USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=9 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 596 MET CE :methyl 170:sc=-0.00794 (180deg=-0.191) USER MOD Set 1.2: B 602 SER OG : rot 180:sc= -0.263 USER MOD Set 1.3: B 606 LYS NZ :NH3+ 180:sc= -0.257 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 81 HIS : no HD1:sc= 0.0615 K(o=0.061,f=-1.2) USER MOD Single : B 556 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : B 558 GLN : amide:sc= -0.0917 X(o=-0.092,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.8!) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= -0.993 X(o=-0.99,f=-0.74) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.16) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ -166:sc= -0.0034 (180deg=-0.0782) USER MOD Single : B 582 THR OG1 : rot 64:sc= 1.25 USER MOD Single : B 584 MET CE :methyl 154:sc= -0.641 (180deg=-2.44) USER MOD Single : B 590 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.9!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 615 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.856 -2.410 -6.010 1.00 0.00 N ATOM 68 CA VAL A 77 8.677 -3.838 -5.779 1.00 0.00 C ATOM 69 C VAL A 77 10.009 -4.577 -5.846 1.00 0.00 C ATOM 70 O VAL A 77 10.321 -5.260 -6.822 1.00 0.00 O ATOM 71 CB VAL A 77 7.709 -4.455 -6.806 1.00 0.00 C ATOM 72 CG1 VAL A 77 8.159 -4.138 -8.223 1.00 0.00 C ATOM 73 CG2 VAL A 77 7.598 -5.958 -6.596 1.00 0.00 C ATOM 0 HA VAL A 77 8.254 -3.947 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 77 6.722 -4.016 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.462 -4.582 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.182 -3.057 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.156 -4.547 -8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.910 -6.378 -7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.580 -6.416 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.224 -6.158 -5.592 1.00 0.00 H new ATOM 83 N PRO A 78 10.816 -4.438 -4.784 1.00 0.00 N ATOM 84 CA PRO A 78 12.128 -5.086 -4.697 1.00 0.00 C ATOM 85 C PRO A 78 12.019 -6.599 -4.540 1.00 0.00 C ATOM 86 O PRO A 78 10.976 -7.117 -4.145 1.00 0.00 O ATOM 87 CB PRO A 78 12.749 -4.462 -3.444 1.00 0.00 C ATOM 88 CG PRO A 78 11.586 -4.040 -2.615 1.00 0.00 C ATOM 89 CD PRO A 78 10.509 -3.640 -3.585 1.00 0.00 C ATOM 0 HA PRO A 78 12.717 -4.936 -5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.374 -5.180 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.383 -3.613 -3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.250 -4.853 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.853 -3.208 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.515 -3.864 -3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.535 -2.571 -3.796 1.00 0.00 H new ATOM 97 N ASN A 79 13.103 -7.302 -4.852 1.00 0.00 N ATOM 98 CA ASN A 79 13.128 -8.756 -4.746 1.00 0.00 C ATOM 99 C ASN A 79 13.851 -9.196 -3.476 1.00 0.00 C ATOM 100 O ASN A 79 15.080 -9.237 -3.431 1.00 0.00 O ATOM 101 CB ASN A 79 13.810 -9.366 -5.972 1.00 0.00 C ATOM 102 CG ASN A 79 12.838 -9.618 -7.109 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.034 -8.753 -7.455 1.00 0.00 O ATOM 104 ND2 ASN A 79 12.910 -10.808 -7.695 1.00 0.00 N ATOM 0 H ASN A 79 13.976 -6.888 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 79 12.098 -9.110 -4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.600 -8.698 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.286 -10.305 -5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.282 -11.036 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.593 -11.494 -7.374 1.00 0.00 H new ATOM 111 N VAL A 80 13.078 -9.525 -2.446 1.00 0.00 N ATOM 112 CA VAL A 80 13.643 -9.964 -1.176 1.00 0.00 C ATOM 113 C VAL A 80 14.667 -11.074 -1.385 1.00 0.00 C ATOM 114 O VAL A 80 15.597 -11.233 -0.593 1.00 0.00 O ATOM 115 CB VAL A 80 12.547 -10.465 -0.217 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.597 -11.409 -0.938 1.00 0.00 C ATOM 117 CG2 VAL A 80 13.169 -11.145 0.994 1.00 0.00 C ATOM 0 H VAL A 80 12.059 -9.496 -2.466 1.00 0.00 H new ATOM 0 HA VAL A 80 14.135 -9.098 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 80 11.973 -9.606 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.830 -11.753 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.126 -10.886 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.154 -12.266 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.380 -11.493 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.768 -11.995 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.805 -10.435 1.523 1.00 0.00 H new ATOM 127 N HIS A 81 14.491 -11.841 -2.456 1.00 0.00 N ATOM 128 CA HIS A 81 15.400 -12.937 -2.770 1.00 0.00 C ATOM 129 C HIS A 81 16.697 -12.410 -3.377 1.00 0.00 C ATOM 130 O HIS A 81 17.057 -12.764 -4.499 1.00 0.00 O ATOM 131 CB HIS A 81 14.735 -13.920 -3.734 1.00 0.00 C ATOM 132 CG HIS A 81 13.325 -14.262 -3.362 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.242 -13.490 -3.727 1.00 0.00 N ATOM 134 CD2 HIS A 81 12.824 -15.302 -2.656 1.00 0.00 C ATOM 135 CE1 HIS A 81 11.136 -14.039 -3.258 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.461 -15.140 -2.605 1.00 0.00 N ATOM 0 H HIS A 81 13.727 -11.724 -3.121 1.00 0.00 H new ATOM 0 HA HIS A 81 15.638 -13.456 -1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.744 -13.495 -4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.325 -14.836 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.390 -16.109 -2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.136 -13.653 -3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.806 -15.768 -2.139 1.00 0.00 H new ATOM 144 N ALA A 82 17.393 -11.561 -2.628 1.00 0.00 N ATOM 145 CA ALA A 82 18.650 -10.986 -3.092 1.00 0.00 C ATOM 146 C ALA A 82 19.836 -11.583 -2.343 1.00 0.00 C ATOM 147 O ALA A 82 19.694 -12.571 -1.622 1.00 0.00 O ATOM 148 CB ALA A 82 18.629 -9.473 -2.931 1.00 0.00 C ATOM 0 H ALA A 82 17.108 -11.256 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 82 18.763 -11.227 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.574 -9.057 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.809 -9.056 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.489 -9.221 -1.880 1.00 0.00 H new ATOM 154 N ALA A 83 21.006 -10.978 -2.518 1.00 0.00 N ATOM 155 CA ALA A 83 22.217 -11.450 -1.858 1.00 0.00 C ATOM 156 C ALA A 83 23.182 -10.299 -1.594 1.00 0.00 C ATOM 157 O ALA A 83 22.992 -9.191 -2.094 1.00 0.00 O ATOM 158 CB ALA A 83 22.891 -12.525 -2.697 1.00 0.00 C ATOM 0 H ALA A 83 21.141 -10.160 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 83 21.934 -11.880 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.794 -12.868 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.208 -13.364 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 83 23.154 -12.114 -3.672 1.00 0.00 H new ATOM 164 N GLU A 84 24.218 -10.570 -0.805 1.00 0.00 N ATOM 165 CA GLU A 84 25.211 -9.555 -0.475 1.00 0.00 C ATOM 166 C GLU A 84 25.745 -8.885 -1.737 1.00 0.00 C ATOM 167 O GLU A 84 26.283 -9.547 -2.625 1.00 0.00 O ATOM 168 CB GLU A 84 26.366 -10.178 0.312 1.00 0.00 C ATOM 169 CG GLU A 84 25.926 -10.884 1.584 1.00 0.00 C ATOM 170 CD GLU A 84 27.002 -11.788 2.152 1.00 0.00 C ATOM 171 OE1 GLU A 84 27.440 -12.712 1.437 1.00 0.00 O ATOM 172 OE2 GLU A 84 27.406 -11.570 3.314 1.00 0.00 O ATOM 0 H GLU A 84 24.391 -11.483 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 84 24.727 -8.797 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.887 -10.891 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.082 -9.397 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.650 -10.140 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.033 -11.474 1.377 1.00 0.00 H new ATOM 179 N PHE A 85 25.592 -7.567 -1.810 1.00 0.00 N ATOM 180 CA PHE A 85 26.057 -6.806 -2.964 1.00 0.00 C ATOM 181 C PHE A 85 27.517 -7.123 -3.273 1.00 0.00 C ATOM 182 O PHE A 85 27.944 -7.075 -4.426 1.00 0.00 O ATOM 183 CB PHE A 85 25.892 -5.306 -2.712 1.00 0.00 C ATOM 184 CG PHE A 85 26.993 -4.712 -1.881 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.894 -4.678 -0.499 1.00 0.00 C ATOM 186 CD2 PHE A 85 28.127 -4.190 -2.481 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.906 -4.132 0.268 1.00 0.00 C ATOM 188 CE2 PHE A 85 29.142 -3.643 -1.719 1.00 0.00 C ATOM 189 CZ PHE A 85 