USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 909 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 622 THR OG1 : rot 180:sc= -0.0022 USER MOD Set 1.2: A 624 SER OG : rot 40:sc= 0.34 USER MOD Set 2.1: A 600 THR OG1 : rot -78:sc= -1.28! USER MOD Set 2.2: A 605 GLN : amide:sc= -3.81! C(o=-5.1!,f=-5!) USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 530 GLN : amide:sc= -2.59 K(o=-2.6,f=-1.4) USER MOD Single : A 531 HIS : no HD1:sc= -0.639 K(o=-0.64,f=0.17) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -168:sc= -0.0755 (180deg=-0.302) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 THR OG1 : rot 103:sc= 0.777 USER MOD Single : A 552 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 553 TYR OH : rot 180:sc= 0.653 USER MOD Single : A 556 CYS SG : rot 180:sc= 0 USER MOD Single : A 558 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 MET CE :methyl 152:sc= -0.415 (180deg=-1.5!) USER MOD Single : A 561 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0.87) USER MOD Single : A 562 GLN : amide:sc= -2.17! K(o=-2.2!,f=0) USER MOD Single : A 568 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.2) USER MOD Single : A 569 TYR OH : rot 30:sc= 0 USER MOD Single : A 571 SER OG : rot 102:sc= 1.23 USER MOD Single : A 573 ASN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 576 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.052) USER MOD Single : A 577 SER OG : rot 180:sc= 0.0079 USER MOD Single : A 582 HIS : no HD1:sc= 0.196 K(o=0.2,f=-7.4!) USER MOD Single : A 584 SER OG : rot 130:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 164:sc= -0.0324 (180deg=-0.34) USER MOD Single : A 608 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.43) USER MOD Single : A 610 SER OG : rot 76:sc= 0.855 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 11.047 -18.310 -7.840 1.00 0.00 N ATOM 2 CA ARG A 516 10.185 -18.058 -6.667 1.00 0.00 C ATOM 3 C ARG A 516 9.864 -16.575 -6.550 1.00 0.00 C ATOM 4 O ARG A 516 10.759 -15.730 -6.617 1.00 0.00 O ATOM 5 CB ARG A 516 10.868 -18.552 -5.390 1.00 0.00 C ATOM 6 CG ARG A 516 10.894 -20.068 -5.253 1.00 0.00 C ATOM 7 CD ARG A 516 9.488 -20.645 -5.151 1.00 0.00 C ATOM 8 NE ARG A 516 8.733 -20.043 -4.053 1.00 0.00 N ATOM 9 CZ ARG A 516 7.478 -20.363 -3.740 1.00 0.00 C ATOM 10 NH1 ARG A 516 6.830 -21.296 -4.428 1.00 0.00 N ATOM 11 NH2 ARG A 516 6.874 -19.743 -2.735 1.00 0.00 N ATOM 0 HA ARG A 516 9.252 -18.606 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.891 -18.177 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.355 -18.127 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 516 11.405 -20.503 -6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 516 11.467 -20.344 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 516 8.959 -20.481 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 516 9.547 -21.723 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 516 9.198 -19.331 -3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 516 7.293 -21.773 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 516 5.869 -21.536 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 516 7.370 -19.025 -2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 516 5.913 -19.984 -2.491 1.00 0.00 H new ATOM 27 N ARG A 517 8.583 -16.264 -6.390 1.00 0.00 N ATOM 28 CA ARG A 517 8.143 -14.883 -6.242 1.00 0.00 C ATOM 29 C ARG A 517 8.616 -14.301 -4.917 1.00 0.00 C ATOM 30 O ARG A 517 8.716 -15.012 -3.917 1.00 0.00 O ATOM 31 CB ARG A 517 6.620 -14.787 -6.329 1.00 0.00 C ATOM 32 CG ARG A 517 6.063 -15.094 -7.707 1.00 0.00 C ATOM 33 CD ARG A 517 4.563 -14.862 -7.757 1.00 0.00 C ATOM 34 NE ARG A 517 4.030 -14.993 -9.112 1.00 0.00 N ATOM 35 CZ ARG A 517 2.748 -14.810 -9.428 1.00 0.00 C ATOM 36 NH1 ARG A 517 1.861 -14.508 -8.488 1.00 0.00 N ATOM 37 NH2 ARG A 517 2.354 -14.931 -10.687 1.00 0.00 N ATOM 0 H ARG A 517 7.830 -16.951 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 517 8.582 -14.307 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 517 6.180 -15.476 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 517 6.312 -13.783 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 517 6.556 -14.466 -8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 517 6.283 -16.129 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 517 4.064 -15.576 -7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 517 4.338 -13.867 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 517 4.678 -15.239 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 517 2.159 -14.415 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 517 0.882 -14.369 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 517 3.031 -15.164 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 517 1.373 -14.791 -10.930 1.00 0.00 H new ATOM 51 N ARG A 518 8.904 -13.010 -4.920 1.00 0.00 N ATOM 52 CA ARG A 518 9.344 -12.320 -3.719 1.00 0.00 C ATOM 53 C ARG A 518 8.149 -12.066 -2.812 1.00 0.00 C ATOM 54 O ARG A 518 7.187 -11.402 -3.204 1.00 0.00 O ATOM 55 CB ARG A 518 10.046 -11.004 -4.095 1.00 0.00 C ATOM 56 CG ARG A 518 10.651 -10.240 -2.919 1.00 0.00 C ATOM 57 CD ARG A 518 9.618 -9.397 -2.181 1.00 0.00 C ATOM 58 NE ARG A 518 8.985 -8.413 -3.061 1.00 0.00 N ATOM 59 CZ ARG A 518 8.348 -7.320 -2.639 1.00 0.00 C ATOM 60 NH1 ARG A 518 8.231 -7.064 -1.343 1.00 0.00 N ATOM 61 NH2 ARG A 518 7.814 -6.485 -3.521 1.00 0.00 N ATOM 0 H ARG A 518 8.840 -12.416 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 518 10.060 -12.941 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 518 10.837 -11.223 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 518 9.328 -10.357 