USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 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 Set 1.1: B 599 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 602 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 559 LYS NZ :NH3+ -110:sc= 0.635 (180deg=-0.158) USER MOD Set 2.2: B 560 GLN : amide:sc= -1.22 K(o=-0.58,f=-6.2!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0.0273 K(o=0.027,f=-0.51) USER MOD Single : B 556 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : B 558 GLN : amide:sc= -0.0517 X(o=-0.052,f=0) USER MOD Single : B 561 MET CE :methyl -157:sc= -0.0185 (180deg=-0.434) USER MOD Single : B 571 GLN : amide:sc= -0.174 K(o=-0.17,f=-4.9!) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 101:sc= 1.25 USER MOD Single : B 584 MET CE :methyl -178:sc= -2.25 (180deg=-2.28) USER MOD Single : B 590 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : B 596 MET CE :methyl 169:sc= -0.461 (180deg=-0.774) USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ 147:sc= 0.183 (180deg=-0.476) USER MOD Single : B 615 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.447 -2.427 -6.071 1.00 0.00 N ATOM 68 CA VAL A 77 8.266 -3.857 -5.851 1.00 0.00 C ATOM 69 C VAL A 77 9.598 -4.596 -5.912 1.00 0.00 C ATOM 70 O VAL A 77 9.893 -5.318 -6.864 1.00 0.00 O ATOM 71 CB VAL A 77 7.306 -4.468 -6.889 1.00 0.00 C ATOM 72 CG1 VAL A 77 7.035 -5.930 -6.571 1.00 0.00 C ATOM 73 CG2 VAL A 77 6.007 -3.677 -6.943 1.00 0.00 C ATOM 0 HA VAL A 77 7.835 -3.971 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 77 7.779 -4.416 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.355 -6.344 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.973 -6.486 -6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.583 -6.010 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.340 -4.122 -7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.528 -3.696 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.221 -2.645 -7.222 1.00 0.00 H new ATOM 83 N PRO A 78 10.424 -4.412 -4.871 1.00 0.00 N ATOM 84 CA PRO A 78 11.740 -5.054 -4.782 1.00 0.00 C ATOM 85 C PRO A 78 11.636 -6.559 -4.561 1.00 0.00 C ATOM 86 O PRO A 78 10.546 -7.094 -4.368 1.00 0.00 O ATOM 87 CB PRO A 78 12.382 -4.378 -3.568 1.00 0.00 C ATOM 88 CG PRO A 78 11.233 -3.923 -2.735 1.00 0.00 C ATOM 89 CD PRO A 78 10.138 -3.565 -3.701 1.00 0.00 C ATOM 0 HA PRO A 78 12.313 -4.941 -5.703 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.018 -5.072 -3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.010 -3.539 -3.868 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.910 -4.709 -2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.510 -3.064 -2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.152 -3.773 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.159 -2.506 -3.957 1.00 0.00 H new ATOM 97 N ASN A 79 12.780 -7.237 -4.590 1.00 0.00 N ATOM 98 CA ASN A 79 12.817 -8.681 -4.392 1.00 0.00 C ATOM 99 C ASN A 79 13.557 -9.035 -3.106 1.00 0.00 C ATOM 100 O ASN A 79 14.786 -8.992 -3.052 1.00 0.00 O ATOM 101 CB ASN A 79 13.491 -9.362 -5.585 1.00 0.00 C ATOM 102 CG ASN A 79 12.618 -9.352 -6.825 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.485 -8.328 -7.496 1.00 0.00 O ATOM 104 ND2 ASN A 79 12.017 -10.495 -7.136 1.00 0.00 N ATOM 0 H ASN A 79 13.692 -6.809 -4.749 1.00 0.00 H new ATOM 0 HA ASN A 79 11.791 -9.038 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.433 -8.858 -5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.733 -10.392 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.417 -10.548 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.155 -11.319 -6.552 1.00 0.00 H new ATOM 111 N VAL A 80 12.800 -9.387 -2.072 1.00 0.00 N ATOM 112 CA VAL A 80 13.383 -9.751 -0.786 1.00 0.00 C ATOM 113 C VAL A 80 14.480 -10.796 -0.956 1.00 0.00 C ATOM 114 O VAL A 80 15.408 -10.874 -0.150 1.00 0.00 O ATOM 115 CB VAL A 80 12.315 -10.296 0.181 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.523 -11.417 -0.475 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.960 -10.773 1.473 1.00 0.00 C ATOM 0 H VAL A 80 11.781 -9.428 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 80 13.813 -8.842 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 80 11.624 -9.489 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.773 -11.790 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.029 -11.038 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.198 -12.228 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.191 -11.155 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.675 -11.566 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.478 -9.941 1.950 1.00 0.00 H new ATOM 127 N HIS A 81 14.367 -11.598 -2.010 1.00 0.00 N ATOM 128 CA HIS A 81 15.350 -12.639 -2.287 1.00 0.00 C ATOM 129 C HIS A 81 16.620 -12.041 -2.885 1.00 0.00 C ATOM 130 O HIS A 81 17.015 -12.386 -3.998 1.00 0.00 O ATOM 131 CB HIS A 81 14.766 -13.682 -3.240 1.00 0.00 C ATOM 132 CG HIS A 81 13.379 -14.116 -2.875 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.246 -13.485 -3.344 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.947 -15.125 -2.084 1.00 0.00 C ATOM 135 CE1 HIS A 81 11.176 -14.087 -2.855 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.574 -15.086 -2.088 1.00 0.00 N ATOM 0 H HIS A 81 13.605 -11.547 -2.686 1.00 0.00 H new ATOM 0 HA HIS A 81 15.606 -13.123 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.756 -13.274 -4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.419 -14.555 -3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.566 -15.830 -1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.151 -13.809 -3.049 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.961 -15.725 -1.581 1.00 0.00 H new ATOM 144 N ALA A 82 17.255 -11.144 -2.138 1.00 0.00 N ATOM 145 CA ALA A 82 18.480 -10.500 -2.593 1.00 0.00 C ATOM 146 C ALA A 82 19.568 -10.573 -1.528 1.00 0.00 C ATOM 147 O ALA A 82 19.540 -9.833 -0.545 1.00 0.00 O ATOM 148 CB ALA A 82 18.206 -9.051 -2.971 1.00 0.00 C ATOM 0 H ALA A 82 16.941 -10.847 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 82 18.835 -11.034 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.130 -8.582 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.468 -9.017 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.824 -8.515 -2.103 1.00 0.00 H new ATOM 154 N ALA A 83 20.527 -11.472 -1.728 1.00 0.00 N ATOM 155 CA ALA A 83 21.625 -11.642 -0.785 1.00 0.00 C ATOM 156 C ALA A 83 22.511 -10.402 -0.746 1.00 0.00 C ATOM 157 O ALA A 83 22.327 -9.471 -1.530 1.00 0.00 O ATOM 158 CB ALA A 83 22.447 -12.870 -1.147 1.00 0.00 C ATOM 0 H ALA A 83 20.565 -12.094 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 83 21.200 -11.784 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.264 -12.984 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.812 -13.755 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.856 -12.751 -2.151 1.00 0.00 H new ATOM 164 N GLU A 84 23.474 -10.396 0.171 1.00 0.00 N ATOM 165 CA GLU A 84 24.387 -9.268 0.312 1.00 0.00 C ATOM 166 C GLU A 84 25.018 -8.908 -1.030 1.00 0.00 C ATOM 167 O GLU A 84 25.073 -9.732 -1.944 1.00 0.00 O ATOM 168 CB GLU A 84 25.481 -9.594 1.331 1.00 0.00 C ATOM 169 CG GLU A 84 26.283 -10.838 0.986 1.00 0.00 C ATOM 170 CD GLU A 84 27.597 -10.913 1.740 1.00 0.00 C ATOM 171 OE1 GLU A 84 27.579 -10.752 2.979 1.00 0.00 O ATOM 172 OE2 GLU A 84 28.641 -11.132 1.093 1.00 0.00 O ATOM 0 H GLU A 84 23.642 -11.159 0.827 1.00 0.00 H new ATOM 0 HA GLU A 84 23.814 -8.411 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.159 -8.744 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.024 -9.727 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.688 -11.723 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 84 26.482 -10.852 -0.086 1.00 0.00 H new ATOM 179 N PHE A 85 25.491 -7.671 -1.142 1.00 0.00 N ATOM 180 CA PHE A 85 26.116 -7.200 -2.372 1.00 0.00 C ATOM 181 C PHE A 85 27.604 -7.540 -2.391 1.00 0.00 C ATOM 182 O PHE A 85 28.294 -7.411 -1.380 1.00 0.00 O ATOM 183 CB PHE A 85 25.924 -5.690 -2.521 1.00 0.00 C ATOM 184 CG PHE A 85 27.022 -4.881 -1.891 1.00 0.00 C ATOM 185 CD1 PHE A 85 27.046 -4.670 -0.522 1.00 0.00 C ATOM 186 CD2 PHE A 85 28.029 -4.332 -2.668 1.00 0.00 C ATOM 187 CE1 PHE A 85 28.055 -3.926 0.061 1.00 0.00 C ATOM 188 CE2 PHE A 85 29.041 -3.588 -2.091 1.00 0.00 C