29.032 -3.615 -0.342 1.00 0.00 C ATOM 0 H PHE A 85 25.150 -7.004 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 85 25.452 -7.092 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.851 -4.787 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.938 -5.132 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.017 -5.082 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.219 -4.211 -3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.816 -4.110 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 85 30.020 -3.238 -2.199 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.825 -3.190 0.256 1.00 0.00 H new ATOM 537 N GLN B 556 30.737 -2.026 -12.681 1.00 0.00 N ATOM 538 CA GLN B 556 31.406 -3.169 -12.072 1.00 0.00 C ATOM 539 C GLN B 556 32.151 -2.754 -10.808 1.00 0.00 C ATOM 540 O GLN B 556 32.370 -3.566 -9.910 1.00 0.00 O ATOM 541 CB GLN B 556 32.379 -3.807 -13.065 1.00 0.00 C ATOM 542 CG GLN B 556 31.736 -4.855 -13.959 1.00 0.00 C ATOM 543 CD GLN B 556 31.181 -4.267 -15.241 1.00 0.00 C ATOM 544 OE1 GLN B 556 29.979 -4.337 -15.501 1.00 0.00 O ATOM 545 NE2 GLN B 556 32.055 -3.683 -16.052 1.00 0.00 N ATOM 0 HA GLN B 556 30.645 -3.900 -11.800 1.00 0.00 H new ATOM 0 HB2 GLN B 556 32.813 -3.026 -13.689 1.00 0.00 H new ATOM 0 HB3 GLN B 556 33.199 -4.266 -12.513 1.00 0.00 H new ATOM 0 HG2 GLN B 556 32.473 -5.620 -14.204 1.00 0.00 H new ATOM 0 HG3 GLN B 556 30.933 -5.350 -13.413 1.00 0.00 H new ATOM 0 HE21 GLN B 556 33.042 -3.647 -15.797 1.00 0.00 H new ATOM 0 HE22 GLN B 556 31.739 -3.270 -16.930 1.00 0.00 H new ATOM 554 N GLU B 557 32.539 -1.483 -10.746 1.00 0.00 N ATOM 555 CA GLU B 557 33.261 -0.961 -9.591 1.00 0.00 C ATOM 556 C GLU B 557 32.353 -0.086 -8.732 1.00 0.00 C ATOM 557 O GLU B 557 32.284 -0.253 -7.515 1.00 0.00 O ATOM 558 CB GLU B 557 34.481 -0.158 -10.046 1.00 0.00 C ATOM 559 CG GLU B 557 35.329 -0.874 -11.084 1.00 0.00 C ATOM 560 CD GLU B 557 36.476 -0.020 -11.590 1.00 0.00 C ATOM 561 OE1 GLU B 557 37.354 0.337 -10.777 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.495 0.290 -12.800 1.00 0.00 O ATOM 0 H GLU B 557 32.366 -0.797 -11.481 1.00 0.00 H new ATOM 0 HA GLU B 557 33.595 -1.807 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.146 0.794 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU B 557 35.100 0.070 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.727 -1.792 -10.652 1.00 0.00 H new ATOM 0 HG3 GLU B 557 34.699 -1.165 -11.925 1.00 0.00 H new ATOM 569 N GLN B 558 31.659 0.848 -9.376 1.00 0.00 N ATOM 570 CA GLN B 558 30.757 1.750 -8.671 1.00 0.00 C ATOM 571 C GLN B 558 29.783 0.971 -7.793 1.00 0.00 C ATOM 572 O GLN B 558 29.348 1.455 -6.748 1.00 0.00 O ATOM 573 CB GLN B 558 29.983 2.614 -9.669 1.00 0.00 C ATOM 574 CG GLN B 558 30.841 3.663 -10.358 1.00 0.00 C ATOM 575 CD GLN B 558 30.015 4.711 -11.078 1.00 0.00 C ATOM 576 OE1 GLN B 558 30.285 5.908 -10.976 1.00 0.00 O ATOM 577 NE2 GLN B 558 29.002 4.265 -11.812 1.00 0.00 N ATOM 0 H GLN B 558 31.705 0.999 -10.384 1.00 0.00 H new ATOM 0 HA GLN B 558 31.358 2.396 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.535 1.969 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN B 558 29.164 3.111 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN B 558 31.476 4.151 -9.618 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.503 3.174 -11.072 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.815 3.264 -11.868 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.411 4.924 -12.320 1.00 0.00 H new ATOM 586 N LYS B 559 29.444 -0.239 -8.225 1.00 0.00 N ATOM 587 CA LYS B 559 28.522 -1.088 -7.479 1.00 0.00 C ATOM 588 C LYS B 559 29.049 -1.359 -6.073 1.00 0.00 C ATOM 589 O LYS B 559 28.439 -0.955 -5.084 1.00 0.00 O ATOM 590 CB LYS B 559 28.303 -2.410 -8.217 1.00 0.00 C ATOM 591 CG LYS B 559 27.345 -3.352 -7.507 1.00 0.00 C ATOM 592 CD LYS B 559 27.486 -4.777 -8.014 1.00 0.00 C ATOM 593 CE LYS B 559 26.890 -4.936 -9.404 1.00 0.00 C ATOM 594 NZ LYS B 559 27.077 -6.315 -9.934 1.00 0.00 N ATOM 0 H LYS B 559 29.794 -0.654 -9.088 1.00 0.00 H new ATOM 0 HA LYS B 559 27.570 -0.564 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS B 559 27.919 -2.200 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS B 559 29.264 -2.909 -8.343 1.00 0.00 H new ATOM 0 HG2 LYS B 559 27.536 -3.326 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS B 559 26.320 -3.011 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS B 559 28.540 -5.054 -8.035 1.00 0.00 H new ATOM 0 HD3 LYS B 559 26.991 -5.460 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS B 559 25.826 -4.701 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS B 559 27.355 -4.220 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 26.657 -6.382 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 28.093 -6.531 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.612 -6.996 -9.301 1.00 0.00 H new ATOM 608 N GLN B 560 30.185 -2.045 -5.994 1.00 0.00 N ATOM 609 CA GLN B 560 30.793 -2.369 -4.709 1.00 0.00 C ATOM 610 C GLN B 560 30.994 -1.112 -3.869 1.00 0.00 C ATOM 611 O GLN B 560 30.865 -1.144 -2.646 1.00 0.00 O ATOM 612 CB GLN B 560 32.134 -3.075 -4.919 1.00 0.00 C ATOM 613 CG GLN B 560 32.066 -4.226 -5.910 1.00 0.00 C ATOM 614 CD GLN B 560 30.903 -5.161 -5.641 1.00 0.00 C ATOM 615 OE1 GLN B 560 30.445 -5.289 -4.505 1.00 0.00 O ATOM 616 NE2 GLN B 560 30.418 -5.819 -6.687 1.00 0.00 N ATOM 0 H GLN B 560 30.702 -2.387 -6.804 1.00 0.00 H new ATOM 0 HA GLN B 560 30.118 -3.037 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.867 -2.348 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.491 -3.452 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN B 560 31.979 -3.826 -6.920 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.998 -4.790 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN B 560 30.829 -5.682 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN B 560 29.635 -6.461 -6.567 1.00 0.00 H new ATOM 625 N MET B 561 31.310 -0.006 -4.535 1.00 0.00 N ATOM 626 CA MET B 561 31.528 1.262 -3.849 1.00 0.00 C ATOM 627 C MET B 561 30.251 1.734 -3.160 1.00 0.00 C ATOM 628 O MET B 561 30.217 1.904 -1.941 1.00 0.00 O ATOM 629 CB MET B 561 32.011 2.325 -4.837 1.00 0.00 C ATOM 630 CG MET B 561 33.324 1.972 -5.517 1.00 0.00 C ATOM 631 SD MET B 561 34.498 3.340 -5.513 1.00 0.00 S ATOM 632 CE MET B 561 34.818 3.517 -7.266 1.00 0.00 C ATOM 0 H MET B 561 31.421 0.038 -5.548 1.00 0.00 H new ATOM 0 HA MET B 561 32.294 1.108 -3.089 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.246 2.475 -5.599 1.00 0.00 H new ATOM 0 HB3 MET B 561 32.127 3.272 -4.311 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.770 1.114 -5.014 1.00 0.00 H new ATOM 0 HG3 MET B 561 33.126 1.671 -6.546 1.00 0.00 H new ATOM 0 HE1 MET B 561 35.529 4.327 -7.426 1.00 0.00 H new ATOM 0 HE2 MET B 561 35.233 2.588 -7.656 1.00 0.00 H new ATOM 0 HE3 MET B 561 33.887 3.744 -7.785 1.00 0.00 H new ATOM 642 N LEU B 562 29.203 1.945 -3.948 1.00 0.00 N ATOM 643 CA LEU B 562 27.923 2.397 -3.415 1.00 0.00 C ATOM 644 C LEU B 562 27.471 1.511 -2.258 1.00 0.00 C ATOM 645 O LEU B 562 27.127 2.003 -1.184 1.00 0.00 O ATOM 646 CB LEU B 562 26.860 2.399 -4.515 1.00 0.00 C ATOM 647 CG LEU B 562 27.086 3.383 -5.664 1.00 0.00 C ATOM 648 CD1 LEU B 562 26.111 3.110 -6.799 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.950 4.816 -5.174 1.00 0.00 C ATOM 0 H LEU B 562 29.214 1.810 -4.959 1.00 0.00 H new ATOM 0 HA LEU B 562 28.053 3.413 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.795 1.394 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.894 2.619 -4.059 1.00 0.00 H new ATOM 0 HG LEU B 562 28.099 3.245 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU B 562 26.286 3.819 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU B 562 26.258 2.095 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU B 562 25.089 3.220 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU B 562 27.114 5.502 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.949 4.969 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.689 5.006 -4.396 1.00 0.00 H new ATOM 661 N GLY B 563 27.477 0.201 -2.485 1.00 0.00 N ATOM 662 CA GLY B 563 27.068 -0.733 -1.452 1.00 0.00 C ATOM 663 C GLY B 563 27.987 -0.703 -0.247 1.00 0.00 C ATOM 664 O GLY B 563 27.535 -0.836 0.889 1.00 0.00 O ATOM 0 H GLY B 563 27.758 -0.230 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY B 563 26.052 -0.498 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY B 563 27.048 -1.741 -1.865 1.00 0.00 H new ATOM 668 N GLU B 564 29.282 -0.531 -0.496 1.00 0.00 N ATOM 669 CA GLU B 564 30.266 -0.488 0.578 1.00 0.00 C ATOM 670 C GLU B 564 29.955 0.642 1.556 1.00 0.00 C ATOM 671 O GLU B 564 29.964 0.446 2.771 1.00 0.00 O ATOM 672 CB GLU B 564 31.673 -0.307 0.004 1.00 0.00 C ATOM 673 CG GLU B 564 32.408 -1.617 -0.230 1.00 0.00 C ATOM 674 CD GLU B 564 32.977 -2.203 1.048 1.00 0.00 C ATOM 675 OE1 GLU B 564 32.182 -2.633 1.909 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.218 -2.230 1.186 1.00 0.00 O ATOM 0 H GLU B 564 29.673 -0.419 -1.431 1.00 0.00 H new ATOM 0 HA GLU B 564 30.220 -1.435 1.116 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.605 0.235 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.258 0.311 0.685 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.726 -2.336 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU B 564 33.217 -1.453 -0.942 1.00 0.00 H new ATOM 683 N ARG B 565 29.682 1.825 1.016 1.00 0.00 N ATOM 684 CA ARG B 565 29.370 2.987 1.839 1.00 0.00 C ATOM 685 C ARG B 565 27.950 2.898 2.391 1.00 0.00 C ATOM 686 O ARG B 565 27.653 3.433 3.459 1.00 0.00 O ATOM 687 CB ARG B 565 29.533 4.273 1.027 1.00 0.00 C ATOM 688 CG ARG B 565 29.884 5.487 1.872 1.00 0.00 C ATOM 689 CD ARG B 565 31.373 5.788 1.826 1.00 0.00 C ATOM 690 NE ARG B 565 32.119 5.017 2.817 1.00 0.00 N ATOM 691 CZ ARG B 565 33.443 4.919 2.828 1.00 0.00 C ATOM 692 NH1 ARG B 565 34.165 5.540 1.905 1.00 0.00 N ATOM 693 NH2 ARG B 565 34.049 4.199 3.764 1.00 0.00 N ATOM 0 H ARG B 565 29.671 2.004 0.012 1.00 0.00 H new ATOM 0 HA ARG B 565 30.067 3.004 2.677 1.00 0.00 H new ATOM 0 HB2 ARG B 565 30.312 4.124 0.279 1.00 0.00 H new ATOM 0 HB3 ARG B 565 28.607 4.472 0.488 1.00 0.00 H new ATOM 0 HG2 ARG B 565 29.326 6.353 1.516 1.00 0.00 H new ATOM 0 HG3 ARG B 565 29.579 5.314 2.904 1.00 0.00 H new ATOM 0 HD2 ARG B 565 31.757 5.566 0.830 1.00 0.00 H new ATOM 0 HD3 ARG B 565 31.533 6.852 1.999 1.00 0.00 H new ATOM 0 HE ARG B 565 31.594 4.527 3.541 1.00 0.00 H new ATOM 0 HH11 ARG B 565 33.703 6.095 1.184 1.00 0.00 H new ATOM 0 HH12 ARG B 565 35.182 5.463 1.916 1.00 0.00 H new ATOM 0 HH21 ARG B 565 33.497 3.720 4.476 1.00 0.00 H new ATOM 0 HH22 ARG B 565 35.066 4.125 3.771 1.00 0.00 H new ATOM 707 N LEU B 566 27.077 2.219 1.655 1.00 0.00 N ATOM 708 CA LEU B 566 25.688 2.059 2.069 1.00 0.00 C ATOM 709 C LEU B 566 25.568 1.030 3.189 1.00 0.00 C ATOM 710 O LEU B 566 24.619 1.057 3.972 1.00 0.00 O ATOM 711 CB LEU B 566 24.825 1.637 0.879 1.00 0.00 C ATOM 712 CG LEU B 566 24.521 2.727 -0.150 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.238 2.112 -1.512 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.346 3.578 0.307 1.00 0.00 C ATOM 0 H LEU B 566 27.307 1.770 0.768 1.00 0.00 H new ATOM 0 HA LEU B 566 25.334 3.020 2.444 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.323 0.813 0.369 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.879 1.251 1.260 1.00 0.00 H new ATOM 0 HG LEU B 566 25.397 3.370 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU B 566 24.024 2.903 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU B 566 25.109 1.546 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.378 1.446 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.144 4.348 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.465 2.948 0.426 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.587 4.049 1.260 1.00 0.00 H new ATOM 726 N PHE B 567 26.538 0.124 3.259 1.00 0.00 N ATOM 727 CA PHE B 567 26.542 -0.914 4.283 1.00 0.00 C ATOM 728 C PHE B 567 26.415 -0.304 5.676 1.00 0.00 C ATOM 729 O PHE B 567 25.496 -0.612 6.435 1.00 0.00 O ATOM 730 CB PHE B 567 27.825 -1.744 4.193 1.00 0.00 C ATOM 731 CG PHE B 567 28.225 -2.372 5.497 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.341 -3.182 6.192 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.486 -2.153 6.028 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.706 -3.762 7.392 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.857 -2.731 7.228 1.00 0.00 C ATOM 736 CZ PHE B 567 28.966 -3.535 7.911 1.00 0.00 C ATOM 0 H PHE B 567 27.331 0.088 2.619 1.00 0.00 H new ATOM 0 HA PHE B 567 25.684 -1.564 4.110 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.690 -2.528 3.448 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.637 -1.107 3.842 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.355 -3.362 5.791 1.00 0.00 H new ATOM 0 HD2 PHE B 567 30.187 -1.524 5.499 1.00 0.00 H new ATOM 0 HE1 PHE B 567 27.008 -4.392 7.923 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.843 -2.554 7.631 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.254 -3.986 8.849 1.00 0.00 H new ATOM 746 N PRO B 568 27.360 0.583 6.021 1.00 0.00 N ATOM 747 CA PRO B 568 27.377 1.256 7.324 1.00 0.00 C ATOM 748 C PRO B 568 26.241 2.262 7.471 1.00 0.00 C ATOM 749 O PRO B 568 25.732 2.483 8.571 1.00 0.00 O ATOM 750 CB PRO B 568 28.730 1.972 7.336 1.00 0.00 C ATOM 751 CG PRO B 568 29.062 2.178 5.898 1.00 0.00 C ATOM 752 CD PRO B 568 28.485 0.998 5.166 1.00 0.00 C ATOM 0 HA PRO B 568 27.244 0.554 8.147 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.671 2.921 7.869 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.491 1.373 7.836 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.637 3.112 5.529 1.00 0.00 H new ATOM 0 HG3 PRO B 568 30.140 2.239 5.751 1.00 0.00 H new ATOM 0 HD2 PRO B 568 28.150 1.271 4.165 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.218 0.199 5.050 1.00 0.00 H new ATOM 760 N LEU B 569 25.845 2.868 6.357 1.00 0.00 N ATOM 761 CA LEU B 569 24.768 3.851 6.363 1.00 0.00 C ATOM 762 C LEU B 569 23.476 3.240 6.896 1.00 0.00 C ATOM 763 O LEU B 569 22.917 3.713 7.887 1.00 0.00 O ATOM 764 CB LEU B 569 24.542 4.397 4.952 1.00 0.00 C ATOM 765 CG LEU B 569 25.553 5.435 4.464 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.403 5.665 2.968 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.387 6.741 5.225 1.00 0.00 C ATOM 0 H LEU B 569 26.254 2.696 5.438 1.00 0.00 H new ATOM 0 HA LEU B 569 25.060 4.669 7.021 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.546 3.559 4.255 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.547 4.841 4.911 1.00 0.00 H new ATOM 0 HG LEU B 569 26.556 5.053 4.653 1.00 0.00 H new ATOM 0 HD11 LEU B 569 26.131 6.407 2.639 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.574 4.729 2.437 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.396 6.025 2.754 1.00 0.00 H new ATOM 0 HD21 LEU B 569 26.115 7.468 4.864 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.380 7.128 5.069 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.547 6.565 6.289 1.00 0.00 H new ATOM 779 N ILE B 570 23.009 2.186 6.236 1.00 0.00 N ATOM 780 CA ILE B 570 21.785 1.509 6.646 1.00 0.00 C ATOM 781 C ILE B 570 22.020 0.652 7.886 1.00 0.00 C ATOM 782 O ILE B 570 21.077 0.283 8.584 1.00 0.00 O ATOM 783 CB ILE B 570 21.230 0.619 5.519 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.989 1.448 4.256 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.944 -0.061 5.966 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.330 0.715 2.977 1.00 0.00 C ATOM 0 H ILE B 570 23.460 1.782 5.415 1.00 0.00 H new ATOM 0 HA ILE B 570 21.056 2.286 6.877 1.00 0.00 H new ATOM 0 HB ILE B 570 21.965 -0.152 5.290 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.942 1.750 4.224 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.583 2.361 4.311 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.564 -0.687 5.159 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.145 -0.680 6.841 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.201 0.696 6.219 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.134 1.363 2.123 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.384 0.436 2.987 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.718 -0.183 2.898 1.00 0.00 H new ATOM 798 N GLN B 571 23.285 0.341 8.152 1.00 0.00 N ATOM 799 CA GLN B 571 23.644 -0.471 9.309 1.00 0.00 C ATOM 800 C GLN B 571 23.159 0.178 10.601 1.00 0.00 C ATOM 801 O GLN B 571 23.018 -0.488 11.626 1.00 0.00 O ATOM 802 CB GLN B 571 25.159 -0.676 9.364 1.00 0.00 C ATOM 803 CG GLN B 571 25.653 -1.199 10.703 1.00 0.00 C ATOM 804 CD GLN B 571 26.059 -0.088 