USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-5.9!) USER MOD Single : B 556 GLN : amide:sc= -0.0564 K(o=-0.056,f=-1.8!) USER MOD Single : B 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN :FLIP amide:sc= -0.0189 F(o=-0.67,f=-0.019) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS :FLIP no HD1:sc= -2.52! C(o=-3.4!,f=-2.5!) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.235) USER MOD Single : B 582 THR OG1 : rot 90:sc= 1.23 USER MOD Single : B 584 MET CE :methyl 147:sc= -1.55 (180deg=-3.14) USER MOD Single : B 590 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.7!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HE2:sc= 0.246 K(o=0.25,f=-1) USER MOD Single : B 596 MET CE :methyl 168:sc= -0.332 (180deg=-0.761) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot -170:sc= -0.147 USER MOD Single : B 606 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0234) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 9.032 -2.586 -6.150 1.00 0.00 N ATOM 68 CA VAL A 77 8.914 -4.022 -5.928 1.00 0.00 C ATOM 69 C VAL A 77 10.286 -4.674 -5.809 1.00 0.00 C ATOM 70 O VAL A 77 10.769 -5.336 -6.729 1.00 0.00 O ATOM 71 CB VAL A 77 8.130 -4.703 -7.066 1.00 0.00 C ATOM 72 CG1 VAL A 77 6.645 -4.397 -6.949 1.00 0.00 C ATOM 73 CG2 VAL A 77 8.669 -4.265 -8.419 1.00 0.00 C ATOM 0 HA VAL A 77 8.370 -4.154 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 77 8.261 -5.782 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.108 -4.886 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.272 -4.765 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.490 -3.320 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.104 -4.755 -9.212 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.569 -3.184 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.720 -4.541 -8.499 1.00 0.00 H new ATOM 83 N PRO A 78 10.932 -4.486 -4.649 1.00 0.00 N ATOM 84 CA PRO A 78 12.259 -5.050 -4.380 1.00 0.00 C ATOM 85 C PRO A 78 12.224 -6.566 -4.228 1.00 0.00 C ATOM 86 O PRO A 78 11.400 -7.107 -3.491 1.00 0.00 O ATOM 87 CB PRO A 78 12.665 -4.389 -3.061 1.00 0.00 C ATOM 88 CG PRO A 78 11.376 -4.041 -2.399 1.00 0.00 C ATOM 89 CD PRO A 78 10.417 -3.709 -3.509 1.00 0.00 C ATOM 0 HA PRO A 78 12.955 -4.863 -5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.256 -5.066 -2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.274 -3.501 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.007 -4.874 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.500 -3.194 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.396 -3.995 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.405 -2.640 -3.724 1.00 0.00 H new ATOM 97 N ASN A 79 13.124 -7.248 -4.929 1.00 0.00 N ATOM 98 CA ASN A 79 13.196 -8.703 -4.872 1.00 0.00 C ATOM 99 C ASN A 79 13.956 -9.161 -3.630 1.00 0.00 C ATOM 100 O ASN A 79 15.187 -9.136 -3.598 1.00 0.00 O ATOM 101 CB ASN A 79 13.874 -9.251 -6.129 1.00 0.00 C ATOM 102 CG ASN A 79 12.916 -9.364 -7.300 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.858 -8.480 -8.155 1.00 0.00 O ATOM 104 ND2 ASN A 79 12.159 -10.454 -7.342 1.00 0.00 N ATOM 0 H ASN A 79 13.814 -6.816 -5.543 1.00 0.00 H new ATOM 0 HA ASN A 79 12.179 -9.091 -4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.704 -8.600 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.296 -10.232 -5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.495 -10.585 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.241 -11.161 -6.611 1.00 0.00 H new ATOM 111 N VAL A 80 13.214 -9.581 -2.610 1.00 0.00 N ATOM 112 CA VAL A 80 13.817 -10.046 -1.367 1.00 0.00 C ATOM 113 C VAL A 80 14.721 -11.249 -1.612 1.00 0.00 C ATOM 114 O VAL A 80 14.566 -11.965 -2.601 1.00 0.00 O ATOM 115 CB VAL A 80 12.743 -10.428 -0.331 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.832 -11.514 -0.882 1.00 0.00 C ATOM 117 CG2 VAL A 80 13.393 -10.875 0.970 1.00 0.00 C ATOM 0 H VAL A 80 12.194 -9.609 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 80 14.412 -9.221 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 80 12.134 -9.548 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.080 -11.771 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.339 -11.152 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.423 -12.398 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.620 -11.141 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.027 -11.742 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.999 -10.063 1.372 1.00 0.00 H new ATOM 127 N HIS A 81 15.667 -11.466 -0.703 1.00 0.00 N ATOM 128 CA HIS A 81 16.597 -12.583 -0.820 1.00 0.00 C ATOM 129 C HIS A 81 17.555 -12.374 -1.989 1.00 0.00 C ATOM 130 O HIS A 81 18.037 -13.334 -2.589 1.00 0.00 O ATOM 131 CB HIS A 81 15.832 -13.894 -1.001 1.00 0.00 C ATOM 132 CG HIS A 81 14.716 -14.077 -0.019 1.00 0.00 C ATOM 133 ND1 HIS A 81 13.388 -14.118 -0.389 1.00 0.00 N ATOM 134 CD2 HIS A 81 14.735 -14.231 1.325 1.00 0.00 C ATOM 135 CE1 HIS A 81 12.639 -14.288 0.686 1.00 0.00 C ATOM 136 NE2 HIS A 81 13.432 -14.360 1.740 1.00 0.00 N ATOM 0 H HIS A 81 15.809 -10.883 0.122 1.00 0.00 H new ATOM 0 HA HIS A 81 17.180 -12.635 0.099 1.00 0.00 H new ATOM 0 HB2 HIS A 81 15.425 -13.931 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.528 -14.727 -0.907 1.00 0.00 H new ATOM 0 HD2 HIS A 81 15.612 -14.249 1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.561 -14.356 0.701 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.127 -14.490 2.704 1.00 0.00 H new ATOM 144 N ALA A 82 17.825 -11.112 -2.307 1.00 0.00 N ATOM 145 CA ALA A 82 18.726 -10.777 -3.403 1.00 0.00 C ATOM 146 C ALA A 82 20.182 -10.985 -3.001 1.00 0.00 C ATOM 147 O ALA A 82 20.583 -10.643 -1.889 1.00 0.00 O ATOM 148 CB ALA A 82 18.500 -9.341 -3.852 1.00 0.00 C ATOM 0 H ALA A 82 17.433 -10.305 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 82 18.508 -11.445 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.180 -9.105 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.470 -9.223 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.688 -8.665 -3.018 1.00 0.00 H new ATOM 154 N ALA A 83 20.969 -11.548 -3.912 1.00 0.00 N ATOM 155 CA ALA A 83 22.381 -11.800 -3.652 1.00 0.00 C ATOM 156 C ALA A 83 23.077 -10.544 -3.138 1.00 0.00 C ATOM 157 O ALA A 83 22.837 -9.444 -3.635 1.00 0.00 O ATOM 158 CB ALA A 83 23.067 -12.309 -4.910 1.00 0.00 C ATOM 0 H ALA A 83 20.652 -11.838 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 83 22.452 -12.565 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 83 24.121 -12.493 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.594 -13.237 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.979 -11.563 -5.700 1.00 0.00 H new ATOM 164 N GLU A 84 23.939 -10.716 -2.141 1.00 0.00 N ATOM 165 CA GLU A 84 24.668 -9.595 -1.560 1.00 0.00 C ATOM 166 C GLU A 84 25.349 -8.767 -2.646 1.00 0.00 C ATOM 167 O GLU A 84 25.929 -9.313 -3.586 1.00 0.00 O ATOM 168 CB GLU A 84 25.710 -10.099 -0.559 1.00 0.00 C ATOM 169 CG GLU A 84 26.614 -11.185 -1.117 1.00 0.00 C ATOM 170 CD GLU A 84 27.417 -11.886 -0.038 1.00 0.00 C ATOM 171 OE1 GLU A 84 27.878 -11.202 0.899 1.00 0.00 O ATOM 172 OE2 GLU A 84 27.583 -13.121 -0.131 1.00 0.00 O ATOM 0 H GLU A 84 24.149 -11.620 -1.719 1.00 0.00 H new ATOM 0 HA GLU A 84 23.951 -8.960 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.324 -9.259 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.198 -10.482 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 84 26.009 -11.919 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.296 -10.746 -1.845 1.00 0.00 H new ATOM 179 N PHE A 85 25.274 -7.448 -2.511 1.00 0.00 N ATOM 180 CA PHE A 85 25.881 -6.544 -3.481 1.00 0.00 C ATOM 181 C PHE A 85 27.363 -6.859 -3.664 1.00 0.00 C ATOM 182 O PHE A 85 27.937 -6.607 -4.724 1.00 0.00 O ATOM 183 CB PHE A 85 25.709 -5.091 -3.034 1.00 0.00 C ATOM 184 CG PHE A 85 26.828 -4.594 -2.164 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.768 -4.736 -0.787 1.00 0.00 C ATOM 186 CD2 PHE A 85 27.939 -3.984 -2.724 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.796 -4.280 0.016 1.00 0.00 C ATOM 188 CE2 PHE A 85 28.971 -3.527 -1.926 1.00 0.00 C ATOM 189 CZ PHE A 85 28.899 -3.674 -0.554 1.00 0.00 C ATOM 0 H PHE A 85 24.799 -6.981 -1.739 1.00 0.00 H new ATOM 0 HA PHE A 85 25.376 -6.685 -4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.635 -4.455 -3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.768 -4.995 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 85 25.908 -5.209 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 85 27.999 -3.864 -3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.737 -4.397 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.833 -3.055 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.703 -3.316 0.072 1.00 0.00 H new ATOM 537 N GLN B 556 31.654 -1.902 -13.130 1.00 0.00 N ATOM 538 CA GLN B 556 31.796 -3.184 -12.451 1.00 0.00 C ATOM 539 C GLN B 556 32.173 -2.985 -10.987 1.00 0.00 C ATOM 540 O GLN B 556 31.892 -3.836 -10.143 1.00 0.00 O ATOM 541 CB GLN B 556 32.854 -4.041 -13.150 1.00 0.00 C ATOM 542 CG GLN B 556 32.519 -4.358 -14.598 1.00 0.00 C ATOM 543 CD GLN B 556 33.266 -5.570 -15.118 1.00 0.00 C ATOM 544 OE1 GLN B 556 33.688 -6.432 -14.346 1.00 0.00 O ATOM 545 NE2 GLN B 556 33.434 -5.644 -16.433 1.00 0.00 N ATOM 0 HA GLN B 556 30.836 -3.698 -12.494 1.00 0.00 H new ATOM 0 HB2 GLN B 556 33.812 -3.523 -13.112 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.975 -4.975 -12.601 1.00 0.00 H new ATOM 0 HG2 GLN B 556 31.447 -4.530 -14.689 1.00 0.00 H new ATOM 0 HG3 GLN B 556 32.757 -3.495 -15.219 1.00 0.00 H new ATOM 0 HE21 GLN B 556 33.068 -4.907 -17.036 1.00 0.00 H new ATOM 0 HE22 GLN B 556 33.929 -6.437 -16.840 1.00 0.00 H new ATOM 554 N GLU B 557 32.812 -1.857 -10.693 1.00 0.00 N ATOM 555 CA GLU B 557 33.228 -1.548 -9.330 1.00 0.00 C ATOM 556 C GLU B 557 32.290 -0.526 -8.693 1.00 0.00 C ATOM 557 O GLU B 557 32.186 -0.442 -7.470 1.00 0.00 O ATOM 558 CB GLU B 557 34.663 -1.017 -9.319 1.00 0.00 C ATOM 559 CG GLU B 557 35.713 -2.095 -9.527 1.00 0.00 C ATOM 560 CD GLU B 557 35.786 -3.069 -8.367 1.00 0.00 C ATOM 561 OE1 GLU B 557 36.271 -2.671 -7.288 1.00 0.00 O ATOM 562 OE2 GLU B 557 35.359 -4.230 -8.540 1.00 0.00 O ATOM 0 H GLU B 557 33.053 -1.142 -11.380 1.00 0.00 H new ATOM 0 HA GLU B 557 33.185 -2.468 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.769 -0.264 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.850 -0.519 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.490 -2.642 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.687 -1.626 -9.665 1.00 0.00 H new ATOM 569 N GLN B 558 31.612 0.249 -9.533 1.00 0.00 N ATOM 570 CA GLN B 558 30.684 1.267 -9.052 1.00 0.00 C ATOM 571 C GLN B 558 29.690 0.672 -8.060 1.00 0.00 C ATOM 572 O GLN B 558 29.498 1.201 -6.965 1.00 0.00 O ATOM 573 CB GLN B 558 29.935 1.899 -10.226 1.00 0.00 C ATOM 574 CG GLN B 558 30.595 3.159 -10.762 1.00 0.00 C ATOM 575 CD GLN B 558 29.598 4.130 -11.364 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.487 5.275 -10.924 1.00 0.00 O ATOM 577 NE2 GLN B 558 28.867 3.677 -12.375 1.00 0.00 N ATOM 0 H GLN B 558 31.687 0.192 -10.549 1.00 0.00 H new ATOM 0 HA GLN B 558 31.261 2.038 -8.541 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.857 1.169 -11.032 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.919 2.137 -9.912 1.00 0.00 H new ATOM 0 HG2 GLN B 558 31.135 3.653 -9.954 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.331 2.885 -11.518 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.993 2.721 -12.707 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.180 4.285 -12.820 1.00 0.00 H new ATOM 586 N LYS B 559 29.060 -0.430 -8.450 1.00 0.00 N ATOM 587 CA LYS B 559 28.086 -1.099 -7.596 1.00 0.00 C ATOM 588 C LYS B 559 28.668 -1.363 -6.211 1.00 0.00 C ATOM 589 O LYS B 559 28.032 -1.078 -5.197 1.00 0.00 O ATOM 590 CB LYS B 559 27.637 -2.416 -8.232 1.00 0.00 C ATOM 591 CG LYS B 559 28.790 -3.311 -8.654 1.00 0.00 C ATOM 592 CD LYS B 559 28.304 -4.498 -9.469 1.00 0.00 C ATOM 593 CE LYS B 559 29.253 -5.681 -9.350 1.00 0.00 C ATOM 594 NZ LYS B 559 28.555 -6.977 -9.576 1.00 0.00 N ATOM 0 H LYS B 559 29.207 -0.880 -9.354 1.00 0.00 H new ATOM 0 HA LYS B 559 27.223 -0.442 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS B 559 27.009 -2.956 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS B 559 27.020 -2.197 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS B 559 29.504 -2.733 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS B 559 29.318 -3.667 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS B 559 27.311 -4.791 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS B 559 28.211 -4.209 -10.516 1.00 0.00 H new ATOM 0 HE2 LYS B 559 30.061 -5.573 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS B 559 29.710 -5.682 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 29.236 -7.758 -9.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 27.800 -7.093 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 28.141 -6.987 -10.530 1.00 0.00 H new ATOM 608 N GLN B 560 29.880 -1.907 -6.177 1.00 0.00 N ATOM 609 CA GLN B 560 30.546 -2.209 -4.916 1.00 0.00 C ATOM 610 C GLN B 560 30.750 -0.942 -4.092 1.00 0.00 C ATOM 611 O GLN B 560 30.619 -0.958 -2.868 1.00 0.00 O ATOM 612 CB GLN B 560 31.894 -2.885 -5.176 1.00 0.00 C ATOM 613 CG GLN B 560 31.827 -3.997 -6.211 1.00 0.00 C ATOM 614 CD GLN B 560 33.018 -4.932 -6.140 1.00 0.00 C ATOM 615 OE1 GLN B 560 34.213 -4.362 -6.037 1.00 0.00 O flip ATOM 616 NE2 GLN B 560 32.866 -6.153 -6.177 1.00 0.00 N flip ATOM 0 H GLN B 560 30.420 -2.148 -7.008 1.00 0.00 H new ATOM 0 HA GLN B 560 29.909 -2.890 -4.351 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.610 -2.133 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.273 -3.294 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN B 560 30.911 -4.570 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN B 560 31.773 -3.558 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN B 560 31.929 -6.548 -6.257 1.00 0.00 H new ATOM 0 HE22 GLN B 560 33.677 -6.770 -6.128 1.00 0.00 H new ATOM 625 N MET B 561 31.073 0.154 -4.771 1.00 0.00 N ATOM 626 CA MET B 561 31.294 1.430 -4.100 1.00 0.00 C ATOM 627 C MET B 561 30.019 1.914 -3.417 1.00 0.00 C ATOM 628 O MET B 561 29.988 2.101 -2.200 1.00 0.00 O ATOM 629 CB MET B 561 31.778 2.480 -5.103 1.00 0.00 C ATOM 630 CG MET B 561 33.039 2.073 -5.848 1.00 0.00 C ATOM 631 SD MET B 561 34.182 3.447 -6.081 1.00 0.00 S ATOM 632 CE MET B 561 33.510 4.200 -7.560 1.00 0.00 C ATOM 0 H MET B 561 31.187 0.184 -5.784 1.00 0.00 H new ATOM 0 HA MET B 561 32.060 1.283 -3.338 1.00 0.00 H new ATOM 0 HB2 MET B 561 30.985 2.673 -5.826 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.963 3.416 -4.576 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.541 1.277 -5.297 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.766 1.664 -6.821 1.00 0.00 H new ATOM 0 HE1 MET B 561 34.111 5.067 -7.832 1.00 0.00 H new ATOM 0 HE2 MET B 561 33.526 3.477 -8.376 1.00 0.00 H new ATOM 0 HE3 MET B 561 32.483 4.515 -7.374 1.00 0.00 H new ATOM 642 N LEU B 562 28.969 2.114 -4.206 1.00 0.00 N ATOM 643 CA LEU B 562 27.691 2.576 -3.676 1.00 0.00 C ATOM 644 C LEU B 562 27.239 1.705 -2.508 1.00 0.00 C ATOM 645 O LEU B 562 26.887 2.211 -1.443 1.00 0.00 O ATOM 646 CB LEU B 562 26.627 2.567 -4.776 1.00 0.00 C ATOM 647 CG LEU B 562 26.798 3.608 -5.883 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.805 3.359 -7.007 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.631 5.013 -5.323 1.00 0.00 C ATOM 0 H LEU B 562 28.977 1.963 -5.215 1.00 0.00 H new ATOM 0 HA LEU B 562 27.823 3.596 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.614 1.578 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.652 2.716 -4.312 1.00 0.00 H new ATOM 0 HG LEU B 562 27.805 3.517 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.941 4.109 -7.786 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.971 2.367 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.790 3.422 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.756 5.741 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.636 5.116 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.382 5.189 -4.552 1.00 0.00 H new ATOM 661 N GLY B 563 27.253 0.392 -2.716 1.00 0.00 N ATOM 662 CA GLY B 563 26.844 -0.529 -1.671 1.00 0.00 C ATOM 663 C GLY B 563 27.778 -0.503 -0.477 1.00 0.00 C ATOM 664 O GLY B 563 27.348 -0.699 0.659 1.00 0.00 O ATOM 0 H GLY B 563 27.540 -0.050 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.835 -0.278 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.806 -1.540 -2.077 1.00 0.00 H new ATOM 668 