USER MOD reduce.3.24.130724 H: found=0, std=0, add=1088, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1080 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 634 LYS NZ :NH3+ -99:sc= -1.31 (180deg=-1.99!) USER MOD Set 1.2: A 637 SER OG : rot -43:sc= -0.223 USER MOD Set 2.1: A 588 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 622 GLN : amide:sc= -4.07 K(o=-4.1,f=-13!) USER MOD Set 3.1: A 581 ASN :FLIP amide:sc= -1.58! C(o=-3.9!,f=-1.5!) USER MOD Set 3.2: A 583 ASN : amide:sc= 0.0354 K(o=-1.5,f=-3.4!) USER MOD Set 4.1: A 553 GLN :FLIP amide:sc= -0.279 F(o=-1.4!,f=-0.66) USER MOD Set 4.2: A 565 HIS :FLIP no HD1:sc= -0.376 F(o=-1.9,f=-0.66) USER MOD Single : A 544 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.5) USER MOD Single : A 545 MET CE :methyl 155:sc= -0.175 (180deg=-0.901) USER MOD Single : A 546 GLN : amide:sc= 0.0923 X(o=0.092,f=0) USER MOD Single : A 551 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.86) USER MOD Single : A 558 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.3!) USER MOD Single : A 560 MET CE :methyl 154:sc= -0.277 (180deg=-1.53) USER MOD Single : A 567 SER OG : rot 180:sc= 0 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 576 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-2.8!) USER MOD Single : A 577 HIS : no HE2:sc= -23.5! C(o=-23!,f=-25!) USER MOD Single : A 579 ASN :FLIP amide:sc= -0.206 F(o=-3.9,f=-0.21) USER MOD Single : A 585 SER OG : rot -73:sc= 0.926 USER MOD Single : A 586 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 587 TYR OH : rot -75:sc= 0.21 USER MOD Single : A 589 ASN :FLIP amide:sc= -0.255 F(o=-1.2,f=-0.25) USER MOD Single : A 591 SER OG : rot -90:sc= 0.113 USER MOD Single : A 598 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.6) USER MOD Single : A 599 LYS NZ :NH3+ -171:sc= 0.161! (180deg=-0.218!) USER MOD Single : A 602 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.114) USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 614 ASN :FLIP amide:sc= -2.88 F(o=-4.7!,f=-2.9) USER MOD Single : A 623 MET CE :methyl 162:sc= -0.402 (180deg=-1.32) USER MOD Single : A 625 TYR OH : rot -161:sc= 1.45 USER MOD Single : A 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -83:sc= 0.6 USER MOD Single : A 629 LYS NZ :NH3+ -160:sc= -0.015 (180deg=-0.224) USER MOD Single : A 638 MET CE :methyl -154:sc= -10.8! (180deg=-11.7!) USER MOD Single : A 642 THR OG1 : rot -91:sc= 1.09 USER MOD Single : A 644 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 648 GLN : amide:sc= -6.48! C(o=-6.5!,f=-7.1!) USER MOD Single : A 650 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.106) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 666 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 667 HIS :FLIP no HE2:sc= -5.37! C(o=-8.2!,f=-5.4!) USER MOD Single : A 668 CYS SG : rot 180:sc= -0.593 USER MOD Single : A 671 ASN : amide:sc= -3.3! C(o=-3.3!,f=-3.1!) USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 676 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 542 3.405 3.482 -1.439 1.00 53.54 N ATOM 2 CA GLY A 542 4.356 2.743 -2.252 1.00 10.22 C ATOM 3 C GLY A 542 4.220 1.237 -2.021 1.00 71.20 C ATOM 4 O GLY A 542 3.565 0.807 -1.073 1.00 13.00 O ATOM 0 HA2 GLY A 542 4.192 2.969 -3.306 1.00 10.22 H new ATOM 0 HA3 GLY A 542 5.370 3.061 -2.011 1.00 10.22 H new ATOM 8 N PRO A 543 4.866 0.456 -2.928 1.00 23.24 N ATOM 9 CA PRO A 543 4.824 -0.993 -2.832 1.00 72.41 C ATOM 10 C PRO A 543 5.727 -1.495 -1.704 1.00 21.42 C ATOM 11 O PRO A 543 6.923 -1.206 -1.686 1.00 34.43 O ATOM 12 CB PRO A 543 5.253 -1.491 -4.203 1.00 3.33 C ATOM 13 CG PRO A 543 5.964 -0.322 -4.866 1.00 60.32 C ATOM 14 CD PRO A 543 5.652 0.930 -4.063 1.00 71.12 C ATOM 0 HA PRO A 543 3.833 -1.369 -2.579 1.00 72.41 H new ATOM 0 HB2 PRO A 543 5.915 -2.353 -4.116 1.00 3.33 H new ATOM 0 HB3 PRO A 543 4.392 -1.809 -4.791 1.00 3.33 H new ATOM 0 HG2 PRO A 543 7.039 -0.497 -4.897 1.00 60.32 H new ATOM 0 HG3 PRO A 543 5.630 -0.207 -5.897 1.00 60.32 H new ATOM 0 HD2 PRO A 543 6.565 1.426 -3.733 1.00 71.12 H new ATOM 0 HD3 PRO A 543 5.093 1.653 -4.658 1.00 71.12 H new ATOM 22 N HIS A 544 5.121 -2.239 -0.790 1.00 12.31 N ATOM 23 CA HIS A 544 5.855 -2.784 0.339 1.00 4.31 C ATOM 24 C HIS A 544 5.867 -4.311 0.255 1.00 74.42 C ATOM 25 O HIS A 544 6.927 -4.932 0.307 1.00 4.15 O ATOM 26 CB HIS A 544 5.283 -2.267 1.660 1.00 33.04 C ATOM 27 CG HIS A 544 4.815 -0.832 1.608 1.00 62.04 C ATOM 28 ND1 HIS A 544 3.513 -0.457 1.890 1.00 4.24 N ATOM 29 CD2 HIS A 544 5.489 0.314 1.303 1.00 10.22 C ATOM 30 CE1 HIS A 544 3.419 0.858 1.758 1.00 1.11 C ATOM 31 NE2 HIS A 544 4.644 1.334 1.394 1.00 43.04 N ATOM 0 H HIS A 544 4.129 -2.477 -0.809 1.00 12.31 H new ATOM 0 HA HIS A 544 6.890 -2.445 0.301 1.00 4.31 H new ATOM 0 HB2 HIS A 544 4.446 -2.901 1.954 1.00 33.04 H new ATOM 0 HB3 HIS A 544 6.043 -2.362 2.435 1.00 33.04 H new ATOM 0 HD2 HIS A 544 6.533 0.380 1.033 1.00 10.22 H new ATOM 0 HE1 HIS A 544 2.528 1.449 1.912 1.00 1.11 H new ATOM 0 HE2 HIS A 544 4.873 2.313 1.220 1.00 43.04 H new ATOM 39 N MET A 545 4.674 -4.874 0.125 1.00 11.43 N ATOM 40 CA MET A 545 4.533 -6.317 0.033 1.00 11.21 C ATOM 41 C MET A 545 5.345 -7.018 1.124 1.00 14.14 C ATOM 42 O MET A 545 6.106 -7.941 0.840 1.00 5.31 O ATOM 43 CB MET A 545 5.010 -6.790 -1.342 1.00 12.25 C ATOM 44 CG MET A 545 3.957 -6.505 -2.415 1.00 21.32 C ATOM 45 SD MET A 545 4.328 -7.431 -3.895 1.00 25.31 S ATOM 46 CE MET A 545 3.938 -9.080 -3.335 1.00 35.50 C ATOM 0 H MET A 545 3.796 -4.356 0.081 1.00 11.43 H new ATOM 0 HA MET A 545 3.482 -6.570 0.170 1.00 11.21 H new ATOM 0 HB2 MET A 545 5.943 -6.288 -1.600 1.00 12.25 H new ATOM 0 HB3 MET A 545 5.222 -7.859 -1.310 1.00 12.25 H new ATOM 0 HG2 MET A 545 2.967 -6.775 -2.046 1.00 21.32 H new ATOM 0 HG3 MET A 545 3.934 -5.439 -2.639 1.00 21.32 H new ATOM 0 HE1 MET A 545 3.681 -9.704 -4.191 1.00 35.50 H new ATOM 0 HE2 MET A 545 4.802 -9.504 -2.823 1.00 35.50 H new ATOM 0 HE3 MET A 545 3.092 -9.041 -2.648 1.00 35.50 H new ATOM 56 N GLN A 546 5.154 -6.553 2.350 1.00 14.12 N ATOM 57 CA GLN A 546 5.858 -7.124 3.485 1.00 4.24 C ATOM 58 C GLN A 546 4.885 -7.389 4.636 1.00 62.12 C ATOM 59 O GLN A 546 4.055 -6.541 4.959 1.00 73.20 O ATOM 60 CB GLN A 546 7.003 -6.213 3.934 1.00 31.25 C ATOM 61 CG GLN A 546 8.252 -6.441 3.081 1.00 41.01 C ATOM 62 CD GLN A 546 9.218 -5.260 3.197 1.00 23.32 C ATOM 63 OE1 GLN A 546 10.284 -5.352 3.785 1.00 73.34 O ATOM 64 NE2 GLN A 546 8.788 -4.149 2.606 1.00 24.12 N ATOM 0 H GLN A 546 4.522 -5.787 2.582 1.00 14.12 H new ATOM 0 HA GLN A 546 6.292 -8.075 3.177 1.00 4.24 H new ATOM 0 HB2 GLN A 546 6.693 -5.171 3.860 1.00 31.25 H new ATOM 0 HB3 GLN A 546 7.234 -6.403 4.982 1.00 31.25 H new ATOM 0 HG2 GLN A 546 8.751 -7.356 3.398 1.00 41.01 H new ATOM 0 HG3 GLN A 546 7.965 -6.579 2.039 1.00 41.01 H new ATOM 0 HE21 GLN A 546 7.885 -4.141 2.131 1.00 24.12 H new ATOM 0 HE22 GLN A 546 9.361 -3.305 2.628 1.00 24.12 H new ATOM 73 N PHE A 547 5.020 -8.569 5.222 1.00 31.43 N ATOM 74 CA PHE A 547 4.163 -8.957 6.330 1.00 53.12 C ATOM 75 C PHE A 547 4.897 -9.895 7.289 1.00 23.34 C ATOM 76 O PHE A 547 5.065 -11.079 6.999 1.00 13.24 O ATOM 77 CB PHE A 547 2.964 -9.696 5.731 1.00 44.44 C ATOM 78 CG PHE A 547 2.534 -9.173 4.359 1.00 53.34 C ATOM 79 CD1 PHE A 547 3.357 -9.319 3.286 1.00 10.11 C ATOM 80 CD2 PHE A 547 1.327 -8.562 4.212 1.00 45.32 C ATOM 81 CE1 PHE A 547 2.957 -8.834 2.013 1.00 42.32 C ATOM 82 CE2 PHE A 547 0.928 -8.077 2.939 1.00 52.44 C ATOM 83 CZ PHE A 547 1.751 -8.223 1.866 1.00 50.21 C ATOM 0 H PHE A 547 5.710 -9.270 4.951 1.00 31.43 H new ATOM 0 HA PHE A 547 3.858 -8.074 6.891 1.00 53.12 H new ATOM 0 HB2 PHE A 547 3.209 -10.755 5.645 1.00 44.44 H new ATOM 0 HB3 PHE A 547 2.122 -9.618 6.419 1.00 44.44 H new ATOM 0 HD1 PHE A 547 4.315 -9.804 3.402 1.00 10.11 H new ATOM 0 HD2 PHE A 547 0.673 -8.446 5.064 1.00 45.32 H new ATOM 0 HE1 PHE A 547 3.611 -8.950 1.161 1.00 42.32 H new ATOM 0 HE2 PHE A 547 -0.030 -7.592 2.822 1.00 52.44 H new ATOM 0 HZ PHE A 547 1.447 -7.854 0.898 1.00 50.21 H new ATOM 93 N PRO A 548 5.327 -9.317 8.443 1.00 41.44 N ATOM 94 CA PRO A 548 6.040 -10.088 9.447 1.00 71.03 C ATOM 95 C PRO A 548 5.084 -10.999 10.219 1.00 15.34 C ATOM 96 O PRO A 548 3.932 -10.637 10.457 1.00 61.02 O ATOM 97 CB PRO A 548 6.718 -9.053 10.329 1.00 22.35 C ATOM 98 CG PRO A 548 5.989 -7.744 10.073 1.00 63.30 C ATOM 99 CD PRO A 548 5.147 -7.918 8.820 1.00 53.21 C ATOM 0 HA PRO A 548 6.776 -10.765 9.014 1.00 71.03 H new ATOM 0 HB2 PRO A 548 6.656 -9.335 11.380 1.00 22.35 H new ATOM 0 HB3 PRO A 548 7.776 -8.965 10.084 1.00 22.35 H new ATOM 0 HG2 PRO A 548 5.359 -7.485 10.924 1.00 63.30 H new ATOM 0 HG3 PRO A 548 6.701 -6.929 9.944 1.00 63.30 H new ATOM 0 HD2 PRO A 548 4.098 -7.692 9.013 1.00 53.21 H new ATOM 0 HD3 PRO A 548 5.476 -7.248 8.026 1.00 53.21 H new ATOM 107 N VAL A 549 5.596 -12.163 10.591 1.00 41.34 N ATOM 108 CA VAL A 549 4.802 -13.128 11.332 1.00 41.12 C ATOM 109 C VAL A 549 4.187 -12.444 12.554 1.00 33.13 C ATOM 110 O VAL A 549 3.010 -12.640 12.853 1.00 55.14 O ATOM 111 CB VAL A 549 5.659 -14.342 11.694 1.00 22.43 C ATOM 112 CG1 VAL A 549 6.097 -15.099 10.439 1.00 72.13 C ATOM 113 CG2 VAL A 549 6.869 -13.928 12.535 1.00 72.52 C ATOM 0 H VAL A 549 6.552 -12.460 10.393 1.00 41.34 H new ATOM 0 HA VAL A 549 3.980 -13.498 10.719 1.00 41.12 H new ATOM 0 HB VAL A 549 5.048 -15.016 12.295 1.00 22.43 H new ATOM 0 HG11 VAL A 549 6.705 -15.957 10.725 1.00 72.13 H new ATOM 0 HG12 VAL A 549 5.217 -15.443 9.896 1.00 72.13 H new ATOM 0 HG13 VAL A 549 6.682 -14.437 9.800 1.00 72.13 H new ATOM 0 HG21 VAL A 549 7.462 -14.810 12.779 1.00 72.52 H new ATOM 0 HG22 VAL A 549 7.481 -13.224 11.971 1.00 72.52 H new ATOM 0 HG23 VAL A 549 6.527 -13.455 13.456 1.00 72.52 H new ATOM 123 N GLU A 550 5.011 -11.656 13.229 1.00 54.21 N ATOM 124 CA GLU A 550 4.562 -10.942 14.412 1.00 1.13 C ATOM 125 C GLU A 550 3.312 -10.119 14.094 1.00 44.32 C ATOM 126 O GLU A 550 2.498 -9.853 14.977 1.00 60.24 O ATOM 127 CB GLU A 550 5.675 -10.054 14.972 1.00 64.21 C ATOM 128 CG GLU A 550 6.350 -9.253 13.857 1.00 43.40 C ATOM 129 CD GLU A 550 7.061 -8.021 14.421 1.00 42.44 C ATOM 130 OE1 GLU A 550 8.276 -8.064 14.666 1.00 51.33 O ATOM 131 OE2 GLU A 550 6.306 -6.991 14.602 1.00 12.32 O ATOM 0 H GLU A 550 5.987 -11.496 12.979 1.00 54.21 H new ATOM 0 HA GLU A 550 4.306 -11.674 15.178 1.00 1.13 H new ATOM 0 HB2 GLU A 550 5.262 -9.372 15.716 1.00 64.21 H new ATOM 0 HB3 GLU A 550 6.416 -10.671 15.481 1.00 64.21 H new ATOM 0 HG2 GLU A 550 7.068 -9.884 13.334 1.00 43.40 H new ATOM 0 HG3 GLU A 550 5.605 -8.944 13.124 1.00 43.40 H new ATOM 139 N HIS A 551 3.200 -9.738 12.830 1.00 50.31 N ATOM 140 CA HIS A 551 2.063 -8.950 12.384 1.00 62.10 C ATOM 141 C HIS A 551 0.960 -9.882 11.879 1.00 52.12 C ATOM 142 O HIS A 551 -0.210 -9.503 11.843 1.00 42.32 O ATOM 143 CB HIS A 551 2.493 -7.919 11.339 1.00 63.14 C ATOM 144 CG HIS A 551 2.923 -6.595 11.923 1.00 42.40 C ATOM 145 ND1 HIS A 551 3.168 -5.476 11.145 1.00 35.14 N ATOM 146 CD2 HIS A 551 3.149 -6.222 13.216 1.00 54.15 C ATOM 147 CE1 HIS A 551 3.524 -4.481 11.944 1.00 22.23 C ATOM 148 NE2 HIS A 551 3.512 -4.945 13.227 1.00 63.52 N ATOM 0 H HIS A 551 3.878 -9.960 12.101 1.00 50.31 H new ATOM 0 HA HIS A 551 1.657 -8.384 13.222 1.00 62.10 H new ATOM 0 HB2 HIS A 551 3.316 -8.331 10.754 1.00 63.14 H new ATOM 0 HB3 HIS A 551 1.666 -7.749 10.650 1.00 63.14 H new ATOM 0 HD2 HIS A 551 3.049 -6.858 14.083 1.00 54.15 H new ATOM 0 HE1 HIS A 551 3.779 -3.478 11.634 1.00 22.23 H new ATOM 0 HE2 HIS A 551 3.744 -4.400 14.058 1.00 63.52 H new ATOM 156 N VAL A 552 1.371 -11.083 11.501 1.00 21.43 N ATOM 157 CA VAL A 552 0.432 -12.072 11.000 1.00 63.53 C ATOM 158 C VAL A 552 -0.022 -12.969 12.153 1.00 12.14 C ATOM 159 O VAL A 552 0.803 -13.574 12.836 1.00 12.45 O ATOM 160 CB VAL A 552 1.063 -12.856 9.847 1.00 44.32 C ATOM 161 CG1 VAL A 552 0.264 -14.124 9.543 1.00 33.23 C ATOM 162 CG2 VAL A 552 1.199 -11.981 8.599 1.00 54.11 C ATOM 0 H VAL A 552 2.342 -11.394 11.532 1.00 21.43 H new ATOM 0 HA VAL A 552 -0.456 -11.585 10.598 1.00 63.53 H new ATOM 0 HB VAL A 552 2.064 -13.158 10.156 1.00 44.32 H new ATOM 0 HG11 VAL A 552 0.734 -14.662 8.720 1.00 33.23 H new ATOM 0 HG12 VAL A 552 0.242 -14.761 10.427 1.00 33.23 H new ATOM 0 HG13 VAL A 552 -0.755 -13.854 9.265 1.00 33.23 H new ATOM 0 HG21 VAL A 552 1.650 -12.562 7.795 1.00 54.11 H new ATOM 0 HG22 VAL A 552 0.213 -11.635 8.288 1.00 54.11 H new ATOM 0 HG23 VAL A 552 1.831 -11.122 8.824 1.00 54.11 H new ATOM 172 N GLN A 553 -1.333 -13.026 12.335 1.00 73.21 N ATOM 173 CA GLN A 553 -1.907 -13.839 13.394 1.00 14.30 C ATOM 174 C GLN A 553 -2.661 -15.030 12.800 1.00 63.42 C ATOM 175 O GLN A 553 -3.259 -14.921 11.730 1.00 5.24 O ATOM 176 CB GLN A 553 -2.823 -13.003 14.291 1.00 71.23 C ATOM 177 CG GLN A 553 -3.274 -13.805 15.513 1.00 75.41 C ATOM 178 CD GLN A 553 -3.687 -12.877 16.656 1.00 14.45 C ATOM 179 OE1 GLN A 553 -4.725 -12.095 16.371 1.00 14.21 O flip ATOM 180 NE2 GLN A 553 -3.102 -12.870 17.727 1.00 33.40 N flip ATOM 0 H GLN A 553 -2.014 -12.522 11.767 1.00 73.21 H new ATOM 0 HA GLN A 553 -1.095 -14.220 14.013 1.00 14.30 H new ATOM 0 HB2 GLN A 553 -2.299 -12.104 14.615 1.00 71.23 H new ATOM 0 HB3 GLN A 553 -3.695 -12.677 13.724 1.00 71.23 H new ATOM 0 HG2 GLN A 553 -4.111 -14.448 15.242 1.00 75.41 H new ATOM 0 HG3 GLN A 553 -2.465 -14.457 15.843 1.00 75.41 H new ATOM 0 HE21 GLN A 553 -2.312 -13.496 17.881 1.00 33.40 H new ATOM 0 HE22 GLN A 553 -3.403 -12.238 18.469 1.00 33.40 H new ATOM 189 N LEU A 554 -2.607 -16.142 13.519 1.00 13.21 N ATOM 190 CA LEU A 554 -3.277 -17.353 13.076 1.00 11.24 C ATOM 191 C LEU A 554 -4.731 -17.329 13.551 1.00 55.41 C ATOM 192 O LEU A 554 -4.999 -17.406 14.749 1.00 4.11 O ATOM 193 CB LEU A 554 -2.502 -18.591 13.532 1.00 51.11 C ATOM 194 CG LEU A 554 -1.255 -18.939 12.717 1.00 71.14 C ATOM 195 CD1 LEU A 554 -1.049 -20.454 12.650 1.00 3.53 C ATOM 196 CD2 LEU A 554 -1.316 -18.307 11.324 1.00 31.35 C ATOM 0 H LEU A 554 -2.110 -16.230 14.405 1.00 13.21 H new ATOM 0 HA LEU A 554 -3.297 -17.401 11.987 1.00 11.24 H new ATOM 0 HB2 LEU A 554 -2.204 -18.447 14.571 1.00 51.11 H new ATOM 0 HB3 LEU A 554 -3.177 -19.447 13.510 1.00 51.11 H new ATOM 0 HG LEU A 554 -0.387 -18.518 13.224 1.00 71.14 H new ATOM 0 HD11 LEU A 554 -0.156 -20.674 12.065 1.00 3.53 H new ATOM 0 HD12 LEU A 554 -0.929 -20.850 13.658 1.00 3.53 H new ATOM 0 HD13 LEU A 554 -1.915 -20.918 12.179 1.00 3.53 H new ATOM 0 HD21 LEU A 554 -0.418 -18.570 10.766 1.00 31.35 H new ATOM 0 HD22 LEU A 554 -2.194 -18.677 10.795 1.00 31.35 H new ATOM 0 HD23 LEU A 554 -1.380 -17.223 11.419 1.00 31.35 H new ATOM 208 N LEU A 555 -5.633 -17.221 12.586 1.00 14.14 N ATOM 209 CA LEU A 555 -7.054 -17.186 12.891 1.00 41.44 C ATOM 210 C LEU A 555 -7.796 -18.140 11.953 1.00 23.52 C ATOM 211 O LEU A 555 -7.209 -18.805 11.100 1.00 72.15 O ATOM 212 CB LEU A 555 -7.576 -15.748 12.844 1.00 72.34 C ATOM 213 CG LEU A 555 -6.570 -14.657 13.215 1.00 55.42 C ATOM 214 CD1 LEU A 555 -6.130 -13.873 11.977 1.00 52.11 C ATOM 215 CD2 LEU A 555 -7.133 -13.740 14.303 1.00 22.23 C ATOM 0 H LEU A 555 -5.408 -17.157 11.593 1.00 14.14 H new ATOM 0 HA LEU A 555 -7.234 -17.534 13.908 1.00 41.44 H new ATOM 0 HB2 LEU A 555 -7.943 -15.549 11.837 1.00 72.34 H new ATOM 0 HB3 LEU A 555 -8.430 -15.671 13.516 1.00 72.34 H new ATOM 0 HG LEU A 555 -5.681 -15.137 13.625 1.00 55.42 H new ATOM 0 HD11 LEU A 555 -5.415 -13.104 12.269 1.00 52.11 H new ATOM 0 HD12 LEU A 555 -5.662 -14.552 11.264 1.00 52.11 H new ATOM 0 HD13 LEU A 555 -6.999 -13.404 11.515 1.00 52.11 H new ATOM 0 HD21 LEU A 555 -6.398 -12.973 14.549 1.00 22.23 H new ATOM 0 HD22 LEU A 555 -8.046 -13.266 13.943 1.00 22.23 H new ATOM 0 HD23 LEU A 555 -7.356 -14.327 15.194 1.00 22.23 H new ATOM 227 N CYS A 556 -9.112 -18.194 12.133 1.00 61.43 N ATOM 228 CA CYS A 556 -9.960 -19.057 11.319 1.00 12.05 C ATOM 229 C CYS A 556 -10.791 -18.235 10.338 1.00 64.33 C ATOM 230 O CYS A 556 -11.768 -17.613 10.750 1.00 33.11 O ATOM 231 CB CYS A 556 -10.882 -19.889 12.212 1.00 34.32 C ATOM 232 SG CYS A 556 -11.543 -21.385 11.408 1.00 13.13 S ATOM 0 H CYS A 556 -9.614 -17.650 12.835 1.00 61.43 H new ATOM 0 HA CYS A 556 -9.315 -19.726 10.750 1.00 12.05 H