11.650 1.00 0.00 C ATOM 805 OE1 GLN B 571 25.373 0.186 12.635 1.00 0.00 O ATOM 806 NE2 GLN B 571 27.180 0.561 11.357 1.00 0.00 N ATOM 0 H GLN B 571 24.077 0.639 7.583 1.00 0.00 H new ATOM 0 HA GLN B 571 23.157 -1.441 9.206 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.452 -1.374 8.580 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.654 0.271 9.148 1.00 0.00 H new ATOM 0 HG2 GLN B 571 24.869 -1.798 11.166 1.00 0.00 H new ATOM 0 HG3 GLN B 571 26.504 -1.860 10.539 1.00 0.00 H new ATOM 0 HE21 GLN B 571 27.718 0.301 10.530 1.00 0.00 H new ATOM 0 HE22 GLN B 571 27.503 1.319 11.958 1.00 0.00 H new ATOM 815 N ALA B 572 22.907 1.482 10.545 1.00 0.00 N ATOM 816 CA ALA B 572 22.438 2.221 11.710 1.00 0.00 C ATOM 817 C ALA B 572 20.917 2.170 11.816 1.00 0.00 C ATOM 818 O ALA B 572 20.341 2.585 12.821 1.00 0.00 O ATOM 819 CB ALA B 572 22.917 3.663 11.649 1.00 0.00 C ATOM 0 H ALA B 572 23.020 2.048 9.704 1.00 0.00 H new ATOM 0 HA ALA B 572 22.854 1.750 12.600 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.559 4.203 12.526 1.00 0.00 H new ATOM 0 HB2 ALA B 572 24.007 3.684 11.630 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.529 4.137 10.748 1.00 0.00 H new ATOM 825 N MET B 573 20.273 1.660 10.771 1.00 0.00 N ATOM 826 CA MET B 573 18.818 1.555 10.748 1.00 0.00 C ATOM 827 C MET B 573 18.379 0.094 10.744 1.00 0.00 C ATOM 828 O MET B 573 17.685 -0.357 11.656 1.00 0.00 O ATOM 829 CB MET B 573 18.254 2.273 9.520 1.00 0.00 C ATOM 830 CG MET B 573 18.870 3.641 9.280 1.00 0.00 C ATOM 831 SD MET B 573 17.799 4.725 8.315 1.00 0.00 S ATOM 832 CE MET B 573 18.679 4.769 6.755 1.00 0.00 C ATOM 0 H MET B 573 20.735 1.313 9.930 1.00 0.00 H new ATOM 0 HA MET B 573 18.429 2.030 11.649 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.416 1.651 8.640 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.176 2.385 9.638 1.00 0.00 H new ATOM 0 HG2 MET B 573 19.087 4.111 10.239 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.821 3.521 8.762 1.00 0.00 H new ATOM 0 HE1 MET B 573 18.139 5.402 6.051 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.679 5.172 6.913 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.755 3.759 6.351 1.00 0.00 H new ATOM 842 N HIS B 574 18.786 -0.640 9.714 1.00 0.00 N ATOM 843 CA HIS B 574 18.434 -2.050 9.593 1.00 0.00 C ATOM 844 C HIS B 574 19.671 -2.896 9.305 1.00 0.00 C ATOM 845 O HIS B 574 19.871 -3.389 8.195 1.00 0.00 O ATOM 846 CB HIS B 574 17.399 -2.245 8.485 1.00 0.00 C ATOM 847 CG HIS B 574 16.135 -1.472 8.702 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.784 -0.375 7.945 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.135 -1.644 9.598 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.624 0.095 8.366 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.208 -0.658 9.369 1.00 0.00 N ATOM 0 H HIS B 574 19.360 -0.282 8.951 1.00 0.00 H new ATOM 0 HA HIS B 574 18.006 -2.375 10.541 1.00 0.00 H new ATOM 0 HB2 HIS B 574 17.838 -1.947 7.533 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.158 -3.305 8.407 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.077 -2.414 10.353 1.00 0.00 H new ATOM 0 HE1 HIS B 574 14.104 0.950 7.960 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.340 -0.528 9.888 1.00 0.00 H new ATOM 859 N PRO B 575 20.521 -3.069 10.328 1.00 0.00 N ATOM 860 CA PRO B 575 21.753 -3.855 10.210 1.00 0.00 C ATOM 861 C PRO B 575 21.476 -5.347 10.060 1.00 0.00 C ATOM 862 O PRO B 575 22.341 -6.110 9.628 1.00 0.00 O ATOM 863 CB PRO B 575 22.480 -3.575 11.527 1.00 0.00 C ATOM 864 CG PRO B 575 21.400 -3.215 12.487 1.00 0.00 C ATOM 865 CD PRO B 575 20.346 -2.510 11.679 1.00 0.00 C ATOM 0 HA PRO B 575 22.327 -3.583 9.325 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.036 -4.449 11.866 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.199 -2.763 11.417 1.00 0.00 H new ATOM 0 HG2 PRO B 575 20.993 -4.104 12.968 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.781 -2.570 13.279 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.346 -2.703 12.067 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.488 -1.429 11.688 1.00 0.00 H new ATOM 873 N THR B 576 20.264 -5.758 10.419 1.00 0.00 N ATOM 874 CA THR B 576 19.873 -7.159 10.326 1.00 0.00 C ATOM 875 C THR B 576 20.075 -7.693 8.912 1.00 0.00 C ATOM 876 O THR B 576 20.530 -8.822 8.722 1.00 0.00 O ATOM 877 CB THR B 576 18.401 -7.360 10.733 1.00 0.00 C ATOM 878 OG1 THR B 576 18.168 -6.787 12.024 1.00 0.00 O ATOM 879 CG2 THR B 576 18.044 -8.839 10.758 1.00 0.00 C ATOM 0 H THR B 576 19.536 -5.140 10.777 1.00 0.00 H new ATOM 0 HA THR B 576 20.511 -7.712 11.015 1.00 0.00 H new ATOM 0 HB THR B 576 17.771 -6.862 9.995 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.230 -6.917 12.275 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.000 -8.956 11.048 1.00 0.00 H new ATOM 0 HG22 THR B 576 18.196 -9.267 9.767 1.00 0.00 H new ATOM 0 HG23 THR B 576 18.680 -9.355 11.477 1.00 0.00 H new ATOM 887 N LEU B 577 19.734 -6.875 7.922 1.00 0.00 N ATOM 888 CA LEU B 577 19.878 -7.265 6.524 1.00 0.00 C ATOM 889 C LEU B 577 20.341 -6.085 5.674 1.00 0.00 C ATOM 890 O LEU B 577 19.952 -5.953 4.515 1.00 0.00 O ATOM 891 CB LEU B 577 18.553 -7.807 5.985 1.00 0.00 C ATOM 892 CG LEU B 577 17.720 -8.635 6.964 1.00 0.00 C ATOM 893 CD1 LEU B 577 16.784 -7.739 7.760 1.00 0.00 C ATOM 894 CD2 LEU B 577 16.932 -9.705 6.221 1.00 0.00 C ATOM 0 H LEU B 577 19.356 -5.938 8.062 1.00 0.00 H new ATOM 0 HA LEU B 577 20.633 -8.049 6.468 1.00 0.00 H new ATOM 0 HB2 LEU B 577 17.949 -6.965 5.647 1.00 0.00 H new ATOM 0 HB3 LEU B 577 18.764 -8.420 5.109 1.00 0.00 H new ATOM 0 HG LEU B 577 18.398 -9.128 7.661 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.200 -8.346 8.451 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.368 -7.010 8.322 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.112 -7.217 7.078 1.00 0.00 H new ATOM 0 HD21 LEU B 577 16.345 -10.285 6.933 1.00 0.00 H new ATOM 0 HD22 LEU B 577 16.265 -9.231 5.501 1.00 0.00 H new ATOM 0 HD23 LEU B 577 17.622 -10.366 5.696 1.00 0.00 H new ATOM 906 N ALA B 578 21.175 -5.232 6.260 1.00 0.00 N ATOM 907 CA ALA B 578 21.694 -4.067 5.556 1.00 0.00 C ATOM 908 C ALA B 578 22.260 -4.455 4.194 1.00 0.00 C ATOM 909 O ALA B 578 21.835 -3.934 3.163 1.00 0.00 O ATOM 910 CB ALA B 578 22.759 -3.375 6.394 1.00 0.00 C ATOM 0 H ALA B 578 21.505 -5.326 7.220 1.00 0.00 H new ATOM 0 HA ALA B 578 20.868 -3.375 5.393 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.138 -2.506 5.856 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.325 -3.054 7.341 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.578 -4.068 6.586 1.00 0.00 H new ATOM 916 N GLY B 579 23.222 -5.372 4.197 1.00 0.00 N ATOM 917 CA GLY B 579 23.830 -5.814 2.956 1.00 0.00 C ATOM 918 C GLY B 579 22.806 -6.297 1.948 1.00 0.00 C ATOM 919 O GLY B 579 22.911 -6.006 0.756 1.00 0.00 O ATOM 0 H GLY B 579 23.591 -5.817 5.037 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.402 -4.994 2.523 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.535 -6.618 3.167 1.00 0.00 H new ATOM 923 N LYS B 580 21.814 -7.040 2.425 1.00 0.00 N ATOM 924 CA LYS B 580 20.766 -7.566 1.559 1.00 0.00 C ATOM 925 C LYS B 580 20.037 -6.437 0.838 1.00 0.00 C ATOM 926 O LYS B 580 20.045 -6.366 -0.391 1.00 0.00 O ATOM 927 CB LYS B 580 19.768 -8.393 2.374 1.00 0.00 C ATOM 928 CG LYS B 580 18.859 -9.261 1.522 1.00 0.00 C ATOM 929 CD LYS B 580 17.522 -9.505 2.203 1.00 0.00 C ATOM 930 CE LYS B 580 17.563 -10.744 3.084 1.00 0.00 C ATOM 931 NZ LYS B 580 17.546 -11.997 2.279 1.00 0.00 N ATOM 0 H LYS B 580 21.714 -7.292 3.408 1.00 0.00 H new ATOM 0 HA LYS B 580 21.235 -8.207 0.812 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.317 -9.029 3.068 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.156 -7.720 2.974 1.00 0.00 H new ATOM 0 HG2 LYS B 580 18.695 -8.780 0.558 1.00 0.00 H new ATOM 0 HG3 LYS B 580 19.347 -10.215 1.324 1.00 0.00 H new ATOM 0 HD2 LYS B 580 17.256 -8.637 2.806 1.00 0.00 H new ATOM 0 HD3 LYS B 580 16.744 -9.619 1.448 1.00 0.00 H new ATOM 0 HE2 LYS B 580 18.461 -10.721 3.702 1.00 0.00 H new ATOM 0 HE3 LYS B 580 16.710 -10.736 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 17.337 -12.805 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 16.814 -11.927 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 18.475 -12.135 1.832 1.00 