N GLU B 564 29.060 -0.262 -0.736 1.00 0.00 N ATOM 669 CA GLU B 564 30.057 -0.214 0.327 1.00 0.00 C ATOM 670 C GLU B 564 29.751 0.912 1.310 1.00 0.00 C ATOM 671 O GLU B 564 29.756 0.709 2.524 1.00 0.00 O ATOM 672 CB GLU B 564 31.456 -0.025 -0.264 1.00 0.00 C ATOM 673 CG GLU B 564 32.210 -1.327 -0.472 1.00 0.00 C ATOM 674 CD GLU B 564 32.880 -1.822 0.795 1.00 0.00 C ATOM 675 OE1 GLU B 564 32.266 -1.704 1.875 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.019 -2.327 0.705 1.00 0.00 O ATOM 0 H GLU B 564 29.432 -0.097 -1.671 1.00 0.00 H new ATOM 0 HA GLU B 564 30.023 -1.161 0.865 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.371 0.492 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.036 0.619 0.396 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.519 -2.088 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU B 564 32.964 -1.186 -1.246 1.00 0.00 H new ATOM 683 N ARG B 565 29.485 2.100 0.775 1.00 0.00 N ATOM 684 CA ARG B 565 29.179 3.259 1.604 1.00 0.00 C ATOM 685 C ARG B 565 27.758 3.175 2.153 1.00 0.00 C ATOM 686 O ARG B 565 27.467 3.686 3.236 1.00 0.00 O ATOM 687 CB ARG B 565 29.350 4.548 0.799 1.00 0.00 C ATOM 688 CG ARG B 565 29.639 5.769 1.657 1.00 0.00 C ATOM 689 CD ARG B 565 31.126 6.086 1.693 1.00 0.00 C ATOM 690 NE ARG B 565 31.519 6.725 2.946 1.00 0.00 N ATOM 691 CZ ARG B 565 31.743 6.058 4.073 1.00 0.00 C ATOM 692 NH1 ARG B 565 31.613 4.739 4.103 1.00 0.00 N ATOM 693 NH2 ARG B 565 32.097 6.711 5.172 1.00 0.00 N ATOM 0 H ARG B 565 29.475 2.284 -0.228 1.00 0.00 H new ATOM 0 HA ARG B 565 29.875 3.267 2.443 1.00 0.00 H new ATOM 0 HB2 ARG B 565 30.163 4.415 0.085 1.00 0.00 H new ATOM 0 HB3 ARG B 565 28.444 4.728 0.220 1.00 0.00 H new ATOM 0 HG2 ARG B 565 29.092 6.627 1.266 1.00 0.00 H new ATOM 0 HG3 ARG B 565 29.278 5.596 2.671 1.00 0.00 H new ATOM 0 HD2 ARG B 565 31.696 5.166 1.561 1.00 0.00 H new ATOM 0 HD3 ARG B 565 31.378 6.740 0.858 1.00 0.00 H new ATOM 0 HE ARG B 565 31.627 7.739 2.956 1.00 0.00 H new ATOM 0 HH11 ARG B 565 31.340 4.234 3.260 1.00 0.00 H new ATOM 0 HH12 ARG B 565 31.786 4.229 4.969 1.00 0.00 H new ATOM 0 HH21 ARG B 565 32.197 7.726 5.152 1.00 0.00 H new ATOM 0 HH22 ARG B 565 32.269 6.198 6.037 1.00 0.00 H new ATOM 707 N LEU B 566 26.876 2.527 1.400 1.00 0.00 N ATOM 708 CA LEU B 566 25.484 2.376 1.811 1.00 0.00 C ATOM 709 C LEU B 566 25.350 1.320 2.903 1.00 0.00 C ATOM 710 O LEU B 566 24.404 1.342 3.690 1.00 0.00 O ATOM 711 CB LEU B 566 24.616 1.996 0.610 1.00 0.00 C ATOM 712 CG LEU B 566 24.337 3.113 -0.396 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.027 2.532 -1.767 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.189 3.990 0.085 1.00 0.00 C ATOM 0 H LEU B 566 27.100 2.098 0.502 1.00 0.00 H new ATOM 0 HA LEU B 566 25.143 3.331 2.211 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.099 1.173 0.084 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.662 1.621 0.981 1.00 0.00 H new ATOM 0 HG LEU B 566 25.231 3.732 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.831 3.342 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.878 1.947 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.149 1.890 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.004 4.780 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.290 3.383 0.198 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.449 4.436 1.045 1.00 0.00 H new ATOM 726 N PHE B 567 26.306 0.397 2.947 1.00 0.00 N ATOM 727 CA PHE B 567 26.296 -0.667 3.944 1.00 0.00 C ATOM 728 C PHE B 567 26.151 -0.093 5.351 1.00 0.00 C ATOM 729 O PHE B 567 25.221 -0.419 6.089 1.00 0.00 O ATOM 730 CB PHE B 567 27.578 -1.496 3.849 1.00 0.00 C ATOM 731 CG PHE B 567 27.964 -2.154 5.143 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.069 -2.973 5.813 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.221 -1.954 5.689 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.421 -3.580 7.004 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.579 -2.558 6.879 1.00 0.00 C ATOM 736 CZ PHE B 567 28.678 -3.371 7.538 1.00 0.00 C ATOM 0 H PHE B 567 27.097 0.365 2.304 1.00 0.00 H new ATOM 0 HA PHE B 567 25.440 -1.311 3.743 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.450 -2.263 3.085 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.394 -0.852 3.520 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.085 -3.139 5.400 1.00 0.00 H new ATOM 0 HD2 PHE B 567 29.930 -1.319 5.179 1.00 0.00 H new ATOM 0 HE1 PHE B 567 26.715 -4.217 7.516 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.563 -2.394 7.293 1.00 0.00 H new ATOM 0 HZ PHE B 567 28.955 -3.843 8.469 1.00 0.00 H new ATOM 746 N PRO B 568 27.093 0.782 5.732 1.00 0.00 N ATOM 747 CA PRO B 568 27.093 1.420 7.052 1.00 0.00 C ATOM 748 C PRO B 568 25.958 2.425 7.210 1.00 0.00 C ATOM 749 O PRO B 568 25.418 2.600 8.303 1.00 0.00 O ATOM 750 CB PRO B 568 28.448 2.131 7.102 1.00 0.00 C ATOM 751 CG PRO B 568 28.801 2.374 5.675 1.00 0.00 C ATOM 752 CD PRO B 568 28.231 1.216 4.904 1.00 0.00 C ATOM 0 HA PRO B 568 26.946 0.697 7.854 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.384 3.066 7.659 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.200 1.516 7.597 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.384 3.318 5.325 1.00 0.00 H new ATOM 0 HG3 PRO B 568 29.882 2.435 5.545 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.911 1.516 3.906 1.00 0.00 H new ATOM 0 HD3 PRO B 568 28.963 0.418 4.777 1.00 0.00 H new ATOM 760 N LEU B 569 25.598 3.082 6.113 1.00 0.00 N ATOM 761 CA LEU B 569 24.525 4.070 6.129 1.00 0.00 C ATOM 762 C LEU B 569 23.224 3.452 6.633 1.00 0.00 C ATOM 763 O LEU B 569 22.633 3.929 7.602 1.00 0.00 O ATOM 764 CB LEU B 569 24.319 4.651 4.730 1.00 0.00 C ATOM 765 CG LEU B 569 25.364 5.666 4.264 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.249 5.901 2.766 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.213 6.975 5.025 1.00 0.00 C ATOM 0 H LEU B 569 26.034 2.948 5.201 1.00 0.00 H new ATOM 0 HA LEU B 569 24.812 4.872 6.809 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.298 3.828 4.016 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.339 5.127 4.697 1.00 0.00 H new ATOM 0 HG LEU B 569 26.354 5.261 4.472 1.00 0.00 H new ATOM 0 HD11 LEU B 569 26.000 6.626 2.453 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.409 4.961 2.237 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.256 6.284 2.533 1.00 0.00 H new ATOM 0 HD21 LEU B 569 25.965 7.685 4.680 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.219 7.385 4.849 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.347 6.794 6.091 1.00 0.00 H new ATOM 779 N ILE B 570 22.785 2.388 5.969 1.00 0.00 N ATOM 780 CA ILE B 570 21.557 1.703 6.351 1.00 0.00 C ATOM 781 C ILE B 570 21.764 0.860 7.605 1.00 0.00 C ATOM 782 O ILE B 570 20.807 0.516 8.298 1.00 0.00 O ATOM 783 CB ILE B 570 21.040 0.798 5.217 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.816 1.617 3.944 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.754 0.102 5.638 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.178 0.874 2.677 1.00 0.00 C ATOM 0 H ILE B 570 23.262 1.982 5.164 1.00 0.00 H new ATOM 0 HA ILE B 570 20.816 2.476 6.554 1.00 0.00 H new ATOM 0 HB ILE B 570 21.791 0.036 5.010 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.769 1.916 3.894 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.407 2.531 4.001 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.402 -0.534 4.826 1.00 0.00 H new ATOM 0 HG22 ILE B 570 19.943 -0.509 6.521 1.00 0.00 H new ATOM 0 HG23 ILE B 570 18.995 0.849 5.869 1.00 0.00 H new ATOM 0 HD11 ILE B 570 20.994 1.515 1.814 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.232 0.598 2.706 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.569 -0.026 2.597 1.00 0.00 H new ATOM 798 N GLN B 571 23.020 0.532 7.889 1.00 0.00 N ATOM 799 CA GLN B 571 23.353 -0.271 9.060 1.00 0.00 C ATOM 800 C GLN B 571 22.861 0.401 10.338 1.00 0.00 C ATOM 801 O GLN B 571 22.648 -0.259 11.355 1.00 0.00 O ATOM 802 CB GLN B 571 24.864 -0.495 9.138 1.00 0.00 C ATOM 803 CG GLN B 571 25.307 -1.230 10.393 1.00 0.00 C ATOM 804 CD GLN B 571 26.814 -1.271 10.545 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.479 -0.234 10.536 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.363 -2.472 10.685 1.00 0.00 N ATOM 0 H GLN B 571 23.823 0.809 7.325 1.00 