USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 79 ASN : amide:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 81 HIS : no HE2:sc= -4.27! C(o=-4.3!,f=-5.3!) USER MOD Single : B 556 GLN : amide:sc= -0.491 K(o=-0.49,f=-4!) USER MOD Single : B 558 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 561 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 571 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.4) USER MOD Single : B 573 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 574 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.54) USER MOD Single : B 576 THR OG1 : rot 180:sc= 0 USER MOD Single : B 580 LYS NZ :NH3+ -174:sc= -0.739 (180deg=-0.751) USER MOD Single : B 582 THR OG1 : rot 94:sc= 1.09 USER MOD Single : B 584 MET CE :methyl -176:sc= -1.94 (180deg=-2.02) USER MOD Single : B 590 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.7) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.15) USER MOD Single : B 596 MET CE :methyl 170:sc= -0.459 (180deg=-1.06) 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= 0.0285 USER MOD Single : B 606 LYS NZ :NH3+ -133:sc= -3.2! (180deg=-5.92!) USER MOD Single : B 615 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 77 8.449 -2.029 -5.496 1.00 0.00 N ATOM 68 CA VAL A 77 8.299 -3.473 -5.630 1.00 0.00 C ATOM 69 C VAL A 77 9.655 -4.155 -5.779 1.00 0.00 C ATOM 70 O VAL A 77 9.974 -4.739 -6.814 1.00 0.00 O ATOM 71 CB VAL A 77 7.420 -3.835 -6.842 1.00 0.00 C ATOM 72 CG1 VAL A 77 6.922 -5.268 -6.731 1.00 0.00 C ATOM 73 CG2 VAL A 77 6.254 -2.865 -6.962 1.00 0.00 C ATOM 0 HA VAL A 77 7.815 -3.827 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 77 8.025 -3.755 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.303 -5.506 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.774 -5.947 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.332 -5.379 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.643 -3.135 -7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.647 -2.912 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.635 -1.852 -7.091 1.00 0.00 H new ATOM 83 N PRO A 78 10.473 -4.081 -4.719 1.00 0.00 N ATOM 84 CA PRO A 78 11.808 -4.686 -4.705 1.00 0.00 C ATOM 85 C PRO A 78 11.753 -6.210 -4.680 1.00 0.00 C ATOM 86 O PRO A 78 10.675 -6.801 -4.655 1.00 0.00 O ATOM 87 CB PRO A 78 12.427 -4.152 -3.411 1.00 0.00 C ATOM 88 CG PRO A 78 11.264 -3.845 -2.533 1.00 0.00 C ATOM 89 CD PRO A 78 10.158 -3.400 -3.451 1.00 0.00 C ATOM 0 HA PRO A 78 12.378 -4.436 -5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.085 -4.890 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.028 -3.262 -3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.966 -4.723 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.513 -3.064 -1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.179 -3.691 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.145 -2.316 -3.569 1.00 0.00 H new ATOM 97 N ASN A 79 12.923 -6.840 -4.686 1.00 0.00 N ATOM 98 CA ASN A 79 13.008 -8.296 -4.664 1.00 0.00 C ATOM 99 C ASN A 79 13.717 -8.780 -3.403 1.00 0.00 C ATOM 100 O ASN A 79 14.946 -8.820 -3.345 1.00 0.00 O ATOM 101 CB ASN A 79 13.746 -8.804 -5.904 1.00 0.00 C ATOM 102 CG ASN A 79 12.806 -9.083 -7.062 1.00 0.00 C ATOM 103 OD1 ASN A 79 12.874 -8.428 -8.102 1.00 0.00 O ATOM 104 ND2 ASN A 79 11.923 -10.059 -6.885 1.00 0.00 N ATOM 0 H ASN A 79 13.826 -6.365 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 79 11.993 -8.694 -4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.487 -8.066 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.289 -9.715 -5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.265 -10.292 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.903 -10.575 -6.006 1.00 0.00 H new ATOM 111 N VAL A 80 12.933 -9.149 -2.394 1.00 0.00 N ATOM 112 CA VAL A 80 13.485 -9.633 -1.135 1.00 0.00 C ATOM 113 C VAL A 80 14.425 -10.811 -1.363 1.00 0.00 C ATOM 114 O VAL A 80 14.327 -11.511 -2.371 1.00 0.00 O ATOM 115 CB VAL A 80 12.371 -10.060 -0.161 1.00 0.00 C ATOM 116 CG1 VAL A 80 11.575 -11.222 -0.737 1.00 0.00 C ATOM 117 CG2 VAL A 80 12.959 -10.425 1.194 1.00 0.00 C ATOM 0 H VAL A 80 11.914 -9.122 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 80 14.044 -8.806 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 80 11.692 -9.219 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.792 -11.510 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.122 -10.920 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.239 -12.069 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.158 -10.724 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.661 -11.250 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.480 -9.562 1.609 1.00 0.00 H new ATOM 127 N HIS A 81 15.337 -11.025 -0.419 1.00 0.00 N ATOM 128 CA HIS A 81 16.295 -12.120 -0.517 1.00 0.00 C ATOM 129 C HIS A 81 17.275 -11.884 -1.662 1.00 0.00 C ATOM 130 O HIS A 81 17.519 -12.774 -2.477 1.00 0.00 O ATOM 131 CB HIS A 81 15.565 -13.448 -0.721 1.00 0.00 C ATOM 132 CG HIS A 81 14.428 -13.658 0.231 1.00 0.00 C ATOM 133 ND1 HIS A 81 13.123 -13.829 -0.182 1.00 0.00 N ATOM 134 CD2 HIS A 81 14.405 -13.727 1.582 1.00 0.00 C ATOM 135 CE1 HIS A 81 12.347 -13.991 0.875 1.00 0.00 C ATOM 136 NE2 HIS A 81 13.101 -13.934 1.958 1.00 0.00 N ATOM 0 H HIS A 81 15.432 -10.455 0.421 1.00 0.00 H new ATOM 0 HA HIS A 81 16.857 -12.162 0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 81 15.186 -13.492 -1.742 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.277 -14.266 -0.610 1.00 0.00 H new ATOM 0 HD1 HIS A 81 12.807 -13.830 -1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 81 15.255 -13.636 2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.278 -14.144 0.857 1.00 0.00 H new ATOM 144 N ALA A 82 17.834 -10.680 -1.718 1.00 0.00 N ATOM 145 CA ALA A 82 18.788 -10.327 -2.762 1.00 0.00 C ATOM 146 C ALA A 82 20.206 -10.727 -2.367 1.00 0.00 C ATOM 147 O ALA A 82 20.638 -10.485 -1.241 1.00 0.00 O ATOM 148 CB ALA A 82 18.720 -8.836 -3.057 1.00 0.00 C ATOM 0 H ALA A 82 17.642 -9.932 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 82 18.522 -10.877 -3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.438 -8.587 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.715 -8.577 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.958 -8.275 -2.153 1.00 0.00 H new ATOM 154 N ALA A 83 20.925 -11.340 -3.302 1.00 0.00 N ATOM 155 CA ALA A 83 22.294 -11.771 -3.052 1.00 0.00 C ATOM 156 C ALA A 83 23.133 -10.633 -2.480 1.00 0.00 C ATOM 157 O ALA A 83 23.026 -9.490 -2.922 1.00 0.00 O ATOM 158 CB ALA A 83 22.923 -12.301 -4.333 1.00 0.00 C ATOM 0 H ALA A 83 20.581 -11.549 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 83 22.267 -12.573 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.946 -12.619 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.344 -13.149 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 83 22.930 -11.514 -5.087 1.00 0.00 H new ATOM 164 N GLU A 84 23.965 -10.955 -1.495 1.00 0.00 N ATOM 165 CA GLU A 84 24.820 -9.957 -0.862 1.00 0.00 C ATOM 166 C GLU A 84 25.606 -9.172 -1.908 1.00 0.00 C ATOM 167 O GLU A 84 26.309 -9.750 -2.737 1.00 0.00 O ATOM 168 CB GLU A 84 25.785 -10.628 0.118 1.00 0.00 C ATOM 169 CG GLU A 84 26.642 -11.711 -0.517 1.00 0.00 C ATOM 170 CD GLU A 84 27.406 -12.526 0.509 1.00 0.00 C ATOM 171 OE1 GLU A 84 26.776 -13.012 1.471 1.00 0.00 O ATOM 172 OE2 GLU A 84 28.636 -12.677 0.348 1.00 0.00 O ATOM 0 H GLU A 84 24.065 -11.898 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 84 24.182 -9.263 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.436 -9.869 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.213 -11.063 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 84 26.007 -12.375 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 84 27.348 -11.252 -1.209 1.00 0.00 H new ATOM 179 N PHE A 85 25.479 -7.849 -1.864 1.00 0.00 N ATOM 180 CA PHE A 85 26.175 -6.983 -2.809 1.00 0.00 C ATOM 181 C PHE A 85 27.671 -7.285 -2.823 1.00 0.00 C ATOM 182 O PHE A 85 28.343 -7.102 -3.839 1.00 0.00 O ATOM 183 CB PHE A 85 25.943 -5.513 -2.451 1.00 0.00 C ATOM 184 CG PHE A 85 26.978 -4.953 -1.518 1.00 0.00 C ATOM 185 CD1 PHE A 85 26.853 -5.114 -0.147 1.00 0.00 C ATOM 186 CD2 PHE A 85 28.076 -4.266 -2.011 1.00 0.00 C ATOM 187 CE1 PHE A 85 27.804 -4.598 0.713 1.00 0.00 C ATOM 188 CE2 PHE A 85 29.030 -3.749 -1.155 1.00 0.00 C ATOM 189 CZ PHE A 85 28.894 -3.916 0.209 1.00 0.00 C ATOM 0 H PHE A 85 24.901 -7.354 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 85 25.774 -7.175 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 85 25.933 -4.922 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 85 24.959 -5.410 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 85 26.004 -5.648 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 85 28.188 -4.133 -3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 85 27.695 -4.728 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 85 29.881 -3.215 -1.552 1.00 0.00 H new ATOM 0 HZ PHE A 85 29.639 -3.514 0.880 1.00 0.00 H new ATOM 537 N GLN B 556 30.563 -1.694 -12.707 1.00 0.00 N ATOM 538 CA GLN B 556 31.287 -2.807 -12.104 1.00 0.00 C ATOM 539 C GLN B 556 32.097 -2.340 -10.899 1.00 0.00 C ATOM 540 O GLN B 556 32.407 -3.127 -10.005 1.00 0.00 O ATOM 541 CB GLN B 556 32.212 -3.459 -13.133 1.00 0.00 C ATOM 542 CG GLN B 556 31.472 -4.251 -14.199 1.00 0.00 C ATOM 543 CD GLN B 556 30.972 -5.589 -13.690 1.00 0.00 C ATOM 544 OE1 GLN B 556 30.709 -5.754 -12.499 1.00 0.00 O ATOM 545 NE2 GLN B 556 30.838 -6.553 -14.593 1.00 0.00 N ATOM 0 HA GLN B 556 30.557 -3.542 -11.766 1.00 0.00 H new ATOM 0 HB2 GLN B 556 32.808 -2.685 -13.616 1.00 0.00 H new ATOM 0 HB3 GLN B 556 32.907 -4.121 -12.617 1.00 0.00 H new ATOM 0 HG2 GLN B 556 30.627 -3.665 -14.560 1.00 0.00 H new ATOM 0 HG3 GLN B 556 32.134 -4.414 -15.050 1.00 0.00 H new ATOM 0 HE21 GLN B 556 31.068 -6.372 -15.570 1.00 0.00 H new ATOM 0 HE22 GLN B 556 30.505 -7.475 -14.310 1.00 0.00 H new ATOM 554 N GLU B 557 32.436 -1.055 -10.882 1.00 0.00 N ATOM 555 CA GLU B 557 33.212 -0.484 -9.786 1.00 0.00 C ATOM 556 C GLU B 557 32.316 0.314 -8.844 1.00 0.00 C ATOM 557 O GLU B 557 32.395 0.168 -7.624 1.00 0.00 O ATOM 558 CB GLU B 557 34.324 0.413 -10.332 1.00 0.00 C ATOM 559 CG GLU B 557 35.388 -0.342 -11.111 1.00 0.00 C ATOM 560 CD GLU B 557 36.475 0.569 -11.648 1.00 0.00 C ATOM 561 OE1 GLU B 557 37.105 1.281 -10.839 1.00 0.00 O ATOM 562 OE2 GLU B 557 36.695 0.570 -12.877 1.00 0.00 O ATOM 0 H GLU B 557 32.186 -0.390 -11.614 1.00 0.00 H new ATOM 0 HA GLU B 557 33.660 -1.305 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU B 557 33.883 1.172 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU B 557 34.797 0.937 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU B 557 35.838 -1.097 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU B 557 34.919 -0.870 -11.941 1.00 0.00 H new ATOM 569 N GLN B 558 31.465 1.158 -9.419 1.00 0.00 N ATOM 570 CA GLN B 558 30.555 1.980 -8.630 1.00 0.00 C ATOM 571 C GLN B 558 29.647 1.112 -7.766 1.00 0.00 C ATOM 572 O GLN B 558 29.091 1.576 -6.770 1.00 0.00 O ATOM 573 CB GLN B 558 29.711 2.867 -9.547 1.00 0.00 C ATOM 574 CG GLN B 558 30.524 3.902 -10.309 1.00 0.00 C ATOM 575 CD GLN B 558 29.659 4.812 -11.159 1.00 0.00 C ATOM 576 OE1 GLN B 558 29.830 6.032 -11.155 1.00 0.00 O ATOM 577 NE2 GLN B 558 28.724 4.223 -11.895 1.00 0.00 N ATOM 0 H GLN B 558 31.387 1.290 -10.427 1.00 0.00 H new ATOM 0 HA GLN B 558 31.153 2.612 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN B 558 29.180 2.237 -10.261 1.00 0.00 H new ATOM 0 HB3 GLN B 558 28.956 3.378 -8.950 1.00 0.00 H new ATOM 0 HG2 GLN B 558 31.093 4.505 -9.601 1.00 0.00 H new ATOM 0 HG3 GLN B 558 31.246 3.393 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN B 558 28.617 3.209 -11.868 1.00 0.00 H new ATOM 0 HE22 GLN B 558 28.112 4.785 -12.488 1.00 0.00 H new ATOM 586 N LYS B 559 29.500 -0.150 -8.153 1.00 0.00 N ATOM 587 CA LYS B 559 28.659 -1.085 -7.414 1.00 0.00 C ATOM 588 C LYS B 559 29.227 -1.344 -6.023 1.00 0.00 C ATOM 589 O LYS B 559 28.569 -1.082 -5.016 1.00 0.00 O ATOM 590 CB LYS B 559 28.534 -2.405 -8.179 1.00 0.00 C ATOM 591 CG LYS B 559 27.652 -3.428 -7.486 1.00 0.00 C ATOM 592 CD LYS B 559 27.983 -4.843 -7.931 1.00 0.00 C ATOM 593 CE LYS B 559 26.822 -5.793 -7.678 1.00 0.00 C ATOM 594 NZ LYS B 559 25.836 -5.773 -8.794 1.00 0.00 N ATOM 0 H LYS B 559 29.953 -0.550 -8.975 1.00 0.00 H new ATOM 0 HA LYS B 559 27.670 -0.639 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS B 559 28.131 -2.203 -9.172 1.00 0.00 H new ATOM 0 HB3 LYS B 559 29.528 -2.830 -8.319 1.00 0.00 H new ATOM 0 HG2 LYS B 559 27.778 -3.346 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS B 559 26.605 -3.213 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS B 559 28.230 -4.843 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS B 559 28.866 -5.196 -7.398 1.00 0.00 H new ATOM 0 HE2 LYS B 559 27.203 -6.806 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS B 559 26.324 -5.518 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 25.060 -6.433 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 25.453 -4.812 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 26.305 -6.060 -9.677 1.00 0.00 H new ATOM 608 N GLN B 560 30.452 -1.858 -5.974 1.00 0.00 N ATOM 609 CA GLN B 560 31.108 -2.150 -4.705 1.00 0.00 C ATOM 610 C GLN B 560 31.244 -0.889 -3.859 1.00 0.00 C ATOM 611 O GLN B 560 31.074 -0.925 -2.641 1.00 0.00 O ATOM 612 CB GLN B 560 32.486 -2.767 -4.949 1.00 0.00 C ATOM 613 CG GLN B 560 33.322 -2.005 -5.965 1.00 0.00 C ATOM 614 CD GLN B 560 34.750 -2.508 -6.041 1.00 0.00 C ATOM 615 OE1 GLN B 560 35.562 -2.243 -5.155 1.00 0.00 O ATOM 616 NE2 GLN B 560 35.064 -3.240 -7.104 1.00 0.00 N ATOM 0 H GLN B 560 31.010 -2.081 -6.798 1.00 0.00 H new ATOM 0 HA GLN B 560 30.490 -2.864 -4.161 1.00 0.00 H new ATOM 0 HB2 GLN B 560 33.028 -2.811 -4.004 1.00 0.00 H new ATOM 0 HB3 GLN B 560 32.360 -3.794 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN B 560 32.858 -2.090 -6.948 1.00 0.00 H new ATOM 0 HG3 GLN B 560 33.327 -0.946 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN B 560 34.359 -3.435 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN B 560 36.010 -3.607 -7.209 1.00 0.00 H new ATOM 625 N MET B 561 31.553 0.226 -4.514 1.00 0.00 N ATOM 626 CA MET B 561 31.712 1.499 -3.821 1.00 0.00 C ATOM 627 C MET B 561 30.417 1.904 -3.123 1.00 0.00 C ATOM 628 O MET B 561 30.378 2.051 -1.901 1.00 0.00 O ATOM 629 CB MET B 561 32.137 2.591 -4.805 1.00 0.00 C ATOM 630 CG MET B 561 33.430 2.276 -5.540 1.00 0.00 C ATOM 631 SD MET B 561 34.597 3.651 -5.512 1.00 0.00 S ATOM 632 CE MET B 561 34.869 3.899 -7.265 1.00 0.00 C ATOM 0 H MET B 561 31.698 0.273 -5.523 1.00 0.00 H new ATOM 0 HA MET B 561 32.489 1.378 -3.066 1.00 0.00 H new ATOM 0 HB2 MET B 561 31.341 2.741 -5.534 1.00 0.00 H new ATOM 0 HB3 MET B 561 32.255 3.530 -4.264 1.00 0.00 H new ATOM 0 HG2 MET B 561 33.896 1.400 -5.089 1.00 0.00 H new ATOM 0 HG3 MET B 561 33.202 2.019 -6.574 1.00 0.00 H new ATOM 0 HE1 MET B 561 35.571 4.720 -7.412 1.00 0.00 H new ATOM 0 HE2 MET B 561 35.279 2.988 -7.702 1.00 0.00 H new ATOM 0 HE3 MET B 561 33.923 4.140 -7.749 1.00 0.00 H new ATOM 642 N LEU B 562 29.359 2.082 -3.907 1.00 0.00 N ATOM 643 CA LEU B 562 28.062 2.470 -3.364 1.00 0.00 C ATOM 644 C LEU B 562 27.630 1.519 -2.253 1.00 0.00 C ATOM 645 O LEU B 562 27.316 1.946 -1.143 1.00 0.00 O ATOM 646 CB LEU B 562 27.008 2.489 -4.473 1.00 0.00 C ATOM 647 CG LEU B 562 27.057 3.685 -5.424 1.00 0.00 C ATOM 648 CD1 LEU B 562 25.977 3.565 -6.488 1.00 0.00 C ATOM 649 CD2 LEU B 562 26.906 4.988 -4.652 1.00 0.00 C ATOM 0 H LEU B 562 29.374 1.964 -4.920 1.00 0.00 H new ATOM 0 HA LEU B 562 28.157 3.471 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU B 562 27.112 1.578 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU B 562 26.022 2.458 -4.010 1.00 0.00 H new ATOM 0 HG LEU B 562 28.028 3.691 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU B 562 26.027 4.425 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU B 562 26.131 2.651 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU B 562 24.998 3.533 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU B 562 26.943 5.828 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU B 562 25.950 4.992 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU B 562 27.716 5.078 -3.929 1.00 0.00 H new ATOM 661 N GLY B 563 27.619 0.225 -2.559 1.00 0.00 N ATOM 662 CA GLY B 563 27.226 -0.767 -1.576 1.00 0.00 C ATOM 663 C GLY B 563 28.072 -0.705 -0.319 1.00 0.00 C ATOM 664 O GLY B 563 27.544 -0.707 0.792 1.00 0.00 O ATOM 0 H GLY B 563 27.875 -0.154 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY B 563 26.179 -0.618 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY B 563 27.306 -1.761 -2.016 1.00 0.00 H new ATOM 668 N GLU B 564 29.389 -0.650 -0.496 1.00 0.00 N ATOM 669 CA GLU B 564 30.309 -0.589 0.634 1.00 0.00 C ATOM 670 C GLU B 564 29.966 0.580 1.552 1.00 0.00 C ATOM 671 O GLU B 564 30.006 0.454 2.776 1.00 0.00 O ATOM 672 CB GLU B 564 31.751 -0.458 0.139 1.00 0.00 C ATOM 673 CG GLU B 564 32.398 -1.788 -0.210 1.00 0.00 C ATOM 674 CD GLU B 564 33.119 -2.413 0.968 1.00 0.00 C ATOM 675 OE1 GLU B 564 33.945 -1.718 1.596 1.00 0.00 O ATOM 676 OE2 GLU B 564 32.856 -3.598 1.263 1.00 0.00 O ATOM 0 H GLU B 564 29.842 -0.646 -1.410 1.00 0.00 H new ATOM 0 HA GLU B 564 30.210 -1.515 1.201 1.00 0.00 H new ATOM 0 HB2 GLU B 564 31.767 0.186 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU B 564 32.346 0.036 0.907 1.00 0.00 H new ATOM 0 HG2 GLU B 564 31.633 -2.476 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU B 564 33.104 -1.641 -1.027 1.00 0.00 H new ATOM 683 N ARG B 565 29.630 1.717 0.952 1.00 0.00 N ATOM 684 CA ARG B 565 29.283 2.910 1.715 1.00 0.00 C ATOM 685 C ARG B 565 27.879 2.790 2.302 1.00 0.00 C ATOM 686 O ARG B 565 27.588 3.349 3.360 1.00 0.00 O ATOM 687 CB ARG B 565 29.370 4.153 0.827 1.00 0.00 C ATOM 688 CG ARG B 565 30.715 4.315 0.138 1.00 0.00 C ATOM 689 CD ARG B 565 31.569 5.371 0.823 1.00 0.00 C ATOM 690 NE ARG B 565 32.574 4.777 1.700 1.00 0.00 N ATOM 691 CZ ARG B 565 33.689 4.205 1.260 1.00 0.00 C ATOM 692 NH1 ARG B 565 33.941 4.151 -0.041 1.00 0.00 N ATOM 693 NH2 ARG B 565 34.555 3.687 2.121 1.00 0.00 N ATOM 0 H ARG B 565 29.591 1.837 -0.060 1.00 0.00 H new ATOM 0 HA ARG B 565 29.995 3.006 2.535 1.00 0.00 H new ATOM 0 HB2 ARG B 565 28.587 4.104 0.070 1.00 0.00 H new ATOM 0 HB3 ARG B 565 29.173 5.037 1.433 1.00 0.00 H new ATOM 0 HG2 ARG B 565 31.243 3.361 0.140 1.00 0.00 H new ATOM 0 HG3 ARG B 565 30.560 4.592 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG B 565 32.063 5.983 0.068 1.00 0.00 H new ATOM 0 HD3 ARG B 565 30.928 6.035 1.403 1.00 0.00 H new ATOM 0 HE ARG B 565 32.411 4.803 2.707 1.00 0.00 H new ATOM 0 HH11 ARG B 565 33.278 4.549 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG B 565 34.798 3.711 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG B 565 34.365 3.728 3.122 1.00 0.00 H new ATOM 0 HH22 ARG B 565 35.411 3.248 1.782 1.00 0.00 H new ATOM 707 N LEU B 566 27.014 2.058 1.609 1.00 0.00 N ATOM 708 CA LEU B 566 25.641 1.864 2.061 1.00 0.00 C ATOM 709 C LEU B 566 25.583 0.866 3.213 1.00 0.00 C ATOM 710 O LEU B 566 24.638 0.868 4.003 1.00 0.00 O ATOM 711 CB LEU B 566 24.766 1.377 0.904 1.00 0.00 C ATOM 712 CG LEU B 566 24.449 2.410 -0.178 1.00 0.00 C ATOM 713 CD1 LEU B 566 24.235 1.727 -1.520 1.00 0.00 C ATOM 714 CD2 LEU B 566 23.226 3.228 0.207 1.00 0.00 C ATOM 0 H LEU B 566 27.239 1.589 0.732 1.00 0.00 H new ATOM 0 HA LEU B 566 25.262 2.823 2.416 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.261 0.527 0.433 1.00 0.00 H new ATOM 0 HB3 LEU B 566 23.825 1.011 1.315 1.00 0.00 H new ATOM 0 HG LEU B 566 25.299 3.086 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU B 566 24.010 2.477 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU B 566 25.139 1.186 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU B 566 23.402 1.028 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU B 566 23.016 3.958 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU B 566 22.368 2.566 0.326 1.00 0.00 H new ATOM 0 HD23 LEU B 566 23.416 3.747 1.146 1.00 0.00 H new ATOM 726 N PHE B 567 26.599 0.015 3.303 1.00 0.00 N ATOM 727 CA PHE B 567 26.664 -0.988 4.360 1.00 0.00 C ATOM 728 C PHE B 567 26.524 -0.341 5.734 1.00 0.00 C ATOM 729 O PHE B 567 25.628 -0.666 6.513 1.00 0.00 O ATOM 730 CB PHE B 567 27.984 -1.759 4.279 1.00 0.00 C ATOM 731 CG PHE B 567 28.430 -2.324 5.598 1.00 0.00 C ATOM 732 CD1 PHE B 567 27.592 -3.146 6.333 1.00 0.00 C ATOM 733 CD2 PHE B 567 29.687 -2.031 6.102 1.00 0.00 C ATOM 734 CE1 PHE B 567 27.999 -3.667 7.547 1.00 0.00 C ATOM 735 CE2 PHE B 567 30.100 -2.550 7.314 1.00 0.00 C ATOM 736 CZ PHE B 567 29.255 -3.368 8.038 1.00 0.00 C ATOM 0 H PHE B 567 27.388 -0.001 2.657 1.00 0.00 H new ATOM 0 HA PHE B 567 25.835 -1.682 4.219 1.00 0.00 H new ATOM 0 HB2 PHE B 567 27.877 -2.573 3.562 1.00 0.00 H new ATOM 0 HB3 PHE B 567 28.760 -1.096 3.896 1.00 0.00 H new ATOM 0 HD1 PHE B 567 26.609 -3.383 5.953 1.00 0.00 H new ATOM 0 HD2 PHE B 567 30.351 -1.390 5.541 1.00 0.00 H new ATOM 0 HE1 PHE B 567 27.336 -4.307 8.111 1.00 0.00 H new ATOM 0 HE2 PHE B 567 31.083 -2.316 7.695 1.00 0.00 H new ATOM 0 HZ PHE B 567 29.576 -3.773 8.986 1.00 0.00 H new ATOM 746 N PRO B 568 27.431 0.598 6.041 1.00 0.00 N ATOM 747 CA PRO B 568 27.431 1.312 7.322 1.00 0.00 C ATOM 748 C PRO B 568 26.251 2.270 7.451 1.00 0.00 C ATOM 749 O PRO B 568 25.737 2.493 8.547 1.00 0.00 O ATOM 750 CB PRO B 568 28.750 2.088 7.296 1.00 0.00 C ATOM 751 CG PRO B 568 29.058 2.263 5.849 1.00 0.00 C ATOM 752 CD PRO B 568 28.528 1.036 5.161 1.00 0.00 C ATOM 0 HA PRO B 568 27.338 0.631 8.168 1.00 0.00 H new ATOM 0 HB2 PRO B 568 28.653 3.050 7.799 1.00 0.00 H new ATOM 0 HB3 PRO B 568 29.542 1.540 7.806 1.00 0.00 H new ATOM 0 HG2 PRO B 568 28.588 3.164 5.456 1.00 0.00 H new ATOM 0 HG3 PRO B 568 30.131 2.368 5.688 1.00 0.00 H new ATOM 0 HD2 PRO B 568 28.171 1.261 4.156 1.00 0.00 H new ATOM 0 HD3 PRO B 568 29.295 0.268 5.062 1.00 0.00 H new ATOM 760 N LEU B 569 25.827 2.833 6.325 1.00 0.00 N ATOM 761 CA LEU B 569 24.707 3.767 6.312 1.00 0.00 C ATOM 762 C LEU B 569 23.439 3.105 6.843 1.00 0.00 C ATOM 763 O LEU B 569 22.853 3.562 7.825 1.00 0.00 O ATOM 764 CB LEU B 569 24.468 4.289 4.894 1.00 0.00 C ATOM 765 CG LEU B 569 25.425 5.378 4.410 1.00 0.00 C ATOM 766 CD1 LEU B 569 25.127 5.746 2.964 1.00 0.00 C ATOM 767 CD2 LEU B 569 25.331 6.606 5.304 1.00 0.00 C ATOM 0 H LEU B 569 26.242 2.659 5.410 1.00 0.00 H new ATOM 0 HA LEU B 569 24.958 4.604 6.963 1.00 0.00 H new ATOM 0 HB2 LEU B 569 24.528 3.448 4.204 1.00 0.00 H new ATOM 0 HB3 LEU B 569 23.451 4.676 4.837 1.00 0.00 H new ATOM 0 HG LEU B 569 26.443 4.991 4.463 1.00 0.00 H new ATOM 0 HD11 LEU B 569 25.818 6.523 2.636 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.245 4.865 2.333 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.104 6.114 2.886 1.00 0.00 H new ATOM 0 HD21 LEU B 569 26.019 7.371 4.945 1.00 0.00 H new ATOM 0 HD22 LEU B 569 24.313 6.995 5.283 1.00 0.00 H new ATOM 0 HD23 LEU B 569 25.594 6.333 6.326 1.00 0.00 H new ATOM 779 N ILE B 570 23.023 2.026 6.189 1.00 0.00 N ATOM 780 CA ILE B 570 21.827 1.300 6.597 1.00 0.00 C ATOM 781 C ILE B 570 22.091 0.464 7.845 1.00 0.00 C ATOM 782 O ILE B 570 21.160 0.057 8.540 1.00 0.00 O ATOM 783 CB ILE B 570 21.318 0.377 5.474 1.00 0.00 C ATOM 784 CG1 ILE B 570 21.052 1.185 4.202 1.00 0.00 C ATOM 785 CG2 ILE B 570 20.058 -0.352 5.918 1.00 0.00 C ATOM 786 CD1 ILE B 570 21.420 0.451 2.932 1.00 0.00 C ATOM 0 H ILE B 570 23.496 1.635 5.374 1.00 0.00 H new ATOM 0 HA ILE B 570 21.064 2.047 6.816 1.00 0.00 H new ATOM 0 HB ILE B 570 22.086 -0.365 5.257 1.00 0.00 H new ATOM 0 HG12 ILE B 570 19.996 1.452 4.165 1.00 0.00 H new ATOM 0 HG13 ILE B 570 21.615 2.117 4.249 1.00 0.00 H new ATOM 0 HG21 ILE B 570 19.710 -1.000 5.114 1.00 0.00 H new ATOM 0 HG22 ILE B 570 20.277 -0.954 6.800 1.00 0.00 H new ATOM 0 HG23 ILE B 570 19.283 0.375 6.159 1.00 0.00 H new ATOM 0 HD11 ILE B 570 21.205 1.084 2.071 1.00 0.00 H new ATOM 0 HD12 ILE B 570 22.482 0.208 2.947 1.00 0.00 H new ATOM 0 HD13 ILE B 570 20.838 -0.468 2.861 1.00 0.00 H new ATOM 798 N GLN B 571 23.366 0.213 8.124 1.00 0.00 N ATOM 799 CA GLN B 571 23.753 -0.573 9.290 1.00 0.00 C ATOM 800 C GLN B 571 23.193 0.040 10.570 1.00 0.00 C ATOM 801 O GLN B 571 23.032 -0.646 11.579 