0.00 H new ATOM 945 N ILE B 581 19.411 -5.555 1.610 1.00 0.00 N ATOM 946 CA ILE B 581 18.680 -4.428 1.045 1.00 0.00 C ATOM 947 C ILE B 581 19.616 -3.490 0.290 1.00 0.00 C ATOM 948 O ILE B 581 19.185 -2.736 -0.583 1.00 0.00 O ATOM 949 CB ILE B 581 17.943 -3.630 2.137 1.00 0.00 C ATOM 950 CG1 ILE B 581 18.928 -3.162 3.210 1.00 0.00 C ATOM 951 CG2 ILE B 581 16.839 -4.475 2.755 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.256 -2.667 4.472 1.00 0.00 C ATOM 0 H ILE B 581 19.396 -5.599 2.629 1.00 0.00 H new ATOM 0 HA ILE B 581 17.947 -4.842 0.353 1.00 0.00 H new ATOM 0 HB ILE B 581 17.489 -2.751 1.680 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.596 -3.985 3.463 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.547 -2.364 2.800 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.327 -3.898 3.525 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.126 -4.763 1.983 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.272 -5.370 3.201 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.015 -2.352 5.188 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.609 -1.823 4.233 1.00 0.00 H new ATOM 0 HD13 ILE B 581 17.659 -3.470 4.905 1.00 0.00 H new ATOM 964 N THR B 582 20.900 -3.542 0.631 1.00 0.00 N ATOM 965 CA THR B 582 21.897 -2.698 -0.015 1.00 0.00 C ATOM 966 C THR B 582 22.110 -3.111 -1.467 1.00 0.00 C ATOM 967 O THR B 582 22.091 -2.274 -2.369 1.00 0.00 O ATOM 968 CB THR B 582 23.246 -2.756 0.726 1.00 0.00 C ATOM 969 OG1 THR B 582 23.148 -2.068 1.978 1.00 0.00 O ATOM 970 CG2 THR B 582 24.352 -2.135 -0.114 1.00 0.00 C ATOM 0 H THR B 582 21.274 -4.160 1.351 1.00 0.00 H new ATOM 0 HA THR B 582 21.516 -1.677 0.017 1.00 0.00 H new ATOM 0 HB THR B 582 23.492 -3.803 0.906 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.502 -2.527 2.554 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.295 -2.187 0.430 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.444 -2.679 -1.054 1.00 0.00 H new ATOM 0 HG23 THR B 582 24.110 -1.093 -0.321 1.00 0.00 H new ATOM 978 N GLY B 583 22.310 -4.407 -1.686 1.00 0.00 N ATOM 979 CA GLY B 583 22.523 -4.907 -3.032 1.00 0.00 C ATOM 980 C GLY B 583 21.373 -4.576 -3.962 1.00 0.00 C ATOM 981 O GLY B 583 21.586 -4.211 -5.117 1.00 0.00 O ATOM 0 H GLY B 583 22.328 -5.119 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.444 -4.483 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.659 -5.988 -2.998 1.00 0.00 H new ATOM 985 N MET B 584 20.150 -4.705 -3.457 1.00 0.00 N ATOM 986 CA MET B 584 18.961 -4.416 -4.252 1.00 0.00 C ATOM 987 C MET B 584 18.829 -2.919 -4.509 1.00 0.00 C ATOM 988 O MET B 584 18.625 -2.489 -5.645 1.00 0.00 O ATOM 989 CB MET B 584 17.709 -4.936 -3.543 1.00 0.00 C ATOM 990 CG MET B 584 17.784 -6.411 -3.181 1.00 0.00 C ATOM 991 SD MET B 584 17.183 -6.748 -1.515 1.00 0.00 S ATOM 992 CE MET B 584 15.422 -6.499 -1.734 1.00 0.00 C ATOM 0 H MET B 584 19.956 -5.007 -2.502 1.00 0.00 H new ATOM 0 HA MET B 584 19.064 -4.923 -5.211 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.548 -4.355 -2.635 1.00 0.00 H new ATOM 0 HB3 MET B 584 16.843 -4.771 -4.184 1.00 0.00 H new ATOM 0 HG2 MET B 584 17.199 -6.987 -3.898 1.00 0.00 H new ATOM 0 HG3 MET B 584 18.816 -6.750 -3.266 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.877 -7.084 -0.993 1.00 0.00 H new ATOM 0 HE2 MET B 584 15.185 -5.443 -1.608 1.00 0.00 H new ATOM 0 HE3 MET B 584 15.131 -6.819 -2.735 1.00 0.00 H new ATOM 1002 N LEU B 585 18.946 -2.128 -3.448 1.00 0.00 N ATOM 1003 CA LEU B 585 18.840 -0.678 -3.559 1.00 0.00 C ATOM 1004 C LEU B 585 19.844 -0.134 -4.570 1.00 0.00 C ATOM 1005 O LEU B 585 19.472 0.555 -5.521 1.00 0.00 O ATOM 1006 CB LEU B 585 19.068 -0.024 -2.195 1.00 0.00 C ATOM 1007 CG LEU B 585 17.810 0.364 -1.417 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.952 1.319 -2.232 1.00 0.00 C ATOM 1009 CD2 LEU B 585 17.015 -0.877 -1.036 1.00 0.00 C ATOM 0 H LEU B 585 19.114 -2.467 -2.501 1.00 0.00 H new ATOM 0 HA LEU B 585 17.835 -0.438 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.654 -0.707 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.672 0.872 -2.341 1.00 0.00 H new ATOM 0 HG LEU B 585 18.114 0.872 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU B 585 16.061 1.584 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.522 2.221 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.657 0.837 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.123 -0.582 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.722 -1.413 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.630 -1.526 -0.413 1.00 0.00 H new ATOM 1021 N LEU B 586 21.117 -0.448 -4.360 1.00 0.00 N ATOM 1022 CA LEU B 586 22.175 0.007 -5.255 1.00 0.00 C ATOM 1023 C LEU B 586 21.985 -0.562 -6.657 1.00 0.00 C ATOM 1024 O LEU B 586 22.447 0.017 -7.640 1.00 0.00 O ATOM 1025 CB LEU B 586 23.544 -0.403 -4.708 1.00 0.00 C ATOM 1026 CG LEU B 586 23.834 -1.904 -4.680 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.392 -2.364 -6.018 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.800 -2.240 -3.554 1.00 0.00 C ATOM 0 H LEU B 586 21.442 -1.016 -3.578 1.00 0.00 H new ATOM 0 HA LEU B 586 22.124 1.094 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.313 0.084 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.638 -0.016 -3.693 1.00 0.00 H new ATOM 0 HG LEU B 586 22.898 -2.432 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU B 586 24.593 -3.435 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU B 586 23.666 -2.159 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.318 -1.829 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU B 586 24.995 -3.312 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.736 -1.702 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.363 -1.947 -2.600 1.00 0.00 H new ATOM 1040 N GLU B 587 21.299 -1.697 -6.742 1.00 0.00 N ATOM 1041 CA GLU B 587 21.046 -2.342 -8.025 1.00 0.00 C ATOM 1042 C GLU B 587 19.954 -1.608 -8.798 1.00 0.00 C ATOM 1043 O GLU B 587 19.835 -1.755 -10.014 1.00 0.00 O ATOM 1044 CB GLU B 587 20.642 -3.803 -7.815 1.00 0.00 C ATOM 1045 CG GLU B 587 20.188 -4.498 -9.088 1.00 0.00 C ATOM 1046 CD GLU B 587 20.451 -5.991 -9.064 1.00 0.00 C ATOM 1047 OE1 GLU B 587 21.637 -6.384 -9.081 1.00 0.00 O ATOM 1048 OE2 GLU B 587 19.473 -6.766 -9.028 1.00 0.00 O ATOM 0 H GLU B 587 20.909 -2.189 -5.938 1.00 0.00 H new ATOM 0 HA GLU B 587 21.966 -2.306 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.487 -4.348 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU B 587 19.838 -3.847 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.122 -4.323 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU B 587 20.702 -4.056 -9.942 1.00 0.00 H new ATOM 1055 N ILE B 588 19.161 -0.817 -8.082 1.00 0.00 N ATOM 1056 CA ILE B 588 18.080 -0.060 -8.700 1.00 0.00 C ATOM 1057 C ILE B 588 18.579 0.722 -9.911 1.00 0.00 C ATOM 1058 O ILE B 588 18.138 0.490 -11.037 1.00 0.00 O ATOM 1059 CB ILE B 588 17.436 0.920 -7.701 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.797 0.152 -6.542 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.403 1.789 -8.402 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.285 1.047 -5.435 1.00 0.00 C ATOM 0 H ILE B 588 19.247 -0.684 -7.074 1.00 0.00 H new ATOM 0 HA ILE B 588 17.331 -0.784 -9.021 1.00 0.00 H new ATOM 0 HB ILE B 588 18.213 1.569 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE B 588 15.971 -0.447 -6.925 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.529 -0.542 -6.128 1.00 0.00 H new ATOM 0 HG21 ILE B 588 15.957 2.476 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE B 588 16.885 2.358 -9.197 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.625 1.156 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.845 0.436 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE B 588 17.111 1.628 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.529 1.723 -5.834 1.00 0.00 H new ATOM 1074 N ASP B 589 19.502 1.647 -9.672 1.00 0.00 N ATOM 1075 CA ASP B 589 20.064 2.462 -10.743 1.00 0.00 C ATOM 1076 C ASP B 589 21.022 3.509 -10.184 1.00 0.00 C ATOM 1077 O ASP B 589 20.674 4.259 -9.272 1.00 0.00 O ATOM 1078 CB ASP B 589 18.946 3.145 -11.532 1.00 0.00 C ATOM 1079 CG ASP B 589 18.983 2.797 -13.007 1.00 0.00 C ATOM 1080 OD1 ASP B 589 19.746 3.448 -13.752 1.00 0.00 O ATOM 1081 OD2 ASP B 589 18.250 1.873 -13.417 1.00 