USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 556 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 558 GLN : amide:sc= -0.0453 X(o=-0.045,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -0.796 K(o=-0.8,f=-2!) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= -1.84 X(o=-1.8,f=-2.2) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.26) 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 65:sc= 1.24 USER MOD Single : B 584 MET CE :methyl -126:sc= -0.617 (180deg=-4.53!) USER MOD Single : B 590 ASN : amide:sc= -0.551 K(o=-0.55,f=-2.4!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.045) USER MOD Single : B 596 MET CE :methyl 173:sc= -0.105 (180deg=-0.236) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 615 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 9.108 -2.313 -6.105 1.00 0.00 N ATOM 68 CA VAL A 77 8.908 -3.736 -5.862 1.00 0.00 C ATOM 69 C VAL A 77 10.241 -4.468 -5.753 1.00 0.00 C ATOM 70 O VAL A 77 10.671 -5.167 -6.671 1.00 0.00 O ATOM 71 CB VAL A 77 8.070 -4.384 -6.980 1.00 0.00 C ATOM 72 CG1 VAL A 77 8.682 -4.095 -8.342 1.00 0.00 C ATOM 73 CG2 VAL A 77 7.942 -5.882 -6.750 1.00 0.00 C ATOM 0 HA VAL A 77 8.370 -3.823 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 77 7.070 -3.950 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.076 -4.561 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.715 -3.018 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.694 -4.499 -8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.347 -6.323 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.933 -6.335 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.454 -6.063 -5.792 1.00 0.00 H new ATOM 83 N PRO A 78 10.913 -4.305 -4.604 1.00 0.00 N ATOM 84 CA PRO A 78 12.208 -4.944 -4.346 1.00 0.00 C ATOM 85 C PRO A 78 12.086 -6.454 -4.176 1.00 0.00 C ATOM 86 O PRO A 78 11.265 -6.935 -3.396 1.00 0.00 O ATOM 87 CB PRO A 78 12.670 -4.293 -3.040 1.00 0.00 C ATOM 88 CG PRO A 78 11.414 -3.862 -2.366 1.00 0.00 C ATOM 89 CD PRO A 78 10.461 -3.487 -3.466 1.00 0.00 C ATOM 0 HA PRO A 78 12.903 -4.808 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.229 -4.997 -2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.328 -3.445 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.005 -4.665 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.597 -3.016 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.429 -3.710 -3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.509 -2.422 -3.693 1.00 0.00 H new ATOM 97 N ASN A 79 12.909 -7.196 -4.909 1.00 0.00 N ATOM 98 CA ASN A 79 12.892 -8.653 -4.838 1.00 0.00 C ATOM 99 C ASN A 79 13.583 -9.143 -3.570 1.00 0.00 C ATOM 100 O ASN A 79 14.811 -9.144 -3.479 1.00 0.00 O ATOM 101 CB ASN A 79 13.576 -9.252 -6.069 1.00 0.00 C ATOM 102 CG ASN A 79 12.757 -9.068 -7.332 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.973 -8.126 -8.094 1.00 0.00 O ATOM 104 ND2 ASN A 79 11.811 -9.972 -7.560 1.00 0.00 N ATOM 0 H ASN A 79 13.596 -6.813 -5.559 1.00 0.00 H new ATOM 0 HA ASN A 79 11.852 -8.979 -4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.553 -8.786 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.750 -10.315 -5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.229 -9.901 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.667 -10.737 -6.901 1.00 0.00 H new ATOM 111 N VAL A 80 12.785 -9.561 -2.592 1.00 0.00 N ATOM 112 CA VAL A 80 13.319 -10.056 -1.329 1.00 0.00 C ATOM 113 C VAL A 80 14.394 -11.111 -1.562 1.00 0.00 C ATOM 114 O VAL A 80 15.299 -11.282 -0.745 1.00 0.00 O ATOM 115 CB VAL A 80 12.208 -10.658 -0.447 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.315 -11.577 -1.266 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.811 -11.401 0.735 1.00 0.00 C ATOM 0 H VAL A 80 11.767 -9.567 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 80 13.758 -9.201 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 80 11.594 -9.845 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.536 -11.993 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.855 -11.011 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.912 -12.387 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.012 -11.820 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.450 -12.206 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.404 -10.710 1.335 1.00 0.00 H new ATOM 127 N HIS A 81 14.289 -11.817 -2.684 1.00 0.00 N ATOM 128 CA HIS A 81 15.254 -12.856 -3.026 1.00 0.00 C ATOM 129 C HIS A 81 16.551 -12.243 -3.547 1.00 0.00 C ATOM 130 O HIS A 81 16.967 -12.512 -4.674 1.00 0.00 O ATOM 131 CB HIS A 81 14.667 -13.802 -4.074 1.00 0.00 C ATOM 132 CG HIS A 81 13.404 -14.476 -3.631 1.00 0.00 C ATOM 133 ND1 HIS A 81 12.149 -13.975 -3.904 1.00 0.00 N ATOM 134 CD2 HIS A 81 13.208 -15.618 -2.933 1.00 0.00 C ATOM 135 CE1 HIS A 81 11.235 -14.779 -3.391 1.00 0.00 C ATOM 136 NE2 HIS A 81 11.852 -15.785 -2.797 1.00 0.00 N ATOM 0 H HIS A 81 13.546 -11.688 -3.371 1.00 0.00 H new ATOM 0 HA HIS A 81 15.477 -13.421 -2.121 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.469 -13.241 -4.988 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.408 -14.562 -4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.976 -16.276 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.166 -14.638 -3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.395 -16.560 -2.316 1.00 0.00 H new ATOM 144 N ALA A 82 17.183 -11.417 -2.720 1.00 0.00 N ATOM 145 CA ALA A 82 18.432 -10.767 -3.097 1.00 0.00 C ATOM 146 C ALA A 82 19.419 -10.757 -1.934 1.00 0.00 C ATOM 147 O ALA A 82 19.305 -9.943 -1.019 1.00 0.00 O ATOM 148 CB ALA A 82 18.165 -9.349 -3.578 1.00 0.00 C ATOM 0 H ALA A 82 16.851 -11.182 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 82 18.878 -11.337 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.107 -8.876 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.503 -9.377 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.693 -8.777 -2.779 1.00 0.00 H new ATOM 154 N ALA A 83 20.387 -11.667 -1.977 1.00 0.00 N ATOM 155 CA ALA A 83 21.393 -11.761 -0.928 1.00 0.00 C ATOM 156 C ALA A 83 22.241 -10.495 -0.864 1.00 0.00 C ATOM 157 O ALA A 83 22.076 -9.587 -1.678 1.00 0.00 O ATOM 158 CB ALA A 83 22.277 -12.980 -1.152 1.00 0.00 C ATOM 0 H ALA A 83 20.495 -12.349 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 83 20.877 -11.870 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.024 -13.038 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 83 21.664 -13.881 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.776 -12.895 -2.117 1.00 0.00 H new ATOM 164 N GLU A 84 23.147 -10.443 0.107 1.00 0.00 N ATOM 165 CA GLU A 84 24.018 -9.286 0.276 1.00 0.00 C ATOM 166 C GLU A 84 24.711 -8.930 -1.036 1.00 0.00 C ATOM 167 O GLU A 84 24.900 -9.784 -1.903 1.00 0.00 O ATOM 168 CB GLU A 84 25.064 -9.561 1.359 1.00 0.00 C ATOM 169 CG GLU A 84 26.074 -10.628 0.973 1.00 0.00 C ATOM 170 CD GLU A 84 26.921 -11.081 2.146 1.00 0.00 C ATOM 171 OE1 GLU A 84 26.381 -11.765 3.040 1.00 0.00 O ATOM 172 OE2 GLU A 84 28.126 -10.752 2.169 1.00 0.00 O ATOM 0 H GLU A 84 23.297 -11.188 0.788 1.00 0.00 H new ATOM 0 HA GLU A 84 23.401 -8.441 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 84 25.594 -8.635 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 84 24.556 -9.867 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.548 -11.487 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 84 26.724 -10.241 0.188 1.00 0.00 H new ATOM 179 N PHE A 85 25.087 -7.663 -1.175 1.00 0.00 N ATOM 180 CA PHE A 85 25.758 -7.193 -2.382 1.00 0.00 C ATOM 181 C PHE A 85 27.221 -7.626 -2.395 1.00 0.00 C ATOM 182 O PHE A 85 27.696 -8.277 -1.464 1.00 0.00 O ATOM 183 CB PHE A 85 25.664 -5.669 -2.482 1.00 0.00 C ATOM 184 CG PHE A 85 26.792 -4.953 -1.796 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.839 -4.868 -0.414 1.00 0.00 C ATOM 186 CD2 PHE A 85 27.806 -4.364 -2.534 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.876 -4.210 0.220 1.00 0.00 C ATOM 188 CE2 PHE A 85 28.846 -3.705 -1.906 1.00 0.00 C ATOM 189 CZ PHE A 85 28.880 -3.627 -0.527 1.00 0.00 C ATOM 0 H PHE A 85 24.939 -6.944 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 85 25.259 -7.638 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.648 -5.382 -3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.719 -5.342 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.056 -5.321 0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 85 27.783 -4.420 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.901 -4.152 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.631 -3.252 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.691 -3.111 -0.034 1.00 0.00 H new ATOM 537 N GLN B 556 31.065 -1.386 -13.358 1.00 0.00 N ATOM 538 CA GLN B 556 31.011 -2.649 -12.633 1.00 0.00 C ATOM 539 C GLN B 556 31.473 -2.469 -11.191 1.00 0.00 C ATOM 540 O GLN B 556 31.090 -3.235 -10.307 1.00 0.00 O ATOM 541 CB GLN B 556 31.877 -3.700 -13.331 1.00 0.00 C ATOM 542 CG GLN B 556 31.250 -4.262 -14.596 1.00 0.00 C ATOM 543 CD GLN B 556 32.213 -5.120 -15.393 1.00 0.00 C ATOM 544 OE1 GLN B 556 33.346 -5.355 -14.973 1.00 0.00 O ATOM 545 NE2 GLN B 556 31.765 -5.595 -16.549 1.00 0.00 N ATOM 0 HA GLN B 556 29.976 -2.989 -12.624 1.00 0.00 H new ATOM 0 HB2 GLN B 556 32.842 -3.257 -13.579 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.071 -4.518 -12.637 1.00 0.00 H new ATOM 0 HG2 GLN B 556 30.375 -4.855 -14.331 1.00 0.00 H new ATOM 0 HG3 GLN B 556 30.900 -3.440 -15.220 1.00 0.00 H new ATOM 0 HE21 GLN B 556 30.818 -5.375 -16.858 1.00 0.00 H new ATOM 0 HE22 GLN B 556 32.367 -6.180 -17.128 1.00 0.00 H new ATOM 554 N GLU B 557 32.297 -1.452 -10.961 1.00 0.00 N ATOM 555 CA GLU B 557 32.811 -1.173 -9.625 1.00 0.00 C ATOM 556 C GLU B 557 31.939 -0.146 -8.910 1.00 0.00 C ATOM 557 O GLU B 557 31.840 -0.148 -7.683 1.00 0.00 O ATOM 558 CB GLU B 557 34.253 -0.667 -9.705 1.00 0.00 C ATOM 559 CG GLU B 557 35.260 -1.749 -10.056 1.00 0.00 C ATOM 560 CD GLU B 557 35.539 -2.685 -8.896 1.00 0.00 C ATOM 561 OE1 GLU B 557 34.876 -2.545 -7.848 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.422 -3.557 -9.038 1.00 0.00 O ATOM 0 H GLU B 557 32.623 -0.808 -11.682 1.00 0.00 H new ATOM 0 HA GLU B 557 32.790 -2.101 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU B 557 34.310 0.126 -10.451 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.527 -0.224 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU B 557 34.887 -2.326 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU B 557 36.192 -1.283 -10.374 1.00 0.00 H new ATOM 569 N GLN B 558 31.309 0.730 -9.686 1.00 0.00 N ATOM 570 CA GLN B 558 30.446 1.764 -9.127 1.00 0.00 C ATOM 571 C GLN B 558 29.412 1.158 -8.183 1.00 0.00 C ATOM 572 O GLN B 558 29.212 1.644 -7.069 1.00 0.00 O ATOM 573 CB GLN B 558 29.742 2.531 -10.247 1.00 0.00 C ATOM 574 CG GLN B 558 30.536 3.721 -10.761 1.00 0.00 C ATOM 575 CD GLN B 558 29.660 4.765 -11.425 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.808 5.963 -11.180 1.00 0.00 O ATOM 577 NE2 GLN B 558 28.740 4.316 -12.270 1.00 0.00 N ATOM 0 H GLN B 558 31.380 0.744 -10.703 1.00 0.00 H new ATOM 0 HA GLN B 558 31.070 2.455 -8.559 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.546 1.850 -11.075 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.774 2.879 -9.885 1.00 0.00 H new ATOM 0 HG2 GLN B 558 31.075 4.179 -9.931 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.284 3.373 -11.474 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.652 3.315 -12.444 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.121 4.972 -12.746 1.00 0.00 H new ATOM 586 N LYS B 559 28.758 0.093 -8.634 1.00 0.00 N ATOM 587 CA LYS B 559 27.745 -0.581 -7.830 1.00 0.00 C ATOM 588 C LYS B 559 28.299 -0.956 -6.460 1.00 0.00 C ATOM 589 O LYS B 559 27.727 -0.598 -5.430 1.00 0.00 O ATOM 590 CB LYS B 559 27.244 -1.835 -8.550 1.00 0.00 C ATOM 591 CG LYS B 559 26.051 -1.581 -9.455 1.00 0.00 C ATOM 592 CD LYS B 559 25.384 -2.880 -9.876 1.00 0.00 C ATOM 593 CE LYS B 559 26.276 -3.690 -10.804 1.00 0.00 C ATOM 594 NZ LYS B 559 25.605 -4.934 -11.272 1.00 0.00 N ATOM 0 H LYS B 559 28.911 -0.322 -9.553 1.00 0.00 H new ATOM 0 HA LYS B 559 26.911 0.107 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS B 559 28.057 -2.252 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS B 559 26.973 -2.586 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS B 559 25.328 -0.951 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS B 559 26.375 -1.034 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS B 559 25.146 -3.471 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS B 559 24.441 -2.660 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS B 559 26.553 -3.081 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS B 559 27.200 -3.948 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 26.245 -5.458 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 25.363 -5.527 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 24.737 -4.687 -11.789 1.00 0.00 H new ATOM 608 N GLN B 560 29.416 -1.677 -6.455 1.00 0.00 N ATOM 609 CA GLN B 560 30.047 -2.099 -5.210 1.00 0.00 C ATOM 610 C GLN B 560 30.349 -0.899 -4.319 1.00 0.00 C ATOM 611 O GLN B 560 30.186 -0.961 -3.101 1.00 0.00 O ATOM 612 CB GLN B 560 31.336 -2.869 -5.502 1.00 0.00 C ATOM 613 CG GLN B 560 31.181 -3.925 -6.585 1.00 0.00 C ATOM 614 CD GLN B 560 29.869 -4.676 -6.485 1.00 0.00 C ATOM 615 OE1 GLN B 560 29.373 -4.939 -5.388 1.00 0.00 O ATOM 616 NE2 GLN B 560 29.297 -5.027 -7.631 1.00 0.00 N ATOM 0 H GLN B 560 29.902 -1.981 -7.299 1.00 0.00 H new ATOM 0 HA GLN B 560 29.352 -2.754 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN B 560 32.111 -2.164 -5.802 1.00 0.00 H new ATOM 0 HB3 GLN B 560 31.679 -3.348 -4.585 1.00 0.00 H new ATOM 0 HG2 GLN B 560 31.249 -3.449 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN B 560 32.007 -4.633 -6.517 1.00 0.00 H new ATOM 0 HE21 GLN B 560 29.742 -4.789 -8.517 1.00 0.00 H new ATOM 0 HE22 GLN B 560 28.412 -5.535 -7.625 1.00 0.00 H new ATOM 625 N MET B 561 30.791 0.193 -4.934 1.00 0.00 N ATOM 626 CA MET B 561 31.115 1.408 -4.196 1.00 0.00 C ATOM 627 C MET B 561 29.895 1.927 -3.441 1.00 0.00 C ATOM 628 O MET B 561 29.913 2.039 -2.214 1.00 0.00 O ATOM 629 CB MET B 561 31.636 2.486 -5.148 1.00 0.00 C ATOM 630 CG MET B 561 32.902 2.084 -5.888 1.00 0.00 C ATOM 631 SD MET B 561 34.177 3.357 -5.825 1.00 0.00 S ATOM 632 CE MET B 561 33.427 4.637 -6.828 1.00 0.00 C ATOM 0 H MET B 561 30.933 0.261 -5.942 1.00 0.00 H new ATOM 0 HA MET B 561 31.893 1.166 -3.472 1.00 0.00 H new ATOM 0 HB2 MET B 561 30.860 2.723 -5.875 1.00 0.00 H new ATOM 0 HB3 MET B 561 31.830 3.397 -4.581 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.293 1.162 -5.457 1.00 0.00 H new ATOM 0 HG3 MET B 561 32.658 1.871 -6.929 1.00 0.00 H new ATOM 0 HE1 MET B 561 34.097 5.495 -6.884 1.00 0.00 H new ATOM 0 HE2 MET B 561 33.244 4.253 -7.831 1.00 0.00 H new ATOM 0 HE3 MET B 561 32.482 4.944 -6.379 1.00 0.00 H new ATOM 642 N LEU B 562 28.837 2.243 -4.180 1.00 0.00 N ATOM 643 CA LEU B 562 27.609 2.750 -3.579 1.00 0.00 C ATOM 644 C LEU B 562 27.140 1.841 -2.448 1.00 0.00 C ATOM 645 O LEU B 562 26.817 2.308 -1.356 1.00 0.00 O ATOM 646 CB LEU B 562 26.512 2.871 -4.639 1.00 0.00 C ATOM 647 CG LEU B 562 26.631 4.060 -5.594 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.601 3.953 -6.709 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.468 5.370 -4.838 1.00 0.00 C ATOM 0 H LEU B 562 28.805 2.157 -5.196 1.00 0.00 H new ATOM 0 HA LEU B 562 27.817 3.737 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU B 562 26.503 1.955 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU B 562 25.549 2.933 -4.132 1.00 0.00 H new ATOM 0 HG LEU B 562 27.625 4.044 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU B 562 25.700 4.807 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU B 562 25.765 3.032 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.599 3.943 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.556 6.205 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.488 5.396 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.244 5.449 -4.076 1.00 0.00 H new ATOM 661 N GLY B 563 27.107 0.539 -2.716 1.00 0.00 N ATOM 662 CA GLY B 563 26.678 -0.415 -1.710 1.00 0.00 C ATOM 663 C GLY B 563 27.593 -0.434 -0.502 1.00 0.00 C ATOM 664 O GLY B 563 27.128 -0.488 0.636 1.00 0.00 O ATOM 0 H GLY B 563 27.370 0.128 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY B 563 25.665 -0.171 