0.00 H new ATOM 0 HA GLN B 571 22.854 -1.235 8.962 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.184 -1.061 8.263 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.369 0.470 9.095 1.00 0.00 H new ATOM 0 HG2 GLN B 571 24.871 -0.745 11.266 1.00 0.00 H new ATOM 0 HG3 GLN B 571 24.921 -2.249 10.368 1.00 0.00 H new ATOM 0 HE21 GLN B 571 26.774 -3.305 10.687 1.00 0.00 H new ATOM 0 HE22 GLN B 571 28.374 -2.562 10.791 1.00 0.00 H new ATOM 815 N ALA B 572 22.683 1.716 10.278 1.00 0.00 N ATOM 816 CA ALA B 572 22.214 2.477 11.430 1.00 0.00 C ATOM 817 C ALA B 572 20.707 2.329 11.608 1.00 0.00 C ATOM 818 O ALA B 572 20.131 2.856 12.560 1.00 0.00 O ATOM 819 CB ALA B 572 22.589 3.944 11.282 1.00 0.00 C ATOM 0 H ALA B 572 22.856 2.277 9.444 1.00 0.00 H new ATOM 0 HA ALA B 572 22.700 2.078 12.321 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.233 4.500 12.149 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.673 4.037 11.212 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.131 4.347 10.379 1.00 0.00 H new ATOM 825 N MET B 573 20.074 1.611 10.687 1.00 0.00 N ATOM 826 CA MET B 573 18.633 1.395 10.743 1.00 0.00 C ATOM 827 C MET B 573 18.304 -0.093 10.688 1.00 0.00 C ATOM 828 O MET B 573 17.644 -0.627 11.581 1.00 0.00 O ATOM 829 CB MET B 573 17.940 2.125 9.591 1.00 0.00 C ATOM 830 CG MET B 573 18.454 3.539 9.370 1.00 0.00 C ATOM 831 SD MET B 573 17.365 4.518 8.319 1.00 0.00 S ATOM 832 CE MET B 573 18.250 4.453 6.762 1.00 0.00 C ATOM 0 H MET B 573 20.536 1.169 9.893 1.00 0.00 H new ATOM 0 HA MET B 573 18.268 1.796 11.689 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.075 1.551 8.674 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.869 2.163 9.788 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.565 4.036 10.334 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.445 3.495 8.918 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.700 5.015 6.007 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.241 4.889 6.888 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.348 3.416 6.442 1.00 0.00 H new ATOM 842 N HIS B 574 18.767 -0.759 9.635 1.00 0.00 N ATOM 843 CA HIS B 574 18.522 -2.187 9.465 1.00 0.00 C ATOM 844 C HIS B 574 19.829 -2.939 9.234 1.00 0.00 C ATOM 845 O HIS B 574 20.097 -3.446 8.144 1.00 0.00 O ATOM 846 CB HIS B 574 17.568 -2.426 8.294 1.00 0.00 C ATOM 847 CG HIS B 574 16.259 -1.711 8.432 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.279 -1.830 9.357 1.00 0.00 N flip ATOM 849 CD2 HIS B 574 15.834 -0.742 7.547 1.00 0.00 C flip ATOM 850 CE1 HIS B 574 14.290 -0.939 9.019 1.00 0.00 C flip ATOM 851 NE2 HIS B 574 14.650 -0.294 7.924 1.00 0.00 N flip ATOM 0 H HIS B 574 19.314 -0.333 8.887 1.00 0.00 H new ATOM 0 HA HIS B 574 18.064 -2.564 10.380 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.052 -2.106 7.371 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.380 -3.496 8.202 1.00 0.00 H new ATOM 0 HD2 HIS B 574 16.383 -0.403 6.681 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.368 -0.790 9.561 1.00 0.00 H new ATOM 0 HE2 HIS B 574 14.106 0.427 7.450 1.00 0.00 H new ATOM 859 N PRO B 575 20.663 -3.013 10.281 1.00 0.00 N ATOM 860 CA PRO B 575 21.956 -3.701 10.217 1.00 0.00 C ATOM 861 C PRO B 575 21.803 -5.214 10.107 1.00 0.00 C ATOM 862 O PRO B 575 22.762 -5.925 9.805 1.00 0.00 O ATOM 863 CB PRO B 575 22.624 -3.326 11.542 1.00 0.00 C ATOM 864 CG PRO B 575 21.493 -3.026 12.465 1.00 0.00 C ATOM 865 CD PRO B 575 20.408 -2.431 11.610 1.00 0.00 C ATOM 0 HA PRO B 575 22.530 -3.409 9.337 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.238 -4.143 11.921 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.279 -2.463 11.425 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.145 -3.931 12.963 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.800 -2.330 13.246 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.416 -2.692 11.980 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.464 -1.343 11.590 1.00 0.00 H new ATOM 873 N THR B 576 20.591 -5.701 10.353 1.00 0.00 N ATOM 874 CA THR B 576 20.312 -7.130 10.282 1.00 0.00 C ATOM 875 C THR B 576 20.550 -7.667 8.876 1.00 0.00 C ATOM 876 O THR B 576 21.120 -8.744 8.700 1.00 0.00 O ATOM 877 CB THR B 576 18.863 -7.441 10.701 1.00 0.00 C ATOM 878 OG1 THR B 576 18.578 -6.837 11.967 1.00 0.00 O ATOM 879 CG2 THR B 576 18.635 -8.942 10.786 1.00 0.00 C ATOM 0 H THR B 576 19.786 -5.126 10.603 1.00 0.00 H new ATOM 0 HA THR B 576 20.995 -7.621 10.975 1.00 0.00 H new ATOM 0 HB THR B 576 18.194 -7.030 9.945 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.654 -7.038 12.225 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.605 -9.137 11.084 1.00 0.00 H new ATOM 0 HG22 THR B 576 18.823 -9.394 9.812 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.313 -9.372 11.523 1.00 0.00 H new ATOM 887 N LEU B 577 20.109 -6.911 7.876 1.00 0.00 N ATOM 888 CA LEU B 577 20.275 -7.311 6.483 1.00 0.00 C ATOM 889 C LEU B 577 20.668 -6.119 5.617 1.00 0.00 C ATOM 890 O LEU B 577 20.245 -6.008 4.467 1.00 0.00 O ATOM 891 CB LEU B 577 18.983 -7.936 5.955 1.00 0.00 C ATOM 892 CG LEU B 577 18.178 -8.763 6.958 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.198 -7.879 7.714 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.443 -9.892 6.250 1.00 0.00 C ATOM 0 H LEU B 577 19.634 -6.018 8.004 1.00 0.00 H new ATOM 0 HA LEU B 577 21.075 -8.050 6.435 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.344 -7.137 5.578 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.232 -8.573 5.106 1.00 0.00 H new ATOM 0 HG LEU B 577 18.870 -9.201 7.677 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.634 -8.485 8.423 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.746 -7.106 8.253 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.511 -7.412 7.009 1.00 0.00 H new ATOM 0 HD21 LEU B 577 16.875 -10.470 6.979 1.00 0.00 H new ATOM 0 HD22 LEU B 577 16.762 -9.474 5.509 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.165 -10.541 5.754 1.00 0.00 H new ATOM 906 N ALA B 578 21.483 -5.230 6.177 1.00 0.00 N ATOM 907 CA ALA B 578 21.937 -4.048 5.455 1.00 0.00 C ATOM 908 C ALA B 578 22.462 -4.419 4.072 1.00 0.00 C ATOM 909 O ALA B 578 22.030 -3.862 3.063 1.00 0.00 O ATOM 910 CB ALA B 578 23.010 -3.323 6.252 1.00 0.00 C ATOM 0 H ALA B 578 21.842 -5.307 7.129 1.00 0.00 H new ATOM 0 HA ALA B 578 21.084 -3.381 5.325 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.340 -2.442 5.701 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.603 -3.017 7.216 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.857 -3.990 6.412 1.00 0.00 H new ATOM 916 N GLY B 579 23.397 -5.363 4.032 1.00 0.00 N ATOM 917 CA GLY B 579 23.967 -5.790 2.767 1.00 0.00 C ATOM 918 C GLY B 579 22.911 -6.259 1.785 1.00 0.00 C ATOM 919 O GLY B 579 22.950 -5.907 0.606 1.00 0.00 O ATOM 0 H GLY B 579 23.770 -5.840 4.853 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.527 -4.965 2.327 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.677 -6.598 2.946 1.00 0.00 H new ATOM 923 N LYS B 580 21.966 -7.056 2.271 1.00 0.00 N ATOM 924 CA LYS B 580 20.894 -7.574 1.429 1.00 0.00 C ATOM 925 C LYS B 580 20.113 -6.436 0.780 1.00 0.00 C ATOM 926 O LYS B 580 20.064 -6.324 -0.445 1.00 0.00 O ATOM 927 CB LYS B 580 19.949 -8.451 2.253 1.00 0.00 C ATOM 928 CG LYS B 580 20.643 -9.613 2.942 1.00 0.00 C ATOM 929 CD LYS B 580 20.899 -10.760 1.979 1.00 0.00 C ATOM 930 CE LYS B 580 22.305 -10.698 1.400 1.00 0.00 C ATOM 931 NZ LYS B 580 23.266 -11.518 2.189 1.00 0.00 N ATOM 0 H LYS B 580 21.920 -7.358 3.244 1.00 0.00 H new ATOM 0 HA LYS B 580 21.344 -8.177 0.641 1.00 0.00 H new ATOM 0 HB2 LYS B 580 19.458 -7.834 3.006 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.167 -8.841 1.601 1.00 0.00 H new ATOM 0 HG2 LYS B 580 21.589 -9.274 3.365 1.00 0.00 H new ATOM 0 HG3 LYS B 580 20.030 -9.964 3.772 1.00 0.00 H new ATOM 0 HD2 LYS B 580 20.759 -11.709 2.496 1.00 0.00 H new ATOM 0 HD3 LYS B 580 20.169 -10.727 1.170 1.00 0.00 H new ATOM 0 HE2 LYS B 580 22.289 -11.050 0.368 1.00 0.00 H new ATOM 0 HE3 LYS B 580 22.644 -9.662 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 24.204 -11.069 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 22.936 -11.588 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 23.330 -12.471 1.777 1.00 0.00 H new ATOM 945 N ILE B 581 19.504 -5.595 1.609 