHE A 481 4.059 -1.321 -4.407 1.00 0.00 C ATOM 895 CG PHE A 481 4.552 -0.334 -5.467 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.671 0.502 -6.080 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.871 -0.292 -5.796 1.00 0.00 C ATOM 898 CE1 PHE A 481 4.129 1.418 -7.064 1.00 0.00 C ATOM 899 CE2 PHE A 481 6.329 0.624 -6.780 1.00 0.00 C ATOM 900 CZ PHE A 481 5.448 1.460 -7.393 1.00 0.00 C ATOM 0 H PHE A 481 3.520 -3.754 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 481 1.896 -1.430 -4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.886 -0.782 -3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.845 -2.051 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.624 0.469 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.570 -0.955 -5.309 1.00 0.00 H new ATOM 0 HE1 PHE A 481 3.430 2.081 -7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 481 7.376 0.657 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.796 2.157 -8.141 1.00 0.00 H new ATOM 910 N ASN A 482 2.241 -1.740 -7.123 1.00 0.00 N ATOM 911 CA ASN A 482 2.255 -2.043 -8.544 1.00 0.00 C ATOM 912 C ASN A 482 1.862 -0.791 -9.332 1.00 0.00 C ATOM 913 O ASN A 482 0.910 -0.100 -8.973 1.00 0.00 O ATOM 914 CB ASN A 482 1.251 -3.148 -8.881 1.00 0.00 C ATOM 915 CG ASN A 482 1.060 -4.095 -7.695 1.00 0.00 C ATOM 916 OD1 ASN A 482 1.840 -5.003 -7.461 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.019 -3.833 -6.962 1.00 0.00 N ATOM 0 H ASN A 482 1.708 -0.908 -6.869 1.00 0.00 H new ATOM 0 HA ASN A 482 3.259 -2.375 -8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 482 0.294 -2.704 -9.154 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.600 -3.710 -9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -0.235 -4.409 -6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -0.631 -3.057 -7.214 1.00 0.00 H new ATOM 924 N ASP A 483 2.616 -0.537 -10.392 1.00 0.00 N ATOM 925 CA ASP A 483 2.359 0.619 -11.233 1.00 0.00 C ATOM 926 C ASP A 483 1.074 0.388 -12.032 1.00 0.00 C ATOM 927 O ASP A 483 0.561 1.307 -12.669 1.00 0.00 O ATOM 928 CB ASP A 483 3.500 0.842 -12.227 1.00 0.00 C ATOM 929 CG ASP A 483 3.991 -0.419 -12.941 1.00 0.00 C ATOM 930 OD1 ASP A 483 3.568 -1.540 -12.621 1.00 0.00 O ATOM 931 OD2 ASP A 483 4.857 -0.215 -13.875 1.00 0.00 O ATOM 0 H ASP A 483 3.405 -1.112 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 483 2.268 1.492 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 483 3.173 1.562 -12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 483 4.340 1.292 -11.698 1.00 0.00 H new ATOM 1097 N ASN A 495 4.898 -10.240 -0.620 1.00 0.00 N ATOM 1098 CA ASN A 495 3.861 -9.323 -0.179 1.00 0.00 C ATOM 1099 C ASN A 495 4.256 -8.724 1.172 1.00 0.00 C ATOM 1100 O ASN A 495 4.798 -9.420 2.029 1.00 0.00 O ATOM 1101 CB ASN A 495 2.525 -10.047 -0.003 1.00 0.00 C ATOM 1102 CG ASN A 495 2.698 -11.327 0.816 1.00 0.00 C ATOM 1103 OD1 ASN A 495 2.046 -11.321 1.975 1.00 0.00 O flip ATOM 1104 ND2 ASN A 495 3.380 -12.259 0.422 1.00 0.00 N flip ATOM 0 HA ASN A 495 3.754 -8.546 -0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 495 1.813 -9.388 0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.108 -10.290 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 495 3.855 -12.199 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 495 3.475 -13.098 0.994 1.00 0.00 H new ATOM 1111 N TYR A 496 3.969 -7.439 1.321 1.00 0.00 N ATOM 1112 CA TYR A 496 4.288 -6.739 2.553 1.00 0.00 C ATOM 1113 C TYR A 496 3.211 -6.978 3.614 1.00 0.00 C ATOM 1114 O TYR A 496 2.081 -7.336 3.287 1.00 0.00 O ATOM 1115 CB TYR A 496 4.315 -5.251 2.198 1.00 0.00 C ATOM 1116 CG TYR A 496 5.519 -4.836 1.350 1.00 0.00 C ATOM 1117 CD1 TYR A 496 6.798 -4.979 1.851 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.328 -4.319 0.085 1.00 0.00 C ATOM 1119 CE1 TYR A 496 7.931 -4.588 1.053 