new ATOM 0 HB2 CYS A 556 -10.335 -20.182 13.108 1.00 34.32 H new ATOM 0 HB3 CYS A 556 -11.715 -19.266 12.537 1.00 34.32 H new ATOM 237 N ILE A 557 -10.388 -18.250 9.075 1.00 33.15 N ATOM 238 CA ILE A 557 -11.102 -17.503 8.054 1.00 72.44 C ATOM 239 C ILE A 557 -12.601 -17.535 8.359 1.00 51.22 C ATOM 240 O ILE A 557 -13.313 -16.569 8.089 1.00 15.01 O ATOM 241 CB ILE A 557 -10.747 -18.028 6.661 1.00 51.43 C ATOM 242 CG1 ILE A 557 -11.691 -19.157 6.243 1.00 62.20 C ATOM 243 CG2 ILE A 557 -9.279 -18.453 6.593 1.00 41.43 C ATOM 244 CD1 ILE A 557 -11.424 -19.589 4.800 1.00 64.32 C ATOM 0 H ILE A 557 -9.577 -18.767 8.737 1.00 33.15 H new ATOM 0 HA ILE A 557 -10.797 -16.457 8.064 1.00 72.44 H new ATOM 0 HB ILE A 557 -10.880 -17.216 5.946 1.00 51.43 H new ATOM 0 HG12 ILE A 557 -11.563 -20.009 6.911 1.00 62.20 H new ATOM 0 HG13 ILE A 557 -12.725 -18.827 6.342 1.00 62.20 H new ATOM 0 HG21 ILE A 557 -9.053 -18.822 5.593 1.00 41.43 H new ATOM 0 HG22 ILE A 557 -8.642 -17.597 6.817 1.00 41.43 H new ATOM 0 HG23 ILE A 557 -9.095 -19.243 7.321 1.00 41.43 H new ATOM 0 HD11 ILE A 557 -12.108 -20.393 4.528 1.00 64.32 H new ATOM 0 HD12 ILE A 557 -11.576 -18.741 4.132 1.00 64.32 H new ATOM 0 HD13 ILE A 557 -10.397 -19.942 4.710 1.00 64.32 H new ATOM 256 N ASN A 558 -13.035 -18.655 8.917 1.00 15.03 N ATOM 257 CA ASN A 558 -14.437 -18.825 9.262 1.00 3.11 C ATOM 258 C ASN A 558 -14.730 -18.083 10.567 1.00 1.45 C ATOM 259 O ASN A 558 -15.550 -17.167 10.594 1.00 14.41 O ATOM 260 CB ASN A 558 -14.777 -20.302 9.471 1.00 13.33 C ATOM 261 CG ASN A 558 -14.914 -21.028 8.132 1.00 52.14 C ATOM 262 OD1 ASN A 558 -14.352 -20.635 7.123 1.00 64.12 O ATOM 263 ND2 ASN A 558 -15.691 -22.106 8.178 1.00 71.32 N ATOM 0 H ASN A 558 -12.441 -19.454 9.139 1.00 15.03 H new ATOM 0 HA ASN A 558 -15.037 -18.429 8.442 1.00 3.11 H new ATOM 0 HB2 ASN A 558 -13.999 -20.777 10.068 1.00 13.33 H new ATOM 0 HB3 ASN A 558 -15.707 -20.389 10.033 1.00 13.33 H new ATOM 0 HD21 ASN A 558 -15.846 -22.659 7.335 1.00 71.32 H new ATOM 0 HD22 ASN A 558 -16.132 -22.380 9.056 1.00 71.32 H new ATOM 270 N CYS A 559 -14.043 -18.506 11.619 1.00 50.45 N ATOM 271 CA CYS A 559 -14.219 -17.892 12.924 1.00 74.40 C ATOM 272 C CYS A 559 -13.535 -16.524 12.908 1.00 31.24 C ATOM 273 O CYS A 559 -14.203 -15.492 12.929 1.00 53.30 O ATOM 274 CB CYS A 559 -13.684 -18.785 14.045 1.00 35.43 C ATOM 275 SG CYS A 559 -13.815 -20.582 13.724 1.00 72.22 S ATOM 0 H CYS A 559 -13.364 -19.266 11.594 1.00 50.45 H new ATOM 0 HA CYS A 559 -15.282 -17.762 13.128 1.00 74.40 H new ATOM 0 HB2 CYS A 559 -12.637 -18.537 14.220 1.00 35.43 H new ATOM 0 HB3 CYS A 559 -14.224 -18.554 14.963 1.00 35.43 H new ATOM 280 N MET A 560 -12.211 -16.561 12.872 1.00 12.43 N ATOM 281 CA MET A 560 -11.429 -15.336 12.854 1.00 70.12 C ATOM 282 C MET A 560 -11.360 -14.708 14.247 1.00 31.44 C ATOM 283 O MET A 560 -11.594 -13.511 14.405 1.00 24.00 O ATOM 284 CB MET A 560 -12.060 -14.342 11.877 1.00 63.15 C ATOM 285 CG MET A 560 -12.390 -15.018 10.544 1.00 11.11 C ATOM 286 SD MET A 560 -13.222 -13.865 9.465 1.00 44.14 S ATOM 287 CE MET A 560 -14.921 -14.291 9.805 1.00 30.54 C ATOM 0 H MET A 560 -11.660 -17.419 12.855 1.00 12.43 H new ATOM 0 HA MET A 560 -10.415 -15.579 12.535 1.00 70.12 H new ATOM 0 HB2 MET A 560 -12.968 -13.925 12.312 1.00 63.15 H new ATOM 0 HB3 MET A 560 -11.377 -13.510 11.708 1.00 63.15 H new ATOM 0 HG2 MET A 560 -11.475 -15.376 10.072 1.00 11.11 H new ATOM 0 HG3 MET A 560 -13.022 -15.890 10.715 1.00 11.11 H new ATOM 0 HE1 MET A 560 -15.559 -13.429 9.608 1.00 30.54 H new ATOM 0 HE2 MET A 560 -15.223 -15.120 9.165 1.00 30.54 H new ATOM 0 HE3 MET A 560 -15.020 -14.585 10.850 1.00 30.54 H new ATOM 297 N VAL A 561 -11.038 -15.545 15.223 1.00 14.01 N ATOM 298 CA VAL A 561 -10.936 -15.087 16.598 1.00 2.02 C ATOM 299 C VAL A 561 -9.486 -15.221 17.069 1.00 32.21 C ATOM 300 O VAL A 561 -9.157 -14.844 18.193 1.00 74.32 O ATOM 301 CB VAL A 561 -11.924 -15.853 17.480 1.00 12.10 C ATOM 302 CG1 VAL A 561 -13.200 -16.191 16.707 1.00 72.51 C ATOM 303 CG2 VAL A 561 -11.280 -17.116 18.056 1.00 54.30 C ATOM 0 H VAL A 561 -10.844 -16.537 15.088 1.00 14.01 H new ATOM 0 HA VAL A 561 -11.206 -14.033 16.671 1.00 2.02 H new ATOM 0 HB VAL A 561 -12.199 -15.208 18.314 1.00 12.10 H new ATOM 0 HG11 VAL A 561 -13.885 -16.735 17.357 1.00 72.51 H new ATOM 0 HG12 VAL A 561 -13.675 -15.270 16.368 1.00 72.51 H new ATOM 0 HG13 VAL A 561 -12.950 -16.809 15.844 1.00 72.51 H new ATOM 0 HG21 VAL A 561 -12.004 -17.642 18.679 1.00 54.30 H new ATOM 0 HG22 VAL A 561 -10.962 -17.766 17.241 1.00 54.30 H new ATOM 0 HG23 VAL A 561 -10.415 -16.841 18.659 1.00 54.30 H new ATOM 313 N ALA A 562 -8.658 -15.760 16.186 1.00 52.51 N ATOM 314 CA ALA A 562 -7.251 -15.948 16.497 1.00 35.21 C ATOM 315 C ALA A 562 -7.080 -17.240 17.300 1.00 41.54 C ATOM 316 O ALA A 562 -7.357 -17.272 18.497 1.00 12.35 O ATOM 317 CB ALA A 562 -6.725 -14.722 17.246 1.00 72.11 C ATOM 0 H ALA A 562 -8.935 -16.072 15.255 1.00 52.51 H new ATOM 0 HA ALA A 562 -6.665 -16.047 15.583 1.00 35.21 H new ATOM 0 HB1 ALA A 562 -5.670 -14.863 17.479 1.00 72.11 H new ATOM 0 HB2 ALA A 562 -6.843 -13.836 16.622 1.00 72.11 H new ATOM 0 HB3 ALA A 562 -7.287 -14.592 18.171 1.00 72.11 H new ATOM 323 N VAL A 563 -6.624 -18.273 16.607 1.00 45.31 N ATOM 324 CA VAL A 563 -6.412 -19.563 17.240 1.00 24.31 C ATOM 325 C VAL A 563 -4.928 -19.724 17.577 1.00 1.43 C ATOM 326 O VAL A 563 -4.530 -20.713 18.191 1.00 54.13 O ATOM 327 CB VAL A 563 -6.945 -20.681 16.341 1.00 4.12 C ATOM 328 CG1 VAL A 563 -8.462 -20.820 16.481 1.00 23.41 C ATOM 329 CG2 VAL A 563 -6.547 -20.447 14.882 1.00 34.42 C ATOM 0 H VAL A 563 -6.396 -18.243 15.613 1.00 45.31 H new ATOM 0 HA VAL A 563 -6.967 -19.624 18.176 1.00 24.31 H new ATOM 0 HB VAL A 563 -6.492 -21.618 16.665 1.00 4.12 H new ATOM 0 HG11 VAL A 563 -8.815 -21.621 15.832 1.00 23.41 H new ATOM 0 HG12 VAL A 563 -8.712 -21.054 17.516 1.00 23.41 H new ATOM 0 HG13 VAL A 563 -8.941 -19.884 16.195 1.00 23.41 H new ATOM 0 HG21 VAL A 563 -6.938 -21.255 14.264 1.00 34.42 H new ATOM 0 HG22 VAL A 563 -6.959 -19.497 14.540 1.00 34.42 H new ATOM 0 HG23 VAL A 563 -5.460 -20.421 14.801 1.00 34.42 H new ATOM 339 N GLY A 564 -4.149 -18.736 17.162 1.00 53.55 N ATOM 340 CA GLY A 564 -2.718 -18.755 17.412 1.00 51.52 C ATOM 341 C GLY A 564 -2.034 -17.543 16.775 1.00 61.11 C ATOM 342 O GLY A 564 -2.686 -16.544 16.476 1.00 42.14 O ATOM 0 H GLY A 564 -4.482 -17.917 16.654 1.00 53.55 H new ATOM 0 HA2 GLY A 564 -2.533 -18.759 18.486 1.00 51.52 H new ATOM 0 HA3 GLY A 564 -2.287 -19.673 17.011 1.00 51.52 H new ATOM 346 N HIS A 565 -0.729 -17.672 16.587 1.00 42.03 N ATOM 347 CA HIS A 565 0.051 -16.600 15.991 1.00 72.21 C ATOM 348 C HIS A 565 0.802 -17.131 14.768 1.00 3.23 C ATOM 349 O HIS A 565 1.249 -18.277 14.759 1.00 53.14 O ATOM 350 CB HIS A 565 0.979 -15.963 17.027 1.00 52.12 C ATOM 351 CG HIS A 565 0.274 -15.057 18.008 1.00 33.22 C ATOM 352 ND1 HIS A 565 -0.468 -15.348 19.116 1.00 41.54 N flip ATOM 353 CD2 HIS A 565 0.289 -13.678 17.900 1.00 64.15 C flip ATOM 354 CE1 HIS A 565 -0.881 -14.208 19.655 1.00 24.22 C flip ATOM 355 NE2 HIS A 565 -0.414 -13.171 18.902 1.00 73.10 N flip ATOM 0 H HIS A 565 -0.192 -18.502 16.837 1.00 42.03 H new ATOM 0 HA HIS A 565 -0.614 -15.807 15.649 1.00 72.21 H new ATOM 0 HB2 HIS A 565 1.488 -16.753 17.579 1.00 52.12 H new ATOM 0 HB3 HIS A 565 1.748 -15.391 16.508 1.00 52.12 H new ATOM 0 HD2 HIS A 565 0.789 -13.111 17.129 1.00 64.15 H new ATOM 0 HE1 HIS A 565 -1.487 -14.116 20.544 1.00 24.22 H new ATOM 0 HE2 HIS A 565 -0.577 -12.180 19.079 1.00 73.10 H new ATOM 363 N GLY A 566 0.919 -16.271 13.767 1.00 61.53 N ATOM 364 CA GLY A 566 1.609 -16.639 12.542 1.00 71.12 C ATOM 365 C GLY A 566 3.122 -16.699 12.761 1.00 10.23 C ATOM 366 O GLY A 566 3.873 -17.034 11.847 1.00 73.54 O ATOM 0 H GLY A 566 0.548 -15.321 13.779 1.00 61.53 H new ATOM 0 HA2 GLY A 566 1.250 -17.608 12.195 1.00 71.12 H new ATOM 0 HA3 GLY A 566 1.380 -15.915 11.760 1.00 71.12 H new ATOM 370 N SER A 567 3.524 -16.368 13.979 1.00 5.14 N ATOM 371 CA SER A 567 4.934 -16.380 14.331 1.00 44.43 C ATOM 372 C SER A 567 5.198 -17.441 15.401 1.00 1.42 C ATOM 373 O SER A 567 6.280 -17.484 15.984 1.00 4.21 O ATOM 374 CB SER A 567 5.391 -15.005 14.822 1.00 11.34 C ATOM 375 OG SER A 567 5.067 -14.794 16.194 1.00 40.50 O ATOM 0 H SER A 567 2.898 -16.090 14.735 1.00 5.14 H new ATOM 0 HA SER A 567 5.507 -16.625 13.437 1.00 44.43 H new ATOM 0 HB2 SER A 567 6.468 -14.911 14.685 1.00 11.34 H new ATOM 0 HB3 SER A 567 4.923 -14.229 14.215 1.00 11.34 H new ATOM 0 HG SER A 567 5.376 -13.906 16.470 1.00 40.50 H new ATOM 381 N ASP A 568 4.190 -18.270 15.627 1.00 23.42 N ATOM 382 CA ASP A 568 4.300 -19.328 16.617 1.00 34.33 C ATOM 383 C ASP A 568 4.259 -20.686 15.913 1.00 24.01 C ATOM 384 O ASP A 568 4.566 -21.712 16.518 1.00 62.32 O ATOM 385 CB ASP A 568 3.137 -19.276 17.610 1.00 54.01 C ATOM 386 CG ASP A 568 3.453 -19.816 19.006 1.00 61.41 C ATOM 387 OD1 ASP A 568 2.823 -20.775 19.478 1.00 41.52 O ATOM 388 OD2 ASP A 568 4.404 -19.203 19.625 1.00 22.22 O ATOM 0 H ASP A 568 3.294 -18.231 15.142 1.00 23.42 H new ATOM 0 HA ASP A 568 5.239 -19.191 17.153 1.00 34.33 H new ATOM 0 HB2 ASP A 568 2.805 -18.242 17.704 1.00 54.01 H new ATOM 0 HB3 ASP A 568 2.302 -19.843 17.198 1.00 54.01 H new ATOM 394 N LEU A 569 3.878 -20.648 14.645 1.00 45.23 N ATOM 395 CA LEU A 569 3.794 -21.862 13.852 1.00 61.53 C ATOM 396 C LEU A 569 5.133 -22.103 13.152 1.00 62.42 C ATOM 397 O LEU A 569 5.992 -21.224 13.128 1.00 4.41 O ATOM 398 CB LEU A 569 2.603 -21.795 12.894 1.00 71.41 C ATOM 399 CG LEU A 569 2.552 -20.576 11.971 1.00 20.01 C ATOM 400 CD1 LEU A 569 3.959 -20.148 11.550 1.00 22.11 C ATOM 401 CD2 LEU A 569 1.648 -20.838 10.765 1.00 32.51 C ATOM 0 H LEU A 569 3.624 -19.795 14.147 1.00 45.23 H new ATOM 0 HA LEU A 569 3.610 -22.724 14.494 1.00 61.53 H new ATOM 0 HB2 LEU A 569 2.608 -22.693 12.277 1.00 71.41 H new ATOM 0 HB3 LEU A 569 1.686 -21.818 13.483 1.00 71.41 H new ATOM 0 HG LEU A 569 2.115 -19.746 12.526 1.00 20.01 H new ATOM 0 HD11 LEU A 569 3.894 -19.280 10.894 1.00 22.11 H new ATOM 0 HD12 LEU A 569 4.541 -19.892 12.435 1.00 22.11 H new ATOM 0 HD13 LEU A 569 4.445 -20.967 11.020 1.00 22.11 H new ATOM 0 HD21 LEU A 569 1.630 -19.956 10.125 1.00 32.51 H new ATOM 0 HD22 LEU A 569 2.032 -21.688 10.200 1.00 32.51 H new ATOM 0 HD23 LEU A 569 0.637 -21.058 11.109 1.00 32.51 H new ATOM 413 N ARG A 570 5.269 -23.300 12.599 1.00 53.20 N ATOM 414 CA ARG A 570 6.489 -23.668 11.900 1.00 15.34 C ATOM 415 C ARG A 570 6.220 -24.826 10.938 1.00 41.05 C ATOM 416 O ARG A 570 5.527 -25.781 11.287 1.00 45.50 O ATOM 417 CB ARG A 570 7.586 -24.076 12.886 1.00 75.25 C ATOM 418 CG ARG A 570 7.953 -22.914 13.810 1.00 13.32 C ATOM 419 CD ARG A 570 9.150 -23.272 14.693 1.00 34.52 C ATOM 420 NE ARG A 570 9.095 -22.503 15.956 1.00 22.34 N ATOM 421 CZ ARG A 570 9.617 -21.268 16.114 1.00 64.34 C ATOM 422 NH1 ARG A 570 10.239 -20.651 15.086 1.00 34.21 N ATOM 423 NH2 ARG A 570 9.511 -20.673 17.287 1.00 25.31 N ATOM 0 H ARG A 570 4.554 -24.027 12.621 1.00 53.20 H new ATOM 0 HA ARG A 570 6.827 -22.797 11.339 1.00 15.34 H new ATOM 0 HB2 ARG A 570 7.248 -24.925 13.480 1.00 75.25 H new ATOM 0 HB3 ARG A 570 8.470 -24.402 12.338 1.00 75.25 H new ATOM 0 HG2 ARG A 570 8.187 -22.031 13.215 1.00 13.32 H new ATOM 0 HG3 ARG A 570 7.098 -22.659 14.436 1.00 13.32 H new ATOM 0 HD2 ARG A 570 9.147 -24.341 14.908 1.00 34.52 H new ATOM 0 HD3 ARG A 570 10.079 -23.055 14.166 1.00 34.52 H new ATOM 0 HE ARG A 570 8.634 -22.933 16.758 1.00 22.34 H new ATOM 0 HH11 ARG A 570 10.317 -21.118 14.183 1.00 34.21 H new ATOM 0 HH12 ARG A 570 10.631 -19.718 15.213 1.00 34.21 H new ATOM 0 HH21 ARG A 570 9.040 -21.146 18.058 1.00 25.31 H new ATOM 0 HH22 ARG A 570 9.900 -19.740 17.423 1.00 25.31 H new ATOM 436 N LYS A 571 6.783 -24.704 9.744 1.00 15.01 N ATOM 437 CA LYS A 571 6.613 -25.729 8.728 1.00 14.03 C ATOM 438 C LYS A 571 7.448 -26.955 9.102 1.00 2.12 C ATOM 439 O LYS A 571 8.411 -26.847 9.861 1.00 54.24 O ATOM 440 CB LYS A 571 6.932 -25.167 7.341 1.00 15.05 C ATOM 441 CG LYS A 571 8.417 -24.822 7.218 1.00 62.41 C ATOM 442 CD LYS A 571 8.796 -24.543 5.762 1.00 31.11 C ATOM 443 CE LYS A 571 7.961 -23.396 5.189 1.00 62.12 C ATOM 444 NZ LYS A 571 8.763 -22.599 4.234 1.00 52.32 N ATOM 0 H LYS A 571 7.357 -23.911 9.458 1.00 15.01 H new ATOM 0 HA LYS A 571 5.573 -26.053 8.684 1.00 14.03 H new ATOM 0 HB2 LYS A 571 6.660 -25.896 6.578 1.00 15.05 H new ATOM 0 HB3 LYS A 571 6.332 -24.276 7.159 1.00 15.05 H new ATOM 0 HG2 LYS A 571 8.643 -23.949 7.830 1.00 62.41 H new ATOM 0 HG3 LYS A 571 9.019 -25.646 7.603 1.00 62.41 H new ATOM 0 HD2 LYS A 571 9.855 -24.293 5.700 1.00 31.11 H new ATOM 0 HD3 LYS A 571 8.645 -25.442 5.164 1.00 31.11 H new ATOM 0 HE2 LYS A 571 7.079 -23.795 4.688 1.00 62.12 H new ATOM 0 HE3 LYS A 571 7.607 -22.757 5.998 1.00 62.12 H new ATOM 0 HZ1 LYS A 571 8.182 -21.825 3.854 1.00 52.32 H new ATOM 0 HZ2 LYS A 571 9.591 -22.203 4.722 1.00 52.32 H new ATOM 0 HZ3 LYS A 571 9.080 -23.209 3.453 1.00 52.32 H new ATOM 457 N VAL A 572 7.050 -28.093 8.553 1.00 50.34 N ATOM 458 CA VAL A 572 7.750 -29.338 8.819 1.00 41.21 C ATOM 459 C VAL A 572 8.474 -29.792 7.550 1.00 24.00 C ATOM 460 O VAL A 572 7.865 -30.386 6.662 1.00 51.22 O ATOM 461 CB VAL A 572 6.771 -30.384 9.356 1.00 63.24 C ATOM 462 CG1 VAL A 572 7.267 -31.801 9.061 1.00 65.12 C ATOM 463 CG2 VAL A 572 6.527 -30.189 10.853 1.00 20.13 C ATOM 0 H VAL A 572 6.251 -28.179 7.925 1.00 50.34 H new ATOM 0 HA VAL A 572 8.506 -29.194 9.591 1.00 41.21 H new ATOM 0 HB VAL A 572 5.820 -30.248 8.841 1.00 63.24 H new ATOM 0 HG11 VAL A 572 6.553 -32.525 9.453 1.00 65.12 H new ATOM 0 HG12 VAL A 572 7.366 -31.935 7.984 1.00 65.12 H new ATOM 0 HG13 VAL A 572 8.236 -31.953 9.536 1.00 65.12 H new ATOM 0 HG21 VAL A 572 5.828 -30.945 11.209 1.00 20.13 H new ATOM 0 HG22 VAL A 572 7.470 -30.285 11.391 1.00 20.13 H new ATOM 0 HG23 VAL A 572 6.109 -29.198 11.027 1.00 20.13 H new ATOM 473 N GLU A 573 9.765 -29.495 7.505 1.00 30.54 N ATOM 474 CA GLU A 573 10.579 -29.866 6.360 1.00 12.11 C ATOM 475 C GLU A 573 9.865 -29.494 5.059 1.00 73.20 C ATOM 476 O GLU A 573 10.129 -30.082 4.012 1.00 62.53 O ATOM 477 CB GLU A 573 10.922 -31.357 6.390 1.00 1.55 C ATOM 478 CG GLU A 573 9.673 -32.212 6.167 1.00 41.53 C ATOM 479 CD GLU A 573 10.050 -33.658 5.839 1.00 1.25 C ATOM 480 OE1 GLU A 573 9.848 -34.555 6.671 1.00 13.35 O ATOM 481 OE2 GLU A 573 10.570 -33.835 4.672 1.00 2.13 O ATOM 0 H GLU A 573 10.267 -29.002 8.243 1.00 30.54 H new ATOM 0 HA GLU A 573 11.516 -29.311 6.410 1.00 12.11 H new ATOM 0 HB2 GLU A 573 11.661 -31.579 5.620 1.00 1.55 H new ATOM 0 HB3 GLU A 573 11.374 -31.611 7.349 1.00 1.55 H new ATOM 0 HG2 GLU A 573 9.048 -32.189 7.060 1.00 41.53 H new ATOM 0 HG3 GLU A 573 9.082 -31.793 5.353 1.00 41.53 H new ATOM 489 N GLY A 574 8.974 -28.520 5.168 1.00 54.20 N ATOM 490 CA GLY A 574 8.220 -28.063 4.013 1.00 15.31 C ATOM 491 C GLY A 574 6.945 -28.888 3.829 1.00 74.32 C ATOM 492 O GLY A 574 5.985 -28.426 3.214 1.00 60.24 O ATOM 0 H GLY A 574 8.757 -28.034 6.038 1.00 54.20 H new ATOM 0 HA2 GLY A 574 7.962 -27.011 4.136 1.00 15.31 H new ATOM 0 HA3 GLY A 574 8.838 -28.138 3.118 1.00 15.31 H new ATOM 496 N THR A 575 6.976 -30.096 4.373 1.00 10.23 N ATOM 497 CA THR A 575 5.835 -30.990 4.277 1.00 72.13 C ATOM 498 C THR A 575 4.528 -30.199 4.364 1.00 43.13 C ATOM 499 O THR A 575 3.866 -29.974 3.352 1.00 72.41 O ATOM 500 CB THR A 575 5.975 -32.054 5.367 1.00 35.21 C ATOM 501 OG1 THR A 575 7.147 -32.776 5.000 1.00 41.21 O ATOM 502 CG2 THR A 575 4.860 -33.101 5.310 1.00 11.12 C ATOM 0 H THR A 575 7.774 -30.476 4.882 1.00 10.23 H new ATOM 0 HA THR A 575 5.809 -31.495 3.311 1.00 72.13 H new ATOM 0 HB THR A 575 5.972 -31.573 6.345 1.00 35.21 H new ATOM 0 HG1 THR A 575 7.313 -33.485 5.655 1.00 41.21 H new ATOM 0 HG21 THR A 575 5.007 -33.832 6.105 1.00 11.12 H new ATOM 0 HG22 THR A 575 3.895 -32.612 5.441 1.00 11.12 H new ATOM 0 HG23 THR A 575 4.883 -33.605 4.344 1.00 11.12 H new ATOM 510 N HIS A 576 4.197 -29.798 5.582 1.00 13.21 N ATOM 511 CA HIS A 576 2.981 -29.036 5.814 1.00 22.44 C ATOM 512 C HIS A 576 3.196 -28.070 6.981 1.00 30.22 C ATOM 513 O HIS A 576 3.984 -28.347 7.884 1.00 1.11 O