1.00 0.00 N ATOM 946 CA ILE B 581 18.728 -4.464 1.115 1.00 0.00 C ATOM 947 C ILE B 581 19.602 -3.506 0.313 1.00 0.00 C ATOM 948 O ILE B 581 19.112 -2.772 -0.547 1.00 0.00 O ATOM 949 CB ILE B 581 18.063 -3.691 2.269 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.116 -3.234 3.279 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.010 -4.555 2.947 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.532 -2.796 4.604 1.00 0.00 C ATOM 0 H ILE B 581 19.533 -5.675 2.625 1.00 0.00 H new ATOM 0 HA ILE B 581 17.952 -4.872 0.467 1.00 0.00 H new ATOM 0 HB ILE B 581 17.572 -2.808 1.860 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.819 -4.049 3.453 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.684 -2.408 2.851 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.549 -3.995 3.761 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.247 -4.835 2.221 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.479 -5.454 3.346 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.336 -2.485 5.271 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.851 -1.960 4.443 1.00 0.00 H new ATOM 0 HD13 ILE B 581 17.988 -3.626 5.054 1.00 0.00 H new ATOM 964 N THR B 582 20.900 -3.518 0.598 1.00 0.00 N ATOM 965 CA THR B 582 21.843 -2.651 -0.097 1.00 0.00 C ATOM 966 C THR B 582 22.005 -3.069 -1.554 1.00 0.00 C ATOM 967 O THR B 582 22.019 -2.230 -2.453 1.00 0.00 O ATOM 968 CB THR B 582 23.224 -2.662 0.585 1.00 0.00 C ATOM 969 OG1 THR B 582 23.169 -1.934 1.817 1.00 0.00 O ATOM 970 CG2 THR B 582 24.282 -2.053 -0.323 1.00 0.00 C ATOM 0 H THR B 582 21.322 -4.119 1.306 1.00 0.00 H new ATOM 0 HA THR B 582 21.433 -1.642 -0.055 1.00 0.00 H new ATOM 0 HB THR B 582 23.495 -3.698 0.788 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.926 -2.542 2.546 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.248 -2.072 0.181 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.343 -2.628 -1.247 1.00 0.00 H new ATOM 0 HG23 THR B 582 24.014 -1.022 -0.554 1.00 0.00 H new ATOM 978 N GLY B 583 22.126 -4.374 -1.780 1.00 0.00 N ATOM 979 CA GLY B 583 22.284 -4.881 -3.130 1.00 0.00 C ATOM 980 C GLY B 583 21.117 -4.518 -4.026 1.00 0.00 C ATOM 981 O GLY B 583 21.308 -4.113 -5.173 1.00 0.00 O ATOM 0 H GLY B 583 22.117 -5.088 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.204 -4.484 -3.558 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.389 -5.965 -3.097 1.00 0.00 H new ATOM 985 N MET B 584 19.904 -4.665 -3.504 1.00 0.00 N ATOM 986 CA MET B 584 18.700 -4.350 -4.265 1.00 0.00 C ATOM 987 C MET B 584 18.564 -2.844 -4.467 1.00 0.00 C ATOM 988 O MET B 584 18.300 -2.378 -5.577 1.00 0.00 O ATOM 989 CB MET B 584 17.462 -4.895 -3.551 1.00 0.00 C ATOM 990 CG MET B 584 17.565 -6.369 -3.195 1.00 0.00 C ATOM 991 SD MET B 584 17.160 -6.697 -1.469 1.00 0.00 S ATOM 992 CE MET B 584 15.370 -6.635 -1.524 1.00 0.00 C ATOM 0 H MET B 584 19.728 -5.000 -2.557 1.00 0.00 H new ATOM 0 HA MET B 584 18.784 -4.824 -5.243 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.296 -4.320 -2.640 1.00 0.00 H new ATOM 0 HB3 MET B 584 16.590 -4.743 -4.187 1.00 0.00 H new ATOM 0 HG2 MET B 584 16.895 -6.941 -3.836 1.00 0.00 H new ATOM 0 HG3 MET B 584 18.577 -6.718 -3.399 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.959 -7.337 -0.798 1.00 0.00 H new ATOM 0 HE2 MET B 584 15.033 -5.626 -1.285 1.00 0.00 H new ATOM 0 HE3 MET B 584 15.027 -6.904 -2.523 1.00 0.00 H new ATOM 1002 N LEU B 585 18.744 -2.089 -3.390 1.00 0.00 N ATOM 1003 CA LEU B 585 18.640 -0.635 -3.449 1.00 0.00 C ATOM 1004 C LEU B 585 19.586 -0.064 -4.501 1.00 0.00 C ATOM 1005 O LEU B 585 19.158 0.626 -5.428 1.00 0.00 O ATOM 1006 CB LEU B 585 18.952 -0.025 -2.081 1.00 0.00 C ATOM 1007 CG LEU B 585 17.744 0.361 -1.227 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.857 1.346 -1.971 1.00 0.00 C ATOM 1009 CD2 LEU B 585 16.954 -0.878 -0.830 1.00 0.00 C ATOM 0 H LEU B 585 18.963 -2.459 -2.465 1.00 0.00 H new ATOM 0 HA LEU B 585 17.618 -0.380 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.557 -0.736 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.563 0.865 -2.233 1.00 0.00 H new ATOM 0 HG LEU B 585 18.105 0.844 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU B 585 16.003 1.609 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.427 2.245 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.504 0.891 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.098 -0.584 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.604 -1.389 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.593 -1.549 -0.256 1.00 0.00 H new ATOM 1021 N LEU B 586 20.873 -0.357 -4.353 1.00 0.00 N ATOM 1022 CA LEU B 586 21.880 0.125 -5.292 1.00 0.00 C ATOM 1023 C LEU B 586 21.637 -0.438 -6.688 1.00 0.00 C ATOM 1024 O LEU B 586 22.070 0.141 -7.684 1.00 0.00 O ATOM 1025 CB LEU B 586 23.280 -0.261 -4.811 1.00 0.00 C ATOM 1026 CG LEU B 586 23.608 -1.754 -4.827 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.139 -2.169 -6.190 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.613 -2.092 -3.735 1.00 0.00 C ATOM 0 H LEU B 586 21.244 -0.926 -3.592 1.00 0.00 H new ATOM 0 HA LEU B 586 21.805 1.211 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.011 0.258 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.407 0.107 -3.793 1.00 0.00 H new ATOM 0 HG LEU B 586 22.691 -2.310 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU B 586 24.367 -3.235 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU B 586 23.386 -1.964 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.045 -1.606 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU B 586 24.834 -3.159 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.531 -1.527 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.195 -1.833 -2.763 1.00 0.00 H new ATOM 1040 N GLU B 587 20.940 -1.568 -6.752 1.00 0.00 N ATOM 1041 CA GLU B 587 20.638 -2.207 -8.027 1.00 0.00 C ATOM 1042 C GLU B 587 19.525 -1.463 -8.759 1.00 0.00 C ATOM 1043 O GLU B 587 19.361 -1.606 -9.971 1.00 0.00 O ATOM 1044 CB GLU B 587 20.232 -3.666 -7.808 1.00 0.00 C ATOM 1045 CG GLU B 587 19.702 -4.345 -9.060 1.00 0.00 C ATOM 1046 CD GLU B 587 20.029 -5.825 -9.104 1.00 0.00 C ATOM 1047 OE1 GLU B 587 21.229 -6.170 -9.066 1.00 0.00 O ATOM 1048 OE2 GLU B 587 19.084 -6.639 -9.175 1.00 0.00 O ATOM 0 H GLU B 587 20.574 -2.059 -5.936 1.00 0.00 H new ATOM 0 HA GLU B 587 21.538 -2.176 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.094 -4.223 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.469 -3.709 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU B 587 18.621 -4.214 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU B 587 20.123 -3.857 -9.939 1.00 0.00 H new ATOM 1055 N ILE B 588 18.763 -0.668 -8.015 1.00 0.00 N ATOM 1056 CA ILE B 588 17.667 0.099 -8.592 1.00 0.00 C ATOM 1057 C ILE B 588 18.128 0.879 -9.819 1.00 0.00 C ATOM 1058 O ILE B 588 17.643 0.655 -10.928 1.00 0.00 O ATOM 1059 CB ILE B 588 17.066 1.081 -7.569 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.459 0.316 -6.391 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.018 1.962 -8.232 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.065 1.205 -5.232 1.00 0.00 C ATOM 0 H ILE B 588 18.885 -0.539 -7.011 1.00 0.00 H new ATOM 0 HA ILE B 588 16.901 -0.619 -8.887 1.00 0.00 H new ATOM 0 HB ILE B 588 17.863 1.721 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.580 -0.228 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.177 -0.426 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.603 2.650 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.479 2.530 -9.040 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.221 1.338 -8.635 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.642 0.596 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.945 1.730 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.323 1.931 -5.566 1.00 0.00 H new ATOM 1074 N ASP B 589 19.068 1.794 -9.612 1.00 0.00 N ATOM 1075 CA ASP B 589 19.598 2.606 -10.701 1.00 0.00 C ATOM 1076 C ASP B 589 20.594 3.636 -10.177 1.00 0.00 C ATOM 1077 O ASP B 589 20.293 4.389 -9.252 1.00 0.00 O ATOM 1078 CB ASP B 589 18.459 3.310 -11.441 1.00 0.00 C ATOM 1079 CG ASP B 589 18.477 3.030 -12.931 1.00 0.00 C ATOM 1080 OD1 ASP B 589 18.701 1.862 -13.313 1.00 0.00 O ATOM 1081 OD2 ASP B 589 18.265 3.978 -13.715 1.00 0.00 O ATOM 0 H ASP B 