1.00 0.00 O ATOM 802 CB GLN B 571 25.276 -0.673 9.382 1.00 0.00 C ATOM 803 CG GLN B 571 25.778 -1.065 10.762 1.00 0.00 C ATOM 804 CD GLN B 571 26.019 0.134 11.658 1.00 0.00 C ATOM 805 OE1 GLN B 571 25.385 0.279 12.704 1.00 0.00 O ATOM 806 NE2 GLN B 571 26.939 1.001 11.252 1.00 0.00 N ATOM 0 H GLN B 571 24.149 0.542 7.559 1.00 0.00 H new ATOM 0 HA GLN B 571 23.337 -1.574 9.176 1.00 0.00 H new ATOM 0 HB2 GLN B 571 25.628 -1.405 8.655 1.00 0.00 H new ATOM 0 HB3 GLN B 571 25.712 0.287 9.105 1.00 0.00 H new ATOM 0 HG2 GLN B 571 25.052 -1.726 11.234 1.00 0.00 H new ATOM 0 HG3 GLN B 571 26.705 -1.630 10.660 1.00 0.00 H new ATOM 0 HE21 GLN B 571 27.440 0.841 10.378 1.00 0.00 H new ATOM 0 HE22 GLN B 571 27.145 1.827 11.814 1.00 0.00 H new ATOM 815 N ALA B 572 22.900 1.335 10.521 1.00 0.00 N ATOM 816 CA ALA B 572 22.357 2.040 11.675 1.00 0.00 C ATOM 817 C ALA B 572 20.846 1.855 11.771 1.00 0.00 C ATOM 818 O ALA B 572 20.246 2.108 12.815 1.00 0.00 O ATOM 819 CB ALA B 572 22.706 3.519 11.603 1.00 0.00 C ATOM 0 H ALA B 572 23.030 1.918 9.694 1.00 0.00 H new ATOM 0 HA ALA B 572 22.806 1.615 12.573 1.00 0.00 H new ATOM 0 HB1 ALA B 572 22.294 4.033 12.471 1.00 0.00 H new ATOM 0 HB2 ALA B 572 23.790 3.637 11.592 1.00 0.00 H new ATOM 0 HB3 ALA B 572 22.285 3.948 10.694 1.00 0.00 H new ATOM 825 N MET B 573 20.238 1.412 10.676 1.00 0.00 N ATOM 826 CA MET B 573 18.797 1.192 10.637 1.00 0.00 C ATOM 827 C MET B 573 18.472 -0.297 10.700 1.00 0.00 C ATOM 828 O MET B 573 17.806 -0.758 11.626 1.00 0.00 O ATOM 829 CB MET B 573 18.200 1.804 9.369 1.00 0.00 C ATOM 830 CG MET B 573 18.617 3.247 9.136 1.00 0.00 C ATOM 831 SD MET B 573 17.364 4.199 8.255 1.00 0.00 S ATOM 832 CE MET B 573 18.121 4.340 6.638 1.00 0.00 C ATOM 0 H MET B 573 20.721 1.198 9.803 1.00 0.00 H new ATOM 0 HA MET B 573 18.357 1.678 11.508 1.00 0.00 H new ATOM 0 HB2 MET B 573 18.501 1.204 8.510 1.00 0.00 H new ATOM 0 HB3 MET B 573 17.113 1.754 9.428 1.00 0.00 H new ATOM 0 HG2 MET B 573 18.820 3.722 10.096 1.00 0.00 H new ATOM 0 HG3 MET B 573 19.547 3.265 8.568 1.00 0.00 H new ATOM 0 HE1 MET B 573 17.464 4.905 5.977 1.00 0.00 H new ATOM 0 HE2 MET B 573 19.077 4.856 6.728 1.00 0.00 H new ATOM 0 HE3 MET B 573 18.283 3.345 6.224 1.00 0.00 H new ATOM 842 N HIS B 574 18.946 -1.043 9.707 1.00 0.00 N ATOM 843 CA HIS B 574 18.706 -2.481 9.650 1.00 0.00 C ATOM 844 C HIS B 574 19.998 -3.237 9.357 1.00 0.00 C ATOM 845 O HIS B 574 20.235 -3.702 8.242 1.00 0.00 O ATOM 846 CB HIS B 574 17.660 -2.802 8.582 1.00 0.00 C ATOM 847 CG HIS B 574 16.327 -2.169 8.839 1.00 0.00 C ATOM 848 ND1 HIS B 574 15.857 -1.088 8.124 1.00 0.00 N ATOM 849 CD2 HIS B 574 15.361 -2.473 9.738 1.00 0.00 C ATOM 850 CE1 HIS B 574 14.661 -0.753 8.573 1.00 0.00 C ATOM 851 NE2 HIS B 574 14.337 -1.578 9.552 1.00 0.00 N ATOM 0 H HIS B 574 19.498 -0.676 8.932 1.00 0.00 H new ATOM 0 HA HIS B 574 18.332 -2.801 10.623 1.00 0.00 H new ATOM 0 HB2 HIS B 574 18.030 -2.470 7.612 1.00 0.00 H new ATOM 0 HB3 HIS B 574 17.534 -3.883 8.522 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.391 -3.271 10.465 1.00 0.00 H new ATOM 0 HE1 HIS B 574 14.051 0.058 8.202 1.00 0.00 H new ATOM 0 HE2 HIS B 574 13.467 -1.554 10.084 1.00 0.00 H new ATOM 859 N PRO B 575 20.855 -3.363 10.381 1.00 0.00 N ATOM 860 CA PRO B 575 22.138 -4.061 10.258 1.00 0.00 C ATOM 861 C PRO B 575 21.965 -5.567 10.090 1.00 0.00 C ATOM 862 O PRO B 575 22.865 -6.257 9.611 1.00 0.00 O ATOM 863 CB PRO B 575 22.841 -3.749 11.581 1.00 0.00 C ATOM 864 CG PRO B 575 21.736 -3.475 12.542 1.00 0.00 C ATOM 865 CD PRO B 575 20.638 -2.834 11.738 1.00 0.00 C ATOM 0 HA PRO B 575 22.694 -3.738 9.378 1.00 0.00 H new ATOM 0 HB2 PRO B 575 23.454 -4.588 11.911 1.00 0.00 H new ATOM 0 HB3 PRO B 575 23.504 -2.889 11.484 1.00 0.00 H new ATOM 0 HG2 PRO B 575 21.390 -4.396 13.011 1.00 0.00 H new ATOM 0 HG3 PRO B 575 22.070 -2.815 13.343 1.00 0.00 H new ATOM 0 HD2 PRO B 575 19.652 -3.100 12.120 1.00 0.00 H new ATOM 0 HD3 PRO B 575 20.706 -1.746 11.761 1.00 0.00 H new ATOM 873 N THR B 576 20.801 -6.072 10.486 1.00 0.00 N ATOM 874 CA THR B 576 20.509 -7.496 10.380 1.00 0.00 C ATOM 875 C THR B 576 20.751 -8.003 8.963 1.00 0.00 C ATOM 876 O THR B 576 21.344 -9.064 8.765 1.00 0.00 O ATOM 877 CB THR B 576 19.054 -7.803 10.781 1.00 0.00 C ATOM 878 OG1 THR B 576 18.764 -7.219 12.056 1.00 0.00 O ATOM 879 CG2 THR B 576 18.814 -9.304 10.839 1.00 0.00 C ATOM 0 H THR B 576 20.044 -5.515 10.883 1.00 0.00 H new ATOM 0 HA THR B 576 21.183 -8.008 11.067 1.00 0.00 H new ATOM 0 HB THR B 576 18.394 -7.374 10.027 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.837 -7.417 12.303 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.780 -9.496 11.124 1.00 0.00 H new ATOM 0 HG22 THR B 576 19.008 -9.742 9.860 1.00 0.00 H new ATOM 0 HG23 THR B 576 19.482 -9.751 11.575 1.00 0.00 H new ATOM 887 N LEU B 577 20.290 -7.238 7.980 1.00 0.00 N ATOM 888 CA LEU B 577 20.458 -7.609 6.579 1.00 0.00 C ATOM 889 C LEU B 577 20.836 -6.396 5.735 1.00 0.00 C ATOM 890 O LEU B 577 20.417 -6.272 4.585 1.00 0.00 O ATOM 891 CB LEU B 577 19.172 -8.238 6.040 1.00 0.00 C ATOM 892 CG LEU B 577 18.378 -9.093 7.028 1.00 0.00 C ATOM 893 CD1 LEU B 577 17.389 -8.235 7.802 1.00 0.00 C ATOM 894 CD2 LEU B 577 17.655 -10.217 6.300 1.00 0.00 C ATOM 0 H LEU B 577 19.797 -6.357 8.127 1.00 0.00 H new ATOM 0 HA LEU B 577 21.266 -8.338 6.517 1.00 0.00 H new ATOM 0 HB2 LEU B 577 18.524 -7.439 5.679 1.00 0.00 H new ATOM 0 HB3 LEU B 577 19.427 -8.856 5.179 1.00 0.00 H new ATOM 0 HG LEU B 577 19.076 -9.536 7.738 1.00 0.00 H new ATOM 0 HD11 LEU B 577 16.833 -8.861 8.500 1.00 0.00 H new ATOM 0 HD12 LEU B 577 17.929 -7.466 8.355 1.00 0.00 H new ATOM 0 HD13 LEU B 577 16.695 -7.762 7.107 1.00 0.00 H new ATOM 0 HD21 LEU B 577 17.095 -10.815 7.019 1.00 0.00 H new ATOM 0 HD22 LEU B 577 16.968 -9.793 5.567 1.00 0.00 H new ATOM 0 HD23 LEU B 577 18.383 -10.849 5.791 1.00 0.00 H new ATOM 906 N ALA B 578 21.633 -5.504 6.315 1.00 0.00 N ATOM 907 CA ALA B 578 22.072 -4.303 5.615 1.00 0.00 C ATOM 908 C ALA B 578 22.611 -4.641 4.230 1.00 0.00 C ATOM 909 O ALA B 578 22.200 -4.050 3.232 1.00 0.00 O ATOM 910 CB ALA B 578 23.128 -3.573 6.432 1.00 0.00 C ATOM 0 H ALA B 578 21.988 -5.591 7.267 1.00 0.00 H new ATOM 0 HA ALA B 578 21.209 -3.649 5.490 1.00 0.00 H new ATOM 0 HB1 ALA B 578 23.447 -2.678 5.898 1.00 0.00 H new ATOM 0 HB2 ALA B 578 22.709 -3.289 7.397 1.00 0.00 H new ATOM 0 HB3 ALA B 578 23.985 -4.228 6.587 1.00 0.00 H new ATOM 916 N GLY B 579 23.535 -5.595 4.176 1.00 0.00 N ATOM 917 CA GLY B 579 24.117 -5.994 2.908 1.00 0.00 C ATOM 918 C GLY B 579 23.076 -6.489 1.923 1.00 0.00 C ATOM 919 O GLY B 579 23.088 -6.110 0.752 1.00 0.00 O ATOM 0 H GLY B 579 23.891 -6.099 4.988 1.00 0.00 H new ATOM 0 HA2 GLY B 579 24.650 -5.148 2.474 1.00 0.00 H new ATOM 0 HA3 GLY B 579 24.852 -6.780 3.080 1.00 0.00 H new ATOM 923 N LYS B 580 22.173 -7.341 2.397 1.00 0.00 N ATOM 924 CA LYS B 580 21.120 -7.890 1.551 1.00 0.00 C ATOM 925 C LYS B 580 20.333 -6.775 0.869 1.00 0.00 C ATOM 926 O LYS B 580 20.301 -6.687 -0.359 1.00 0.00 O ATOM 927 CB LYS B 580 20.174 -8.762 2.380 1.00 0.00 C ATOM 928 CG LYS B 580 20.582 -10.224 2.429 1.00 0.00 C ATOM 929 CD LYS B 580 21.959 -10.399 3.047 1.00 0.00 C ATOM 930 CE LYS B 580 21.949 -10.069 4.532 1.00 0.00 C ATOM 931 NZ LYS B 580 21.094 -11.013 5.304 1.00 0.00 N ATOM 0 H LYS B 580 22.149 -7.666 3.363 1.00 0.00 H new ATOM 0 HA LYS B 580 21.589 -8.503 0.782 1.00 0.00 H new ATOM 0 HB2 LYS B 580 20.130 -8.371 3.397 1.00 0.00 H new ATOM 0 HB3 LYS B 580 19.168 -8.688 1.966 1.00 0.00 H new ATOM 0 HG2 LYS B 580 19.849 -10.788 3.006 1.00 0.00 H new ATOM 0 HG3 LYS B 580 20.580 -10.637 1.420 1.00 0.00 H new ATOM 0 HD2 LYS B 580 22.296 -11.426 2.904 1.00 0.00 H new ATOM 0 HD3 LYS B 580 22.674 -9.755 2.535 1.00 0.00 H new ATOM 0 HE2 LYS B 580 22.968 -10.103 4.918 1.00 0.00 H new ATOM 0 HE3 LYS B 580 21.587 -9.051 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 21.031 -10.696 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 20.141 -11.038 4.