USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 625 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 609 SER OG : rot 81:sc= 0.178 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 537 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 534 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.5!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 540 TYR OH : rot 180:sc= 0 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -1.9 K(o=-1.9,f=-1) USER MOD Single : A 546 SER OG : rot 48:sc= 0.419 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HD1:sc= -5.19 K(o=-5.2,f=-2.9!) USER MOD Single : A 551 TYR OH : rot 173:sc= -4.81! USER MOD Single : A 557 SER OG : rot 180:sc= -0.274 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 565 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.641) USER MOD Single : A 566 MET CE :methyl 163:sc= -2.52! (180deg=-3.38!) USER MOD Single : A 567 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 572 SER OG : rot 76:sc= 0.00236 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.8) USER MOD Single : A 592 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.2) USER MOD Single : A 595 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.3!) USER MOD Single : A 596 ASN : amide:sc= 0 K(o=0,f=0.76) USER MOD Single : A 597 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 605 ASN : amide:sc= -2.58! C(o=-2.6!,f=-7.4!) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 171:sc= -1.23 USER MOD Single : A 615 TYR OH : rot 161:sc= 1.06 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 THR OG1 : rot -22:sc= 0.56 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 632 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 534 -3.071 13.935 -7.100 1.00 0.00 N ATOM 44 CA ASN A 534 -2.703 12.658 -7.689 1.00 0.00 C ATOM 45 C ASN A 534 -3.135 11.527 -6.753 1.00 0.00 C ATOM 46 O ASN A 534 -3.571 11.778 -5.631 1.00 0.00 O ATOM 47 CB ASN A 534 -1.189 12.558 -7.885 1.00 0.00 C ATOM 48 CG ASN A 534 -0.825 12.597 -9.371 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.612 12.256 -10.238 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.408 13.032 -9.614 1.00 0.00 N ATOM 0 HA ASN A 534 -3.198 12.577 -8.657 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.696 13.379 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.821 11.633 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.746 13.096 -10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 534 1.015 13.302 -8.840 1.00 0.00 H new ATOM 57 N LYS A 535 -2.998 10.307 -7.250 1.00 0.00 N ATOM 58 CA LYS A 535 -3.369 9.136 -6.473 1.00 0.00 C ATOM 59 C LYS A 535 -2.331 8.034 -6.693 1.00 0.00 C ATOM 60 O LYS A 535 -1.644 8.018 -7.713 1.00 0.00 O ATOM 61 CB LYS A 535 -4.801 8.707 -6.800 1.00 0.00 C ATOM 62 CG LYS A 535 -5.812 9.735 -6.286 1.00 0.00 C ATOM 63 CD LYS A 535 -6.861 10.053 -7.353 1.00 0.00 C ATOM 64 CE LYS A 535 -8.017 9.052 -7.301 1.00 0.00 C ATOM 65 NZ LYS A 535 -9.000 9.449 -6.268 1.00 0.00 N ATOM 0 H LYS A 535 -2.635 10.103 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.367 9.369 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -4.912 8.590 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.005 7.735 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.303 9.352 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.292 10.649 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.243 11.063 -7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -6.399 10.030 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.505 9.000 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -7.633 8.055 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.778 8.759 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -8.535 9.476 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -9.379 10.391 -6.493 1.00 0.00 H new ATOM 78 N VAL A 536 -2.251 7.138 -5.720 1.00 0.00 N ATOM 79 CA VAL A 536 -1.309 6.035 -5.795 1.00 0.00 C ATOM 80 C VAL A 536 -2.062 4.714 -5.627 1.00 0.00 C ATOM 81 O VAL A 536 -2.689 4.480 -4.595 1.00 0.00 O ATOM 82 CB VAL A 536 -0.197 6.225 -4.761 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.849 7.225 -5.258 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.772 6.657 -3.411 1.00 0.00 C ATOM 0 H VAL A 536 -2.823 7.154 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.826 6.012 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 536 0.299 5.264 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.628 7.342 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 536 1.292 6.858 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 536 0.373 8.189 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.039 6.785 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -1.305 7.600 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.460 5.894 -3.048 1.00 0.00 H new ATOM 94 N THR A 537 -1.976 3.885 -6.656 1.00 0.00 N ATOM 95 CA THR A 537 -2.642 2.593 -6.635 1.00 0.00 C ATOM 96 C THR A 537 -1.640 1.482 -6.318 1.00 0.00 C ATOM 97 O THR A 537 -0.646 1.317 -7.023 1.00 0.00 O ATOM 98 CB THR A 537 -3.353 2.406 -7.977 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.507 3.236 -7.878 1.00 0.00 O ATOM 100 CG2 THR A 537 -3.921 0.996 -8.147 1.00 0.00 C ATOM 0 H THR A 537 -1.455 4.082 -7.510 1.00 0.00 H new ATOM 0 HA THR A 537 -3.391 2.547 -5.845 1.00 0.00 H new ATOM 0 HB THR A 537 -2.657 2.617 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.025 3.176 -8.708 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.415 0.917 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.111 0.268 -8.092 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.642 0.796 -7.355 1.00 0.00 H new ATOM 108 N VAL A 538 -1.937 0.747 -5.256 1.00 0.00 N ATOM 109 CA VAL A 538 -1.075 -0.345 -4.836 1.00 0.00 C ATOM 110 C VAL A 538 -1.906 -1.621 -4.696 1.00 0.00 C ATOM 111 O VAL A 538 -2.939 -1.623 -4.028 1.00 0.00 O ATOM 112 CB VAL A 538 -0.339 0.034 -3.549 1.00 0.00 C ATOM 113 CG1 VAL A 538 1.006 -0.688 -3.453 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.157 1.550 -3.448 1.00 0.00 C ATOM 0 H VAL A 538 -2.763 0.886 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.309 -0.537 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 538 -0.951 -0.287 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.508 -0.401 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.842 -1.766 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.628 -0.413 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.369 1.793 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.424 1.904 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.133 2.034 -3.448 1.00 0.00 H new ATOM 124 N TYR A 539 -1.425 -2.676 -5.337 1.00 0.00 N ATOM 125 CA TYR A 539 -2.111 -3.956 -5.292 1.00 0.00 C ATOM 126 C TYR A 539 -1.386 -4.935 -4.367 1.00 0.00 C ATOM 127 O TYR A 539 -0.172 -5.107 -4.468 1.00 0.00 O ATOM 128 CB TYR A 539 -2.078 -4.503 -6.721 1.00 0.00 C ATOM 129 CG TYR A 539 -3.284 -4.096 -7.570 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.470 -2.774 -7.917 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.186 -5.053 -7.990 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.605 -2.391 -8.717 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.321 -4.670 -8.790 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.474 -3.358 -9.113 1.00 0.00 C ATOM 135 OH TYR A 539 -6.546 -2.997 -9.869 1.00 0.00 O ATOM 0 H TYR A 539 -0.568 -2.671 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.126 -3.834 -4.914 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.168 -4.157 -7.211 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -2.025 -5.591 -6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -2.764 -2.025 -7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -4.041 -6.088 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -4.762 -1.359 -8.996 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.034 -5.408 -9.126 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.080 -3.791 -10.079 1.00 0.00 H new ATOM 145 N TYR A 540 -2.160 -5.553 -3.487 1.00 0.00 N ATOM 146 CA TYR A 540 -1.606 -6.510 -2.545 1.00 0.00 C ATOM 147 C TYR A 540 -2.156 -7.914 -2.803 1.00 0.00 C ATOM 148 O TYR A 540 -3.344 -8.079 -3.073 1.00 0.00 O ATOM 149 CB TYR A 540 -2.056 -6.046 -1.158 1.00 0.00 C ATOM 150 CG TYR A 540 -1.532 -6.913 -0.011 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.196 -6.867 0.333 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.394 -7.740 0.678 1.00 0.00 C ATOM 153 CE1 TYR A 540 0.297 -7.683 1.413 1.00 0.00 C ATOM 154 CE2 TYR A 540 -1.901 -8.556 1.757 1.00 0.00 C ATOM 155 CZ TYR A 540 -0.580 -8.487 2.071 1.00 0.00 C ATOM 156 OH TYR A 540 -0.114 -9.258 3.091 1.00 0.00 O ATOM 0 H TYR A 540 -3.167 -5.409 -3.407 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.521 -6.556 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.724 -5.019 -1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -3.145 -6.037 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.479 -6.220 -0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.439 -7.776 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 540 1.340 -7.657 1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -2.565 -9.208 2.304 1.00 0.00 H new ATOM 0 HH TYR A 540 -0.852 -9.780 3.470 1.00 0.00 H new ATOM 166 N LYS A 541 -1.265 -8.890 -2.710 1.00 0.00 N ATOM 167 CA LYS A 541 -1.646 -10.275 -2.930 1.00 0.00 C ATOM 168 C LYS A 541 -2.110 -10.888 -1.607 1.00 0.00 C ATOM 169 O LYS A 541 -1.317 -11.046 -0.681 1.00 0.00 O ATOM 170 CB LYS A 541 -0.506 -11.045 -3.599 1.00 0.00 C ATOM 171 CG LYS A 541 -0.865 -12.523 -3.763 1.00 0.00 C ATOM 172 CD LYS A 541 -0.400 -13.053 -5.122 1.00 0.00 C ATOM 173 CE LYS A 541 -0.499 -14.578 -5.179 1.00 0.00 C ATOM 174 NZ LYS A 541 -1.325 -15.001 -6.332 1.00 0.00 N ATOM 0 H LYS A 541 -0.280 -8.749 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.487 -10.334 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.291 -10.609 