ATOM 189 CZ PHE A 85 29.054 -3.384 -0.725 1.00 0.00 C ATOM 0 H PHE A 85 25.453 -6.977 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 85 25.636 -7.704 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.863 -5.442 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.972 -5.407 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.268 -5.091 0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.023 -4.487 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 85 28.062 -3.769 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.821 -3.167 -2.708 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.843 -2.802 -0.272 1.00 0.00 H new ATOM 537 N GLN B 556 31.674 -1.350 -13.309 1.00 0.00 N ATOM 538 CA GLN B 556 31.651 -2.625 -12.602 1.00 0.00 C ATOM 539 C GLN B 556 32.015 -2.438 -11.132 1.00 0.00 C ATOM 540 O GLN B 556 31.633 -3.242 -10.282 1.00 0.00 O ATOM 541 CB GLN B 556 32.617 -3.613 -13.257 1.00 0.00 C ATOM 542 CG GLN B 556 32.016 -4.361 -14.436 1.00 0.00 C ATOM 543 CD GLN B 556 31.911 -3.500 -15.680 1.00 0.00 C ATOM 544 OE1 GLN B 556 32.920 -3.085 -16.249 1.00 0.00 O ATOM 545 NE2 GLN B 556 30.684 -3.226 -16.108 1.00 0.00 N ATOM 0 HA GLN B 556 30.639 -3.026 -12.659 1.00 0.00 H new ATOM 0 HB2 GLN B 556 33.503 -3.074 -13.593 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.947 -4.335 -12.510 1.00 0.00 H new ATOM 0 HG2 GLN B 556 32.626 -5.237 -14.655 1.00 0.00 H new ATOM 0 HG3 GLN B 556 31.024 -4.723 -14.165 1.00 0.00 H new ATOM 0 HE21 GLN B 556 29.875 -3.591 -15.605 1.00 0.00 H new ATOM 0 HE22 GLN B 556 30.551 -2.650 -16.939 1.00 0.00 H new ATOM 554 N GLU B 557 32.755 -1.373 -10.841 1.00 0.00 N ATOM 555 CA GLU B 557 33.170 -1.083 -9.474 1.00 0.00 C ATOM 556 C GLU B 557 32.224 -0.080 -8.819 1.00 0.00 C ATOM 557 O GLU B 557 32.099 -0.038 -7.596 1.00 0.00 O ATOM 558 CB GLU B 557 34.600 -0.537 -9.457 1.00 0.00 C ATOM 559 CG GLU B 557 35.653 -1.579 -9.797 1.00 0.00 C ATOM 560 CD GLU B 557 35.888 -2.561 -8.666 1.00 0.00 C ATOM 561 OE1 GLU B 557 35.883 -2.130 -7.494 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.076 -3.762 -8.953 1.00 0.00 O ATOM 0 H GLU B 557 33.079 -0.697 -11.533 1.00 0.00 H new ATOM 0 HA GLU B 557 33.136 -2.013 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.674 0.287 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.812 -0.127 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.344 -2.125 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.590 -1.078 -10.039 1.00 0.00 H new ATOM 569 N GLN B 558 31.561 0.724 -9.643 1.00 0.00 N ATOM 570 CA GLN B 558 30.627 1.727 -9.144 1.00 0.00 C ATOM 571 C GLN B 558 29.612 1.100 -8.194 1.00 0.00 C ATOM 572 O GLN B 558 29.397 1.593 -7.086 1.00 0.00 O ATOM 573 CB GLN B 558 29.902 2.404 -10.309 1.00 0.00 C ATOM 574 CG GLN B 558 30.700 3.526 -10.952 1.00 0.00 C ATOM 575 CD GLN B 558 30.465 3.628 -12.446 1.00 0.00 C ATOM 576 OE1 GLN B 558 31.406 3.781 -13.226 1.00 0.00 O ATOM 577 NE2 GLN B 558 29.204 3.543 -12.855 1.00 0.00 N ATOM 0 H GLN B 558 31.653 0.701 -10.659 1.00 0.00 H new ATOM 0 HA GLN B 558 31.197 2.477 -8.595 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.669 1.655 -11.066 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.952 2.803 -9.953 1.00 0.00 H new ATOM 0 HG2 GLN B 558 30.434 4.472 -10.481 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.762 3.365 -10.765 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.455 3.416 -12.175 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.985 3.604 -13.849 1.00 0.00 H new ATOM 586 N LYS B 559 28.991 0.012 -8.633 1.00 0.00 N ATOM 587 CA LYS B 559 27.999 -0.684 -7.822 1.00 0.00 C ATOM 588 C LYS B 559 28.554 -1.000 -6.437 1.00 0.00 C ATOM 589 O LYS B 559 27.899 -0.751 -5.425 1.00 0.00 O ATOM 590 CB LYS B 559 27.559 -1.976 -8.514 1.00 0.00 C ATOM 591 CG LYS B 559 28.716 -2.872 -8.922 1.00 0.00 C ATOM 592 CD LYS B 559 28.316 -3.830 -10.031 1.00 0.00 C ATOM 593 CE LYS B 559 27.175 -4.738 -9.598 1.00 0.00 C ATOM 594 NZ LYS B 559 27.559 -5.602 -8.447 1.00 0.00 N ATOM 0 H LYS B 559 29.157 -0.408 -9.548 1.00 0.00 H new ATOM 0 HA LYS B 559 27.135 -0.029 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS B 559 26.900 -2.530 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS B 559 26.976 -1.724 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS B 559 29.553 -2.258 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS B 559 29.061 -3.439 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS B 559 28.017 -3.263 -10.913 1.00 0.00 H new ATOM 0 HD3 LYS B 559 29.176 -4.436 -10.318 1.00 0.00 H new ATOM 0 HE2 LYS B 559 26.312 -4.131 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS B 559 26.871 -5.364 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 27.637 -6.589 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 28.475 -5.287 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.834 -5.533 -7.704 1.00 0.00 H new ATOM 608 N GLN B 560 29.764 -1.548 -6.400 1.00 0.00 N ATOM 609 CA GLN B 560 30.406 -1.897 -5.138 1.00 0.00 C ATOM 610 C GLN B 560 30.612 -0.659 -4.272 1.00 0.00 C ATOM 611 O GLN B 560 30.480 -0.715 -3.050 1.00 0.00 O ATOM 612 CB GLN B 560 31.748 -2.583 -5.397 1.00 0.00 C ATOM 613 CG GLN B 560 31.642 -3.815 -6.280 1.00 0.00 C ATOM 614 CD GLN B 560 30.486 -4.715 -5.889 1.00 0.00 C ATOM 615 OE1 GLN B 560 29.738 -5.191 -6.744 1.00 0.00 O ATOM 616 NE2 GLN B 560 30.334 -4.954 -4.592 1.00 0.00 N ATOM 0 H GLN B 560 30.319 -1.760 -7.229 1.00 0.00 H new ATOM 0 HA GLN B 560 29.752 -2.586 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.427 -1.869 -5.864 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.191 -2.868 -4.443 1.00 0.00 H new ATOM 0 HG2 GLN B 560 31.521 -3.504 -7.318 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.573 -4.380 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN B 560 30.977 -4.539 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN B 560 29.574 -5.553 -4.269 1.00 0.00 H new ATOM 625 N MET B 561 30.938 0.459 -4.914 1.00 0.00 N ATOM 626 CA MET B 561 31.162 1.711 -4.201 1.00 0.00 C ATOM 627 C MET B 561 29.890 2.169 -3.494 1.00 0.00 C ATOM 628 O MET B 561 29.871 2.329 -2.273 1.00 0.00 O ATOM 629 CB MET B 561 31.639 2.795 -5.170 1.00 0.00 C ATOM 630 CG MET B 561 32.929 2.440 -5.891 1.00 0.00 C ATOM 631 SD MET B 561 34.083 3.824 -5.972 1.00 0.00 S ATOM 632 CE MET B 561 33.041 5.092 -6.689 1.00 0.00 C ATOM 0 H MET B 561 31.053 0.523 -5.926 1.00 0.00 H new ATOM 0 HA MET B 561 31.933 1.540 -3.449 1.00 0.00 H new ATOM 0 HB2 MET B 561 30.859 2.980 -5.908 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.784 3.725 -4.620 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.407 1.603 -5.382 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.696 2.107 -6.902 1.00 0.00 H new ATOM 0 HE1 MET B 561 33.664 5.844 -7.173 1.00 0.00 H new ATOM 0 HE2 MET B 561 32.376 4.642 -7.427 1.00 0.00 H new ATOM 0 HE3 MET B 561 32.448 5.562 -5.905 1.00 0.00 H new ATOM 642 N LEU B 562 28.831 2.379 -4.268 1.00 0.00 N ATOM 643 CA LEU B 562 27.555 2.819 -3.715 1.00 0.00 C ATOM 644 C LEU B 562 27.106 1.900 -2.584 1.00 0.00 C ATOM 645 O LEU B 562 26.729 2.362 -1.507 1.00 0.00 O ATOM 646 CB LEU B 562 26.488 2.858 -4.810 1.00 0.00 C ATOM 647 CG LEU B 562 26.562 4.040 -5.778 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.504 3.909 -6.862 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.400 5.354 -5.027 1.00 0.00 C ATOM 0 H LEU B 562 28.831 2.252 -5.280 1.00 0.00 H new ATOM 0 HA LEU B 562 27.689 3.823 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.555 1.936 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.508 2.865 -4.334 1.00 0.00 H new ATOM 0 HG LEU B 562 27.542 4.035 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.572 4.759 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.666 2.986 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.515 3.888 -6.404 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.455 6.185 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.433 5.369 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.195 5.451 -4.288 1.00 0.00 H new ATOM 661 N GLY B 563 27.149 0.595 -2.835 1.00 0.00 N ATOM 662 CA GLY B 563 26.746 -0.369 -1.828 1.00 0.00 C ATOM 663 C GLY B 563 27.654 -0.353 -0.614 1.00 0.00 C ATOM 664 O GLY B 563 27.191 -0.499 0.516 1.00 0.00 O ATOM 0 H GLY B 563 27.456 0.188 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.723 -0.158 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.746 -1.368 -2.265 1.00 0.00 H new ATOM 668 N GLU B 564 28.951 -0.178 -0.849 1.00 0.00 N ATOM 669 CA GLU B 564 29.925 -0.147 0.235 1.00 0.00 C ATOM 670 C GLU B 564 29.611 0.977 1.217 1.00 0.00 C ATOM 671 O GLU B 564 29.634 0.779 2.432 1.00 0.00 O ATOM 672 CB GLU B 564 31.338 0.030 -0.325 1.00 0.00 C ATOM 673 CG GLU B 564 32.088 -1.278 -0.510 1.00 0.00 C ATOM 674 CD GLU B 564 33.573 -1.144 -0.230 1.00 0.00 C ATOM 675 OE1 GLU B 564 34.277 -0.515 -1.047 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.030 -1.669 0.807 1.00 0.00 O ATOM 0 H GLU B 564 29.351 -0.056 -1.779 1.00 0.00 H new ATOM 0 HA GLU B 564 29.869 -1.097 0.767 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.278 0.543 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU B 564 31.907 0.674 0.345 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.664 -2.033 0.152 1.00 0.00 H new ATOM 0 HG3 GLU B 564 31.945 -1.633 -1.531 1.00 0.00 H new ATOM 683 N ARG B 565 29.319 2.158 0.682 1.00 0.00 N ATOM 684 CA ARG B 565 29.001 3.315 1.511 1.00 0.00 C ATOM 685 C ARG B 565 27.590 3.206 2.079 1.00 0.00 C ATOM 686 O ARG B 565 27.305 3.712 3.166 1.00 0.00 O ATOM 687 CB ARG B 565 29.137 4.604 0.698 1.00 0.00 C ATOM 688 CG ARG B 565 30.496 4.766 0.036 1.00 0.00 C ATOM 689 CD ARG B 565 31.410 5.666 0.854 1.00 0.00 C ATOM 690 NE ARG B 565 32.008 4.958 1.982 1.00 0.00 N ATOM 691 CZ ARG B 565 32.506 5.568 3.052 1.00 0.00 C ATOM 692 NH1 ARG B 565 32.475 6.890 3.139 1.00 0.00 N ATOM 693 NH2 ARG B 565 33.034 4.854 4.038 1.00 0.00 N ATOM 0 H ARG B 565 29.296 2.339 -0.322 1.00 0.00 H new ATOM 0 HA ARG B 565 29.707 3.340 2.341 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.364 4.623 -0.070 1.00 0.00 H new ATOM 0 HB3 ARG B 565 28.957 5.457 1.352 1.00 0.00 H new ATOM 0 HG2 ARG B 565 30.961 3.788 -0.087 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.368 5.186 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG B 565 32.199 6.060 0.213 1.00 0.00 H new ATOM 0 HD3 ARG B 565 30.842 6.521 1.222 1.00 0.00 H new ATOM 0 HE ARG B 565 32.046 3.939 1.947 1.00 0.00 H new ATOM 0 HH11 ARG B 565 32.068 7.441 2.383 1.00 0.00 H new ATOM 0 HH12 ARG B 565 32.858 7.356 3.962 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.058 3.836 3.975 1.00 0.00 H new ATOM 0 HH22 ARG B 565 33.416 5.323 4.859 1.00 0.00 H new ATOM 707 N LEU B 566 26.709 2.543 1.338 1.00 0.00 N ATOM 708 CA LEU B 566 25.326 2.367 1.768 1.00 0.00 C ATOM 709 C LEU B 566 25.224 1.304 2.857 1.00 0.00 C ATOM 710 O LEU B 566 24.272 1.288 3.637 1.00 0.00 O ATOM 711 CB LEU B 566 24.447 1.980 0.577 1.00 0.00 C ATOM 712 CG LEU B 566 24.145 3.094 -0.426 1.00 0.00 C ATOM 713 CD1 LEU B 566 23.840 2.510 -1.796 1.00 0.00 C ATOM 714 CD2 LEU B 566 22.986 3.951 0.061 1.00 0.00 C ATOM 0 H LEU B 566 26.928 2.118 0.437 1.00 0.00 H new ATOM 0 HA LEU B 566 24.976 3.314 2.178 1.00 0.00 H new ATOM 0 HB2 LEU B 566 24.931 1.161 0.045 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.501 1.596 0.959 1.00 0.00 H new ATOM 0 HG LEU B 566 25.028 3.728 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.628 3.317 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.700 1.941 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU B 566 22.973 1.853 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU B 566 22.785 4.738 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.098 3.330 0.177 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.243 4.400 1.021 1.00 0.00 H new ATOM 726 N PHE B 567 26.213 0.418 2.905 1.00 0.00 N ATOM 727 CA PHE B 567 26.236 -0.649 3.899 1.00 0.00 C ATOM 728 C PHE B 567 26.099 -0.081 5.309 1.00 0.00 C ATOM 729 O PHE B 567 25.185 -0.426 6.058 1.00 0.00 O ATOM 730 CB PHE B 567 27.533 -1.453 3.785 1.00 0.00 C ATOM 731 CG PHE B 567 27.948 -2.106 5.073 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.079 -2.944 5.752 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.209 -1.882 5.603 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.458 -3.546 6.937 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.593 -2.482 6.787 1.00 0.00 C ATOM 736 CZ PHE B 567 28.717 -3.314 7.455 1.00 0.00 C ATOM 0 H PHE B 567 27.009 0.418 2.267 1.00 0.00 H new ATOM 0 HA PHE B 567 25.390 -1.309 3.708 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.410 -2.221 3.021 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.332 -0.793 3.447 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.094 -3.129 5.351 1.00 0.00 H new ATOM 0 HD2 PHE B 567 29.899 -1.232 5.085 1.00 0.00 H new ATOM 0 HE1 PHE B 567 26.771 -4.197 7.457 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.578 -2.300 7.190 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.016 -3.783 8.381 1.00 0.00 H new ATOM 746 N PRO B 568 27.029 0.811 5.680 1.00 0.00 N ATOM 747 CA PRO B 568 27.034 1.446 7.001 1.00 0.00 C ATOM 748 C PRO B 568 25.881 2.429 7.177 1.00 0.00 C ATOM 749 O PRO B 568 25.348 2.587 8.276 1.00 0.00 O ATOM 750 CB PRO B 568 28.375 2.184 7.035 1.00 0.00 C ATOM 751 CG PRO B 568 28.704 2.437 5.604 1.00 0.00 C ATOM 752 CD PRO B 568 28.147 1.269 4.838 1.00 0.00 C ATOM 0 HA PRO B 568 26.912 0.718 7.803 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.300 3.116 7.595 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.145 1.583 7.518 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.264 3.374 5.262 1.00 0.00 H new ATOM 0 HG3 PRO B 568 29.781 2.520 5.460 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.808 1.565 3.845 1.00 0.00 H new ATOM 0 HD3 PRO B 568 28.893 0.486 4.700 1.00 0.00 H new ATOM 760 N LEU B 569 25.499 3.086 6.087 1.00 0.00 N ATOM 761 CA LEU B 569 24.408 4.053 6.121 1.00 0.00 C ATOM 762 C LEU B 569 23.120 3.405 6.620 1.00 0.00 C ATOM 763 O LEU B 569 22.518 3.865 7.590 1.00 0.00 O ATOM 764 CB LEU B 569 24.186 4.650 4.730 1.00 0.00 C ATOM 765 CG LEU B 569 25.242 5.646 4.250 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.152 5.836 2.744 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.083 6.978 4.968 1.00 0.00 C ATOM 0 H LEU B 569 25.929 2.967 5.170 1.00 0.00 H new ATOM 0 HA LEU B 569 24.683 4.849 6.812 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.133 3.833 4.010 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.216 5.147 4.721 1.00 0.00 H new ATOM 0 HG LEU B 569 26.227 5.244 4.486 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.911 6.548 2.421 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.316 4.880 2.246 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.164 6.216 2.484 1.00 0.00 H new ATOM 0 HD21 LEU B 569 25.843 7.675 4.614 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.093 7.386 4.763 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.199 6.829 6.041 1.00 0.00 H new ATOM 779 N ILE B 570 22.706 2.334 5.951 1.00 0.00 N ATOM 780 CA ILE B 570 21.492 1.621 6.329 1.00 0.00 C ATOM 781 C ILE B 570 21.718 0.773 7.576 1.00 0.00 C ATOM 782 O ILE B 570 20.770 0.404 8.267 1.00 0.00 O ATOM 783 CB ILE B 570 20.994 0.713 5.188 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.746 1.537 3.923 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.728 -0.018 5.608 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.126 0.816 2.649 1.00 0.00 C ATOM 0 H ILE B 570 23.193 1.941 5.145 1.00 0.00 H new ATOM 0 HA ILE B 570 20.735 2.376 6.539 1.00 0.00 H new ATOM 0 HB ILE B 570 21.763 -0.028 4.971 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.691 1.808 3.877 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.312 2.466 3.988 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.388 -0.655 4.792 1.00 0.00 H new ATOM 0 HG22 ILE B 570 19.936 -0.631 6.485 1.00 0.00 H new ATOM 0 HG23 ILE B 570 18.951 0.708 5.849 1.00 0.00 H new ATOM 0 HD11 ILE B 570 20.923 1.459 1.793 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.187 0.568 2.674 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.542 -0.100 2.561 1.00 0.00 H new ATOM 798 N GLN B 571 22.981 0.471 7.858 1.00 0.00 N ATOM 799 CA GLN B 571 23.332 -0.333 9.023 1.00 0.00 C ATOM 800 C GLN B 571 22.822 0.317 10.306 1.00 0.00 C ATOM 801 O GLN B 571 22.627 -0.355 11.318 1.00 0.00 O ATOM 802 CB GLN B 571 24.848 -0.521 9.102 1.00 0.00 C ATOM 803 CG GLN B 571 25.307 -1.247 10.356 1.00 0.00 C ATOM 804 CD GLN B 571 26.816 -1.262 10.503 1.00 0.00 C ATOM 805 OE1 GLN B 571 27.535 -0.659 