ATOM 514 CB HIS A 576 1.788 -29.970 6.029 1.00 2.24 C ATOM 515 CG HIS A 576 1.443 -30.812 4.825 1.00 72.52 C ATOM 516 ND1 HIS A 576 1.644 -32.181 4.785 1.00 74.20 N ATOM 517 CD2 HIS A 576 0.908 -30.466 3.619 1.00 73.41 C ATOM 518 CE1 HIS A 576 1.245 -32.628 3.603 1.00 32.22 C ATOM 519 NE2 HIS A 576 0.790 -31.564 2.882 1.00 54.22 N ATOM 0 H HIS A 576 4.749 -29.986 6.419 1.00 13.21 H new ATOM 0 HA HIS A 576 2.747 -28.439 4.932 1.00 22.44 H new ATOM 0 HB2 HIS A 576 2.002 -30.629 6.871 1.00 2.24 H new ATOM 0 HB3 HIS A 576 0.918 -29.374 6.304 1.00 2.24 H new ATOM 0 HD2 HIS A 576 0.628 -29.468 3.315 1.00 73.41 H new ATOM 0 HE1 HIS A 576 1.275 -33.655 3.269 1.00 32.22 H new ATOM 0 HE2 HIS A 576 0.420 -31.605 1.932 1.00 54.22 H new ATOM 527 N HIS A 577 2.481 -26.956 6.924 1.00 31.35 N ATOM 528 CA HIS A 577 2.583 -25.947 7.965 1.00 22.52 C ATOM 529 C HIS A 577 1.912 -26.457 9.242 1.00 74.31 C ATOM 530 O HIS A 577 0.704 -26.693 9.261 1.00 5.23 O ATOM 531 CB HIS A 577 2.010 -24.613 7.486 1.00 54.51 C ATOM 532 CG HIS A 577 2.999 -23.753 6.735 1.00 74.53 C ATOM 533 ND1 HIS A 577 3.716 -24.215 5.644 1.00 14.45 N ATOM 534 CD2 HIS A 577 3.381 -22.458 6.927 1.00 32.43 C ATOM 535 CE1 HIS A 577 4.492 -23.233 5.209 1.00 20.32 C ATOM 536 NE2 HIS A 577 4.284 -22.146 6.006 1.00 55.12 N ATOM 0 H HIS A 577 1.829 -26.730 6.173 1.00 31.35 H new ATOM 0 HA HIS A 577 3.632 -25.763 8.197 1.00 22.52 H new ATOM 0 HB2 HIS A 577 1.152 -24.808 6.843 1.00 54.51 H new ATOM 0 HB3 HIS A 577 1.642 -24.057 8.348 1.00 54.51 H new ATOM 0 HD1 HIS A 577 3.657 -25.151 5.244 1.00 14.45 H new ATOM 0 HD2 HIS A 577 3.011 -21.798 7.698 1.00 32.43 H new ATOM 0 HE1 HIS A 577 5.170 -23.284 4.370 1.00 20.32 H new ATOM 544 N VAL A 578 2.723 -26.613 10.278 1.00 42.35 N ATOM 545 CA VAL A 578 2.223 -27.090 11.555 1.00 31.34 C ATOM 546 C VAL A 578 2.398 -25.994 12.609 1.00 64.54 C ATOM 547 O VAL A 578 3.520 -25.578 12.895 1.00 13.14 O ATOM 548 CB VAL A 578 2.918 -28.400 11.933 1.00 3.34 C ATOM 549 CG1 VAL A 578 2.590 -29.505 10.928 1.00 72.00 C ATOM 550 CG2 VAL A 578 4.430 -28.202 12.056 1.00 5.32 C ATOM 0 H VAL A 578 3.724 -26.417 10.258 1.00 42.35 H new ATOM 0 HA VAL A 578 1.157 -27.310 11.489 1.00 31.34 H new ATOM 0 HB VAL A 578 2.540 -28.711 12.907 1.00 3.34 H new ATOM 0 HG11 VAL A 578 3.097 -30.425 11.220 1.00 72.00 H new ATOM 0 HG12 VAL A 578 1.513 -29.673 10.911 1.00 72.00 H new ATOM 0 HG13 VAL A 578 2.926 -29.205 9.935 1.00 72.00 H new ATOM 0 HG21 VAL A 578 4.900 -29.148 12.325 1.00 5.32 H new ATOM 0 HG22 VAL A 578 4.830 -27.856 11.103 1.00 5.32 H new ATOM 0 HG23 VAL A 578 4.638 -27.461 12.827 1.00 5.32 H new ATOM 560 N ASN A 579 1.273 -25.559 13.156 1.00 3.31 N ATOM 561 CA ASN A 579 1.289 -24.519 14.171 1.00 34.34 C ATOM 562 C ASN A 579 1.393 -25.165 15.555 1.00 73.04 C ATOM 563 O ASN A 579 0.525 -25.944 15.947 1.00 42.30 O ATOM 564 CB ASN A 579 0.003 -23.692 14.132 1.00 54.33 C ATOM 565 CG ASN A 579 -0.147 -22.849 15.400 1.00 45.22 C ATOM 566 OD1 ASN A 579 0.990 -22.302 15.823 1.00 30.24 O flip ATOM 567 ND2 ASN A 579 -1.222 -22.704 15.957 1.00 72.32 N flip ATOM 0 H ASN A 579 0.345 -25.907 12.916 1.00 3.31 H new ATOM 0 HA ASN A 579 2.142 -23.869 13.975 1.00 34.34 H new ATOM 0 HB2 ASN A 579 0.012 -23.041 13.258 1.00 54.33 H new ATOM 0 HB3 ASN A 579 -0.856 -24.354 14.028 1.00 54.33 H new ATOM 0 HD21 ASN A 579 -2.057 -23.152 15.579 1.00 72.32 H new ATOM 0 HD22 ASN A 579 -1.286 -22.135 16.801 1.00 72.32 H new ATOM 574 N VAL A 580 2.462 -24.818 16.256 1.00 51.43 N ATOM 575 CA VAL A 580 2.691 -25.354 17.587 1.00 53.43 C ATOM 576 C VAL A 580 2.167 -24.363 18.628 1.00 54.51 C ATOM 577 O VAL A 580 2.471 -23.172 18.566 1.00 23.50 O ATOM 578 CB VAL A 580 4.173 -25.685 17.770 1.00 42.32 C ATOM 579 CG1 VAL A 580 4.377 -26.664 18.927 1.00 3.04 C ATOM 580 CG2 VAL A 580 4.776 -26.233 16.475 1.00 45.20 C ATOM 0 H VAL A 580 3.180 -24.172 15.927 1.00 51.43 H new ATOM 0 HA VAL A 580 2.144 -26.287 17.722 1.00 53.43 H new ATOM 0 HB VAL A 580 4.695 -24.761 18.018 1.00 42.32 H new ATOM 0 HG11 VAL A 580 5.439 -26.883 19.036 1.00 3.04 H new ATOM 0 HG12 VAL A 580 4.002 -26.221 19.849 1.00 3.04 H new ATOM 0 HG13 VAL A 580 3.836 -27.588 18.722 1.00 3.04 H new ATOM 0 HG21 VAL A 580 5.830 -26.460 16.632 1.00 45.20 H new ATOM 0 HG22 VAL A 580 4.248 -27.141 16.184 1.00 45.20 H new ATOM 0 HG23 VAL A 580 4.679 -25.488 15.685 1.00 45.20 H new ATOM 590 N ASN A 581 1.387 -24.890 19.560 1.00 21.13 N ATOM 591 CA ASN A 581 0.818 -24.067 20.614 1.00 54.35 C ATOM 592 C ASN A 581 -0.102 -24.925 21.485 1.00 52.44 C ATOM 593 O ASN A 581 -0.821 -25.783 20.976 1.00 33.22 O ATOM 594 CB ASN A 581 -0.015 -22.924 20.030 1.00 51.24 C ATOM 595 CG ASN A 581 -0.123 -21.762 21.020 1.00 64.33 C ATOM 596 OD1 ASN A 581 -1.240 -21.768 21.741 1.00 1.11 O flip ATOM 597 ND2 ASN A 581 0.751 -20.917 21.122 1.00 70.01 N flip ATOM 0 H ASN A 581 1.135 -25.877 19.607 1.00 21.13 H new ATOM 0 HA ASN A 581 1.639 -23.653 21.199 1.00 54.35 H new ATOM 0 HB2 ASN A 581 0.439 -22.575 19.103 1.00 51.24 H new ATOM 0 HB3 ASN A 581 -1.012 -23.287 19.780 1.00 51.24 H new ATOM 0 HD21 ASN A 581 1.585 -20.972 20.537 1.00 70.01 H new ATOM 0 HD22 ASN A 581 0.648 -20.155 21.793 1.00 70.01 H new ATOM 604 N PRO A 582 -0.048 -24.655 22.817 1.00 62.54 N ATOM 605 CA PRO A 582 -0.867 -25.393 23.763 1.00 12.12 C ATOM 606 C PRO A 582 -2.327 -24.938 23.696 1.00 64.33 C ATOM 607 O PRO A 582 -3.237 -25.765 23.657 1.00 2.23 O ATOM 608 CB PRO A 582 -0.228 -25.139 25.119 1.00 41.45 C ATOM 609 CG PRO A 582 0.640 -23.903 24.945 1.00 50.22 C ATOM 610 CD PRO A 582 0.792 -23.646 23.454 1.00 0.14 C ATOM 0 HA PRO A 582 -0.900 -26.461 23.547 1.00 12.12 H new ATOM 0 HB2 PRO A 582 -0.987 -24.979 25.885 1.00 41.45 H new ATOM 0 HB3 PRO A 582 0.369 -25.994 25.436 1.00 41.45 H new ATOM 0 HG2 PRO A 582 0.183 -23.044 25.436 1.00 50.22 H new ATOM 0 HG3 PRO A 582 1.615 -24.053 25.408 1.00 50.22 H new ATOM 0 HD2 PRO A 582 0.469 -22.639 23.191 1.00 0.14 H new ATOM 0 HD3 PRO A 582 1.831 -23.740 23.140 1.00 0.14 H new ATOM 618 N ASN A 583 -2.504 -23.625 23.683 1.00 31.41 N ATOM 619 CA ASN A 583 -3.837 -23.051 23.621 1.00 53.03 C ATOM 620 C ASN A 583 -4.577 -23.621 22.409 1.00 52.33 C ATOM 621 O ASN A 583 -5.805 -23.571 22.346 1.00 4.15 O ATOM 622 CB ASN A 583 -3.775 -21.530 23.465 1.00 71.33 C ATOM 623 CG ASN A 583 -2.706 -20.929 24.378 1.00 4.35 C ATOM 624 OD1 ASN A 583 -1.515 -21.123 24.196 1.00 71.41 O ATOM 625 ND2 ASN A 583 -3.195 -20.189 25.369 1.00 3.25 N ATOM 0 H ASN A 583 -1.747 -22.943 23.714 1.00 31.41 H new ATOM 0 HA ASN A 583 -4.354 -23.298 24.548 1.00 53.03 H new ATOM 0 HB2 ASN A 583 -3.557 -21.276 22.428 1.00 71.33 H new ATOM 0 HB3 ASN A 583 -4.747 -21.097 23.702 1.00 71.33 H new ATOM 0 HD21 ASN A 583 -2.562 -19.744 26.033 1.00 3.25 H new ATOM 0 HD22 ASN A 583 -4.203 -20.067 25.465 1.00 3.25 H new ATOM 632 N PHE A 584 -3.799 -24.149 21.475 1.00 13.13 N ATOM 633 CA PHE A 584 -4.365 -24.727 20.269 1.00 74.54 C ATOM 634 C PHE A 584 -5.327 -25.868 20.607 1.00 75.24 C ATOM 635 O PHE A 584 -6.414 -25.958 20.037 1.00 62.24 O ATOM 636 CB PHE A 584 -3.199 -25.285 19.450 1.00 32.34 C ATOM 637 CG PHE A 584 -3.390 -25.171 17.937 1.00 40.44 C ATOM 638 CD1 PHE A 584 -3.600 -23.953 17.368 1.00 33.21 C ATOM 639 CD2 PHE A 584 -3.349 -26.286 17.160 1.00 72.13 C ATOM 640 CE1 PHE A 584 -3.777 -23.847 15.963 1.00 13.32 C ATOM 641 CE2 PHE A 584 -3.526 -26.180 15.755 1.00 53.42 C ATOM 642 CZ PHE A 584 -3.737 -24.962 15.186 1.00 25.22 C ATOM 0 H PHE A 584 -2.781 -24.188 21.530 1.00 13.13 H new ATOM 0 HA PHE A 584 -4.922 -23.968 19.719 1.00 74.54 H new ATOM 0 HB2 PHE A 584 -2.287 -24.759 19.731 1.00 32.34 H new ATOM 0 HB3 PHE A 584 -3.055 -26.334 19.710 1.00 32.34 H new ATOM 0 HD1 PHE A 584 -3.632 -23.067 17.985 1.00 33.21 H new ATOM 0 HD2 PHE A 584 -3.182 -27.253 17.612 1.00 72.13 H new ATOM 0 HE1 PHE A 584 -3.943 -22.880 15.511 1.00 13.32 H new ATOM 0 HE2 PHE A 584 -3.493 -27.066 15.138 1.00 53.42 H new ATOM 0 HZ PHE A 584 -3.873 -24.881 14.118 1.00 25.22 H new ATOM 652 N SER A 585 -4.894 -26.711 21.532 1.00 5.12 N ATOM 653 CA SER A 585 -5.703 -27.842 21.953 1.00 62.11 C ATOM 654 C SER A 585 -7.094 -27.363 22.372 1.00 72.12 C ATOM 655 O SER A 585 -8.059 -28.124 22.317 1.00 52.24 O ATOM 656 CB SER A 585 -5.034 -28.601 23.101 1.00 15.53 C ATOM 657 OG SER A 585 -4.558 -27.721 24.116 1.00 15.14 O ATOM 0 H SER A 585 -3.992 -26.634 22.002 1.00 5.12 H new ATOM 0 HA SER A 585 -5.800 -28.526 21.110 1.00 62.11 H new ATOM 0 HB2 SER A 585 -5.746 -29.304 23.535 1.00 15.53 H new ATOM 0 HB3 SER A 585 -4.203 -29.189 22.711 1.00 15.53 H new ATOM 0 HG SER A 585 -3.765 -27.245 23.791 1.00 15.14 H new ATOM 663 N ASN A 586 -7.153 -26.104 22.781 1.00 32.42 N ATOM 664 CA ASN A 586 -8.410 -25.515 23.209 1.00 14.13 C ATOM 665 C ASN A 586 -9.129 -24.920 21.996 1.00 21.24 C ATOM 666 O ASN A 586 -10.348 -24.759 22.010 1.00 13.34 O ATOM 667 CB ASN A 586 -8.175 -24.389 24.218 1.00 35.24 C ATOM 668 CG ASN A 586 -8.145 -24.932 25.648 1.00 31.34 C ATOM 669 OD1 ASN A 586 -9.121 -24.886 26.379 1.00 55.14 O ATOM 670 ND2 ASN A 586 -6.973 -25.448 26.006 1.00 23.23 N ATOM 0 H ASN A 586 -6.351 -25.476 22.825 1.00 32.42 H new ATOM 0 HA ASN A 586 -9.008 -26.298 23.675 1.00 14.13 H new ATOM 0 HB2 ASN A 586 -7.233 -23.887 23.996 1.00 35.24 H new ATOM 0 HB3 ASN A 586 -8.964 -23.642 24.125 1.00 35.24 H new ATOM 0 HD21 ASN A 586 -6.851 -25.836 26.941 1.00 23.23 H new ATOM 0 HD22 ASN A 586 -6.196 -25.455 25.345 1.00 23.23 H new ATOM 677 N TYR A 587 -8.343 -24.611 20.976 1.00 4.41 N ATOM 678 CA TYR A 587 -8.888 -24.037 19.758 1.00 75.24 C ATOM 679 C TYR A 587 -9.308 -25.133 18.776 1.00 61.31 C ATOM 680 O TYR A 587 -9.677 -24.845 17.638 1.00 4.14 O ATOM 681 CB TYR A 587 -7.758 -23.216 19.134 1.00 22.44 C ATOM 682 CG TYR A 587 -7.600 -21.818 19.735 1.00 53.14 C ATOM 683 CD1 TYR A 587 -8.686 -20.968 19.798 1.00 44.12 C ATOM 684 CD2 TYR A 587 -6.373 -21.406 20.213 1.00 63.41 C ATOM 685 CE1 TYR A 587 -8.537 -19.652 20.363 1.00 53.43 C ATOM 686 CE2 TYR A 587 -6.224 -20.090 20.778 1.00 74.22 C ATOM 687 CZ TYR A 587 -7.314 -19.278 20.825 1.00 50.32 C ATOM 688 OH TYR A 587 -7.174 -18.035 21.358 1.00 0.43 O ATOM 0 H TYR A 587 -7.332 -24.747 20.968 1.00 4.41 H new ATOM 0 HA TYR A 587 -9.769 -23.434 19.979 1.00 75.24 H new ATOM 0 HB2 TYR A 587 -6.820 -23.759 19.252 1.00 22.44 H new ATOM 0 HB3 TYR A 587 -7.940 -23.122 18.063 1.00 22.44 H new ATOM 0 HD1 TYR A 587 -9.647 -21.290 19.424 1.00 44.12 H new ATOM 0 HD2 TYR A 587 -5.524 -22.071 20.163 1.00 63.41 H new ATOM 0 HE1 TYR A 587 -9.378 -18.977 20.419 1.00 53.43 H new ATOM 0 HE2 TYR A 587 -5.269 -19.756 21.156 1.00 74.22 H new ATOM 0 HH TYR A 587 -7.167 -17.370 20.639 1.00 0.43 H new ATOM 698 N TYR A 588 -9.238 -26.368 19.252 1.00 45.15 N ATOM 699 CA TYR A 588 -9.605 -27.509 18.430 1.00 53.51 C ATOM 700 C TYR A 588 -9.787 -28.764 19.285 1.00 72.30 C ATOM 701 O TYR A 588 -9.267 -28.843 20.397 1.00 70.22 O ATOM 702 CB TYR A 588 -8.438 -27.727 17.466 1.00 61.45 C ATOM 703 CG TYR A 588 -7.294 -28.557 18.052 1.00 42.04 C ATOM 704 CD1 TYR A 588 -7.476 -29.901 18.306 1.00 30.04 C ATOM 705 CD2 TYR A 588 -6.079 -27.961 18.326 1.00 73.25 C ATOM 706 CE1 TYR A 588 -6.399 -30.682 18.858 1.00 12.21 C ATOM 707 CE2 TYR A 588 -5.002 -28.742 18.877 1.00 14.02 C ATOM 708 CZ TYR A 588 -5.216 -30.064 19.116 1.00 5.33 C ATOM 709 OH TYR A 588 -4.198 -30.801 19.637 1.00 34.13 O ATOM 0 H TYR A 588 -8.933 -26.603 20.196 1.00 45.15 H new ATOM 0 HA TYR A 588 -10.545 -27.322 17.912 1.00 53.51 H new ATOM 0 HB2 TYR A 588 -8.809 -28.221 16.568 1.00 61.45 H new ATOM 0 HB3 TYR A 588 -8.049 -26.757 17.158 1.00 61.45 H new ATOM 0 HD1 TYR A 588 -8.426 -30.367 18.091 1.00 30.04 H new ATOM 0 HD2 TYR A 588 -5.936 -26.909 18.127 1.00 73.25 H new ATOM 0 HE1 TYR A 588 -6.528 -31.735 19.062 1.00 12.21 H new ATOM 0 HE2 TYR A 588 -4.046 -28.289 19.095 1.00 14.02 H new ATOM 0 HH TYR A 588 -3.414 -30.228 19.768 1.00 34.13 H new ATOM 719 N ASN A 589 -10.527 -29.715 18.733 1.00 13.25 N ATOM 720 CA ASN A 589 -10.784 -30.963 19.432 1.00 53.13 C ATOM 721 C ASN A 589 -10.547 -32.135 18.477 1.00 55.43 C ATOM 722 O ASN A 589 -11.189 -32.228 17.431 1.00 11.44 O ATOM 723 CB ASN A 589 -12.233 -31.034 19.917 1.00 35.11 C ATOM 724 CG ASN A 589 -13.171 -30.304 18.953 1.00 31.22 C ATOM 725 OD1 ASN A 589 -13.140 -28.980 19.067 1.00 31.15 O flip ATOM 726 ND2 ASN A 589 -13.876 -30.904 18.158 1.00 1.43 N flip ATOM 0 H ASN A 589 -10.956 -29.646 17.810 1.00 13.25 H new ATOM 0 HA ASN A 589 -10.114 -31.014 20.290 1.00 53.13 H new ATOM 0 HB2 ASN A 589 -12.539 -32.076 20.008 1.00 35.11 H new ATOM 0 HB3 ASN A 589 -12.310 -30.591 20.910 1.00 35.11 H new ATOM 0 HD21 ASN A 589 -13.851 -31.923 18.122 1.00 1.43 H new ATOM 0 HD22 ASN A 589 -14.490 -30.386 17.529 1.00 1.43 H new ATOM 733 N VAL A 590 -9.624 -33.000 18.870 1.00 14.31 N ATOM 734 CA VAL A 590 -9.295 -34.162 18.062 1.00 2.41 C ATOM 735 C VAL A 590 -10.439 -35.174 18.142 1.00 21.33 C ATOM 736 O VAL A 590 -11.128 -35.259 19.158 1.00 51.53 O ATOM 737 CB VAL A 590 -7.950 -34.742 18.505 1.00 73.44 C ATOM 738 CG1 VAL A 590 -7.809 -36.199 18.058 1.00 22.05 C ATOM 739 CG2 VAL A 590 -6.789 -33.894 17.984 1.00 45.02 C ATOM 0 H VAL A 590 -9.093 -32.920 19.737 1.00 14.31 H new ATOM 0 HA VAL A 590 -9.184 -33.881 17.015 1.00 2.41 H new ATOM 0 HB VAL A 590 -7.917 -34.720 19.594 1.00 73.44 H new ATOM 0 HG11 VAL A 590 -6.845 -36.588 18.385 1.00 22.05 H new ATOM 0 HG12 VAL A 590 -8.609 -36.794 18.499 1.00 22.05 H new ATOM 0 HG13 VAL A 590 -7.873 -36.254 16.971 1.00 22.05 H new ATOM 0 HG21 VAL A 590 -5.845 -34.328 18.313 1.00 45.02 H new ATOM 0 HG22 VAL A 590 -6.817 -33.869 16.895 1.00 45.02 H new ATOM 0 HG23 VAL A 590 -6.877 -32.879 18.372 1.00 45.02 H new ATOM 749 N SER A 591 -10.606 -35.918 17.058 1.00 2.44 N ATOM 750 CA SER A 591 -11.655 -36.921 16.993 1.00 25.22 C ATOM 751 C SER A 591 -11.393 -38.020 18.026 1.00 44.52 C ATOM 752 O SER A 591 -10.246 -38.406 18.249 1.00 14.12 O ATOM 753 CB SER A 591 -11.754 -37.524 15.591 1.00 65.14 C ATOM 754 OG SER A 591 -12.768 -38.521 15.509 1.00 72.35 O ATOM 0 H SER A 591 -10.032 -35.846 16.218 1.00 2.44 H new ATOM 0 HA SER A 591 -12.605 -36.437 17.219 1.00 25.22 H new ATOM 0 HB2 SER A 591 -11.964 -36.734 14.870 1.00 65.14 H new ATOM 0 HB3 SER A 591 -10.794 -37.960 15.315 1.00 65.14 H new ATOM 0 HG SER A 591 -12.383 -39.398 15.718 1.00 72.35 H new ATOM 760 N ARG A 592 -12.474 -38.491 18.628 1.00 74.52 N ATOM 761 CA ARG A 592 -12.376 -39.538 19.631 1.00 10.33 C ATOM 762 C ARG A 592 -11.262 -40.521 19.266 1.00 53.03 C ATOM 763 O ARG A 592 -10.334 -40.730 20.045 1.00 61.42 O ATOM 764 CB ARG A 592 -13.696 -40.299 19.764 1.00 33.40 C ATOM 765 CG ARG A 592 -14.547 -40.146 18.502 1.00 61.15 C ATOM 766 CD ARG A 592 -15.583 -41.267 18.399 1.00 61.41 C ATOM 767 NE ARG A 592 -15.104 -42.315 17.469 1.00 15.13 N ATOM 768 CZ ARG A 592 -15.882 -43.304 16.979 1.00 43.34 C ATOM 769 NH1 ARG A 592 -17.184 -43.388 17.326 1.00 64.14 N ATOM 770 NH2 ARG A 592 -15.349 -44.187 16.154 1.00 14.24 N ATOM 0 H ARG A 592 -13.423 -38.167 18.441 1.00 74.52 H new ATOM 0 HA ARG A 592 -12.147 -39.063 20.585 1.00 10.33 H new ATOM 0 HB2 ARG A 592 -13.494 -41.355 19.945 1.00 33.40 H new ATOM 0 HB3 ARG A 592 -14.249 -39.927 20.627 1.00 33.40 H new ATOM 0 HG2 ARG A 592 -15.052 -39.180 18.514 1.00 61.15 H new ATOM 0 HG3 ARG A 592 -13.904 -40.158 17.622 1.00 61.15 H new ATOM 0 HD2 ARG A 592 -15.764 -41.698 19.384 1.00 61.41 H new ATOM 0 HD3 ARG A 592 -16.533 -40.864 18.048 1.00 61.41 H new ATOM 0 HE ARG A 592 -14.126 -42.288 17.181 1.00 15.13 H new ATOM 0 HH11 ARG A 592 -17.587 -42.701 17.963 1.00 64.14 H new ATOM 0 HH12 ARG A 592 -17.764 -44.138 16.951 1.00 64.14 H new ATOM 0 HH21 ARG A 592 -14.365 -44.115 15.897 1.00 14.24 H new ATOM 0 HH22 ARG A 592 -15.922 -44.941 15.774 1.00 14.24 H new ATOM 783 N ASP A 593 -11.392 -41.098 18.080 1.00 22.12 N ATOM 784 CA ASP A 593 -10.408 -42.054 17.602 1.00 61.32 C ATOM 785 C ASP A 593 -9.031 -41.389 17.568 1.00 4.25 C ATOM 786 O ASP A 593 -8.924 -40.186 17.337 1.00 40.44 O ATOM 787 CB ASP A 593 -10.740 -42.524 16.184 1.00 33.13 C ATOM 788 CG ASP A 593 -12.234 -42.659 15.881 1.00 21.34 C ATOM 789 OD1 ASP A 593 -12.744 -43.768 15.663 1.00 25.40 O ATOM 790 OD2 ASP A 