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY B 563 26.642 -1.411 -2.150 1.00 0.00 H new ATOM 668 N GLU B 564 28.899 -0.391 -0.750 1.00 0.00 N ATOM 669 CA GLU B 564 29.881 -0.407 0.328 1.00 0.00 C ATOM 670 C GLU B 564 29.640 0.744 1.300 1.00 0.00 C ATOM 671 O GLU B 564 29.678 0.561 2.517 1.00 0.00 O ATOM 672 CB GLU B 564 31.298 -0.319 -0.242 1.00 0.00 C ATOM 673 CG GLU B 564 31.914 -1.673 -0.553 1.00 0.00 C ATOM 674 CD GLU B 564 33.430 -1.645 -0.524 1.00 0.00 C ATOM 675 OE1 GLU B 564 34.002 -0.538 -0.455 1.00 0.00 O ATOM 676 OE2 GLU B 564 34.043 -2.732 -0.570 1.00 0.00 O ATOM 0 H GLU B 564 29.301 -0.345 -1.686 1.00 0.00 H new ATOM 0 HA GLU B 564 29.773 -1.347 0.870 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.278 0.279 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU B 564 31.935 0.206 0.470 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.554 -2.406 0.169 1.00 0.00 H new ATOM 0 HG3 GLU B 564 31.579 -2.003 -1.536 1.00 0.00 H new ATOM 683 N ARG B 565 29.393 1.930 0.754 1.00 0.00 N ATOM 684 CA ARG B 565 29.148 3.112 1.572 1.00 0.00 C ATOM 685 C ARG B 565 27.746 3.076 2.173 1.00 0.00 C ATOM 686 O ARG B 565 27.505 3.628 3.247 1.00 0.00 O ATOM 687 CB ARG B 565 29.324 4.382 0.737 1.00 0.00 C ATOM 688 CG ARG B 565 30.676 4.475 0.048 1.00 0.00 C ATOM 689 CD ARG B 565 31.620 5.403 0.795 1.00 0.00 C ATOM 690 NE ARG B 565 31.839 4.968 2.172 1.00 0.00 N ATOM 691 CZ ARG B 565 32.306 5.763 3.129 1.00 0.00 C ATOM 692 NH1 ARG B 565 32.600 7.027 2.859 1.00 0.00 N ATOM 693 NH2 ARG B 565 32.478 5.293 4.358 1.00 0.00 N ATOM 0 H ARG B 565 29.357 2.098 -0.251 1.00 0.00 H new ATOM 0 HA ARG B 565 29.874 3.117 2.385 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.538 4.423 -0.017 1.00 0.00 H new ATOM 0 HB3 ARG B 565 29.193 5.251 1.381 1.00 0.00 H new ATOM 0 HG2 ARG B 565 31.120 3.482 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.542 4.835 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG B 565 32.575 5.446 0.272 1.00 0.00 H new ATOM 0 HD3 ARG B 565 31.211 6.413 0.795 1.00 0.00 H new ATOM 0 HE ARG B 565 31.622 4.001 2.412 1.00 0.00 H new ATOM 0 HH11 ARG B 565 32.468 7.391 1.915 1.00 0.00 H new ATOM 0 HH12 ARG B 565 32.958 7.636 3.595 1.00 0.00 H new ATOM 0 HH21 ARG B 565 32.252 4.321 4.569 1.00 0.00 H new ATOM 0 HH22 ARG B 565 32.837 5.904 5.092 1.00 0.00 H new ATOM 707 N LEU B 566 26.824 2.424 1.472 1.00 0.00 N ATOM 708 CA LEU B 566 25.445 2.316 1.935 1.00 0.00 C ATOM 709 C LEU B 566 25.328 1.294 3.061 1.00 0.00 C ATOM 710 O LEU B 566 24.394 1.342 3.862 1.00 0.00 O ATOM 711 CB LEU B 566 24.526 1.924 0.777 1.00 0.00 C ATOM 712 CG LEU B 566 24.236 3.019 -0.250 1.00 0.00 C ATOM 713 CD1 LEU B 566 23.874 2.408 -1.594 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.119 3.928 0.242 1.00 0.00 C ATOM 0 H LEU B 566 27.007 1.962 0.581 1.00 0.00 H new ATOM 0 HA LEU B 566 25.139 3.289 2.319 1.00 0.00 H new ATOM 0 HB2 LEU B 566 24.971 1.075 0.258 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.578 1.582 1.192 1.00 0.00 H new ATOM 0 HG LEU B 566 25.137 3.619 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU B 566 23.671 3.203 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU B 566 24.704 1.799 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU B 566 22.987 1.784 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU B 566 22.926 4.702 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.214 3.341 0.398 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.416 4.394 1.182 1.00 0.00 H new ATOM 726 N PHE B 567 26.282 0.372 3.118 1.00 0.00 N ATOM 727 CA PHE B 567 26.286 -0.662 4.147 1.00 0.00 C ATOM 728 C PHE B 567 26.219 -0.042 5.540 1.00 0.00 C ATOM 729 O PHE B 567 25.315 -0.322 6.328 1.00 0.00 O ATOM 730 CB PHE B 567 27.540 -1.530 4.023 1.00 0.00 C ATOM 731 CG PHE B 567 27.965 -2.159 5.319 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.081 -2.940 6.047 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.246 -1.969 5.810 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.469 -3.521 7.240 1.00 0.00 C ATOM 735 CE2 PHE B 567 29.639 -2.548 7.002 1.00 0.00 C ATOM 736 CZ PHE B 567 28.749 -3.324 7.718 1.00 0.00 C ATOM 0 H PHE B 567 27.063 0.319 2.464 1.00 0.00 H new ATOM 0 HA PHE B 567 25.405 -1.287 4.003 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.357 -2.316 3.290 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.358 -0.920 3.639 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.078 -3.096 5.678 1.00 0.00 H new ATOM 0 HD2 PHE B 567 29.946 -1.362 5.255 1.00 0.00 H new ATOM 0 HE1 PHE B 567 26.771 -4.128 7.797 1.00 0.00 H new ATOM 0 HE2 PHE B 567 30.641 -2.394 7.373 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.054 -3.776 8.650 1.00 0.00 H new ATOM 746 N PRO B 568 27.199 0.819 5.852 1.00 0.00 N ATOM 747 CA PRO B 568 27.273 1.496 7.150 1.00 0.00 C ATOM 748 C PRO B 568 26.171 2.534 7.327 1.00 0.00 C ATOM 749 O PRO B 568 25.691 2.762 8.438 1.00 0.00 O ATOM 750 CB PRO B 568 28.646 2.173 7.118 1.00 0.00 C ATOM 751 CG PRO B 568 28.940 2.364 5.670 1.00 0.00 C ATOM 752 CD PRO B 568 28.308 1.198 4.962 1.00 0.00 C ATOM 0 HA PRO B 568 27.144 0.801 7.980 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.630 3.125 7.648 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.404 1.554 7.598 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.531 3.308 5.310 1.00 0.00 H new ATOM 0 HG3 PRO B 568 30.015 2.394 5.491 1.00 0.00 H new ATOM 0 HD2 PRO B 568 27.951 1.476 3.970 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.014 0.378 4.828 1.00 0.00 H new ATOM 760 N LEU B 569 25.773 3.161 6.225 1.00 0.00 N ATOM 761 CA LEU B 569 24.725 4.176 6.258 1.00 0.00 C ATOM 762 C LEU B 569 23.422 3.595 6.798 1.00 0.00 C ATOM 763 O LEU B 569 22.872 4.090 7.783 1.00 0.00 O ATOM 764 CB LEU B 569 24.500 4.750 4.858 1.00 0.00 C ATOM 765 CG LEU B 569 25.594 5.677 4.329 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.497 5.809 2.817 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.502 7.044 4.992 1.00 0.00 C ATOM 0 H LEU B 569 26.160 2.985 5.298 1.00 0.00 H new ATOM 0 HA LEU B 569 25.048 4.976 6.924 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.387 3.920 4.161 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.557 5.297 4.859 1.00 0.00 H new ATOM 0 HG LEU B 569 26.562 5.241 4.574 1.00 0.00 H new ATOM 0 HD11 LEU B 569 26.284 6.473 2.458 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.613 4.827 2.358 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.524 6.222 2.549 1.00 0.00 H new ATOM 0 HD21 LEU B 569 26.289 7.691 4.603 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.529 7.487 4.779 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.622 6.934 6.070 1.00 0.00 H new ATOM 779 N ILE B 570 22.935 2.543 6.149 1.00 0.00 N ATOM 780 CA ILE B 570 21.699 1.894 6.567 1.00 0.00 C ATOM 781 C ILE B 570 21.917 1.049 7.817 1.00 0.00 C ATOM 782 O ILE B 570 20.967 0.716 8.526 1.00 0.00 O ATOM 783 CB ILE B 570 21.127 1.000 5.450 1.00 0.00 C ATOM 784 CG1 ILE B 570 20.892 1.821 4.181 1.00 0.00 C ATOM 785 CG2 ILE B 570 19.835 0.341 5.909 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.188 1.061 2.907 1.00 0.00 C ATOM 0 H ILE B 570 23.377 2.122 5.332 1.00 0.00 H new ATOM 0 HA ILE B 570 20.985 2.688 6.788 1.00 0.00 H new ATOM 0 HB ILE B 570 21.851 0.217 5.224 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.855 2.157 4.162 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.516 2.714 4.215 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.443 -0.287 5.109 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.032 -0.272 6.789 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.103 1.109 6.158 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.000 1.704 2.047 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.232 0.748 2.904 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.546 0.182 2.850 1.00 0.00 H new ATOM 798 N GLN B 571 23.173 0.707 8.082 1.00 0.00 N ATOM 799 CA GLN B 571 23.516 -0.099 9.249 1.00 0.00 C ATOM 800 C GLN B 571 23.067 0.587 10.535 1.00 0.00 C ATOM 801 O GLN B 571 22.925 -0.055 11.575 1.00 0.00 O ATOM 802 CB GLN B 571 25.023 -0.355 9.293 1.00 0.00 C ATOM 803 CG GLN B 571 25.504 -0.931 10.615 1.00 0.00 C ATOM 804 CD GLN B 571 25.817 0.141 