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.461 -3.929 -0.712 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.707 -4.082 -0.189 1.00 0.00 C ATOM 1122 OH TYR A 496 8.778 -3.713 -0.942 1.00 0.00 O ATOM 0 H TYR A 496 3.519 -6.865 0.608 1.00 0.00 H new ATOM 0 HA TYR A 496 5.237 -7.089 2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.401 -4.999 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.314 -4.668 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 496 6.948 -5.384 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.328 -4.207 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 496 8.936 -4.694 1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.325 -3.524 -1.704 1.00 0.00 H new ATOM 0 HH TYR A 496 8.566 -3.830 -1.892 1.00 0.00 H new ATOM 1132 N SER A 497 3.600 -6.770 4.863 1.00 0.00 N ATOM 1133 CA SER A 497 2.683 -6.958 5.974 1.00 0.00 C ATOM 1134 C SER A 497 2.721 -5.738 6.897 1.00 0.00 C ATOM 1135 O SER A 497 3.795 -5.239 7.227 1.00 0.00 O ATOM 1136 CB SER A 497 3.020 -8.228 6.758 1.00 0.00 C ATOM 1137 OG SER A 497 2.359 -8.268 8.020 1.00 0.00 O ATOM 0 H SER A 497 4.538 -6.473 5.130 1.00 0.00 H new ATOM 0 HA SER A 497 1.676 -7.069 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.736 -9.102 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.098 -8.284 6.911 1.00 0.00 H new ATOM 0 HG SER A 497 2.563 -9.115 8.469 1.00 0.00 H new ATOM 1143 N PHE A 498 1.535 -5.294 7.287 1.00 0.00 N ATOM 1144 CA PHE A 498 1.419 -4.142 8.165 1.00 0.00 C ATOM 1145 C PHE A 498 0.293 -4.339 9.183 1.00 0.00 C ATOM 1146 O PHE A 498 -0.665 -5.064 8.920 1.00 0.00 O ATOM 1147 CB PHE A 498 1.087 -2.938 7.282 1.00 0.00 C ATOM 1148 CG PHE A 498 2.012 -2.779 6.074 1.00 0.00 C ATOM 1149 CD1 PHE A 498 3.360 -2.870 6.232 1.00 0.00 C ATOM 1150 CD2 PHE A 498 1.487 -2.546 4.841 1.00 0.00 C ATOM 1151 CE1 PHE A 498 4.218 -2.722 5.111 1.00 0.00 C ATOM 1152 CE2 PHE A 498 2.345 -2.399 3.720 1.00 0.00 C ATOM 1153 CZ PHE A 498 3.693 -2.490 3.878 1.00 0.00 C ATOM 0 H PHE A 498 0.646 -5.711 7.011 1.00 0.00 H new ATOM 0 HA PHE A 498 2.349 -3.999 8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 498 0.059 -3.031 6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 498 1.137 -2.032 7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 498 3.778 -3.055 7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 498 0.417 -2.473 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 498 5.288 -2.794 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 498 1.927 -2.215 2.741 1.00 0.00 H new ATOM 0 HZ PHE A 498 4.346 -2.378 3.025 1.00 0.00 H new ATOM 1163 N SER A 499 0.447 -3.681 10.322 1.00 0.00 N ATOM 1164 CA SER A 499 -0.544 -3.776 11.380 1.00 0.00 C ATOM 1165 C SER A 499 -1.415 -2.518 11.395 1.00 0.00 C ATOM 1166 O SER A 499 -0.952 -1.433 11.044 1.00 0.00 O ATOM 1167 CB SER A 499 0.122 -3.975 12.743 1.00 0.00 C ATOM 1168 OG SER A 499 1.508 -3.648 12.713 1.00 0.00 O ATOM 0 H SER A 499 1.243 -3.080 10.536 1.00 0.00 H new ATOM 0 HA SER A 499 -1.172 -4.644 11.182 1.00 0.00 H new ATOM 0 HB2 SER A 499 -0.381 -3.356 13.486 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.001 -5.012 13.058 1.00 0.00 H new ATOM 0 HG SER A 499 1.896 -3.787 13.602 1.00 0.00 H new ATOM 1174 N THR A 500 -2.661 -2.704 11.804 1.00 0.00 N ATOM 1175 CA THR A 500 -3.601 -1.598 11.868 1.00 0.00 C ATOM 1176 C THR A 500 -2.866 -0.290 12.166 1.00 0.00 C ATOM 1177 O THR A 500 -1.882 -0.281 12.904 1.00 0.00 O ATOM 1178 CB THR A 500 -4.669 -1.945 12.907 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.923 -2.291 14.070 1.00 0.00 O ATOM 1180 CG2 THR A 500 -5.432 -3.225 12.559 1.00 0.00 C ATOM 0 H THR A 500 -3.042 -3.605 12.095 1.00 0.00 H new ATOM 0 HA THR A 500 -4.097 -1.444 10.910 1.00 0.00 H new ATOM 0 HB THR A 500 -5.372 -1.116 12.995 1.00 0.00 H new ATOM 0 HG1 THR A 500 -4.538 -2.528 14.795 1.00 0.00 H new ATOM 0 HG21 THR A 500 -6.177 -3.425 13.329 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.928 -3.102 11.596 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.734 -4.061 12.504 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.372 0.783 11.576 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.775 2.094 11.768 1.00 0.00 C ATOM 1190 C GLY A 501 -2.479 2.765 10.425 1.00 0.00 C ATOM 1191 O GLY A 501 -3.239 2.611 9.470 1.00 0.00 O ATOM 0 H GLY A 501 -4.189 0.771 10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.448 2.722 12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.853 1.997 12.341 1.00 0.00 H new ATOM 1195 N THR A 502 -1.374 3.494 10.395 1.00 0.00 N ATOM 1196 CA THR A 502 -0.969 4.189 9.185 1.00 0.00 C ATOM 1197 C THR A 502 0.492 3.877 8.854 1.00 0.00 C ATOM 1198 O THR A 502 1.352 3.912 9.732 1.00 0.00 O ATOM 1199 CB THR A 502 -1.242 5.682 9.383 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.422 5.716 10.180 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.648 6.380 8.084 1.00 0.00 C ATOM 0 H THR A 502 -0.746 3.619 11.189 1.00 0.00 H new ATOM 0 HA THR A 502 -1.544 3.850 8.323 1.00 0.00 H new ATOM 0 HB THR A 502 -0.353 6.163 9.790 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.670 6.647 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.830 7.437 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.847 6.280 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.557 5.922 7.693 1.00 0.00 H new ATOM 1209 N SER A 503 0.727 3.579 7.585 1.00 0.00 N ATOM 1210 CA SER A 503 2.069 3.261 7.127 1.00 0.00 C ATOM 1211 C SER A 503 2.373 4.016 5.832 1.00 0.00 C ATOM 1212 O SER A 503 1.471 4.286 5.040 1.00 0.00 O ATOM 1213 CB SER A 503 2.236 1.755 6.915 1.00 0.00 C ATOM 1214 OG SER A 503 0.986 1.104 6.704 1.00 0.00 O ATOM 0 H SER A 503 0.011 3.551 6.859 1.00 0.00 H new ATOM 0 HA SER A 503 2.776 3.573 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 503 2.886 1.579 6.057 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.730 1.319 7.783 1.00 0.00 H new ATOM 0 HG SER A 503 1.135 0.145 6.571 1.00 0.00 H new ATOM 1220 N THR A 504 3.647 4.336 5.656 1.00 0.00 N ATOM 1221 CA THR A 504 4.081 5.055 4.471 1.00 0.00 C ATOM 1222 C THR A 504 4.975 4.165 3.605 1.00 0.00 C ATOM 1223 O THR A 504 5.822 3.438 4.122 1.00 0.00 O ATOM 1224 CB THR A 504 4.766 6.346 4.925 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.686 7.206 5.277 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.463 7.075 3.775 1.00 0.00 C ATOM 0 H THR A 504 4.392 4.110 6.315 1.00 0.00 H new ATOM 0 HA THR A 504 3.234 5.324 3.840 1.00 0.00 H new ATOM 0 HB THR A 504 5.494 6.116 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 504 2.882 6.671 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.933 7.984 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.224 6.426 3.341 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.730 7.335 3.012 1.00 0.00 H new ATOM 1234 N TYR A 505 4.757 4.252 2.301 1.00 0.00 N ATOM 1235 CA TYR A 505 5.532 3.464 1.358 1.00 0.00 C ATOM 1236 C TYR A 505 6.318 4.366 0.405 1.00 0.00 C ATOM 1237 O TYR A 505 5.737 5.202 -0.285 1.00 0.00 O ATOM 1238 CB TYR A 505 4.516 2.652 0.552 1.00 0.00 C ATOM 1239 CG TYR A 505 5.138 1.532 -0.284 1.00 0.00 C ATOM 1240 CD1 TYR A 505 5.759 0.469 0.339 1.00 0.00 C ATOM 1241 CD2 TYR A 505 5.077 1.584 -1.662 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.344 -0.586 -0.447 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.662 0.529 -2.449 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.267 -0.504 -1.803 1.00 0.00 C ATOM 1245 OH TYR A 505 6.819 -1.500 -2.546 1.00 0.00 O ATOM 0 H TYR A 505 4.054 4.857 1.875 1.00 0.00 H new ATOM 0 HA TYR A 505 6.249 2.833 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.787 2.218 