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 518 11.103 -10.947 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 518 11.451 -9.594 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 518 8.854 -10.049 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 518 10.097 -8.883 -1.348 1.00 0.00 H new ATOM 0 HE ARG A 518 9.035 -8.575 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 518 8.630 -7.706 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 518 7.742 -6.225 -1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 518 7.891 -6.680 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 518 7.326 -5.648 -3.201 1.00 0.00 H new ATOM 75 N ILE A 519 8.211 -12.599 -1.605 1.00 0.00 N ATOM 76 CA ILE A 519 7.111 -12.481 -0.667 1.00 0.00 C ATOM 77 C ILE A 519 7.504 -11.577 0.489 1.00 0.00 C ATOM 78 O ILE A 519 8.647 -11.601 0.945 1.00 0.00 O ATOM 79 CB ILE A 519 6.691 -13.856 -0.115 1.00 0.00 C ATOM 80 CG1 ILE A 519 6.812 -14.923 -1.210 1.00 0.00 C ATOM 81 CG2 ILE A 519 5.266 -13.796 0.423 1.00 0.00 C ATOM 82 CD1 ILE A 519 6.292 -16.286 -0.803 1.00 0.00 C ATOM 0 H ILE A 519 9.014 -13.119 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 519 6.266 -12.050 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 519 7.356 -14.126 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 519 6.268 -14.587 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 519 7.859 -15.016 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 519 4.982 -14.774 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 519 5.210 -13.059 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 519 4.586 -13.512 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 519 6.413 -16.984 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 519 6.852 -16.646 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 519 5.236 -16.210 -0.544 1.00 0.00 H new ATOM 94 N ALA A 520 6.567 -10.770 0.946 1.00 0.00 N ATOM 95 CA ALA A 520 6.827 -9.849 2.034 1.00 0.00 C ATOM 96 C ALA A 520 6.006 -10.206 3.265 1.00 0.00 C ATOM 97 O ALA A 520 4.902 -10.743 3.160 1.00 0.00 O ATOM 98 CB ALA A 520 6.532 -8.425 1.592 1.00 0.00 C ATOM 0 H ALA A 520 5.616 -10.734 0.579 1.00 0.00 H new ATOM 0 HA ALA A 520 7.881 -9.926 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 520 6.730 -7.740 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.168 -8.168 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.486 -8.345 1.297 1.00 0.00 H new ATOM 104 N THR A 521 6.560 -9.912 4.424 1.00 0.00 N ATOM 105 CA THR A 521 5.857 -10.061 5.682 1.00 0.00 C ATOM 106 C THR A 521 5.404 -8.703 6.194 1.00 0.00 C ATOM 107 O THR A 521 6.105 -7.711 6.011 1.00 0.00 O ATOM 108 CB THR A 521 6.765 -10.727 6.726 1.00 0.00 C ATOM 109 OG1 THR A 521 8.128 -10.401 6.445 1.00 0.00 O ATOM 110 CG2 THR A 521 6.586 -12.235 6.730 1.00 0.00 C ATOM 0 H THR A 521 7.513 -9.562 4.520 1.00 0.00 H new ATOM 0 HA THR A 521 4.984 -10.692 5.516 1.00 0.00 H new ATOM 0 HB THR A 521 6.489 -10.353 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 521 8.709 -10.824 7.111 1.00 0.00 H new ATOM 0 HG21 THR A 521 7.242 -12.677 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 521 5.550 -12.478 6.966 1.00 0.00 H new ATOM 0 HG23 THR A 521 6.837 -12.634 5.747 1.00 0.00 H new ATOM 118 N PRO A 522 4.228 -8.635 6.839 1.00 0.00 N ATOM 119 CA PRO A 522 3.681 -7.377 7.349 1.00 0.00 C ATOM 120 C PRO A 522 4.679 -6.624 8.224 1.00 0.00 C ATOM 121 O PRO A 522 4.813 -5.406 8.120 1.00 0.00 O ATOM 122 CB PRO A 522 2.457 -7.806 8.176 1.00 0.00 C ATOM 123 CG PRO A 522 2.542 -9.292 8.294 1.00 0.00 C ATOM 124 CD PRO A 522 3.335 -9.766 7.111 1.00 0.00 C ATOM 0 HA PRO A 522 3.434 -6.691 6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 522 2.466 -7.335 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 522 1.530 -7.506 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 522 3.026 -9.580 9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 522 1.548 -9.739 8.299 1.00 0.00 H new ATOM 0 HD2 PRO A 522 3.892 -10.675 7.337 1.00 0.00 H new ATOM 0 HD3 PRO A 522 2.694 -9.988 6.258 1.00 0.00 H new ATOM 132 N GLU A 523 5.367 -7.359 9.091 1.00 0.00 N ATOM 133 CA GLU A 523 6.375 -6.771 9.968 1.00 0.00 C ATOM 134 C GLU A 523 7.472 -6.067 9.154 1.00 0.00 C ATOM 135 O GLU A 523 7.958 -5.007 9.542 1.00 0.00 O ATOM 136 CB GLU A 523 6.980 -7.836 10.890 1.00 0.00 C ATOM 137 CG GLU A 523 7.524 -9.055 10.161 1.00 0.00 C ATOM 138 CD GLU A 523 7.976 -10.143 11.112 1.00 0.00 C ATOM 139 OE1 GLU A 523 9.143 -10.110 11.550 1.00 0.00 O ATOM 140 OE2 GLU A 523 7.163 -11.039 11.427 1.00 0.00 O ATOM 0 H GLU A 523 5.245 -8.365 9.206 1.00 0.00 H new ATOM 0 HA GLU A 523 5.885 -6.021 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 523 7.785 -7.384 11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 523 6.219 -8.161 11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 523 6.755 -9.452 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 523 8.362 -8.755 9.532 1.00 0.00 H new ATOM 147 N GLU A 524 7.865 -6.664 8.034 1.00 0.00 N ATOM 148 CA GLU A 524 8.822 -6.043 7.128 1.00 0.00 C ATOM 149 C GLU A 524 8.192 -4.873 6.377 1.00 0.00 C ATOM 150 O GLU A 524 8.856 -3.890 6.079 1.00 0.00 O ATOM 151 CB GLU A 524 9.359 -7.067 6.134 1.00 0.00 C ATOM 152 CG GLU A 524 10.154 -8.185 6.781 1.00 0.00 C ATOM 153 CD GLU A 524 11.359 -7.694 7.553 1.00 0.00 C ATOM 154 OE1 GLU A 524 11.208 -7.360 8.747 1.00 0.00 O ATOM 155 OE2 GLU A 524 12.471 -7.674 6.982 1.00 0.00 O ATOM 0 H GLU A 524 7.534 -7.580 7.732 1.00 0.00 H new ATOM 0 HA GLU A 524 9.648 -5.662 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.523 -7.499 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.991 -6.558 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 524 9.502 -8.742 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 524 10.484 -8.880 6.009 1.00 0.00 H new ATOM 162 N VAL A 525 6.907 -4.987 6.069 1.00 0.00 N ATOM 163 CA VAL A 525 6.203 -3.946 5.324 1.00 0.00 C ATOM 164 C VAL A 525 6.018 -2.680 6.168 1.00 0.00 C ATOM 165 O VAL A 525 5.998 -1.568 5.639 1.00 0.00 O ATOM 166 CB VAL A 525 4.828 -4.442 4.821 1.00 0.00 C ATOM 167 CG1 VAL A 525 4.098 -3.347 4.058 1.00 0.00 C ATOM 168 CG2 VAL A 525 4.986 -5.677 3.946 1.00 0.00 C ATOM 0 H VAL A 525 6.329 -5.788 6.322 1.00 0.00 H new ATOM 0 HA VAL A 525 6.823 -3.703 4.461 1.00 0.00 H new ATOM 0 HB VAL A 525 4.232 -4.708 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 525 3.134 -3.723 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 525 3.941 -2.490 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 525 4.695 -3.043 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 525 4.006 -6.008 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 525 5.609 -5.435 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 525 5.457 -6.473 4.522 1.00 0.00 H new ATOM 178 N ARG A 526 5.874 -2.844 7.479 1.00 0.00 N ATOM 179 CA ARG A 526 5.782 -1.693 8.376 1.00 0.00 C ATOM 180 C ARG A 526 7.157 -1.115 8.674 1.00 0.00 C ATOM 181 O ARG A 526 7.265 0.005 9.159 1.00 0.00 O ATOM 182 CB ARG A 526 5.080 -2.046 9.690 1.00 0.00 C ATOM 183 CG ARG A 526 5.730 -3.178 10.464 1.00 0.00 C ATOM 184 CD ARG A 526 4.921 -3.539 11.698 1.00 0.00 C ATOM 185 NE ARG A 526 4.729 -2.390 12.581 1.00 0.00 N ATOM 186 CZ ARG A 526 3.891 -2.374 13.616 1.00 0.00 C ATOM 187 NH1 ARG A 526 3.174 -3.451 13.913 1.00 0.00 N ATOM 188 NH2 ARG A 526 3.767 -1.276 14.351 1.00 0.00 N ATOM 0 H ARG A 526 5.819 -3.751 7.942 1.00 0.00 H new ATOM 0 HA ARG A 526 5.184 -0.943 7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 526 5.052 -1.159 10.323 1.00 0.00 H new ATOM 0 HB3 ARG A 526 4.046 -2.316 9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 526 5.826 -4.053 9.821 1.00 0.00 H new ATOM 0 HG3 ARG A 526 6.738 -2.887 10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 526 3.950 -3.929 11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 526 5.427 -4.335 12.244 1.00 0.00 H new ATOM 0 HE ARG A 526 5.271 -1.547 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 526 3.264 -4.295 13.348 1.00 0.00 H new ATOM 0 HH12 ARG A 526 2.533 -3.434 14.707 1.00 0.00 H new ATOM 0 HH21 ARG A 526 4.313 -0.445 14.123 1.00 0.00 H new ATOM 0 HH22 ARG A 526 3.125 -1.263 15.144 1.00 0.00 H new ATOM 202 N LEU A 527 8.202 -1.887 8.400 1.00 0.00 N ATOM 203 CA LEU A 527 9.580 -1.447 8.615 1.00 0.00 C ATOM 204 C LEU A 527 9.852 -0.070 7.983 1.00 0.00 C ATOM 205 O LEU A 527 10.314 0.837 8.669 1.00 0.00 O ATOM 206 CB LEU A 527 10.550 -2.499 8.053 1.00 0.00 C ATOM 207 CG LEU A 527 11.726 -2.885 8.951 1.00 0.00 C ATOM 208 CD1 LEU A 527 12.739 -1.758 9.020 1.00 0.00 C ATOM 209 CD2 LEU A 527 11.236 -3.253 10.341 1.00 0.00 C ATOM 0 H LEU A 527 8.122 -2.832 8.024 1.00 0.00 H new ATOM 0 HA LEU A 527 9.737 -1.342 9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 527 9.982 -3.401 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 527 10.948 -2.127 7.109 1.00 0.00 H new ATOM 0 HG LEU A 527 12.217 -3.757 8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 527 13.568 -2.053 9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 527 13.115 -1.545 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 527 12.263 -0.866 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 527 12.086 -3.525 10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 527 10.719 -2.401 10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 527 10.551 -4.098 10.273 1.00 0.00 H new ATOM 221 N PRO A 528 9.569 0.120 6.677 1.00 0.00 N ATOM 222 CA PRO A 528 9.778 1.409 6.012 1.00 0.00 C ATOM 223 C PRO A 528 8.903 2.505 6.597 1.00 0.00 C ATOM 224 O PRO A 528 9.274 3.678 6.587 1.00 0.00 O ATOM 225 CB PRO A 528 9.402 1.141 4.551 1.00 0.00 C ATOM 226 CG PRO A 528 8.564 -0.087 4.582 1.00 0.00 C ATOM 227 CD PRO A 528 9.054 -0.893 5.744 1.00 0.00 C ATOM 0 HA PRO A 528 10.802 1.763 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 528 8.853 1.981 4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 528 10.290 0.996 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 528 7.510 0.163 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 528 8.658 -0.647 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 528 8.251 -1.479 6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 528 9.833 -1.595 5.445 1.00 0.00 H new ATOM 235 N LEU A 529 7.756 2.113 7.138 1.00 0.00 N ATOM 236 CA LEU A 529 6.827 3.059 7.743 1.00 0.00 C ATOM 237 C LEU A 529 7.446 3.678 8.989 1.00 0.00 C ATOM 238 O LEU A 529 7.021 4.736 9.457 1.00 0.00 O ATOM 239 CB LEU A 529 5.510 2.363 8.101 1.00 0.00 C ATOM 240 CG LEU A 529 4.872 1.542 6.976 1.00 0.00 C ATOM 241 CD1 LEU A 529 3.495 1.049 7.390 1.00 0.00 C ATOM 242 CD2 LEU A 529 4.781 2.355 5.699 1.00 0.00 C ATOM 0 H LEU A 529 7.446 1.142 7.170 1.00 0.00 H new ATOM 0 HA LEU A 529 6.618 3.849 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 529 5.686 1.705 8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 529 4.796 3.120 8.425 1.00 0.00 H new ATOM 0 HG LEU A 529 5.507 0.677 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 529 3.057 0.468 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 529 3.584 0.423 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 529 2.854 1.903 7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 529 4.325 1.751 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 529 4.172 3.242 