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.401 -10.951 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -0.403 -13.104 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.943 -12.652 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -1.008 -12.616 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.630 -12.745 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 541 0.498 -15.010 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.935 -14.955 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -1.382 -16.039 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -2.282 -14.604 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -0.893 -14.658 -7.213 1.00 0.00 H new ATOM 187 N LYS A 542 -3.392 -11.217 -1.562 1.00 0.00 N ATOM 188 CA LYS A 542 -3.971 -11.810 -0.368 1.00 0.00 C ATOM 189 C LYS A 542 -3.935 -13.334 -0.491 1.00 0.00 C ATOM 190 O LYS A 542 -4.194 -13.880 -1.562 1.00 0.00 O ATOM 191 CB LYS A 542 -5.371 -11.247 -0.115 1.00 0.00 C ATOM 192 CG LYS A 542 -6.282 -12.304 0.512 1.00 0.00 C ATOM 193 CD LYS A 542 -7.397 -11.651 1.332 1.00 0.00 C ATOM 194 CE LYS A 542 -8.234 -10.707 0.465 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.563 -10.485 1.077 1.00 0.00 N ATOM 0 H LYS A 542 -4.047 -11.084 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.383 -11.547 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.305 -10.381 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.803 -10.900 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.718 -12.925 -0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.694 -12.963 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -8.038 -12.422 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.964 -11.098 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.716 -9.755 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -8.352 -11.129 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -10.119 -9.843 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -10.061 -11.394 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.445 -10.062 2.020 1.00 0.00 H new ATOM 208 N GLY A 543 -3.610 -13.979 0.620 1.00 0.00 N ATOM 209 CA GLY A 543 -3.317 -13.256 1.846 1.00 0.00 C ATOM 210 C GLY A 543 -3.556 -14.138 3.073 1.00 0.00 C ATOM 211 O GLY A 543 -3.134 -15.292 3.104 1.00 0.00 O ATOM 0 H GLY A 543 -3.543 -14.994 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.281 -12.917 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.943 -12.366 1.906 1.00 0.00 H new ATOM 215 N PHE A 544 -4.232 -13.560 4.055 1.00 0.00 N ATOM 216 CA PHE A 544 -4.532 -14.279 5.281 1.00 0.00 C ATOM 217 C PHE A 544 -6.043 -14.408 5.486 1.00 0.00 C ATOM 218 O PHE A 544 -6.613 -15.477 5.271 1.00 0.00 O ATOM 219 CB PHE A 544 -3.942 -13.463 6.434 1.00 0.00 C ATOM 220 CG PHE A 544 -2.519 -13.872 6.820 1.00 0.00 C ATOM 221 CD1 PHE A 544 -2.300 -15.050 7.462 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.472 -13.056 6.520 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.979 -15.429 7.820 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.151 -13.435 6.878 1.00 0.00 C ATOM 225 CZ PHE A 544 0.067 -14.613 7.520 1.00 0.00 C ATOM 0 H PHE A 544 -4.580 -12.602 4.026 1.00 0.00 H new ATOM 0 HA PHE A 544 -4.111 -15.283 5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -3.944 -12.409 6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.588 -13.565 7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -3.131 -15.698 7.700 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -1.646 -12.120 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.805 -16.365 8.330 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.680 -12.787 6.640 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.072 -14.901 7.792 1.00 0.00 H new ATOM 235 N ASN A 545 -6.649 -13.304 5.898 1.00 0.00 N ATOM 236 CA ASN A 545 -8.082 -13.281 6.134 1.00 0.00 C ATOM 237 C ASN A 545 -8.598 -11.849 5.972 1.00 0.00 C ATOM 238 O ASN A 545 -9.569 -11.613 5.256 1.00 0.00 O ATOM 239 CB ASN A 545 -8.415 -13.746 7.553 1.00 0.00 C ATOM 240 CG ASN A 545 -7.249 -13.476 8.505 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.175 -12.452 9.164 1.00 0.00 O ATOM 242 ND2 ASN A 545 -6.344 -14.450 8.541 1.00 0.00 N ATOM 0 H ASN A 545 -6.173 -12.419 6.074 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.553 -13.952 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -9.307 -13.230 7.909 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -8.644 -14.812 7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -5.527 -14.365 9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -6.467 -15.282 7.963 1.00 0.00 H new ATOM 249 N SER A 546 -7.925 -10.932 6.650 1.00 0.00 N ATOM 250 CA SER A 546 -8.302 -9.530 6.591 1.00 0.00 C ATOM 251 C SER A 546 -7.207 -8.666 7.218 1.00 0.00 C ATOM 252 O SER A 546 -7.441 -7.989 8.218 1.00 0.00 O ATOM 253 CB SER A 546 -9.638 -9.289 7.297 1.00 0.00 C ATOM 254 OG SER A 546 -10.722 -9.208 6.376 1.00 0.00 O ATOM 0 H SER A 546 -7.120 -11.132 7.244 1.00 0.00 H new ATOM 0 HA SER A 546 -8.420 -9.252 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.824 -10.096 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.582 -8.365 7.873 1.00 0.00 H new ATOM 0 HG SER A 546 -10.671 -9.955 5.744 1.00 0.00 H new ATOM 260 N PRO A 547 -6.003 -8.717 6.588 1.00 0.00 N ATOM 261 CA PRO A 547 -4.870 -7.947 7.074 1.00 0.00 C ATOM 262 C PRO A 547 -5.027 -6.465 6.728 1.00 0.00 C ATOM 263 O PRO A 547 -5.622 -6.121 5.708 1.00 0.00 O ATOM 264 CB PRO A 547 -3.653 -8.584 6.423 1.00 0.00 C ATOM 265 CG PRO A 547 -4.182 -9.382 5.243 1.00 0.00 C ATOM 266 CD PRO A 547 -5.688 -9.507 5.402 1.00 0.00 C ATOM 0 HA PRO A 547 -4.780 -7.969 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.943 -7.825 6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.127 -9.229 7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -3.937 -8.884 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -3.719 -10.368 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -6.211 -9.129 4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -5.988 -10.547 5.528 1.00 0.00 H new ATOM 274 N TYR A 548 -4.482 -5.626 7.597 1.00 0.00 N ATOM 275 CA TYR A 548 -4.553 -4.189 7.396 1.00 0.00 C ATOM 276 C TYR A 548 -3.213 -3.637 6.906 1.00 0.00 C ATOM 277 O TYR A 548 -2.178 -4.282 7.061 1.00 0.00 O ATOM 278 CB TYR A 548 -4.869 -3.587 8.767 1.00 0.00 C ATOM 279 CG TYR A 548 -6.338 -3.201 8.953 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.801 -1.994 8.470 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.200 -4.060 9.604 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.183 -1.630 8.646 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.582 -3.697 9.779 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.006 -2.500 9.292 1.00 0.00 C ATOM 285 OH TYR A 548 -10.311 -2.156 9.457 1.00 0.00 O ATOM 0 H TYR A 548 -3.989 -5.914 8.442 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.306 -3.943 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.592 -4.304 9.540 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.250 -2.702 8.916 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.127 -1.322 7.960 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.838 -5.005 9.982 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.558 -0.688 8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.267 -4.361 10.286 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.780 -2.872 9.934 1.00 0.00 H new ATOM 295 N ILE A 549 -3.276 -2.447 6.326 1.00 0.00 N ATOM 296 CA ILE A 549 -2.081 -1.801 5.813 1.00 0.00 C ATOM 297 C ILE A 549 -2.001 -0.375 6.362 1.00 0.00 C ATOM 298 O ILE A 549 -3.021 0.297 6.504 1.00 0.00 O ATOM 299 CB ILE A 549 -2.046 -1.873 4.285 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.221 -0.726 3.700 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.461 -1.915 3.706 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.492 -1.167 2.429 1.00 0.00 C ATOM 0 H ILE A 549 -4.136 -1.914 6.200 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.189 -2.326 6.155 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.553 -2.802 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.873 0.118 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.497 -0.381 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.408 -1.966 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -3.983 -2.793 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.002 -1.016 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 549 0.087 -0.332 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.177 -1.995 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.221 -1.488 1.685 1.00 0.00 H new ATOM 314 N HIS A 550 -0.779 0.044 6.658 1.00 0.00 N ATOM 315 CA HIS A 550 -0.554 1.378 7.189 1.00 0.00 C ATOM 316 C HIS A 550 0.444 2.122 6.299 1.00 0.00 C ATOM 317 O HIS A 550 1.600 1.717 6.184 1.00 0.00 O ATOM 318 CB HIS A 550 -0.110 1.312 8.651 1.00 0.00 C ATOM 319 CG HIS A 550 -0.293 2.606 9.407 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.957 3.698 8.875 1.00 0.00 N ATOM 321 CD2 HIS A 550 0.108 2.972 10.659 1.00 0.00 C ATOM 322 CE1 HIS A 550 -0.950 4.671 9.775 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.289 4.219 10.879 1.00 0.00 N ATOM 0 H HIS A 550 0.065 -0.516 6.540 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.487 1.941 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.672 0.526 9.156 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.941 1.027 8.688 1.00 0.00 H new ATOM 0 HD2 HIS A 550 0.656 2.352 11.353 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.390 5.650 9.655 1.00 0.00 H new ATOM 0 HE2 HIS A 550 -0.126 4.752 11.733 1.00 0.00 H new ATOM 331 N TYR A 551 -0.039 3.197 5.694 1.00 0.00 N ATOM 332 CA TYR A 551 0.797 4.001 4.818 1.00 0.00 C ATOM 333 C TYR A 551 0.774 5.472 5.239 1.00 0.00 C ATOM 334 O TYR A 551 -0.130 5.904 5.952 1.00 0.00 O ATOM 335 CB TYR A 551 0.188 3.874 3.420 1.00 0.00 C ATOM 336 CG TYR A 551 -1.307 3.551 3.420 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.198 