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.971 3.325 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.806 0.428 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.591 2.416 -2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 505 6.833 -1.423 0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.621 0.557 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 505 7.272 -2.137 -1.955 1.00 0.00 H new ATOM 1255 N THR A 506 7.628 4.166 0.397 1.00 0.00 N ATOM 1256 CA THR A 506 8.500 4.952 -0.460 1.00 0.00 C ATOM 1257 C THR A 506 9.395 4.034 -1.295 1.00 0.00 C ATOM 1258 O THR A 506 9.786 2.961 -0.839 1.00 0.00 O ATOM 1259 CB THR A 506 9.283 5.923 0.425 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.364 6.983 0.676 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.435 6.598 -0.322 1.00 0.00 C ATOM 0 H THR A 506 8.107 3.471 0.970 1.00 0.00 H new ATOM 0 HA THR A 506 7.926 5.536 -1.179 1.00 0.00 H new ATOM 0 HB THR A 506 9.675 5.389 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.790 7.657 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.958 7.277 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.129 5.839 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 506 10.040 7.160 -1.168 1.00 0.00 H new ATOM 1269 N PRO A 507 9.700 4.502 -2.535 1.00 0.00 N ATOM 1270 CA PRO A 507 10.542 3.735 -3.438 1.00 0.00 C ATOM 1271 C PRO A 507 12.010 3.805 -3.011 1.00 0.00 C ATOM 1272 O PRO A 507 12.461 4.826 -2.494 1.00 0.00 O ATOM 1273 CB PRO A 507 10.293 4.335 -4.812 1.00 0.00 C ATOM 1274 CG PRO A 507 9.684 5.705 -4.565 1.00 0.00 C ATOM 1275 CD PRO A 507 9.254 5.768 -3.108 1.00 0.00 C ATOM 0 HA PRO A 507 10.305 2.671 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.222 4.417 -5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.619 3.708 -5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.408 6.490 -4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.830 5.867 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.710 6.616 -2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.174 5.885 -3.019 1.00 0.00 H new ATOM 1346 N GLY A 514 11.698 -0.986 -1.790 1.00 0.00 N ATOM 1347 CA GLY A 514 10.424 -0.588 -1.217 1.00 0.00 C ATOM 1348 C GLY A 514 10.537 -0.404 0.298 1.00 0.00 C ATOM 1349 O GLY A 514 10.582 -1.380 1.044 1.00 0.00 O ATOM 0 HA2 GLY A 514 10.090 0.342 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.669 -1.342 -1.440 1.00 0.00 H new ATOM 1353 N THR A 515 10.580 0.856 0.706 1.00 0.00 N ATOM 1354 CA THR A 515 10.688 1.181 2.118 1.00 0.00 C ATOM 1355 C THR A 515 9.299 1.404 2.722 1.00 0.00 C ATOM 1356 O THR A 515 8.438 2.019 2.095 1.00 0.00 O ATOM 1357 CB THR A 515 11.611 2.394 2.255 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.464 3.084 1.017 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.090 2.003 2.290 1.00 0.00 C ATOM 0 H THR A 515 10.542 1.663 0.084 1.00 0.00 H new ATOM 0 HA THR A 515 11.125 0.356 2.681 1.00 0.00 H new ATOM 0 HB THR A 515 11.358 2.941 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.512 3.162 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.701 2.900 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.272 1.345 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.351 1.485 1.367 1.00 0.00 H new ATOM 1367 N ILE A 516 9.126 0.891 3.931 1.00 0.00 N ATOM 1368 CA ILE A 516 7.857 1.026 4.626 1.00 0.00 C ATOM 1369 C ILE A 516 8.088 1.718 5.971 1.00 0.00 C ATOM 1370 O ILE A 516 9.054 1.418 6.670 1.00 0.00 O ATOM 1371 CB ILE A 516 7.164 -0.333 4.745 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.302 -1.134 3.448 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.702 -0.169 5.165 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.246 -2.638 3.724 1.00 0.00 C ATOM 0 H ILE A 516 9.843 0.381 4.447 1.00 0.00 H new ATOM 0 HA ILE A 516 7.175 1.657 4.055 1.00 0.00 H new