5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 529 5.781 2.658 5.388 1.00 0.00 H new ATOM 254 N GLN A 530 8.456 3.000 9.518 1.00 0.00 N ATOM 255 CA GLN A 530 9.178 3.467 10.690 1.00 0.00 C ATOM 256 C GLN A 530 10.316 4.397 10.271 1.00 0.00 C ATOM 257 O GLN A 530 10.911 5.081 11.102 1.00 0.00 O ATOM 258 CB GLN A 530 9.748 2.273 11.463 1.00 0.00 C ATOM 259 CG GLN A 530 8.806 1.079 11.525 1.00 0.00 C ATOM 260 CD GLN A 530 9.403 -0.111 12.244 1.00 0.00 C ATOM 261 OE1 GLN A 530 10.256 0.030 13.121 1.00 0.00 O ATOM 262 NE2 GLN A 530 8.951 -1.296 11.877 1.00 0.00 N ATOM 0 H GLN A 530 8.796 2.113 9.146 1.00 0.00 H new ATOM 0 HA GLN A 530 8.488 4.015 11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 530 10.683 1.963 10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 530 9.987 2.589 12.478 1.00 0.00 H new ATOM 0 HG2 GLN A 530 7.886 1.376 12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 530 8.535 0.785 10.511 1.00 0.00 H new ATOM 0 HE21 GLN A 530 8.244 -1.368 11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 530 9.309 -2.140 12.325 1.00 0.00 H new ATOM 271 N HIS A 531 10.607 4.420 8.972 1.00 0.00 N ATOM 272 CA HIS A 531 11.724 5.200 8.445 1.00 0.00 C ATOM 273 C HIS A 531 11.256 6.190 7.389 1.00 0.00 C ATOM 274 O HIS A 531 11.740 6.174 6.256 1.00 0.00 O ATOM 275 CB HIS A 531 12.787 4.289 7.824 1.00 0.00 C ATOM 276 CG HIS A 531 13.436 3.348 8.791 1.00 0.00 C ATOM 277 ND1 HIS A 531 14.507 3.736 9.557 1.00 0.00 N ATOM 278 CD2 HIS A 531 13.131 2.062 9.076 1.00 0.00 C ATOM 279 CE1 HIS A 531 14.826 2.683 10.289 1.00 0.00 C ATOM 280 NE2 HIS A 531 14.019 1.644 10.033 1.00 0.00 N ATOM 0 H HIS A 531 10.083 3.906 8.264 1.00 0.00 H new ATOM 0 HA HIS A 531 12.154 5.744 9.286 1.00 0.00 H new ATOM 0 HB2 HIS A 531 12.328 3.709 7.023 1.00 0.00 H new ATOM 0 HB3 HIS A 531 13.558 4.909 7.367 1.00 0.00 H new ATOM 0 HD2 HIS A 531 12.339 1.476 8.634 1.00 0.00 H new ATOM 0 HE1 HIS A 531 15.635 2.662 11.004 1.00 0.00 H new ATOM 0 HE2 HIS A 531 14.058 0.721 10.466 1.00 0.00 H new ATOM 288 N GLY A 532 10.316 7.043 7.749 1.00 0.00 N ATOM 289 CA GLY A 532 9.882 8.078 6.833 1.00 0.00 C ATOM 290 C GLY A 532 8.829 7.620 5.836 1.00 0.00 C ATOM 291 O GLY A 532 7.877 8.353 5.560 1.00 0.00 O ATOM 0 H GLY A 532 9.845 7.041 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 532 9.484 8.914 7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 532 10.748 8.451 6.286 1.00 0.00 H new ATOM 295 N TRP A 533 9.006 6.426 5.275 1.00 0.00 N ATOM 296 CA TRP A 533 8.080 5.901 4.276 1.00 0.00 C ATOM 297 C TRP A 533 6.673 5.764 4.837 1.00 0.00 C ATOM 298 O TRP A 533 6.479 5.582 6.040 1.00 0.00 O ATOM 299 CB TRP A 533 8.545 4.535 3.770 1.00 0.00 C ATOM 300 CG TRP A 533 9.850 4.569 3.043 1.00 0.00 C ATOM 301 CD1 TRP A 533 11.097 4.587 3.595 1.00 0.00 C ATOM 302 CD2 TRP A 533 10.036 4.565 1.626 1.00 0.00 C ATOM 303 NE1 TRP A 533 12.046 4.630 2.607 1.00 0.00 N ATOM 304 CE2 TRP A 533 11.421 4.607 1.388 1.00 0.00 C ATOM 305 CE3 TRP A 533 9.163 4.538 0.536 1.00 0.00 C ATOM 306 CZ2 TRP A 533 11.953 4.619 0.101 1.00 0.00 C ATOM 307 CZ3 TRP A 533 9.692 4.547 -0.739 1.00 0.00 C ATOM 308 CH2 TRP A 533 11.075 4.587 -0.948 1.00 0.00 C ATOM 0 H TRP A 533 9.783 5.804 5.496 1.00 0.00 H new ATOM 0 HA TRP A 533 8.065 6.613 3.451 1.00 0.00 H new ATOM 0 HB2 TRP A 533 8.630 3.855 4.617 1.00 0.00 H new ATOM 0 HB3 TRP A 533 7.782 4.125 3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 533 11.306 4.570 4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 533 13.054 4.672 2.755 1.00 0.00 H new ATOM 0 HE3 TRP A 533 8.094 4.511 0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 13.020 4.652 -0.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 9.027 4.523 -1.590 1.00 0.00 H new ATOM 0 HH2 TRP A 533 11.457 4.593 -1.958 1.00 0.00 H new ATOM 319 N ARG A 534 5.694 5.858 3.956 1.00 0.00 N ATOM 320 CA ARG A 534 4.308 5.647 4.319 1.00 0.00 C ATOM 321 C ARG A 534 3.693 4.656 3.353 1.00 0.00 C ATOM 322 O ARG A 534 4.215 4.460 2.254 1.00 0.00 O ATOM 323 CB ARG A 534 3.526 6.959 4.260 1.00 0.00 C ATOM 324 CG ARG A 534 3.954 7.982 5.293 1.00 0.00 C ATOM 325 CD ARG A 534 3.087 9.222 5.215 1.00 0.00 C ATOM 326 NE ARG A 534 3.504 10.242 6.173 1.00 0.00 N ATOM 327 CZ ARG A 534 3.040 11.489 6.181 1.00 0.00 C ATOM 328 NH1 ARG A 534 2.136 11.879 5.289 1.00 0.00 N ATOM 329 NH2 ARG A 534 3.483 12.350 7.087 1.00 0.00 N ATOM 0 H ARG A 534 5.838 6.082 2.971 1.00 0.00 H new ATOM 0 HA ARG A 534 4.265 5.263 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 534 3.639 7.393 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 534 2.466 6.744 4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 534 3.886 7.548 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 534 4.998 8.252 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 534 3.131 9.632 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 534 2.048 8.951 5.403 1.00 0.00 H new ATOM 0 HE ARG A 534 4.193 9.983 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 534 1.792 11.220 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 534 1.786 12.837 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 534 4.177 12.055 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 534 3.130 13.307 7.097 1.00 0.00 H new ATOM 343 N ARG A 535 2.592 4.039 3.745 1.00 0.00 N ATOM 344 CA ARG A 535 1.895 3.145 2.848 1.00 0.00 C ATOM 345 C ARG A 535 0.399 3.263 3.069 1.00 0.00 C ATOM 346 O ARG A 535 -0.110 2.973 4.154 1.00 0.00 O ATOM 347 CB ARG A 535 2.341 1.709 3.100 1.00 0.00 C ATOM 348 CG ARG A 535 1.863 0.726 2.053 1.00 0.00 C ATOM 349 CD ARG A 535 1.273 -0.511 2.692 1.00 0.00 C ATOM 350 NE ARG A 535 1.414 -1.695 1.847 1.00 0.00 N