4.403 4.042 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.766 2.408 2.797 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.605 4.099 4.042 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.174 2.104 2.797 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.024 2.965 3.419 1.00 0.00 C ATOM 342 OH TYR A 551 -5.353 2.678 3.419 1.00 0.00 O ATOM 0 H TYR A 551 -0.998 3.530 5.793 1.00 0.00 H new ATOM 0 HA TYR A 551 1.832 3.661 4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.348 4.807 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.718 3.094 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.839 5.298 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.070 1.742 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.312 4.757 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.546 1.213 2.314 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.520 1.901 2.845 1.00 0.00 H new ATOM 352 N ARG A 552 1.781 6.201 4.779 1.00 0.00 N ATOM 353 CA ARG A 552 1.888 7.615 5.099 1.00 0.00 C ATOM 354 C ARG A 552 2.477 8.383 3.914 1.00 0.00 C ATOM 355 O ARG A 552 3.248 7.830 3.132 1.00 0.00 O ATOM 356 CB ARG A 552 2.769 7.835 6.330 1.00 0.00 C ATOM 357 CG ARG A 552 3.869 8.859 6.041 1.00 0.00 C ATOM 358 CD ARG A 552 4.616 9.237 7.321 1.00 0.00 C ATOM 359 NE ARG A 552 6.037 8.835 7.216 1.00 0.00 N ATOM 360 CZ ARG A 552 7.026 9.343 7.980 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.758 10.280 8.914 1.00 0.00 N ATOM 362 NH2 ARG A 552 8.260 8.911 7.800 1.00 0.00 N ATOM 0 H ARG A 552 2.529 5.839 4.188 1.00 0.00 H new ATOM 0 HA ARG A 552 0.885 7.984 5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 552 2.156 8.179 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.218 6.889 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.570 8.449 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.431 9.752 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.545 10.312 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 552 4.154 8.749 8.179 1.00 0.00 H new ATOM 0 HE ARG A 552 6.284 8.129 6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.802 10.609 9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.512 10.659 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 552 8.454 8.203 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 552 9.019 9.285 8.369 1.00 0.00 H new ATOM 375 N PRO A 553 2.080 9.681 3.816 1.00 0.00 N ATOM 376 CA PRO A 553 2.560 10.531 2.741 1.00 0.00 C ATOM 377 C PRO A 553 4.010 10.957 2.984 1.00 0.00 C ATOM 378 O PRO A 553 4.462 11.008 4.126 1.00 0.00 O ATOM 379 CB PRO A 553 1.595 11.704 2.706 1.00 0.00 C ATOM 380 CG PRO A 553 0.891 11.705 4.053 1.00 0.00 C ATOM 381 CD PRO A 553 1.167 10.369 4.724 1.00 0.00 C ATOM 0 HA PRO A 553 2.580 10.020 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 553 2.126 12.642 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.879 11.597 1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 553 1.253 12.525 4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.181 11.853 3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.615 10.505 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.248 9.801 4.868 1.00 0.00 H new ATOM 389 N ALA A 554 4.698 11.250 1.890 1.00 0.00 N ATOM 390 CA ALA A 554 6.087 11.670 1.970 1.00 0.00 C ATOM 391 C ALA A 554 6.305 12.454 3.266 1.00 0.00 C ATOM 392 O ALA A 554 6.914 11.947 4.207 1.00 0.00 O ATOM 393 CB ALA A 554 6.446 12.487 0.727 1.00 0.00 C ATOM 0 H ALA A 554 4.320 11.205 0.944 1.00 0.00 H new ATOM 0 HA ALA A 554 6.749 10.804 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.488 12.802 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.302 11.876 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.804 13.366 0.671 1.00 0.00 H new ATOM 399 N GLY A 555 5.795 13.676 3.273 1.00 0.00 N ATOM 400 CA GLY A 555 5.926 14.535 4.438 1.00 0.00 C ATOM 401 C GLY A 555 4.557 15.013 4.924 1.00 0.00 C ATOM 402 O GLY A 555 4.098 16.088 4.541 1.00 0.00 O ATOM 0 H GLY A 555 5.290 14.092 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 555 6.431 13.994 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 555 6.549 15.395 4.192 1.00 0.00 H new ATOM 406 N GLY A 556 3.941 14.190 5.760 1.00 0.00 N ATOM 407 CA GLY A 556 2.633 14.514 6.303 1.00 0.00 C ATOM 408 C GLY A 556 2.477 13.966 7.723 1.00 0.00 C ATOM 409 O GLY A 556 2.818 14.640 8.694 1.00 0.00 O ATOM 0 H GLY A 556 4.324 13.299 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 556 2.496 15.595 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.856 14.098 5.662 1.00 0.00 H new ATOM 413 N SER A 557 1.961 12.748 7.799 1.00 0.00 N ATOM 414 CA SER A 557 1.755 12.102 9.084 1.00 0.00 C ATOM 415 C SER A 557 1.440 10.619 8.879 1.00 0.00 C ATOM 416 O SER A 557 1.412 10.137 7.748 1.00 0.00 O ATOM 417 CB SER A 557 0.631 12.780 9.869 1.00 0.00 C ATOM 418 OG SER A 557 0.323 12.083 11.073 1.00 0.00 O ATOM 0 H SER A 557 1.680 12.192 6.992 1.00 0.00 H new ATOM 0 HA SER A 557 2.673 12.196 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.922 13.803 10.107 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.262 12.839 9.246 1.00 0.00 H new ATOM 0 HG SER A 557 -0.398 12.549 11.545 1.00 0.00 H new ATOM 424 N TRP A 558 1.210 9.936 9.991 1.00 0.00 N ATOM 425 CA TRP A 558 0.897 8.518 9.948 1.00 0.00 C ATOM 426 C TRP A 558 -0.573 8.346 10.336 1.00 0.00 C ATOM 427 O TRP A 558 -0.957 8.632 11.469 1.00 0.00 O ATOM 428 CB TRP A 558 1.849 7.719 10.840 1.00 0.00 C ATOM 429 CG TRP A 558 3.181 7.370 10.175 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.367 7.973 10.337 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.418 6.306 9.229 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.346 7.378 9.568 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.751 6.332 8.872 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.534 5.353 8.692 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.320 5.430 7.966 1.00 0.00 C ATOM 436 CZ3 TRP A 558 3.118 4.459 7.787 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.458 4.472 7.418 1.00 0.00 C ATOM 0 H TRP A 558 1.234 10.339 10.928 1.00 0.00 H new ATOM 0 HA TRP A 558 1.040 8.122 8.943 1.00 0.00 H new ATOM 0 HB2 TRP A 558 2.046 8.291 11.747 1.00 0.00 H new ATOM 0 HB3 TRP A 558 1.355 6.797 11.146 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.535 8.818 10.988 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.326 7.655 9.519 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.488 5.314 8.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.367 5.470 7.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.483 3.706 7.344 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.833 3.746 6.712 1.00 0.00 H new ATOM 448 N THR A 559 -1.355 7.879 9.374 1.00 0.00 N ATOM 449 CA THR A 559 -2.774 7.665 9.601 1.00 0.00 C ATOM 450 C THR A 559 -2.997 6.917 10.917 1.00 0.00 C ATOM 451 O THR A 559 -2.041 6.483 11.558 1.00 0.00 O ATOM 452 CB THR A 559 -3.343 6.934 8.383 1.00 0.00 C ATOM 453 OG1 THR A 559 -2.805 7.643 7.270 1.00 0.00 O ATOM 454 CG2 THR A 559 -4.856 7.116 8.244 1.00 0.00 C ATOM 0 H THR A 559 -1.033 7.643 8.436 1.00 0.00 H new ATOM 0 HA THR A 559 -3.304 8.611 9.707 1.00 0.00 H new ATOM 0 HB THR A 559 -3.111 5.872 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.122 7.234 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.208 6.577 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.353 6.725 9.132 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.087 8.176 8.137 1.00 0.00 H new ATOM 462 N ALA A 560 -4.265 6.789 11.280 1.00 0.00 N ATOM 463 CA ALA A 560 -4.626 6.101 12.508 1.00 0.00 C ATOM 464 C ALA A 560 -4.388 4.600 12.335 1.00 0.00 C ATOM 465 O ALA A 560 -5.136 3.927 11.627 1.00 0.00 O ATOM 466 CB ALA A 560 -6.077 6.425 12.867 1.00 0.00 C ATOM 0 H ALA A 560 -5.055 7.150 10.745 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.003 6.440 13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.348 5.909 13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.185 7.500 13.008 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -6.733 6.097 12.061 1.00 0.00 H new ATOM 472 N ALA A 561 -3.345 4.118 12.994 1.00 0.00 N ATOM 473 CA ALA A 561 -3.000 2.709 12.922 1.00 0.00 C ATOM 474 C ALA A 561 -4.065 1.889 13.653 1.00 0.00 C ATOM 475 O ALA A 561 -4.477 2.244 14.757 1.00 0.00 O ATOM 476 CB ALA A 561 -1.600 2.495 13.502 1.00 0.00 C ATOM 0 H ALA A 561 -2.727 4.679 13.581 1.00 0.00 H new ATOM 0 HA ALA A 561 -2.978 2.372 11.886 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.341 1.437 13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -0.876 3.075 12.929 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -1.584 2.820 14.542 1.00 0.00 H new ATOM 482 N PRO A 562 -4.491 0.780 12.992 1.00 0.00 N ATOM 483 CA PRO A 562 -3.951 0.432 11.689 1.00 0.00 C ATOM 484 C PRO A 562 -4.520 1.343 10.599 1.00 0.00 C ATOM 485 O PRO A 562 -5.651 1.815 10.707 1.00 0.00 O ATOM 486 CB PRO A 562 -4.315 -1.031 11.490 1.00 0.00 C ATOM 487 CG PRO A 562 -5.439 -1.318 12.472 1.00 0.00 C ATOM 488 CD PRO A 562 -5.495 -0.169 13.466 1.00 0.00 C ATOM 0 HA PRO A 562 -2.872 0.572 11.630 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.635 -1.218 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.457 -1.676 11.679 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.389 -1.415 11.947 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.263 -2.261 12.989 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.486 0.284 13.493 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.272 -0.509 14.477 1.00 0.00 H new ATOM 496 N GLY A 563 -3.711 1.562 9.573 1.00 0.00 N ATOM 497 CA GLY A 563 -4.119 2.407 8.464 1.00 0.00 C ATOM 498 C GLY A 563 -5.548 2.082 8.024 1.00 0.00 C ATOM 499 O GLY A 563 -6.508 2.436 8.707 1.00 0.00 O ATOM 0 H GLY A 563 -2.774 1.168 9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.054 3.455 8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.436 2.268 7.626 1.00 0.00 H new ATOM 503 N VAL A 564 -5.644 