11.640 1.00 0.00 C ATOM 805 OE1 GLN B 571 26.438 1.156 11.323 1.00 0.00 O ATOM 806 NE2 GLN B 571 25.387 -0.078 12.877 1.00 0.00 N ATOM 0 H GLN B 571 23.970 0.975 7.505 1.00 0.00 H new ATOM 0 HA GLN B 571 22.995 -1.053 9.166 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.290 -1.041 8.489 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.548 0.581 9.102 1.00 0.00 H new ATOM 0 HG2 GLN B 571 24.741 -1.599 11.015 1.00 0.00 H new ATOM 0 HG3 GLN B 571 26.396 -1.534 10.441 1.00 0.00 H new ATOM 0 HE21 GLN B 571 24.876 -0.933 13.095 1.00 0.00 H new ATOM 0 HE22 GLN B 571 25.568 0.609 13.609 1.00 0.00 H new ATOM 815 N ALA B 572 22.846 1.895 10.456 1.00 0.00 N ATOM 816 CA ALA B 572 22.412 2.668 11.613 1.00 0.00 C ATOM 817 C ALA B 572 20.892 2.659 11.740 1.00 0.00 C ATOM 818 O ALA B 572 20.342 3.108 12.745 1.00 0.00 O ATOM 819 CB ALA B 572 22.927 4.096 11.517 1.00 0.00 C ATOM 0 H ALA B 572 22.960 2.442 9.602 1.00 0.00 H new ATOM 0 HA ALA B 572 22.828 2.203 12.507 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.595 4.662 12.388 1.00 0.00 H new ATOM 0 HB2 ALA B 572 24.016 4.088 11.483 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.539 4.563 10.612 1.00 0.00 H new ATOM 825 N MET B 573 20.220 2.146 10.715 1.00 0.00 N ATOM 826 CA MET B 573 18.763 2.079 10.713 1.00 0.00 C ATOM 827 C MET B 573 18.286 0.630 10.721 1.00 0.00 C ATOM 828 O MET B 573 17.592 0.199 11.642 1.00 0.00 O ATOM 829 CB MET B 573 18.199 2.807 9.492 1.00 0.00 C ATOM 830 CG MET B 573 18.755 4.210 9.311 1.00 0.00 C ATOM 831 SD MET B 573 17.680 5.261 8.316 1.00 0.00 S ATOM 832 CE MET B 573 18.041 4.653 6.670 1.00 0.00 C ATOM 0 H MET B 573 20.661 1.771 9.875 1.00 0.00 H new ATOM 0 HA MET B 573 18.400 2.568 11.617 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.415 2.221 8.598 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.114 2.864 9.582 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.900 4.668 10.289 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.736 4.150 8.839 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.451 5.207 5.940 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.101 4.788 6.457 1.00 0.00 H new ATOM 0 HE3 MET B 573 17.791 3.594 6.610 1.00 0.00 H new ATOM 842 N HIS B 574 18.663 -0.118 9.688 1.00 0.00 N ATOM 843 CA HIS B 574 18.273 -1.519 9.576 1.00 0.00 C ATOM 844 C HIS B 574 19.489 -2.402 9.313 1.00 0.00 C ATOM 845 O HIS B 574 19.689 -2.912 8.210 1.00 0.00 O ATOM 846 CB HIS B 574 17.246 -1.697 8.457 1.00 0.00 C ATOM 847 CG HIS B 574 16.008 -0.875 8.643 1.00 0.00 C ATOM 848 ND1 HIS B 574 14.794 -1.416 9.009 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.802 0.456 8.514 1.00 0.00 C ATOM 850 CE1 HIS B 574 13.894 -0.453 9.095 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.480 0.693 8.799 1.00 0.00 N ATOM 0 H HIS B 574 19.238 0.223 8.917 1.00 0.00 H new ATOM 0 HA HIS B 574 17.824 -1.822 10.522 1.00 0.00 H new ATOM 0 HB2 HIS B 574 17.708 -1.433 7.506 1.00 0.00 H new ATOM 0 HB3 HIS B 574 16.968 -2.749 8.395 1.00 0.00 H new ATOM 0 HD2 HIS B 574 16.540 1.195 8.238 1.00 0.00 H new ATOM 0 HE1 HIS B 574 12.855 -0.581 9.362 1.00 0.00 H new ATOM 0 HE2 HIS B 574 14.025 1.606 8.784 1.00 0.00 H new ATOM 859 N PRO B 575 20.322 -2.587 10.348 1.00 0.00 N ATOM 860 CA PRO B 575 21.532 -3.408 10.252 1.00 0.00 C ATOM 861 C PRO B 575 21.216 -4.894 10.114 1.00 0.00 C ATOM 862 O PRO B 575 22.067 -5.686 9.708 1.00 0.00 O ATOM 863 CB PRO B 575 22.251 -3.135 11.576 1.00 0.00 C ATOM 864 CG PRO B 575 21.170 -2.735 12.519 1.00 0.00 C ATOM 865 CD PRO B 575 20.146 -2.010 11.691 1.00 0.00 C ATOM 0 HA PRO B 575 22.123 -3.161 9.370 1.00 0.00 H new ATOM 0 HB2 PRO B 575 22.778 -4.021 11.930 1.00 0.00 H new ATOM 0 HB3 PRO B 575 22.994 -2.345 11.467 1.00 0.00 H new ATOM 0 HG2 PRO B 575 20.733 -3.608 13.004 1.00 0.00 H new ATOM 0 HG3 PRO B 575 21.559 -2.093 13.309 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.136 -2.172 12.069 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.318 -0.934 11.692 1.00 0.00 H new ATOM 873 N THR B 576 19.986 -5.266 10.455 1.00 0.00 N ATOM 874 CA THR B 576 19.558 -6.657 10.370 1.00 0.00 C ATOM 875 C THR B 576 19.759 -7.209 8.963 1.00 0.00 C ATOM 876 O THR B 576 20.201 -8.345 8.789 1.00 0.00 O ATOM 877 CB THR B 576 18.077 -6.813 10.763 1.00 0.00 C ATOM 878 OG1 THR B 576 17.839 -6.195 12.033 1.00 0.00 O ATOM 879 CG2 THR B 576 17.686 -8.282 10.827 1.00 0.00 C ATOM 0 H THR B 576 19.269 -4.624 10.792 1.00 0.00 H new ATOM 0 HA THR B 576 20.174 -7.221 11.070 1.00 0.00 H new ATOM 0 HB THR B 576 17.469 -6.324 10.002 1.00 0.00 H new ATOM 0 HG1 THR B 576 16.895 -6.297 12.275 1.00 0.00 H new ATOM 0 HG21 THR B 576 16.636 -8.367 11.106 1.00 0.00 H new ATOM 0 HG22 THR B 576 17.840 -8.742 9.851 1.00 0.00 H new ATOM 0 HG23 THR B 576 18.301 -8.790 11.569 1.00 0.00 H new ATOM 887 N LEU B 577 19.434 -6.399 7.962 1.00 0.00 N ATOM 888 CA LEU B 577 19.580 -6.806 6.569 1.00 0.00 C ATOM 889 C LEU B 577 20.081 -5.648 5.713 1.00 0.00 C ATOM 890 O LEU B 577 19.707 -5.518 4.547 1.00 0.00 O ATOM 891 CB LEU B 577 18.245 -7.319 6.024 1.00 0.00 C ATOM 892 CG LEU B 577 17.381 -8.113 7.004 1.00 0.00 C ATOM 893 CD1 LEU B 577 16.461 -7.183 7.780 1.00 0.00 C ATOM 894 CD2 LEU B 577 16.574 -9.171 6.266 1.00 0.00 C ATOM 0 H LEU B 577 19.067 -5.456 8.089 1.00 0.00 H new ATOM 0 HA LEU B 577 20.315 -7.609 6.526 1.00 0.00 H new ATOM 0 HB2 LEU B 577 17.667 -6.465 5.671 1.00 0.00 H new ATOM 0 HB3 LEU B 577 18.447 -7.948 5.157 1.00 0.00 H new ATOM 0 HG LEU B 577 18.038 -8.615 7.714 1.00 0.00 H new ATOM 0 HD11 LEU B 577 15.854 -7.766 8.472 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.059 -6.463 8.339 1.00 0.00 H new ATOM 0 HD13 LEU B 577 15.810 -6.652 7.085 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.965 -9.727 6.979 1.00 0.00 H new ATOM 0 HD22 LEU B 577 15.927 -8.689 5.533 1.00 0.00 H new ATOM 0 HD23 LEU B 577 17.252 -9.856 5.757 1.00 0.00 H new ATOM 906 N ALA B 578 20.931 -4.810 6.298 1.00 0.00 N ATOM 907 CA ALA B 578 21.487 -3.666 5.587 1.00 0.00 C ATOM 908 C ALA B 578 22.064 -4.084 4.239 1.00 0.00 C ATOM 909 O ALA B 578 21.662 -3.574 3.195 1.00 0.00 O ATOM 910 CB ALA B 578 22.554 -2.987 6.433 1.00 0.00 C ATOM 0 H ALA B 578 21.249 -4.902 7.263 1.00 0.00 H new ATOM 0 HA ALA B 578 20.680 -2.957 5.402 1.00 0.00 H new ATOM 0 HB1 ALA B 578 22.961 -2.134 5.890 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.113 -2.644 7.369 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.354 -3.696 6.647 1.00 0.00 H new ATOM 916 N GLY B 579 23.012 -5.017 4.270 1.00 0.00 N ATOM 917 CA GLY B 579 23.630 -5.487 3.044 1.00 0.00 C ATOM 918 C GLY B 579 22.613 -5.987 2.037 1.00 0.00 C ATOM 919 O GLY B 579 22.731 -5.720 0.841 1.00 0.00 O ATOM 0 H GLY B 579 23.362 -5.455 5.122 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.209 -4.678 2.599 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.330 -6.289 3.278 1.00 0.00 H new ATOM 923 N LYS B 580 21.613 -6.715 2.520 1.00 0.00 N ATOM 924 CA LYS B 580 20.571 -7.255 1.655 1.00 0.00 C ATOM 925 C LYS B 580 19.875 -6.139 0.880 1.00 0.00 C ATOM 926 O LYS B 580 19.913 -6.109 -0.350 1.00 0.00 O ATOM 927 CB LYS B 580 19.544 -8.032 2.481 1.00 0.00 C ATOM 928 CG LYS B 580 19.868 -9.510 2.619 1.00 0.00 C ATOM 929 CD LYS B 580 21.206 -9.726 3.307 1.00 0.00 C ATOM 930 CE LYS B 580 21.151 -9.319 4.772 1.00 0.00 C ATOM 931 NZ LYS B 580 22.091 -10.120 5.605 1.00 0.00 N ATOM 0 H LYS B 580 21.502 -6.945 3.507 1.00 0.00 H new ATOM 0 HA LYS B 580 21.041 -7.932 0.942 1.00 0.00 H new ATOM 0 HB2 LYS B 580 19.479 -7.589 3.475 1.00 0.00 H new ATOM 0 HB3 LYS B 580 18.563 -7.925 2.019 1.00 0.00 H new ATOM 0 HG2 LYS B 580 19.081 -10.004 3.189 1.00 0.00 H new ATOM 0 HG3 LYS B 580 19.886 -9.973 1.632 1.00 0.00 H new ATOM 0 HD2 LYS B 580 21.491 -10.775 3.230 1.00 0.00 H new ATOM 0 HD3 LYS B 580 21.977 -9.148 2.796 1.00 0.00 H new ATOM 0 HE2 LYS B 580 21.395 -8.261 4.865 1.00 0.00 H new ATOM 0 HE3 LYS B 580 20.135 -9.446 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 22.024 -9.813 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 21.843 -11.128 5.