0.00 O ATOM 0 H ASP B 589 19.877 1.851 -8.746 1.00 0.00 H new ATOM 0 HA ASP B 589 20.622 1.806 -11.411 1.00 0.00 H new ATOM 0 HB2 ASP B 589 17.981 2.853 -11.117 1.00 0.00 H new ATOM 0 HB3 ASP B 589 19.030 4.225 -11.414 1.00 0.00 H new ATOM 1086 N ASN B 590 22.230 3.553 -10.736 1.00 0.00 N ATOM 1087 CA ASN B 590 23.240 4.507 -10.291 1.00 0.00 C ATOM 1088 C ASN B 590 22.803 5.938 -10.587 1.00 0.00 C ATOM 1089 O ASN B 590 23.160 6.869 -9.864 1.00 0.00 O ATOM 1090 CB ASN B 590 24.579 4.219 -10.973 1.00 0.00 C ATOM 1091 CG ASN B 590 25.135 2.857 -10.604 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.433 1.848 -10.676 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.401 2.823 -10.206 1.00 0.00 N ATOM 0 H ASN B 590 22.534 2.939 -11.492 1.00 0.00 H new ATOM 0 HA ASN B 590 23.358 4.397 -9.213 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.453 4.276 -12.054 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.298 4.989 -10.695 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.830 1.935 -9.944 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.945 3.685 -10.162 1.00 0.00 H new ATOM 1100 N SER B 591 22.027 6.106 -11.653 1.00 0.00 N ATOM 1101 CA SER B 591 21.544 7.425 -12.046 1.00 0.00 C ATOM 1102 C SER B 591 20.690 8.042 -10.942 1.00 0.00 C ATOM 1103 O SER B 591 20.891 9.193 -10.558 1.00 0.00 O ATOM 1104 CB SER B 591 20.733 7.329 -13.340 1.00 0.00 C ATOM 1105 OG SER B 591 20.670 8.583 -13.996 1.00 0.00 O ATOM 0 H SER B 591 21.719 5.346 -12.260 1.00 0.00 H new ATOM 0 HA SER B 591 22.409 8.067 -12.214 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.185 6.591 -14.002 1.00 0.00 H new ATOM 0 HB3 SER B 591 19.725 6.981 -13.116 1.00 0.00 H new ATOM 0 HG SER B 591 20.148 8.495 -14.821 1.00 0.00 H new ATOM 1111 N GLU B 592 19.735 7.266 -10.437 1.00 0.00 N ATOM 1112 CA GLU B 592 18.850 7.737 -9.379 1.00 0.00 C ATOM 1113 C GLU B 592 19.583 7.791 -8.041 1.00 0.00 C ATOM 1114 O GLU B 592 19.470 8.767 -7.298 1.00 0.00 O ATOM 1115 CB GLU B 592 17.625 6.826 -9.265 1.00 0.00 C ATOM 1116 CG GLU B 592 16.867 6.661 -10.572 1.00 0.00 C ATOM 1117 CD GLU B 592 15.997 7.860 -10.897 1.00 0.00 C ATOM 1118 OE1 GLU B 592 15.225 8.290 -10.015 1.00 0.00 O ATOM 1119 OE2 GLU B 592 16.089 8.368 -12.034 1.00 0.00 O ATOM 0 H GLU B 592 19.555 6.310 -10.744 1.00 0.00 H new ATOM 0 HA GLU B 592 18.522 8.744 -9.636 1.00 0.00 H new ATOM 0 HB2 GLU B 592 17.944 5.845 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU B 592 16.950 7.231 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.578 6.502 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU B 592 16.243 5.769 -10.516 1.00 0.00 H new ATOM 1126 N LEU B 593 20.332 6.736 -7.741 1.00 0.00 N ATOM 1127 CA LEU B 593 21.083 6.662 -6.492 1.00 0.00 C ATOM 1128 C LEU B 593 21.942 7.908 -6.298 1.00 0.00 C ATOM 1129 O LEU B 593 21.984 8.483 -5.210 1.00 0.00 O ATOM 1130 CB LEU B 593 21.967 5.413 -6.479 1.00 0.00 C ATOM 1131 CG LEU B 593 21.233 4.073 -6.427 1.00 0.00 C ATOM 1132 CD1 LEU B 593 22.091 2.971 -7.029 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.850 3.730 -4.995 1.00 0.00 C ATOM 0 H LEU B 593 20.436 5.920 -8.345 1.00 0.00 H new ATOM 0 HA LEU B 593 20.369 6.604 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.594 5.427 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.634 5.473 -5.619 1.00 0.00 H new ATOM 0 HG LEU B 593 20.320 4.158 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.552 2.025 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.315 3.211 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU B 593 23.021 2.886 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.328 2.773 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.750 3.664 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.197 4.507 -4.597 1.00 0.00 H new ATOM 1145 N LEU B 594 22.623 8.322 -7.361 1.00 0.00 N ATOM 1146 CA LEU B 594 23.479 9.502 -7.309 1.00 0.00 C ATOM 1147 C LEU B 594 22.735 10.688 -6.705 1.00 0.00 C ATOM 1148 O LEU B 594 23.314 11.489 -5.971 1.00 0.00 O ATOM 1149 CB LEU B 594 23.976 9.858 -8.712 1.00 0.00 C ATOM 1150 CG LEU B 594 25.390 10.435 -8.796 1.00 0.00 C ATOM 1151 CD1 LEU B 594 26.390 9.347 -9.156 1.00 0.00 C ATOM 1152 CD2 LEU B 594 25.443 11.567 -9.811 1.00 0.00 C ATOM 0 H LEU B 594 22.599 7.858 -8.269 1.00 0.00 H new ATOM 0 HA LEU B 594 24.335 9.272 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.934 8.961 -9.329 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.284 10.578 -9.149 1.00 0.00 H new ATOM 0 HG LEU B 594 25.657 10.836 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU B 594 27.390 9.776 -9.211 1.00 0.00 H new ATOM 0 HD12 LEU B 594 26.371 8.568 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU B 594 26.126 8.916 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU B 594 26.456 11.966 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU B 594 25.156 11.190 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU B 594 24.755 12.357 -9.511 1.00 0.00 H new ATOM 1164 N HIS B 595 21.447 10.794 -7.017 1.00 0.00 N ATOM 1165 CA HIS B 595 20.623 11.881 -6.502 1.00 0.00 C ATOM 1166 C HIS B 595 20.026 11.516 -5.146 1.00 0.00 C ATOM 1167 O HIS B 595 19.705 12.390 -4.343 1.00 0.00 O ATOM 1168 CB HIS B 595 19.505 12.214 -7.491 1.00 0.00 C ATOM 1169 CG HIS B 595 19.007 13.622 -7.381 1.00 0.00 C ATOM 1170 ND1 HIS B 595 19.765 14.719 -7.735 1.00 0.00 N ATOM 1171 CD2 HIS B 595 17.819 14.110 -6.953 1.00 0.00 C ATOM 1172 CE1 HIS B 595 19.065 15.820 -7.529 1.00 0.00 C ATOM 1173 NE2 HIS B 595 17.881 15.478 -7.055 1.00 0.00 N ATOM 0 H HIS B 595 20.952 10.140 -7.624 1.00 0.00 H new ATOM 0 HA HIS B 595 21.259 12.757 -6.375 1.00 0.00 H new ATOM 0 HB2 HIS B 595 19.866 12.043 -8.505 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.672 11.529 -7.329 1.00 0.00 H new ATOM 0 HD2 HIS B 595 16.979 13.531 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS B 595 19.403 16.828 -7.716 1.00 0.00 H new ATOM 0 HE2 HIS B 595 17.133 16.125 -6.805 1.00 0.00 H new ATOM 1181 N MET B 596 19.880 10.218 -4.900 1.00 0.00 N ATOM 1182 CA MET B 596 19.322 9.737 -3.642 1.00 0.00 C ATOM 1183 C MET B 596 20.301 9.959 -2.493 1.00 0.00 C ATOM 1184 O MET B 596 19.901 10.046 -1.331 1.00 0.00 O ATOM 1185 CB MET B 596 18.971 8.252 -3.749 1.00 0.00 C ATOM 1186 CG MET B 596 17.804 7.969 -4.680 1.00 0.00 C ATOM 1187 SD MET B 596 17.657 6.221 -5.098 1.00 0.00 S ATOM 1188 CE MET B 596 17.376 5.508 -3.479 1.00 0.00 C ATOM 0 H MET B 596 20.140 9.481 -5.555 1.00 0.00 H new ATOM 0 HA MET B 596 18.413 10.303 -3.437 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.846 7.705 -4.100 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.734 7.871 -2.756 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.880 8.305 -4.210 1.00 0.00 H new ATOM 0 HG3 MET B 596 17.926 8.548 -5.595 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.090 4.462 -3.587 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.290 5.575 -2.888 1.00 0.00 H new ATOM 0 HE3 MET B 596 16.578 6.053 -2.975 1.00 0.00 H new ATOM 1198 N LEU B 597 21.584 10.049 -2.825 1.00 0.00 N ATOM 1199 CA LEU B 597 22.621 10.261 -1.821 1.00 0.00 C ATOM 1200 C LEU B 597 22.254 11.415 -0.893 1.00 0.00 C ATOM 1201 O LEU B 597 22.280 11.273 0.329 1.00 0.00 O ATOM 1202 CB LEU B 597 23.964 10.542 -2.497 1.00 0.00 C ATOM 1203 CG LEU B 597 24.354 9.597 -3.634 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.788 9.852 -4.071 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.174 8.148 -3.208 1.00 0.00 C ATOM 0 H LEU B 597 21.931 9.979 -3.781 1.00 0.00 H new ATOM 0 HA LEU B 597 22.705 9.353 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.946 11.560 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.745 10.506 -1.737 1.00 0.00 H new ATOM 0 HG LEU B 597 23.698 9.789 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.048 9.170 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU B 597 25.885 10.881 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.460 9.688 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.456 7.490 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.806 7.942 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.131 7.973 -2.945 1.00 0.00 H new ATOM 1217 N GLU B 598 21.909 12.555 -1.484 1.00 0.00 N ATOM 1218 CA GLU B 598 21.535 13.732 -0.709 1.00 0.00 C ATOM 1219 C GLU B 598 20.017 13.872 -0.630 