1.411 6.885 1.00 0.00 N ATOM 504 CA VAL A 564 -6.939 1.034 6.345 1.00 0.00 C ATOM 505 C VAL A 564 -6.874 -0.407 5.835 1.00 0.00 C ATOM 506 O VAL A 564 -5.794 -0.918 5.544 1.00 0.00 O ATOM 507 CB VAL A 564 -7.367 2.032 5.267 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.891 2.147 5.201 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.723 3.400 5.499 1.00 0.00 C ATOM 0 H VAL A 564 -4.846 1.119 6.321 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.702 1.069 7.122 1.00 0.00 H new ATOM 0 HB VAL A 564 -7.017 1.657 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.169 2.863 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.320 1.173 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.272 2.488 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.044 4.090 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.028 3.785 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.638 3.301 5.472 1.00 0.00 H new ATOM 519 N LYS A 565 -8.044 -1.021 5.742 1.00 0.00 N ATOM 520 CA LYS A 565 -8.134 -2.393 5.272 1.00 0.00 C ATOM 521 C LYS A 565 -8.130 -2.404 3.742 1.00 0.00 C ATOM 522 O LYS A 565 -9.030 -1.852 3.111 1.00 0.00 O ATOM 523 CB LYS A 565 -9.346 -3.093 5.889 1.00 0.00 C ATOM 524 CG LYS A 565 -9.423 -4.554 5.442 1.00 0.00 C ATOM 525 CD LYS A 565 -9.479 -5.494 6.647 1.00 0.00 C ATOM 526 CE LYS A 565 -10.927 -5.776 7.056 1.00 0.00 C ATOM 527 NZ LYS A 565 -11.008 -6.076 8.503 1.00 0.00 N ATOM 0 H LYS A 565 -8.938 -0.594 5.984 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.265 -2.965 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.284 -3.045 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.258 -2.572 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.306 -4.702 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -8.556 -4.796 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -8.977 -6.431 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -8.941 -5.050 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.552 -4.914 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.316 -6.617 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -11.790 -6.739 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -10.115 -6.504 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -11.176 -5.196 9.031 1.00 0.00 H new ATOM 540 N MET A 566 -7.107 -3.040 3.189 1.00 0.00 N ATOM 541 CA MET A 566 -6.974 -3.131 1.745 1.00 0.00 C ATOM 542 C MET A 566 -8.345 -3.212 1.072 1.00 0.00 C ATOM 543 O MET A 566 -9.291 -3.751 1.645 1.00 0.00 O ATOM 544 CB MET A 566 -6.154 -4.371 1.385 1.00 0.00 C ATOM 545 CG MET A 566 -4.659 -4.048 1.342 1.00 0.00 C ATOM 546 SD MET A 566 -4.137 -3.800 -0.347 1.00 0.00 S ATOM 547 CE MET A 566 -2.592 -2.949 -0.072 1.00 0.00 C ATOM 0 H MET A 566 -6.363 -3.497 3.715 1.00 0.00 H new ATOM 0 HA MET A 566 -6.468 -2.234 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.338 -5.158 2.116 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.475 -4.754 0.416 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.455 -3.153 1.930 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.090 -4.861 1.792 1.00 0.00 H new ATOM 0 HE1 MET A 566 -1.991 -2.983 -0.981 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.791 -1.911 0.193 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.049 -3.433 0.740 1.00 0.00 H new ATOM 557 N GLN A 567 -8.410 -2.667 -0.134 1.00 0.00 N ATOM 558 CA GLN A 567 -9.650 -2.671 -0.891 1.00 0.00 C ATOM 559 C GLN A 567 -9.543 -3.626 -2.082 1.00 0.00 C ATOM 560 O GLN A 567 -8.790 -3.370 -3.020 1.00 0.00 O ATOM 561 CB GLN A 567 -10.016 -1.259 -1.352 1.00 0.00 C ATOM 562 CG GLN A 567 -11.212 -0.718 -0.567 1.00 0.00 C ATOM 563 CD GLN A 567 -12.008 0.286 -1.403 1.00 0.00 C ATOM 564 OE1 GLN A 567 -11.979 0.279 -2.622 1.00 0.00 O ATOM 565 NE2 GLN A 567 -12.719 1.148 -0.681 1.00 0.00 N ATOM 0 H GLN A 567 -7.624 -2.220 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.449 -3.023 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.160 -0.597 -1.220 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.250 -1.270 -2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.859 -1.543 -0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.864 -0.239 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -12.699 1.099 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -13.285 1.858 -1.146 1.00 0.00 H new ATOM 574 N ASP A 568 -10.306 -4.706 -2.004 1.00 0.00 N ATOM 575 CA ASP A 568 -10.306 -5.700 -3.064 1.00 0.00 C ATOM 576 C ASP A 568 -10.205 -4.995 -4.419 1.00 0.00 C ATOM 577 O ASP A 568 -10.722 -3.892 -4.588 1.00 0.00 O ATOM 578 CB ASP A 568 -11.598 -6.518 -3.052 1.00 0.00 C ATOM 579 CG ASP A 568 -12.672 -6.046 -4.034 1.00 0.00 C ATOM 580 OD1 ASP A 568 -13.177 -4.918 -3.935 1.00 0.00 O ATOM 581 OD2 ASP A 568 -12.993 -6.902 -4.944 1.00 0.00 O ATOM 0 H ASP A 568 -10.928 -4.915 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.457 -6.364 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -11.355 -7.557 -3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.014 -6.497 -2.045 1.00 0.00 H new ATOM 587 N ALA A 569 -9.537 -5.661 -5.348 1.00 0.00 N ATOM 588 CA ALA A 569 -9.362 -5.113 -6.682 1.00 0.00 C ATOM 589 C ALA A 569 -10.519 -5.570 -7.573 1.00 0.00 C ATOM 590 O ALA A 569 -11.647 -5.715 -7.105 1.00 0.00 O ATOM 591 CB ALA A 569 -7.999 -5.536 -7.234 1.00 0.00 C ATOM 0 H ALA A 569 -9.110 -6.576 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.378 -4.023 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.868 -5.125 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.210 -5.161 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.946 -6.624 -7.279 1.00 0.00 H new ATOM 597 N GLU A 570 -10.198 -5.785 -8.840 1.00 0.00 N ATOM 598 CA GLU A 570 -11.197 -6.223 -9.801 1.00 0.00 C ATOM 599 C GLU A 570 -10.686 -7.434 -10.583 1.00 0.00 C ATOM 600 O GLU A 570 -11.337 -7.891 -11.521 1.00 0.00 O ATOM 601 CB GLU A 570 -11.585 -5.084 -10.746 1.00 0.00 C ATOM 602 CG GLU A 570 -10.424 -4.721 -11.673 1.00 0.00 C ATOM 603 CD GLU A 570 -10.823 -3.606 -12.642 1.00 0.00 C ATOM 604 OE1 GLU A 570 -10.896 -2.435 -12.243 1.00 0.00 O ATOM 605 OE2 GLU A 570 -11.062 -3.992 -13.849 1.00 0.00 O ATOM 0 H GLU A 570 -9.261 -5.664 -9.224 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.093 -6.519 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.451 -5.378 -11.340 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.879 -4.209 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.567 -4.403 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.114 -5.602 -12.235 1.00 0.00 H new ATOM 613 N ILE A 571 -9.526 -7.920 -10.167 1.00 0.00 N ATOM 614 CA ILE A 571 -8.920 -9.070 -10.817 1.00 0.00 C ATOM 615 C ILE A 571 -9.605 -10.347 -10.326 1.00 0.00 C ATOM 616 O ILE A 571 -10.482 -10.884 -11.001 1.00 0.00 O ATOM 617 CB ILE A 571 -7.404 -9.066 -10.609 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.771 -7.811 -11.213 1.00 0.00 C ATOM 619 CG2 ILE A 571 -6.773 -10.348 -11.157 1.00 0.00 C ATOM 620 CD1 ILE A 571 -5.335 -7.629 -10.719 1.00 0.00 C ATOM 0 H ILE A 571 -8.989 -7.539 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.070 -9.021 -11.895 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.206 -9.042 -9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -6.779 -7.883 -12.301 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.364 -6.936 -10.947 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.695 -10.320 -10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.195 -11.210 -10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -6.979 -10.428 -12.224 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -4.909 -6.730 -11.164 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.333 -7.533 -9.633 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -4.738 -8.494 -11.008 1.00 0.00 H new ATOM 632 N SER A 572 -9.178 -10.797 -9.155 1.00 0.00 N ATOM 633 CA SER A 572 -9.739 -12.001 -8.567 1.00 0.00 C ATOM 634 C SER A 572 -8.872 -12.464 -7.394 1.00 0.00 C ATOM 635 O SER A 572 -7.836 -13.097 -7.596 1.00 0.00 O ATOM 636 CB SER A 572 -9.865 -13.116 -9.607 1.00 0.00 C ATOM 637 OG SER A 572 -11.220 -13.508 -9.808 1.00 0.00 O ATOM 0 H SER A 572 -8.450 -10.349 -8.598 1.00 0.00 H new ATOM 0 HA SER A 572 -10.739 -11.768 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 572 -9.441 -12.779 -10.553 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.282 -13.979 -9.286 1.00 0.00 H new ATOM 0 HG SER A 572 -11.679 -12.832 -10.349 1.00 0.00 H new ATOM 643 N GLY A 573 -9.325 -12.129 -6.196 1.00 0.00 N ATOM 644 CA GLY A 573 -8.603 -12.503 -4.991 1.00 0.00 C ATOM 645 C GLY A 573 -7.463 -11.522 -4.710 1.00 0.00 C ATOM 646 O GLY A 573 -6.638 -11.761 -3.829 1.00 0.00 O ATOM 0 H GLY A 573 -10.183 -11.602 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.288 -12.523 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.202 -13.511 -5.101 1.00 0.00 H new ATOM 650 N TYR A 574 -7.453 -10.440 -5.474 1.00 0.00 N ATOM 651 CA TYR A 574 -6.427 -9.423 -5.318 1.00 0.00 C ATOM 652 C TYR A 574 -6.982 -8.190 -4.602 1.00 0.00 C ATOM 653 O TYR A 574 -8.183 -7.929 -4.648 1.00 0.00 O ATOM 654 CB TYR A 574 -6.005 -9.029 -6.735 1.00 0.00 C ATOM 655 CG TYR A 574 -4.617 -9.533 -7.134 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.495 -8.807 -6.791 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.488 -10.714 -7.837 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.188 -9.282 -7.167 1.00 0.00 C ATOM 659 CE2 TYR A 574 -3.181 -11.189 -8.213 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.096 -10.449 -7.859 1.00 0.00 C ATOM 661 OH TYR A 574 -0.862 -10.897 -8.214 1.00 0.00 O ATOM 0 H TYR A 574 -8.139 -10.245 -6.203 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.596 -9.804 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.738 -9.417 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.024 -7.942 -6.820 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -3.597 -7.883 -6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -5.367 -11.282 -8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.301 -8.724 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -3.065 -12.111 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.949 -11.742 -8.702 1.00 0.00 H new ATOM 671 N ALA A 575 -6.081 -7.465 -3.956 1.00 0.00 N ATOM 672 CA ALA A 575 -6.466 -6.265 -3.232 1.00 0.00 C ATOM 673 C ALA A 575 -5.805 -5.048 -3.881 1.00 0.00 C ATOM 674 O ALA A 575 -4.780 -5.177 -4.550 1.00 0.00 O ATOM 675 CB ALA A 575 -6.087 -6.417 -1.757 1.00 0.00 C ATOM 0 H ALA A 575 -5.086 -7.685 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.545 -6.117 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.375 -5.518 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.605 -7.278 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -5.010 -6.564 -1.671 1.00 0.00 H new ATOM 681 N LYS A 576 -6.418 -3.894 -3.661 1.00 0.00 N ATOM 682 CA LYS A 576 -5.901 -2.655 -4.217 1.00 0.00 C ATOM 683 C LYS A 576 -6.324 -1.486 -3.325 1.00 0.00 C ATOM 684 O LYS A 576 -7.402 -1.511 -2.733 1.00 0.00 O ATOM 685 CB LYS A 576 -6.332 -2.502 -5.677 1.00 0.00 C ATOM 686 CG LYS A 576 -7.745 -1.924 -5.774 1.00 0.00 C ATOM 687 CD LYS A 576 -8.162 -1.736 -7.234 1.00 0.00 C ATOM 688 CE LYS A 576 -8.094 -0.262 -7.639 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.148 0.053 -8.629 1.00 0.00 N ATOM 0 H LYS A 576 -7.267 -3.791 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.811 -2.669 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.632 -1.850 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.297 -3.472 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.449 -2.589 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.787 -0.967 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.511 -2.325 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.176 -2.110 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.214 0.369 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.113 -0.039 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.087 1.057 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -9.016 -0.536 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.082 -0.140 -8.215 1.00 0.00 H new ATOM 702 N ILE A 577 -5.454 -0.489 -3.258 1.00 0.00 N ATOM 703 CA ILE A 577 -5.724 0.687 -2.448 1.00 0.00 C ATOM 704 C ILE A 577 -5.313 1.940 -3.224 1.00 0.00 C ATOM 705 O ILE A 577 -4.411 1.889 -4.059 1.00 0.00 O ATOM 706 CB ILE A 577 -5.051 0.562 -1.080 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.569 0.936 -1.162 1.00 0.00 C ATOM 708 CG2 ILE A 577 -5.257 -0.836 -0.493 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.216 2.005 -0.125 1.00 0.00 C ATOM 0 H ILE A 577 -4.561 -0.471 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.791 0.773 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.525 1.270 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -2.957 0.049 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.338 1.303 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.769 -0.898 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -6.324 -1.028 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.826 -1.579 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.158 2.253 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -3.813 2.899 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.426 1.625 0.875 1.00 0.00 H new ATOM 721 N THR A 578 -5.994 3.035 -2.920 1.00 0.00 N ATOM 722 CA THR A 578 -5.710 4.299 -3.578 1.00 0.00 C ATOM 723 C THR A 578 -5.500 5.405 -2.542 1.00 0.00 C ATOM 724 O THR A 578 -6.327 5.590 -1.650 1.00 0.00 O ATOM 725 CB THR A 578 -6.852 4.590 -4.554 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.122 3.329 -5.160 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.413 5.478 -5.721 1.00 0.00 C ATOM 0 H THR A 578 -6.741 3.073 -2.227 1.00 0.00 H new ATOM 0 HA THR A 578 -4.781 4.249 -4.146 1.00 0.00 H new ATOM 0 HB THR A 578 -7.671 5.071 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.852 3.426 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.261 5.654 -6.383 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.049 6.431 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.616 4.983 -6.275 1.00 0.00 H new ATOM 735 N VAL A 579 -4.389 6.110 -2.694 1.00 0.00 N ATOM 736 CA VAL A 579 -4.059 7.193 -1.782 1.00 0.00 C ATOM 737 C VAL A 579 -3.685 8.437 -2.589 1.00 0.00 C ATOM 738 O VAL A 579 -2.952 8.346 -3.573 1.00 0.00 O ATOM 739 CB VAL A 579 -2.955 6.749 -0.820 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.716 7.802 0.264 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.281 5.388 -0.201 1.00 0.00 C ATOM 0 H VAL A 579 -3.706 5.953 -3.435 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.921 7.452 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.034 6.644 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.927 7.462 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.417 8.741 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.634 7.954 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.480 5.096 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.219 5.454 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.377 4.643 -0.991 1.00 0.00 H new ATOM 751 N ASP A 580 -4.204 9.571 -2.142 1.00 0.00 N ATOM 752 CA ASP A 580 -3.933 10.833 -2.811 1.00 0.00 C ATOM 753 C ASP A 580 -2.555 11.344 -2.387 1.00 0.00 C ATOM 754 O ASP A 580 -2.103 11.073 -1.275 1.00 0.00 O ATOM 755 CB ASP A 580 -4.968 11.892 -2.428 1.00 0.00 C ATOM 756 CG ASP A 580 -4.832 13.226 -3.165 1.00 0.00 C ATOM 757 OD1 ASP A 580 -4.002 14.074 -2.804 1.00 0.00 O ATOM 758 OD2 ASP A 580 -5.633 13.381 -4.164 1.00 0.00 O ATOM 0 H ASP A 580 -4.811 9.643 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 580 -3.974 10.661 -3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -5.964 11.490 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -4.896 12.077 -1.356 1.00 0.00 H new ATOM 764 N ILE A 581 -1.925 12.074 -3.295 1.00 0.00 N ATOM 765 CA ILE A 581 -0.607 12.625 -3.030 1.00 0.00 C ATOM 766 C ILE A 581 -0.381 13.848 -3.921 1.00 0.00 C ATOM 767 O ILE A 581 0.638 13.944 -4.604 1.00 0.00 O ATOM 768 CB ILE A 581 0.467 11.546 -3.183 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.571 11.079 -4.636 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.214 10.381 -2.224 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.837 10.248 -4.855 1.00 0.00 C ATOM 0 H ILE A 581 -2.303 12.297 -4.216 1.00 0.00 H new ATOM 0 HA ILE A 581 -0.538 12.966 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 581 1.430 11.981 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.307 10.487 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.580 11.943 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.991 9.628 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.229 10.745 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.759 9.938 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.887 9.928 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.714 10.851 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.814 9.372 -4.207 1.00 0.00 H new ATOM 783 N GLY A 582 -1.348 14.752 -3.887 1.00 0.00 N ATOM 784 CA GLY A 582 -1.268 15.965 -4.684 1.00 0.00 C ATOM 785 C GLY A 582 0.183 16.427 -4.834 1.00 0.00 C ATOM 786 O GLY A 582 0.802 16.212 -5.875 1.00 0.00 O ATOM 0 H GLY A 582 -2.192 14.669 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -1.700 15.787 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -1.858 16.753 -4.215 1.00 0.00 H new ATOM 790 N SER A 583 0.683 17.053 -3.779 1.00 0.00 N ATOM 791 CA SER A 583 2.049 17.548 -3.781 1.00 0.00 C ATOM 792 C SER A 583 3.021 16.401 -3.497 1.00 0.00 C ATOM 793 O SER A 583 4.157 16.413 -3.968 1.00 0.00 O ATOM 794 CB SER A 583 2.232 18.665 -2.752 1.00 0.00 C ATOM 795 OG SER A 583 2.888 19.801 -3.308 1.00 0.00 O ATOM 0 H SER A 583 0.167 17.229 -2.917 1.00 0.00 H new ATOM 0 HA SER A 583 2.262 17.961 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 583 1.258 18.963 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 583 2.811 18.289 -1.908 1.00 0.00 H new ATOM 0 HG SER A 583 2.984 20.492 -2.620 1.00 0.00 H new ATOM 801 N ALA A 584 2.539 15.436 -2.727 1.00 0.00 N ATOM 802 CA ALA A 584 3.351 14.283 -2.374 1.00 0.00 C ATOM 803 C ALA A 584 3.748 13.536 -3.649 1.00 0.00 C ATOM 804 O ALA A 584 2.922 13.337 -4.539 1.00 0.00 O ATOM 805 CB ALA A 584 2.580 13.397 -1.394 1.00 0.00 C ATOM 0 H ALA A 584 1.596 15.429 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 584 4.269 14.596 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.189 12.532 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.347 13.966 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.654 13.060 -1.859 1.00 0.00 H new ATOM 811 N SER A 585 5.011 13.141 -3.696 1.00 0.00 N ATOM 812 CA SER A 585 5.528 12.419 -4.846 1.00 0.00 C ATOM 813 C SER A 585 5.939 11.004 -4.435 1.00 0.00 C ATOM 814 O SER A 585 6.358 10.207 -5.273 1.00 0.00 O ATOM 815 CB SER A 585 6.714 13.156 -5.472 1.00 0.00 C ATOM 816 OG SER A 585 7.867 13.119 -4.635 1.00 0.00 O ATOM 0 H SER A 585 5.693 13.307 -2.956 1.00 0.00 H new ATOM 0 HA SER A 585 4.738 12.357 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.952 12.707 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.437 14.193 -5.662 1.00 0.00 H new ATOM 0 HG SER A 585 8.603 13.598 -5.070 1.00 0.00 H new ATOM 822 N GLN A 586 5.804 10.734 -3.145 1.00 0.00 N ATOM 823 CA GLN A 586 6.156 9.429 -2.612 1.00 0.00 C ATOM 824 C GLN A 586 5.313 9.115 -1.375 1.00 0.00 C ATOM 825 O GLN A 586 5.095 9.983 -0.531 1.00 0.00 O ATOM 826 CB GLN A 586 7.650 9.353 -2.290 1.00 0.00 C ATOM 827 CG GLN A 586 8.433 8.752 -3.460 1.00 0.00 C ATOM 828 CD GLN A 586 9.915 8.604 -3.109 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.410 9.162 -2.143 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.593 7.824 -3.945 1.00 0.00 N ATOM 0 H GLN A 586 5.455 11.397 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 586 5.943 8.679 