589 19.479 1.992 -8.700 1.00 0.00 H new ATOM 0 HA ASP B 589 20.118 1.945 -11.394 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.505 2.987 -11.025 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.531 4.385 -11.275 1.00 0.00 H new ATOM 1086 N ASN B 590 21.781 3.660 -10.773 1.00 0.00 N ATOM 1087 CA ASN B 590 22.822 4.597 -10.365 1.00 0.00 C ATOM 1088 C ASN B 590 22.397 6.036 -10.639 1.00 0.00 C ATOM 1089 O ASN B 590 22.798 6.958 -9.929 1.00 0.00 O ATOM 1090 CB ASN B 590 24.129 4.290 -11.099 1.00 0.00 C ATOM 1091 CG ASN B 590 24.722 2.955 -10.693 1.00 0.00 C ATOM 1092 OD1 ASN B 590 23.997 2.019 -10.355 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.046 2.862 -10.723 1.00 0.00 N ATOM 0 H ASN B 590 22.046 3.042 -11.540 1.00 0.00 H new ATOM 0 HA ASN B 590 22.980 4.482 -9.293 1.00 0.00 H new ATOM 0 HB2 ASN B 590 23.948 4.292 -12.174 1.00 0.00 H new ATOM 0 HB3 ASN B 590 24.851 5.081 -10.896 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.502 1.989 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.607 3.664 -11.010 1.00 0.00 H new ATOM 1100 N SER B 591 21.582 6.220 -11.673 1.00 0.00 N ATOM 1101 CA SER B 591 21.105 7.547 -12.043 1.00 0.00 C ATOM 1102 C SER B 591 20.300 8.171 -10.907 1.00 0.00 C ATOM 1103 O SER B 591 20.534 9.316 -10.523 1.00 0.00 O ATOM 1104 CB SER B 591 20.249 7.470 -13.308 1.00 0.00 C ATOM 1105 OG SER B 591 19.885 8.764 -13.758 1.00 0.00 O ATOM 0 H SER B 591 21.239 5.467 -12.269 1.00 0.00 H new ATOM 0 HA SER B 591 21.973 8.177 -12.238 1.00 0.00 H new ATOM 0 HB2 SER B 591 20.800 6.951 -14.092 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.351 6.885 -13.108 1.00 0.00 H new ATOM 0 HG SER B 591 19.340 8.687 -14.569 1.00 0.00 H new ATOM 1111 N GLU B 592 19.349 7.409 -10.376 1.00 0.00 N ATOM 1112 CA GLU B 592 18.508 7.887 -9.285 1.00 0.00 C ATOM 1113 C GLU B 592 19.290 7.934 -7.975 1.00 0.00 C ATOM 1114 O GLU B 592 19.213 8.909 -7.227 1.00 0.00 O ATOM 1115 CB GLU B 592 17.280 6.988 -9.126 1.00 0.00 C ATOM 1116 CG GLU B 592 16.418 6.910 -10.375 1.00 0.00 C ATOM 1117 CD GLU B 592 15.999 8.277 -10.881 1.00 0.00 C ATOM 1118 OE1 GLU B 592 15.603 9.121 -10.051 1.00 0.00 O ATOM 1119 OE2 GLU B 592 16.068 8.501 -12.108 1.00 0.00 O ATOM 0 H GLU B 592 19.142 6.459 -10.683 1.00 0.00 H new ATOM 0 HA GLU B 592 18.181 8.898 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.608 5.984 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.674 7.358 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU B 592 16.967 6.389 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU B 592 15.528 6.317 -10.162 1.00 0.00 H new ATOM 1126 N LEU B 593 20.042 6.873 -7.704 1.00 0.00 N ATOM 1127 CA LEU B 593 20.839 6.791 -6.485 1.00 0.00 C ATOM 1128 C LEU B 593 21.725 8.023 -6.330 1.00 0.00 C ATOM 1129 O LEU B 593 21.823 8.598 -5.245 1.00 0.00 O ATOM 1130 CB LEU B 593 21.701 5.527 -6.498 1.00 0.00 C ATOM 1131 CG LEU B 593 20.946 4.199 -6.424 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.763 3.084 -7.058 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.605 3.860 -4.981 1.00 0.00 C ATOM 0 H LEU B 593 20.117 6.057 -8.312 1.00 0.00 H new ATOM 0 HA LEU B 593 20.156 6.748 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.302 5.530 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.394 5.575 -5.658 1.00 0.00 H new ATOM 0 HG LEU B 593 20.015 4.300 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.210 2.147 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU B 593 21.955 3.323 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.711 2.981 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.068 2.912 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.523 3.778 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU B 593 19.979 4.647 -4.561 1.00 0.00 H new ATOM 1145 N LEU B 594 22.368 8.423 -7.421 1.00 0.00 N ATOM 1146 CA LEU B 594 23.245 9.589 -7.407 1.00 0.00 C ATOM 1147 C LEU B 594 22.552 10.785 -6.763 1.00 0.00 C ATOM 1148 O LEU B 594 23.183 11.583 -6.070 1.00 0.00 O ATOM 1149 CB LEU B 594 23.679 9.942 -8.831 1.00 0.00 C ATOM 1150 CG LEU B 594 25.074 10.549 -8.977 1.00 0.00 C ATOM 1151 CD1 LEU B 594 26.029 9.547 -9.606 1.00 0.00 C ATOM 1152 CD2 LEU B 594 25.017 11.826 -9.804 1.00 0.00 C ATOM 0 H LEU B 594 22.299 7.958 -8.326 1.00 0.00 H new ATOM 0 HA LEU B 594 24.127 9.342 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.633 9.038 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU B 594 22.955 10.642 -9.247 1.00 0.00 H new ATOM 0 HG LEU B 594 25.446 10.800 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU B 594 27.017 9.997 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU B 594 26.094 8.661 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.662 9.264 -10.593 1.00 0.00 H new ATOM 0 HD21 LEU B 594 26.019 12.244 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU B 594 24.624 11.600 -10.795 1.00 0.00 H new ATOM 0 HD23 LEU B 594 24.367 12.549 -9.312 1.00 0.00 H new ATOM 1164 N HIS B 595 21.248 10.902 -6.995 1.00 0.00 N ATOM 1165 CA HIS B 595 20.467 11.999 -6.434 1.00 0.00 C ATOM 1166 C HIS B 595 19.932 11.635 -5.053 1.00 0.00 C ATOM 1167 O HIS B 595 19.693 12.508 -4.219 1.00 0.00 O ATOM 1168 CB HIS B 595 19.309 12.357 -7.366 1.00 0.00 C ATOM 1169 CG HIS B 595 18.932 13.806 -7.325 1.00 0.00 C ATOM 1170 ND1 HIS B 595 19.147 14.608 -6.225 1.00 0.00 N ATOM 1171 CD2 HIS B 595 18.353 14.596 -8.259 1.00 0.00 C ATOM 1172 CE1 HIS B 595 18.715 15.830 -6.482 1.00 0.00 C ATOM 1173 NE2 HIS B 595 18.229 15.849 -7.710 1.00 0.00 N ATOM 0 H HIS B 595 20.710 10.251 -7.567 1.00 0.00 H new ATOM 0 HA HIS B 595 21.122 12.864 -6.333 1.00 0.00 H new ATOM 0 HB2 HIS B 595 19.580 12.089 -8.387 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.440 11.756 -7.099 1.00 0.00 H new ATOM 0 HD1 HIS B 595 19.573 14.305 -5.349 1.00 0.00 H new ATOM 0 HD2 HIS B 595 18.046 14.297 -9.250 1.00 0.00 H new ATOM 0 HE1 HIS B 595 18.753 16.670 -5.804 1.00 0.00 H new ATOM 1181 N MET B 596 19.744 10.340 -4.819 1.00 0.00 N ATOM 1182 CA MET B 596 19.237 9.861 -3.539 1.00 0.00 C ATOM 1183 C MET B 596 20.262 10.083 -2.431 1.00 0.00 C ATOM 1184 O MET B 596 19.908 10.183 -1.255 1.00 0.00 O ATOM 1185 CB MET B 596 18.880 8.376 -3.630 1.00 0.00 C ATOM 1186 CG MET B 596 17.676 8.094 -4.515 1.00 0.00 C ATOM 1187 SD MET B 596 17.490 6.342 -4.895 1.00 0.00 S ATOM 1188 CE MET B 596 17.732 5.616 -3.276 1.00 0.00 C ATOM 0 H MET B 596 19.935 9.604 -5.499 1.00 0.00 H new ATOM 0 HA MET B 596 18.338 10.428 -3.297 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.740 7.827 -4.014 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.681 7.996 -2.628 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.774 8.452 -4.019 1.00 0.00 H new ATOM 0 HG3 MET B 596 17.773 8.655 -5.444 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.440 4.566 -3.301 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.783 5.694 -2.996 1.00 0.00 H new ATOM 0 HE3 MET B 596 17.121 6.146 -2.545 1.00 0.00 H new ATOM 1198 N LEU B 597 21.532 10.158 -2.812 1.00 0.00 N ATOM 1199 CA LEU B 597 22.609 10.367 -1.851 1.00 0.00 C ATOM 1200 C LEU B 597 22.284 11.526 -0.914 1.00 0.00 C ATOM 1201 O LEU B 597 22.364 11.390 0.307 1.00 0.00 O ATOM 1202 CB LEU B 597 23.925 10.639 -2.581 1.00 0.00 C ATOM 1203 CG LEU B 597 24.263 9.690 -3.731 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.676 9.944 -4.234 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.104 8.242 -3.292 1.00 0.00 C ATOM 0 H LEU B 597 21.842 10.077 -3.781 1.00 0.00 H new ATOM 0 HA LEU B 597 22.713 9.460 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.897 11.656 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.736 10.599 -1.854 1.00 0.00 H new ATOM 0 HG LEU B 597 23.568 9.879 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU B 597 25.899 9.260 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.757 10.972 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.386 9.783 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.349 7.581 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.775 8.039 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.074 8.067 -2.980 1.00 0.00 H new ATOM 1217 N GLU B 598 21.916 12.664 -1.494 1.00 0.00 N ATOM 1218 CA GLU B 598 21.578 13.846 -0.709 1.00 0.00 C ATOM 1219 C GLU B 598 20.065 14.005 -0.589 1.00 0.00 C ATOM 1220 O GLU B 598 