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 23.063 -9.979 5.264 1.00 0.00 H new ATOM 945 N ILE B 581 19.244 -5.225 1.608 1.00 0.00 N ATOM 946 CA ILE B 581 18.543 -4.107 0.988 1.00 0.00 C ATOM 947 C ILE B 581 19.509 -3.207 0.226 1.00 0.00 C ATOM 948 O ILE B 581 19.116 -2.501 -0.704 1.00 0.00 O ATOM 949 CB ILE B 581 17.791 -3.264 2.036 1.00 0.00 C ATOM 950 CG1 ILE B 581 18.758 -2.771 3.114 1.00 0.00 C ATOM 951 CG2 ILE B 581 16.663 -4.073 2.657 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.065 -2.244 4.351 1.00 0.00 C ATOM 0 H ILE B 581 19.203 -5.236 2.627 1.00 0.00 H new ATOM 0 HA ILE B 581 17.822 -4.534 0.291 1.00 0.00 H new ATOM 0 HB ILE B 581 17.357 -2.396 1.539 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.420 -3.589 3.399 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.385 -1.984 2.696 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.142 -3.463 3.395 1.00 0.00 H new ATOM 0 HG22 ILE B 581 15.963 -4.378 1.879 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.074 -4.958 3.143 1.00 0.00 H new ATOM 0 HD11 ILE B 581 18.811 -1.912 5.073 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.424 -1.405 4.080 1.00 0.00 H new ATOM 0 HD13 ILE B 581 17.459 -3.035 4.793 1.00 0.00 H new ATOM 964 N THR B 582 20.777 -3.238 0.624 1.00 0.00 N ATOM 965 CA THR B 582 21.801 -2.426 -0.022 1.00 0.00 C ATOM 966 C THR B 582 22.070 -2.909 -1.443 1.00 0.00 C ATOM 967 O THR B 582 22.221 -2.107 -2.363 1.00 0.00 O ATOM 968 CB THR B 582 23.119 -2.446 0.774 1.00 0.00 C ATOM 969 OG1 THR B 582 22.967 -1.712 1.994 1.00 0.00 O ATOM 970 CG2 THR B 582 24.255 -1.850 -0.044 1.00 0.00 C ATOM 0 H THR B 582 21.119 -3.817 1.391 1.00 0.00 H new ATOM 0 HA THR B 582 21.421 -1.405 -0.054 1.00 0.00 H new ATOM 0 HB THR B 582 23.363 -3.483 1.003 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.314 -2.164 2.568 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.175 -1.875 0.539 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.388 -2.429 -0.958 1.00 0.00 H new ATOM 0 HG23 THR B 582 24.016 -0.818 -0.301 1.00 0.00 H new ATOM 978 N GLY B 583 22.129 -4.226 -1.614 1.00 0.00 N ATOM 979 CA GLY B 583 22.380 -4.793 -2.926 1.00 0.00 C ATOM 980 C GLY B 583 21.287 -4.457 -3.921 1.00 0.00 C ATOM 981 O GLY B 583 21.568 -4.091 -5.062 1.00 0.00 O ATOM 0 H GLY B 583 22.007 -4.910 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.335 -4.424 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.468 -5.876 -2.840 1.00 0.00 H new ATOM 985 N MET B 584 20.037 -4.584 -3.489 1.00 0.00 N ATOM 986 CA MET B 584 18.897 -4.291 -4.352 1.00 0.00 C ATOM 987 C MET B 584 18.820 -2.800 -4.663 1.00 0.00 C ATOM 988 O MET B 584 18.675 -2.404 -5.821 1.00 0.00 O ATOM 989 CB MET B 584 17.598 -4.754 -3.690 1.00 0.00 C ATOM 990 CG MET B 584 17.612 -6.218 -3.280 1.00 0.00 C ATOM 991 SD MET B 584 17.103 -6.464 -1.568 1.00 0.00 S ATOM 992 CE MET B 584 15.325 -6.572 -1.755 1.00 0.00 C ATOM 0 H MET B 584 19.787 -4.887 -2.548 1.00 0.00 H new ATOM 0 HA MET B 584 19.032 -4.832 -5.288 1.00 0.00 H new ATOM 0 HB2 MET B 584 17.410 -4.140 -2.809 1.00 0.00 H new ATOM 0 HB3 MET B 584 16.769 -4.586 -4.378 1.00 0.00 H new ATOM 0 HG2 MET B 584 16.949 -6.782 -3.937 1.00 0.00 H new ATOM 0 HG3 MET B 584 18.615 -6.621 -3.418 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.845 -5.848 -1.097 1.00 0.00 H new ATOM 0 HE2 MET B 584 15.054 -6.358 -2.789 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.992 -7.576 -1.494 1.00 0.00 H new ATOM 1002 N LEU B 585 18.917 -1.977 -3.625 1.00 0.00 N ATOM 1003 CA LEU B 585 18.858 -0.529 -3.788 1.00 0.00 C ATOM 1004 C LEU B 585 19.949 -0.043 -4.737 1.00 0.00 C ATOM 1005 O LEU B 585 19.665 0.599 -5.750 1.00 0.00 O ATOM 1006 CB LEU B 585 19.001 0.163 -2.432 1.00 0.00 C ATOM 1007 CG LEU B 585 17.696 0.573 -1.747 1.00 0.00 C ATOM 1008 CD1 LEU B 585 16.715 -0.588 -1.730 1.00 0.00 C ATOM 1009 CD2 LEU B 585 17.968 1.066 -0.333 1.00 0.00 C ATOM 0 H LEU B 585 19.037 -2.288 -2.661 1.00 0.00 H new ATOM 0 HA LEU B 585 17.889 -0.276 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.546 -0.503 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.614 1.054 -2.564 1.00 0.00 H new ATOM 0 HG LEU B 585 17.250 1.390 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU B 585 15.793 -0.278 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU B 585 16.496 -0.894 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU B 585 17.152 -1.425 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU B 585 17.029 1.353 0.139 1.00 0.00 H new ATOM 0 HD22 LEU B 585 18.437 0.270 0.246 1.00 0.00 H new ATOM 0 HD23 LEU B 585 18.634 1.928 -0.370 1.00 0.00 H new ATOM 1021 N LEU B 586 21.197 -0.354 -4.405 1.00 0.00 N ATOM 1022 CA LEU B 586 22.331 0.048 -5.229 1.00 0.00 C ATOM 1023 C LEU B 586 22.205 -0.513 -6.641 1.00 0.00 C ATOM 1024 O LEU B 586 22.732 0.058 -7.595 1.00 0.00 O ATOM 1025 CB LEU B 586 23.641 -0.425 -4.595 1.00 0.00 C ATOM 1026 CG LEU B 586 24.130 -1.810 -5.020 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.981 -1.713 -6.276 1.00 0.00 C ATOM 1028 CD2 LEU B 586 24.912 -2.468 -3.892 1.00 0.00 C ATOM 0 H LEU B 586 21.449 -0.884 -3.571 1.00 0.00 H new ATOM 0 HA LEU B 586 22.336 1.136 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.419 0.301 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.519 -0.421 -3.512 1.00 0.00 H new ATOM 0 HG LEU B 586 23.261 -2.429 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.320 -2.708 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU B 586 24.389 -1.284 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.845 -1.077 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.253 -3.453 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.774 -1.851 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.270 -2.572 -3.017 1.00 0.00 H new ATOM 1040 N GLU B 587 21.501 -1.633 -6.767 1.00 0.00 N ATOM 1041 CA GLU B 587 21.304 -2.270 -8.064 1.00 0.00 C ATOM 1042 C GLU B 587 20.261 -1.520 -8.886 1.00 0.00 C ATOM 1043 O GLU B 587 20.199 -1.661 -10.107 1.00 0.00 O ATOM 1044 CB GLU B 587 20.875 -3.727 -7.881 1.00 0.00 C ATOM 1045 CG GLU B 587 20.477 -4.411 -9.179 1.00 0.00 C ATOM 1046 CD GLU B 587 20.615 -5.920 -9.108 1.00 0.00 C ATOM 1047 OE1 GLU B 587 20.633 -6.462 -7.983 1.00 0.00 O ATOM 1048 OE2 GLU B 587 20.703 -6.559 -10.178 1.00 0.00 O ATOM 0 H GLU B 587 21.058 -2.118 -5.987 1.00 0.00 H new ATOM 0 HA GLU B 587 22.252 -2.243 -8.601 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.693 -4.283 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU B 587 20.035 -3.766 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.445 -4.155 -9.419 1.00 0.00 H new ATOM 0 HG3 GLU B 587 21.097 -4.031 -9.991 1.00 0.00 H new ATOM 1055 N ILE B 588 19.442 -0.723 -8.207 1.00 0.00 N ATOM 1056 CA ILE B 588 18.402 0.050 -8.873 1.00 0.00 C ATOM 1057 C ILE B 588 18.968 0.830 -10.055 1.00 0.00 C ATOM 1058 O ILE B 588 18.586 0.602 -11.203 1.00 0.00 O ATOM 1059 CB ILE B 588 17.721 1.033 -7.903 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.986 0.268 -6.800 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.760 1.941 -8.655 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.378 1.165 -5.744 1.00 0.00 C ATOM 0 H ILE B 588 19.479 -0.596 -7.196 1.00 0.00 H new ATOM 0 HA ILE B 588 17.661 -0.664 -9.233 1.00 0.00 H new ATOM 0 HB ILE B 588 18.489 1.653 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE B 588 16.198 -0.335 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.681 -0.422 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE B 588 16.287 2.630 -7.955 1.00 0.00 H new ATOM 0 HG22 ILE B 588 17.308 2.508 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.995 1.337 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.873 0.555 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE B 588 17.164 1.749 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.658 1.838 -6.209 1.00 0.00 H new ATOM 1074 N ASP B 589 19.882 1.749 -9.766 1.00 0.00 N ATOM 1075 CA ASP B 589 20.504 2.562 -10.805 1.00 0.00 C ATOM 1076 C ASP B 589 21.427 3.611 -10.194 1.00 0.00 C ATOM 1077 O ASP B 589 21.046 4.322 -9.265 1.00 0.00 O ATOM 1078 CB ASP B 589 19.434 3.242 -11.660 1.00 0.00 C ATOM 1079 CG ASP B 589 19.587 2.930 -13.135 1.00 0.00 C ATOM 1080 OD1 ASP B 589 20.637 3.283 -13.711 1.00 0.00 O ATOM 1081 OD2 ASP B 589 18.656 2.332 -13.715 1.00 0.00 O ATOM 0 H ASP B 589 20.209 1.950 -8.821 1.00 0.00 H new ATOM 0 HA