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.029 10.351 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.803 8.748 -1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.018 7.778 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.325 9.387 -4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.117 7.387 -4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.589 7.662 -3.797 1.00 0.00 H new ATOM 839 N LEU A 587 4.860 7.872 -1.307 1.00 0.00 N ATOM 840 CA LEU A 587 4.044 7.433 -0.187 1.00 0.00 C ATOM 841 C LEU A 587 4.482 6.030 0.237 1.00 0.00 C ATOM 842 O LEU A 587 4.681 5.156 -0.606 1.00 0.00 O ATOM 843 CB LEU A 587 2.558 7.535 -0.534 1.00 0.00 C ATOM 844 CG LEU A 587 1.590 7.524 0.651 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.216 8.057 0.241 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.502 6.129 1.274 1.00 0.00 C ATOM 0 H LEU A 587 5.042 7.155 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 587 4.192 8.087 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.399 8.454 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.302 6.707 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 587 1.980 8.194 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.453 8.039 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.316 9.081 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.195 7.432 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.808 6.149 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 587 1.148 5.419 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.488 5.825 1.625 1.00 0.00 H new ATOM 858 N GLU A 588 4.618 5.857 1.544 1.00 0.00 N ATOM 859 CA GLU A 588 5.028 4.574 2.090 1.00 0.00 C ATOM 860 C GLU A 588 3.814 3.812 2.625 1.00 0.00 C ATOM 861 O GLU A 588 2.875 4.417 3.140 1.00 0.00 O ATOM 862 CB GLU A 588 6.086 4.756 3.181 1.00 0.00 C ATOM 863 CG GLU A 588 5.551 5.621 4.325 1.00 0.00 C ATOM 864 CD GLU A 588 6.490 6.794 4.611 1.00 0.00 C ATOM 865 OE1 GLU A 588 7.112 6.843 5.683 1.00 0.00 O ATOM 866 OE2 GLU A 588 6.563 7.675 3.672 1.00 0.00 O ATOM 0 H GLU A 588 4.452 6.584 2.240 1.00 0.00 H new ATOM 0 HA GLU A 588 5.476 3.987 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.387 3.782 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 588 6.976 5.219 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.561 5.997 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.438 5.013 5.223 1.00 0.00 H new ATOM 874 N ALA A 589 3.873 2.496 2.484 1.00 0.00 N ATOM 875 CA ALA A 589 2.789 1.645 2.947 1.00 0.00 C ATOM 876 C ALA A 589 3.374 0.385 3.587 1.00 0.00 C ATOM 877 O ALA A 589 4.362 -0.162 3.099 1.00 0.00 O ATOM 878 CB ALA A 589 1.856 1.326 1.777 1.00 0.00 C ATOM 0 H ALA A 589 4.654 1.998 2.056 1.00 0.00 H new ATOM 0 HA ALA A 589 2.197 2.156 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.043 0.688 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.445 2.253 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.415 0.810 0.996 1.00 0.00 H new ATOM 884 N ALA A 590 2.740 -0.039 4.670 1.00 0.00 N ATOM 885 CA ALA A 590 3.185 -1.225 5.382 1.00 0.00 C ATOM 886 C ALA A 590 2.042 -2.239 5.440 1.00 0.00 C ATOM 887 O ALA A 590 0.882 -1.886 5.230 1.00 0.00 O ATOM 888 CB ALA A 590 3.683 -0.828 6.774 1.00 0.00 C ATOM 0 H ALA A 590 1.921 0.418 5.072 1.00 0.00 H new ATOM 0 HA ALA A 590 4.017 -1.696 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.017 -1.717 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.514 -0.129 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.873 -0.354 7.329 1.00 0.00 H new ATOM 894 N PHE A 591 2.408 -3.480 5.726 1.00 0.00 N ATOM 895 CA PHE A 591 1.427 -4.548 5.813 1.00 0.00 C ATOM 896 C PHE A 591 1.594 -5.341 7.111 1.00 0.00 C ATOM 897 O PHE A 591 2.689 -5.808 7.421 1.00 0.00 O ATOM 898 CB PHE A 591 1.673 -5.480 4.625 1.00 0.00 C ATOM 899 CG PHE A 591 1.689 -4.770 3.270 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.741 -3.980 2.928 1.00 0.00 C ATOM 901 CD2 PHE A 591 0.650 -4.930 2.407 1.00 0.00 C ATOM 902 CE1 PHE A 591 2.756 -3.321 1.671 1.00 0.00 C ATOM 903 CE2 PHE A 591 0.664 -4.271 1.149 1.00 0.00 C ATOM 904 CZ PHE A 591 1.717 -3.481 0.808 1.00 0.00 C ATOM 0 H PHE A 591 3.370 -3.770 5.900 1.00 0.00 H new ATOM 0 HA PHE A 591 0.420 -4.130 5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.626 -5.990 4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 591 0.899 -6.248 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 591 3.566 -3.854 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 591 -0.186 -5.558 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 591 3.592 -2.693 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 591 -0.161 -4.397 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 591 1.728 -2.980 -0.149 1.00 0.00 H new ATOM 914 N ASN A 592 0.492 -5.468 7.835 1.00 0.00 N ATOM 915 CA ASN A 592 0.503 -6.196 9.093 1.00 0.00 C ATOM 916 C ASN A 592 -0.870 -6.831 9.321 1.00 0.00 C ATOM 917 O ASN A 592 -1.898 -6.204 9.070 1.00 0.00 O ATOM 918 CB ASN A 592 0.793 -5.261 10.268 1.00 0.00 C ATOM 919 CG ASN A 592 -0.272 -4.167 10.374 1.00 0.00 C ATOM 920 OD1 ASN A 592 -1.123 -4.176 11.248 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.176 -3.227 9.438 1.00 0.00 N ATOM 0 H ASN A 592 -0.414 -5.079 7.575 1.00 0.00 H new ATOM 0 HA ASN A 592 1.283 -6.956 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.824 -5.834 11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.775 -4.806 10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -0.840 -2.453 9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.561 -3.280 8.735 1.00 0.00 H new ATOM 928 N ASP A 593 -0.844 -8.068 9.795 1.00 0.00 N ATOM 929 CA ASP A 593 -2.073 -8.795 10.061 1.00 0.00 C ATOM 930 C ASP A 593 -2.986 -7.940 10.941 1.00 0.00 C ATOM 931 O ASP A 593 -4.209 -8.012 10.828 1.00 0.00 O ATOM 932 CB ASP A 593 -1.791 -10.103 10.802 1.00 0.00 C ATOM 933 CG ASP A 593 -1.134 -9.940 12.174 1.00 0.00 C ATOM 934 OD1 ASP A 593 -0.621 -8.863 12.513 1.00 0.00 O ATOM 935 OD2 ASP A 593 -1.163 -10.992 12.921 1.00 0.00 O ATOM 0 H ASP A 593 0.010 -8.586 10.002 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.546 -9.018 9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.730 -10.642 10.927 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.148 -10.724 10.179 1.00 0.00 H new ATOM 941 N GLY A 594 -2.357 -7.150 11.799 1.00 0.00 N ATOM 942 CA GLY A 594 -3.098 -6.281 12.698 1.00 0.00 C ATOM 943 C GLY A 594 -2.896 -6.701 14.156 1.00 0.00 C ATOM 944 O GLY A 594 -3.561 -6.185 15.052 1.00 0.00 O ATOM 0 H GLY A 594 -1.343 -7.093 11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -2.771 -5.250 12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.159 -6.314 12.450 1.00 0.00 H new ATOM 948 N ASN A 595 -1.975 -7.634 14.347 1.00 0.00 N ATOM 949 CA ASN A 595 -1.677 -8.130 15.680 1.00 0.00 C ATOM 950 C ASN A 595 -0.183 -7.957 15.961 1.00 0.00 C ATOM 951 O ASN A 595 0.252 -6.891 16.393 1.00 0.00 O ATOM 952 CB ASN A 595 -2.012 -9.617 15.803 1.00 0.00 C ATOM 953 CG ASN A 595 -3.493 -9.820 16.129 1.00 0.00 C ATOM 954 OD1 ASN A 595 -4.113 -9.039 16.833 1.00 0.00 O ATOM 955 ND2 ASN A 595 -4.024 -10.909 15.581 1.00 0.00 N ATOM 0 H ASN A 595 -1.425 -8.060 13.601 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.279 -7.565 16.392 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -1.768 -10.127 14.871 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.399 -10.068 16.583 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -5.006 -11.133 15.740 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -3.449 -11.521 15.002 1.00 0.00 H new ATOM 962 N ASN A 596 0.562 -9.023 15.705 1.00 0.00 N ATOM 963 CA ASN A 596 1.998 -9.003 15.925 1.00 0.00 C ATOM 964 C ASN A 596 2.716 -9.306 14.608 1.00 0.00 C ATOM 965 O ASN A 596 3.945 -9.321 14.556 1.00 0.00 O ATOM 966 CB ASN A 596 2.414 -10.064 16.945 1.00 0.00 C ATOM 967 CG ASN A 596 3.589 -9.578 17.795 1.00 0.00 C ATOM 968 OD1 ASN A 596 4.652 -9.242 17.297 1.00 0.00 O ATOM 969 ND2 ASN A 596 3.341 -9.558 19.101 1.00 0.00 N ATOM 0 H ASN A 596 0.198 -9.906 15.347 1.00 0.00 H new ATOM 0 HA ASN A 596 2.267 -8.016 16.301 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.569 -10.304 17.590 1.00 0.00 H new ATOM 0 HB3 ASN A 596 2.691 -10.982 16.427 1.00 0.00 H new ATOM 0 HD21 ASN A 596 4.062 -9.248 19.752 1.00 0.00 H new ATOM 0 HD22 ASN A 596 2.430 -9.852 19.452 1.00 0.00 H new ATOM 976 N ASN A 597 1.918 -9.539 13.576 1.00 0.00 N ATOM 977 CA ASN A 597 2.462 -9.840 12.263 1.00 0.00 C ATOM 978 C ASN A 597 2.608 -8.543 11.466 1.00 0.00 C ATOM 979 O ASN A 597 1.669 -8.110 10.800 1.00 0.00 O ATOM 980 CB ASN A 597 1.532 -10.772 11.483 1.00 0.00 C ATOM 981 CG ASN A 597 2.334 -11.765 10.638 1.00 0.00 C ATOM 982 OD1 ASN A 597 2.841 -12.764 11.122 1.00 0.00 O ATOM 983 ND2 ASN A 597 2.419 -11.436 9.353 1.00 0.00 N ATOM 0 H ASN A 597 0.899 -9.525 13.623 1.00 0.00 H new ATOM 0 HA ASN A 597 3.428 -10.326 12.401 1.00 0.00 H new ATOM 0 HB2 ASN A 597 0.890 -11.315 12.177 1.00 0.00 H new ATOM 0 HB3 ASN A 597 0.879 -10.184 10.838 1.00 0.00 H new ATOM 0 HD21 ASN A 597 2.932 -12.035 8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 597 1.971 -10.585 9.014 1.00 0.00 H new ATOM 990 N TRP A 598 3.793 -7.958 11.560 1.00 0.00 N ATOM 991 CA TRP A 598 4.075 -6.719 10.856 1.00 0.00 C ATOM 992 C TRP A 598 5.201 -6.988 9.856 1.00 0.00 C ATOM 993 O TRP A 598 6.193 -7.634 10.191 1.00 0.00 O ATOM 994 CB TRP A 598 4.405 -5.593 11.839 1.00 0.00 C ATOM 995 CG TRP A 598 3.201 -5.094 12.640 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.585 -5.698 13.665 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.489 -3.855 12.440 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.532 -4.942 14.139 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.471 -3.786 13.370 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.697 -2.827 11.504 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.582 -2.707 13.454 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.800 -1.756 11.601 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.771 -1.671 12.531 1.00 0.00 C ATOM 0 H TRP A 598 4.570 -8.320 12.114 1.00 0.00 H new ATOM 0 HA TRP A 598 3.197 -6.379 10.307 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.170 -5.942 12.532 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.833 -4.756 11.287 1.00 0.00 H new ATOM 0 HD1 TRP A 598 2.876 -6.656 14.070 1.00 0.00 H new ATOM 0 HE1 TRP A 598 0.913 -5.187 14.912 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.487 -2.861 10.