593 -12.891 -41.549 15.875 1.00 74.45 O ATOM 0 H ASP A 593 -12.164 -40.922 17.436 1.00 22.12 H new ATOM 0 HA ASP A 593 -10.415 -42.910 18.277 1.00 61.32 H new ATOM 0 HB2 ASP A 593 -10.302 -41.823 15.473 1.00 33.13 H new ATOM 0 HB3 ASP A 593 -10.262 -43.489 16.016 1.00 33.13 H new ATOM 796 N PRO A 594 -7.984 -42.222 17.810 1.00 65.51 N ATOM 797 CA PRO A 594 -6.617 -41.728 17.810 1.00 54.42 C ATOM 798 C PRO A 594 -6.128 -41.469 16.383 1.00 22.43 C ATOM 799 O PRO A 594 -6.282 -40.367 15.860 1.00 13.12 O ATOM 800 CB PRO A 594 -5.812 -42.796 18.530 1.00 23.40 C ATOM 801 CG PRO A 594 -6.664 -44.055 18.496 1.00 41.43 C ATOM 802 CD PRO A 594 -8.072 -43.653 18.088 1.00 10.13 C ATOM 0 HA PRO A 594 -6.517 -40.767 18.314 1.00 54.42 H new ATOM 0 HB2 PRO A 594 -4.853 -42.960 18.038 1.00 23.40 H new ATOM 0 HB3 PRO A 594 -5.597 -42.498 19.556 1.00 23.40 H new ATOM 0 HG2 PRO A 594 -6.253 -44.776 17.789 1.00 41.43 H new ATOM 0 HG3 PRO A 594 -6.673 -44.537 19.474 1.00 41.43 H new ATOM 0 HD2 PRO A 594 -8.403 -44.207 17.210 1.00 10.13 H new ATOM 0 HD3 PRO A 594 -8.788 -43.858 18.883 1.00 10.13 H new ATOM 810 N VAL A 595 -5.547 -42.505 15.795 1.00 55.34 N ATOM 811 CA VAL A 595 -5.034 -42.404 14.439 1.00 55.12 C ATOM 812 C VAL A 595 -5.981 -43.134 13.484 1.00 15.12 C ATOM 813 O VAL A 595 -6.335 -44.289 13.717 1.00 2.23 O ATOM 814 CB VAL A 595 -3.601 -42.935 14.381 1.00 62.20 C ATOM 815 CG1 VAL A 595 -3.042 -42.852 12.959 1.00 12.21 C ATOM 816 CG2 VAL A 595 -2.700 -42.191 15.369 1.00 50.24 C ATOM 0 H VAL A 595 -5.420 -43.418 16.232 1.00 55.34 H new ATOM 0 HA VAL A 595 -4.993 -41.362 14.123 1.00 55.12 H new ATOM 0 HB VAL A 595 -3.621 -43.985 14.672 1.00 62.20 H new ATOM 0 HG11 VAL A 595 -2.022 -43.236 12.946 1.00 12.21 H new ATOM 0 HG12 VAL A 595 -3.662 -43.447 12.289 1.00 12.21 H new ATOM 0 HG13 VAL A 595 -3.043 -41.814 12.628 1.00 12.21 H new ATOM 0 HG21 VAL A 595 -1.687 -42.588 15.307 1.00 50.24 H new ATOM 0 HG22 VAL A 595 -2.689 -41.129 15.123 1.00 50.24 H new ATOM 0 HG23 VAL A 595 -3.081 -42.325 16.381 1.00 50.24 H new ATOM 826 N VAL A 596 -6.366 -42.430 12.430 1.00 45.14 N ATOM 827 CA VAL A 596 -7.265 -42.996 11.439 1.00 63.53 C ATOM 828 C VAL A 596 -6.759 -42.646 10.038 1.00 62.32 C ATOM 829 O VAL A 596 -7.267 -41.723 9.403 1.00 22.22 O ATOM 830 CB VAL A 596 -8.695 -42.517 11.695 1.00 41.00 C ATOM 831 CG1 VAL A 596 -9.714 -43.483 11.087 1.00 11.41 C ATOM 832 CG2 VAL A 596 -8.948 -42.323 13.191 1.00 11.33 C ATOM 0 H VAL A 596 -6.072 -41.472 12.241 1.00 45.14 H new ATOM 0 HA VAL A 596 -7.282 -44.083 11.516 1.00 63.53 H new ATOM 0 HB VAL A 596 -8.817 -41.550 11.206 1.00 41.00 H new ATOM 0 HG11 VAL A 596 -10.723 -43.119 11.283 1.00 11.41 H new ATOM 0 HG12 VAL A 596 -9.555 -43.549 10.011 1.00 11.41 H new ATOM 0 HG13 VAL A 596 -9.591 -44.470 11.533 1.00 11.41 H new ATOM 0 HG21 VAL A 596 -9.972 -41.982 13.346 1.00 11.33 H new ATOM 0 HG22 VAL A 596 -8.798 -43.269 13.711 1.00 11.33 H new ATOM 0 HG23 VAL A 596 -8.255 -41.579 13.584 1.00 11.33 H new ATOM 842 N ILE A 597 -5.764 -43.402 9.597 1.00 72.24 N ATOM 843 CA ILE A 597 -5.184 -43.183 8.283 1.00 61.45 C ATOM 844 C ILE A 597 -4.834 -44.533 7.653 1.00 74.31 C ATOM 845 O ILE A 597 -4.763 -45.546 8.347 1.00 22.22 O ATOM 846 CB ILE A 597 -3.997 -42.222 8.374 1.00 13.22 C ATOM 847 CG1 ILE A 597 -4.472 -40.769 8.431 1.00 54.55 C ATOM 848 CG2 ILE A 597 -3.010 -42.458 7.229 1.00 33.32 C ATOM 849 CD1 ILE A 597 -3.349 -39.809 8.035 1.00 43.43 C ATOM 0 H ILE A 597 -5.345 -44.167 10.126 1.00 72.24 H new ATOM 0 HA ILE A 597 -5.906 -42.700 7.624 1.00 61.45 H new ATOM 0 HB ILE A 597 -3.465 -42.424 9.304 1.00 13.22 H new ATOM 0 HG12 ILE A 597 -5.323 -40.634 7.763 1.00 54.55 H new ATOM 0 HG13 ILE A 597 -4.817 -40.535 9.438 1.00 54.55 H new ATOM 0 HG21 ILE A 597 -2.176 -41.762 7.318 1.00 33.32 H new ATOM 0 HG22 ILE A 597 -2.635 -43.481 7.276 1.00 33.32 H new ATOM 0 HG23 ILE A 597 -3.514 -42.300 6.276 1.00 33.32 H new ATOM 0 HD11 ILE A 597 -3.713 -38.783 8.084 1.00 43.43 H new ATOM 0 HD12 ILE A 597 -2.509 -39.929 8.720 1.00 43.43 H new ATOM 0 HD13 ILE A 597 -3.023 -40.030 7.019 1.00 43.43 H new ATOM 861 N ASN A 598 -4.626 -44.504 6.345 1.00 41.21 N ATOM 862 CA ASN A 598 -4.286 -45.713 5.614 1.00 45.42 C ATOM 863 C ASN A 598 -2.764 -45.860 5.561 1.00 44.12 C ATOM 864 O ASN A 598 -2.208 -46.804 6.120 1.00 61.22 O ATOM 865 CB ASN A 598 -4.805 -45.651 4.176 1.00 21.41 C ATOM 866 CG ASN A 598 -6.306 -45.943 4.122 1.00 1.04 C ATOM 867 OD1 ASN A 598 -6.946 -46.226 5.122 1.00 2.40 O ATOM 868 ND2 ASN A 598 -6.830 -45.859 2.903 1.00 11.21 N ATOM 0 H ASN A 598 -4.686 -43.662 5.772 1.00 41.21 H new ATOM 0 HA ASN A 598 -4.745 -46.558 6.127 1.00 45.42 H new ATOM 0 HB2 ASN A 598 -4.607 -44.665 3.756 1.00 21.41 H new ATOM 0 HB3 ASN A 598 -4.268 -46.373 3.560 1.00 21.41 H new ATOM 0 HD21 ASN A 598 -7.825 -46.036 2.762 1.00 11.21 H new ATOM 0 HD22 ASN A 598 -6.237 -45.617 2.109 1.00 11.21 H new ATOM 875 N LYS A 599 -2.133 -44.912 4.884 1.00 44.14 N ATOM 876 CA LYS A 599 -0.686 -44.924 4.750 1.00 23.33 C ATOM 877 C LYS A 599 -0.061 -44.211 5.951 1.00 52.30 C ATOM 878 O LYS A 599 -0.557 -43.173 6.387 1.00 4.15 O ATOM 879 CB LYS A 599 -0.267 -44.338 3.400 1.00 20.15 C ATOM 880 CG LYS A 599 1.192 -43.878 3.431 1.00 12.45 C ATOM 881 CD LYS A 599 1.296 -42.415 3.868 1.00 11.11 C ATOM 882 CE LYS A 599 2.567 -41.767 3.316 1.00 24.23 C ATOM 883 NZ LYS A 599 2.369 -40.312 3.131 1.00 62.35 N ATOM 0 H LYS A 599 -2.597 -44.130 4.422 1.00 44.14 H new ATOM 0 HA LYS A 599 -0.312 -45.948 4.756 1.00 23.33 H new ATOM 0 HB2 LYS A 599 -0.400 -45.086 2.618 1.00 20.15 H new ATOM 0 HB3 LYS A 599 -0.912 -43.496 3.149 1.00 20.15 H new ATOM 0 HG2 LYS A 599 1.761 -44.507 4.115 1.00 12.45 H new ATOM 0 HG3 LYS A 599 1.636 -43.999 2.443 1.00 12.45 H new ATOM 0 HD2 LYS A 599 0.422 -41.865 3.519 1.00 11.11 H new ATOM 0 HD3 LYS A 599 1.297 -42.356 4.956 1.00 11.11 H new ATOM 0 HE2 LYS A 599 3.398 -41.943 3.999 1.00 24.23 H new ATOM 0 HE3 LYS A 599 2.833 -42.228 2.365 1.00 24.23 H new ATOM 0 HZ1 LYS A 599 3.181 -39.914 2.617 1.00 62.35 H new ATOM 0 HZ2 LYS A 599 1.499 -40.147 2.586 1.00 62.35 H new ATOM 0 HZ3 LYS A 599 2.288 -39.852 4.060 1.00 62.35 H new ATOM 896 N VAL A 600 1.017 -44.796 6.451 1.00 45.50 N ATOM 897 CA VAL A 600 1.715 -44.229 7.593 1.00 51.43 C ATOM 898 C VAL A 600 2.982 -43.520 7.110 1.00 22.03 C ATOM 899 O VAL A 600 3.531 -43.865 6.065 1.00 54.34 O ATOM 900 CB VAL A 600 1.997 -45.319 8.628 1.00 61.41 C ATOM 901 CG1 VAL A 600 2.690 -44.738 9.862 1.00 62.03 C ATOM 902 CG2 VAL A 600 0.712 -46.053 9.016 1.00 53.04 C ATOM 0 H VAL A 600 1.425 -45.657 6.087 1.00 45.50 H new ATOM 0 HA VAL A 600 1.094 -43.483 8.088 1.00 51.43 H new ATOM 0 HB VAL A 600 2.673 -46.044 8.174 1.00 61.41 H new ATOM 0 HG11 VAL A 600 2.879 -45.534 10.582 1.00 62.03 H new ATOM 0 HG12 VAL A 600 3.636 -44.283 9.568 1.00 62.03 H new ATOM 0 HG13 VAL A 600 2.050 -43.982 10.317 1.00 62.03 H new ATOM 0 HG21 VAL A 600 0.941 -46.823 9.753 1.00 53.04 H new ATOM 0 HG22 VAL A 600 0.002 -45.344 9.441 1.00 53.04 H new ATOM 0 HG23 VAL A 600 0.276 -46.516 8.131 1.00 53.04 H new ATOM 912 N PHE A 601 3.411 -42.543 7.895 1.00 15.44 N ATOM 913 CA PHE A 601 4.603 -41.782 7.561 1.00 20.54 C ATOM 914 C PHE A 601 5.782 -42.196 8.444 1.00 21.05 C ATOM 915 O PHE A 601 5.601 -42.891 9.443 1.00 14.32 O ATOM 916 CB PHE A 601 4.281 -40.309 7.819 1.00 72.15 C ATOM 917 CG PHE A 601 3.032 -39.809 7.090 1.00 41.25 C ATOM 918 CD1 PHE A 601 1.801 -40.010 7.633 1.00 44.34 C ATOM 919 CD2 PHE A 601 3.153 -39.163 5.899 1.00 73.55 C ATOM 920 CE1 PHE A 601 0.643 -39.545 6.956 1.00 74.50 C ATOM 921 CE2 PHE A 601 1.994 -38.699 5.222 1.00 72.31 C ATOM 922 CZ PHE A 601 0.763 -38.900 5.765 1.00 61.11 C ATOM 0 H PHE A 601 2.954 -42.261 8.762 1.00 15.44 H new ATOM 0 HA PHE A 601 4.880 -41.962 6.522 1.00 20.54 H new ATOM 0 HB2 PHE A 601 4.149 -40.159 8.890 1.00 72.15 H new ATOM 0 HB3 PHE A 601 5.134 -39.702 7.515 1.00 72.15 H new ATOM 0 HD1 PHE A 601 1.705 -40.523 8.578 1.00 44.34 H new ATOM 0 HD2 PHE A 601 4.130 -39.003 5.468 1.00 73.55 H new ATOM 0 HE1 PHE A 601 -0.334 -39.704 7.387 1.00 74.50 H new ATOM 0 HE2 PHE A 601 2.090 -38.187 4.276 1.00 72.31 H new ATOM 0 HZ PHE A 601 -0.119 -38.547 5.250 1.00 61.11 H new ATOM 932 N LYS A 602 6.964 -41.751 8.044 1.00 23.53 N ATOM 933 CA LYS A 602 8.173 -42.067 8.787 1.00 51.32 C ATOM 934 C LYS A 602 8.678 -40.805 9.489 1.00 23.04 C ATOM 935 O LYS A 602 8.749 -40.760 10.717 1.00 40.44 O ATOM 936 CB LYS A 602 9.211 -42.718 7.870 1.00 54.40 C ATOM 937 CG LYS A 602 10.101 -43.687 8.651 1.00 52.34 C ATOM 938 CD LYS A 602 9.390 -45.022 8.878 1.00 34.14 C ATOM 939 CE LYS A 602 10.086 -45.834 9.972 1.00 32.42 C ATOM 940 NZ LYS A 602 9.785 -45.271 11.307 1.00 13.13 N ATOM 0 H LYS A 602 7.111 -41.174 7.215 1.00 23.53 H new ATOM 0 HA LYS A 602 7.962 -42.802 9.563 1.00 51.32 H new ATOM 0 HB2 LYS A 602 8.706 -43.251 7.064 1.00 54.40 H new ATOM 0 HB3 LYS A 602 9.826 -41.947 7.406 1.00 54.40 H new ATOM 0 HG2 LYS A 602 11.030 -43.854 8.105 1.00 52.34 H new ATOM 0 HG3 LYS A 602 10.370 -43.246 9.611 1.00 52.34 H new ATOM 0 HD2 LYS A 602 8.352 -44.842 9.158 1.00 34.14 H new ATOM 0 HD3 LYS A 602 9.376 -45.593 7.950 1.00 34.14 H new ATOM 0 HE2 LYS A 602 9.758 -46.872 9.927 1.00 32.42 H new ATOM 0 HE3 LYS A 602 11.163 -45.832 9.805 1.00 32.42 H new ATOM 0 HZ1 LYS A 602 10.027 -45.968 12.040 1.00 13.13 H new ATOM 0 HZ2 LYS A 602 10.344 -44.406 11.453 1.00 13.13 H new ATOM 0 HZ3 LYS A 602 8.772 -45.043 11.367 1.00 13.13 H new ATOM 953 N ASP A 603 9.017 -39.811 8.681 1.00 72.41 N ATOM 954 CA ASP A 603 9.514 -38.552 9.210 1.00 74.53 C ATOM 955 C ASP A 603 8.683 -38.155 10.432 1.00 45.42 C ATOM 956 O ASP A 603 9.180 -37.477 11.330 1.00 23.13 O ATOM 957 CB ASP A 603 9.394 -37.434 8.173 1.00 61.14 C ATOM 958 CG ASP A 603 10.233 -37.632 6.908 1.00 31.15 C ATOM 959 OD1 ASP A 603 11.470 -37.700 6.967 1.00 53.52 O ATOM 960 OD2 ASP A 603 9.557 -37.719 5.813 1.00 35.45 O ATOM 0 H ASP A 603 8.957 -39.852 7.664 1.00 72.41 H new ATOM 0 HA ASP A 603 10.563 -38.687 9.475 1.00 74.53 H new ATOM 0 HB2 ASP A 603 8.347 -37.337 7.885 1.00 61.14 H new ATOM 0 HB3 ASP A 603 9.685 -36.493 8.640 1.00 61.14 H new ATOM 966 N TRP A 604 7.433 -38.593 10.426 1.00 1.41 N ATOM 967 CA TRP A 604 6.529 -38.291 11.523 1.00 3.41 C ATOM 968 C TRP A 604 5.423 -39.347 11.529 1.00 72.34 C ATOM 969 O TRP A 604 5.409 -40.242 10.684 1.00 3.42 O ATOM 970 CB TRP A 604 5.992 -36.863 11.413 1.00 14.51 C ATOM 971 CG TRP A 604 5.273 -36.568 10.095 1.00 35.11 C ATOM 972 CD1 TRP A 604 5.040 -37.407 9.077 1.00 63.35 C ATOM 973 CD2 TRP A 604 4.698 -35.307 9.692 1.00 34.14 C ATOM 974 NE1 TRP A 604 4.361 -36.782 8.051 1.00 73.11 N ATOM 975 CE2 TRP A 604 4.146 -35.464 8.438 1.00 74.45 C ATOM 976 CE3 TRP A 604 4.646 -34.074 10.366 1.00 35.34 C ATOM 977 CZ2 TRP A 604 3.502 -34.430 7.748 1.00 42.22 C ATOM 978 CZ3 TRP A 604 3.999 -33.050 9.664 1.00 62.34 C ATOM 979 CH2 TRP A 604 3.438 -33.193 8.400 1.00 45.52 C ATOM 0 H TRP A 604 7.025 -39.155 9.679 1.00 1.41 H new ATOM 0 HA TRP A 604 7.054 -38.332 12.478 1.00 3.41 H new ATOM 0 HB2 TRP A 604 5.305 -36.680 12.239 1.00 14.51 H new ATOM 0 HB3 TRP A 604 6.821 -36.164 11.527 1.00 14.51 H new ATOM 0 HD1 TRP A 604 5.345 -38.443 9.061 1.00 63.35 H new ATOM 0 HE1 TRP A 604 4.070 -37.208 7.171 1.00 73.11 H new ATOM 0 HE3 TRP A 604 5.072 -33.928 11.348 1.00 35.34 H new ATOM 0 HZ2 TRP A 604 3.078 -34.579 6.766 1.00 42.22 H new ATOM 0 HZ3 TRP A 604 3.931 -32.082 10.137 1.00 62.34 H new ATOM 0 HH2 TRP A 604 2.955 -32.353 7.923 1.00 45.52 H new ATOM 990 N LYS A 605 4.522 -39.209 12.490 1.00 73.30 N ATOM 991 CA LYS A 605 3.414 -40.141 12.617 1.00 52.14 C ATOM 992 C LYS A 605 2.094 -39.375 12.509 1.00 51.32 C ATOM 993 O LYS A 605 2.027 -38.195 12.849 1.00 4.33 O ATOM 994 CB LYS A 605 3.546 -40.960 13.902 1.00 4.44 C ATOM 995 CG LYS A 605 3.447 -40.061 15.137 1.00 74.40 C ATOM 996 CD LYS A 605 3.160 -40.886 16.393 1.00 32.23 C ATOM 997 CE LYS A 605 1.654 -41.016 16.632 1.00 62.20 C ATOM 998 NZ LYS A 605 1.355 -42.250 17.392 1.00 34.15 N ATOM 0 H LYS A 605 4.536 -38.466 13.188 1.00 73.30 H new ATOM 0 HA LYS A 605 3.431 -40.865 11.802 1.00 52.14 H new ATOM 0 HB2 LYS A 605 2.764 -41.719 13.936 1.00 4.44 H new ATOM 0 HB3 LYS A 605 4.501 -41.486 13.906 1.00 4.44 H new ATOM 0 HG2 LYS A 605 4.378 -39.509 15.265 1.00 74.40 H new ATOM 0 HG3 LYS A 605 2.657 -39.324 14.993 1.00 74.40 H new ATOM 0 HD2 LYS A 605 3.602 -41.877 16.290 1.00 32.23 H new ATOM 0 HD3 LYS A 605 3.630 -40.415 17.257 1.00 32.23 H new ATOM 0 HE2 LYS A 605 1.290 -40.147 17.180 1.00 62.20 H new ATOM 0 HE3 LYS A 605 1.128 -41.033 15.677 1.00 62.20 H new ATOM 0 HZ1 LYS A 605 0.329 -42.323 17.546 1.00 34.15 H new ATOM 0 HZ2 LYS A 605 1.684 -43.077 16.854 1.00 34.15 H new ATOM 0 HZ3 LYS A 605 1.841 -42.218 18.311 1.00 34.15 H new ATOM 1011 N PRO A 606 1.049 -40.096 12.021 1.00 11.32 N ATOM 1012 CA PRO A 606 -0.265 -39.496 11.864 1.00 34.43 C ATOM 1013 C PRO A 606 -0.961 -39.338 13.218 1.00 72.42 C ATOM 1014 O PRO A 606 -0.838 -40.200 14.087 1.00 10.43 O ATOM 1015 CB PRO A 606 -1.010 -40.424 10.918 1.00 13.11 C ATOM 1016 CG PRO A 606 -0.256 -41.743 10.948 1.00 61.21 C ATOM 1017 CD PRO A 606 1.091 -41.495 11.608 1.00 73.32 C ATOM 0 HA PRO A 606 -0.221 -38.486 11.457 1.00 34.43 H new ATOM 0 HB2 PRO A 606 -2.044 -40.558 11.236 1.00 13.11 H new ATOM 0 HB3 PRO A 606 -1.038 -40.013 9.909 1.00 13.11 H new ATOM 0 HG2 PRO A 606 -0.820 -42.493 11.502 1.00 61.21 H new ATOM 0 HG3 PRO A 606 -0.121 -42.128 9.937 1.00 61.21 H new ATOM 0 HD2 PRO A 606 1.241 -42.156 12.462 1.00 73.32 H new ATOM 0 HD3 PRO A 606 1.912 -41.679 10.915 1.00 73.32 H new ATOM 1025 N GLY A 607 -1.677 -38.232 13.353 1.00 10.25 N ATOM 1026 CA GLY A 607 -2.393 -37.950 14.586 1.00 3.03 C ATOM 1027 C GLY A 607 -3.897 -38.166 14.409 1.00 61.32 C ATOM 1028 O GLY A 607 -4.334 -39.265 14.071 1.00 70.23 O ATOM 0 H GLY A 607 -1.777 -37.520 12.629 1.00 10.25 H new ATOM 0 HA2 GLY A 607 -2.021 -38.595 15.382 1.00 3.03 H new ATOM 0 HA3 GLY A 607 -2.204 -36.922 14.894 1.00 3.03 H new ATOM 1032 N GLY A 608 -4.648 -37.100 14.645 1.00 64.41 N ATOM 1033 CA GLY A 608 -6.094 -37.160 14.515 1.00 4.23 C ATOM 1034 C GLY A 608 -6.638 -35.889 13.861 1.00 52.43 C ATOM 1035 O GLY A 608 -6.041 -34.820 13.980 1.00 63.04 O ATOM 0 H GLY A 608 -4.282 -36.190 14.925 1.00 64.41 H new ATOM 0 HA2 GLY A 608 -6.373 -38.029 13.919 1.00 4.23 H new ATOM 0 HA3 GLY A 608 -6.546 -37.290 15.498 1.00 4.23 H new ATOM 1039 N VAL A 609 -7.766 -36.046 13.184 1.00 72.41 N ATOM 1040 CA VAL A 609 -8.398 -34.925 12.510 1.00 11.44 C ATOM 1041 C VAL A 609 -8.662 -33.810 13.524 1.00 12.42 C ATOM 1042 O VAL A 609 -9.233 -34.054 14.586 1.00 2.22 O ATOM 1043 CB VAL A 609 -9.666 -35.392 11.792 1.00 64.00 C ATOM 1044 CG1 VAL A 609 -10.317 -34.240 11.025 1.00 53.03 C ATOM 1045 CG2 VAL A 609 -9.366 -36.570 10.863 1.00 52.04 C ATOM 0 H VAL A 609 -8.259 -36.934 13.088 1.00 72.41 H new ATOM 0 HA VAL A 609 -7.738 -34.519 11.743 1.00 11.44 H new ATOM 0 HB VAL A 609 -10.374 -35.733 12.548 1.00 64.00 H new ATOM 0 HG11 VAL A 609 -11.216 -34.599 10.524 1.00 53.03 H new ATOM 0 HG12 VAL A 609 -10.582 -33.444 11.721 1.00 53.03 H new ATOM 0 HG13 VAL A 609 -9.617 -33.855 10.283 1.00 53.03 H new ATOM 0 HG21 VAL A 609 -10.283 -36.883 10.365 1.00 52.04 H new ATOM 0 HG22 VAL A 609 -8.633 -36.267 10.116 1.00 52.04 H new ATOM 0 HG23 VAL A 609 -8.968 -37.401 11.446 1.00 52.04 H new ATOM 1055 N ILE A 610 -8.235 -32.609 13.161 1.00 64.53 N ATOM 1056 CA ILE A 610 -8.418 -31.456 14.025 1.00 23.24 C ATOM 1057 C ILE A 610 -9.590 -30.619 13.510 1.00 41.31 C ATOM 1058 O ILE A 610 -9.785 -30.496 12.302 1.00 55.42 O ATOM 1059 CB ILE A 610 -7.111 -30.671 14.155 1.00 10.11 C ATOM 1060 CG1 ILE A 610 -5.900 -31.594 14.008 1.00 23.14 C ATOM 1061 CG2 ILE A 610 -7.074 -29.880 15.465 1.00 71.53 C ATOM 1062 CD1 ILE A 610 -4.630 -30.920 14.532 1.00 41.33 C ATOM 0 H ILE A 610 -7.762 -32.410 12.279 1.00 64.53 H new ATOM 0 HA ILE A 610 -8.673 -31.774 15.036 1.00 23.24 H new ATOM 0 HB ILE A 610 -7.065 -29.948 13.341 1.00 10.11 H new ATOM 0 HG12 ILE A 610 -6.076 -32.521 14.554 1.00 23.14 H new ATOM 0 HG13 ILE A 610 -5.768 -31.862 12.960 1.00 23.14 H new ATOM 0 HG21 ILE A 610 -6.135 -29.331 