19.563 15.105 -0.357 1.00 0.00 O ATOM 1221 CB GLU B 598 22.185 15.098 -1.346 1.00 0.00 C ATOM 1222 CG GLU B 598 21.466 15.550 -2.606 1.00 0.00 C ATOM 1223 CD GLU B 598 22.342 16.402 -3.504 1.00 0.00 C ATOM 1224 OE1 GLU B 598 22.706 17.522 -3.087 1.00 0.00 O ATOM 1225 OE2 GLU B 598 22.663 15.950 -4.623 1.00 0.00 O ATOM 0 H GLU B 598 21.844 12.793 -2.503 1.00 0.00 H new ATOM 0 HA GLU B 598 21.993 13.718 0.291 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.170 15.909 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.231 14.903 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.127 14.675 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.577 16.116 -2.329 1.00 0.00 H new ATOM 1232 N SER B 599 19.346 12.900 -0.750 1.00 0.00 N ATOM 1233 CA SER B 599 17.890 12.916 -0.664 1.00 0.00 C ATOM 1234 C SER B 599 17.404 12.052 0.495 1.00 0.00 C ATOM 1235 O SER B 599 16.994 10.905 0.319 1.00 0.00 O ATOM 1236 CB SER B 599 17.275 12.422 -1.975 1.00 0.00 C ATOM 1237 OG SER B 599 15.981 12.967 -2.169 1.00 0.00 O ATOM 0 H SER B 599 19.747 11.982 -0.941 1.00 0.00 H new ATOM 0 HA SER B 599 17.573 13.944 -0.486 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.919 12.700 -2.810 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.217 11.334 -1.966 1.00 0.00 H new ATOM 0 HG SER B 599 15.610 12.637 -3.014 1.00 0.00 H new ATOM 1243 N PRO B 600 17.451 12.615 1.712 1.00 0.00 N ATOM 1244 CA PRO B 600 17.020 11.915 2.925 1.00 0.00 C ATOM 1245 C PRO B 600 15.509 11.711 2.971 1.00 0.00 C ATOM 1246 O PRO B 600 14.995 11.011 3.842 1.00 0.00 O ATOM 1247 CB PRO B 600 17.467 12.850 4.052 1.00 0.00 C ATOM 1248 CG PRO B 600 17.518 14.201 3.426 1.00 0.00 C ATOM 1249 CD PRO B 600 17.929 13.979 1.996 1.00 0.00 C ATOM 0 HA PRO B 600 17.444 10.913 2.990 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.767 12.827 4.887 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.441 12.559 4.445 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.547 14.694 3.481 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.231 14.844 3.942 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.474 14.711 1.329 1.00 0.00 H new ATOM 0 HD3 PRO B 600 19.009 14.061 1.871 1.00 0.00 H new ATOM 1257 N GLU B 601 14.805 12.326 2.026 1.00 0.00 N ATOM 1258 CA GLU B 601 13.353 12.211 1.960 1.00 0.00 C ATOM 1259 C GLU B 601 12.940 10.998 1.130 1.00 0.00 C ATOM 1260 O GLU B 601 11.847 10.459 1.301 1.00 0.00 O ATOM 1261 CB GLU B 601 12.745 13.482 1.363 1.00 0.00 C ATOM 1262 CG GLU B 601 13.256 13.804 -0.031 1.00 0.00 C ATOM 1263 CD GLU B 601 12.446 14.890 -0.712 1.00 0.00 C ATOM 1264 OE1 GLU B 601 12.648 16.077 -0.379 1.00 0.00 O ATOM 1265 OE2 GLU B 601 11.611 14.554 -1.578 1.00 0.00 O ATOM 0 H GLU B 601 15.216 12.908 1.296 1.00 0.00 H new ATOM 0 HA GLU B 601 12.978 12.080 2.975 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.661 13.374 1.328 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.960 14.322 2.023 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.298 14.118 0.031 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.231 12.901 -0.641 1.00 0.00 H new ATOM 1272 N SER B 602 13.824 10.576 0.231 1.00 0.00 N ATOM 1273 CA SER B 602 13.551 9.430 -0.629 1.00 0.00 C ATOM 1274 C SER B 602 14.260 8.182 -0.112 1.00 0.00 C ATOM 1275 O SER B 602 13.730 7.074 -0.195 1.00 0.00 O ATOM 1276 CB SER B 602 13.993 9.726 -2.063 1.00 0.00 C ATOM 1277 OG SER B 602 13.018 10.489 -2.751 1.00 0.00 O ATOM 0 H SER B 602 14.734 11.010 0.079 1.00 0.00 H new ATOM 0 HA SER B 602 12.477 9.246 -0.619 1.00 0.00 H new ATOM 0 HB2 SER B 602 14.940 10.266 -2.051 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.167 8.790 -2.593 1.00 0.00 H new ATOM 0 HG SER B 602 13.326 10.666 -3.664 1.00 0.00 H new ATOM 1283 N LEU B 603 15.462 8.371 0.420 1.00 0.00 N ATOM 1284 CA LEU B 603 16.246 7.261 0.951 1.00 0.00 C ATOM 1285 C LEU B 603 15.415 6.417 1.912 1.00 0.00 C ATOM 1286 O LEU B 603 15.185 5.232 1.674 1.00 0.00 O ATOM 1287 CB LEU B 603 17.494 7.787 1.664 1.00 0.00 C ATOM 1288 CG LEU B 603 18.365 6.737 2.354 1.00 0.00 C ATOM 1289 CD1 LEU B 603 18.945 5.770 1.333 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.477 7.406 3.149 1.00 0.00 C ATOM 0 H LEU B 603 15.915 9.282 0.495 1.00 0.00 H new ATOM 0 HA LEU B 603 16.551 6.632 0.115 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.108 8.318 0.936 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.181 8.518 2.410 1.00 0.00 H new ATOM 0 HG LEU B 603 17.740 6.172 3.045 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.562 5.030 1.842 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.134 5.266 0.807 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.555 6.320 0.617 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.087 6.644 3.634 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.100 7.997 2.477 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.041 8.058 3.906 1.00 0.00 H new ATOM 1302 N ARG B 604 14.965 7.038 2.998 1.00 0.00 N ATOM 1303 CA ARG B 604 14.158 6.344 3.995 1.00 0.00 C ATOM 1304 C ARG B 604 12.977 5.634 3.340 1.00 0.00 C ATOM 1305 O ARG B 604 12.556 4.567 3.786 1.00 0.00 O ATOM 1306 CB ARG B 604 13.653 7.331 5.049 1.00 0.00 C ATOM 1307 CG ARG B 604 12.510 8.208 4.565 1.00 0.00 C ATOM 1308 CD ARG B 604 11.159 7.584 4.877 1.00 0.00 C ATOM 1309 NE ARG B 604 10.375 8.408 5.793 1.00 0.00 N ATOM 1310 CZ ARG B 604 9.123 8.131 6.143 1.00 0.00 C ATOM 1311 NH1 ARG B 604 8.517 7.057 5.655 1.00 0.00 N ATOM 1312 NH2 ARG B 604 8.476 8.929 6.982 1.00 0.00 N ATOM 0 H ARG B 604 15.145 8.019 3.210 1.00 0.00 H new ATOM 0 HA ARG B 604 14.786 5.596 4.479 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.326 6.775 5.928 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.480 7.968 5.364 1.00 0.00 H new ATOM 0 HG2 ARG B 604 12.577 9.188 5.037 1.00 0.00 H new ATOM 0 HG3 ARG B 604 12.600 8.365 3.490 1.00 0.00 H new ATOM 0 HD2 ARG B 604 10.603 7.442 3.951 1.00 0.00 H new ATOM 0 HD3 ARG B 604 11.308 6.597 5.314 1.00 0.00 H new ATOM 0 HE ARG B 604 10.812 9.242 6.186 1.00 0.00 H new ATOM 0 HH11 ARG B 604 9.012 6.441 5.010 1.00 0.00 H new ATOM 0 HH12 ARG B 604 7.556 6.847 5.925 1.00 0.00 H new ATOM 0 HH21 ARG B 604 8.939 9.756 7.359 1.00 0.00 H new ATOM 0 HH22 ARG B 604 7.515 8.716 7.250 1.00 0.00 H new ATOM 1326 N SER B 605 12.446 6.235 2.279 1.00 0.00 N ATOM 1327 CA SER B 605 11.311 5.662 1.565 1.00 0.00 C ATOM 1328 C SER B 605 11.670 4.302 0.975 1.00 0.00 C ATOM 1329 O SER B 605 11.057 3.287 1.307 1.00 0.00 O ATOM 1330 CB SER B 605 10.852 6.608 0.453 1.00 0.00 C ATOM 1331 OG SER B 605 10.938 7.961 0.866 1.00 0.00 O ATOM 0 H SER B 605 12.784 7.118 1.896 1.00 0.00 H new ATOM 0 HA SER B 605 10.497 5.526 2.277 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.466 6.456 -0.435 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.825 6.374 0.174 1.00 0.00 H new ATOM 0 HG SER B 605 10.495 8.534 0.205 1.00 0.00 H new ATOM 1337 N LYS B 606 12.668 4.289 0.099 1.00 0.00 N ATOM 1338 CA LYS B 606 13.112 3.054 -0.538 1.00 0.00 C ATOM 1339 C LYS B 606 13.436 1.990 0.505 1.00 0.00 C ATOM 1340 O LYS B 606 13.034 0.834 0.374 1.00 0.00 O ATOM 1341 CB LYS B 606 14.340 3.319 -1.411 1.00 0.00 C ATOM 1342 CG LYS B 606 14.177 4.504 -2.347 1.00 0.00 C ATOM 1343 CD LYS B 606 12.931 4.368 -3.207 1.00 0.00 C ATOM 1344 CE LYS B 606 13.024 5.223 -4.461 1.00 0.00 C ATOM 1345 NZ LYS B 606 13.137 6.672 -4.139 1.00 0.00 N ATOM 0 H LYS B 606 13.186 5.120 -0.187 1.00 0.00 H new ATOM 0 HA LYS B 606 12.300 2.686 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.203 3.491 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS B 606 14.555 2.428 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS B 606 14.120 5.424 -1.765 1.00 0.00 H new ATOM 0 HG3 LYS B 606 15.055 4.586 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS B 606 12.793 3.324 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS B 606 12.055 4.662 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS B 606 13.889 4.913 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS B 606 12.142 5.057 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 13.147 7.224 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 12.325 6.963 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 14.018 6.843 -3.614 1.00 0.00 H new ATOM 1359 N VAL B 607 14.165 2.388 1.543 1.00 0.00 N