9.705 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.305 -1.953 11.526 1.00 0.00 N ATOM 0 H GLN B 571 23.778 0.771 7.296 1.00 0.00 H new ATOM 0 HA GLN B 571 22.857 -1.308 8.916 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.183 -1.078 8.227 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.329 0.456 9.061 1.00 0.00 H new ATOM 0 HG2 GLN B 571 24.865 -0.769 11.230 1.00 0.00 H new ATOM 0 HG3 GLN B 571 24.938 -2.272 10.333 1.00 0.00 H new ATOM 0 HE21 GLN B 571 26.673 -2.438 12.163 1.00 0.00 H new ATOM 0 HE22 GLN B 571 28.313 -1.999 11.675 1.00 0.00 H new ATOM 815 N ALA B 572 22.607 1.627 10.255 1.00 0.00 N ATOM 816 CA ALA B 572 22.117 2.366 11.411 1.00 0.00 C ATOM 817 C ALA B 572 20.622 2.142 11.614 1.00 0.00 C ATOM 818 O ALA B 572 20.040 2.618 12.588 1.00 0.00 O ATOM 819 CB ALA B 572 22.413 3.850 11.253 1.00 0.00 C ATOM 0 H ALA B 572 22.765 2.198 9.425 1.00 0.00 H new ATOM 0 HA ALA B 572 22.636 1.995 12.294 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.041 4.390 12.124 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.489 3.999 11.166 1.00 0.00 H new ATOM 0 HB3 ALA B 572 21.921 4.226 10.356 1.00 0.00 H new ATOM 825 N MET B 573 20.007 1.414 10.688 1.00 0.00 N ATOM 826 CA MET B 573 18.579 1.127 10.766 1.00 0.00 C ATOM 827 C MET B 573 18.323 -0.375 10.696 1.00 0.00 C ATOM 828 O MET B 573 17.712 -0.953 11.596 1.00 0.00 O ATOM 829 CB MET B 573 17.832 1.837 9.636 1.00 0.00 C ATOM 830 CG MET B 573 18.270 3.277 9.428 1.00 0.00 C ATOM 831 SD MET B 573 17.096 4.226 8.442 1.00 0.00 S ATOM 832 CE MET B 573 17.860 4.134 6.824 1.00 0.00 C ATOM 0 H MET B 573 20.474 1.012 9.875 1.00 0.00 H new ATOM 0 HA MET B 573 18.211 1.497 11.723 1.00 0.00 H new ATOM 0 HB2 MET B 573 17.981 1.283 8.709 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.763 1.818 9.850 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.396 3.758 10.398 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.243 3.289 8.938 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.249 4.676 6.102 1.00 0.00 H new ATOM 0 HE2 MET B 573 18.854 4.579 6.865 1.00 0.00 H new ATOM 0 HE3 MET B 573 17.942 3.091 6.519 1.00 0.00 H new ATOM 842 N HIS B 574 18.792 -1.002 9.622 1.00 0.00 N ATOM 843 CA HIS B 574 18.614 -2.438 9.436 1.00 0.00 C ATOM 844 C HIS B 574 19.956 -3.128 9.214 1.00 0.00 C ATOM 845 O HIS B 574 20.262 -3.609 8.123 1.00 0.00 O ATOM 846 CB HIS B 574 17.687 -2.708 8.250 1.00 0.00 C ATOM 847 CG HIS B 574 16.317 -2.124 8.416 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.377 -2.644 9.280 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.732 -1.058 7.822 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.272 -1.923 9.210 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.461 -0.954 8.333 1.00 0.00 N ATOM 0 H HIS B 574 19.298 -0.539 8.867 1.00 0.00 H new ATOM 0 HA HIS B 574 18.162 -2.843 10.341 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.139 -2.301 7.346 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.599 -3.785 8.106 1.00 0.00 H new ATOM 0 HD2 HIS B 574 16.181 -0.410 7.084 1.00 0.00 H new ATOM 0 HE1 HIS B 574 13.368 -2.097 9.774 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.775 -0.244 8.077 1.00 0.00 H new ATOM 859 N PRO B 575 20.778 -3.178 10.273 1.00 0.00 N ATOM 860 CA PRO B 575 22.101 -3.808 10.219 1.00 0.00 C ATOM 861 C PRO B 575 22.017 -5.324 10.089 1.00 0.00 C ATOM 862 O PRO B 575 22.955 -5.972 9.623 1.00 0.00 O ATOM 863 CB PRO B 575 22.733 -3.420 11.559 1.00 0.00 C ATOM 864 CG PRO B 575 21.577 -3.182 12.468 1.00 0.00 C ATOM 865 CD PRO B 575 20.479 -2.626 11.605 1.00 0.00 C ATOM 0 HA PRO B 575 22.673 -3.480 9.351 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.377 -4.214 11.937 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.351 -2.527 11.462 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.263 -4.108 12.951 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.842 -2.483 13.261 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.495 -2.937 11.957 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.486 -1.536 11.599 1.00 0.00 H new ATOM 873 N THR B 576 20.886 -5.888 10.504 1.00 0.00 N ATOM 874 CA THR B 576 20.679 -7.329 10.434 1.00 0.00 C ATOM 875 C THR B 576 20.919 -7.851 9.022 1.00 0.00 C ATOM 876 O THR B 576 21.490 -8.926 8.835 1.00 0.00 O ATOM 877 CB THR B 576 19.255 -7.714 10.877 1.00 0.00 C ATOM 878 OG1 THR B 576 18.981 -7.170 12.172 1.00 0.00 O ATOM 879 CG2 THR B 576 19.090 -9.226 10.911 1.00 0.00 C ATOM 0 H THR B 576 20.099 -5.368 10.892 1.00 0.00 H new ATOM 0 HA THR B 576 21.399 -7.785 11.114 1.00 0.00 H new ATOM 0 HB THR B 576 18.550 -7.303 10.155 1.00 0.00 H new ATOM 0 HG1 THR B 576 18.073 -7.418 12.446 1.00 0.00 H new ATOM 0 HG21 THR B 576 18.077 -9.474 11.227 1.00 0.00 H new ATOM 0 HG22 THR B 576 19.271 -9.634 9.917 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.804 -9.654 11.614 1.00 0.00 H new ATOM 887 N LEU B 577 20.481 -7.083 8.030 1.00 0.00 N ATOM 888 CA LEU B 577 20.649 -7.468 6.633 1.00 0.00 C ATOM 889 C LEU B 577 20.991 -6.256 5.772 1.00 0.00 C ATOM 890 O LEU B 577 20.552 -6.152 4.627 1.00 0.00 O ATOM 891 CB LEU B 577 19.376 -8.136 6.111 1.00 0.00 C ATOM 892 CG LEU B 577 18.600 -8.983 7.120 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.607 -8.123 7.887 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.885 -10.128 6.418 1.00 0.00 C ATOM 0 H LEU B 577 20.007 -6.190 8.167 1.00 0.00 H new ATOM 0 HA LEU B 577 21.474 -8.177 6.574 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.712 -7.360 5.732 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.643 -8.769 5.265 1.00 0.00 H new ATOM 0 HG LEU B 577 19.309 -9.406 7.831 1.00 0.00 H new ATOM 0 HD11 LEU B 577 17.064 -8.743 8.600 1.00 0.00 H new ATOM 0 HD12 LEU B 577 18.142 -7.338 8.422 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.902 -7.671 7.189 1.00 0.00 H new ATOM 0 HD21 LEU B 577 17.338 -10.720 7.152 1.00 0.00 H new ATOM 0 HD22 LEU B 577 17.187 -9.726 5.684 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.617 -10.760 5.915 1.00 0.00 H new ATOM 906 N ALA B 578 21.780 -5.344 6.330 1.00 0.00 N ATOM 907 CA ALA B 578 22.185 -4.142 5.611 1.00 0.00 C ATOM 908 C ALA B 578 22.713 -4.484 4.222 1.00 0.00 C ATOM 909 O ALA B 578 22.266 -3.924 3.222 1.00 0.00 O ATOM 910 CB ALA B 578 23.238 -3.382 6.405 1.00 0.00 C ATOM 0 H ALA B 578 22.151 -5.414 7.277 1.00 0.00 H new ATOM 0 HA ALA B 578 21.307 -3.507 5.491 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.531 -2.487 5.857 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.827 -3.096 7.373 1.00 0.00 H new ATOM 0 HB3 ALA B 578 24.110 -4.018 6.554 1.00 0.00 H new ATOM 916 N GLY B 579 23.667 -5.408 4.167 1.00 0.00 N ATOM 917 CA GLY B 579 24.241 -5.808 2.896 1.00 0.00 C ATOM 918 C GLY B 579 23.199 -6.343 1.933 1.00 0.00 C ATOM 919 O GLY B 579 23.186 -5.981 0.756 1.00 0.00 O ATOM 0 H GLY B 579 24.053 -5.887 4.981 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.745 -4.954 2.444 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.999 -6.572 3.067 1.00 0.00 H new ATOM 923 N LYS B 580 22.323 -7.208 2.432 1.00 0.00 N ATOM 924 CA LYS B 580 21.272 -7.794 1.608 1.00 0.00 C ATOM 925 C LYS B 580 20.446 -6.709 0.926 1.00 0.00 C ATOM 926 O LYS B 580 20.390 -6.639 -0.303 1.00 0.00 O ATOM 927 CB LYS B 580 20.362 -8.681 2.462 1.00 0.00 C ATOM 928 CG LYS B 580 20.974 -10.029 2.804 1.00 0.00 C ATOM 929 CD LYS B 580 19.933 -10.990 3.352 1.00 0.00 C ATOM 930 CE LYS B 580 18.934 -11.401 2.280 1.00 0.00 C ATOM 931 NZ LYS B 580 18.006 -12.460 2.763 1.00 0.00 N ATOM 0 H LYS B 580 22.320 -7.519 3.403 1.00 0.00 H new ATOM 0 HA LYS B 580 21.746 -8.403 0.838 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.120 -8.156 3.386 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.423 -8.841 1.932 1.00 0.00 H new ATOM 0 HG2 LYS B 580 21.433 -10.458 1.913 1.00 0.00 H new ATOM 0 HG3 LYS B 580 21.768 -9.894 3.538 1.00 0.00 H new ATOM 0 HD2 LYS B 580 20.428 -11.876 3.749 1.00 0.00 H new ATOM 0 HD3 LYS B 580 19.405 -10.521 4.182 1.00 0.00 H new ATOM 0 HE2 LYS B 580 18.359 -10.530 1.966 1.00 0.00 H new ATOM 0 HE3 LYS B 580 19.471 -11.761 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 17.342 -12.712 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 18.552 -13.301 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 17.475 -12.108 3.585 1.00 0.00 H new ATOM 945 N ILE