15.532 1.00 71.53 H new ATOM 0 HG22 ILE A 610 -7.907 -29.178 15.490 1.00 71.53 H new ATOM 0 HG23 ILE A 610 -7.154 -30.567 16.307 1.00 71.53 H new ATOM 0 HD11 ILE A 610 -3.784 -31.598 14.416 1.00 41.33 H new ATOM 0 HD12 ILE A 610 -4.443 -30.006 13.967 1.00 41.33 H new ATOM 0 HD13 ILE A 610 -4.757 -30.675 15.587 1.00 41.33 H new ATOM 1074 N SER A 611 -10.339 -30.065 14.452 1.00 51.32 N ATOM 1075 CA SER A 611 -11.487 -29.242 14.108 1.00 63.41 C ATOM 1076 C SER A 611 -11.519 -27.994 14.991 1.00 11.43 C ATOM 1077 O SER A 611 -11.638 -28.095 16.211 1.00 1.24 O ATOM 1078 CB SER A 611 -12.791 -30.029 14.253 1.00 61.03 C ATOM 1079 OG SER A 611 -12.586 -31.432 14.112 1.00 35.31 O ATOM 0 H SER A 611 -10.174 -30.170 15.453 1.00 51.32 H new ATOM 0 HA SER A 611 -11.391 -28.939 13.065 1.00 63.41 H new ATOM 0 HB2 SER A 611 -13.232 -29.823 15.228 1.00 61.03 H new ATOM 0 HB3 SER A 611 -13.505 -29.690 13.502 1.00 61.03 H new ATOM 0 HG SER A 611 -13.441 -31.899 14.213 1.00 35.31 H new ATOM 1085 N CYS A 612 -11.411 -26.845 14.341 1.00 54.44 N ATOM 1086 CA CYS A 612 -11.427 -25.577 15.052 1.00 61.54 C ATOM 1087 C CYS A 612 -12.623 -25.577 16.006 1.00 40.55 C ATOM 1088 O CYS A 612 -13.770 -25.666 15.569 1.00 5.12 O ATOM 1089 CB CYS A 612 -11.464 -24.389 14.089 1.00 42.03 C ATOM 1090 SG CYS A 612 -11.271 -22.752 14.883 1.00 42.31 S ATOM 0 H CYS A 612 -11.312 -26.765 13.329 1.00 54.44 H new ATOM 0 HA CYS A 612 -10.507 -25.466 15.625 1.00 61.54 H new ATOM 0 HB2 CYS A 612 -10.673 -24.514 13.349 1.00 42.03 H new ATOM 0 HB3 CYS A 612 -12.411 -24.406 13.549 1.00 42.03 H new ATOM 1095 N ARG A 613 -12.315 -25.475 17.290 1.00 3.50 N ATOM 1096 CA ARG A 613 -13.350 -25.461 18.309 1.00 12.24 C ATOM 1097 C ARG A 613 -14.176 -24.177 18.210 1.00 42.50 C ATOM 1098 O ARG A 613 -15.350 -24.159 18.577 1.00 62.22 O ATOM 1099 CB ARG A 613 -12.745 -25.563 19.711 1.00 42.52 C ATOM 1100 CG ARG A 613 -13.775 -25.195 20.781 1.00 62.40 C ATOM 1101 CD ARG A 613 -13.162 -25.273 22.181 1.00 52.31 C ATOM 1102 NE ARG A 613 -14.167 -25.773 23.146 1.00 65.32 N ATOM 1103 CZ ARG A 613 -13.881 -26.141 24.413 1.00 12.52 C ATOM 1104 NH1 ARG A 613 -12.617 -26.066 24.880 1.00 64.11 N ATOM 1105 NH2 ARG A 613 -14.857 -26.574 25.189 1.00 12.42 N ATOM 0 H ARG A 613 -11.363 -25.401 17.648 1.00 3.50 H new ATOM 0 HA ARG A 613 -13.993 -26.325 18.139 1.00 12.24 H new ATOM 0 HB2 ARG A 613 -12.384 -26.577 19.882 1.00 42.52 H new ATOM 0 HB3 ARG A 613 -11.883 -24.901 19.788 1.00 42.52 H new ATOM 0 HG2 ARG A 613 -14.149 -24.188 20.599 1.00 62.40 H new ATOM 0 HG3 ARG A 613 -14.629 -25.869 20.716 1.00 62.40 H new ATOM 0 HD2 ARG A 613 -12.295 -25.934 22.171 1.00 52.31 H new ATOM 0 HD3 ARG A 613 -12.809 -24.288 22.488 1.00 52.31 H new ATOM 0 HE ARG A 613 -15.136 -25.844 22.834 1.00 65.32 H new ATOM 0 HH11 ARG A 613 -11.869 -25.729 24.274 1.00 64.11 H new ATOM 0 HH12 ARG A 613 -12.410 -26.346 25.839 1.00 64.11 H new ATOM 0 HH21 ARG A 613 -15.810 -26.627 24.829 1.00 12.42 H new ATOM 0 HH22 ARG A 613 -14.658 -26.856 26.149 1.00 12.42 H new ATOM 1118 N ASN A 614 -13.530 -23.133 17.712 1.00 3.50 N ATOM 1119 CA ASN A 614 -14.190 -21.847 17.560 1.00 44.02 C ATOM 1120 C ASN A 614 -15.313 -21.974 16.529 1.00 33.32 C ATOM 1121 O ASN A 614 -16.385 -21.394 16.699 1.00 63.40 O ATOM 1122 CB ASN A 614 -13.211 -20.781 17.063 1.00 11.00 C ATOM 1123 CG ASN A 614 -12.045 -20.610 18.039 1.00 41.14 C ATOM 1124 OD1 ASN A 614 -10.981 -20.013 17.510 1.00 53.43 O flip ATOM 1125 ND2 ASN A 614 -12.107 -20.995 19.195 1.00 44.21 N flip ATOM 0 H ASN A 614 -12.556 -23.151 17.408 1.00 3.50 H new ATOM 0 HA ASN A 614 -14.582 -21.552 18.533 1.00 44.02 H new ATOM 0 HB2 ASN A 614 -12.830 -21.062 16.081 1.00 11.00 H new ATOM 0 HB3 ASN A 614 -13.732 -19.831 16.943 1.00 11.00 H new ATOM 0 HD21 ASN A 614 -12.955 -21.446 19.537 1.00 44.21 H new ATOM 0 HD22 ASN A 614 -11.311 -20.866 19.819 1.00 44.21 H new ATOM 1132 N CYS A 615 -15.030 -22.737 15.483 1.00 11.34 N ATOM 1133 CA CYS A 615 -16.004 -22.947 14.425 1.00 25.54 C ATOM 1134 C CYS A 615 -16.199 -24.454 14.246 1.00 73.20 C ATOM 1135 O CYS A 615 -17.216 -25.006 14.665 1.00 43.10 O ATOM 1136 CB CYS A 615 -15.579 -22.268 13.122 1.00 5.01 C ATOM 1137 SG CYS A 615 -14.432 -20.857 13.331 1.00 64.33 S ATOM 0 H CYS A 615 -14.141 -23.217 15.346 1.00 11.34 H new ATOM 0 HA CYS A 615 -16.953 -22.489 14.704 1.00 25.54 H new ATOM 0 HB2 CYS A 615 -15.106 -23.010 12.479 1.00 5.01 H new ATOM 0 HB3 CYS A 615 -16.471 -21.919 12.603 1.00 5.01 H new ATOM 1142 N GLY A 616 -15.210 -25.077 13.623 1.00 61.23 N ATOM 1143 CA GLY A 616 -15.261 -26.509 13.383 1.00 63.42 C ATOM 1144 C GLY A 616 -14.529 -26.875 12.090 1.00 51.14 C ATOM 1145 O GLY A 616 -14.174 -28.034 11.879 1.00 12.33 O ATOM 0 H GLY A 616 -14.368 -24.616 13.277 1.00 61.23 H new ATOM 0 HA2 GLY A 616 -14.810 -27.038 14.223 1.00 63.42 H new ATOM 0 HA3 GLY A 616 -16.300 -26.834 13.322 1.00 63.42 H new ATOM 1149 N GLU A 617 -14.325 -25.865 11.257 1.00 54.22 N ATOM 1150 CA GLU A 617 -13.643 -26.065 9.990 1.00 64.30 C ATOM 1151 C GLU A 617 -12.430 -26.980 10.179 1.00 14.52 C ATOM 1152 O GLU A 617 -11.389 -26.543 10.668 1.00 54.23 O ATOM 1153 CB GLU A 617 -13.230 -24.728 9.372 1.00 24.10 C ATOM 1154 CG GLU A 617 -13.181 -24.821 7.846 1.00 70.14 C ATOM 1155 CD GLU A 617 -14.588 -24.756 7.247 1.00 2.14 C ATOM 1156 OE1 GLU A 617 -15.570 -24.605 7.989 1.00 52.54 O ATOM 1157 OE2 GLU A 617 -14.640 -24.868 5.963 1.00 1.43 O ATOM 0 H GLU A 617 -14.620 -24.905 11.435 1.00 54.22 H new ATOM 0 HA GLU A 617 -14.335 -26.548 9.300 1.00 64.30 H new ATOM 0 HB2 GLU A 617 -13.935 -23.952 9.670 1.00 24.10 H new ATOM 0 HB3 GLU A 617 -12.252 -24.434 9.753 1.00 24.10 H new ATOM 0 HG2 GLU A 617 -12.574 -24.008 7.448 1.00 70.14 H new ATOM 0 HG3 GLU A 617 -12.699 -25.753 7.550 1.00 70.14 H new ATOM 1165 N VAL A 618 -12.606 -28.231 9.783 1.00 62.45 N ATOM 1166 CA VAL A 618 -11.539 -29.211 9.902 1.00 12.14 C ATOM 1167 C VAL A 618 -10.284 -28.679 9.209 1.00 44.34 C ATOM 1168 O VAL A 618 -10.256 -28.541 7.987 1.00 73.24 O ATOM 1169 CB VAL A 618 -12.002 -30.560 9.348 1.00 54.42 C ATOM 1170 CG1 VAL A 618 -10.835 -31.543 9.252 1.00 65.22 C ATOM 1171 CG2 VAL A 618 -13.139 -31.138 10.193 1.00 70.53 C ATOM 0 H VAL A 618 -13.471 -28.590 9.379 1.00 62.45 H new ATOM 0 HA VAL A 618 -11.287 -29.375 10.950 1.00 12.14 H new ATOM 0 HB VAL A 618 -12.384 -30.395 8.340 1.00 54.42 H new ATOM 0 HG11 VAL A 618 -11.192 -32.494 8.855 1.00 65.22 H new ATOM 0 HG12 VAL A 618 -10.071 -31.137 8.589 1.00 65.22 H new ATOM 0 HG13 VAL A 618 -10.409 -31.700 10.243 1.00 65.22 H new ATOM 0 HG21 VAL A 618 -13.450 -32.097 9.778 1.00 70.53 H new ATOM 0 HG22 VAL A 618 -12.795 -31.280 11.217 1.00 70.53 H new ATOM 0 HG23 VAL A 618 -13.984 -30.449 10.186 1.00 70.53 H new ATOM 1181 N TRP A 619 -9.275 -28.394 10.019 1.00 44.44 N ATOM 1182 CA TRP A 619 -8.019 -27.879 9.498 1.00 72.51 C ATOM 1183 C TRP A 619 -7.315 -29.016 8.754 1.00 52.01 C ATOM 1184 O TRP A 619 -6.902 -28.850 7.607 1.00 2.33 O ATOM 1185 CB TRP A 619 -7.166 -27.279 10.617 1.00 34.12 C ATOM 1186 CG TRP A 619 -7.758 -26.012 11.239 1.00 65.22 C ATOM 1187 CD1 TRP A 619 -8.588 -25.126 10.673 1.00 41.31 C ATOM 1188 CD2 TRP A 619 -7.528 -25.524 12.577 1.00 13.43 C ATOM 1189 NE1 TRP A 619 -8.909 -24.106 11.545 1.00 13.50 N ATOM 1190 CE2 TRP A 619 -8.244 -24.355 12.740 1.00 75.31 C ATOM 1191 CE3 TRP A 619 -6.742 -26.051 13.616 1.00 22.53 C ATOM 1192 CZ2 TRP A 619 -8.246 -23.616 13.929 1.00 44.02 C ATOM 1193 CZ3 TRP A 619 -6.753 -25.301 14.798 1.00 15.30 C ATOM 1194 CH2 TRP A 619 -7.469 -24.123 14.978 1.00 50.34 C ATOM 0 H TRP A 619 -9.301 -28.510 11.032 1.00 44.44 H new ATOM 0 HA TRP A 619 -8.197 -27.062 8.799 1.00 72.51 H new ATOM 0 HB2 TRP A 619 -7.032 -28.027 11.399 1.00 34.12 H new ATOM 0 HB3 TRP A 619 -6.176 -27.050 10.222 1.00 34.12 H new ATOM 0 HD1 TRP A 619 -8.959 -25.201 9.662 1.00 41.31 H new ATOM 0 HE1 TRP A 619 -9.522 -23.315 11.349 1.00 13.50 H new ATOM 0 HE3 TRP A 619 -6.174 -26.963 13.511 1.00 22.53 H new ATOM 0 HZ2 TRP A 619 -8.816 -22.704 14.032 1.00 44.02 H new ATOM 0 HZ3 TRP A 619 -6.164 -25.663 15.628 1.00 15.30 H new ATOM 0 HH2 TRP A 619 -7.426 -23.601 15.923 1.00 50.34 H new ATOM 1205 N GLY A 620 -7.200 -30.146 9.437 1.00 54.44 N ATOM 1206 CA GLY A 620 -6.553 -31.309 8.855 1.00 75.33 C ATOM 1207 C GLY A 620 -6.476 -32.456 9.865 1.00 73.14 C ATOM 1208 O GLY A 620 -7.451 -33.179 10.064 1.00 71.44 O ATOM 0 H GLY A 620 -7.544 -30.280 10.388 1.00 54.44 H new ATOM 0 HA2 GLY A 620 -7.105 -31.633 7.973 1.00 75.33 H new ATOM 0 HA3 GLY A 620 -5.549 -31.043 8.524 1.00 75.33 H new ATOM 1212 N LEU A 621 -5.308 -32.586 10.476 1.00 61.55 N ATOM 1213 CA LEU A 621 -5.091 -33.633 11.460 1.00 43.01 C ATOM 1214 C LEU A 621 -3.863 -33.286 12.305 1.00 53.33 C ATOM 1215 O LEU A 621 -3.131 -32.350 11.987 1.00 62.24 O ATOM 1216 CB LEU A 621 -5.001 -35.000 10.778 1.00 14.31 C ATOM 1217 CG LEU A 621 -3.666 -35.733 10.917 1.00 4.33 C ATOM 1218 CD1 LEU A 621 -3.704 -37.083 10.199 1.00 22.14 C ATOM 1219 CD2 LEU A 621 -2.507 -34.858 10.433 1.00 73.45 C ATOM 0 H LEU A 621 -4.502 -31.984 10.309 1.00 61.55 H new ATOM 0 HA LEU A 621 -5.940 -33.697 12.141 1.00 43.01 H new ATOM 0 HB2 LEU A 621 -5.787 -35.638 11.183 1.00 14.31 H new ATOM 0 HB3 LEU A 621 -5.212 -34.869 9.717 1.00 14.31 H new ATOM 0 HG LEU A 621 -3.496 -35.936 11.974 1.00 4.33 H new ATOM 0 HD11 LEU A 621 -2.742 -37.583 10.314 1.00 22.14 H new ATOM 0 HD12 LEU A 621 -4.489 -37.703 10.631 1.00 22.14 H new ATOM 0 HD13 LEU A 621 -3.907 -36.926 9.140 1.00 22.14 H new ATOM 0 HD21 LEU A 621 -1.569 -35.403 10.543 1.00 73.45 H new ATOM 0 HD22 LEU A 621 -2.658 -34.602 9.384 1.00 73.45 H new ATOM 0 HD23 LEU A 621 -2.468 -33.945 11.027 1.00 73.45 H new ATOM 1231 N GLN A 622 -3.677 -34.058 13.365 1.00 64.01 N ATOM 1232 CA GLN A 622 -2.550 -33.844 14.258 1.00 54.11 C ATOM 1233 C GLN A 622 -1.389 -34.765 13.878 1.00 51.42 C ATOM 1234 O GLN A 622 -1.578 -35.743 13.157 1.00 52.24 O ATOM 1235 CB GLN A 622 -2.960 -34.052 15.717 1.00 34.31 C ATOM 1236 CG GLN A 622 -2.411 -32.934 16.606 1.00 73.51 C ATOM 1237 CD GLN A 622 -2.141 -33.444 18.023 1.00 45.20 C ATOM 1238 OE1 GLN A 622 -1.010 -33.534 18.472 1.00 21.44 O ATOM 1239 NE2 GLN A 622 -3.238 -33.770 18.700 1.00 71.15 N ATOM 0 H GLN A 622 -4.287 -34.833 13.626 1.00 64.01 H new ATOM 0 HA GLN A 622 -2.218 -32.811 14.152 1.00 54.11 H new ATOM 0 HB2 GLN A 622 -4.047 -34.081 15.792 1.00 34.31 H new ATOM 0 HB3 GLN A 622 -2.591 -35.015 16.068 1.00 34.31 H new ATOM 0 HG2 GLN A 622 -1.490 -32.541 16.175 1.00 73.51 H new ATOM 0 HG3 GLN A 622 -3.123 -32.110 16.642 1.00 73.51 H new ATOM 0 HE21 GLN A 622 -4.155 -33.670 18.264 1.00 71.15 H new ATOM 0 HE22 GLN A 622 -3.163 -34.120 19.655 1.00 71.15 H new ATOM 1248 N MET A 623 -0.213 -34.419 14.380 1.00 2.21 N ATOM 1249 CA MET A 623 0.979 -35.202 14.102 1.00 21.02 C ATOM 1250 C MET A 623 1.939 -35.182 15.294 1.00 54.11 C ATOM 1251 O MET A 623 1.961 -34.221 16.061 1.00 44.41 O ATOM 1252 CB MET A 623 1.685 -34.637 12.868 1.00 4.23 C ATOM 1253 CG MET A 623 0.779 -34.706 11.638 1.00 55.41 C ATOM 1254 SD MET A 623 1.764 -34.911 10.164 1.00 41.11 S ATOM 1255 CE MET A 623 1.442 -36.631 9.813 1.00 73.14 C ATOM 0 H MET A 623 -0.060 -33.607 14.978 1.00 2.21 H new ATOM 0 HA MET A 623 0.679 -36.234 13.919 1.00 21.02 H new ATOM 0 HB2 MET A 623 1.975 -33.603 13.053 1.00 4.23 H new ATOM 0 HB3 MET A 623 2.601 -35.197 12.681 1.00 4.23 H new ATOM 0 HG2 MET A 623 0.081 -35.537 11.737 1.00 55.41 H new ATOM 0 HG3 MET A 623 0.183 -33.796 11.564 1.00 55.41 H new ATOM 0 HE1 MET A 623 1.706 -36.847 8.778 1.00 73.14 H new ATOM 0 HE2 MET A 623 2.039 -37.256 10.477 1.00 73.14 H new ATOM 0 HE3 MET A 623 0.384 -36.842 9.970 1.00 73.14 H new ATOM 1265 N ILE A 624 2.707 -36.255 15.412 1.00 43.51 N ATOM 1266 CA ILE A 624 3.666 -36.372 16.497 1.00 24.21 C ATOM 1267 C ILE A 624 5.072 -36.537 15.915 1.00 75.04 C ATOM 1268 O ILE A 624 5.282 -37.346 15.013 1.00 64.34 O ATOM 1269 CB ILE A 624 3.260 -37.497 17.451 1.00 23.13 C ATOM 1270 CG1 ILE A 624 1.822 -37.311 17.938 1.00 54.03 C ATOM 1271 CG2 ILE A 624 4.248 -37.613 18.614 1.00 20.11 C ATOM 1272 CD1 ILE A 624 0.821 -37.619 16.822 1.00 64.13 C ATOM 0 H ILE A 624 2.685 -37.051 14.774 1.00 43.51 H new ATOM 0 HA ILE A 624 3.674 -35.462 17.098 1.00 24.21 H new ATOM 0 HB ILE A 624 3.295 -38.439 16.903 1.00 23.13 H new ATOM 0 HG12 ILE A 624 1.635 -37.965 18.790 1.00 54.03 H new ATOM 0 HG13 ILE A 624 1.681 -36.287 18.285 1.00 54.03 H new ATOM 0 HG21 ILE A 624 3.936 -38.420 19.277 1.00 20.11 H new ATOM 0 HG22 ILE A 624 5.244 -37.827 18.226 1.00 20.11 H new ATOM 0 HG23 ILE A 624 4.269 -36.675 19.169 1.00 20.11 H new ATOM 0 HD11 ILE A 624 -0.194 -37.479 17.195 1.00 64.13 H new ATOM 0 HD12 ILE A 624 0.995 -36.947 15.982 1.00 64.13 H new ATOM 0 HD13 ILE A 624 0.948 -38.651 16.494 1.00 64.13 H new ATOM 1284 N TYR A 625 5.996 -35.757 16.454 1.00 4.30 N ATOM 1285 CA TYR A 625 7.375 -35.806 15.999 1.00 25.01 C ATOM 1286 C TYR A 625 8.345 -35.734 17.180 1.00 4.42 C ATOM 1287 O TYR A 625 8.597 -34.655 17.716 1.00 31.53 O ATOM 1288 CB TYR A 625 7.573 -34.572 15.116 1.00 34.22 C ATOM 1289 CG TYR A 625 9.032 -34.299 14.745 1.00 75.41 C ATOM 1290 CD1 TYR A 625 9.582 -34.895 13.628 1.00 3.33 C ATOM 1291 CD2 TYR A 625 9.797 -33.458 15.527 1.00 51.03 C ATOM 1292 CE1 TYR A 625 10.955 -34.638 13.279 1.00 65.02 C ATOM 1293 CE2 TYR A 625 11.170 -33.201 15.177 1.00 21.22 C ATOM 1294 CZ TYR A 625 11.682 -33.804 14.071 1.00 54.04 C ATOM 1295 OH TYR A 625 12.978 -33.562 13.741 1.00 45.55 O ATOM 0 H TYR A 625 5.817 -35.087 17.202 1.00 4.30 H new ATOM 0 HA TYR A 625 7.570 -36.737 15.466 1.00 25.01 H new ATOM 0 HB2 TYR A 625 6.993 -34.696 14.201 1.00 34.22 H new ATOM 0 HB3 TYR A 625 7.171 -33.700 15.632 1.00 34.22 H new ATOM 0 HD1 TYR A 625 8.983 -35.553 13.016 1.00 3.33 H new ATOM 0 HD2 TYR A 625 9.366 -32.993 16.401 1.00 51.03 H new ATOM 0 HE1 TYR A 625 11.398 -35.097 12.408 1.00 65.02 H new ATOM 0 HE2 TYR A 625 11.780 -32.544 15.780 1.00 21.22 H new ATOM 0 HH TYR A 625 13.455 -33.213 14.523 1.00 45.55 H new ATOM 1305 N LYS A 626 8.864 -36.895 17.551 1.00 71.10 N ATOM 1306 CA LYS A 626 9.801 -36.977 18.659 1.00 53.13 C ATOM 1307 C LYS A 626 9.068 -36.663 19.965 1.00 42.33 C ATOM 1308 O LYS A 626 9.691 -36.275 20.952 1.00 30.31 O ATOM 1309 CB LYS A 626 11.013 -36.080 18.402 1.00 2.34 C ATOM 1310 CG LYS A 626 12.139 -36.861 17.721 1.00 10.42 C ATOM 1311 CD LYS A 626 12.007 -36.797 16.198 1.00 10.42 C ATOM 1312 CE LYS A 626 11.147 -37.948 15.674 1.00 61.14 C ATOM 1313 NZ LYS A 626 11.996 -39.103 15.306 1.00 22.43 N ATOM 0 H LYS A 626 8.653 -37.787 17.104 1.00 71.10 H new ATOM 0 HA LYS A 626 10.196 -37.989 18.751 1.00 53.13 H new ATOM 0 HB2 LYS A 626 10.720 -35.237 17.776 1.00 2.34 H new ATOM 0 HB3 LYS A 626 11.371 -35.667 19.345 1.00 2.34 H new ATOM 0 HG2 LYS A 626 13.104 -36.454 18.023 1.00 10.42 H new ATOM 0 HG3 LYS A 626 12.115 -37.900 18.048 1.00 10.42 H new ATOM 0 HD2 LYS A 626 11.563 -35.845 15.908 1.00 10.42 H new ATOM 0 HD3 LYS A 626 12.996 -36.840 15.741 1.00 10.42 H new ATOM 0 HE2 LYS A 626 10.426 -38.247 16.435 1.00 61.14 H new ATOM 0 HE3 LYS A 626 10.576 -37.618 14.806 1.00 61.14 H new ATOM 0 HZ1 LYS A 626 11.397 -39.876 14.952 1.00 22.43 H new ATOM 0 HZ2 LYS A 626 12.667 -38.818 14.564 1.00 22.43 H new ATOM 0 HZ3 LYS A 626 12.522 -39.428 16.142 1.00 22.43 H new ATOM 1326 N SER A 627 7.756 -36.841 19.928 1.00 70.54 N ATOM 1327 CA SER A 627 6.932 -36.582 21.096 1.00 40.20 C ATOM 1328 C SER A 627 6.544 -35.103 21.145 1.00 43.43 C ATOM 1329 O SER A 627 6.525 -34.497 22.215 1.00 32.22 O ATOM 1330 CB SER A 627 7.658 -36.983 22.382 1.00 54.02 C ATOM 1331 OG SER A 627 8.412 -35.904 22.928 1.00 71.21 O ATOM 0 H SER A 627 7.243 -37.162 19.107 1.00 70.54 H new ATOM 0 HA SER A 627 6.028 -37.186 21.018 1.00 40.20 H new ATOM 0 HB2 SER A 627 6.930 -37.325 23.118 1.00 54.02 H new ATOM 0 HB3 SER A 627 8.323 -37.822 22.177 1.00 54.02 H new ATOM 0 HG SER A 627 9.280 -35.850 22.476 1.00 71.21 H new ATOM 1337 N VAL A 628 6.245 -34.563 19.972 1.00 65.20 N ATOM 1338 CA VAL A 628 5.859 -33.166 19.867 1.00 24.33 C ATOM 1339 C VAL A 628 4.527 -33.064 19.122 1.00 64.35 C ATOM 1340 O VAL A 628 4.438 -33.429 17.950 1.00 20.54 O ATOM 1341 CB VAL A 