ATOM 1360 CA VAL B 607 14.541 1.469 2.611 1.00 0.00 C ATOM 1361 C VAL B 607 13.315 0.785 3.205 1.00 0.00 C ATOM 1362 O VAL B 607 13.254 -0.442 3.284 1.00 0.00 O ATOM 1363 CB VAL B 607 15.304 2.196 3.734 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.660 1.228 4.852 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.553 2.867 3.182 1.00 0.00 C ATOM 0 H VAL B 607 14.507 3.341 1.667 1.00 0.00 H new ATOM 0 HA VAL B 607 15.193 0.717 2.166 1.00 0.00 H new ATOM 0 HB VAL B 607 14.656 2.969 4.147 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.199 1.760 5.636 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.748 0.799 5.266 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.289 0.431 4.456 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.080 3.376 3.989 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.206 2.114 2.741 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.269 3.593 2.420 1.00 0.00 H new ATOM 1375 N ASP B 608 12.340 1.587 3.620 1.00 0.00 N ATOM 1376 CA ASP B 608 11.114 1.059 4.205 1.00 0.00 C ATOM 1377 C ASP B 608 10.437 0.076 3.255 1.00 0.00 C ATOM 1378 O ASP B 608 9.932 -0.963 3.679 1.00 0.00 O ATOM 1379 CB ASP B 608 10.154 2.200 4.546 1.00 0.00 C ATOM 1380 CG ASP B 608 9.064 1.772 5.509 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.400 1.328 6.627 1.00 0.00 O ATOM 1382 OD2 ASP B 608 7.875 1.881 5.144 1.00 0.00 O ATOM 0 H ASP B 608 12.375 2.605 3.562 1.00 0.00 H new ATOM 0 HA ASP B 608 11.377 0.529 5.120 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.716 3.026 4.982 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.698 2.574 3.629 1.00 0.00 H new ATOM 1387 N GLU B 609 10.431 0.412 1.969 1.00 0.00 N ATOM 1388 CA GLU B 609 9.814 -0.441 0.960 1.00 0.00 C ATOM 1389 C GLU B 609 10.439 -1.833 0.969 1.00 0.00 C ATOM 1390 O GLU B 609 9.735 -2.840 1.045 1.00 0.00 O ATOM 1391 CB GLU B 609 9.960 0.186 -0.428 1.00 0.00 C ATOM 1392 CG GLU B 609 9.113 1.432 -0.626 1.00 0.00 C ATOM 1393 CD GLU B 609 7.661 1.217 -0.243 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.181 0.070 -0.363 1.00 0.00 O ATOM 1395 OE2 GLU B 609 7.006 2.194 0.175 1.00 0.00 O ATOM 0 H GLU B 609 10.846 1.268 1.601 1.00 0.00 H new ATOM 0 HA GLU B 609 8.755 -0.535 1.199 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.007 0.439 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.686 -0.553 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.526 2.246 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.168 1.742 -1.670 1.00 0.00 H new ATOM 1402 N ALA B 610 11.764 -1.881 0.891 1.00 0.00 N ATOM 1403 CA ALA B 610 12.484 -3.148 0.892 1.00 0.00 C ATOM 1404 C ALA B 610 12.164 -3.961 2.142 1.00 0.00 C ATOM 1405 O ALA B 610 11.897 -5.160 2.064 1.00 0.00 O ATOM 1406 CB ALA B 610 13.982 -2.904 0.788 1.00 0.00 C ATOM 0 H ALA B 610 12.361 -1.057 0.826 1.00 0.00 H new ATOM 0 HA ALA B 610 12.159 -3.722 0.024 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.507 -3.859 0.790 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.201 -2.372 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.313 -2.306 1.637 1.00 0.00 H new ATOM 1412 N VAL B 611 12.194 -3.300 3.295 1.00 0.00 N ATOM 1413 CA VAL B 611 11.906 -3.961 4.563 1.00 0.00 C ATOM 1414 C VAL B 611 10.533 -4.623 4.538 1.00 0.00 C ATOM 1415 O VAL B 611 10.384 -5.780 4.930 1.00 0.00 O ATOM 1416 CB VAL B 611 11.964 -2.968 5.739 1.00 0.00 C ATOM 1417 CG1 VAL B 611 11.569 -3.655 7.037 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.353 -2.357 5.851 1.00 0.00 C ATOM 0 H VAL B 611 12.415 -2.308 3.377 1.00 0.00 H new ATOM 0 HA VAL B 611 12.671 -4.724 4.704 1.00 0.00 H new ATOM 0 HB VAL B 611 11.252 -2.164 5.550 1.00 0.00 H new ATOM 0 HG11 VAL B 611 11.616 -2.938 7.857 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.553 -4.041 6.950 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.254 -4.479 7.236 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.377 -1.658 6.687 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.086 -3.147 6.018 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.593 -1.828 4.929 1.00 0.00 H new ATOM 1428 N ALA B 612 9.533 -3.881 4.075 1.00 0.00 N ATOM 1429 CA ALA B 612 8.172 -4.397 3.997 1.00 0.00 C ATOM 1430 C ALA B 612 8.096 -5.608 3.073 1.00 0.00 C ATOM 1431 O ALA B 612 7.305 -6.525 3.298 1.00 0.00 O ATOM 1432 CB ALA B 612 7.221 -3.308 3.521 1.00 0.00 C ATOM 0 H ALA B 612 9.640 -2.921 3.748 1.00 0.00 H new ATOM 0 HA ALA B 612 7.873 -4.715 4.996 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.208 -3.707 3.467 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.245 -2.473 4.221 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.528 -2.963 2.534 1.00 0.00 H new ATOM 1438 N VAL B 613 8.923 -5.606 2.033 1.00 0.00 N ATOM 1439 CA VAL B 613 8.950 -6.705 1.075 1.00 0.00 C ATOM 1440 C VAL B 613 9.514 -7.972 1.709 1.00 0.00 C ATOM 1441 O VAL B 613 9.202 -9.085 1.281 1.00 0.00 O ATOM 1442 CB VAL B 613 9.789 -6.348 -0.166 1.00 0.00 C ATOM 1443 CG1 VAL B 613 11.021 -7.236 -0.252 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.948 -6.464 -1.428 1.00 0.00 C ATOM 0 H VAL B 613 9.584 -4.855 1.832 1.00 0.00 H new ATOM 0 HA VAL B 613 7.919 -6.883 0.768 1.00 0.00 H new ATOM 0 HB VAL B 613 10.123 -5.314 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.601 -6.969 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.633 -7.097 0.640 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.713 -8.279 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.556 -6.208 -2.295 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.583 -7.486 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL B 613 8.101 -5.781 -1.365 1.00 0.00 H new ATOM 1454 N LEU B 614 10.345 -7.797 2.730 1.00 0.00 N ATOM 1455 CA LEU B 614 10.953 -8.927 3.424 1.00 0.00 C ATOM 1456 C LEU B 614 9.942 -9.612 4.338 1.00 0.00 C ATOM 1457 O LEU B 614 9.646 -10.795 4.174 1.00 0.00 O ATOM 1458 CB LEU B 614 12.161 -8.460 4.239 1.00 0.00 C ATOM 1459 CG LEU B 614 12.825 -9.518 5.120 1.00 0.00 C ATOM 1460 CD1 LEU B 614 12.075 -9.666 6.435 1.00 0.00 C ATOM 1461 CD2 LEU B 614 12.895 -10.852 4.391 1.00 0.00 C ATOM 0 H LEU B 614 10.613 -6.884 3.096 1.00 0.00 H new ATOM 0 HA LEU B 614 11.284 -9.647 2.675 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.909 -8.068 3.550 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.847 -7.632 4.874 1.00 0.00 H new ATOM 0 HG LEU B 614 13.842 -9.193 5.340 1.00 0.00 H new ATOM 0 HD11 LEU B 614 12.563 -10.424 7.049 1.00 0.00 H new ATOM 0 HD12 LEU B 614 12.078 -8.713 6.965 1.00 0.00 H new ATOM 0 HD13 LEU B 614 11.047 -9.967 6.235 1.00 0.00 H new ATOM 0 HD21 LEU B 614 13.371 -11.593 5.033 1.00 0.00 H new ATOM 0 HD22 LEU B 614 11.887 -11.183 4.140 1.00 0.00 H new ATOM 0 HD23 LEU B 614 13.477 -10.737 3.477 1.00 0.00 H new ATOM 1473 N GLN B 615 9.416 -8.859 5.299 1.00 0.00 N ATOM 1474 CA GLN B 615 8.438 -9.395 6.238 1.00 0.00 C ATOM 1475 C GLN B 615 7.243 -9.989 5.500 1.00 0.00 C ATOM 1476 O GLN B 615 6.558 -10.871 6.017 1.00 0.00 O ATOM 1477 CB GLN B 615 7.966 -8.299 7.196 1.00 0.00 C ATOM 1478 CG GLN B 615 7.692 -6.969 6.512 1.00 0.00 C ATOM 1479 CD GLN B 615 6.657 -6.139 7.244 1.00 0.00 C ATOM 1480 OE1 GLN B 615 5.595 -5.830 6.702 1.00 0.00 O ATOM 1481 NE2 GLN B 615 6.960 -5.773 8.484 1.00 0.00 N ATOM 0 H GLN B 615 9.650 -7.877 5.447 1.00 0.00 H new ATOM 0 HA GLN B 615 8.919 -10.188 6.811 1.00 0.00 H new ATOM 0 HB2 GLN B 615 7.058 -8.633 7.698 1.00 0.00 H new ATOM 0 HB3 GLN B 615 8.722 -8.152 7.968 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.621 -6.404 6.440 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.351 -7.152 5.493 1.00 0.00 H new ATOM 0 HE21 GLN B 615 7.851 -6.051 8.894 1.00 0.00 H new ATOM 0 HE22 GLN B 615 6.301 -5.214 9.026 1.00 0.00 H new ATOM 1490 N ALA B 616 6.999 -9.500 4.288 1.00 0.00 N ATOM 1491 CA ALA B 616 5.889 -9.985 3.478 1.00 0.00 C ATOM 1492 C ALA B 616 6.099 -11.439 3.073 1.00 0.00 C ATOM 1493 O ALA B 616 5.168 -12.111 2.627 1.00 0.00 O ATOM 1494 CB ALA B 616 5.715 -9.111 2.245 1.00 0.00 C ATOM 0 H ALA B 616 7.556 -8.768 3.846 1.00 0.00 H new ATOM 0 HA ALA B 616 4.982 -9.931 4.079 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.882 -9.485 1.649 1.00 0.00 H new ATOM 0 HB2 ALA B 616 5.510 -8.085 2.552 1.00 0.00 H new ATOM 0 HB3 ALA B 616 6.628 -9.136 1.650 1.00 0.00 H new