B 581 19.808 -5.864 1.729 1.00 0.00 N ATOM 946 CA ILE B 581 18.988 -4.781 1.201 1.00 0.00 C ATOM 947 C ILE B 581 19.822 -3.817 0.364 1.00 0.00 C ATOM 948 O ILE B 581 19.337 -3.244 -0.612 1.00 0.00 O ATOM 949 CB ILE B 581 18.296 -3.996 2.331 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.334 -3.472 3.326 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.274 -4.874 3.037 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.736 -3.014 4.638 1.00 0.00 C ATOM 0 H ILE B 581 19.843 -5.909 2.747 1.00 0.00 H new ATOM 0 HA ILE B 581 18.227 -5.241 0.570 1.00 0.00 H new ATOM 0 HB ILE B 581 17.774 -3.144 1.895 1.00 0.00 H new ATOM 0 HG12 ILE B 581 20.065 -4.256 3.523 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.873 -2.641 2.872 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.794 -4.305 3.833 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.521 -5.204 2.321 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.774 -5.743 3.464 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.529 -2.656 5.294 1.00 0.00 H new ATOM 0 HD12 ILE B 581 18.026 -2.208 4.453 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.221 -3.848 5.114 1.00 0.00 H new ATOM 964 N THR B 582 21.082 -3.643 0.752 1.00 0.00 N ATOM 965 CA THR B 582 21.985 -2.750 0.038 1.00 0.00 C ATOM 966 C THR B 582 22.273 -3.266 -1.367 1.00 0.00 C ATOM 967 O THR B 582 22.502 -2.487 -2.291 1.00 0.00 O ATOM 968 CB THR B 582 23.317 -2.577 0.792 1.00 0.00 C ATOM 969 OG1 THR B 582 23.106 -1.829 1.995 1.00 0.00 O ATOM 970 CG2 THR B 582 24.344 -1.868 -0.078 1.00 0.00 C ATOM 0 H THR B 582 21.500 -4.109 1.557 1.00 0.00 H new ATOM 0 HA THR B 582 21.485 -1.784 -0.029 1.00 0.00 H new ATOM 0 HB THR B 582 23.698 -3.567 1.042 1.00 0.00 H new ATOM 0 HG1 THR B 582 23.070 -2.442 2.759 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.276 -1.757 0.476 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.525 -2.455 -0.979 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.968 -0.883 -0.356 1.00 0.00 H new ATOM 978 N GLY B 583 22.259 -4.587 -1.521 1.00 0.00 N ATOM 979 CA GLY B 583 22.520 -5.185 -2.818 1.00 0.00 C ATOM 980 C GLY B 583 21.436 -4.869 -3.830 1.00 0.00 C ATOM 981 O GLY B 583 21.720 -4.359 -4.913 1.00 0.00 O ATOM 0 H GLY B 583 22.072 -5.253 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.479 -4.827 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.605 -6.266 -2.706 1.00 0.00 H new ATOM 985 N MET B 584 20.192 -5.175 -3.478 1.00 0.00 N ATOM 986 CA MET B 584 19.063 -4.920 -4.364 1.00 0.00 C ATOM 987 C MET B 584 18.861 -3.423 -4.572 1.00 0.00 C ATOM 988 O MET B 584 18.587 -2.971 -5.685 1.00 0.00 O ATOM 989 CB MET B 584 17.788 -5.545 -3.794 1.00 0.00 C ATOM 990 CG MET B 584 17.485 -5.112 -2.368 1.00 0.00 C ATOM 991 SD MET B 584 16.706 -6.416 -1.397 1.00 0.00 S ATOM 992 CE MET B 584 15.017 -6.314 -1.986 1.00 0.00 C ATOM 0 H MET B 584 19.940 -5.600 -2.585 1.00 0.00 H new ATOM 0 HA MET B 584 19.282 -5.376 -5.330 1.00 0.00 H new ATOM 0 HB2 MET B 584 16.946 -5.279 -4.433 1.00 0.00 H new ATOM 0 HB3 MET B 584 17.880 -6.631 -3.824 1.00 0.00 H new ATOM 0 HG2 MET B 584 18.411 -4.805 -1.881 1.00 0.00 H new ATOM 0 HG3 MET B 584 16.832 -4.240 -2.388 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.401 -7.037 -1.451 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.631 -5.310 -1.812 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.990 -6.533 -3.053 1.00 0.00 H new ATOM 1002 N LEU B 585 18.997 -2.657 -3.495 1.00 0.00 N ATOM 1003 CA LEU B 585 18.829 -1.210 -3.559 1.00 0.00 C ATOM 1004 C LEU B 585 19.824 -0.589 -4.534 1.00 0.00 C ATOM 1005 O LEU B 585 19.437 0.100 -5.479 1.00 0.00 O ATOM 1006 CB LEU B 585 19.006 -0.594 -2.170 1.00 0.00 C ATOM 1007 CG LEU B 585 17.722 -0.336 -1.381 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.815 0.624 -2.136 1.00 0.00 C ATOM 1009 CD2 LEU B 585 16.998 -1.645 -1.098 1.00 0.00 C ATOM 0 H LEU B 585 19.223 -3.014 -2.567 1.00 0.00 H new ATOM 0 HA LEU B 585 17.820 -1.002 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.644 -1.253 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.538 0.351 -2.279 1.00 0.00 H new ATOM 0 HG LEU B 585 17.989 0.122 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.906 0.796 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.333 1.571 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.555 0.194 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.086 -1.442 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.743 -2.131 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.646 -2.300 -0.516 1.00 0.00 H new ATOM 1021 N LEU B 586 21.108 -0.837 -4.299 1.00 0.00 N ATOM 1022 CA LEU B 586 22.160 -0.305 -5.157 1.00 0.00 C ATOM 1023 C LEU B 586 21.997 -0.801 -6.590 1.00 0.00 C ATOM 1024 O LEU B 586 22.426 -0.143 -7.537 1.00 0.00 O ATOM 1025 CB LEU B 586 23.535 -0.705 -4.620 1.00 0.00 C ATOM 1026 CG LEU B 586 24.089 -2.039 -5.121 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.872 -1.842 -6.410 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.963 -2.687 -4.057 1.00 0.00 C ATOM 0 H LEU B 586 21.445 -1.404 -3.521 1.00 0.00 H new ATOM 0 HA LEU B 586 22.079 0.782 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.246 0.080 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.481 -0.742 -3.532 1.00 0.00 H new ATOM 0 HG LEU B 586 23.250 -2.704 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.259 -2.802 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU B 586 24.217 -1.423 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.703 -1.160 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.349 -3.635 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.796 -2.026 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.371 -2.865 -3.159 1.00 0.00 H new ATOM 1040 N GLU B 587 21.372 -1.965 -6.741 1.00 0.00 N ATOM 1041 CA GLU B 587 21.151 -2.548 -8.059 1.00 0.00 C ATOM 1042 C GLU B 587 20.016 -1.833 -8.787 1.00 0.00 C ATOM 1043 O GLU B 587 19.898 -1.918 -10.009 1.00 0.00 O ATOM 1044 CB GLU B 587 20.833 -4.039 -7.935 1.00 0.00 C ATOM 1045 CG GLU B 587 20.561 -4.717 -9.267 1.00 0.00 C ATOM 1046 CD GLU B 587 21.769 -4.705 -10.184 1.00 0.00 C ATOM 1047 OE1 GLU B 587 22.892 -4.487 -9.683 1.00 0.00 O ATOM 1048 OE2 GLU B 587 21.592 -4.912 -11.403 1.00 0.00 O ATOM 0 H GLU B 587 21.010 -2.522 -5.967 1.00 0.00 H new ATOM 0 HA GLU B 587 22.065 -2.426 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.668 -4.540 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.964 -4.164 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU B 587 20.254 -5.748 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU B 587 19.729 -4.217 -9.762 1.00 0.00 H new ATOM 1055 N ILE B 588 19.184 -1.129 -8.026 1.00 0.00 N ATOM 1056 CA ILE B 588 18.060 -0.399 -8.598 1.00 0.00 C ATOM 1057 C ILE B 588 18.501 0.446 -9.788 1.00 0.00 C ATOM 1058 O ILE B 588 18.038 0.246 -10.911 1.00 0.00 O ATOM 1059 CB ILE B 588 17.391 0.514 -7.554 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.749 -0.326 -6.447 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.354 1.408 -8.217 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.177 0.501 -5.316 1.00 0.00 C ATOM 0 H ILE B 588 19.267 -1.049 -7.013 1.00 0.00 H new ATOM 0 HA ILE B 588 17.338 -1.144 -8.932 1.00 0.00 H new ATOM 0 HB ILE B 588 18.155 1.149 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.955 -0.935 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.494 -1.012 -6.044 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.891 2.047 -7.465 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.837 2.028 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.590 0.791 -8.689 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.739 -0.159 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE B 588 16.971 1.091 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.408 1.168 -5.706 1.00 0.00 H new ATOM 1074 N ASP B 589 19.399 1.392 -9.534 1.00 0.00 N ATOM 1075 CA ASP B 589 19.906 2.267 -10.585 1.00 0.00 C ATOM 1076 C ASP B 589 20.890 3.284 -10.016 1.00 0.00 C ATOM 1077 O ASP B 589 20.564 4.029 -9.093 1.00 0.00 O ATOM 1078 CB ASP B 589 18.750 2.989 -11.278 1.00 0.00 C ATOM 1079 CG ASP B 589 18.791 2.834 -12.786 1.00 0.00 C ATOM 1080 OD1 ASP B 589 19.892 2.951 -13.365 1.00 0.00 O ATOM 1081 OD2 ASP B 589 17.723 2.595 -13.386 1.00 0.00 O ATOM 0 H ASP B 589 19.791 1.572 -8.610 1.00 0.00 H new ATOM 0 HA ASP B 589 20.430 1.651 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.804 2.600 -10.901 1.00 0.00 H new ATOM 0 HB3 ASP B 589 18.782 4.048 -11.024 1.00 0.00 H new ATOM 1086 N ASN B 590 22.096 3.309 -10.574 1.00 0.00 N ATOM 1087 CA ASN B 590 23.129 4.234 -10.122 1.00 0.00 C ATOM 1088 C ASN B 590 22.741 5.676 -10.432 1.00 0.00 C ATOM 1089 O ASN B 590 23.137 6.603 -9.725 1.00 0.00 O ATOM 1090 CB ASN B 590 24.468 3.900 -10.783 1.00 0.00 C ATOM 1091 CG ASN B 590 25.061 2.604 -10.267 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.473 1.533 -10.423 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.232 2.695 -9.647 1.00 0.00 N ATOM 0 H ASN B 590 22.382 2.699 -11.340 1.00 0.00 H new ATOM 0 HA ASN B 590 23.229 4.128 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.329 3.829 -11.862 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.171 4.714 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.680 1.856 -9.278 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.683 3.603 -9.540 1.00 0.00 H new ATOM 1100 N SER B 591 21.964 5.859 -11.495 1.00 0.00 N ATOM 1101 CA SER B 591 21.525 7.189 -11.901 1.00 0.00 C ATOM 1102 C SER B 591 20.700 7.848 -10.801 1.00 0.00 C ATOM 1103 O SER B 591 20.891 9.023 -10.487 1.00 0.00 O ATOM 1104 CB SER B 591 20.704 7.106 -13.190 1.00 0.00 C ATOM 1105 OG SER B 591 21.527 6.788 -14.299 1.00 0.00 O ATOM 0 H SER B 591 21.626 5.103 -12.090 1.00 0.00 H new ATOM 0 HA SER B 591 22.411 7.798 -12.081 1.00 0.00 H new ATOM 0 HB2 SER B 591 19.926 6.350 -13.082 1.00 0.00 H new ATOM 0 HB3 SER B 591 20.202 8.057 -13.367 1.00 0.00 H new ATOM 0 HG SER B 591 20.979 6.739 -15.110 1.00 0.00 H new ATOM 1111 N GLU B 592 19.782 7.083 -10.218 1.00 0.00 N ATOM 1112 CA GLU B 592 18.926 7.593 -9.153 1.00 0.00 C ATOM 1113 C GLU B 592 19.671 7.615 -7.821 1.00 0.00 C ATOM 1114 O GLU B 592 19.602 8.592 -7.074 1.00 0.00 O ATOM 1115 CB GLU B 592 17.663 6.739 -9.030 1.00 0.00 C ATOM 1116 CG GLU B 592 16.964 6.491 -10.357 1.00 0.00 C ATOM 1117 CD GLU B 592 15.484 6.206 -10.193 1.00 0.00 C ATOM 1118 OE1 GLU B 592 14.787 7.033 -9.568 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.023 5.157 -10.689 1.00 0.00 O ATOM 0 H GLU B 592 19.612 6.108 -10.465 1.00 0.00 H new ATOM 0 HA GLU B 592 18.641 8.614 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.925 5.780 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.968 7.230 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.093 7.362 -11.000 1.00 0.00 H new ATOM 0 HG3 GLU B 592 17.438 5.649 -10.861 1.00 0.00 H new ATOM 1126 N LEU B 593 20.381 6.531 -7.530 1.00 0.00 N ATOM 1127 CA LEU B 593 21.138 6.423 -6.288 1.00 0.00 C ATOM 1128 C LEU B 593 22.051 7.631 -6.100 1.00 0.00 C ATOM 1129 O LEU B 593 22.132 8.198 -5.010 1.00 0.00 O ATOM 1130 CB LEU B 593 21.967 5.137 -6.282 1.00 0.00 C ATOM 1131 CG LEU B 593 21.176 3.829 -6.241 1.00 0.00 C ATOM 1132 CD1 LEU B 593 21.985 2.697 -6.854 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.779 3.491 -4.811 1.00 0.00 C ATOM 0 H LEU B 593 20.448 5.714 -8.137 1.00 0.00 H new ATOM 0 HA LEU B 593 20.429 6.394 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.596 5.130 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.634 5.162 -5.420 1.00 0.00 H new ATOM 0 HG LEU B 593 20.267 3.957 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.406 1.774 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.218 2.937 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU B 593 22.911 2.567 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.217 2.557 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.675 3.382 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.160 4.292 -4.406 1.00 0.00 H new ATOM 1145 N LEU B 594 22.736 8.020 -7.170 1.00 0.00 N ATOM 1146 CA LEU B 594 23.642 9.162 -7.125 1.00 0.00 C ATOM 1147 C LEU B 594 22.960 10.373 -6.497 1.00 0.00 C ATOM 1148 O LEU B 594 23.583 11.134 -5.755 1.00 0.00 O ATOM 1149 CB LEU B 594 24.127 9.509 -8.533 1.00 0.00 C ATOM 1150 CG LEU B 594 25.482 10.212 -8.622 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.422 11.574 -7.948 1.00 0.00 C ATOM 1152 CD2 LEU B 594 26.571 9.353 -7.996 1.00 0.00 C ATOM 0 H LEU B 594 22.681 7.561 -8.079 1.00 0.00 H new ATOM 0 HA LEU B 594 24.499 8.890 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU B 594 24.179 8.589 -9.115 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.379 10.144 -9.007 1.00 0.00 H new ATOM 0 HG LEU B 594 25.724 10.360 -9.674 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.395 12.059 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU B 594 24.671 12.191 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.157 11.449 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.528 9.869 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU B 594 26.334 9.173 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU B 594 26.631 8.401 -8.523 1.00 0.00 H new ATOM 1164 N HIS B 595 21.676 10.545 -6.797 1.00 0.00 N ATOM 1165 CA HIS B 595 20.909 11.663 -6.259 1.00 0.00 C ATOM 1166 C HIS B 595 20.321 11.312 -4.895 1.00 0.00 C ATOM 1167 O HIS B 595 20.064 12.192 -4.075 1.00 0.00 O ATOM 1168 CB HIS B 595 19.789 12.052 -7.225 1.00 0.00 C ATOM 1169 CG HIS B 595 19.370 13.485 -7.110 1.00 0.00 C ATOM 1170 ND1 HIS B 595 18.054 13.876 -6.975 1.00 0.00 N ATOM 1171 CD2 HIS B 595 20.101 14.624 -7.108 1.00 0.00 C ATOM 1172 CE1 HIS B 595 17.994 15.193 -6.897 1.00 0.00 C ATOM 1173 NE2 HIS B 595 19.223 15.671 -6.975 1.00 0.00 N ATOM 0 H HIS B 595 21.146 9.925 -7.409 1.00 0.00 H new ATOM 0 HA HIS B 595 21.584 12.510 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS B 595 20.118 11.859 -8.246 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.925 11.413 -7.042 1.00 0.00 H new ATOM 0 HD2 HIS B 595 21.175 14.696 -7.195 1.00 0.00 H new ATOM 0 HE1 HIS B 595 17.094 15.779 -6.788 1.00 0.00 H new ATOM 0 HE2 HIS B 595 19.478 16.658 -6.942 1.00 0.00 H new ATOM 1181 N MET B 596 20.110 10.021 -4.662 1.00 0.00 N ATOM 1182 CA MET B 596 19.553 9.554 -3.397 1.00 0.00 C ATOM 1183 C MET B 596 20.556 9.733 -2.262 1.00 0.00 C ATOM 1184 O MET B 596 20.177 9.837 -1.095 1.00 0.00 O ATOM 1185 CB MET B 596 19.145 8.084 -3.507 1.00 0.00 C ATOM 1186 CG MET B 596 17.954 7.850 -4.422 1.00 0.00 C ATOM 1187 SD MET B 596 17.721 6.108 -4.827 1.00 0.00 S ATOM 1188 CE MET B 596 17.846 5.364 -3.203 1.00 0.00 C ATOM 0 H MET B 596 20.316 9.280 -5.332 1.00 0.00 H new ATOM 0 HA MET B 596 18.670 10.153 -3.174 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.994 7.507 -3.874 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.908 7.706 -2.512 1.00 0.00 H new ATOM 0 HG2 MET B 596 17.052 8.231 -3.943 1.00 0.00 H new ATOM 0 HG3 MET B 596 18.091 8.418 -5.342 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.532 4.322 -3.255 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.879 5.415 -2.858 1.00 0.00 H new ATOM 0 HE3 MET B 596 17.204 5.902 -2.506 1.00 0.00 H new ATOM 1198 N LEU B 597 21.837 9.767 -2.611 1.00 0.00 N ATOM 1199 CA LEU B 597 22.896 9.933 -1.621 1.00 0.00 C ATOM 1200 C LEU B 597 22.589 11.097 -0.685 1.00 0.00 C ATOM 1201 O LEU B 597 22.569 10.936 0.534 1.00 0.00 O ATOM 1202 CB LEU B 597 24.240 10.162 -2.316 1.00 0.00 C ATOM 1203 CG LEU B 597 24.581 9.197 -3.452 1.00 0.00 C ATOM 1204 CD1 LEU B 597 26.018 9.398 -3.908 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.355 7.757 -3.014 1.00 0.00 C ATOM 0 H LEU B 597 22.168 9.682 -3.572 1.00 0.00 H new ATOM 0 HA LEU B 597 22.952 9.020 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU B 597 24.253 11.177 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU B 597 25.029 10.102 -1.566 1.00 0.00 H new ATOM 0 HG LEU B 597 23.921 9.408 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.244 8.703 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU B 597 26.148 10.421 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.694 9.214 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.603 7.084 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.990 7.533 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.310 7.621 -2.736 1.00 0.00 H new ATOM 1217 N GLU B 598 22.348 12.269 -1.266 1.00 0.00 N ATOM 1218 CA GLU B 598 22.041 13.460 -0.483 1.00 0.00 C ATOM 1219 C GLU B 598 20.532 13.655 -0.359 1.00 0.00 C ATOM 1220 O GLU B 598 20.058 14.762 -0.106 1.00 0.00 O ATOM 1221 