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 21.511 -11.965 5.272 1.00 0.00 H new ATOM 945 N ILE B 581 19.703 -5.925 1.672 1.00 0.00 N ATOM 946 CA ILE B 581 18.919 -4.814 1.145 1.00 0.00 C ATOM 947 C ILE B 581 19.789 -3.869 0.323 1.00 0.00 C ATOM 948 O ILE B 581 19.336 -3.292 -0.666 1.00 0.00 O ATOM 949 CB ILE B 581 18.241 -4.018 2.275 1.00 0.00 C ATOM 950 CG1 ILE B 581 19.279 -3.560 3.301 1.00 0.00 C ATOM 951 CG2 ILE B 581 17.164 -4.859 2.943 1.00 0.00 C ATOM 952 CD1 ILE B 581 18.677 -3.134 4.622 1.00 0.00 C ATOM 0 H ILE B 581 19.720 -5.984 2.690 1.00 0.00 H new ATOM 0 HA ILE B 581 18.150 -5.246 0.504 1.00 0.00 H new ATOM 0 HB ILE B 581 17.770 -3.135 1.844 1.00 0.00 H new ATOM 0 HG12 ILE B 581 19.985 -4.371 3.478 1.00 0.00 H new ATOM 0 HG13 ILE B 581 19.847 -2.728 2.885 1.00 0.00 H new ATOM 0 HG21 ILE B 581 16.694 -4.282 3.740 1.00 0.00 H new ATOM 0 HG22 ILE B 581 16.412 -5.139 2.206 1.00 0.00 H new ATOM 0 HG23 ILE B 581 17.613 -5.759 3.363 1.00 0.00 H new ATOM 0 HD11 ILE B 581 19.471 -2.822 5.300 1.00 0.00 H new ATOM 0 HD12 ILE B 581 17.992 -2.302 4.458 1.00 0.00 H new ATOM 0 HD13 ILE B 581 18.133 -3.971 5.061 1.00 0.00 H new ATOM 964 N THR B 582 21.043 -3.716 0.738 1.00 0.00 N ATOM 965 CA THR B 582 21.977 -2.842 0.041 1.00 0.00 C ATOM 966 C THR B 582 22.277 -3.363 -1.360 1.00 0.00 C ATOM 967 O THR B 582 22.548 -2.588 -2.276 1.00 0.00 O ATOM 968 CB THR B 582 23.300 -2.700 0.817 1.00 0.00 C ATOM 969 OG1 THR B 582 23.083 -1.961 2.024 1.00 0.00 O ATOM 970 CG2 THR B 582 24.352 -2.000 -0.030 1.00 0.00 C ATOM 0 H THR B 582 21.435 -4.187 1.554 1.00 0.00 H new ATOM 0 HA THR B 582 21.500 -1.865 -0.032 1.00 0.00 H new ATOM 0 HB THR B 582 23.660 -3.699 1.063 1.00 0.00 H new ATOM 0 HG1 THR B 582 22.919 -2.583 2.763 1.00 0.00 H new ATOM 0 HG21 THR B 582 25.277 -1.911 0.539 1.00 0.00 H new ATOM 0 HG22 THR B 582 24.536 -2.580 -0.934 1.00 0.00 H new ATOM 0 HG23 THR B 582 23.997 -1.006 -0.303 1.00 0.00 H new ATOM 978 N GLY B 583 22.225 -4.682 -1.520 1.00 0.00 N ATOM 979 CA GLY B 583 22.492 -5.283 -2.813 1.00 0.00 C ATOM 980 C GLY B 583 21.445 -4.922 -3.848 1.00 0.00 C ATOM 981 O GLY B 583 21.773 -4.421 -4.923 1.00 0.00 O ATOM 0 H GLY B 583 22.003 -5.345 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY B 583 23.472 -4.961 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY B 583 22.533 -6.367 -2.705 1.00 0.00 H new ATOM 985 N MET B 584 20.182 -5.179 -3.524 1.00 0.00 N ATOM 986 CA MET B 584 19.084 -4.878 -4.435 1.00 0.00 C ATOM 987 C MET B 584 18.916 -3.372 -4.605 1.00 0.00 C ATOM 988 O MET B 584 18.646 -2.887 -5.705 1.00 0.00 O ATOM 989 CB MET B 584 17.781 -5.493 -3.919 1.00 0.00 C ATOM 990 CG MET B 584 17.458 -5.114 -2.483 1.00 0.00 C ATOM 991 SD MET B 584 16.786 -6.493 -1.535 1.00 0.00 S ATOM 992 CE MET B 584 15.027 -6.214 -1.733 1.00 0.00 C ATOM 0 H MET B 584 19.894 -5.595 -2.638 1.00 0.00 H new ATOM 0 HA MET B 584 19.322 -5.311 -5.406 1.00 0.00 H new ATOM 0 HB2 MET B 584 16.960 -5.178 -4.563 1.00 0.00 H new ATOM 0 HB3 MET B 584 17.846 -6.578 -3.994 1.00 0.00 H new ATOM 0 HG2 MET B 584 18.362 -4.749 -1.995 1.00 0.00 H new ATOM 0 HG3 MET B 584 16.741 -4.293 -2.480 1.00 0.00 H new ATOM 0 HE1 MET B 584 14.474 -6.945 -1.144 1.00 0.00 H new ATOM 0 HE2 MET B 584 14.777 -5.209 -1.392 1.00 0.00 H new ATOM 0 HE3 MET B 584 14.758 -6.317 -2.784 1.00 0.00 H new ATOM 1002 N LEU B 585 19.077 -2.636 -3.511 1.00 0.00 N ATOM 1003 CA LEU B 585 18.943 -1.184 -3.539 1.00 0.00 C ATOM 1004 C LEU B 585 19.948 -0.563 -4.504 1.00 0.00 C ATOM 1005 O LEU B 585 19.569 0.102 -5.470 1.00 0.00 O ATOM 1006 CB LEU B 585 19.141 -0.606 -2.137 1.00 0.00 C ATOM 1007 CG LEU B 585 17.866 -0.307 -1.348 1.00 0.00 C ATOM 1008 CD1 LEU B 585 17.013 0.718 -2.080 1.00 0.00 C ATOM 1009 CD2 LEU B 585 17.076 -1.585 -1.106 1.00 0.00 C ATOM 0 H LEU B 585 19.301 -3.021 -2.593 1.00 0.00 H new ATOM 0 HA LEU B 585 17.938 -0.944 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU B 585 19.746 -1.305 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU B 585 19.715 0.316 -2.224 1.00 0.00 H new ATOM 0 HG LEU B 585 18.150 0.110 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU B 585 16.110 0.918 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU B 585 17.578 1.642 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU B 585 16.739 0.329 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU B 585 16.172 -1.353 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU B 585 16.803 -2.031 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU B 585 17.686 -2.288 -0.539 1.00 0.00 H new ATOM 1021 N LEU B 586 21.230 -0.785 -4.238 1.00 0.00 N ATOM 1022 CA LEU B 586 22.291 -0.249 -5.084 1.00 0.00 C ATOM 1023 C LEU B 586 22.175 -0.784 -6.508 1.00 0.00 C ATOM 1024 O LEU B 586 22.658 -0.165 -7.455 1.00 0.00 O ATOM 1025 CB LEU B 586 23.661 -0.604 -4.504 1.00 0.00 C ATOM 1026 CG LEU B 586 24.191 -1.999 -4.838 1.00 0.00 C ATOM 1027 CD1 LEU B 586 24.966 -1.976 -6.146 1.00 0.00 C ATOM 1028 CD2 LEU B 586 25.064 -2.522 -3.707 1.00 0.00 C ATOM 0 H LEU B 586 21.560 -1.332 -3.443 1.00 0.00 H new ATOM 0 HA LEU B 586 22.185 0.835 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU B 586 24.384 0.131 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU B 586 23.610 -0.507 -3.420 1.00 0.00 H new ATOM 0 HG LEU B 586 23.341 -2.672 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU B 586 25.336 -2.977 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU B 586 24.311 -1.645 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU B 586 25.808 -1.290 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU B 586 25.433 -3.516 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU B 586 25.908 -1.849 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU B 586 24.477 -2.577 -2.790 1.00 0.00 H new ATOM 1040 N GLU B 587 21.529 -1.938 -6.650 1.00 0.00 N ATOM 1041 CA GLU B 587 21.349 -2.555 -7.959 1.00 0.00 C ATOM 1042 C GLU B 587 20.260 -1.839 -8.753 1.00 0.00 C ATOM 1043 O GLU B 587 20.189 -1.958 -9.976 1.00 0.00 O ATOM 1044 CB GLU B 587 20.993 -4.035 -7.805 1.00 0.00 C ATOM 1045 CG GLU B 587 20.697 -4.730 -9.123 1.00 0.00 C ATOM 1046 CD GLU B 587 20.717 -6.242 -9.002 1.00 0.00 C ATOM 1047 OE1 GLU B 587 20.209 -6.764 -7.988 1.00 0.00 O ATOM 1048 OE2 GLU B 587 21.241 -6.903 -9.924 1.00 0.00 O ATOM 0 H GLU B 587 21.122 -2.463 -5.876 1.00 0.00 H new ATOM 0 HA GLU B 587 22.289 -2.469 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU B 587 21.817 -4.549 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU B 587 20.124 -4.125 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU B 587 19.720 -4.411 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU B 587 21.431 -4.419 -9.867 1.00 0.00 H new ATOM 1055 N ILE B 588 19.413 -1.096 -8.047 1.00 0.00 N ATOM 1056 CA ILE B 588 18.328 -0.361 -8.685 1.00 0.00 C ATOM 1057 C ILE B 588 18.838 0.454 -9.870 1.00 0.00 C ATOM 1058 O ILE B 588 18.430 0.233 -11.010 1.00 0.00 O ATOM 1059 CB ILE B 588 17.627 0.584 -7.691 1.00 0.00 C ATOM 1060 CG1 ILE B 588 16.916 -0.223 -6.603 1.00 0.00 C ATOM 1061 CG2 ILE B 588 16.642 1.484 -8.421 1.00 0.00 C ATOM 1062 CD1 ILE B 588 16.309 0.634 -5.515 1.00 0.00 C ATOM 0 H ILE B 588 19.458 -0.988 -7.034 1.00 0.00 H new ATOM 0 HA ILE B 588 17.610 -1.102 -9.038 1.00 0.00 H new ATOM 0 HB ILE B 588 18.380 1.213 -7.217 1.00 0.00 H new ATOM 0 HG12 ILE B 588 16.131 -0.823 -7.062 1.00 0.00 H new ATOM 0 HG13 ILE B 588 17.626 -0.917 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE B 588 16.155 2.146 -7.705 1.00 0.00 H new ATOM 0 HG22 ILE B 588 17.174 2.080 -9.162 1.00 0.00 H new ATOM 0 HG23 ILE B 588 15.890 0.872 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE B 588 15.822 -0.005 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE B 588 17.093 1.215 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE B 588 15.574 1.310 -5.952 1.00 0.00 H new ATOM 1074 N ASP B 589 19.734 1.394 -9.591 1.00 0.00 N ATOM 1075 CA ASP B 589 20.303 2.240 -10.634 1.00 0.00 C ATOM 1076 C ASP B 589 21.249 3.278 -10.036 1.00 0.00 C ATOM 1077 O ASP B 589 20.875 4.026 -9.135 1.00 0.00 O ATOM 1078 CB ASP B 589 19.191 2.938 -11.418 1.00 0.00 C ATOM 1079 CG ASP B 589 19.326 2.741 -12.915 1.00 0.00 C ATOM 1080 OD1 ASP B 589 20.471 2.736 -13.412 1.00 0.00 O ATOM 1081 OD2 ASP B 589 18.286 2.590 -13.589 