ATOM 351 CZ ARG A 535 0.490 -2.647 1.734 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.664 -2.533 2.378 1.00 0.00 N ATOM 353 NH2 ARG A 535 0.714 -3.701 0.961 1.00 0.00 N ATOM 0 H ARG A 535 2.168 4.141 4.667 1.00 0.00 H new ATOM 0 HA ARG A 535 2.129 3.416 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 535 3.430 1.679 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 535 1.975 1.391 4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 535 1.116 1.202 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 535 2.696 0.444 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 535 1.762 -0.691 3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 535 0.217 -0.340 2.901 1.00 0.00 H new ATOM 0 HE ARG A 535 2.275 -1.799 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 535 -0.844 -1.715 2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 535 -1.371 -3.263 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 535 1.595 -3.783 0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 535 0.006 -4.430 0.875 1.00 0.00 H new ATOM 367 N GLU A 536 -0.292 3.670 2.032 1.00 0.00 N ATOM 368 CA GLU A 536 -1.715 3.919 2.109 1.00 0.00 C ATOM 369 C GLU A 536 -2.438 3.128 1.030 1.00 0.00 C ATOM 370 O GLU A 536 -1.995 3.088 -0.110 1.00 0.00 O ATOM 371 CB GLU A 536 -1.962 5.419 1.961 1.00 0.00 C ATOM 372 CG GLU A 536 -1.538 6.206 3.189 1.00 0.00 C ATOM 373 CD GLU A 536 -1.214 7.657 2.896 1.00 0.00 C ATOM 374 OE1 GLU A 536 -2.029 8.343 2.240 1.00 0.00 O ATOM 375 OE2 GLU A 536 -0.137 8.123 3.327 1.00 0.00 O ATOM 0 H GLU A 536 0.113 3.838 1.111 1.00 0.00 H new ATOM 0 HA GLU A 536 -2.104 3.594 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 536 -1.418 5.789 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 536 -3.021 5.592 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -2.335 6.163 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -0.664 5.729 3.632 1.00 0.00 H new ATOM 382 N VAL A 537 -3.548 2.506 1.384 1.00 0.00 N ATOM 383 CA VAL A 537 -4.235 1.617 0.457 1.00 0.00 C ATOM 384 C VAL A 537 -5.613 2.152 0.114 1.00 0.00 C ATOM 385 O VAL A 537 -6.420 2.437 0.996 1.00 0.00 O ATOM 386 CB VAL A 537 -4.370 0.186 1.033 1.00 0.00 C ATOM 387 CG1 VAL A 537 -5.053 -0.746 0.039 1.00 0.00 C ATOM 388 CG2 VAL A 537 -3.007 -0.363 1.421 1.00 0.00 C ATOM 0 H VAL A 537 -3.992 2.597 2.298 1.00 0.00 H new ATOM 0 HA VAL A 537 -3.629 1.572 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 537 -4.992 0.242 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 537 -5.134 -1.743 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 537 -6.050 -0.368 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 537 -4.465 -0.794 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 537 -3.121 -1.369 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 537 -2.364 -0.395 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 537 -2.557 0.281 2.176 1.00 0.00 H new ATOM 398 N ARG A 538 -5.869 2.290 -1.170 1.00 0.00 N ATOM 399 CA ARG A 538 -7.155 2.782 -1.641 1.00 0.00 C ATOM 400 C ARG A 538 -7.975 1.646 -2.230 1.00 0.00 C ATOM 401 O ARG A 538 -7.528 0.962 -3.150 1.00 0.00 O ATOM 402 CB ARG A 538 -6.975 3.896 -2.681 1.00 0.00 C ATOM 403 CG ARG A 538 -6.756 5.278 -2.078 1.00 0.00 C ATOM 404 CD ARG A 538 -5.409 5.394 -1.385 1.00 0.00 C ATOM 405 NE ARG A 538 -5.306 6.622 -0.599 1.00 0.00 N ATOM 406 CZ ARG A 538 -4.160 7.237 -0.318 1.00 0.00 C ATOM 407 NH1 ARG A 538 -3.018 6.794 -0.832 1.00 0.00 N ATOM 408 NH2 ARG A 538 -4.158 8.306 0.464 1.00 0.00 N ATOM 0 H ARG A 538 -5.204 2.069 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 538 -7.688 3.197 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -6.125 3.650 -3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -7.856 3.926 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -6.825 6.030 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -7.550 5.491 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -5.260 4.532 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -4.614 5.372 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 538 -6.168 7.034 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -3.017 5.979 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -2.142 7.269 -0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -5.034 8.657 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -3.280 8.778 0.680 1.00 0.00 H new ATOM 422 N ILE A 539 -9.167 1.435 -1.687 1.00 0.00 N ATOM 423 CA ILE A 539 -10.058 0.412 -2.202 1.00 0.00 C ATOM 424 C ILE A 539 -11.307 1.038 -2.812 1.00 0.00 C ATOM 425 O ILE A 539 -12.016 1.811 -2.166 1.00 0.00 O ATOM 426 CB ILE A 539 -10.470 -0.562 -1.093 1.00 0.00 C ATOM 427 CG1 ILE A 539 -9.228 -1.083 -0.372 1.00 0.00 C ATOM 428 CG2 ILE A 539 -11.276 -1.715 -1.674 1.00 0.00 C ATOM 429 CD1 ILE A 539 -9.535 -2.082 0.713 1.00 0.00 C ATOM 0 H ILE A 539 -9.535 1.958 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 539 -9.518 -0.135 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 539 -11.097 -0.036 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 539 -8.562 -1.544 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 539 -8.690 -0.240 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 539 -11.562 -2.399 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 539 -12.173 -1.326 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 539 -10.672 -2.248 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 539 -8.606 -2.408 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 539 -10.176 -1.619 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 539 -10.045 -2.943 0.281 1.00 0.00 H new ATOM 441 N LYS A 540 -11.551 0.703 -4.066 