628 6.979 -32.362 19.204 1.00 63.35 C ATOM 1342 CG1 VAL A 628 6.518 -30.939 18.885 1.00 14.23 C ATOM 1343 CG2 VAL A 628 8.236 -32.349 20.076 1.00 61.20 C ATOM 0 H VAL A 628 6.262 -35.068 19.086 1.00 65.20 H new ATOM 0 HA VAL A 628 5.711 -32.735 20.857 1.00 24.33 H new ATOM 0 HB VAL A 628 7.230 -32.851 18.263 1.00 63.35 H new ATOM 0 HG11 VAL A 628 7.333 -30.389 18.414 1.00 14.23 H new ATOM 0 HG12 VAL A 628 5.666 -30.976 18.206 1.00 14.23 H new ATOM 0 HG13 VAL A 628 6.226 -30.436 19.807 1.00 14.23 H new ATOM 0 HG21 VAL A 628 9.016 -31.771 19.581 1.00 61.20 H new ATOM 0 HG22 VAL A 628 8.005 -31.896 21.040 1.00 61.20 H new ATOM 0 HG23 VAL A 628 8.583 -33.371 20.229 1.00 61.20 H new ATOM 1353 N LYS A 629 3.525 -32.566 19.831 1.00 64.12 N ATOM 1354 CA LYS A 629 2.202 -32.411 19.251 1.00 61.43 C ATOM 1355 C LYS A 629 2.224 -31.264 18.239 1.00 4.22 C ATOM 1356 O LYS A 629 2.154 -30.096 18.618 1.00 13.24 O ATOM 1357 CB LYS A 629 1.152 -32.242 20.350 1.00 14.11 C ATOM 1358 CG LYS A 629 1.180 -33.423 21.322 1.00 34.31 C ATOM 1359 CD LYS A 629 0.545 -34.665 20.693 1.00 31.55 C ATOM 1360 CE LYS A 629 -0.965 -34.695 20.941 1.00 43.42 C ATOM 1361 NZ LYS A 629 -1.252 -35.023 22.355 1.00 1.11 N ATOM 0 H LYS A 629 3.603 -32.264 20.802 1.00 64.12 H new ATOM 0 HA LYS A 629 1.917 -33.311 18.706 1.00 61.43 H new ATOM 0 HB2 LYS A 629 1.335 -31.315 20.893 1.00 14.11 H new ATOM 0 HB3 LYS A 629 0.162 -32.159 19.902 1.00 14.11 H new ATOM 0 HG2 LYS A 629 2.210 -33.641 21.606 1.00 34.31 H new ATOM 0 HG3 LYS A 629 0.646 -33.160 22.235 1.00 34.31 H new ATOM 0 HD2 LYS A 629 0.741 -34.675 19.621 1.00 31.55 H new ATOM 0 HD3 LYS A 629 1.003 -35.562 21.109 1.00 31.55 H new ATOM 0 HE2 LYS A 629 -1.400 -33.727 20.691 1.00 43.42 H new ATOM 0 HE3 LYS A 629 -1.432 -35.433 20.288 1.00 43.42 H new ATOM 0 HZ1 LYS A 629 -2.229 -35.369 22.440 1.00 1.11 H new ATOM 0 HZ2 LYS A 629 -0.594 -35.760 22.681 1.00 1.11 H new ATOM 0 HZ3 LYS A 629 -1.135 -34.171 22.940 1.00 1.11 H new ATOM 1374 N LEU A 630 2.323 -31.637 16.972 1.00 40.54 N ATOM 1375 CA LEU A 630 2.356 -30.653 15.903 1.00 55.24 C ATOM 1376 C LEU A 630 1.187 -30.904 14.948 1.00 35.52 C ATOM 1377 O LEU A 630 1.166 -31.908 14.237 1.00 11.11 O ATOM 1378 CB LEU A 630 3.722 -30.654 15.215 1.00 42.01 C ATOM 1379 CG LEU A 630 4.938 -30.551 16.138 1.00 31.33 C ATOM 1380 CD1 LEU A 630 6.239 -30.558 15.334 1.00 23.21 C ATOM 1381 CD2 LEU A 630 4.833 -29.326 17.049 1.00 40.05 C ATOM 0 H LEU A 630 2.381 -32.607 16.661 1.00 40.54 H new ATOM 0 HA LEU A 630 2.229 -29.649 16.307 1.00 55.24 H new ATOM 0 HB2 LEU A 630 3.811 -31.569 14.630 1.00 42.01 H new ATOM 0 HB3 LEU A 630 3.753 -29.822 14.512 1.00 42.01 H new ATOM 0 HG LEU A 630 4.953 -31.430 16.782 1.00 31.33 H new ATOM 0 HD11 LEU A 630 7.087 -30.484 16.014 1.00 23.21 H new ATOM 0 HD12 LEU A 630 6.310 -31.485 14.765 1.00 23.21 H new ATOM 0 HD13 LEU A 630 6.248 -29.710 14.649 1.00 23.21 H new ATOM 0 HD21 LEU A 630 5.710 -29.277 17.695 1.00 40.05 H new ATOM 0 HD22 LEU A 630 4.779 -28.423 16.440 1.00 40.05 H new ATOM 0 HD23 LEU A 630 3.935 -29.404 17.662 1.00 40.05 H new ATOM 1393 N PRO A 631 0.217 -29.951 14.964 1.00 75.44 N ATOM 1394 CA PRO A 631 -0.953 -30.060 14.108 1.00 10.13 C ATOM 1395 C PRO A 631 -0.603 -29.729 12.656 1.00 22.20 C ATOM 1396 O PRO A 631 0.464 -29.184 12.380 1.00 45.22 O ATOM 1397 CB PRO A 631 -1.969 -29.101 14.707 1.00 21.25 C ATOM 1398 CG PRO A 631 -1.176 -28.153 15.592 1.00 41.21 C ATOM 1399 CD PRO A 631 0.207 -28.750 15.793 1.00 44.43 C ATOM 0 HA PRO A 631 -1.354 -31.073 14.071 1.00 10.13 H new ATOM 0 HB2 PRO A 631 -2.499 -28.555 13.926 1.00 21.25 H new ATOM 0 HB3 PRO A 631 -2.720 -29.639 15.285 1.00 21.25 H new ATOM 0 HG2 PRO A 631 -1.103 -27.169 15.129 1.00 41.21 H new ATOM 0 HG3 PRO A 631 -1.676 -28.018 16.551 1.00 41.21 H new ATOM 0 HD2 PRO A 631 0.987 -28.052 15.489 1.00 44.43 H new ATOM 0 HD3 PRO A 631 0.386 -28.991 16.841 1.00 44.43 H new ATOM 1407 N VAL A 632 -1.522 -30.073 11.766 1.00 32.21 N ATOM 1408 CA VAL A 632 -1.324 -29.820 10.349 1.00 11.52 C ATOM 1409 C VAL A 632 -2.550 -29.096 9.789 1.00 51.22 C ATOM 1410 O VAL A 632 -3.520 -29.734 9.382 1.00 41.30 O ATOM 1411 CB VAL A 632 -1.019 -31.130 9.621 1.00 44.13 C ATOM 1412 CG1 VAL A 632 -1.008 -30.925 8.105 1.00 44.44 C ATOM 1413 CG2 VAL A 632 0.304 -31.730 10.103 1.00 50.54 C ATOM 0 H VAL A 632 -2.406 -30.525 11.999 1.00 32.21 H new ATOM 0 HA VAL A 632 -0.463 -29.170 10.194 1.00 11.52 H new ATOM 0 HB VAL A 632 -1.814 -31.838 9.857 1.00 44.13 H new ATOM 0 HG11 VAL A 632 -0.789 -31.872 7.611 1.00 44.44 H new ATOM 0 HG12 VAL A 632 -1.983 -30.564 7.780 1.00 44.44 H new ATOM 0 HG13 VAL A 632 -0.244 -30.193 7.842 1.00 44.44 H new ATOM 0 HG21 VAL A 632 0.497 -32.661 9.570 1.00 50.54 H new ATOM 0 HG22 VAL A 632 1.114 -31.027 9.910 1.00 50.54 H new ATOM 0 HG23 VAL A 632 0.244 -31.931 11.173 1.00 50.54 H new ATOM 1423 N LEU A 633 -2.467 -27.774 9.786 1.00 43.55 N ATOM 1424 CA LEU A 633 -3.557 -26.956 9.282 1.00 74.12 C ATOM 1425 C LEU A 633 -3.236 -26.508 7.855 1.00 50.04 C ATOM 1426 O LEU A 633 -2.125 -26.717 7.370 1.00 1.50 O ATOM 1427 CB LEU A 633 -3.846 -25.798 10.240 1.00 70.54 C ATOM 1428 CG LEU A 633 -3.669 -26.100 11.729 1.00 23.21 C ATOM 1429 CD1 LEU A 633 -3.925 -27.579 12.023 1.00 32.51 C ATOM 1430 CD2 LEU A 633 -2.292 -25.649 12.220 1.00 44.42 C ATOM 0 H LEU A 633 -1.661 -27.248 10.125 1.00 43.55 H new ATOM 0 HA LEU A 633 -4.478 -27.537 9.234 1.00 74.12 H new ATOM 0 HB2 LEU A 633 -3.194 -24.965 9.978 1.00 70.54 H new ATOM 0 HB3 LEU A 633 -4.871 -25.464 10.076 1.00 70.54 H new ATOM 0 HG LEU A 633 -4.413 -25.528 12.284 1.00 23.21 H new ATOM 0 HD11 LEU A 633 -3.792 -27.766 13.089 1.00 32.51 H new ATOM 0 HD12 LEU A 633 -4.944 -27.837 11.733 1.00 32.51 H new ATOM 0 HD13 LEU A 633 -3.221 -28.190 11.457 1.00 32.51 H new ATOM 0 HD21 LEU A 633 -2.192 -25.875 13.282 1.00 44.42 H new ATOM 0 HD22 LEU A 633 -1.517 -26.175 11.662 1.00 44.42 H new ATOM 0 HD23 LEU A 633 -2.185 -24.575 12.066 1.00 44.42 H new ATOM 1442 N LYS A 634 -4.229 -25.900 7.222 1.00 62.54 N ATOM 1443 CA LYS A 634 -4.066 -25.421 5.860 1.00 63.14 C ATOM 1444 C LYS A 634 -3.938 -23.896 5.872 1.00 24.51 C ATOM 1445 O LYS A 634 -3.932 -23.279 6.936 1.00 70.10 O ATOM 1446 CB LYS A 634 -5.200 -25.936 4.971 1.00 11.41 C ATOM 1447 CG LYS A 634 -5.785 -27.236 5.526 1.00 24.13 C ATOM 1448 CD LYS A 634 -7.002 -27.681 4.713 1.00 23.30 C ATOM 1449 CE LYS A 634 -8.206 -26.780 4.991 1.00 35.23 C ATOM 1450 NZ LYS A 634 -8.789 -27.088 6.317 1.00 70.55 N ATOM 0 H LYS A 634 -5.149 -25.728 7.627 1.00 62.54 H new ATOM 0 HA LYS A 634 -3.147 -25.815 5.425 1.00 63.14 H new ATOM 0 HB2 LYS A 634 -5.983 -25.181 4.901 1.00 11.41 H new ATOM 0 HB3 LYS A 634 -4.827 -26.103 3.960 1.00 11.41 H new ATOM 0 HG2 LYS A 634 -5.025 -28.018 5.508 1.00 24.13 H new ATOM 0 HG3 LYS A 634 -6.071 -27.094 6.568 1.00 24.13 H new ATOM 0 HD2 LYS A 634 -6.762 -27.656 3.650 1.00 23.30 H new ATOM 0 HD3 LYS A 634 -7.251 -28.713 4.960 1.00 23.30 H new ATOM 0 HE2 LYS A 634 -7.901 -25.734 4.955 1.00 35.23 H new ATOM 0 HE3 LYS A 634 -8.959 -26.919 4.215 1.00 35.23 H new ATOM 0 HZ1 LYS A 634 -9.616 -27.707 6.197 1.00 70.55 H new ATOM 0 HZ2 LYS A 634 -8.079 -27.569 6.905 1.00 70.55 H new ATOM 0 HZ3 LYS A 634 -9.082 -26.205 6.781 1.00 70.55 H new ATOM 1463 N VAL A 635 -3.838 -23.333 4.677 1.00 23.21 N ATOM 1464 CA VAL A 635 -3.710 -21.893 4.537 1.00 0.41 C ATOM 1465 C VAL A 635 -5.054 -21.306 4.102 1.00 14.43 C ATOM 1466 O VAL A 635 -5.263 -20.096 4.183 1.00 21.11 O ATOM 1467 CB VAL A 635 -2.572 -21.560 3.570 1.00 4.44 C ATOM 1468 CG1 VAL A 635 -2.943 -21.938 2.135 1.00 23.13 C ATOM 1469 CG2 VAL A 635 -2.186 -20.082 3.666 1.00 60.12 C ATOM 0 H VAL A 635 -3.843 -23.848 3.797 1.00 23.21 H new ATOM 0 HA VAL A 635 -3.450 -21.438 5.493 1.00 0.41 H new ATOM 0 HB VAL A 635 -1.704 -22.153 3.858 1.00 4.44 H new ATOM 0 HG11 VAL A 635 -2.117 -21.691 1.468 1.00 23.13 H new ATOM 0 HG12 VAL A 635 -3.145 -23.008 2.081 1.00 23.13 H new ATOM 0 HG13 VAL A 635 -3.832 -21.385 1.831 1.00 23.13 H new ATOM 0 HG21 VAL A 635 -1.375 -19.872 2.969 1.00 60.12 H new ATOM 0 HG22 VAL A 635 -3.048 -19.464 3.417 1.00 60.12 H new ATOM 0 HG23 VAL A 635 -1.859 -19.857 4.681 1.00 60.12 H new ATOM 1479 N ARG A 636 -5.932 -22.190 3.651 1.00 44.24 N ATOM 1480 CA ARG A 636 -7.250 -21.774 3.203 1.00 71.40 C ATOM 1481 C ARG A 636 -8.240 -21.802 4.369 1.00 3.25 C ATOM 1482 O ARG A 636 -9.388 -21.385 4.224 1.00 61.31 O ATOM 1483 CB ARG A 636 -7.764 -22.684 2.086 1.00 72.35 C ATOM 1484 CG ARG A 636 -8.162 -24.056 2.635 1.00 53.23 C ATOM 1485 CD ARG A 636 -8.801 -24.919 1.544 1.00 0.44 C ATOM 1486 NE ARG A 636 -8.526 -26.349 1.805 1.00 31.23 N ATOM 1487 CZ ARG A 636 -9.311 -27.361 1.377 1.00 2.05 C ATOM 1488 NH1 ARG A 636 -10.428 -27.107 0.663 1.00 2.21 N ATOM 1489 NH2 ARG A 636 -8.970 -28.603 1.668 1.00 3.53 N ATOM 0 H ARG A 636 -5.756 -23.193 3.586 1.00 44.24 H new ATOM 0 HA ARG A 636 -7.164 -20.758 2.819 1.00 71.40 H new ATOM 0 HB2 ARG A 636 -8.622 -22.220 1.600 1.00 72.35 H new ATOM 0 HB3 ARG A 636 -6.993 -22.803 1.325 1.00 72.35 H new ATOM 0 HG2 ARG A 636 -7.282 -24.561 3.035 1.00 53.23 H new ATOM 0 HG3 ARG A 636 -8.861 -23.932 3.462 1.00 53.23 H new ATOM 0 HD2 ARG A 636 -9.877 -24.746 1.516 1.00 0.44 H new ATOM 0 HD3 ARG A 636 -8.407 -24.637 0.568 1.00 0.44 H new ATOM 0 HE ARG A 636 -7.691 -26.585 2.342 1.00 31.23 H new ATOM 0 HH11 ARG A 636 -10.685 -26.145 0.443 1.00 2.21 H new ATOM 0 HH12 ARG A 636 -11.015 -27.877 0.344 1.00 2.21 H new ATOM 0 HH21 ARG A 636 -8.125 -28.786 2.208 1.00 3.53 H new ATOM 0 HH22 ARG A 636 -9.552 -29.379 1.352 1.00 3.53 H new ATOM 1502 N SER A 637 -7.759 -22.296 5.501 1.00 64.34 N ATOM 1503 CA SER A 637 -8.587 -22.383 6.691 1.00 24.44 C ATOM 1504 C SER A 637 -8.070 -21.418 7.760 1.00 63.10 C ATOM 1505 O SER A 637 -8.761 -21.141 8.739 1.00 75.43 O ATOM 1506 CB SER A 637 -8.618 -23.812 7.237 1.00 23.33 C ATOM 1507 OG SER A 637 -9.829 -24.092 7.933 1.00 15.21 O ATOM 0 H SER A 637 -6.806 -22.640 5.619 1.00 64.34 H new ATOM 0 HA SER A 637 -9.605 -22.104 6.420 1.00 24.44 H new ATOM 0 HB2 SER A 637 -8.502 -24.517 6.414 1.00 23.33 H new ATOM 0 HB3 SER A 637 -7.772 -23.962 7.907 1.00 23.33 H new ATOM 0 HG SER A 637 -10.065 -23.328 8.500 1.00 15.21 H new ATOM 1513 N MET A 638 -6.858 -20.932 7.536 1.00 23.01 N ATOM 1514 CA MET A 638 -6.240 -20.003 8.468 1.00 61.55 C ATOM 1515 C MET A 638 -6.179 -18.593 7.877 1.00 71.31 C ATOM 1516 O MET A 638 -5.755 -18.412 6.736 1.00 13.15 O ATOM 1517 CB MET A 638 -4.824 -20.479 8.800 1.00 73.42 C ATOM 1518 CG MET A 638 -4.859 -21.731 9.679 1.00 70.42 C ATOM 1519 SD MET A 638 -5.464 -21.318 11.307 1.00 44.25 S ATOM 1520 CE MET A 638 -7.006 -22.215 11.301 1.00 34.55 C ATOM 0 H MET A 638 -6.287 -21.164 6.723 1.00 23.01 H new ATOM 0 HA MET A 638 -6.844 -19.971 9.375 1.00 61.55 H new ATOM 0 HB2 MET A 638 -4.283 -20.692 7.878 1.00 73.42 H new ATOM 0 HB3 MET A 638 -4.280 -19.685 9.313 1.00 73.42 H new ATOM 0 HG2 MET A 638 -5.500 -22.486 9.225 1.00 70.42 H new ATOM 0 HG3 MET A 638 -3.861 -22.162 9.752 1.00 70.42 H new ATOM 0 HE1 MET A 638 -7.707 -21.738 11.986 1.00 34.55 H new ATOM 0 HE2 MET A 638 -7.424 -22.213 10.294 1.00 34.55 H new ATOM 0 HE3 MET A 638 -6.830 -23.243 11.619 1.00 34.55 H new ATOM 1530 N LEU A 639 -6.609 -17.631 8.680 1.00 41.03 N ATOM 1531 CA LEU A 639 -6.609 -16.243 8.251 1.00 43.33 C ATOM 1532 C LEU A 639 -5.346 -15.553 8.770 1.00 23.05 C ATOM 1533 O LEU A 639 -4.899 -15.826 9.883 1.00 4.45 O ATOM 1534 CB LEU A 639 -7.906 -15.551 8.674 1.00 1.24 C ATOM 1535 CG LEU A 639 -8.185 -14.194 8.025 1.00 11.44 C ATOM 1536 CD1 LEU A 639 -7.990 -14.260 6.509 1.00 32.44 C ATOM 1537 CD2 LEU A 639 -9.577 -13.681 8.402 1.00 24.54 C ATOM 0 H LEU A 639 -6.960 -17.785 9.625 1.00 41.03 H new ATOM 0 HA LEU A 639 -6.582 -16.181 7.163 1.00 43.33 H new ATOM 0 HB2 LEU A 639 -8.739 -16.217 8.450 1.00 1.24 H new ATOM 0 HB3 LEU A 639 -7.887 -15.417 9.756 1.00 1.24 H new ATOM 0 HG LEU A 639 -7.462 -13.476 8.412 1.00 11.44 H new ATOM 0 HD11 LEU A 639 -8.195 -13.282 6.073 1.00 32.44 H new ATOM 0 HD12 LEU A 639 -6.963 -14.549 6.287 1.00 32.44 H new ATOM 0 HD13 LEU A 639 -8.673 -14.996 6.086 1.00 32.44 H new ATOM 0 HD21 LEU A 639 -9.750 -12.715 7.927 1.00 24.54 H new ATOM 0 HD22 LEU A 639 -10.331 -14.392 8.063 1.00 24.54 H new ATOM 0 HD23 LEU A 639 -9.643 -13.571 9.484 1.00 24.54 H new ATOM 1549 N LEU A 640 -4.806 -14.673 7.940 1.00 52.01 N ATOM 1550 CA LEU A 640 -3.604 -13.942 8.302 1.00 64.23 C ATOM 1551 C LEU A 640 -3.956 -12.471 8.532 1.00 22.21 C ATOM 1552 O LEU A 640 -3.977 -11.679 7.591 1.00 65.40 O ATOM 1553 CB LEU A 640 -2.511 -14.156 7.252 1.00 2.24 C ATOM 1554 CG LEU A 640 -2.048 -15.600 7.050 1.00 34.31 C ATOM 1555 CD1 LEU A 640 -2.201 -16.410 8.339 1.00 74.52 C ATOM 1556 CD2 LEU A 640 -2.780 -16.250 5.874 1.00 63.40 C ATOM 0 H LEU A 640 -5.179 -14.450 7.017 1.00 52.01 H new ATOM 0 HA LEU A 640 -3.194 -14.322 9.238 1.00 64.23 H new ATOM 0 HB2 LEU A 640 -2.873 -13.775 6.297 1.00 2.24 H new ATOM 0 HB3 LEU A 640 -1.646 -13.553 7.529 1.00 2.24 H new ATOM 0 HG LEU A 640 -0.987 -15.588 6.802 1.00 34.31 H new ATOM 0 HD11 LEU A 640 -1.865 -17.433 8.168 1.00 74.52 H new ATOM 0 HD12 LEU A 640 -1.599 -15.957 9.127 1.00 74.52 H new ATOM 0 HD13 LEU A 640 -3.248 -16.418 8.642 1.00 74.52 H new ATOM 0 HD21 LEU A 640 -2.433 -17.276 5.752 1.00 63.40 H new ATOM 0 HD22 LEU A 640 -3.852 -16.251 6.069 1.00 63.40 H new ATOM 0 HD23 LEU A 640 -2.577 -15.687 4.963 1.00 63.40 H new ATOM 1568 N GLU A 641 -4.224 -12.150 9.789 1.00 1.11 N ATOM 1569 CA GLU A 641 -4.574 -10.788 10.155 1.00 32.01 C ATOM 1570 C GLU A 641 -3.331 -9.897 10.136 1.00 42.33 C ATOM 1571 O GLU A 641 -2.379 -10.137 10.877 1.00 41.22 O ATOM 1572 CB GLU A 641 -5.257 -10.746 11.523 1.00 33.45 C ATOM 1573 CG GLU A 641 -6.760 -10.497 11.379 1.00 41.21 C ATOM 1574 CD GLU A 641 -7.441 -10.445 12.748 1.00 73.22 C ATOM 1575 OE1 GLU A 641 -6.816 -10.032 13.736 1.00 35.42 O ATOM 1576 OE2 GLU A 641 -8.665 -10.852 12.763 1.00 33.43 O ATOM 0 H GLU A 641 -4.206 -12.810 10.567 1.00 1.11 H new ATOM 0 HA GLU A 641 -5.282 -10.406 9.420 1.00 32.01 H new ATOM 0 HB2 GLU A 641 -5.089 -11.688 12.046 1.00 33.45 H new ATOM 0 HB3 GLU A 641 -4.811 -9.959 12.132 1.00 33.45 H new ATOM 0 HG2 GLU A 641 -6.928 -9.559 10.850 1.00 41.21 H new ATOM 0 HG3 GLU A 641 -7.207 -11.288 10.776 1.00 41.21 H new ATOM 1584 N THR A 642 -3.379 -8.886 9.280 1.00 34.31 N ATOM 1585 CA THR A 642 -2.269 -7.958 9.154 1.00 3.14 C ATOM 1586 C THR A 642 -2.766 -6.515 9.254 1.00 13.42 C ATOM 1587 O THR A 642 -3.948 -6.246 9.046 1.00 13.21 O ATOM 1588 CB THR A 642 -1.545 -8.262 7.841 1.00 1.42 C ATOM 1589 OG1 THR A 642 -2.043 -7.281 6.935 1.00 34.32 O ATOM 1590 CG2 THR A 642 -1.981 -9.593 7.227 1.00 71.25 C ATOM 0 H THR A 642 -4.170 -8.690 8.667 1.00 34.31 H new ATOM 0 HA THR A 642 -1.557 -8.080 9.970 1.00 3.14 H new ATOM 0 HB THR A 642 -0.469 -8.278 8.015 1.00 1.42 H new ATOM 0 HG1 THR A 642 -2.828 -7.636 6.467 1.00 34.32 H new ATOM 0 HG21 THR A 642 -1.437 -9.760 6.297 1.00 71.25 H new ATOM 0 HG22 THR A 642 -1.766 -10.403 7.924 1.00 71.25 H new ATOM 0 HG23 THR A 642 -3.051 -9.566 7.021 1.00 71.25 H new ATOM 1598 N PRO A 643 -1.814 -5.600 9.581 1.00 14.12 N ATOM 1599 CA PRO A 643 -2.144 -4.191 9.711 1.00 1.22 C ATOM 1600 C PRO A 643 -2.342 -3.545 8.338 1.00 30.04 C ATOM 1601 O PRO A 643 -2.586 -2.343 8.243 1.00 30.21 O ATOM 1602 CB PRO A 643 -0.987 -3.587 10.490 1.00 12.45 C ATOM 1603 CG PRO A 643 0.161 -4.575 10.365 1.00 42.51 C ATOM 1604 CD PRO A 643 -0.405 -5.882 9.835 1.00 44.11 C ATOM 0 HA PRO A 643 -3.087 -4.026 10.232 1.00 1.22 H new ATOM 0 HB2 PRO A 643 -0.710 -2.613 10.086 1.00 12.45 H new ATOM 0 HB3 PRO A 643 -1.258 -3.433 11.535 1.00 12.45 H new ATOM 0 HG2 PRO A 643 0.925 -4.189 9.691 1.00 42.51 H new ATOM 0 HG3 PRO A 643 0.638 -4.730 11.333 1.00 42.51 H new ATOM 0 HD2 PRO A 643 0.107 -6.195 8.925 1.00 44.11 H new ATOM 0 HD3 PRO A 643 -0.287 -6.687 10.560 1.00 44.11 H new ATOM 1612 N GLN A 644 -2.230 -4.372 7.309 1.00 2.13 N ATOM 1613 CA GLN A 644 -2.394 -3.897 5.946 1.00 42.40 C ATOM 1614 C GLN A 644 -3.681 -4.459 5.339 1.00 63.01 C ATOM 1615 O GLN A 644 -4.068 -4.079 4.235 1.00 61.52 O ATOM 1616 CB GLN A 644 -1.179 -4.259 5.089 1.00 33.11 C ATOM 