1.00 0.00 O ATOM 0 H ASP B 589 20.082 1.589 -8.652 1.00 0.00 H new ATOM 0 HA ASP B 589 20.871 1.604 -11.313 1.00 0.00 H new ATOM 0 HB2 ASP B 589 18.224 2.556 -11.090 1.00 0.00 H new ATOM 0 HB3 ASP B 589 19.205 4.004 -11.192 1.00 0.00 H new ATOM 1086 N ASN B 590 22.476 3.315 -10.545 1.00 0.00 N ATOM 1087 CA ASN B 590 23.476 4.259 -10.060 1.00 0.00 C ATOM 1088 C ASN B 590 23.075 5.693 -10.388 1.00 0.00 C ATOM 1089 O ASN B 590 23.426 6.628 -9.668 1.00 0.00 O ATOM 1090 CB ASN B 590 24.843 3.947 -10.674 1.00 0.00 C ATOM 1091 CG ASN B 590 25.414 2.633 -10.175 1.00 0.00 C ATOM 1092 OD1 ASN B 590 24.754 1.596 -10.230 1.00 0.00 O ATOM 1093 ND2 ASN B 590 26.648 2.673 -9.686 1.00 0.00 N ATOM 0 H ASN B 590 22.802 2.703 -11.293 1.00 0.00 H new ATOM 0 HA ASN B 590 23.540 4.157 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN B 590 24.751 3.911 -11.760 1.00 0.00 H new ATOM 0 HB3 ASN B 590 25.537 4.754 -10.439 1.00 0.00 H new ATOM 0 HD21 ASN B 590 27.086 1.821 -9.336 1.00 0.00 H new ATOM 0 HD22 ASN B 590 27.158 3.556 -9.660 1.00 0.00 H new ATOM 1100 N SER B 591 22.336 5.860 -11.481 1.00 0.00 N ATOM 1101 CA SER B 591 21.888 7.181 -11.907 1.00 0.00 C ATOM 1102 C SER B 591 20.984 7.814 -10.854 1.00 0.00 C ATOM 1103 O SER B 591 21.150 8.980 -10.499 1.00 0.00 O ATOM 1104 CB SER B 591 21.146 7.085 -13.241 1.00 0.00 C ATOM 1105 OG SER B 591 20.295 8.201 -13.433 1.00 0.00 O ATOM 0 H SER B 591 22.035 5.097 -12.087 1.00 0.00 H new ATOM 0 HA SER B 591 22.767 7.813 -12.033 1.00 0.00 H new ATOM 0 HB2 SER B 591 21.866 7.028 -14.058 1.00 0.00 H new ATOM 0 HB3 SER B 591 20.559 6.167 -13.269 1.00 0.00 H new ATOM 0 HG SER B 591 19.834 8.116 -14.293 1.00 0.00 H new ATOM 1111 N GLU B 592 20.027 7.035 -10.359 1.00 0.00 N ATOM 1112 CA GLU B 592 19.096 7.520 -9.347 1.00 0.00 C ATOM 1113 C GLU B 592 19.757 7.555 -7.971 1.00 0.00 C ATOM 1114 O GLU B 592 19.574 8.503 -7.206 1.00 0.00 O ATOM 1115 CB GLU B 592 17.849 6.634 -9.303 1.00 0.00 C ATOM 1116 CG GLU B 592 17.156 6.492 -10.648 1.00 0.00 C ATOM 1117 CD GLU B 592 16.414 7.749 -11.058 1.00 0.00 C ATOM 1118 OE1 GLU B 592 17.059 8.663 -11.613 1.00 0.00 O ATOM 1119 OE2 GLU B 592 15.190 7.819 -10.824 1.00 0.00 O ATOM 0 H GLU B 592 19.876 6.067 -10.642 1.00 0.00 H new ATOM 0 HA GLU B 592 18.803 8.535 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU B 592 18.129 5.644 -8.942 1.00 0.00 H new ATOM 0 HB3 GLU B 592 17.144 7.049 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU B 592 17.896 6.247 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU B 592 16.455 5.659 -10.605 1.00 0.00 H new ATOM 1126 N LEU B 593 20.525 6.516 -7.664 1.00 0.00 N ATOM 1127 CA LEU B 593 21.213 6.426 -6.381 1.00 0.00 C ATOM 1128 C LEU B 593 22.069 7.664 -6.134 1.00 0.00 C ATOM 1129 O LEU B 593 22.045 8.242 -5.047 1.00 0.00 O ATOM 1130 CB LEU B 593 22.087 5.171 -6.335 1.00 0.00 C ATOM 1131 CG LEU B 593 21.342 3.837 -6.280 1.00 0.00 C ATOM 1132 CD1 LEU B 593 22.207 2.719 -6.841 1.00 0.00 C ATOM 1133 CD2 LEU B 593 20.920 3.521 -4.852 1.00 0.00 C ATOM 0 H LEU B 593 20.687 5.724 -8.286 1.00 0.00 H new ATOM 0 HA LEU B 593 20.459 6.365 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU B 593 22.731 5.169 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU B 593 22.738 5.237 -5.463 1.00 0.00 H new ATOM 0 HG LEU B 593 20.445 3.918 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU B 593 21.660 1.777 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU B 593 22.460 2.940 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU B 593 23.122 2.637 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU B 593 20.391 2.568 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU B 593 21.804 3.459 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU B 593 20.263 4.309 -4.484 1.00 0.00 H new ATOM 1145 N LEU B 594 22.823 8.068 -7.151 1.00 0.00 N ATOM 1146 CA LEU B 594 23.685 9.240 -7.046 1.00 0.00 C ATOM 1147 C LEU B 594 22.914 10.436 -6.495 1.00 0.00 C ATOM 1148 O LEU B 594 23.451 11.232 -5.724 1.00 0.00 O ATOM 1149 CB LEU B 594 24.276 9.587 -8.414 1.00 0.00 C ATOM 1150 CG LEU B 594 25.761 9.951 -8.430 1.00 0.00 C ATOM 1151 CD1 LEU B 594 26.510 9.094 -9.439 1.00 0.00 C ATOM 1152 CD2 LEU B 594 25.945 11.429 -8.743 1.00 0.00 C ATOM 0 H LEU B 594 22.855 7.601 -8.057 1.00 0.00 H new ATOM 0 HA LEU B 594 24.495 9.004 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU B 594 24.123 8.737 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU B 594 23.713 10.423 -8.830 1.00 0.00 H new ATOM 0 HG LEU B 594 26.174 9.755 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU B 594 27.565 9.367 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU B 594 26.407 8.043 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU B 594 26.095 9.257 -10.434 1.00 0.00 H new ATOM 0 HD21 LEU B 594 27.008 11.670 -8.750 1.00 0.00 H new ATOM 0 HD22 LEU B 594 25.516 11.650 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU B 594 25.443 12.027 -7.983 1.00 0.00 H new ATOM 1164 N HIS B 595 21.652 10.554 -6.894 1.00 0.00 N ATOM 1165 CA HIS B 595 20.806 11.651 -6.437 1.00 0.00 C ATOM 1166 C HIS B 595 20.131 11.302 -5.114 1.00 0.00 C ATOM 1167 O HIS B 595 19.768 12.187 -4.339 1.00 0.00 O ATOM 1168 CB HIS B 595 19.748 11.980 -7.491 1.00 0.00 C ATOM 1169 CG HIS B 595 19.270 13.399 -7.438 1.00 0.00 C ATOM 1170 ND1 HIS B 595 20.118 14.482 -7.531 1.00 0.00 N ATOM 1171 CD2 HIS B 595 18.024 13.908 -7.301 1.00 0.00 C ATOM 1172 CE1 HIS B 595 19.414 15.597 -7.453 1.00 0.00 C ATOM 1173 NE2 HIS B 595 18.140 15.277 -7.313 1.00 0.00 N ATOM 0 H HIS B 595 21.193 9.904 -7.532 1.00 0.00 H new ATOM 0 HA HIS B 595 21.439 12.525 -6.282 1.00 0.00 H new ATOM 0 HB2 HIS B 595 20.159 11.780 -8.481 1.00 0.00 H new ATOM 0 HB3 HIS B 595 18.896 11.313 -7.359 1.00 0.00 H new ATOM 0 HD2 HIS B 595 17.109 13.343 -7.201 1.00 0.00 H new ATOM 0 HE1 HIS B 595 19.812 16.600 -7.496 1.00 0.00 H new ATOM 0 HE2 HIS B 595 17.368 15.938 -7.228 1.00 0.00 H new ATOM 1181 N MET B 596 19.966 10.008 -4.862 1.00 0.00 N ATOM 1182 CA MET B 596 19.335 9.543 -3.632 1.00 0.00 C ATOM 1183 C MET B 596 20.197 9.877 -2.419 1.00 0.00 C ATOM 1184 O MET B 596 19.681 10.147 -1.334 1.00 0.00 O ATOM 1185 CB MET B 596 19.090 8.034 -3.698 1.00 0.00 C ATOM 1186 CG MET B 596 17.916 7.647 -4.582 1.00 0.00 C ATOM 1187 SD MET B 596 17.813 5.869 -4.862 1.00 0.00 S ATOM 1188 CE MET B 596 17.911 5.256 -3.182 1.00 0.00 C ATOM 0 H MET B 596 20.260 9.263 -5.493 1.00 0.00 H new ATOM 0 HA MET B 596 18.378 10.055 -3.528 1.00 0.00 H new ATOM 0 HB2 MET B 596 19.990 7.544 -4.069 1.00 0.00 H new ATOM 0 HB3 MET B 596 18.915 7.658 -2.690 1.00 0.00 H new ATOM 0 HG2 MET B 596 16.990 7.992 -4.122 1.00 0.00 H new ATOM 0 HG3 MET B 596 18.005 8.157 -5.541 1.00 0.00 H new ATOM 0 HE1 MET B 596 17.684 4.190 -3.170 1.00 0.00 H new ATOM 0 HE2 MET B 596 18.917 5.417 -2.794 1.00 0.00 H new ATOM 0 HE3 MET B 596 17.192 5.787 -2.558 1.00 0.00 H new ATOM 1198 N LEU B 597 21.512 9.858 -2.610 1.00 0.00 N ATOM 1199 CA LEU B 597 22.446 10.159 -1.530 1.00 0.00 C ATOM 1200 C LEU B 597 22.073 11.465 -0.836 1.00 0.00 C ATOM 1201 O LEU B 597 22.035 11.537 0.392 1.00 0.00 O ATOM 1202 CB LEU B 597 23.873 10.247 -2.074 1.00 0.00 C ATOM 1203 CG LEU B 597 24.312 9.107 -2.994 1.00 0.00 C ATOM 1204 CD1 LEU B 597 25.801 9.200 -3.286 1.00 0.00 C ATOM 1205 CD2 LEU B 597 23.971 7.760 -2.374 1.00 0.00 C ATOM 0 H LEU B 597 21.955 9.638 -3.502 1.00 0.00 H new ATOM 0 HA LEU B 597 22.391 9.352 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU B 597 23.976 11.186 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU B 597 24.560 10.291 -1.229 1.00 0.00 H new ATOM 0 HG LEU B 597 23.772 9.198 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU B 597 26.095 8.381 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU B 597 26.018 10.151 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU B 597 26.360 9.135 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU B 597 24.291 6.960 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU B 597 24.483 7.660 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU B 597 22.894 7.694 -2.218 1.00 0.00 H new ATOM 1217 N GLU B 598 21.797 12.494 -1.631 