CB GLU B 598 22.675 14.696 -1.123 1.00 0.00 C ATOM 1222 CG GLU B 598 21.988 15.138 -2.404 1.00 0.00 C ATOM 1223 CD GLU B 598 22.824 16.118 -3.206 1.00 0.00 C ATOM 1224 OE1 GLU B 598 24.038 15.873 -3.364 1.00 0.00 O ATOM 1225 OE2 GLU B 598 22.262 17.129 -3.676 1.00 0.00 O ATOM 0 H GLU B 598 22.360 12.418 -2.275 1.00 0.00 H new ATOM 0 HA GLU B 598 22.456 13.324 0.516 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.653 15.517 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.723 14.487 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.773 14.263 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU B 598 21.031 15.598 -2.159 1.00 0.00 H new ATOM 1232 N SER B 599 19.785 12.571 -0.541 1.00 0.00 N ATOM 1233 CA SER B 599 18.330 12.623 -0.454 1.00 0.00 C ATOM 1234 C SER B 599 17.822 11.742 0.683 1.00 0.00 C ATOM 1235 O SER B 599 17.392 10.607 0.479 1.00 0.00 O ATOM 1236 CB SER B 599 17.703 12.179 -1.778 1.00 0.00 C ATOM 1237 OG SER B 599 16.414 12.744 -1.946 1.00 0.00 O ATOM 0 H SER B 599 20.163 11.647 -0.749 1.00 0.00 H new ATOM 0 HA SER B 599 18.039 13.653 -0.250 1.00 0.00 H new ATOM 0 HB2 SER B 599 18.345 12.478 -2.606 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.633 11.092 -1.805 1.00 0.00 H new ATOM 0 HG SER B 599 16.035 12.447 -2.800 1.00 0.00 H new ATOM 1243 N PRO B 600 17.871 12.277 1.912 1.00 0.00 N ATOM 1244 CA PRO B 600 17.420 11.558 3.107 1.00 0.00 C ATOM 1245 C PRO B 600 15.906 11.380 3.139 1.00 0.00 C ATOM 1246 O PRO B 600 15.374 10.671 3.992 1.00 0.00 O ATOM 1247 CB PRO B 600 17.877 12.459 4.257 1.00 0.00 C ATOM 1248 CG PRO B 600 17.956 13.822 3.661 1.00 0.00 C ATOM 1249 CD PRO B 600 18.371 13.625 2.229 1.00 0.00 C ATOM 0 HA PRO B 600 17.826 10.547 3.152 1.00 0.00 H new ATOM 0 HB2 PRO B 600 17.171 12.430 5.087 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.843 12.142 4.649 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.994 14.331 3.722 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.678 14.440 4.195 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.933 14.380 1.576 1.00 0.00 H new ATOM 0 HD3 PRO B 600 19.453 13.690 2.111 1.00 0.00 H new ATOM 1257 N GLU B 601 15.218 12.028 2.204 1.00 0.00 N ATOM 1258 CA GLU B 601 13.765 11.940 2.127 1.00 0.00 C ATOM 1259 C GLU B 601 13.336 10.761 1.257 1.00 0.00 C ATOM 1260 O GLU B 601 12.230 10.241 1.399 1.00 0.00 O ATOM 1261 CB GLU B 601 13.182 13.239 1.566 1.00 0.00 C ATOM 1262 CG GLU B 601 13.625 13.542 0.145 1.00 0.00 C ATOM 1263 CD GLU B 601 13.149 14.898 -0.338 1.00 0.00 C ATOM 1264 OE1 GLU B 601 11.931 15.163 -0.257 1.00 0.00 O ATOM 1265 OE2 GLU B 601 13.995 15.694 -0.797 1.00 0.00 O ATOM 0 H GLU B 601 15.643 12.619 1.490 1.00 0.00 H new ATOM 0 HA GLU B 601 13.383 11.784 3.136 1.00 0.00 H new ATOM 0 HB2 GLU B 601 12.094 13.180 1.594 1.00 0.00 H new ATOM 0 HB3 GLU B 601 13.473 14.067 2.213 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.713 13.503 0.092 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.245 12.769 -0.523 1.00 0.00 H new ATOM 1272 N SER B 602 14.221 10.346 0.356 1.00 0.00 N ATOM 1273 CA SER B 602 13.933 9.232 -0.540 1.00 0.00 C ATOM 1274 C SER B 602 14.604 7.952 -0.048 1.00 0.00 C ATOM 1275 O SER B 602 14.049 6.860 -0.171 1.00 0.00 O ATOM 1276 CB SER B 602 14.406 9.556 -1.958 1.00 0.00 C ATOM 1277 OG SER B 602 13.709 10.671 -2.486 1.00 0.00 O ATOM 0 H SER B 602 15.142 10.764 0.227 1.00 0.00 H new ATOM 0 HA SER B 602 12.854 9.076 -0.551 1.00 0.00 H new ATOM 0 HB2 SER B 602 15.476 9.763 -1.949 1.00 0.00 H new ATOM 0 HB3 SER B 602 14.254 8.690 -2.602 1.00 0.00 H new ATOM 0 HG SER B 602 14.031 10.859 -3.392 1.00 0.00 H new ATOM 1283 N LEU B 603 15.801 8.096 0.510 1.00 0.00 N ATOM 1284 CA LEU B 603 16.549 6.953 1.021 1.00 0.00 C ATOM 1285 C LEU B 603 15.681 6.103 1.944 1.00 0.00 C ATOM 1286 O LEU B 603 15.411 4.936 1.658 1.00 0.00 O ATOM 1287 CB LEU B 603 17.796 7.427 1.769 1.00 0.00 C ATOM 1288 CG LEU B 603 18.591 6.346 2.503 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.194 5.362 1.512 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.678 6.975 3.362 1.00 0.00 C ATOM 0 H LEU B 603 16.274 8.993 0.620 1.00 0.00 H new ATOM 0 HA LEU B 603 16.853 6.341 0.172 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.459 7.916 1.055 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.495 8.183 2.494 1.00 0.00 H new ATOM 0 HG LEU B 603 17.910 5.801 3.156 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.756 4.600 2.052 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.397 4.887 0.940 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.862 5.892 0.833 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.234 6.191 3.877 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.358 7.546 2.729 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.223 7.639 4.096 1.00 0.00 H new ATOM 1302 N ARG B 604 15.246 6.696 3.051 1.00 0.00 N ATOM 1303 CA ARG B 604 14.408 5.994 4.015 1.00 0.00 C ATOM 1304 C ARG B 604 13.204 5.356 3.327 1.00 0.00 C ATOM 1305 O ARG B 604 12.734 4.295 3.734 1.00 0.00 O ATOM 1306 CB ARG B 604 13.935 6.955 5.107 1.00 0.00 C ATOM 1307 CG ARG B 604 12.829 7.894 4.654 1.00 0.00 C ATOM 1308 CD ARG B 604 11.453 7.317 4.948 1.00 0.00 C ATOM 1309 NE ARG B 604 10.562 8.306 5.550 1.00 0.00 N ATOM 1310 CZ ARG B 604 10.721 8.786 6.778 1.00 0.00 C ATOM 1311 NH1 ARG B 604 11.731 8.372 7.530 1.00 0.00 N ATOM 1312 NH2 ARG B 604 9.868 9.684 7.256 1.00 0.00 N ATOM 0 H ARG B 604 15.460 7.661 3.302 1.00 0.00 H new ATOM 0 HA ARG B 604 15.005 5.204 4.470 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.582 6.376 5.961 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.784 7.546 5.452 1.00 0.00 H new ATOM 0 HG2 ARG B 604 12.937 8.855 5.157 1.00 0.00 H new ATOM 0 HG3 ARG B 604 12.925 8.082 3.585 1.00 0.00 H new ATOM 0 HD2 ARG B 604 11.011 6.946 4.024 1.00 0.00 H new ATOM 0 HD3 ARG B 604 11.553 6.464 5.619 1.00 0.00 H new ATOM 0 HE ARG B 604 9.775 8.646 4.997 1.00 0.00 H new ATOM 0 HH11 ARG B 604 12.389 7.683 7.166 1.00 0.00 H new ATOM 0 HH12 ARG B 604 11.850 8.743 8.473 1.00 0.00 H new ATOM 0 HH21 ARG B 604 9.090 10.006 6.680 1.00 0.00 H new ATOM 0 HH22 ARG B 604 9.991 10.052 8.199 1.00 0.00 H new ATOM 1326 N SER B 605 12.711 6.013 2.281 1.00 0.00 N ATOM 1327 CA SER B 605 11.560 5.513 1.539 1.00 0.00 C ATOM 1328 C SER B 605 11.862 4.153 0.918 1.00 0.00 C ATOM 1329 O SER B 605 11.164 3.171 1.173 1.00 0.00 O ATOM 1330 CB SER B 605 11.160 6.507 0.447 1.00 0.00 C ATOM 1331 OG SER B 605 9.773 6.425 0.166 1.00 0.00 O ATOM 0 H SER B 605 13.091 6.892 1.929 1.00 0.00 H new ATOM 0 HA SER B 605 10.731 5.398 2.238 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.411 7.520 0.763 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.731 6.305 -0.460 1.00 0.00 H new ATOM 0 HG SER B 605 9.542 7.071 -0.534 1.00 0.00 H new ATOM 1337 N LYS B 606 12.909 4.102 0.101 1.00 0.00 N ATOM 1338 CA LYS B 606 13.308 2.863 -0.557 1.00 0.00 C ATOM 1339 C LYS B 606 13.585 1.768 0.468 1.00 0.00 C ATOM 1340 O LYS B 606 13.147 0.629 0.307 1.00 0.00 O ATOM 1341 CB LYS B 606 14.550 3.097 -1.419 1.00 0.00 C ATOM 1342 CG LYS B 606 14.398 4.238 -2.409 1.00 0.00 C ATOM 1343 CD LYS B 606 13.247 3.993 -3.370 1.00 0.00 C ATOM 1344 CE LYS B 606 13.544 2.837 -4.312 1.00 0.00 C ATOM 1345 NZ LYS B 606 12.995 1.550 -3.800 1.00 0.00 N ATOM 0 H LYS B 606 13.497 4.905 -0.121 1.00 0.00 H new ATOM 0 HA LYS B 606 12.487 2.538 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.400 3.303 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS B 606 14.781 2.182 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS B 606 14.230 5.170 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS B 606 15.324 4.358 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS B 606 12.339 3.780 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS B 606 13.057 4.896 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS B 606 13.118 3.049 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS B 606 14.622 2.745 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 12.703 0.954 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 13.725 1.056 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 12.172 1.741 -3.193 1.00 0.00 H new ATOM 1359 N VAL B 607 14.314 2.121 1.522 1.00 0.00 N ATOM 1360 CA VAL B 607 14.647 1.168 2.574 1.00 0.00 C ATOM 1361 C VAL B 607 13.393 0.499 3.127 1.00 