1.00 0.00 N ATOM 442 CA LYS A 540 -12.698 1.230 -4.787 1.00 0.00 C ATOM 443 C LYS A 540 -13.490 0.136 -5.488 1.00 0.00 C ATOM 444 O LYS A 540 -12.934 -0.864 -5.951 1.00 0.00 O ATOM 445 CB LYS A 540 -12.243 2.288 -5.796 1.00 0.00 C ATOM 446 CG LYS A 540 -11.201 1.786 -6.784 1.00 0.00 C ATOM 447 CD LYS A 540 -10.620 2.919 -7.614 1.00 0.00 C ATOM 448 CE LYS A 540 -11.680 3.604 -8.462 1.00 0.00 C ATOM 449 NZ LYS A 540 -11.113 4.732 -9.247 1.00 0.00 N ATOM 0 H LYS A 540 -10.968 0.066 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 540 -13.362 1.689 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 540 -13.111 2.647 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 540 -11.835 3.142 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 540 -10.399 1.283 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 540 -11.653 1.046 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 540 -10.155 3.651 -6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 540 -9.834 2.529 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 540 -12.128 2.878 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 540 -12.478 3.974 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 -11.865 5.174 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 -10.707 5.437 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 -10.369 4.375 -9.880 1.00 0.00 H new ATOM 463 N LYS A 541 -14.796 0.338 -5.552 1.00 0.00 N ATOM 464 CA LYS A 541 -15.658 -0.582 -6.266 1.00 0.00 C ATOM 465 C LYS A 541 -15.545 -0.318 -7.762 1.00 0.00 C ATOM 466 O LYS A 541 -15.638 0.828 -8.207 1.00 0.00 O ATOM 467 CB LYS A 541 -17.112 -0.411 -5.810 1.00 0.00 C ATOM 468 CG LYS A 541 -18.122 -1.160 -6.665 1.00 0.00 C ATOM 469 CD LYS A 541 -17.997 -2.664 -6.500 1.00 0.00 C ATOM 470 CE LYS A 541 -18.963 -3.405 -7.408 1.00 0.00 C ATOM 471 NZ LYS A 541 -20.366 -2.949 -7.224 1.00 0.00 N ATOM 0 H LYS A 541 -15.278 1.127 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 541 -15.348 -1.605 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -17.201 -0.752 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -17.362 0.650 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -19.130 -0.847 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -17.978 -0.896 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -16.976 -2.972 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -18.191 -2.935 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -18.668 -3.258 -8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -18.901 -4.474 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -21.011 -3.609 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -20.592 -2.921 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -20.478 -1.998 -7.630 1.00 0.00 H new ATOM 485 N GLY A 542 -15.326 -1.371 -8.528 1.00 0.00 N ATOM 486 CA GLY A 542 -15.207 -1.229 -9.960 1.00 0.00 C ATOM 487 C GLY A 542 -16.427 -1.757 -10.679 1.00 0.00 C ATOM 488 O GLY A 542 -17.280 -2.411 -10.073 1.00 0.00 O ATOM 0 H GLY A 542 -15.228 -2.326 -8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 542 -15.064 -0.178 -10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -14.322 -1.763 -10.306 1.00 0.00 H new ATOM 492 N SER A 543 -16.517 -1.471 -11.969 1.00 0.00 N ATOM 493 CA SER A 543 -17.638 -1.924 -12.776 1.00 0.00 C ATOM 494 C SER A 543 -17.548 -3.427 -13.020 1.00 0.00 C ATOM 495 O SER A 543 -18.542 -4.080 -13.334 1.00 0.00 O ATOM 496 CB SER A 543 -17.656 -1.178 -14.109 1.00 0.00 C ATOM 497 OG SER A 543 -17.576 0.227 -13.910 1.00 0.00 O ATOM 0 H SER A 543 -15.824 -0.925 -12.480 1.00 0.00 H new ATOM 0 HA SER A 543 -18.562 -1.715 -12.237 1.00 0.00 H new ATOM 0 HB2 SER A 543 -16.821 -1.509 -14.726 1.00 0.00 H new ATOM 0 HB3 SER A 543 -18.569 -1.420 -14.652 1.00 0.00 H new ATOM 0 HG SER A 543 -17.588 0.682 -14.778 1.00 0.00 H new ATOM 503 N HIS A 544 -16.348 -3.969 -12.870 1.00 0.00 N ATOM 504 CA HIS A 544 -16.118 -5.384 -13.107 1.00 0.00 C ATOM 505 C HIS A 544 -16.013 -6.139 -11.789 1.00 0.00 C ATOM 506 O HIS A 544 -16.674 -7.160 -11.593 1.00 0.00 O ATOM 507 CB HIS A 544 -14.839 -5.593 -13.926 1.00 0.00 C ATOM 508 CG HIS A 544 -14.792 -4.792 -15.190 1.00 0.00 C ATOM 509 ND1 HIS A 544 -13.723 -3.981 -15.484 1.00 0.00 N ATOM 510 CD2 HIS A 544 -15.694 -4.717 -16.196 1.00 0.00 C ATOM 511 CE1 HIS A 544 -13.998 -3.435 -16.656 1.00 0.00 C ATOM 512 NE2 HIS A 544 -15.181 -3.850 -17.126 1.00 0.00 N ATOM 0 H HIS A 544 -15.519 -3.448 -12.585 1.00 0.00 H new ATOM 0 HA HIS A 544 -16.966 -5.773 -13.670 1.00 0.00 H new ATOM 0 HB2 HIS A 544 -13.978 -5.333 -13.310 1.00 0.00 H new ATOM 0 HB3 HIS A 544 -14.746 -6.650 -14.174 1.00 0.00 H new ATOM 0 HD2 HIS A 544 -16.637 -5.240 -16.255 1.00 0.00 H new ATOM 0 HE1 HIS A 544 -13.350 -2.741 -17.170 1.00 0.00 H new ATOM 0 HE2 HIS A 544 -15.617 -3.574 -18.006 1.00 0.00 H new ATOM 520 N ARG A 545 -15.179 -5.637 -10.888 1.00 0.00 N ATOM 521 CA ARG A 545 -14.945 -6.303 -9.615 1.00 0.00 C ATOM 522 C ARG A 545 -14.526 -5.307 -8.541 1.00 0.00 C ATOM 523 O ARG A 545 -14.467 -4.101 -8.774 1.00 0.00 O ATOM 524 CB ARG A 545 -13.855 -7.370 -9.768 1.00 0.00 C ATOM 525 CG ARG A 545 -12.481 -6.796 -10.079 1.00 0.00 C ATOM 526 CD ARG A 545 -11.409 -7.872 -10.092 1.00 0.00 C ATOM 527 NE ARG A 545 -10.078 -7.307 -10.306 1.00 0.00 N ATOM 528 CZ ARG A 545 -8.961 -8.028 -10.392 1.00 0.00 C ATOM 529 NH1 ARG A 545 -9.002 -9.350 -10.273 1.00 0.00 N ATOM 530 NH2 ARG A 545 -7.800 -7.419 -10.590 1.00 0.00 N ATOM 0 H ARG A 545 -14.654 -4.772 -11.015 1.00 0.00 H new ATOM 0 HA ARG A 545 -15.880 -6.773 -9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 545 -13.797 -7.952 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 