1.00 0.00 N ATOM 1218 CA GLU B 598 21.426 13.797 -1.092 1.00 0.00 C ATOM 1219 C GLU B 598 19.909 13.957 -1.051 1.00 0.00 C ATOM 1220 O GLU B 598 19.391 15.074 -1.044 1.00 0.00 O ATOM 1221 CB GLU B 598 22.045 14.917 -1.931 1.00 0.00 C ATOM 1222 CG GLU B 598 23.507 14.684 -2.273 1.00 0.00 C ATOM 1223 CD GLU B 598 24.359 14.423 -1.046 1.00 0.00 C ATOM 1224 OE1 GLU B 598 24.413 15.304 -0.163 1.00 0.00 O ATOM 1225 OE2 GLU B 598 24.970 13.337 -0.969 1.00 0.00 O ATOM 0 H GLU B 598 21.823 12.451 -2.650 1.00 0.00 H new ATOM 0 HA GLU B 598 21.809 13.862 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU B 598 21.477 15.024 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU B 598 21.953 15.859 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU B 598 23.586 13.836 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU B 598 23.896 15.554 -2.802 1.00 0.00 H new ATOM 1232 N SER B 599 19.202 12.832 -1.025 1.00 0.00 N ATOM 1233 CA SER B 599 17.744 12.846 -0.990 1.00 0.00 C ATOM 1234 C SER B 599 17.221 12.002 0.169 1.00 0.00 C ATOM 1235 O SER B 599 16.823 10.849 0.000 1.00 0.00 O ATOM 1236 CB SER B 599 17.176 12.326 -2.312 1.00 0.00 C ATOM 1237 OG SER B 599 16.603 13.377 -3.069 1.00 0.00 O ATOM 0 H SER B 599 19.615 11.899 -1.028 1.00 0.00 H new ATOM 0 HA SER B 599 17.418 13.876 -0.843 1.00 0.00 H new ATOM 0 HB2 SER B 599 17.968 11.848 -2.889 1.00 0.00 H new ATOM 0 HB3 SER B 599 16.422 11.564 -2.113 1.00 0.00 H new ATOM 0 HG SER B 599 16.249 13.019 -3.910 1.00 0.00 H new ATOM 1243 N PRO B 600 17.220 12.589 1.374 1.00 0.00 N ATOM 1244 CA PRO B 600 16.748 11.911 2.585 1.00 0.00 C ATOM 1245 C PRO B 600 15.238 11.699 2.579 1.00 0.00 C ATOM 1246 O PRO B 600 14.697 11.010 3.444 1.00 0.00 O ATOM 1247 CB PRO B 600 17.149 12.871 3.708 1.00 0.00 C ATOM 1248 CG PRO B 600 17.216 14.209 3.057 1.00 0.00 C ATOM 1249 CD PRO B 600 17.680 13.961 1.648 1.00 0.00 C ATOM 0 HA PRO B 600 17.175 10.913 2.686 1.00 0.00 H new ATOM 0 HB2 PRO B 600 16.419 12.861 4.517 1.00 0.00 H new ATOM 0 HB3 PRO B 600 18.110 12.593 4.142 1.00 0.00 H new ATOM 0 HG2 PRO B 600 16.241 14.697 3.067 1.00 0.00 H new ATOM 0 HG3 PRO B 600 17.907 14.866 3.585 1.00 0.00 H new ATOM 0 HD2 PRO B 600 17.246 14.677 0.950 1.00 0.00 H new ATOM 0 HD3 PRO B 600 18.763 14.047 1.561 1.00 0.00 H new ATOM 1257 N GLU B 601 14.565 12.294 1.600 1.00 0.00 N ATOM 1258 CA GLU B 601 13.117 12.169 1.483 1.00 0.00 C ATOM 1259 C GLU B 601 12.742 10.960 0.632 1.00 0.00 C ATOM 1260 O GLU B 601 11.594 10.514 0.638 1.00 0.00 O ATOM 1261 CB GLU B 601 12.521 13.440 0.875 1.00 0.00 C ATOM 1262 CG GLU B 601 12.960 13.693 -0.558 1.00 0.00 C ATOM 1263 CD GLU B 601 12.765 15.136 -0.982 1.00 0.00 C ATOM 1264 OE1 GLU B 601 11.602 15.588 -1.028 1.00 0.00 O ATOM 1265 OE2 GLU B 601 13.775 15.812 -1.267 1.00 0.00 O ATOM 0 H GLU B 601 14.999 12.867 0.876 1.00 0.00 H new ATOM 0 HA GLU B 601 12.708 12.027 2.483 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.434 13.372 0.906 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.805 14.294 1.489 1.00 0.00 H new ATOM 0 HG2 GLU B 601 14.011 13.426 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.397 13.042 -1.227 1.00 0.00 H new ATOM 1272 N SER B 602 13.718 10.433 -0.101 1.00 0.00 N ATOM 1273 CA SER B 602 13.491 9.278 -0.961 1.00 0.00 C ATOM 1274 C SER B 602 14.169 8.035 -0.393 1.00 0.00 C ATOM 1275 O SER B 602 13.621 6.933 -0.451 1.00 0.00 O ATOM 1276 CB SER B 602 14.012 9.557 -2.372 1.00 0.00 C ATOM 1277 OG SER B 602 13.403 8.696 -3.320 1.00 0.00 O ATOM 0 H SER B 602 14.674 10.788 -0.116 1.00 0.00 H new ATOM 0 HA SER B 602 12.417 9.096 -1.007 1.00 0.00 H new ATOM 0 HB2 SER B 602 13.813 10.595 -2.638 1.00 0.00 H new ATOM 0 HB3 SER B 602 15.094 9.424 -2.397 1.00 0.00 H new ATOM 0 HG SER B 602 13.751 8.895 -4.214 1.00 0.00 H new ATOM 1283 N LEU B 603 15.364 8.220 0.157 1.00 0.00 N ATOM 1284 CA LEU B 603 16.118 7.115 0.738 1.00 0.00 C ATOM 1285 C LEU B 603 15.259 6.325 1.720 1.00 0.00 C ATOM 1286 O LEU B 603 15.187 5.098 1.650 1.00 0.00 O ATOM 1287 CB LEU B 603 17.369 7.641 1.445 1.00 0.00 C ATOM 1288 CG LEU B 603 18.183 6.608 2.225 1.00 0.00 C ATOM 1289 CD1 LEU B 603 18.814 5.599 1.277 1.00 0.00 C ATOM 1290 CD2 LEU B 603 19.251 7.294 3.064 1.00 0.00 C ATOM 0 H LEU B 603 15.832 9.125 0.213 1.00 0.00 H new ATOM 0 HA LEU B 603 16.418 6.448 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU B 603 18.019 8.098 0.699 1.00 0.00 H new ATOM 0 HB3 LEU B 603 17.068 8.432 2.133 1.00 0.00 H new ATOM 0 HG LEU B 603 17.510 6.074 2.896 1.00 0.00 H new ATOM 0 HD11 LEU B 603 19.389 4.872 1.850 1.00 0.00 H new ATOM 0 HD12 LEU B 603 18.031 5.084 0.720 1.00 0.00 H new ATOM 0 HD13 LEU B 603 19.474 6.117 0.581 1.00 0.00 H new ATOM 0 HD21 LEU B 603 19.821 6.544 3.612 1.00 0.00 H new ATOM 0 HD22 LEU B 603 19.922 7.854 2.412 1.00 0.00 H new ATOM 0 HD23 LEU B 603 18.777 7.977 3.769 1.00 0.00 H new ATOM 1302 N ARG B 604 14.608 7.037 2.633 1.00 0.00 N ATOM 1303 CA ARG B 604 13.752 6.403 3.629 1.00 0.00 C ATOM 1304 C ARG B 604 12.684 5.543 2.960 1.00 0.00 C ATOM 1305 O ARG B 604 12.447 4.404 3.362 1.00 0.00 O ATOM 1306 CB ARG B 604 13.090 7.462 4.513 1.00 0.00 C ATOM 1307 CG ARG B 604 14.075 8.436 5.138 1.00 0.00 C ATOM 1308 CD ARG B 604 15.030 7.730 6.088 1.00 0.00 C ATOM 1309 NE ARG B 604 16.175 8.568 6.435 1.00 0.00 N ATOM 1310 CZ ARG B 604 16.913 8.388 7.525 1.00 0.00 C ATOM 1311 NH1 ARG B 604 16.628 7.406 8.368 1.00 0.00 N ATOM 1312 NH2 ARG B 604 17.939 9.192 7.773 1.00 0.00 N ATOM 0 H ARG B 604 14.657 8.053 2.704 1.00 0.00 H new ATOM 0 HA ARG B 604 14.375 5.760 4.250 1.00 0.00 H new ATOM 0 HB2 ARG B 604 12.368 8.021 3.917 1.00 0.00 H new ATOM 0 HB3 ARG B 604 12.532 6.964 5.306 1.00 0.00 H new ATOM 0 HG2 ARG B 604 14.643 8.934 4.353 1.00 0.00 H new ATOM 0 HG3 ARG B 604 13.530 9.211 5.677 1.00 0.00 H new ATOM 0 HD2 ARG B 604 14.497 7.450 6.997 1.00 0.00 H new ATOM 0 HD3 ARG B 604 15.382 6.807 5.628 1.00 0.00 H new ATOM 0 HE ARG B 604 16.421 9.333 5.807 1.00 0.00 H new ATOM 0 HH11 ARG B 604 15.840 6.786 8.181 1.00 0.00 H new ATOM 0 HH12 ARG B 604 17.197 7.270 9.204 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.162 9.949 7.127 1.00 0.00 H new ATOM 0 HH22 ARG B 604 18.505 9.053 8.610 1.00 0.00 H new ATOM 1326 N SER B 605 12.041 6.097 1.937 1.00 0.00 N ATOM 1327 CA SER B 605 10.995 5.383 1.214 1.00 0.00 C ATOM 1328 C SER B 605 11.524 4.067 0.653 1.00 0.00 C ATOM 1329 O SER B 605 10.913 3.012 0.830 1.00 0.00 O ATOM 1330 CB SER B 605 10.446 6.250 0.079 1.00 0.00 C ATOM 1331 OG SER B 605 10.353 7.608 0.474 1.00 0.00 O ATOM 0 H SER B 605 12.226 7.038 1.590 1.00 0.00 H new ATOM 0 HA SER B 605 10.190 5.162 1.915 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.094 6.165 -0.794 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.462 5.886 -0.218 1.00 0.00 H new ATOM 0 HG SER B 605 10.001 8.141 -0.269 1.00 0.00 H new ATOM 1337 N LYS B 606 12.664 4.135 -0.024 1.00 0.00 N ATOM 1338 CA LYS B 606 13.279 2.950 -0.611 1.00 0.00 C ATOM 1339 C LYS B 606 13.520 1.881 0.449 1.00 0.00 C ATOM 1340 O LYS B 606 13.009 0.765 0.348 1.00 0.00 O ATOM 1341 CB LYS B 606 14.600 3.319 -1.290 1.00 0.00 C ATOM 1342 CG LYS B 606 14.424 4.009 -2.631 1.00 0.00 C ATOM 1343 CD LYS B 606 13.707 3.115 -3.629 1.00 0.00 C ATOM 1344 CE LYS B 606 13.678 3.739 -5.016 1.00 0.00 C ATOM 1345 NZ LYS B 606 14.894 3.396 -5.803 1.00 0.00 N ATOM 0 H LYS B 606 13.182 5.000 -0.180 1.00 0.00 H new ATOM 0 HA LYS B 606 12.595 2.548 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS B 606 15.169 3.971 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS B 606 15.191 2.414 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS B 606 13.858 4.931 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS B 606 15.400 4.289 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS B 606 14.205 2.147 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS B 606 12.687 2.933 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS B 606 12.791 3.397 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS B 606 13.597 4.822 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 15.275 4.256 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 15.611 