1.00 0.00 C ATOM 1220 O GLU B 598 19.494 14.963 -0.405 1.00 0.00 O ATOM 1221 CB GLU B 598 22.142 14.992 -1.330 1.00 0.00 C ATOM 1222 CG GLU B 598 21.500 15.392 -2.648 1.00 0.00 C ATOM 1223 CD GLU B 598 22.395 16.284 -3.486 1.00 0.00 C ATOM 1224 OE1 GLU B 598 23.502 15.836 -3.852 1.00 0.00 O ATOM 1225 OE2 GLU B 598 21.989 17.429 -3.776 1.00 0.00 O ATOM 0 H GLU B 598 21.881 12.688 -2.495 1.00 0.00 H new ATOM 0 HA GLU B 598 21.924 13.609 0.302 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.046 15.817 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.208 14.831 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.254 14.494 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.562 15.910 -2.448 1.00 0.00 H new ATOM 1232 N SER B 599 19.316 12.758 -0.818 1.00 0.00 N ATOM 1233 CA SER B 599 17.859 12.756 -0.772 1.00 0.00 C ATOM 1234 C SER B 599 17.353 11.928 0.405 1.00 0.00 C ATOM 1235 O SER B 599 16.923 10.785 0.254 1.00 0.00 O ATOM 1236 CB SER B 599 17.287 12.205 -2.080 1.00 0.00 C ATOM 1237 OG SER B 599 15.979 12.698 -2.313 1.00 0.00 O ATOM 0 H SER B 599 19.734 11.846 -1.003 1.00 0.00 H new ATOM 0 HA SER B 599 17.523 13.785 -0.641 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.937 12.483 -2.910 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.267 11.116 -2.041 1.00 0.00 H new ATOM 0 HG SER B 599 15.637 12.332 -3.155 1.00 0.00 H new ATOM 1243 N PRO B 600 17.406 12.519 1.608 1.00 0.00 N ATOM 1244 CA PRO B 600 16.957 11.855 2.836 1.00 0.00 C ATOM 1245 C PRO B 600 15.443 11.679 2.880 1.00 0.00 C ATOM 1246 O PRO B 600 14.913 11.009 3.766 1.00 0.00 O ATOM 1247 CB PRO B 600 17.417 12.808 3.943 1.00 0.00 C ATOM 1248 CG PRO B 600 17.495 14.142 3.285 1.00 0.00 C ATOM 1249 CD PRO B 600 17.907 13.880 1.863 1.00 0.00 C ATOM 0 HA PRO B 600 17.363 10.847 2.926 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.713 12.817 4.775 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.384 12.508 4.347 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.533 14.653 3.325 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.218 14.784 3.789 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.468 14.605 1.177 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.988 13.940 1.740 1.00 0.00 H new ATOM 1257 N GLU B 601 14.753 12.285 1.919 1.00 0.00 N ATOM 1258 CA GLU B 601 13.300 12.194 1.849 1.00 0.00 C ATOM 1259 C GLU B 601 12.869 11.021 0.975 1.00 0.00 C ATOM 1260 O GLU B 601 11.707 10.614 0.991 1.00 0.00 O ATOM 1261 CB GLU B 601 12.711 13.496 1.301 1.00 0.00 C ATOM 1262 CG GLU B 601 13.305 13.919 -0.032 1.00 0.00 C ATOM 1263 CD GLU B 601 12.574 15.095 -0.649 1.00 0.00 C ATOM 1264 OE1 GLU B 601 12.796 16.237 -0.194 1.00 0.00 O ATOM 1265 OE2 GLU B 601 11.780 14.874 -1.588 1.00 0.00 O ATOM 0 H GLU B 601 15.177 12.844 1.179 1.00 0.00 H new ATOM 0 HA GLU B 601 12.923 12.029 2.859 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.633 13.378 1.188 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.870 14.292 2.029 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.354 14.181 0.109 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.277 13.076 -0.722 1.00 0.00 H new ATOM 1272 N SER B 602 13.814 10.481 0.211 1.00 0.00 N ATOM 1273 CA SER B 602 13.532 9.357 -0.674 1.00 0.00 C ATOM 1274 C SER B 602 14.235 8.093 -0.188 1.00 0.00 C ATOM 1275 O SER B 602 13.670 6.999 -0.231 1.00 0.00 O ATOM 1276 CB SER B 602 13.973 9.682 -2.102 1.00 0.00 C ATOM 1277 OG SER B 602 13.666 8.617 -2.986 1.00 0.00 O ATOM 0 H SER B 602 14.781 10.804 0.187 1.00 0.00 H new ATOM 0 HA SER B 602 12.456 9.180 -0.665 1.00 0.00 H new ATOM 0 HB2 SER B 602 13.479 10.593 -2.440 1.00 0.00 H new ATOM 0 HB3 SER B 602 15.046 9.876 -2.120 1.00 0.00 H new ATOM 0 HG SER B 602 13.957 8.850 -3.892 1.00 0.00 H new ATOM 1283 N LEU B 603 15.470 8.252 0.274 1.00 0.00 N ATOM 1284 CA LEU B 603 16.252 7.124 0.770 1.00 0.00 C ATOM 1285 C LEU B 603 15.454 6.312 1.785 1.00 0.00 C ATOM 1286 O LEU B 603 15.287 5.102 1.632 1.00 0.00 O ATOM 1287 CB LEU B 603 17.552 7.620 1.405 1.00 0.00 C ATOM 1288 CG LEU B 603 18.412 6.558 2.091 1.00 0.00 C ATOM 1289 CD1 LEU B 603 18.879 5.518 1.084 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.602 7.202 2.787 1.00 0.00 C ATOM 0 H LEU B 603 15.952 9.150 0.316 1.00 0.00 H new ATOM 0 HA LEU B 603 16.491 6.479 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.151 8.099 0.631 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.305 8.388 2.138 1.00 0.00 H new ATOM 0 HG LEU B 603 17.804 6.057 2.845 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.490 4.770 1.590 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.013 5.034 0.632 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.470 6.003 0.307 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.202 6.431 3.270 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.211 7.730 2.053 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.246 7.908 3.538 1.00 0.00 H new ATOM 1302 N ARG B 604 14.962 6.986 2.819 1.00 0.00 N ATOM 1303 CA ARG B 604 14.181 6.327 3.859 1.00 0.00 C ATOM 1304 C ARG B 604 13.017 5.548 3.253 1.00 0.00 C ATOM 1305 O ARG B 604 12.791 4.387 3.591 1.00 0.00 O ATOM 1306 CB ARG B 604 13.654 7.357 4.860 1.00 0.00 C ATOM 1307 CG ARG B 604 14.729 8.282 5.405 1.00 0.00 C ATOM 1308 CD ARG B 604 15.870 7.499 6.036 1.00 0.00 C ATOM 1309 NE ARG B 604 15.426 6.712 7.183 1.00 0.00 N ATOM 1310 CZ ARG B 604 15.158 7.235 8.374 1.00 0.00 C ATOM 1311 NH1 ARG B 604 15.288 8.540 8.573 1.00 0.00 N ATOM 1312 NH2 ARG B 604 14.758 6.454 9.369 1.00 0.00 N ATOM 0 H ARG B 604 15.090 7.988 2.959 1.00 0.00 H new ATOM 0 HA ARG B 604 14.833 5.626 4.379 1.00 0.00 H new ATOM 0 HB2 ARG B 604 12.881 7.956 4.379 1.00 0.00 H new ATOM 0 HB3 ARG B 604 13.181 6.834 5.691 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.116 8.906 4.600 1.00 0.00 H new ATOM 0 HG3 ARG B 604 14.293 8.952 6.146 1.00 0.00 H new ATOM 0 HD2 ARG B 604 16.311 6.837 5.291 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.652 8.189 6.351 1.00 0.00 H new ATOM 0 HE ARG B 604 15.316 5.705 7.063 1.00 0.00 H new ATOM 0 HH11 ARG B 604 15.594 9.144 7.810 1.00 0.00 H new ATOM 0 HH12 ARG B 604 15.082 8.939 9.489 1.00 0.00 H new ATOM 0 HH21 ARG B 604 14.656 5.450 9.220 1.00 0.00 H new ATOM 0 HH22 ARG B 604 14.553 6.857 10.283 1.00 0.00 H new ATOM 1326 N SER B 605 12.281 6.197 2.355 1.00 0.00 N ATOM 1327 CA SER B 605 11.138 5.567 1.705 1.00 0.00 C ATOM 1328 C SER B 605 11.533 4.228 1.090 1.00 0.00 C ATOM 1329 O SER B 605 10.913 3.199 1.360 1.00 0.00 O ATOM 1330 CB SER B 605 10.567 6.488 0.626 1.00 0.00 C ATOM 1331 OG SER B 605 9.247 6.108 0.277 1.00 0.00 O ATOM 0 H SER B 605 12.456 7.158 2.062 1.00 0.00 H new ATOM 0 HA SER B 605 10.374 5.388 2.462 1.00 0.00 H new ATOM 0 HB2 SER B 605 10.570 7.518 0.984 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.204 6.456 -0.258 1.00 0.00 H new ATOM 0 HG SER B 605 8.904 6.713 -0.413 1.00 0.00 H new ATOM 1337 N LYS B 606 12.570 4.248 0.259 1.00 0.00 N ATOM 1338 CA LYS B 606 13.051 3.038 -0.395 1.00 0.00 C ATOM 1339 C LYS B 606 13.385 1.960 0.631 1.00 0.00 C ATOM 1340 O LYS B 606 12.957 0.813 0.504 1.00 0.00 O ATOM 1341 CB LYS B 606 14.286 3.348 -1.244 1.00 0.00 C ATOM 1342 CG LYS B 606 14.183 2.846 -2.674 1.00 0.00 C ATOM 1343 CD LYS B 606 13.059 3.536 -3.428 1.00 0.00 C ATOM 1344 CE LYS B 606 13.594 4.586 -4.389 1.00 0.00 C ATOM 1345 NZ LYS B 606 13.458 5.963 -3.840 1.00 0.00 N ATOM 0 H LYS B 606 13.094 5.091 0.023 1.00 0.00 H new ATOM 0 HA LYS B 606 12.257 2.666 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS B 606 14.446 4.426 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.162 2.901 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS B 606 15.128 3.018 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS B 606 14.013 1.769 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS B 606 12.482 2.795 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS B 606 12.378 4.005 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS B 606 14.643 4.382 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS B 606 13.058 4.518 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 13.834 6.649 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 12.454 6.168 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 13.990 6.036 -2.950 1.00 0.00 H new ATOM 1359 N VAL B 607 14.151 2.337 