ASP B 589 21.100 1.904 -11.438 1.00 0.00 H new ATOM 0 HB2 ASP B 589 18.448 2.922 -11.324 1.00 0.00 H new ATOM 0 HB3 ASP B 589 19.487 4.321 -11.512 1.00 0.00 H new ATOM 1086 N ASN B 590 22.644 3.701 -10.722 1.00 0.00 N ATOM 1087 CA ASN B 590 23.623 4.663 -10.227 1.00 0.00 C ATOM 1088 C ASN B 590 23.161 6.093 -10.491 1.00 0.00 C ATOM 1089 O ASN B 590 23.519 7.016 -9.759 1.00 0.00 O ATOM 1090 CB ASN B 590 24.982 4.424 -10.888 1.00 0.00 C ATOM 1091 CG ASN B 590 25.387 2.963 -10.865 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.829 2.141 -11.593 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.362 2.632 -10.027 1.00 0.00 N ATOM 0 H ASN B 590 22.976 3.120 -11.492 1.00 0.00 H new ATOM 0 HA ASN B 590 23.721 4.524 -9.150 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.947 4.772 -11.920 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.741 5.017 -10.377 1.00 0.00 H new ATOM 0 HD21 ASN B 590 26.677 1.664 -9.968 1.00 0.00 H new ATOM 0 HD22 ASN B 590 26.796 3.346 -9.442 1.00 0.00 H new ATOM 1100 N SER B 591 22.364 6.268 -11.539 1.00 0.00 N ATOM 1101 CA SER B 591 21.855 7.586 -11.902 1.00 0.00 C ATOM 1102 C SER B 591 21.011 8.171 -10.774 1.00 0.00 C ATOM 1103 O SER B 591 21.244 9.295 -10.329 1.00 0.00 O ATOM 1104 CB SER B 591 21.025 7.501 -13.184 1.00 0.00 C ATOM 1105 OG SER B 591 20.292 8.695 -13.397 1.00 0.00 O ATOM 0 H SER B 591 22.056 5.514 -12.153 1.00 0.00 H new ATOM 0 HA SER B 591 22.708 8.243 -12.073 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.681 7.317 -14.034 1.00 0.00 H new ATOM 0 HB3 SER B 591 20.339 6.656 -13.122 1.00 0.00 H new ATOM 0 HG SER B 591 19.771 8.616 -14.223 1.00 0.00 H new ATOM 1111 N GLU B 592 20.029 7.400 -10.317 1.00 0.00 N ATOM 1112 CA GLU B 592 19.149 7.843 -9.241 1.00 0.00 C ATOM 1113 C GLU B 592 19.884 7.848 -7.904 1.00 0.00 C ATOM 1114 O GLU B 592 19.789 8.804 -7.134 1.00 0.00 O ATOM 1115 CB GLU B 592 17.918 6.938 -9.155 1.00 0.00 C ATOM 1116 CG GLU B 592 17.028 7.003 -10.386 1.00 0.00 C ATOM 1117 CD GLU B 592 15.980 8.095 -10.291 1.00 0.00 C ATOM 1118 OE1 GLU B 592 15.295 8.170 -9.250 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.845 8.873 -11.258 1.00 0.00 O ATOM 0 H GLU B 592 19.823 6.467 -10.674 1.00 0.00 H new ATOM 0 HA GLU B 592 18.829 8.861 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU B 592 18.244 5.909 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU B 592 17.333 7.217 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.646 7.173 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU B 592 16.534 6.041 -10.524 1.00 0.00 H new ATOM 1126 N LEU B 593 20.617 6.773 -7.634 1.00 0.00 N ATOM 1127 CA LEU B 593 21.368 6.651 -6.390 1.00 0.00 C ATOM 1128 C LEU B 593 22.244 7.879 -6.161 1.00 0.00 C ATOM 1129 O LEU B 593 22.314 8.407 -5.051 1.00 0.00 O ATOM 1130 CB LEU B 593 22.234 5.390 -6.415 1.00 0.00 C ATOM 1131 CG LEU B 593 21.481 4.060 -6.422 1.00 0.00 C ATOM 1132 CD1 LEU B 593 22.332 2.968 -7.052 1.00 0.00 C ATOM 1133 CD2 LEU B 593 21.072 3.670 -5.009 1.00 0.00 C ATOM 0 H LEU B 593 20.707 5.973 -8.261 1.00 0.00 H new ATOM 0 HA LEU B 593 20.655 6.578 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.871 5.429 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.892 5.408 -5.546 1.00 0.00 H new ATOM 0 HG LEU B 593 20.578 4.180 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.779 2.028 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.574 3.242 -8.079 1.00 0.00 H new ATOM 0 HD13 LEU B 593 23.253 2.850 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.537 2.721 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.962 3.569 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.424 4.441 -4.592 1.00 0.00 H new ATOM 1145 N LEU B 594 22.910 8.330 -7.219 1.00 0.00 N ATOM 1146 CA LEU B 594 23.780 9.497 -7.135 1.00 0.00 C ATOM 1147 C LEU B 594 23.068 10.659 -6.449 1.00 0.00 C ATOM 1148 O LEU B 594 23.691 11.454 -5.745 1.00 0.00 O ATOM 1149 CB LEU B 594 24.238 9.918 -8.532 1.00 0.00 C ATOM 1150 CG LEU B 594 25.523 9.266 -9.043 1.00 0.00 C ATOM 1151 CD1 LEU B 594 25.828 9.724 -10.460 1.00 0.00 C ATOM 1152 CD2 LEU B 594 26.687 9.584 -8.115 1.00 0.00 C ATOM 0 H LEU B 594 22.864 7.905 -8.145 1.00 0.00 H new ATOM 0 HA LEU B 594 24.652 9.227 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU B 594 23.437 9.696 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU B 594 24.376 10.999 -8.536 1.00 0.00 H new ATOM 0 HG LEU B 594 25.379 8.186 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU B 594 26.746 9.249 -10.806 1.00 0.00 H new ATOM 0 HD12 LEU B 594 25.005 9.445 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU B 594 25.952 10.807 -10.474 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.594 9.112 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU B 594 26.832 10.663 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU B 594 26.470 9.204 -7.116 1.00 0.00 H new ATOM 1164 N HIS B 595 21.759 10.750 -6.658 1.00 0.00 N ATOM 1165 CA HIS B 595 20.961 11.813 -6.057 1.00 0.00 C ATOM 1166 C HIS B 595 20.381 11.367 -4.719 1.00 0.00 C ATOM 1167 O HIS B 595 20.124 12.187 -3.838 1.00 0.00 O ATOM 1168 CB HIS B 595 19.833 12.229 -7.002 1.00 0.00 C ATOM 1169 CG HIS B 595 19.376 13.641 -6.803 1.00 0.00 C ATOM 1170 ND1 HIS B 595 18.099 14.068 -7.104 1.00 0.00 N ATOM 1171 CD2 HIS B 595 20.032 14.726 -6.330 1.00 0.00 C ATOM 1172 CE1 HIS B 595 17.991 15.355 -6.825 1.00 0.00 C ATOM 1173 NE2 HIS B 595 19.150 15.779 -6.354 1.00 0.00 N ATOM 0 H HIS B 595 21.228 10.101 -7.239 1.00 0.00 H new ATOM 0 HA HIS B 595 21.613 12.669 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS B 595 20.169 12.106 -8.032 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.986 11.558 -6.861 1.00 0.00 H new ATOM 0 HD2 HIS B 595 21.058 14.758 -5.996 1.00 0.00 H new ATOM 0 HE1 HIS B 595 17.105 15.958 -6.959 1.00 0.00 H new ATOM 0 HE2 HIS B 595 19.356 16.733 -6.057 1.00 0.00 H new ATOM 1181 N MET B 596 20.175 10.062 -4.574 1.00 0.00 N ATOM 1182 CA MET B 596 19.626 9.507 -3.342 1.00 0.00 C ATOM 1183 C MET B 596 20.613 9.660 -2.189 1.00 0.00 C ATOM 1184 O MET B 596 20.222 9.668 -1.021 1.00 0.00 O ATOM 1185 CB MET B 596 19.274 8.031 -3.535 1.00 0.00 C ATOM 1186 CG MET B 596 18.140 7.800 -4.520 1.00 0.00 C ATOM 1187 SD MET B 596 17.970 6.067 -4.990 1.00 0.00 S ATOM 1188 CE MET B 596 17.584 5.323 -3.408 1.00 0.00 C ATOM 0 H MET B 596 20.380 9.369 -5.294 1.00 0.00 H new ATOM 0 HA MET B 596 18.720 10.060 -3.096 1.00 0.00 H new ATOM 0 HB2 MET B 596 20.159 7.497 -3.881 1.00 0.00 H new ATOM 0 HB3 MET B 596 19.000 7.602 -2.571 1.00 0.00 H new ATOM 0 HG2 MET B 596 17.205 8.146 -4.079 1.00 0.00 H new ATOM 0 HG3 MET B 596 18.313 8.400 -5.414 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.328 4.273 -3.552 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.449 5.398 -2.750 1.00 0.00 H new ATOM 0 HE3 MET B 596 16.739 5.844 -2.957 1.00 0.00 H new ATOM 1198 N LEU B 597 21.892 9.783 -2.524 1.00 0.00 N ATOM 1199 CA LEU B 597 22.935 9.936 -1.515 1.00 0.00 C ATOM 1200 C LEU B 597 22.561 11.014 -0.504 1.00 0.00 C ATOM 1201 O LEU B 597 22.558 10.772 0.703 1.00 0.00 O ATOM 1202 CB LEU B 597 24.268 10.285 -2.181 1.00 0.00 C ATOM 1203 CG LEU B 597 24.658 9.434 -3.389 1.00 0.00 C ATOM 1204 CD1 LEU B 597 26.090 9.728 -3.809 1.00 0.00 C ATOM 1205 CD2 LEU B 597 24.485 7.954 -3.078 1.00 0.00 C ATOM 0 H LEU B 597 22.232 9.780 -3.486 1.00 0.00 H new ATOM 0 HA LEU B 597 23.037 8.988 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU B 597 24.233 11.329 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU B 597 25.057 10.202 -1.434 1.00 0.00 H new ATOM 0 HG LEU B 597 23.998 9.690 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.350 9.113 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU B 597 26.183 10.781 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.765 9.501 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.767 7.364 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU B 597 25.120 7.683 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU B 597 23.443 7.754 -2.827 1.00 0.00 H new ATOM 1217 N GLU B 598 22.244 12.204 -1.005 1.00 0.00 N ATOM 1218 CA GLU B 598 21.866 13.319 -0.143 1.00 0.00 C ATOM 1219 C GLU B 598 20.349 13.453 -0.062 1.00 0.00 C ATOM 1220 O