2.985 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 14.647 2.707 -6.541 1.00 0.00 H new ATOM 1359 N VAL B 607 14.301 2.228 1.467 1.00 0.00 N ATOM 1360 CA VAL B 607 14.608 1.299 2.547 1.00 0.00 C ATOM 1361 C VAL B 607 13.336 0.680 3.118 1.00 0.00 C ATOM 1362 O VAL B 607 13.224 -0.540 3.230 1.00 0.00 O ATOM 1363 CB VAL B 607 15.382 1.994 3.683 1.00 0.00 C ATOM 1364 CG1 VAL B 607 15.810 0.982 4.735 1.00 0.00 C ATOM 1365 CG2 VAL B 607 16.585 2.740 3.128 1.00 0.00 C ATOM 0 H VAL B 607 14.733 3.147 1.566 1.00 0.00 H new ATOM 0 HA VAL B 607 15.232 0.513 2.120 1.00 0.00 H new ATOM 0 HB VAL B 607 14.722 2.719 4.159 1.00 0.00 H new ATOM 0 HG11 VAL B 607 16.355 1.492 5.529 1.00 0.00 H new ATOM 0 HG12 VAL B 607 14.928 0.497 5.154 1.00 0.00 H new ATOM 0 HG13 VAL B 607 16.454 0.231 4.277 1.00 0.00 H new ATOM 0 HG21 VAL B 607 17.120 3.225 3.944 1.00 0.00 H new ATOM 0 HG22 VAL B 607 17.249 2.037 2.626 1.00 0.00 H new ATOM 0 HG23 VAL B 607 16.249 3.494 2.416 1.00 0.00 H new ATOM 1375 N ASP B 608 12.381 1.531 3.476 1.00 0.00 N ATOM 1376 CA ASP B 608 11.115 1.068 4.034 1.00 0.00 C ATOM 1377 C ASP B 608 10.409 0.123 3.068 1.00 0.00 C ATOM 1378 O ASP B 608 9.884 -0.914 3.472 1.00 0.00 O ATOM 1379 CB ASP B 608 10.211 2.259 4.357 1.00 0.00 C ATOM 1380 CG ASP B 608 8.940 1.843 5.072 1.00 0.00 C ATOM 1381 OD1 ASP B 608 8.764 0.630 5.313 1.00 0.00 O ATOM 1382 OD2 ASP B 608 8.121 2.730 5.390 1.00 0.00 O ATOM 0 H ASP B 608 12.459 2.544 3.390 1.00 0.00 H new ATOM 0 HA ASP B 608 11.328 0.524 4.954 1.00 0.00 H new ATOM 0 HB2 ASP B 608 10.758 2.969 4.977 1.00 0.00 H new ATOM 0 HB3 ASP B 608 9.952 2.776 3.433 1.00 0.00 H new ATOM 1387 N GLU B 609 10.398 0.491 1.790 1.00 0.00 N ATOM 1388 CA GLU B 609 9.754 -0.324 0.767 1.00 0.00 C ATOM 1389 C GLU B 609 10.307 -1.747 0.776 1.00 0.00 C ATOM 1390 O GLU B 609 9.551 -2.718 0.750 1.00 0.00 O ATOM 1391 CB GLU B 609 9.951 0.302 -0.615 1.00 0.00 C ATOM 1392 CG GLU B 609 9.082 1.525 -0.858 1.00 0.00 C ATOM 1393 CD GLU B 609 7.735 1.173 -1.459 1.00 0.00 C ATOM 1394 OE1 GLU B 609 7.709 0.411 -2.448 1.00 0.00 O ATOM 1395 OE2 GLU B 609 6.708 1.660 -0.942 1.00 0.00 O ATOM 0 H GLU B 609 10.827 1.347 1.439 1.00 0.00 H new ATOM 0 HA GLU B 609 8.688 -0.365 0.991 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.998 0.581 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.733 -0.446 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.929 2.051 0.085 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.605 2.211 -1.524 1.00 0.00 H new ATOM 1402 N ALA B 610 11.630 -1.860 0.813 1.00 0.00 N ATOM 1403 CA ALA B 610 12.285 -3.162 0.827 1.00 0.00 C ATOM 1404 C ALA B 610 11.908 -3.953 2.075 1.00 0.00 C ATOM 1405 O ALA B 610 11.377 -5.060 1.985 1.00 0.00 O ATOM 1406 CB ALA B 610 13.795 -2.995 0.742 1.00 0.00 C ATOM 0 H ALA B 610 12.270 -1.066 0.834 1.00 0.00 H new ATOM 0 HA ALA B 610 11.943 -3.722 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA B 610 14.271 -3.976 0.753 1.00 0.00 H new ATOM 0 HB2 ALA B 610 14.052 -2.478 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA B 610 14.145 -2.412 1.594 1.00 0.00 H new ATOM 1412 N VAL B 611 12.188 -3.378 3.241 1.00 0.00 N ATOM 1413 CA VAL B 611 11.878 -4.029 4.508 1.00 0.00 C ATOM 1414 C VAL B 611 10.421 -4.476 4.555 1.00 0.00 C ATOM 1415 O VAL B 611 10.094 -5.503 5.149 1.00 0.00 O ATOM 1416 CB VAL B 611 12.156 -3.096 5.701 1.00 0.00 C ATOM 1417 CG1 VAL B 611 11.718 -3.749 7.004 1.00 0.00 C ATOM 1418 CG2 VAL B 611 13.629 -2.722 5.753 1.00 0.00 C ATOM 0 H VAL B 611 12.629 -2.463 3.334 1.00 0.00 H new ATOM 0 HA VAL B 611 12.525 -4.903 4.581 1.00 0.00 H new ATOM 0 HB VAL B 611 11.577 -2.182 5.567 1.00 0.00 H new ATOM 0 HG11 VAL B 611 11.922 -3.075 7.836 1.00 0.00 H new ATOM 0 HG12 VAL B 611 10.650 -3.962 6.963 1.00 0.00 H new ATOM 0 HG13 VAL B 611 12.268 -4.679 7.148 1.00 0.00 H new ATOM 0 HG21 VAL B 611 13.807 -2.062 6.602 1.00 0.00 H new ATOM 0 HG22 VAL B 611 14.230 -3.625 5.862 1.00 0.00 H new ATOM 0 HG23 VAL B 611 13.907 -2.210 4.832 1.00 0.00 H new ATOM 1428 N ALA B 612 9.548 -3.696 3.923 1.00 0.00 N ATOM 1429 CA ALA B 612 8.126 -4.012 3.890 1.00 0.00 C ATOM 1430 C ALA B 612 7.837 -5.142 2.908 1.00 0.00 C ATOM 1431 O ALA B 612 6.998 -6.005 3.168 1.00 0.00 O ATOM 1432 CB ALA B 612 7.319 -2.775 3.526 1.00 0.00 C ATOM 0 H ALA B 612 9.802 -2.841 3.428 1.00 0.00 H new ATOM 0 HA ALA B 612 7.830 -4.346 4.885 1.00 0.00 H new ATOM 0 HB1 ALA B 612 6.258 -3.026 3.505 1.00 0.00 H new ATOM 0 HB2 ALA B 612 7.493 -1.996 4.268 1.00 0.00 H new ATOM 0 HB3 ALA B 612 7.626 -2.416 2.544 1.00 0.00 H new ATOM 1438 N VAL B 613 8.538 -5.132 1.778 1.00 0.00 N ATOM 1439 CA VAL B 613 8.357 -6.157 0.757 1.00 0.00 C ATOM 1440 C VAL B 613 8.507 -7.554 1.348 1.00 0.00 C ATOM 1441 O VAL B 613 7.940 -8.521 0.837 1.00 0.00 O ATOM 1442 CB VAL B 613 9.366 -5.987 -0.394 1.00 0.00 C ATOM 1443 CG1 VAL B 613 10.526 -6.958 -0.235 1.00 0.00 C ATOM 1444 CG2 VAL B 613 8.679 -6.180 -1.737 1.00 0.00 C ATOM 0 H VAL B 613 9.236 -4.425 1.547 1.00 0.00 H new ATOM 0 HA VAL B 613 7.347 -6.038 0.365 1.00 0.00 H new ATOM 0 HB VAL B 613 9.765 -4.973 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL B 613 11.229 -6.823 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL B 613 11.033 -6.767 0.711 1.00 0.00 H new ATOM 0 HG13 VAL B 613 10.148 -7.980 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL B 613 9.407 -6.056 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.251 -7.181 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL B 613 7.886 -5.441 -1.850 1.00 0.00 H new ATOM 1454 N LEU B 614 9.274 -7.654 2.428 1.00 0.00 N ATOM 1455 CA LEU B 614 9.500 -8.934 3.090 1.00 0.00 C ATOM 1456 C LEU B 614 8.283 -9.343 3.914 1.00 0.00 C ATOM 1457 O LEU B 614 7.959 -10.526 4.016 1.00 0.00 O ATOM 1458 CB LEU B 614 10.735 -8.855 3.989 1.00 0.00 C ATOM 1459 CG LEU B 614 11.039 -10.101 4.823 1.00 0.00 C ATOM 1460 CD1 LEU B 614 10.194 -10.116 6.087 1.00 0.00 C ATOM 1461 CD2 LEU B 614 10.802 -11.361 4.004 1.00 0.00 C ATOM 0 H LEU B 614 9.750 -6.864 2.864 1.00 0.00 H new ATOM 0 HA LEU B 614 9.666 -9.688 2.321 1.00 0.00 H new ATOM 0 HB2 LEU B 614 11.602 -8.640 3.364 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.613 -8.010 4.666 1.00 0.00 H new ATOM 0 HG LEU B 614 12.089 -10.074 5.114 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.424 -11.009 6.668 1.00 0.00 H new ATOM 0 HD12 LEU B 614 10.414 -9.230 6.682 1.00 0.00 H new ATOM 0 HD13 LEU B 614 9.138 -10.120 5.818 1.00 0.00 H new ATOM 0 HD21 LEU B 614 11.023 -12.238 4.613 1.00 0.00 H new ATOM 0 HD22 LEU B 614 9.761 -11.396 3.683 1.00 0.00 H new ATOM 0 HD23 LEU B 614 11.452 -11.354 3.129 1.00 0.00 H new ATOM 1473 N GLN B 615 7.612 -8.356 4.498 1.00 0.00 N ATOM 1474 CA GLN B 615 6.429 -8.613 5.312 1.00 0.00 C ATOM 1475 C GLN B 615 5.426 -9.478 4.556 1.00 0.00 C ATOM 1476 O GLN B 615 4.659 -10.227 5.160 1.00 0.00 O ATOM 1477 CB GLN B 615 5.773 -7.295 5.726 1.00 0.00 C ATOM 1478 CG GLN B 615 6.713 -6.351 6.459 1.00 0.00 C ATOM 1479 CD GLN B 615 6.518 -6.384 7.962 1.00 0.00 C ATOM 1480 OE1 GLN B 615 5.389 -6.408 8.453 1.00 0.00 O ATOM 1481 NE2 GLN B 615 7.620 -6.384 8.702 1.00 0.00 N ATOM 0 H GLN B 615 7.867 -7.371 4.423 1.00 0.00 H new ATOM 0 HA GLN B 615 6.744 -9.151 6.206 1.00 0.00 H new ATOM 0 HB2 GLN B 615 5.390 -6.795 4.837 1.00 0.00 H new ATOM 0 HB3 GLN B 615 4.916 -7.510 6.365 1.00 0.00 H new ATOM 0 HG2 GLN B 615 7.744 -6.616 6.224 1.00 0.00 H new ATOM 0 HG3 GLN B 615 6.555 -5.335 6.098 1.00 0.00 H new ATOM 0 HE21 GLN B 615 8.536 -6.364 8.253 1.00 0.00 H new ATOM 0 HE22 GLN B 615 7.551 -6.404 9.719 1.00 0.00 H new ATOM 1490 N ALA B 616 5.439 -9.370 3.231 1.00 0.00 N ATOM 1491 CA ALA B 616 4.531 -10.144 2.393 1.00 0.00 C ATOM 1492 C ALA B 616 4.980 -11.598 2.296 1.00 0.00 C ATOM 1493 O ALA B 616 4.154 -12.511 2.254 1.00 0.00 O ATOM 1494 CB ALA B 616 4.437 -9.525 1.006 1.00 0.00 C ATOM 0 H ALA B 616 6.068 -8.754 2.715 1.00 0.00 H new ATOM 0 HA ALA B 616 3.544 -10.126 2.855 1.00 0.00 H new ATOM 0 HB1 ALA B 616 3.756 -10.113 0.391 1.00 0.00 H new ATOM 0 HB2 ALA B 616 4.063 -8.504 1.088 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.425 -9.514 0.545 1.00 0.00 H new