1617 CG GLN A 644 0.097 -4.293 5.933 1.00 74.11 C ATOM 1618 CD GLN A 644 1.340 -4.159 5.052 1.00 43.32 C ATOM 1619 OE1 GLN A 644 2.064 -3.178 5.101 1.00 41.25 O ATOM 1620 NE2 GLN A 644 1.547 -5.196 4.246 1.00 22.51 N ATOM 0 H GLN A 644 -2.028 -5.368 7.392 1.00 2.13 H new ATOM 0 HA GLN A 644 -2.471 -2.810 5.968 1.00 42.40 H new ATOM 0 HB2 GLN A 644 -1.336 -5.231 4.621 1.00 33.11 H new ATOM 0 HB3 GLN A 644 -1.068 -3.532 4.284 1.00 33.11 H new ATOM 0 HG2 GLN A 644 0.076 -3.484 6.664 1.00 74.11 H new ATOM 0 HG3 GLN A 644 0.142 -5.227 6.493 1.00 74.11 H new ATOM 0 HE21 GLN A 644 0.902 -5.986 4.255 1.00 22.51 H new ATOM 0 HE22 GLN A 644 2.351 -5.202 3.619 1.00 22.51 H new ATOM 1629 N GLY A 645 -4.308 -5.355 6.087 1.00 42.21 N ATOM 1630 CA GLY A 645 -5.543 -5.973 5.636 1.00 30.32 C ATOM 1631 C GLY A 645 -5.439 -7.499 5.678 1.00 72.31 C ATOM 1632 O GLY A 645 -4.406 -8.065 5.323 1.00 52.33 O ATOM 0 H GLY A 645 -3.984 -5.668 7.002 1.00 42.21 H new ATOM 0 HA2 GLY A 645 -6.370 -5.644 6.265 1.00 30.32 H new ATOM 0 HA3 GLY A 645 -5.767 -5.648 4.620 1.00 30.32 H new ATOM 1636 N ARG A 646 -6.524 -8.123 6.115 1.00 44.51 N ATOM 1637 CA ARG A 646 -6.568 -9.572 6.208 1.00 44.13 C ATOM 1638 C ARG A 646 -6.254 -10.201 4.848 1.00 14.44 C ATOM 1639 O ARG A 646 -6.516 -9.600 3.808 1.00 42.54 O ATOM 1640 CB ARG A 646 -7.941 -10.052 6.680 1.00 74.24 C ATOM 1641 CG ARG A 646 -8.051 -9.988 8.204 1.00 23.14 C ATOM 1642 CD ARG A 646 -9.406 -10.516 8.680 1.00 61.14 C ATOM 1643 NE ARG A 646 -10.396 -9.417 8.707 1.00 51.43 N ATOM 1644 CZ ARG A 646 -11.156 -9.056 7.651 1.00 72.43 C ATOM 1645 NH1 ARG A 646 -11.045 -9.707 6.473 1.00 34.10 N ATOM 1646 NH2 ARG A 646 -12.009 -8.058 7.787 1.00 73.41 N ATOM 0 H ARG A 646 -7.379 -7.651 6.408 1.00 44.51 H new ATOM 0 HA ARG A 646 -5.818 -9.881 6.936 1.00 44.13 H new ATOM 0 HB2 ARG A 646 -8.720 -9.436 6.230 1.00 74.24 H new ATOM 0 HB3 ARG A 646 -8.108 -11.075 6.343 1.00 74.24 H new ATOM 0 HG2 ARG A 646 -7.250 -10.574 8.655 1.00 23.14 H new ATOM 0 HG3 ARG A 646 -7.920 -8.959 8.538 1.00 23.14 H new ATOM 0 HD2 ARG A 646 -9.750 -11.310 8.017 1.00 61.14 H new ATOM 0 HD3 ARG A 646 -9.307 -10.952 9.674 1.00 61.14 H new ATOM 0 HE ARG A 646 -10.512 -8.899 9.578 1.00 51.43 H new ATOM 0 HH11 ARG A 646 -10.384 -10.477 6.376 1.00 34.10 H new ATOM 0 HH12 ARG A 646 -11.623 -9.428 5.680 1.00 34.10 H new ATOM 0 HH21 ARG A 646 -12.087 -7.572 8.680 1.00 73.41 H new ATOM 0 HH22 ARG A 646 -12.590 -7.773 6.999 1.00 73.41 H new ATOM 1659 N ILE A 647 -5.699 -11.402 4.902 1.00 62.22 N ATOM 1660 CA ILE A 647 -5.347 -12.119 3.688 1.00 53.23 C ATOM 1661 C ILE A 647 -5.730 -13.592 3.841 1.00 31.12 C ATOM 1662 O ILE A 647 -5.357 -14.235 4.821 1.00 34.13 O ATOM 1663 CB ILE A 647 -3.873 -11.899 3.344 1.00 63.12 C ATOM 1664 CG1 ILE A 647 -3.613 -10.444 2.949 1.00 5.14 C ATOM 1665 CG2 ILE A 647 -3.410 -12.878 2.262 1.00 12.43 C ATOM 1666 CD1 ILE A 647 -2.195 -10.016 3.335 1.00 32.14 C ATOM 0 H ILE A 647 -5.484 -11.897 5.767 1.00 62.22 H new ATOM 0 HA ILE A 647 -5.910 -11.730 2.839 1.00 53.23 H new ATOM 0 HB ILE A 647 -3.281 -12.101 4.236 1.00 63.12 H new ATOM 0 HG12 ILE A 647 -3.753 -10.324 1.875 1.00 5.14 H new ATOM 0 HG13 ILE A 647 -4.339 -9.795 3.439 1.00 5.14 H new ATOM 0 HG21 ILE A 647 -2.359 -12.700 2.036 1.00 12.43 H new ATOM 0 HG22 ILE A 647 -3.537 -13.900 2.618 1.00 12.43 H new ATOM 0 HG23 ILE A 647 -4.005 -12.732 1.360 1.00 12.43 H new ATOM 0 HD11 ILE A 647 -2.036 -8.978 3.043 1.00 32.14 H new ATOM 0 HD12 ILE A 647 -2.066 -10.114 4.413 1.00 32.14 H new ATOM 0 HD13 ILE A 647 -1.471 -10.651 2.824 1.00 32.14 H new ATOM 1678 N GLN A 648 -6.469 -14.084 2.858 1.00 54.01 N ATOM 1679 CA GLN A 648 -6.907 -15.470 2.871 1.00 2.44 C ATOM 1680 C GLN A 648 -6.396 -16.199 1.627 1.00 35.54 C ATOM 1681 O GLN A 648 -7.021 -16.141 0.569 1.00 30.33 O ATOM 1682 CB GLN A 648 -8.430 -15.563 2.975 1.00 14.43 C ATOM 1683 CG GLN A 648 -8.849 -16.743 3.854 1.00 11.35 C ATOM 1684 CD GLN A 648 -10.045 -17.480 3.249 1.00 31.20 C ATOM 1685 OE1 GLN A 648 -11.191 -17.092 3.406 1.00 50.33 O ATOM 1686 NE2 GLN A 648 -9.716 -18.563 2.550 1.00 21.15 N ATOM 0 H GLN A 648 -6.776 -13.548 2.047 1.00 54.01 H new ATOM 0 HA GLN A 648 -6.486 -15.956 3.751 1.00 2.44 H new ATOM 0 HB2 GLN A 648 -8.827 -14.637 3.390 1.00 14.43 H new ATOM 0 HB3 GLN A 648 -8.860 -15.676 1.980 1.00 14.43 H new ATOM 0 HG2 GLN A 648 -8.012 -17.432 3.967 1.00 11.35 H new ATOM 0 HG3 GLN A 648 -9.104 -16.385 4.851 1.00 11.35 H new ATOM 0 HE21 GLN A 648 -8.737 -18.832 2.458 1.00 21.15 H new ATOM 0 HE22 GLN A 648 -10.443 -19.124 2.106 1.00 21.15 H new ATOM 1695 N ALA A 649 -5.266 -16.870 1.796 1.00 52.13 N ATOM 1696 CA ALA A 649 -4.665 -17.610 0.700 1.00 62.34 C ATOM 1697 C ALA A 649 -5.152 -19.060 0.741 1.00 12.01 C ATOM 1698 O ALA A 649 -5.631 -19.528 1.773 1.00 61.42 O ATOM 1699 CB ALA A 649 -3.141 -17.505 0.787 1.00 0.33 C ATOM 0 H ALA A 649 -4.751 -16.917 2.675 1.00 52.13 H new ATOM 0 HA ALA A 649 -4.967 -17.187 -0.258 1.00 62.34 H new ATOM 0 HB1 ALA A 649 -2.690 -18.060 -0.036 1.00 0.33 H new ATOM 0 HB2 ALA A 649 -2.844 -16.458 0.724 1.00 0.33 H new ATOM 0 HB3 ALA A 649 -2.801 -17.922 1.735 1.00 0.33 H new ATOM 1705 N LYS A 650 -5.013 -19.730 -0.393 1.00 74.05 N ATOM 1706 CA LYS A 650 -5.434 -21.117 -0.500 1.00 4.13 C ATOM 1707 C LYS A 650 -4.212 -22.028 -0.359 1.00 13.43 C ATOM 1708 O LYS A 650 -4.330 -23.164 0.098 1.00 1.52 O ATOM 1709 CB LYS A 650 -6.221 -21.341 -1.792 1.00 55.51 C ATOM 1710 CG LYS A 650 -7.329 -20.296 -1.947 1.00 33.55 C ATOM 1711 CD LYS A 650 -8.692 -20.884 -1.576 1.00 33.44 C ATOM 1712 CE LYS A 650 -9.829 -19.997 -2.087 1.00 33.43 C ATOM 1713 NZ LYS A 650 -9.993 -20.156 -3.549 1.00 71.01 N ATOM 0 H LYS A 650 -4.615 -19.338 -1.246 1.00 74.05 H new ATOM 0 HA LYS A 650 -6.118 -21.371 0.310 1.00 4.13 H new ATOM 0 HB2 LYS A 650 -5.546 -21.290 -2.647 1.00 55.51 H new ATOM 0 HB3 LYS A 650 -6.656 -22.340 -1.788 1.00 55.51 H new ATOM 0 HG2 LYS A 650 -7.115 -19.436 -1.312 1.00 33.55 H new ATOM 0 HG3 LYS A 650 -7.352 -19.935 -2.975 1.00 33.55 H new ATOM 0 HD2 LYS A 650 -8.788 -21.884 -1.999 1.00 33.44 H new ATOM 0 HD3 LYS A 650 -8.765 -20.987 -0.493 1.00 33.44 H new ATOM 0 HE2 LYS A 650 -10.758 -20.258 -1.580 1.00 33.43 H new ATOM 0 HE3 LYS A 650 -9.619 -18.954 -1.850 1.00 33.43 H new ATOM 0 HZ1 LYS A 650 -10.901 -19.743 -3.843 1.00 71.01 H new ATOM 0 HZ2 LYS A 650 -9.216 -19.670 -4.040 1.00 71.01 H new ATOM 0 HZ3 LYS A 650 -9.978 -21.167 -3.792 1.00 71.01 H new ATOM 1726 N LYS A 651 -3.067 -21.495 -0.759 1.00 53.24 N ATOM 1727 CA LYS A 651 -1.825 -22.245 -0.683 1.00 74.34 C ATOM 1728 C LYS A 651 -0.793 -21.436 0.104 1.00 21.10 C ATOM 1729 O LYS A 651 -0.763 -20.209 0.018 1.00 73.54 O ATOM 1730 CB LYS A 651 -1.355 -22.646 -2.083 1.00 71.11 C ATOM 1731 CG LYS A 651 -2.060 -23.920 -2.554 1.00 43.14 C ATOM 1732 CD LYS A 651 -1.496 -25.153 -1.845 1.00 41.22 C ATOM 1733 CE LYS A 651 -0.130 -25.537 -2.417 1.00 4.05 C ATOM 1734 NZ LYS A 651 0.196 -26.942 -2.082 1.00 54.42 N ATOM 0 H LYS A 651 -2.973 -20.552 -1.137 1.00 53.24 H new ATOM 0 HA LYS A 651 -1.977 -23.180 -0.143 1.00 74.34 H new ATOM 0 HB2 LYS A 651 -1.555 -21.835 -2.784 1.00 71.11 H new ATOM 0 HB3 LYS A 651 -0.276 -22.804 -2.077 1.00 71.11 H new ATOM 0 HG2 LYS A 651 -3.130 -23.841 -2.359 1.00 43.14 H new ATOM 0 HG3 LYS A 651 -1.940 -24.029 -3.632 1.00 43.14 H new ATOM 0 HD2 LYS A 651 -1.404 -24.953 -0.777 1.00 41.22 H new ATOM 0 HD3 LYS A 651 -2.188 -25.988 -1.954 1.00 41.22 H new ATOM 0 HE2 LYS A 651 -0.132 -25.406 -3.499 1.00 4.05 H new ATOM 0 HE3 LYS A 651 0.638 -24.874 -2.017 1.00 4.05 H new ATOM 0 HZ1 LYS A 651 1.126 -27.186 -2.478 1.00 54.42 H new ATOM 0 HZ2 LYS A 651 0.218 -27.056 -1.049 1.00 54.42 H new ATOM 0 HZ3 LYS A 651 -0.527 -27.572 -2.484 1.00 54.42 H new ATOM 1747 N TRP A 652 0.029 -22.156 0.854 1.00 14.31 N ATOM 1748 CA TRP A 652 1.060 -21.520 1.656 1.00 11.13 C ATOM 1749 C TRP A 652 2.086 -20.903 0.704 1.00 3.21 C ATOM 1750 O TRP A 652 2.939 -20.123 1.126 1.00 40.15 O ATOM 1751 CB TRP A 652 1.680 -22.514 2.641 1.00 54.15 C ATOM 1752 CG TRP A 652 0.658 -23.238 3.520 1.00 40.12 C ATOM 1753 CD1 TRP A 652 -0.165 -24.238 3.176 1.00 53.43 C ATOM 1754 CD2 TRP A 652 0.383 -22.976 4.912 1.00 21.02 C ATOM 1755 NE1 TRP A 652 -0.948 -24.638 4.240 1.00 43.40 N ATOM 1756 CE2 TRP A 652 -0.603 -23.846 5.330 1.00 73.05 C ATOM 1757 CE3 TRP A 652 0.950 -22.035 5.790 1.00 34.11 C ATOM 1758 CZ2 TRP A 652 -1.110 -23.862 6.635 1.00 41.34 C ATOM 1759 CZ3 TRP A 652 0.432 -22.064 7.091 1.00 44.51 C ATOM 1760 CH2 TRP A 652 -0.561 -22.933 7.527 1.00 43.04 C ATOM 0 H TRP A 652 0.002 -23.173 0.923 1.00 14.31 H new ATOM 0 HA TRP A 652 0.635 -20.727 2.272 1.00 11.13 H new ATOM 0 HB2 TRP A 652 2.253 -23.254 2.082 1.00 54.15 H new ATOM 0 HB3 TRP A 652 2.384 -21.984 3.282 1.00 54.15 H new ATOM 0 HD1 TRP A 652 -0.210 -24.676 2.190 1.00 53.43 H new ATOM 0 HE1 TRP A 652 -1.650 -25.378 4.229 1.00 43.40 H new ATOM 0 HE3 TRP A 652 1.723 -21.345 5.485 1.00 34.11 H new ATOM 0 HZ2 TRP A 652 -1.883 -24.553 6.937 1.00 41.34 H new ATOM 0 HZ3 TRP A 652 0.833 -21.361 7.806 1.00 44.51 H new ATOM 0 HH2 TRP A 652 -0.908 -22.892 8.549 1.00 43.04 H new ATOM 1771 N SER A 653 1.970 -21.275 -0.562 1.00 62.30 N ATOM 1772 CA SER A 653 2.877 -20.768 -1.578 1.00 24.15 C ATOM 1773 C SER A 653 2.664 -19.265 -1.767 1.00 14.04 C ATOM 1774 O SER A 653 3.449 -18.603 -2.443 1.00 2.33 O ATOM 1775 CB SER A 653 2.684 -21.503 -2.905 1.00 51.14 C ATOM 1776 OG SER A 653 3.463 -22.694 -2.975 1.00 45.21 O ATOM 0 H SER A 653 1.261 -21.922 -0.908 1.00 62.30 H new ATOM 0 HA SER A 653 3.899 -20.944 -1.242 1.00 24.15 H new ATOM 0 HB2 SER A 653 1.630 -21.751 -3.032 1.00 51.14 H new ATOM 0 HB3 SER A 653 2.957 -20.843 -3.728 1.00 51.14 H new ATOM 0 HG SER A 653 3.310 -23.135 -3.837 1.00 45.21 H new ATOM 1782 N ARG A 654 1.596 -18.770 -1.157 1.00 62.31 N ATOM 1783 CA ARG A 654 1.269 -17.358 -1.250 1.00 1.42 C ATOM 1784 C ARG A 654 1.394 -16.693 0.122 1.00 5.54 C ATOM 1785 O ARG A 654 1.421 -15.467 0.222 1.00 44.20 O ATOM 1786 CB ARG A 654 -0.152 -17.155 -1.779 1.00 51.11 C ATOM 1787 CG ARG A 654 -0.508 -18.222 -2.816 1.00 33.31 C ATOM 1788 CD ARG A 654 0.490 -18.216 -3.975 1.00 5.21 C ATOM 1789 NE ARG A 654 -0.174 -18.665 -5.219 1.00 15.35 N ATOM 1790 CZ ARG A 654 -0.563 -19.936 -5.452 1.00 71.25 C ATOM 1791 NH1 ARG A 654 -0.356 -20.897 -4.527 1.00 62.33 N ATOM 1792 NH2 ARG A 654 -1.149 -20.226 -6.600 1.00 4.25 N ATOM 0 H ARG A 654 0.947 -19.322 -0.597 1.00 62.31 H new ATOM 0 HA ARG A 654 1.972 -16.900 -1.946 1.00 1.42 H new ATOM 0 HB2 ARG A 654 -0.861 -17.195 -0.952 1.00 51.11 H new ATOM 0 HB3 ARG A 654 -0.240 -16.165 -2.226 1.00 51.11 H new ATOM 0 HG2 ARG A 654 -0.516 -19.204 -2.344 1.00 33.31 H new ATOM 0 HG3 ARG A 654 -1.514 -18.043 -3.197 1.00 33.31 H new ATOM 0 HD2 ARG A 654 0.895 -17.213 -4.111 1.00 5.21 H new ATOM 0 HD3 ARG A 654 1.330 -18.871 -3.745 1.00 5.21 H new ATOM 0 HE ARG A 654 -0.348 -17.971 -5.945 1.00 15.35 H new ATOM 0 HH11 ARG A 654 0.098 -20.665 -3.643 1.00 62.33 H new ATOM 0 HH12 ARG A 654 -0.653 -21.855 -4.712 1.00 62.33 H new ATOM 0 HH21 ARG A 654 -1.301 -19.494 -7.294 1.00 4.25 H new ATOM 0 HH22 ARG A 654 -1.449 -21.182 -6.792 1.00 4.25 H new ATOM 1805 N VAL A 655 1.468 -17.530 1.146 1.00 31.41 N ATOM 1806 CA VAL A 655 1.590 -17.039 2.508 1.00 31.01 C ATOM 1807 C VAL A 655 2.546 -15.845 2.531 1.00 0.22 C ATOM 1808 O VAL A 655 3.679 -15.943 2.064 1.00 64.34 O ATOM 1809 CB VAL A 655 2.028 -18.174 3.437 1.00 50.45 C ATOM 1810 CG1 VAL A 655 2.806 -17.630 4.636 1.00 25.54 C ATOM 1811 CG2 VAL A 655 0.826 -19.004 3.893 1.00 44.34 C ATOM 0 H VAL A 655 1.446 -18.546 1.060 1.00 31.41 H new ATOM 0 HA VAL A 655 0.625 -16.690 2.876 1.00 31.01 H new ATOM 0 HB VAL A 655 2.693 -18.830 2.875 1.00 50.45 H new ATOM 0 HG11 VAL A 655 3.106 -18.456 5.281 1.00 25.54 H new ATOM 0 HG12 VAL A 655 3.693 -17.103 4.285 1.00 25.54 H new ATOM 0 HG13 VAL A 655 2.174 -16.942 5.198 1.00 25.54 H new ATOM 0 HG21 VAL A 655 1.165 -19.804 4.552 1.00 44.34 H new ATOM 0 HG22 VAL A 655 0.125 -18.365 4.429 1.00 44.34 H new ATOM 0 HG23 VAL A 655 0.331 -19.436 3.023 1.00 44.34 H new ATOM 1821 N PRO A 656 2.041 -14.715 3.095 1.00 52.24 N ATOM 1822 CA PRO A 656 2.837 -13.503 3.185 1.00 42.13 C ATOM 1823 C PRO A 656 3.893 -13.621 4.286 1.00 61.23 C ATOM 1824 O PRO A 656 5.069 -13.341 4.056 1.00 74.50 O ATOM 1825 CB PRO A 656 1.833 -12.391 3.441 1.00 5.33 C ATOM 1826 CG PRO A 656 0.574 -13.075 3.947 1.00 55.34 C ATOM 1827 CD PRO A 656 0.703 -14.561 3.659 1.00 71.54 C ATOM 0 HA PRO A 656 3.407 -13.305 2.277 1.00 42.13 H new ATOM 0 HB2 PRO A 656 2.214 -11.682 4.176 1.00 5.33 H new ATOM 0 HB3 PRO A 656 1.632 -11.828 2.529 1.00 5.33 H new ATOM 0 HG2 PRO A 656 0.449 -12.903 5.016 1.00 55.34 H new ATOM 0 HG3 PRO A 656 -0.307 -12.666 3.453 1.00 55.34 H new ATOM 0 HD2 PRO A 656 0.586 -15.152 4.567 1.00 71.54 H new ATOM 0 HD3 PRO A 656 -0.063 -14.897 2.959 1.00 71.54 H new ATOM 1835 N PHE A 657 3.436 -14.036 5.458 1.00 73.42 N ATOM 1836 CA PHE A 657 4.326 -14.195 6.595 1.00 62.31 C ATOM 1837 C PHE A 657 5.303 -15.351 6.369 1.00 45.33 C ATOM 1838 O PHE A 657 5.064 -16.215 5.527 1.00 63.01 O ATOM 1839 CB PHE A 657 3.450 -14.514 7.808 1.00 61.21 C ATOM 1840 CG PHE A 657 2.754 -15.875 7.732 1.00 11.43 C ATOM 1841 CD1 PHE A 657 1.546 -15.987 7.117 1.00 65.35 C ATOM 1842 CD2 PHE A 657 3.342 -16.971 8.281 1.00 64.11 C ATOM 1843 CE1 PHE A 657 0.900 -17.250 7.046 1.00 4.24 C ATOM 1844 CE2 PHE A 657 2.696 -18.234 8.211 1.00 42.42 C ATOM 1845 CZ PHE A 657 1.489 -18.346 7.595 1.00 32.30 C ATOM 0 H PHE A 657 2.460 -14.267 5.645 1.00 73.42 H new ATOM 0 HA PHE A 657 4.908 -13.285 6.741 1.00 62.31 H new ATOM 0 HB2 PHE A 657 4.066 -14.482 8.707 1.00 61.21 H new ATOM 0 HB3 PHE A 657 2.694 -13.736 7.912 1.00 61.21 H new ATOM 0 HD1 PHE A 657 1.078 -15.116 6.683 1.00 65.35 H new ATOM 0 HD2 PHE A 657 4.301 -16.881 8.770 1.00 64.11 H new ATOM 0 HE1 PHE A 657 -0.058 -17.340 6.556 1.00 4.24 H new ATOM 0 HE2 PHE A 657 3.163 -19.105 8.647 1.00 42.42 H new ATOM 0 HZ PHE A 657 0.998 -19.306 7.542 1.00 32.30 H new ATOM 1855 N SER A 658 6.384 -15.328 7.135 1.00 30.32 N ATOM 1856 CA SER A 658 7.398 -16.363 7.029 1.00 24.20 C ATOM 1857 C SER A 658 7.055 -17.530 7.957 1.00 33.00 C ATOM 1858 O SER A 658 6.440 -17.335 9.004 1.00 14.31 O ATOM 1859 CB SER A 658 8.786 -15.811 7.362 1.00 13.34 C ATOM 1860 OG SER A 658 9.058 -14.596 6.668 1.00 33.30 O ATOM 0 H SER A 658 6.580 -14.609 7.831 1.00 30.32 H new ATOM 0 HA SER A 658 7.415 -16.719 5.999 1.00 24.20 H new ATOM 0 HB2 SER A 658 8.860 -15.639 8.436 1.00 13.34 H new ATOM 0 HB3 SER A 658 9.542 -16.553 7.105 1.00 13.34 H new ATOM 0 HG SER A 658 9.952 -14.275 6.909 1.00 33.30 H new ATOM 1866 N VAL A 659 7.467 -18.718 7.539 1.00 10.22 N ATOM 1867 CA VAL A 659 7.210 -19.916 8.320 1.00 65.22 C ATOM 1868 C VAL A 659 8.476 -20.774 8.360 1.00 65.44 C ATOM 1869 O VAL A 659 8.741 -21.540 7.434 1.00 21.00 O ATOM 1870 CB VAL A 659 6.001 -20.661 7.752 1.00 34.53 C ATOM 1871 CG1 VAL A 659 5.358 -21.553 8.816 1.00 33.41 C ATOM 1872 CG2 VAL A 659 4.980 -19.684 7.166 1.00 10.23 C ATOM 0 H VAL A 659 7.977 -18.876 6.670 1.00 10.22 H new ATOM 0 HA VAL A 659 6.961 -19.656 9.349 1.00 65.22 H new ATOM 0 HB VAL A 659 6.352 -21.303 6.944 1.00 34.53 H new ATOM 0 HG11 VAL A 659 4.501 -22.071 8.387 1.00 33.41 H new ATOM 0 HG12 VAL A 659 6.086 -22.284 9.166 1.00 33.41 H new ATOM 0 HG13 VAL A 659 5.028 -20.939 9.654 1.00 33.41 H new ATOM 0 HG21 VAL A 659 4.131 -20.240 6.769 1.00 10.23 H new ATOM 0 HG22 VAL A 659 4.637 -19.005 7.947 1.00 10.23 H new ATOM 0 HG23 VAL A 659 5.444 -19.110 6.364 1.00 10.23 H new ATOM 1882 N PRO A 660 9.245 -20.614 9.470 1.00 41.30 N ATOM 1883 CA PRO A 660 10.477 -21.365 9.643 1.00 51.44 C ATOM 1884 C PRO A 660 10.185 -22.820 10.013 1.00 14.05 C ATOM 1885 O PRO A 660 9.196 -23.106 10.687 1.00 72.12 O ATOM 1886 CB PRO A 660 11.244 -20.619 10.722 1.00 22.14 C ATOM 1887 CG PRO A 660 10.220 -19.754 11.440 1.00 62.44 C ATOM 1888 CD PRO A 660 8.963 -19.716 10.586 1.00 30.14 C ATOM 0 HA PRO A 660 11.064 -21.427 8.727 1.00 51.44 H new ATOM 0 HB2 PRO A 660 11.721 -21.314 11.413 1.00 22.14 H new ATOM 0 HB3 PRO A 660 12.035 -20.008 10.287 1.00 22.14 H new ATOM 0 HG2 PRO A 660 9.999 -20.162 