GLU B 598 19.826 14.521 0.257 1.00 0.00 O ATOM 1221 CB GLU B 598 22.478 14.622 -0.661 1.00 0.00 C ATOM 1222 CG GLU B 598 21.790 15.167 -1.902 1.00 0.00 C ATOM 1223 CD GLU B 598 22.590 16.262 -2.579 1.00 0.00 C ATOM 1224 OE1 GLU B 598 22.947 17.246 -1.897 1.00 0.00 O ATOM 1225 OE2 GLU B 598 22.860 16.135 -3.792 1.00 0.00 O ATOM 0 H GLU B 598 22.241 12.421 -2.002 1.00 0.00 H new ATOM 0 HA GLU B 598 22.249 13.119 0.858 1.00 0.00 H new ATOM 0 HB2 GLU B 598 22.434 15.373 0.128 1.00 0.00 H new ATOM 0 HB3 GLU B 598 23.532 14.455 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU B 598 21.625 14.353 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU B 598 20.809 15.555 -1.628 1.00 0.00 H new ATOM 1232 N SER B 599 19.647 12.363 -0.354 1.00 0.00 N ATOM 1233 CA SER B 599 18.189 12.359 -0.319 1.00 0.00 C ATOM 1234 C SER B 599 17.675 11.437 0.782 1.00 0.00 C ATOM 1235 O SER B 599 17.298 10.290 0.541 1.00 0.00 O ATOM 1236 CB SER B 599 17.626 11.920 -1.672 1.00 0.00 C ATOM 1237 OG SER B 599 16.341 12.475 -1.894 1.00 0.00 O ATOM 0 H SER B 599 20.065 11.471 -0.618 1.00 0.00 H new ATOM 0 HA SER B 599 17.853 13.374 -0.106 1.00 0.00 H new ATOM 0 HB2 SER B 599 18.302 12.230 -2.469 1.00 0.00 H new ATOM 0 HB3 SER B 599 17.567 10.832 -1.709 1.00 0.00 H new ATOM 0 HG SER B 599 16.004 12.181 -2.766 1.00 0.00 H new ATOM 1243 N PRO B 600 17.658 11.949 2.022 1.00 0.00 N ATOM 1244 CA PRO B 600 17.192 11.190 3.186 1.00 0.00 C ATOM 1245 C PRO B 600 15.686 10.953 3.158 1.00 0.00 C ATOM 1246 O PRO B 600 15.152 10.204 3.976 1.00 0.00 O ATOM 1247 CB PRO B 600 17.571 12.085 4.368 1.00 0.00 C ATOM 1248 CG PRO B 600 17.618 13.462 3.801 1.00 0.00 C ATOM 1249 CD PRO B 600 18.093 13.309 2.383 1.00 0.00 C ATOM 0 HA PRO B 600 17.635 10.195 3.228 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.837 12.012 5.171 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.534 11.797 4.789 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.635 13.932 3.835 1.00 0.00 H new ATOM 0 HG3 PRO B 600 18.295 14.097 4.373 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.651 14.059 1.728 1.00 0.00 H new ATOM 0 HD3 PRO B 600 19.175 13.418 2.308 1.00 0.00 H new ATOM 1257 N GLU B 601 15.008 11.594 2.212 1.00 0.00 N ATOM 1258 CA GLU B 601 13.563 11.452 2.079 1.00 0.00 C ATOM 1259 C GLU B 601 13.212 10.254 1.202 1.00 0.00 C ATOM 1260 O GLU B 601 12.119 9.696 1.303 1.00 0.00 O ATOM 1261 CB GLU B 601 12.955 12.726 1.488 1.00 0.00 C ATOM 1262 CG GLU B 601 13.516 13.092 0.124 1.00 0.00 C ATOM 1263 CD GLU B 601 12.821 14.293 -0.489 1.00 0.00 C ATOM 1264 OE1 GLU B 601 12.372 15.172 0.276 1.00 0.00 O ATOM 1265 OE2 GLU B 601 12.727 14.354 -1.732 1.00 0.00 O ATOM 0 H GLU B 601 15.436 12.217 1.527 1.00 0.00 H new ATOM 0 HA GLU B 601 13.147 11.287 3.073 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.876 12.599 1.405 1.00 0.00 H new ATOM 0 HB3 GLU B 601 13.127 13.554 2.176 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.581 13.302 0.218 1.00 0.00 H new ATOM 0 HG3 GLU B 601 13.417 12.238 -0.546 1.00 0.00 H new ATOM 1272 N SER B 602 14.147 9.865 0.341 1.00 0.00 N ATOM 1273 CA SER B 602 13.936 8.736 -0.558 1.00 0.00 C ATOM 1274 C SER B 602 14.644 7.488 -0.038 1.00 0.00 C ATOM 1275 O SER B 602 14.114 6.380 -0.122 1.00 0.00 O ATOM 1276 CB SER B 602 14.439 9.074 -1.963 1.00 0.00 C ATOM 1277 OG SER B 602 14.385 7.940 -2.810 1.00 0.00 O ATOM 0 H SER B 602 15.058 10.315 0.247 1.00 0.00 H new ATOM 0 HA SER B 602 12.866 8.534 -0.602 1.00 0.00 H new ATOM 0 HB2 SER B 602 13.835 9.877 -2.386 1.00 0.00 H new ATOM 0 HB3 SER B 602 15.464 9.442 -1.907 1.00 0.00 H new ATOM 0 HG SER B 602 14.710 8.182 -3.702 1.00 0.00 H new ATOM 1283 N LEU B 603 15.844 7.678 0.499 1.00 0.00 N ATOM 1284 CA LEU B 603 16.626 6.568 1.033 1.00 0.00 C ATOM 1285 C LEU B 603 15.790 5.722 1.988 1.00 0.00 C ATOM 1286 O LEU B 603 15.555 4.539 1.741 1.00 0.00 O ATOM 1287 CB LEU B 603 17.868 7.095 1.754 1.00 0.00 C ATOM 1288 CG LEU B 603 18.794 6.038 2.357 1.00 0.00 C ATOM 1289 CD1 LEU B 603 19.295 5.090 1.278 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.962 6.698 3.075 1.00 0.00 C ATOM 0 H LEU B 603 16.296 8.589 0.576 1.00 0.00 H new ATOM 0 HA LEU B 603 16.937 5.940 0.198 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.445 7.695 1.050 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.544 7.763 2.552 1.00 0.00 H new ATOM 0 HG LEU B 603 18.227 5.459 3.086 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.953 4.345 1.725 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.447 4.591 0.809 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.845 5.654 0.525 1.00 0.00 H new ATOM 0 HD21 LEU B 603 20.610 5.930 3.498 1.00 0.00 H new ATOM 0 HD22 LEU B 603 20.529 7.303 2.367 1.00 0.00 H new ATOM 0 HD23 LEU B 603 19.584 7.335 3.875 1.00 0.00 H new ATOM 1302 N ARG B 604 15.343 6.337 3.078 1.00 0.00 N ATOM 1303 CA ARG B 604 14.532 5.641 4.069 1.00 0.00 C ATOM 1304 C ARG B 604 13.346 4.944 3.409 1.00 0.00 C ATOM 1305 O ARG B 604 12.910 3.883 3.855 1.00 0.00 O ATOM 1306 CB ARG B 604 14.034 6.622 5.132 1.00 0.00 C ATOM 1307 CG ARG B 604 12.896 7.510 4.656 1.00 0.00 C ATOM 1308 CD ARG B 604 11.541 6.897 4.974 1.00 0.00 C ATOM 1309 NE ARG B 604 10.538 7.232 3.967 1.00 0.00 N ATOM 1310 CZ ARG B 604 9.268 6.852 4.040 1.00 0.00 C ATOM 1311 NH1 ARG B 604 8.846 6.129 5.068 1.00 0.00 N ATOM 1312 NH2 ARG B 604 8.415 7.196 3.083 1.00 0.00 N ATOM 0 H ARG B 604 15.529 7.316 3.297 1.00 0.00 H new ATOM 0 HA ARG B 604 15.156 4.885 4.546 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.704 6.061 6.006 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.865 7.251 5.452 1.00 0.00 H new ATOM 0 HG2 ARG B 604 12.974 8.489 5.130 1.00 0.00 H new ATOM 0 HG3 ARG B 604 12.982 7.668 3.581 1.00 0.00 H new ATOM 0 HD2 ARG B 604 11.640 5.814 5.040 1.00 0.00 H new ATOM 0 HD3 ARG B 604 11.205 7.247 5.950 1.00 0.00 H new ATOM 0 HE ARG B 604 10.829 7.789 3.163 1.00 0.00 H new ATOM 0 HH11 ARG B 604 9.498 5.863 5.806 1.00 0.00 H new ATOM 0 HH12 ARG B 604 7.870 5.839 5.121 1.00 0.00 H new ATOM 0 HH21 ARG B 604 8.735 7.753 2.291 1.00 0.00 H new ATOM 0 HH22 ARG B 604 7.439 6.904 3.140 1.00 0.00 H new ATOM 1326 N SER B 605 12.828 5.549 2.345 1.00 0.00 N ATOM 1327 CA SER B 605 11.690 4.989 1.626 1.00 0.00 C ATOM 1328 C SER B 605 12.040 3.630 1.028 1.00 0.00 C ATOM 1329 O SER B 605 11.346 2.639 1.258 1.00 0.00 O ATOM 1330 CB SER B 605 11.238 5.945 0.520 1.00 0.00 C ATOM 1331 OG SER B 605 9.833 5.893 0.343 1.00 0.00 O ATOM 0 H SER B 605 13.178 6.427 1.962 1.00 0.00 H new ATOM 0 HA SER B 605 10.874 4.854 2.336 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.539 6.963 0.769 1.00 0.00 H new ATOM 0 HB3 SER B 605 11.735 5.686 -0.415 1.00 0.00 H new ATOM 0 HG SER B 605 9.570 6.514 -0.368 1.00 0.00 H new ATOM 1337 N LYS B 606 13.123 3.591 0.258 1.00 0.00 N ATOM 1338 CA LYS B 606 13.568 2.355 -0.374 1.00 0.00 C ATOM 1339 C LYS B 606 13.864 1.285 0.672 1.00 0.00 C ATOM 1340 O LYS B 606 13.473 0.127 0.519 1.00 0.00 O ATOM 1341 CB LYS B 606 14.816 2.612 -1.222 1.00 0.00 C ATOM 1342 CG LYS B 606 14.508 2.967 -2.666 1.00 0.00 C ATOM 1343 CD LYS B 606 13.680 4.237 -2.764 1.00 0.00 C ATOM 1344 CE LYS B 606 12.197 3.927 -2.896 1.00 0.00 C ATOM 1345 NZ LYS B 606 11.479 4.973 -3.675 1.00 0.00 N ATOM 0 H LYS B 606 13.708 4.402 0.057 1.00 0.00 H new ATOM 0 HA LYS B 606 12.765 1.997 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.390 3.422 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.448 1.724 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS B 606 15.440 3.096 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS B 606 13.971 2.144 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS B 606 13.847 4.851 -1.879 1.00 0.00 H new ATOM 0 HD3 LYS B 606 14.009 4.821 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS B 606 12.070 2.960 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS B 606 11.753 3.845 -1.