1.651 1.00 0.00 N ATOM 1360 CA VAL B 607 14.540 1.403 2.701 1.00 0.00 C ATOM 1361 C VAL B 607 13.327 0.669 3.260 1.00 0.00 C ATOM 1362 O VAL B 607 13.306 -0.560 3.322 1.00 0.00 O ATOM 1363 CB VAL B 607 15.266 2.124 3.852 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.722 1.125 4.904 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.444 2.925 3.319 1.00 0.00 C ATOM 0 H VAL B 607 14.514 3.283 1.772 1.00 0.00 H new ATOM 0 HA VAL B 607 15.220 0.682 2.248 1.00 0.00 H new ATOM 0 HB VAL B 607 14.568 2.817 4.322 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.233 1.653 5.709 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.856 0.600 5.306 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.404 0.406 4.451 1.00 0.00 H new ATOM 0 HG21 VAL B 607 16.946 3.428 4.146 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.145 2.254 2.823 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.086 3.668 2.606 1.00 0.00 H new ATOM 1375 N ASP B 608 12.317 1.431 3.667 1.00 0.00 N ATOM 1376 CA ASP B 608 11.098 0.853 4.221 1.00 0.00 C ATOM 1377 C ASP B 608 10.425 -0.068 3.208 1.00 0.00 C ATOM 1378 O ASP B 608 9.940 -1.143 3.559 1.00 0.00 O ATOM 1379 CB ASP B 608 10.131 1.959 4.645 1.00 0.00 C ATOM 1380 CG ASP B 608 8.820 1.410 5.174 1.00 0.00 C ATOM 1381 OD1 ASP B 608 7.968 1.014 4.352 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.647 1.378 6.411 1.00 0.00 O ATOM 0 H ASP B 608 12.319 2.450 3.624 1.00 0.00 H new ATOM 0 HA ASP B 608 11.370 0.264 5.097 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.601 2.574 5.413 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.932 2.610 3.794 1.00 0.00 H new ATOM 1387 N GLU B 609 10.398 0.362 1.950 1.00 0.00 N ATOM 1388 CA GLU B 609 9.782 -0.423 0.888 1.00 0.00 C ATOM 1389 C GLU B 609 10.372 -1.830 0.839 1.00 0.00 C ATOM 1390 O GLU B 609 9.642 -2.820 0.818 1.00 0.00 O ATOM 1391 CB GLU B 609 9.971 0.268 -0.464 1.00 0.00 C ATOM 1392 CG GLU B 609 9.319 1.638 -0.543 1.00 0.00 C ATOM 1393 CD GLU B 609 7.981 1.607 -1.257 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.423 0.502 -1.422 1.00 0.00 O ATOM 1395 OE2 GLU B 609 7.493 2.687 -1.651 1.00 0.00 O ATOM 0 H GLU B 609 10.796 1.249 1.642 1.00 0.00 H new ATOM 0 HA GLU B 609 8.716 -0.501 1.102 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.038 0.370 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.559 -0.367 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.180 2.029 0.465 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.988 2.325 -1.062 1.00 0.00 H new ATOM 1402 N ALA B 610 11.698 -1.908 0.820 1.00 0.00 N ATOM 1403 CA ALA B 610 12.387 -3.192 0.775 1.00 0.00 C ATOM 1404 C ALA B 610 12.101 -4.013 2.028 1.00 0.00 C ATOM 1405 O ALA B 610 11.687 -5.169 1.943 1.00 0.00 O ATOM 1406 CB ALA B 610 13.885 -2.981 0.611 1.00 0.00 C ATOM 0 H ALA B 610 12.317 -1.097 0.835 1.00 0.00 H new ATOM 0 HA ALA B 610 12.013 -3.747 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.387 -3.948 0.579 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.077 -2.441 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.265 -2.402 1.453 1.00 0.00 H new ATOM 1412 N VAL B 611 12.325 -3.408 3.190 1.00 0.00 N ATOM 1413 CA VAL B 611 12.091 -4.083 4.461 1.00 0.00 C ATOM 1414 C VAL B 611 10.699 -4.704 4.505 1.00 0.00 C ATOM 1415 O VAL B 611 10.506 -5.782 5.066 1.00 0.00 O ATOM 1416 CB VAL B 611 12.247 -3.114 5.648 1.00 0.00 C ATOM 1417 CG1 VAL B 611 11.949 -3.825 6.960 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.643 -2.511 5.664 1.00 0.00 C ATOM 0 H VAL B 611 12.668 -2.451 3.277 1.00 0.00 H new ATOM 0 HA VAL B 611 12.840 -4.871 4.544 1.00 0.00 H new ATOM 0 HB VAL B 611 11.528 -2.303 5.530 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.064 -3.125 7.788 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.927 -4.204 6.945 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.642 -4.656 7.089 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.735 -1.829 6.509 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.382 -3.307 5.758 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.814 -1.964 4.737 1.00 0.00 H new ATOM 1428 N ALA B 612 9.731 -4.015 3.909 1.00 0.00 N ATOM 1429 CA ALA B 612 8.356 -4.500 3.878 1.00 0.00 C ATOM 1430 C ALA B 612 8.203 -5.652 2.891 1.00 0.00 C ATOM 1431 O ALA B 612 7.438 -6.587 3.126 1.00 0.00 O ATOM 1432 CB ALA B 612 7.405 -3.367 3.521 1.00 0.00 C ATOM 0 H ALA B 612 9.873 -3.120 3.441 1.00 0.00 H new ATOM 0 HA ALA B 612 8.105 -4.871 4.872 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.382 -3.743 3.501 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.486 -2.575 4.266 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.664 -2.970 2.540 1.00 0.00 H new ATOM 1438 N VAL B 613 8.935 -5.579 1.784 1.00 0.00 N ATOM 1439 CA VAL B 613 8.881 -6.616 0.761 1.00 0.00 C ATOM 1440 C VAL B 613 9.275 -7.973 1.332 1.00 0.00 C ATOM 1441 O VAL B 613 8.897 -9.017 0.800 1.00 0.00 O ATOM 1442 CB VAL B 613 9.805 -6.283 -0.426 1.00 0.00 C ATOM 1443 CG1 VAL B 613 11.093 -7.088 -0.342 1.00 0.00 C ATOM 1444 CG2 VAL B 613 9.091 -6.540 -1.745 1.00 0.00 C ATOM 0 H VAL B 613 9.573 -4.812 1.573 1.00 0.00 H new ATOM 0 HA VAL B 613 7.850 -6.659 0.409 1.00 0.00 H new ATOM 0 HB VAL B 613 10.062 -5.225 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.733 -6.840 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.611 -6.850 0.587 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.859 -8.152 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.758 -6.300 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.803 -7.590 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL B 613 8.200 -5.915 -1.804 1.00 0.00 H new ATOM 1454 N LEU B 614 10.036 -7.952 2.421 1.00 0.00 N ATOM 1455 CA LEU B 614 10.482 -9.181 3.067 1.00 0.00 C ATOM 1456 C LEU B 614 9.335 -9.848 3.819 1.00 0.00 C ATOM 1457 O LEU B 614 9.175 -11.067 3.772 1.00 0.00 O ATOM 1458 CB LEU B 614 11.634 -8.886 4.029 1.00 0.00 C ATOM 1459 CG LEU B 614 12.674 -9.996 4.191 1.00 0.00 C ATOM 1460 CD1 LEU B 614 13.557 -9.727 5.399 1.00 0.00 C ATOM 1461 CD2 LEU B 614 11.992 -11.351 4.317 1.00 0.00 C ATOM 0 H LEU B 614 10.357 -7.097 2.875 1.00 0.00 H new ATOM 0 HA LEU B 614 10.830 -9.864 2.292 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.144 -7.985 3.688 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.214 -8.663 5.010 1.00 0.00 H new ATOM 0 HG LEU B 614 13.304 -10.010 3.302 1.00 0.00 H new ATOM 0 HD11 LEU B 614 14.291 -10.527 5.499 1.00 0.00 H new ATOM 0 HD12 LEU B 614 14.073 -8.776 5.268 1.00 0.00 H new ATOM 0 HD13 LEU B 614 12.941 -9.685 6.298 1.00 0.00 H new ATOM 0 HD21 LEU B 614 12.747 -12.129 4.431 1.00 0.00 H new ATOM 0 HD22 LEU B 614 11.338 -11.349 5.189 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.403 -11.546 3.421 1.00 0.00 H new ATOM 1473 N GLN B 615 8.538 -9.039 4.510 1.00 0.00 N ATOM 1474 CA GLN B 615 7.405 -9.551 5.271 1.00 0.00 C ATOM 1475 C GLN B 615 6.461 -10.345 4.374 1.00 0.00 C ATOM 1476 O GLN B 615 5.693 -11.181 4.850 1.00 0.00 O ATOM 1477 CB GLN B 615 6.648 -8.400 5.936 1.00 0.00 C ATOM 1478 CG GLN B 615 7.556 -7.379 6.602 1.00 0.00 C ATOM 1479 CD GLN B 615 7.204 -7.147 8.058 1.00 0.00 C ATOM 1480 OE1 GLN B 615 6.029 -7.091 8.423 1.00 0.00 O ATOM 1481 NE2 GLN B 615 8.222 -7.011 8.900 1.00 0.00 N ATOM 0 H GLN B 615 8.656 -8.027 4.558 1.00 0.00 H new ATOM 0 HA GLN B 615 7.790 -10.217 6.043 1.00 0.00 H new ATOM 0 HB2 GLN B 615 6.037 -7.897 5.186 1.00 0.00 H new ATOM 0 HB3 GLN B 615 5.965 -8.808 6.682 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.590 -7.717 6.532 1.00 0.00 H new ATOM 0 HG3 GLN B 615 7.492 -6.434 6.062 1.00 0.00 H new ATOM 0 HE21 GLN B 615 9.180 -7.064 8.555 1.00 0.00 H new ATOM 0 HE22 GLN B 615 8.046 -6.853 9.892 1.00 0.00 H new ATOM 1490 N ALA B 616 6.524 -10.078 3.073 1.00 0.00 N ATOM 1491 CA ALA B 616 5.676 -10.768 2.110 1.00 0.00 C ATOM 1492 C ALA B 616 6.394 -11.974 1.512 1.00 0.00 C ATOM 1493 O ALA B 616 6.176 -12.328 0.353 1.00 0.00 O ATOM 1494 CB ALA B 616 5.241 -9.812 1.009 1.00 0.00 C ATOM 0 H ALA B 616 7.154 -9.389 2.663 1.00 0.00 H new ATOM 0 HA ALA B 616 4.791 -11.127 2.635 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.608 -10.341 0.297 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.682 -8.984 1.446 1.00 0.00 H new ATOM 0 HB3 ALA B 616 6.121 -9.425 0.495 1.00 0.00 H new