12.426 1.00 62.44 H new ATOM 0 HG3 PRO A 660 10.609 -18.747 11.592 1.00 62.44 H new ATOM 0 HD2 PRO A 660 8.091 -20.047 11.150 1.00 30.14 H new ATOM 0 HD3 PRO A 660 8.752 -18.705 10.237 1.00 30.14 H new ATOM 1896 N ASP A 661 11.063 -23.701 9.558 1.00 71.11 N ATOM 1897 CA ASP A 661 10.911 -25.120 9.833 1.00 5.35 C ATOM 1898 C ASP A 661 10.851 -25.337 11.347 1.00 64.33 C ATOM 1899 O ASP A 661 11.424 -24.563 12.112 1.00 14.20 O ATOM 1900 CB ASP A 661 12.098 -25.916 9.288 1.00 23.41 C ATOM 1901 CG ASP A 661 13.463 -25.506 9.844 1.00 2.14 C ATOM 1902 OD1 ASP A 661 13.769 -24.311 9.968 1.00 43.42 O ATOM 1903 OD2 ASP A 661 14.239 -26.486 10.162 1.00 5.13 O ATOM 0 H ASP A 661 11.882 -23.460 9.001 1.00 71.11 H new ATOM 0 HA ASP A 661 9.995 -25.462 9.350 1.00 5.35 H new ATOM 0 HB2 ASP A 661 11.937 -26.972 9.504 1.00 23.41 H new ATOM 0 HB3 ASP A 661 12.118 -25.812 8.203 1.00 23.41 H new ATOM 1909 N PHE A 662 10.153 -26.395 11.733 1.00 23.10 N ATOM 1910 CA PHE A 662 10.011 -26.724 13.141 1.00 30.31 C ATOM 1911 C PHE A 662 11.376 -26.787 13.830 1.00 14.23 C ATOM 1912 O PHE A 662 12.220 -27.606 13.471 1.00 52.14 O ATOM 1913 CB PHE A 662 9.353 -28.104 13.214 1.00 53.54 C ATOM 1914 CG PHE A 662 9.262 -28.676 14.630 1.00 54.14 C ATOM 1915 CD1 PHE A 662 8.510 -28.045 15.571 1.00 13.10 C ATOM 1916 CD2 PHE A 662 9.933 -29.815 14.947 1.00 75.51 C ATOM 1917 CE1 PHE A 662 8.425 -28.576 16.885 1.00 23.02 C ATOM 1918 CE2 PHE A 662 9.848 -30.347 16.261 1.00 1.41 C ATOM 1919 CZ PHE A 662 9.096 -29.716 17.203 1.00 42.35 C ATOM 0 H PHE A 662 9.680 -27.035 11.095 1.00 23.10 H new ATOM 0 HA PHE A 662 9.415 -25.961 13.643 1.00 30.31 H new ATOM 0 HB2 PHE A 662 8.349 -28.039 12.794 1.00 53.54 H new ATOM 0 HB3 PHE A 662 9.916 -28.797 12.589 1.00 53.54 H new ATOM 0 HD1 PHE A 662 7.977 -27.140 15.319 1.00 13.10 H new ATOM 0 HD2 PHE A 662 10.531 -30.315 14.200 1.00 75.51 H new ATOM 0 HE1 PHE A 662 7.828 -28.075 17.632 1.00 23.02 H new ATOM 0 HE2 PHE A 662 10.380 -31.252 16.512 1.00 1.41 H new ATOM 0 HZ PHE A 662 9.032 -30.120 18.203 1.00 42.35 H new ATOM 1929 N ASP A 663 11.549 -25.910 14.809 1.00 64.44 N ATOM 1930 CA ASP A 663 12.797 -25.856 15.551 1.00 1.43 C ATOM 1931 C ASP A 663 12.873 -27.052 16.501 1.00 30.44 C ATOM 1932 O ASP A 663 12.586 -26.925 17.691 1.00 51.34 O ATOM 1933 CB ASP A 663 12.883 -24.579 16.391 1.00 73.41 C ATOM 1934 CG ASP A 663 13.277 -23.321 15.616 1.00 54.44 C ATOM 1935 OD1 ASP A 663 14.386 -22.791 15.778 1.00 22.43 O ATOM 1936 OD2 ASP A 663 12.377 -22.876 14.804 1.00 24.15 O ATOM 0 H ASP A 663 10.846 -25.232 15.105 1.00 64.44 H new ATOM 0 HA ASP A 663 13.617 -25.872 14.833 1.00 1.43 H new ATOM 0 HB2 ASP A 663 11.916 -24.408 16.865 1.00 73.41 H new ATOM 0 HB3 ASP A 663 13.607 -24.736 17.191 1.00 73.41 H new ATOM 1942 N PHE A 664 13.261 -28.188 15.941 1.00 62.51 N ATOM 1943 CA PHE A 664 13.378 -29.407 16.723 1.00 24.24 C ATOM 1944 C PHE A 664 14.448 -29.262 17.808 1.00 52.20 C ATOM 1945 O PHE A 664 14.336 -29.857 18.878 1.00 23.34 O ATOM 1946 CB PHE A 664 13.795 -30.519 15.759 1.00 61.40 C ATOM 1947 CG PHE A 664 14.073 -31.861 16.440 1.00 60.45 C ATOM 1948 CD1 PHE A 664 13.393 -32.207 17.565 1.00 15.33 C ATOM 1949 CD2 PHE A 664 15.000 -32.709 15.919 1.00 45.23 C ATOM 1950 CE1 PHE A 664 13.650 -33.452 18.197 1.00 44.01 C ATOM 1951 CE2 PHE A 664 15.258 -33.954 16.550 1.00 24.24 C ATOM 1952 CZ PHE A 664 14.578 -34.299 17.676 1.00 31.42 C ATOM 0 H PHE A 664 13.499 -28.290 14.954 1.00 62.51 H new ATOM 0 HA PHE A 664 12.429 -29.627 17.212 1.00 24.24 H new ATOM 0 HB2 PHE A 664 13.009 -30.656 15.017 1.00 61.40 H new ATOM 0 HB3 PHE A 664 14.689 -30.204 15.222 1.00 61.40 H new ATOM 0 HD1 PHE A 664 12.656 -31.534 17.979 1.00 15.33 H new ATOM 0 HD2 PHE A 664 15.540 -32.435 15.025 1.00 45.23 H new ATOM 0 HE1 PHE A 664 13.109 -33.726 19.091 1.00 44.01 H new ATOM 0 HE2 PHE A 664 15.994 -34.627 16.136 1.00 24.24 H new ATOM 0 HZ PHE A 664 14.775 -35.246 18.157 1.00 31.42 H new ATOM 1962 N LEU A 665 15.460 -28.466 17.494 1.00 73.55 N ATOM 1963 CA LEU A 665 16.548 -28.235 18.428 1.00 62.21 C ATOM 1964 C LEU A 665 16.009 -27.509 19.662 1.00 24.54 C ATOM 1965 O LEU A 665 16.443 -27.776 20.782 1.00 33.42 O ATOM 1966 CB LEU A 665 17.700 -27.502 17.738 1.00 62.24 C ATOM 1967 CG LEU A 665 18.150 -28.076 16.392 1.00 11.23 C ATOM 1968 CD1 LEU A 665 19.524 -27.533 15.997 1.00 45.02 C ATOM 1969 CD2 LEU A 665 18.121 -29.605 16.411 1.00 24.43 C ATOM 0 H LEU A 665 15.549 -27.973 16.605 1.00 73.55 H new ATOM 0 HA LEU A 665 16.963 -29.183 18.771 1.00 62.21 H new ATOM 0 HB2 LEU A 665 17.405 -26.463 17.587 1.00 62.24 H new ATOM 0 HB3 LEU A 665 18.556 -27.496 18.412 1.00 62.24 H new ATOM 0 HG LEU A 665 17.444 -27.751 15.628 1.00 11.23 H new ATOM 0 HD11 LEU A 665 19.820 -27.956 15.037 1.00 45.02 H new ATOM 0 HD12 LEU A 665 19.476 -26.447 15.915 1.00 45.02 H new ATOM 0 HD13 LEU A 665 20.256 -27.808 16.756 1.00 45.02 H new ATOM 0 HD21 LEU A 665 18.445 -29.987 15.443 1.00 24.43 H new ATOM 0 HD22 LEU A 665 18.791 -29.972 17.189 1.00 24.43 H new ATOM 0 HD23 LEU A 665 17.106 -29.947 16.615 1.00 24.43 H new ATOM 1981 N GLN A 666 15.072 -26.606 19.416 1.00 21.11 N ATOM 1982 CA GLN A 666 14.469 -25.840 20.494 1.00 45.13 C ATOM 1983 C GLN A 666 13.402 -26.673 21.205 1.00 73.50 C ATOM 1984 O GLN A 666 13.514 -26.943 22.400 1.00 71.42 O ATOM 1985 CB GLN A 666 13.882 -24.527 19.971 1.00 24.24 C ATOM 1986 CG GLN A 666 13.590 -23.561 21.121 1.00 23.24 C ATOM 1987 CD GLN A 666 13.664 -22.108 20.649 1.00 55.13 C ATOM 1988 OE1 GLN A 666 12.719 -21.556 20.108 1.00 45.40 O ATOM 1989 NE2 GLN A 666 14.834 -21.521 20.882 1.00 22.40 N ATOM 0 H GLN A 666 14.715 -26.387 18.486 1.00 21.11 H new ATOM 0 HA GLN A 666 15.247 -25.590 21.216 1.00 45.13 H new ATOM 0 HB2 GLN A 666 14.579 -24.066 19.272 1.00 24.24 H new ATOM 0 HB3 GLN A 666 12.964 -24.729 19.419 1.00 24.24 H new ATOM 0 HG2 GLN A 666 12.600 -23.765 21.529 1.00 23.24 H new ATOM 0 HG3 GLN A 666 14.306 -23.722 21.927 1.00 23.24 H new ATOM 0 HE21 GLN A 666 15.583 -22.041 21.339 1.00 22.40 H new ATOM 0 HE22 GLN A 666 14.982 -20.551 20.604 1.00 22.40 H new ATOM 1998 N HIS A 667 12.390 -27.058 20.440 1.00 23.05 N ATOM 1999 CA HIS A 667 11.303 -27.855 20.983 1.00 63.43 C ATOM 2000 C HIS A 667 11.876 -29.016 21.799 1.00 73.13 C ATOM 2001 O HIS A 667 11.414 -29.289 22.906 1.00 53.05 O ATOM 2002 CB HIS A 667 10.363 -28.321 19.869 1.00 11.51 C ATOM 2003 CG HIS A 667 9.467 -27.232 19.328 1.00 74.33 C ATOM 2004 ND1 HIS A 667 9.590 -26.445 18.221 1.00 75.25 N flip ATOM 2005 CD2 HIS A 667 8.288 -26.855 19.947 1.00 12.30 C flip ATOM 2006 CE1 HIS A 667 8.542 -25.632 18.166 1.00 32.32 C flip ATOM 2007 NE2 HIS A 667 7.734 -25.884 19.235 1.00 41.31 N flip ATOM 0 H HIS A 667 12.300 -26.833 19.449 1.00 23.05 H new ATOM 0 HA HIS A 667 10.701 -27.245 21.657 1.00 63.43 H new ATOM 0 HB2 HIS A 667 10.958 -28.728 19.051 1.00 11.51 H new ATOM 0 HB3 HIS A 667 9.743 -29.134 20.247 1.00 11.51 H new ATOM 0 HD1 HIS A 667 10.357 -26.476 17.549 1.00 75.25 H new ATOM 0 HD2 HIS A 667 7.888 -27.280 20.856 1.00 12.30 H new ATOM 0 HE1 HIS A 667 8.359 -24.893 17.400 1.00 32.32 H new ATOM 2015 N CYS A 668 12.874 -29.668 21.220 1.00 35.35 N ATOM 2016 CA CYS A 668 13.514 -30.793 21.880 1.00 21.51 C ATOM 2017 C CYS A 668 14.251 -30.270 23.114 1.00 25.43 C ATOM 2018 O CYS A 668 14.317 -30.951 24.137 1.00 3.41 O ATOM 2019 CB CYS A 668 14.450 -31.547 20.933 1.00 40.44 C ATOM 2020 SG CYS A 668 15.021 -33.097 21.719 1.00 62.22 S ATOM 0 H CYS A 668 13.255 -29.439 20.302 1.00 35.35 H new ATOM 0 HA CYS A 668 12.758 -31.515 22.188 1.00 21.51 H new ATOM 0 HB2 CYS A 668 13.933 -31.772 20.000 1.00 40.44 H new ATOM 0 HB3 CYS A 668 15.306 -30.921 20.680 1.00 40.44 H new ATOM 0 HG CYS A 668 15.813 -33.730 20.905 1.00 62.22 H new ATOM 2026 N ALA A 669 14.788 -29.067 22.978 1.00 54.51 N ATOM 2027 CA ALA A 669 15.518 -28.444 24.069 1.00 32.44 C ATOM 2028 C ALA A 669 14.528 -27.978 25.139 1.00 41.43 C ATOM 2029 O ALA A 669 14.928 -27.615 26.244 1.00 21.30 O ATOM 2030 CB ALA A 669 16.371 -27.297 23.524 1.00 23.54 C ATOM 0 H ALA A 669 14.732 -28.506 22.128 1.00 54.51 H new ATOM 0 HA ALA A 669 16.195 -29.160 24.536 1.00 32.44 H new ATOM 0 HB1 ALA A 669 16.918 -26.830 24.343 1.00 23.54 H new ATOM 0 HB2 ALA A 669 17.077 -27.686 22.790 1.00 23.54 H new ATOM 0 HB3 ALA A 669 15.726 -26.557 23.050 1.00 23.54 H new ATOM 2036 N GLU A 670 13.255 -28.002 24.772 1.00 1.50 N ATOM 2037 CA GLU A 670 12.205 -27.585 25.686 1.00 21.31 C ATOM 2038 C GLU A 670 11.291 -28.766 26.017 1.00 33.43 C ATOM 2039 O GLU A 670 10.360 -28.632 26.810 1.00 30.22 O ATOM 2040 CB GLU A 670 11.404 -26.418 25.106 1.00 3.22 C ATOM 2041 CG GLU A 670 12.016 -25.076 25.516 1.00 72.43 C ATOM 2042 CD GLU A 670 10.955 -23.974 25.539 1.00 74.41 C ATOM 2043 OE1 GLU A 670 10.445 -23.627 26.615 1.00 71.14 O ATOM 2044 OE2 GLU A 670 10.664 -23.473 24.386 1.00 2.24 O ATOM 0 H GLU A 670 12.927 -28.304 23.854 1.00 1.50 H new ATOM 0 HA GLU A 670 12.670 -27.240 26.609 1.00 21.31 H new ATOM 0 HB2 GLU A 670 11.379 -26.494 24.019 1.00 3.22 H new ATOM 0 HB3 GLU A 670 10.372 -26.472 25.453 1.00 3.22 H new ATOM 0 HG2 GLU A 670 12.473 -25.167 26.501 1.00 72.43 H new ATOM 0 HG3 GLU A 670 12.810 -24.807 24.820 1.00 72.43 H new ATOM 2052 N ASN A 671 11.588 -29.897 25.393 1.00 12.22 N ATOM 2053 CA ASN A 671 10.804 -31.101 25.612 1.00 50.42 C ATOM 2054 C ASN A 671 11.614 -32.084 26.459 1.00 35.22 C ATOM 2055 O ASN A 671 11.053 -33.001 27.057 1.00 21.34 O ATOM 2056 CB ASN A 671 10.466 -31.786 24.286 1.00 14.33 C ATOM 2057 CG ASN A 671 9.178 -31.217 23.688 1.00 15.41 C ATOM 2058 OD1 ASN A 671 8.300 -31.936 23.240 1.00 12.22 O ATOM 2059 ND2 ASN A 671 9.114 -29.888 23.706 1.00 72.33 N ATOM 0 H ASN A 671 12.361 -30.005 24.736 1.00 12.22 H new ATOM 0 HA ASN A 671 9.881 -30.816 26.117 1.00 50.42 H new ATOM 0 HB2 ASN A 671 11.288 -31.651 23.583 1.00 14.33 H new ATOM 0 HB3 ASN A 671 10.355 -32.859 24.445 1.00 14.33 H new ATOM 0 HD21 ASN A 671 8.294 -29.412 23.330 1.00 72.33 H new ATOM 0 HD22 ASN A 671 9.885 -29.346 24.096 1.00 72.33 H new ATOM 2066 N LEU A 672 12.919 -31.860 26.483 1.00 1.23 N ATOM 2067 CA LEU A 672 13.811 -32.715 27.247 1.00 4.15 C ATOM 2068 C LEU A 672 14.063 -32.085 28.619 1.00 24.50 C ATOM 2069 O LEU A 672 13.470 -31.062 28.955 1.00 52.33 O ATOM 2070 CB LEU A 672 15.090 -32.998 26.456 1.00 1.14 C ATOM 2071 CG LEU A 672 14.934 -33.897 25.228 1.00 31.24 C ATOM 2072 CD1 LEU A 672 16.283 -34.477 24.798 1.00 12.40 C ATOM 2073 CD2 LEU A 672 13.894 -34.991 25.479 1.00 72.05 C ATOM 0 H LEU A 672 13.380 -31.098 25.985 1.00 1.23 H new ATOM 0 HA LEU A 672 13.350 -33.687 27.422 1.00 4.15 H new ATOM 0 HB2 LEU A 672 15.512 -32.046 26.134 1.00 1.14 H new ATOM 0 HB3 LEU A 672 15.815 -33.457 27.128 1.00 1.14 H new ATOM 0 HG LEU A 672 14.568 -33.287 24.402 1.00 31.24 H new ATOM 0 HD11 LEU A 672 16.144 -35.112 23.923 1.00 12.40 H new ATOM 0 HD12 LEU A 672 16.966 -33.664 24.551 1.00 12.40 H new ATOM 0 HD13 LEU A 672 16.701 -35.068 25.613 1.00 12.40 H new ATOM 0 HD21 LEU A 672 13.802 -35.616 24.591 1.00 72.05 H new ATOM 0 HD22 LEU A 672 14.208 -35.604 26.324 1.00 72.05 H new ATOM 0 HD23 LEU A 672 12.930 -34.533 25.701 1.00 72.05 H new ATOM 2085 N SER A 673 14.945 -32.724 29.375 1.00 74.02 N ATOM 2086 CA SER A 673 15.282 -32.239 30.702 1.00 24.43 C ATOM 2087 C SER A 673 16.789 -31.990 30.801 1.00 53.13 C ATOM 2088 O SER A 673 17.309 -31.730 31.885 1.00 62.35 O ATOM 2089 CB SER A 673 14.837 -33.230 31.780 1.00 40.10 C ATOM 2090 OG SER A 673 13.456 -33.086 32.099 1.00 34.11 O ATOM 0 H SER A 673 15.436 -33.573 29.093 1.00 74.02 H new ATOM 0 HA SER A 673 14.753 -31.301 30.868 1.00 24.43 H new ATOM 0 HB2 SER A 673 15.026 -34.247 31.438 1.00 40.10 H new ATOM 0 HB3 SER A 673 15.434 -33.080 32.679 1.00 40.10 H new ATOM 0 HG SER A 673 13.210 -33.737 32.789 1.00 34.11 H new ATOM 2096 N ASP A 674 17.447 -32.077 29.654 1.00 33.40 N ATOM 2097 CA ASP A 674 18.883 -31.864 29.597 1.00 30.32 C ATOM 2098 C ASP A 674 19.199 -30.430 30.024 1.00 14.54 C ATOM 2099 O ASP A 674 20.346 -30.107 30.329 1.00 51.24 O ATOM 2100 CB ASP A 674 19.413 -32.062 28.176 1.00 42.12 C ATOM 2101 CG ASP A 674 20.918 -32.318 28.077 1.00 45.41 C ATOM 2102 OD1 ASP A 674 21.431 -33.322 28.594 1.00 40.45 O ATOM 2103 OD2 ASP A 674 21.582 -31.422 27.428 1.00 41.21 O ATOM 0 H ASP A 674 17.012 -32.292 28.757 1.00 33.40 H new ATOM 0 HA ASP A 674 19.357 -32.585 30.263 1.00 30.32 H new ATOM 0 HB2 ASP A 674 18.886 -32.901 27.722 1.00 42.12 H new ATOM 0 HB3 ASP A 674 19.171 -31.177 27.587 1.00 42.12 H new ATOM 2109 N LEU A 675 18.160 -29.607 30.034 1.00 42.34 N ATOM 2110 CA LEU A 675 18.312 -28.214 30.418 1.00 4.15 C ATOM 2111 C LEU A 675 18.174 -28.091 31.937 1.00 11.12 C ATOM 2112 O LEU A 675 19.111 -27.676 32.618 1.00 55.31 O ATOM 2113 CB LEU A 675 17.335 -27.333 29.638 1.00 13.44 C ATOM 2114 CG LEU A 675 17.464 -27.373 28.114 1.00 24.34 C ATOM 2115 CD1 LEU A 675 18.861 -26.932 27.671 1.00 75.10 C ATOM 2116 CD2 LEU A 675 17.100 -28.756 27.570 1.00 43.01 C ATOM 0 H LEU A 675 17.210 -29.879 29.782 1.00 42.34 H new ATOM 0 HA LEU A 675 19.307 -27.853 30.157 1.00 4.15 H new ATOM 0 HB2 LEU A 675 16.320 -27.627 29.904 1.00 13.44 H new ATOM 0 HB3 LEU A 675 17.465 -26.302 29.967 1.00 13.44 H new ATOM 0 HG LEU A 675 16.753 -26.663 27.691 1.00 24.34 H new ATOM 0 HD11 LEU A 675 18.927 -26.969 26.584 1.00 75.10 H new ATOM 0 HD12 LEU A 675 19.046 -25.913 28.011 1.00 75.10 H new ATOM 0 HD13 LEU A 675 19.607 -27.599 28.103 1.00 75.10 H new ATOM 0 HD21 LEU A 675 17.200 -28.758 26.485 1.00 43.01 H new ATOM 0 HD22 LEU A 675 17.769 -29.503 27.997 1.00 43.01 H new ATOM 0 HD23 LEU A 675 16.071 -28.994 27.840 1.00 43.01 H new ATOM 2128 N SER A 676 16.998 -28.459 32.424 1.00 60.41 N ATOM 2129 CA SER A 676 16.725 -28.396 33.850 1.00 52.54 C ATOM 2130 C SER A 676 15.405 -29.104 34.162 1.00 41.12 C ATOM 2131 O SER A 676 14.707 -29.552 33.254 1.00 62.44 O ATOM 2132 CB SER A 676 16.677 -26.946 34.337 1.00 64.01 C ATOM 2133 OG SER A 676 15.374 -26.384 34.215 1.00 75.14 O ATOM 0 H SER A 676 16.223 -28.802 31.856 1.00 60.41 H new ATOM 0 HA SER A 676 17.534 -28.902 34.376 1.00 52.54 H new ATOM 0 HB2 SER A 676 16.994 -26.903 35.379 1.00 64.01 H new ATOM 0 HB3 SER A 676 17.385 -26.348 33.764 1.00 64.01 H new ATOM 0 HG SER A 676 15.385 -25.459 34.538 1.00 75.14 H new ATOM 2139 N LEU A 677 15.103 -29.182 35.449 1.00 32.53 N ATOM 2140 CA LEU A 677 13.879 -29.829 35.893 1.00 41.43 C ATOM 2141 C LEU A 677 12.965 -28.789 36.544 1.00 4.41 C ATOM 2142 O LEU A 677 11.750 -28.821 36.357 1.00 1.13 O ATOM 2143 CB LEU A 677 14.200 -31.019 36.799 1.00 71.12 C ATOM 2144 CG LEU A 677 15.405 -31.868 36.389 1.00 73.51 C ATOM 2145 CD1 LEU A 677 15.431 -32.088 34.875 1.00 1.01 C ATOM 2146 CD2 LEU A 677 16.709 -31.254 36.902 1.00 74.21 C ATOM 0 H LEU A 677 15.684 -28.808 36.199 1.00 32.53 H new ATOM 0 HA LEU A 677 13.337 -30.243 35.043 1.00 41.43 H new ATOM 0 HB2 LEU A 677 14.370 -30.646 37.809 1.00 71.12 H new ATOM 0 HB3 LEU A 677 13.323 -31.665 36.841 1.00 71.12 H new ATOM 0 HG LEU A 677 15.306 -32.848 36.855 1.00 73.51 H new ATOM 0 HD11 LEU A 677 16.297 -32.694 34.610 1.00 1.01 H new ATOM 0 HD12 LEU A 677 14.521 -32.602 34.566 1.00 1.01 H new ATOM 0 HD13 LEU A 677 15.494 -31.125 34.368 1.00 1.01 H new ATOM 0 HD21 LEU A 677 17.549 -31.877 36.597 1.00 74.21 H new ATOM 0 HD22 LEU A 677 16.829 -30.254 36.486 1.00 74.21 H new ATOM 0 HD23 LEU A 677 16.679 -31.193 37.990 1.00 74.21 H new ATOM 2158 N ASP A 678 13.586 -27.891 37.295 1.00 14.52 N ATOM 2159 CA ASP A 678 12.843 -26.843 37.975 1.00 4.33 C ATOM 2160 C ASP A 678 11.943 -26.125 36.968 1.00 61.14 C ATOM 2161 O ASP A 678 10.730 -26.048 37.158 1.00 24.00 O ATOM 2162 CB ASP A 678 13.788 -25.807 38.587 1.00 43.51 C ATOM 2163 CG ASP A 678 13.149 -24.879 39.622 1.00 34.42 C ATOM 2164 OD1 ASP A 678 13.805 -23.979 40.165 1.00 4.33 O ATOM 2165 OD2 ASP A 678 11.904 -25.114 39.869 1.00 24.12 O ATOM 0 H ASP A 678 14.594 -27.867 37.448 1.00 14.52 H new ATOM 0 HA ASP A 678 12.254 -27.307 38.766 1.00 4.33 H new ATOM 0 HB2 ASP A 678 14.621 -26.330 39.056 1.00 43.51 H new ATOM 0 HB3 ASP A 678 14.205 -25.199 37.784 1.00 43.51 H new TER 2171 ASP A 678 HETATM 2172 ZN ZN A 679 -12.989 -22.725 13.300 1.00 15.44 ZN