ATOM 0 HB ILE A 516 7.662 -0.902 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.504 -0.857 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.245 -0.885 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.233 -1.150 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.655 0.332 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.174 0.428 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.346 -3.184 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.060 -2.915 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 516 6.292 -2.887 4.189 1.00 0.00 H new ATOM 1386 N THR A 517 7.184 2.632 6.292 1.00 0.00 N ATOM 1387 CA THR A 517 7.277 3.370 7.541 1.00 0.00 C ATOM 1388 C THR A 517 5.962 3.271 8.318 1.00 0.00 C ATOM 1389 O THR A 517 4.925 2.935 7.749 1.00 0.00 O ATOM 1390 CB THR A 517 7.682 4.808 7.211 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.280 4.979 5.854 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.200 4.996 7.177 1.00 0.00 C ATOM 0 H THR A 517 6.384 2.878 5.709 1.00 0.00 H new ATOM 0 HA THR A 517 8.038 2.945 8.196 1.00 0.00 H new ATOM 0 HB THR A 517 7.249 5.485 7.948 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.547 5.869 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.433 6.034 6.938 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.620 4.745 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.630 4.344 6.417 1.00 0.00 H new ATOM 1400 N SER A 518 6.050 3.570 9.605 1.00 0.00 N ATOM 1401 CA SER A 518 4.880 3.519 10.466 1.00 0.00 C ATOM 1402 C SER A 518 4.418 4.938 10.806 1.00 0.00 C ATOM 1403 O SER A 518 4.879 5.528 11.782 1.00 0.00 O ATOM 1404 CB SER A 518 5.173 2.736 11.747 1.00 0.00 C ATOM 1405 OG SER A 518 5.158 1.328 11.527 1.00 0.00 O ATOM 0 H SER A 518 6.913 3.848 10.073 1.00 0.00 H new ATOM 0 HA SER A 518 4.084 3.003 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 518 6.147 3.032 12.138 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.434 2.992 12.506 1.00 0.00 H new ATOM 0 HG SER A 518 5.351 0.863 12.368 1.00 0.00 H new ATOM 1411 N GLY A 519 3.513 5.444 9.981 1.00 0.00 N ATOM 1412 CA GLY A 519 2.984 6.783 10.181 1.00 0.00 C ATOM 1413 C GLY A 519 3.124 7.623 8.910 1.00 0.00 C ATOM 1414 O GLY A 519 4.181 7.632 8.281 1.00 0.00 O ATOM 0 H GLY A 519 3.133 4.951 9.173 1.00 0.00 H new ATOM 0 HA2 GLY A 519 1.934 6.724 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.512 7.268 11.002 1.00 0.00 H new ATOM 1418 N ALA A 520 2.043 8.310 8.571 1.00 0.00 N ATOM 1419 CA ALA A 520 2.031 9.151 7.387 1.00 0.00 C ATOM 1420 C ALA A 520 3.136 10.204 7.503 1.00 0.00 C ATOM 1421 O ALA A 520 3.564 10.540 8.607 1.00 0.00 O ATOM 1422 CB ALA A 520 0.645 9.777 7.218 1.00 0.00 C ATOM 0 H ALA A 520 1.169 8.301 9.096 1.00 0.00 H new ATOM 0 HA ALA A 520 2.232 8.559 6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.637 10.408 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.100 8.988 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.409 10.381 8.094 1.00 0.00 H new ATOM 1428 N PRO A 521 3.578 10.707 6.320 1.00 0.00 N ATOM 1429 CA PRO A 521 4.625 11.714 6.279 1.00 0.00 C ATOM 1430 C PRO A 521 4.086 13.082 6.699 1.00 0.00 C ATOM 1431 O PRO A 521 2.913 13.384 6.483 1.00 0.00 O ATOM 1432 CB PRO A 521 5.137 11.690 4.848 1.00 0.00 C ATOM 1433 CG PRO A 521 4.053 11.009 4.028 1.00 0.00 C ATOM 1434 CD PRO A 521 3.095 10.332 4.994 1.00 0.00 C ATOM 0 HA PRO A 521 5.434 11.510 6.981 1.00 0.00 H new ATOM 0 HB2 PRO A 521 5.326 12.700 4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 521 6.079 11.145 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.524 11.738 3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.491 10.277 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 521 2.070 10.668 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 521 3.099 9.250 4.863 1.00 0.00 H new