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -0.207 -2.676 14.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.916 -0.939 10.904 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.120 -0.810 12.542 1.00 0.00 H new ATOM 1014 N ASP A 599 5.009 -6.480 8.647 1.00 0.00 N ATOM 1015 CA ASP A 599 5.996 -6.658 7.596 1.00 0.00 C ATOM 1016 C ASP A 599 6.104 -5.368 6.780 1.00 0.00 C ATOM 1017 O ASP A 599 5.211 -5.048 5.998 1.00 0.00 O ATOM 1018 CB ASP A 599 5.591 -7.786 6.645 1.00 0.00 C ATOM 1019 CG ASP A 599 5.484 -9.169 7.291 1.00 0.00 C ATOM 1020 OD1 ASP A 599 4.397 -9.763 7.352 1.00 0.00 O ATOM 1021 OD2 ASP A 599 6.592 -9.644 7.750 1.00 0.00 O ATOM 0 H ASP A 599 4.185 -5.945 8.372 1.00 0.00 H new ATOM 0 HA ASP A 599 6.948 -6.907 8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.629 -7.535 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.317 -7.836 5.834 1.00 0.00 H new ATOM 1101 N ASN A 605 9.899 1.336 5.679 1.00 0.00 N ATOM 1102 CA ASN A 605 8.961 0.929 4.647 1.00 0.00 C ATOM 1103 C ASN A 605 9.529 1.298 3.275 1.00 0.00 C ATOM 1104 O ASN A 605 10.702 1.651 3.158 1.00 0.00 O ATOM 1105 CB ASN A 605 7.618 1.644 4.811 1.00 0.00 C ATOM 1106 CG ASN A 605 6.670 0.833 5.696 1.00 0.00 C ATOM 1107 OD1 ASN A 605 6.121 -0.180 5.297 1.00 0.00 O ATOM 1108 ND2 ASN A 605 6.509 1.335 6.917 1.00 0.00 N ATOM 0 HA ASN A 605 8.809 -0.147 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 605 7.778 2.629 5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.163 1.801 3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 605 5.895 0.867 7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 605 6.999 2.188 7.187 1.00 0.00 H new ATOM 1115 N TYR A 606 8.670 1.204 2.270 1.00 0.00 N ATOM 1116 CA TYR A 606 9.071 1.523 0.910 1.00 0.00 C ATOM 1117 C TYR A 606 8.444 2.840 0.448 1.00 0.00 C ATOM 1118 O TYR A 606 7.481 3.317 1.047 1.00 0.00 O ATOM 1119 CB TYR A 606 8.541 0.385 0.036 1.00 0.00 C ATOM 1120 CG TYR A 606 9.163 -0.979 0.345 1.00 0.00 C ATOM 1121 CD1 TYR A 606 8.596 -1.794 1.303 1.00 0.00 C ATOM 1122 CD2 TYR A 606 10.291 -1.393 -0.334 1.00 0.00 C ATOM 1123 CE1 TYR A 606 9.181 -3.078 1.594 1.00 0.00 C ATOM 1124 CE2 TYR A 606 10.876 -2.676 -0.043 1.00 0.00 C ATOM 1125 CZ TYR A 606 10.292 -3.455 0.907 1.00 0.00 C ATOM 1126 OH TYR A 606 10.845 -4.667 1.182 1.00 0.00 O ATOM 0 H TYR A 606 7.698 0.911 2.371 1.00 0.00 H new ATOM 0 HA TYR A 606 10.154 1.631 0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.460 0.317 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.725 0.628 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 606 7.714 -1.469 1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 606 10.735 -0.755 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 606 8.747 -3.726 2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 606 11.758 -3.012 -0.567 1.00 0.00 H new ATOM 0 HH TYR A 606 11.632 -4.804 0.615 1.00 0.00 H new ATOM 1136 N LEU A 607 9.015 3.390 -0.613 1.00 0.00 N ATOM 1137 CA LEU A 607 8.524 4.642 -1.162 1.00 0.00 C ATOM 1138 C LEU A 607 7.970 4.396 -2.567 1.00 0.00 C ATOM 1139 O LEU A 607 8.695 3.946 -3.454 1.00 0.00 O ATOM 1140 CB LEU A 607 9.614 5.714 -1.110 1.00 0.00 C ATOM 1141 CG LEU A 607 10.315 5.893 0.238 1.00 0.00 C ATOM 1142 CD1 LEU A 607 11.767 5.416 0.168 1.00 0.00 C ATOM 1143 CD2 LEU A 607 10.210 7.340 0.723 1.00 0.00 C ATOM 0 H LEU A 607 9.813 2.991 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 607 7.702 5.026 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.368 5.474 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.172 6.668 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 607 9.806 5.270 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 607 12.243 5.554 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.790 4.360 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 607 12.304 5.994 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 607 10.716 7.440 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.678 8.003 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 607 9.160 7.610 0.837 1.00 0.00 H new ATOM 1155 N PHE A 608 6.691 4.701 -2.727 1.00 0.00 N ATOM 1156 CA PHE A 608 6.032 4.518 -4.009 1.00 0.00 C ATOM 1157 C PHE A 608 5.417 5.829 -4.502 1.00 0.00 C ATOM 1158 O PHE A 608 4.967 6.647 -3.701 1.00 0.00 O ATOM 1159 CB PHE A 608 4.916 3.493 -3.796 1.00 0.00 C ATOM 1160 CG PHE A 608 5.362 2.231 -3.055 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.593 1.703 -3.292 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.528 1.637 -2.160 1.00 0.00 C ATOM 1163 CE1 PHE A 608 7.008 0.532 -2.604 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.943 0.466 -1.473 1.00 0.00 C ATOM 1165 CZ PHE A 608 6.174 -0.062 -1.709 1.00 0.00 C ATOM 0 H PHE A 608 6.093 5.074 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 608 6.754 4.184 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.107 3.963 -3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.509 3.207 -4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 608 7.255 2.174 -4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.550 2.056 -1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.986 0.113 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.281 -0.006 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.489 -0.953 -1.186 1.00 0.00 H new ATOM 1175 N SER A 609 5.419 5.989 -5.817 1.00 0.00 N ATOM 1176 CA SER A 609 4.867 7.188 -6.426 1.00 0.00 C ATOM 1177 C SER A 609 3.590 6.843 -7.195 1.00 0.00 C ATOM 1178 O SER A 609 3.260 5.670 -7.363 1.00 0.00 O ATOM 1179 CB SER A 609 5.884 7.851 -7.356 1.00 0.00 C ATOM 1180 OG SER A 609 5.423 9.109 -7.841 1.00 0.00 O ATOM 0 H SER A 609 5.794 5.309 -6.478 1.00 0.00 H new ATOM 0 HA SER A 609 4.626 7.895 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.825 7.990 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.089 7.191 -8.199 1.00 0.00 H new ATOM 0 HG SER A 609 5.574 9.797 -7.160 1.00 0.00 H new ATOM 1186 N THR A 610 2.907 7.887 -7.642 1.00 0.00 N ATOM 1187 CA THR A 610 1.673 7.709 -8.389 1.00 0.00 C ATOM 1188 C THR A 610 1.830 6.588 -9.418 1.00 0.00 C ATOM 1189 O THR A 610 2.945 6.153 -9.702 1.00 0.00 O ATOM 1190 CB THR A 610 1.299 9.056 -9.010 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.457 9.431 -9.751 1.00 0.00 O ATOM 1192 CG2 THR A 610 1.152 10.163 -7.964 1.00 0.00 C ATOM 0 H THR A 610 3.184 8.858 -7.501 1.00 0.00 H new ATOM 0 HA THR A 610 0.857 7.397 -7.737 1.00 0.00 H new ATOM 0 HB THR A 610 0.366 8.953 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 610 2.300 10.294 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.886 11.097 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.370 9.892 -7.255 1.00 0.00 H new ATOM 0 HG23 THR A 610 2.095 10.289 -7.433 1.00 0.00 H new ATOM 1200 N GLY A 611 0.697 6.153 -9.949 1.00 0.00 N ATOM 1201 CA GLY A 611 0.694 5.091 -10.940 1.00 0.00 C ATOM 1202 C GLY A 611 0.201 3.775 -10.334 1.00 0.00 C ATOM 1203 O GLY A 611 -0.388 3.768 -9.254 1.00 0.00 O ATOM 0 H GLY A 611 -0.226 6.517 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.055 5.372 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.700 4.958 -11.338 1.00 0.00 H new ATOM 1207 N THR A 612 0.459 2.694 -11.055 1.00 0.00 N ATOM 1208 CA THR A 612 0.049 1.376 -10.601 1.00 0.00 C ATOM 1209 C THR A 612 1.248 0.608 -10.043 1.00 0.00 C ATOM 1210 O THR A 612 2.307 0.563 -10.666 1.00 0.00 O ATOM 1211 CB THR A 612 -0.637 0.666 -11.770 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.557 1.632 -12.272 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.526 -0.492 -11.312 1.00 0.00 C ATOM 0 H THR A 612 0.947 2.704 -11.951 1.00 0.00 H new ATOM 0 HA THR A 612 -0.664 1.444 -9.780 1.00 0.00 H new ATOM 0 HB THR A 612 0.119 0.292 -12.461 1.00 0.00 H new ATOM 0 HG1 THR A 612 -2.044 1.255 -13.034 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.989 -0.961 -12.180 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.921 -1.227 -10.782 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.303 -0.114 -10.647 1.00 0.00 H new ATOM 1221 N SER A 613 1.040 0.021 -8.873 1.00 0.00 N ATOM 1222 CA SER A 613 2.091 -0.744 -8.223 1.00 0.00 C ATOM 1223 C SER A 613 1.505 -2.012 -7.598 1.00 0.00 C ATOM 1224 O SER A 613 0.310 -2.073 -7.314 1.00 0.00 O ATOM 1225 CB SER A 613 2.803 0.092 -7.158 1.00 0.00 C ATOM 1226 OG SER A 613 3.220 1.357 -7.663 1.00 0.00 O ATOM 0 H SER A 613 0.160 0.060 -8.359 1.00 0.00 H new ATOM 0 HA SER A 613 2.826 -1.024 -8.977 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.136 0.243 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.671 -0.455 -6.788 1.00 0.00 H new ATOM 0 HG SER A 613 3.669 1.861 -6.952 1.00 0.00 H new ATOM 1232 N THR A 614 2.374 -2.993 -7.403 1.00 0.00 N ATOM 1233 CA THR A 614 1.958 -4.256 -6.817 1.00 0.00 C ATOM 1234 C THR A 614 2.940 -4.687 -5.726 1.00 0.00 C ATOM 1235 O THR A 614 4.102 -4.973 -6.009 1.00 0.00 O ATOM 1236 CB THR A 614 1.818 -5.278 -7.947 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.115 -4.574 -8.967 1.00 0.00 O ATOM 1238 CG2 THR A 614 0.883 -6.432 -7.579 1.00 0.00 C ATOM 0 H THR A 614 3.364 -2.939 -7.640 1.00 0.00 H new ATOM 0 HA THR A 614 0.991 -4.163 -6.322 1.00 0.00 H new ATOM 0 HB THR A 614 2.801 -5.674 -8.202 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.108 -5.109 -9.788 1.00 0.00 H new ATOM 0 HG21 THR A 614 0.818 -7.129 -8.415 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.273 -6.951 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 614 -0.109 -6.040 -7.356 1.00 0.00 H new ATOM 1246 N TYR A 615 2.437 -4.719 -4.500 1.00 0.00 N ATOM 1247 CA TYR A 615 3.255 -5.111 -3.365 1.00 0.00 C ATOM 1248 C TYR A 615 3.053 -6.589 -3.027 1.00 0.00 C ATOM 1249 O TYR A 615 1.950 -7.004 -2.674 1.00 0.00 O ATOM 1250 CB TYR A 615 2.776 -4.260 -2.187 1.00 0.00 C ATOM 1251 CG TYR A 615 3.741 -4.242 -1.000 1.00 0.00 C ATOM 1252 CD1 TYR A 615 3.670 -5.229 -0.038 1.00 0.00 C ATOM 1253 CD2 TYR A 615 4.683 -3.239 -0.891 1.00 0.00 C ATOM 1254 CE1 TYR A 615 4.579 -5.212 1.079 1.00 0.00 C ATOM 1255 CE2 TYR A 615 5.591 -3.222 0.226 1.00 0.00 C ATOM 1256 CZ TYR A 615 5.494 -4.210 1.156 1.00 0.00 C ATOM 1257 OH TYR A 615 6.352 -4.194 2.212 1.00 0.00 O ATOM 0 H TYR A 615 1.473 -4.480 -4.268 1.00 0.00 H new ATOM 0 HA TYR A 615 4.312 -4.964 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 615 2.620 -3.237 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.809 -4.635 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 615 2.933 -6.014 -0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 615 4.739 -2.467 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 615 4.535 -5.978 1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 615 6.332 -2.443 0.323 1.00 0.00 H new ATOM 0 HH TYR A 615 7.128 -3.636 1.995 1.00 0.00 H new ATOM 1267 N THR A 616 4.135 -7.344 -3.148 1.00 0.00 N ATOM 1268 CA THR A 616 4.090 -8.768 -2.860 1.00 0.00 C ATOM 1269 C THR A 616 4.979 -9.097 -1.659 1.00 0.00 C ATOM 1270 O THR A 616 6.192 -8.900 -1.708 1.00 0.00 O ATOM 1271 CB THR A 616 4.484 -9.521 -4.132 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.463 -9.181 -5.067 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.358 -11.038 -3.978 1.00 0.00 C ATOM 0 H THR A 616 5.048 -6.997 -3.441 1.00 0.00 H new ATOM 0 HA THR A 616 3.085 -9.083 -2.577 1.00 0.00 H new ATOM 0 HB THR A 616 5.510 -9.268 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.641 -9.626 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.650 -11.524 -4.909 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.009 -11.377 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.325 -11.295 -3.743 1.00 0.00 H new ATOM 1281 N PRO A 617 4.324 -9.606 -0.582 1.00 0.00 N ATOM 1282 CA PRO A 617 5.041 -9.965 0.630 1.00 0.00 C ATOM 1283 C PRO A 617 5.817 -11.270 0.441 1.00 0.00 C ATOM 1284 O PRO A 617 5.497 -12.065 -0.441 1.00 0.00 O ATOM 1285 CB PRO A 617 3.973 -10.060 1.707 1.00 0.00 C ATOM 1286 CG PRO A 617 2.651 -10.208 0.971 1.00 0.00 C ATOM 1287 CD PRO A 617 2.888 -9.853 -0.488 1.00 0.00 C ATOM 0 HA PRO A 617 5.798 -9.230 0.904 1.00 0.00 H new ATOM 0 HB2 PRO A 617 4.153 -10.913 2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.972 -9.170 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.277 -11.228 1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.896 -9.552 1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.582 -10.665 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.315 -8.973 -0.779 1.00 0.00 H new ATOM 1361 N THR A 625 8.878 -7.570 -2.512 1.00 0.00 N ATOM 1362 CA THR A 625 9.185 -6.607 -3.556 1.00 0.00 C ATOM 1363 C THR A 625 7.896 -6.017 -4.132 1.00 0.00 C ATOM 1364 O THR A 625 6.817 -6.581 -3.954 1.00 0.00 O ATOM 1365 CB THR A 625 10.055 -7.305 -4.603 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.372 -8.529 -4.861 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.408 -7.744 -4.041 1.00 0.00 C ATOM 0 HA THR A 625 9.745 -5.760 -3.160 1.00 0.00 H new ATOM 0 HB THR A 625 10.214 -6.636 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 625 8.787 -8.743 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.986 -8.234 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.952 -6.871 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.251 -8.440 -3.217 1.00 0.00 H new ATOM 1375 N ILE A 626 8.050 -4.890 -4.812 1.00 0.00 N ATOM 1376 CA ILE A 626 6.912 -4.218 -5.415 1.00 0.00 C ATOM 1377 C ILE A 626 7.135 -4.103 -6.925 1.00 0.00 C ATOM 1378 O ILE A 626 8.178 -3.622 -7.367 1.00 0.00 O ATOM 1379 CB ILE A 626 6.656 -2.876 -4.727 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.257 -2.858 -3.320 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.163 -2.541 -4.717 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.663 -2.255 -3.332 1.00 0.00 C ATOM 0 H ILE A 626 8.946 -4.425 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 626 6.003 -4.802 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 626 7.157 -2.097 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.616 -2.281 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.296 -3.873 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 626 5.009 -1.582 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.796 -2.484 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.619 -3.318 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 626 9.067 -2.254 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.308 -2.849 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.617 -1.232 -3.705 1.00 0.00 H new ATOM 1394 N ARG A 627 6.139 -4.551 -7.674 1.00 0.00 N ATOM 1395 CA ARG A 627 6.213 -4.504 -9.124 1.00 0.00 C ATOM 1396 C ARG A 627 5.250 -3.449 -9.671 1.00 0.00 C ATOM 1397 O ARG A 627 4.054 -3.487 -9.384 1.00 0.00 O ATOM 1398 CB ARG A 627 5.872 -5.864 -9.738 1.00 0.00 C ATOM 1399 CG ARG A 627 7.066 -6.434 -10.506 1.00 0.00 C ATOM 1400 CD ARG A 627 6.887 -6.248 -12.014 1.00 0.00 C ATOM 1401 NE ARG A 627 6.909 -7.564 -12.692 1.00 0.00 N ATOM 1402 CZ ARG A 627 6.921 -7.724 -14.032 1.00 0.00 C ATOM 1403 NH1 ARG A 627 6.912 -6.651 -14.851 1.00 0.00 N ATOM 1404 NH2 ARG A 627 6.940 -8.946 -14.530 1.00 0.00 N ATOM 0 H ARG A 627 5.276 -4.949 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 627 7.236 -4.242 -9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 627 5.576 -6.558 -8.951 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.019 -5.760 -10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 627 7.982 -5.940 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.178 -7.494 -10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 627 5.944 -5.741 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.681 -5.614 -12.407 1.00 0.00 H new ATOM 0 HE ARG A 627 6.915 -8.402 -12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 627 6.896 -5.710 -14.458 1.00 0.00 H new ATOM 0 HH12 ARG A 627 6.921 -6.781 -15.863 1.00 0.00 H new ATOM 0 HH21 ARG A 627 6.945 -9.752 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 627 6.949 -9.085 -15.540 1.00 0.00 H new ATOM 1417 N THR A 628 5.806 -2.532 -10.449 1.00 0.00 N ATOM 1418 CA THR A 628 5.011 -1.469 -11.039 1.00 0.00 C ATOM 1419 C THR A 628 4.191 -2.004 -12.214 1.00 0.00 C ATOM 1420 O THR A 628 4.621 -2.926 -12.907 1.00 0.00 O ATOM 1421 CB THR A 628 5.957 -0.331 -11.427 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.218 -0.732 -10.898 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.641 0.971 -10.687 1.00 0.00 C ATOM 0 H THR A 628 6.798 -2.503 -10.684 1.00 0.00 H new ATOM 0 HA THR A 628 4.283 -1.079 -10.327 1.00 0.00 H new ATOM 0 HB THR A 628 5.899 -0.162 -12.502 1.00 0.00 H new ATOM 0 HG1 THR A 628 7.891 -0.051 -11.106 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.341 1.746 -10.999 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.624 1.285 -10.922 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.732 0.810 -9.613 1.00 0.00 H new ATOM 1431 N GLY A 629 3.025 -1.404 -12.403 1.00 0.00 N ATOM 1432 CA GLY A 629 2.141 -1.810 -13.483 1.00 0.00 C ATOM 1433 C GLY A 629 0.956 -2.616 -12.947 1.00 0.00 C ATOM 1434 O GLY A 629 1.105 -3.395 -12.007 1.00 0.00 O ATOM 0 H GLY A 629 2.672 -0.640 -11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 629 1.777 -0.929 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 629 2.695 -2.408 -14.206 1.00 0.00 H new ATOM 1438 N ALA A 630 -0.193 -2.402 -13.570 1.00 0.00 N ATOM 1439 CA ALA A 630 -1.403 -3.099 -13.168 1.00 0.00 C ATOM 1440 C ALA A 630 -1.184 -4.608 -13.297 1.00 0.00 C ATOM 1441 O ALA A 630 -0.898 -5.107 -14.385 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.581 -2.607 -14.012 1.00 0.00 C ATOM 0 H ALA A 630 -0.312 -1.756 -14.350 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.639 -2.888 -12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -3.488 -3.130 -13.710 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.713 -1.535 -13.863 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.382 -2.805 -15.065 1.00 0.00 H new ATOM 1448 N PRO A 631 -1.330 -5.311 -12.142 1.00 0.00 N ATOM 1449 CA PRO A 631 -1.152 -6.753 -12.116 1.00 0.00 C ATOM 1450 C PRO A 631 -2.352 -7.465 -12.742 1.00 0.00 C ATOM 1451 O PRO A 631 -3.423 -6.877 -12.884 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.955 -7.098 -10.649 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.491 -5.911 -9.866 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.668 -4.754 -10.836 1.00 0.00 C ATOM 0 HA PRO A 631 -0.298 -7.082 -12.707 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.489 -8.012 -10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.098 -7.269 -10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.441 -6.162 -9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.801 -5.638 -9.068 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.690 -4.376 -10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -1.015 -3.919 -10.580 1.00 0.00 H new ATOM 1462 N SER A 632 -2.133 -8.722 -13.100 1.00 0.00 N ATOM 1463 CA SER A 632 -3.183 -9.521 -13.708 1.00 0.00 C ATOM 1464 C SER A 632 -3.930 -8.694 -14.756 1.00 0.00 C ATOM 1465 O SER A 632 -5.083 -8.982 -15.073 1.00 0.00 O ATOM 1466 CB SER A 632 -4.159 -10.044 -12.651 1.00 0.00 C ATOM 1467 OG SER A 632 -4.374 -11.448 -12.771 1.00 0.00 O ATOM 0 H SER A 632 -1.243 -9.207 -12.980 1.00 0.00 H new ATOM 0 HA SER A 632 -2.721 -10.380 -14.194 1.00 0.00 H new ATOM 0 HB2 SER A 632 -3.771 -9.820 -11.657 1.00 0.00 H new ATOM 0 HB3 SER A 632 -5.111 -9.522 -12.747 1.00 0.00 H new ATOM 0 HG SER A 632 -4.411 -11.851 -11.878 1.00 0.00 H new