0.00 C ATOM 1362 O VAL B 607 13.274 -0.726 3.115 1.00 0.00 O ATOM 1363 CB VAL B 607 15.404 1.850 3.730 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.711 0.848 4.832 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.680 2.501 3.219 1.00 0.00 C ATOM 0 H VAL B 607 14.685 3.060 1.670 1.00 0.00 H new ATOM 0 HA VAL B 607 15.290 0.412 2.124 1.00 0.00 H new ATOM 0 HB VAL B 607 14.768 2.630 4.149 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.246 1.348 5.640 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.779 0.433 5.216 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.328 0.044 4.431 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.202 2.978 4.048 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.323 1.742 2.774 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.430 3.251 2.468 1.00 0.00 H new ATOM 1375 N ASP B 608 12.461 1.312 3.611 1.00 0.00 N ATOM 1376 CA ASP B 608 11.214 0.799 4.168 1.00 0.00 C ATOM 1377 C ASP B 608 10.479 -0.066 3.149 1.00 0.00 C ATOM 1378 O ASP B 608 9.936 -1.116 3.490 1.00 0.00 O ATOM 1379 CB ASP B 608 10.317 1.955 4.616 1.00 0.00 C ATOM 1380 CG ASP B 608 9.249 1.512 5.596 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.407 0.429 6.198 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.254 2.249 5.762 1.00 0.00 O ATOM 0 H ASP B 608 12.545 2.328 3.629 1.00 0.00 H new ATOM 0 HA ASP B 608 11.458 0.182 5.033 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.930 2.729 5.077 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.842 2.402 3.743 1.00 0.00 H new ATOM 1387 N GLU B 609 10.465 0.384 1.898 1.00 0.00 N ATOM 1388 CA GLU B 609 9.795 -0.348 0.831 1.00 0.00 C ATOM 1389 C GLU B 609 10.317 -1.780 0.742 1.00 0.00 C ATOM 1390 O GLU B 609 9.540 -2.733 0.690 1.00 0.00 O ATOM 1391 CB GLU B 609 9.994 0.363 -0.509 1.00 0.00 C ATOM 1392 CG GLU B 609 9.080 1.561 -0.705 1.00 0.00 C ATOM 1393 CD GLU B 609 9.118 2.098 -2.122 1.00 0.00 C ATOM 1394 OE1 GLU B 609 10.212 2.105 -2.724 1.00 0.00 O ATOM 1395 OE2 GLU B 609 8.054 2.512 -2.629 1.00 0.00 O ATOM 0 H GLU B 609 10.910 1.252 1.599 1.00 0.00 H new ATOM 0 HA GLU B 609 8.730 -0.381 1.062 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.031 0.691 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.824 -0.349 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.058 1.278 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.370 2.352 -0.013 1.00 0.00 H new ATOM 1402 N ALA B 610 11.638 -1.921 0.725 1.00 0.00 N ATOM 1403 CA ALA B 610 12.265 -3.235 0.644 1.00 0.00 C ATOM 1404 C ALA B 610 11.929 -4.079 1.868 1.00 0.00 C ATOM 1405 O ALA B 610 11.357 -5.163 1.749 1.00 0.00 O ATOM 1406 CB ALA B 610 13.773 -3.092 0.497 1.00 0.00 C ATOM 0 H ALA B 610 12.295 -1.142 0.766 1.00 0.00 H new ATOM 0 HA ALA B 610 11.872 -3.745 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.228 -4.081 0.438 1.00 0.00 H new ATOM 0 HB2 ALA B 610 13.999 -2.534 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.174 -2.559 1.359 1.00 0.00 H new ATOM 1412 N VAL B 611 12.288 -3.577 3.045 1.00 0.00 N ATOM 1413 CA VAL B 611 12.025 -4.286 4.292 1.00 0.00 C ATOM 1414 C VAL B 611 10.566 -4.723 4.377 1.00 0.00 C ATOM 1415 O VAL B 611 10.252 -5.760 4.960 1.00 0.00 O ATOM 1416 CB VAL B 611 12.360 -3.413 5.516 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.009 -4.142 6.804 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.828 -3.016 5.500 1.00 0.00 C ATOM 0 H VAL B 611 12.762 -2.681 3.161 1.00 0.00 H new ATOM 0 HA VAL B 611 12.667 -5.167 4.297 1.00 0.00 H new ATOM 0 HB VAL B 611 11.761 -2.504 5.468 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.253 -3.510 7.658 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.943 -4.370 6.814 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.579 -5.069 6.864 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.048 -2.400 6.372 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.448 -3.912 5.524 1.00 0.00 H new ATOM 0 HG23 VAL B 611 14.042 -2.451 4.593 1.00 0.00 H new ATOM 1428 N ALA B 612 9.680 -3.925 3.792 1.00 0.00 N ATOM 1429 CA ALA B 612 8.255 -4.230 3.799 1.00 0.00 C ATOM 1430 C ALA B 612 7.926 -5.339 2.805 1.00 0.00 C ATOM 1431 O ALA B 612 7.064 -6.180 3.060 1.00 0.00 O ATOM 1432 CB ALA B 612 7.445 -2.981 3.487 1.00 0.00 C ATOM 0 H ALA B 612 9.924 -3.062 3.307 1.00 0.00 H new ATOM 0 HA ALA B 612 7.989 -4.581 4.796 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.383 -3.225 3.496 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.649 -2.218 4.239 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.723 -2.604 2.503 1.00 0.00 H new ATOM 1438 N VAL B 613 8.617 -5.333 1.669 1.00 0.00 N ATOM 1439 CA VAL B 613 8.398 -6.338 0.636 1.00 0.00 C ATOM 1440 C VAL B 613 8.541 -7.747 1.201 1.00 0.00 C ATOM 1441 O VAL B 613 7.962 -8.700 0.677 1.00 0.00 O ATOM 1442 CB VAL B 613 9.384 -6.164 -0.534 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.568 -7.107 -0.381 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.679 -6.392 -1.863 1.00 0.00 C ATOM 0 H VAL B 613 9.333 -4.643 1.441 1.00 0.00 H new ATOM 0 HA VAL B 613 7.381 -6.198 0.269 1.00 0.00 H new ATOM 0 HB VAL B 613 9.761 -5.141 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.253 -6.969 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.087 -6.891 0.553 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.213 -8.138 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.391 -6.265 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.272 -7.403 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL B 613 7.868 -5.672 -1.973 1.00 0.00 H new ATOM 1454 N LEU B 614 9.316 -7.873 2.273 1.00 0.00 N ATOM 1455 CA LEU B 614 9.536 -9.166 2.911 1.00 0.00 C ATOM 1456 C LEU B 614 8.275 -9.642 3.624 1.00 0.00 C ATOM 1457 O LEU B 614 7.823 -10.769 3.420 1.00 0.00 O ATOM 1458 CB LEU B 614 10.695 -9.077 3.904 1.00 0.00 C ATOM 1459 CG LEU B 614 10.914 -10.302 4.793 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.023 -10.235 6.023 1.00 0.00 C ATOM 1461 CD2 LEU B 614 10.652 -11.581 4.011 1.00 0.00 C ATOM 0 H LEU B 614 9.803 -7.095 2.719 1.00 0.00 H new ATOM 0 HA LEU B 614 9.787 -9.889 2.135 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.612 -8.890 3.345 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.531 -8.212 4.546 1.00 0.00 H new ATOM 0 HG LEU B 614 11.953 -10.307 5.123 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.193 -11.115 6.644 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.258 -9.337 6.594 1.00 0.00 H new ATOM 0 HD13 LEU B 614 8.978 -10.205 5.714 1.00 0.00 H new ATOM 0 HD21 LEU B 614 10.812 -12.443 4.659 1.00 0.00 H new ATOM 0 HD22 LEU B 614 9.623 -11.584 3.652 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.333 -11.634 3.161 1.00 0.00 H new ATOM 1473 N GLN B 615 7.711 -8.776 4.460 1.00 0.00 N ATOM 1474 CA GLN B 615 6.501 -9.108 5.203 1.00 0.00 C ATOM 1475 C GLN B 615 5.362 -9.467 4.254 1.00 0.00 C ATOM 1476 O GLN B 615 4.415 -10.153 4.638 1.00 0.00 O ATOM 1477 CB GLN B 615 6.088 -7.937 6.096 1.00 0.00 C ATOM 1478 CG GLN B 615 7.237 -7.351 6.900 1.00 0.00 C ATOM 1479 CD GLN B 615 6.819 -6.935 8.297 1.00 0.00 C ATOM 1480 OE1 GLN B 615 5.924 -7.534 8.894 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.466 -5.904 8.826 1.00 0.00 N ATOM 0 H GLN B 615 8.073 -7.839 4.640 1.00 0.00 H new ATOM 0 HA GLN B 615 6.715 -9.974 5.829 1.00 0.00 H new ATOM 0 HB2 GLN B 615 5.653 -7.154 5.476 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.309 -8.271 6.781 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.039 -8.086 6.969 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.641 -6.486 6.373 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.201 -5.437 8.296 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.228 -5.579 9.763 1.00 0.00 H new ATOM 1490 N ALA B 616 5.460 -8.997 3.015 1.00 0.00 N ATOM 1491 CA ALA B 616 4.438 -9.270 2.012 1.00 0.00 C ATOM 1492 C ALA B 616 4.629 -10.652 1.396 1.00 0.00 C ATOM 1493 O ALA B 616 3.856 -11.070 0.533 1.00 0.00 O ATOM 1494 CB ALA B 616 4.462 -8.200 0.930 1.00 0.00 C ATOM 0 H ALA B 616 6.236 -8.426 2.682 1.00 0.00 H new ATOM 0 HA ALA B 616 3.466 -9.252 2.505 1.00 0.00 H new ATOM 0 HB1 ALA B 616 3.694 -8.416 0.187 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.270 -7.225 1.378 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.440 -8.191 0.448 1.00 0.00 H new