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 10.471 4.725 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 11.578 5.891 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 11.885 5.034 -4.630 1.00 0.00 H new ATOM 1359 N VAL B 607 14.554 1.679 1.737 1.00 0.00 N ATOM 1360 CA VAL B 607 14.900 0.754 2.810 1.00 0.00 C ATOM 1361 C VAL B 607 13.654 0.082 3.378 1.00 0.00 C ATOM 1362 O VAL B 607 13.526 -1.142 3.343 1.00 0.00 O ATOM 1363 CB VAL B 607 15.648 1.471 3.950 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.960 0.499 5.078 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.920 2.119 3.426 1.00 0.00 C ATOM 0 H VAL B 607 14.885 2.633 1.880 1.00 0.00 H new ATOM 0 HA VAL B 607 15.553 -0.004 2.377 1.00 0.00 H new ATOM 0 HB VAL B 607 15.004 2.256 4.347 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.488 1.023 5.874 1.00 0.00 H new ATOM 0 HG12 VAL B 607 15.031 0.086 5.470 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.585 -0.310 4.699 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.436 2.621 4.244 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.570 1.354 3.002 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.667 2.847 2.656 1.00 0.00 H new ATOM 1375 N ASP B 608 12.739 0.891 3.901 1.00 0.00 N ATOM 1376 CA ASP B 608 11.502 0.375 4.476 1.00 0.00 C ATOM 1377 C ASP B 608 10.751 -0.485 3.465 1.00 0.00 C ATOM 1378 O ASP B 608 10.168 -1.510 3.820 1.00 0.00 O ATOM 1379 CB ASP B 608 10.613 1.528 4.945 1.00 0.00 C ATOM 1380 CG ASP B 608 9.482 1.060 5.839 1.00 0.00 C ATOM 1381 OD1 ASP B 608 9.727 0.189 6.700 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.351 1.565 5.679 1.00 0.00 O ATOM 0 H ASP B 608 12.830 1.906 3.939 1.00 0.00 H new ATOM 0 HA ASP B 608 11.760 -0.246 5.334 1.00 0.00 H new ATOM 0 HB2 ASP B 608 11.220 2.256 5.483 1.00 0.00 H new ATOM 0 HB3 ASP B 608 10.198 2.039 4.077 1.00 0.00 H new ATOM 1387 N GLU B 609 10.768 -0.061 2.206 1.00 0.00 N ATOM 1388 CA GLU B 609 10.086 -0.792 1.144 1.00 0.00 C ATOM 1389 C GLU B 609 10.615 -2.220 1.041 1.00 0.00 C ATOM 1390 O GLU B 609 9.843 -3.174 0.956 1.00 0.00 O ATOM 1391 CB GLU B 609 10.262 -0.073 -0.195 1.00 0.00 C ATOM 1392 CG GLU B 609 9.307 1.093 -0.390 1.00 0.00 C ATOM 1393 CD GLU B 609 7.940 0.652 -0.877 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.591 -0.530 -0.678 1.00 0.00 O ATOM 1395 OE2 GLU B 609 7.220 1.491 -1.457 1.00 0.00 O ATOM 0 H GLU B 609 11.246 0.785 1.896 1.00 0.00 H new ATOM 0 HA GLU B 609 9.025 -0.833 1.389 1.00 0.00 H new ATOM 0 HB2 GLU B 609 11.287 0.291 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU B 609 10.118 -0.789 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU B 609 9.197 1.629 0.552 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.736 1.793 -1.107 1.00 0.00 H new ATOM 1402 N ALA B 610 11.937 -2.357 1.048 1.00 0.00 N ATOM 1403 CA ALA B 610 12.570 -3.667 0.956 1.00 0.00 C ATOM 1404 C ALA B 610 12.231 -4.526 2.170 1.00 0.00 C ATOM 1405 O ALA B 610 11.787 -5.666 2.032 1.00 0.00 O ATOM 1406 CB ALA B 610 14.077 -3.516 0.818 1.00 0.00 C ATOM 0 H ALA B 610 12.590 -1.577 1.116 1.00 0.00 H new ATOM 0 HA ALA B 610 12.184 -4.169 0.069 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.537 -4.502 0.750 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.305 -2.947 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.471 -2.991 1.688 1.00 0.00 H new ATOM 1412 N VAL B 611 12.445 -3.972 3.359 1.00 0.00 N ATOM 1413 CA VAL B 611 12.162 -4.688 4.598 1.00 0.00 C ATOM 1414 C VAL B 611 10.740 -5.239 4.601 1.00 0.00 C ATOM 1415 O VAL B 611 10.507 -6.381 4.995 1.00 0.00 O ATOM 1416 CB VAL B 611 12.352 -3.780 5.827 1.00 0.00 C ATOM 1417 CG1 VAL B 611 12.019 -4.534 7.105 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.772 -3.237 5.873 1.00 0.00 C ATOM 0 H VAL B 611 12.813 -3.030 3.491 1.00 0.00 H new ATOM 0 HA VAL B 611 12.869 -5.515 4.655 1.00 0.00 H new ATOM 0 HB VAL B 611 11.667 -2.936 5.743 1.00 0.00 H new ATOM 0 HG11 VAL B 611 12.159 -3.876 7.963 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.982 -4.869 7.070 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.677 -5.398 7.199 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.889 -2.597 6.748 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.477 -4.066 5.933 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.969 -2.658 4.971 1.00 0.00 H new ATOM 1428 N ALA B 612 9.792 -4.419 4.159 1.00 0.00 N ATOM 1429 CA ALA B 612 8.393 -4.825 4.109 1.00 0.00 C ATOM 1430 C ALA B 612 8.168 -5.888 3.040 1.00 0.00 C ATOM 1431 O ALA B 612 7.351 -6.792 3.211 1.00 0.00 O ATOM 1432 CB ALA B 612 7.503 -3.618 3.853 1.00 0.00 C ATOM 0 H ALA B 612 9.968 -3.469 3.830 1.00 0.00 H new ATOM 0 HA ALA B 612 8.130 -5.258 5.074 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.461 -3.935 3.818 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.635 -2.892 4.655 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.775 -3.161 2.902 1.00 0.00 H new ATOM 1438 N VAL B 613 8.898 -5.773 1.934 1.00 0.00 N ATOM 1439 CA VAL B 613 8.778 -6.725 0.836 1.00 0.00 C ATOM 1440 C VAL B 613 9.121 -8.138 1.294 1.00 0.00 C ATOM 1441 O VAL B 613 8.699 -9.120 0.682 1.00 0.00 O ATOM 1442 CB VAL B 613 9.694 -6.342 -0.341 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.890 -7.279 -0.414 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.915 -6.354 -1.648 1.00 0.00 C ATOM 0 H VAL B 613 9.578 -5.030 1.775 1.00 0.00 H new ATOM 0 HA VAL B 613 7.740 -6.696 0.504 1.00 0.00 H new ATOM 0 HB VAL B 613 10.066 -5.331 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.526 -6.993 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.460 -7.214 0.513 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.542 -8.302 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.578 -6.081 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.513 -7.352 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL B 613 8.096 -5.638 -1.590 1.00 0.00 H new ATOM 1454 N LEU B 614 9.888 -8.234 2.374 1.00 0.00 N ATOM 1455 CA LEU B 614 10.288 -9.528 2.916 1.00 0.00 C ATOM 1456 C LEU B 614 9.106 -10.232 3.575 1.00 0.00 C ATOM 1457 O LEU B 614 8.894 -11.427 3.375 1.00 0.00 O ATOM 1458 CB LEU B 614 11.420 -9.351 3.930 1.00 0.00 C ATOM 1459 CG LEU B 614 12.428 -10.497 4.018 1.00 0.00 C ATOM 1460 CD1 LEU B 614 13.320 -10.331 5.238 1.00 0.00 C ATOM 1461 CD2 LEU B 614 11.708 -11.838 4.061 1.00 0.00 C ATOM 0 H LEU B 614 10.246 -7.431 2.892 1.00 0.00 H new ATOM 0 HA LEU B 614 10.641 -10.146 2.090 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.960 -8.437 3.685 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.978 -9.206 4.916 1.00 0.00 H new ATOM 0 HG LEU B 614 13.056 -10.472 3.128 1.00 0.00 H new ATOM 0 HD11 LEU B 614 14.031 -11.156 5.284 1.00 0.00 H new ATOM 0 HD12 LEU B 614 13.862 -9.388 5.167 1.00 0.00 H new ATOM 0 HD13 LEU B 614 12.707 -10.330 6.139 1.00 0.00 H new ATOM 0 HD21 LEU B 614 12.441 -12.643 4.124 1.00 0.00 H new ATOM 0 HD22 LEU B 614 11.055 -11.873 4.933 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.112 -11.960 3.157 1.00 0.00 H new ATOM 1473 N GLN B 615 8.339 -9.481 4.358 1.00 0.00 N ATOM 1474 CA GLN B 615 7.177 -10.033 5.044 1.00 0.00 C ATOM 1475 C GLN B 615 6.051 -10.326 4.058 1.00 0.00 C ATOM 1476 O GLN B 615 5.285 -11.273 4.239 1.00 0.00 O ATOM 1477 CB GLN B 615 6.687 -9.065 6.123 1.00 0.00 C ATOM 1478 CG GLN B 615 7.813 -8.395 6.895 1.00 0.00 C ATOM 1479 CD GLN B 615 7.394 -7.976 8.290 1.00 0.00 C ATOM 1480 OE1 GLN B 615 6.214 -8.024 8.638 1.00 0.00 O ATOM 1481 NE2 GLN B 615 8.362 -7.561 9.099 1.00 0.00 N ATOM 0 H GLN B 615 8.501 -8.489 4.533 1.00 0.00 H new ATOM 0 HA GLN B 615 7.476 -10.969 5.515 1.00 0.00 H new ATOM 0 HB2 GLN B 615 6.070 -8.297 5.657 1.00 0.00 H new ATOM 0 HB3 GLN B 615 6.049 -9.606 6.822 1.00 0.00 H new ATOM 0 HG2 GLN B 615 8.659 -9.079 6.964 1.00 0.00 H new ATOM 0 HG3 GLN B 615 8.155 -7.519 6.344 1.00 0.00 H new ATOM 0 HE21 GLN B 615 9.327 -7.537 8.769 1.00 0.00 H new ATOM 0 HE22 GLN B 615 8.140 -7.266 10.050 1.00 0.00 H new ATOM 1490 N ALA B 616 5.955 -9.507 3.016 1.00 0.00 N ATOM 1491 CA ALA B 616 4.924 -9.680 2.001 1.00 0.00 C ATOM 1492 C ALA B 616 4.952 -11.091 1.424 1.00 0.00 C ATOM 1493 O ALA B 616 3.919 -11.755 1.331 1.00 0.00 O ATOM 1494 CB ALA B 616 5.097 -8.652 0.893 1.00 0.00 C ATOM 0 H ALA B 616 6.579 -8.717 2.853 1.00 0.00 H new ATOM 0 HA ALA B 616 3.954 -9.529 2.475 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.320 -8.793 0.142 1.00 0.00 H new ATOM 0 HB2 ALA B 616 5.019 -7.649 1.312 1.00 0.00 H new ATOM 0 HB3 ALA B 616 6.076 -8.777 0.430 1.00 0.00 H new