545 -14.141 -8.058 -10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 545 -12.507 -6.297 -11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 545 -12.227 -6.039 -9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 545 -11.426 -8.414 -9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 545 -11.628 -8.595 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 545 -9.999 -6.294 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 545 -9.893 -9.820 -10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 545 -8.142 -9.895 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 545 -7.765 -6.403 -10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 545 -6.942 -7.966 -10.657 1.00 0.00 H new ATOM 544 N TRP A 546 -14.242 -5.839 -7.367 1.00 0.00 N ATOM 545 CA TRP A 546 -13.691 -5.039 -6.287 1.00 0.00 C ATOM 546 C TRP A 546 -12.185 -4.959 -6.437 1.00 0.00 C ATOM 547 O TRP A 546 -11.507 -5.984 -6.532 1.00 0.00 O ATOM 548 CB TRP A 546 -14.055 -5.623 -4.926 1.00 0.00 C ATOM 549 CG TRP A 546 -15.419 -5.223 -4.478 1.00 0.00 C ATOM 550 CD1 TRP A 546 -16.590 -5.868 -4.739 1.00 0.00 C ATOM 551 CD2 TRP A 546 -15.754 -4.068 -3.703 1.00 0.00 C ATOM 552 NE1 TRP A 546 -17.635 -5.188 -4.165 1.00 0.00 N ATOM 553 CE2 TRP A 546 -17.148 -4.079 -3.522 1.00 0.00 C ATOM 554 CE3 TRP A 546 -15.008 -3.026 -3.140 1.00 0.00 C ATOM 555 CZ2 TRP A 546 -17.813 -3.089 -2.806 1.00 0.00 C ATOM 556 CZ3 TRP A 546 -15.670 -2.044 -2.430 1.00 0.00 C ATOM 557 CH2 TRP A 546 -17.060 -2.082 -2.268 1.00 0.00 C ATOM 0 H TRP A 546 -14.384 -6.822 -7.136 1.00 0.00 H new ATOM 0 HA TRP A 546 -14.118 -4.038 -6.344 1.00 0.00 H new ATOM 0 HB2 TRP A 546 -13.996 -6.710 -4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 546 -13.323 -5.296 -4.187 1.00 0.00 H new ATOM 0 HD1 TRP A 546 -16.682 -6.779 -5.312 1.00 0.00 H new ATOM 0 HE1 TRP A 546 -18.616 -5.463 -4.210 1.00 0.00 H new ATOM 0 HE3 TRP A 546 -13.935 -2.991 -3.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 -18.885 -3.115 -2.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 -15.106 -1.233 -1.993 1.00 0.00 H new ATOM 0 HH2 TRP A 546 -17.548 -1.299 -1.706 1.00 0.00 H new ATOM 568 N GLN A 547 -11.661 -3.748 -6.477 1.00 0.00 N ATOM 569 CA GLN A 547 -10.235 -3.554 -6.638 1.00 0.00 C ATOM 570 C GLN A 547 -9.664 -2.680 -5.535 1.00 0.00 C ATOM 571 O GLN A 547 -10.369 -1.894 -4.904 1.00 0.00 O ATOM 572 CB GLN A 547 -9.939 -2.933 -8.006 1.00 0.00 C ATOM 573 CG GLN A 547 -10.610 -1.586 -8.219 1.00 0.00 C ATOM 574 CD GLN A 547 -10.335 -1.000 -9.589 1.00 0.00 C ATOM 575 OE1 GLN A 547 -11.076 -1.239 -10.541 1.00 0.00 O ATOM 576 NE2 GLN A 547 -9.265 -0.229 -9.699 1.00 0.00 N ATOM 0 H GLN A 547 -12.202 -2.886 -6.400 1.00 0.00 H new ATOM 0 HA GLN A 547 -9.756 -4.531 -6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 547 -8.861 -2.814 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 547 -10.266 -3.620 -8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -11.686 -1.697 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -10.265 -0.889 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -8.676 -0.055 -8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -9.030 0.192 -10.598 1.00 0.00 H new ATOM 585 N GLY A 548 -8.375 -2.825 -5.333 1.00 0.00 N ATOM 586 CA GLY A 548 -7.674 -2.056 -4.338 1.00 0.00 C ATOM 587 C GLY A 548 -6.239 -1.861 -4.737 1.00 0.00 C ATOM 588 O GLY A 548 -5.672 -2.701 -5.438 1.00 0.00 O ATOM 0 H GLY A 548 -7.787 -3.477 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -8.157 -1.087 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -7.724 -2.565 -3.375 1.00 0.00 H new ATOM 592 N GLU A 549 -5.643 -0.770 -4.306 1.00 0.00 N ATOM 593 CA GLU A 549 -4.273 -0.485 -4.672 1.00 0.00 C ATOM 594 C GLU A 549 -3.513 0.117 -3.512 1.00 0.00 C ATOM 595 O GLU A 549 -4.068 0.816 -2.661 1.00 0.00 O ATOM 596 CB GLU A 549 -4.200 0.440 -5.881 1.00 0.00 C ATOM 597 CG GLU A 549 -4.655 1.852 -5.589 1.00 0.00 C ATOM 598 CD GLU A 549 -4.720 2.703 -6.836 1.00 0.00 C ATOM 599 OE1 GLU A 549 -4.772 2.130 -7.945 1.00 0.00 O ATOM 600 OE2 GLU A 549 -4.698 3.945 -6.720 1.00 0.00 O ATOM 0 H GLU A 549 -6.082 -0.071 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 549 -3.807 -1.434 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 549 -3.174 0.466 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 549 -4.814 0.027 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 549 -5.638 1.825 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 549 -3.972 2.311 -4.874 1.00 0.00 H new ATOM 607 N THR A 550 -2.243 -0.169 -3.508 1.00 0.00 N ATOM 608 CA THR A 550 -1.372 0.261 -2.442 1.00 0.00 C ATOM 609 C THR A 550 -0.477 1.400 -2.902 1.00 0.00 C ATOM 610 O THR A 550 0.162 1.321 -3.948 1.00 0.00 O ATOM 611 CB THR A 550 -0.516 -0.900 -1.941 1.00 0.00 C ATOM 612 OG1 THR A 550 -1.348 -1.908 -1.354 1.00 0.00 O ATOM 613 CG2 THR A 550 0.498 -0.412 -0.934 1.00 0.00 C ATOM 0 H THR A 550 -1.778 -0.706 -4.240 1.00 0.00 H new ATOM 0 HA THR A 550 -1.998 0.616 -1.623 1.00 0.00 H new ATOM 0 HB THR A 550 0.016 -1.331 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 550 -1.448 -2.655 -1.980 1.00 0.00 H new ATOM 0 HG21 THR A 550 1.100 -1.252 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 550 1.146 0.330 -1.400 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.019 0.039 -0.087 1.00 0.00 H new ATOM 621 N TRP A 551 -0.495 2.483 -2.153 1.00 0.00 N ATOM 622 CA TRP A 551 0.322 3.630 -2.475 1.00 0.00 C ATOM 623 C TRP A 551 1.471 3.763 -1.485 1.00 0.00 C ATOM 624 O TRP A 551 1.355 3.425 -0.305 1.00 0.00 O ATOM 625 CB TRP A 551 -0.498 4.916 -2.471 1.00 0.00 C ATOM 626 CG TRP A 551 -1.177 5.180 -3.770 1.00 0.00 C ATOM 627 CD1 TRP A 551 -2.201 4.470 -4.308 1.00 0.00 C ATOM 628 CD2 TRP A 551 -0.875 6.225 -4.698 1.00 0.00 C ATOM 629 NE1 TRP A 551 -2.565 5.010 -5.515 1.00 0.00 N ATOM 630 CE2 TRP A 551 -1.766 6.090 -5.778 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.059 7.265 -4.720 1.00 0.00 C ATOM 632 CZ2 TRP A 551 -1.750 6.953 -6.868 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.074 8.122 -5.804 1.00 0.00 C ATOM 634 CH2 TRP A 551 -0.827 7.961 -6.864 1.00 0.00 C ATOM 0 H TRP A 551 -1.068 2.591 -1.316 1.00 0.00 H new ATOM 0 HA TRP A 551 0.721 3.474 -3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 551 -1.247 4.860 -1.681 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.155 5.755 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 551 -2.662 3.606 -3.852 1.00 0.00 H new ATOM 0 HE1 TRP A 551 -3.310 4.663 -6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 551 0.756 7.396 -3.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 -2.442 6.831 -7.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 0.792 8.928 -5.834 1.00 0.00 H new ATOM 0 HH2 TRP A 551 -0.792 8.648 -7.696 1.00 0.00 H new ATOM 645 N TYR A 552 2.565 4.266 -2.006 1.00 0.00 N ATOM 646 CA TYR A 552 3.755 4.533 -1.209 1.00 0.00 C ATOM 647 C TYR A 552 4.265 5.933 -1.484 1.00 0.00 C ATOM 648 O TYR A 552 4.037 6.489 -2.558 1.00 0.00 O ATOM 649 CB TYR A 552 4.866 3.520 -1.513 1.00 0.00 C ATOM 650 CG TYR A 552 4.847 2.258 -0.668 1.00 0.00 C ATOM 651 CD1 TYR A 552 4.052 1.172 -1.007 1.00 0.00 C ATOM 652 CD2 TYR A 552 5.667 2.141 0.448 1.00 0.00 C ATOM 653 CE1 TYR A 552 4.074 0.011 -0.264 1.00 0.00 C ATOM 654 CE2 TYR A 552 5.685 0.983 1.202 1.00 0.00 C ATOM 655 CZ TYR A 552 4.889 -0.079 0.840 1.00 0.00 C ATOM 656 OH TYR A 552 4.914 -1.242 1.575 1.00 0.00 O ATOM 0 H TYR A 552 2.663 4.504 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 552 3.478 4.442 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 552 4.797 3.235 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 552 5.829 4.012 -1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 552 3.404 1.238 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 552 6.301 2.969 0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 552 3.453 -0.826 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 552 6.321 0.912 2.072 1.00 0.00 H new ATOM 0 HH TYR A 552 5.541 -1.144 2.321 1.00 0.00 H new ATOM 666 N TYR A 553 4.949 6.513 -0.517 1.00 0.00 N ATOM 667 CA TYR A 553 5.492 7.848 -0.672 1.00 0.00 C ATOM 668 C TYR A 553 6.924 7.895 -0.161 1.00 0.00 C ATOM 669 O TYR A 553 7.210 7.439 0.949 1.00 0.00 O ATOM 670 CB TYR A 553 4.623 8.857 0.093 1.00 0.00 C ATOM 671 CG TYR A 553 3.149 8.791 -0.261 1.00 0.00 C ATOM 672 CD1 TYR A 553 2.301 7.896 0.380 1.00 0.00 C ATOM 673 CD2 TYR A 553 2.610 9.617 -1.239 1.00 0.00 C ATOM 674 CE1 TYR A 553 0.960 7.826 0.057 1.00 0.00 C ATOM 675 CE2 TYR A 553 1.269 9.554 -1.566 1.00 0.00 C ATOM 676 CZ TYR A 553 0.448 8.657 -0.916 1.00 0.00 C ATOM 677 OH TYR A 553 -0.891 8.596 -1.236 1.00 0.00 O ATOM 0 H TYR A 553 5.142 6.080 0.386 1.00 0.00 H new ATOM 0 HA TYR A 553 5.491 8.110 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 553 4.738 8.683 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 553 4.990 9.864 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 553 2.697 7.244 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 553 3.249 10.320 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.316 7.123 0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 553 0.866 10.205 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 553 -1.089 9.248 -1.940 1.00 0.00 H new ATOM 687 N GLY A 554 7.820 8.421 -0.983 1.00 0.00 N ATOM 688 CA GLY A 554 9.199 8.575 -0.573 1.00 0.00 C ATOM 689 C GLY A 554 9.352 9.678 0.453 1.00 0.00 C ATOM 690 O GLY A 554 8.876 10.791 0.235 1.00 0.00 O ATOM 0 H GLY A 554 7.615 8.744 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 554 9.563 7.636 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 554 9.816 8.798 -1.443 1.00 0.00 H new ATOM 694 N PRO A 555 10.032 9.406 1.574 1.00 0.00 N ATOM 695 CA PRO A 555 10.140 10.360 2.687 1.00 0.00 C ATOM 696 C PRO A 555 10.963 11.593 2.328 1.00 0.00 C ATOM 697 O PRO A 555 10.892 12.622 3.000 1.00 0.00 O ATOM 698 CB PRO A 555 10.849 9.554 3.778 1.00 0.00 C ATOM 699 CG PRO A 555 11.590 8.485 3.052 1.00 0.00 C ATOM 700 CD PRO A 555 10.761 8.152 1.846 1.00 0.00 C ATOM 0 HA PRO A 555 9.164 10.746 2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 555 11.528 10.183 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 555 10.133 9.129 4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 555 12.583 8.828 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 555 11.729 7.608 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 555 11.382 7.857 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 555 10.079 7.325 2.044 1.00 0.00 H new ATOM 708 N CYS A 556 11.737 11.480 1.263 1.00 0.00 N ATOM 709 CA CYS A 556 12.645 12.539 0.862 1.00 0.00 C ATOM 710 C CYS A 556 12.460 12.905 -0.607 1.00 0.00 C ATOM 711 O CYS A 556 13.210 13.720 -1.146 1.00 0.00 O ATOM 712 CB CYS A 556 14.090 12.103 1.114 1.00 0.00 C ATOM 713 SG CYS A 556 14.429 11.638 2.828 1.00 0.00 S ATOM 0 H CYS A 556 11.754 10.660 0.657 1.00 0.00 H new ATOM 0 HA CYS A 556 12.420 13.423 1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 556 14.322 11.258 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 556 14.759 12.915 0.830 1.00 0.00 H new ATOM 0 HG CYS A 556 15.674 11.283 2.943 1.00 0.00 H new ATOM 719 N GLY A 557 11.460 12.318 -1.259 1.00 0.00 N ATOM 720 CA GLY A 557 11.372 12.440 -2.699 1.00 0.00 C ATOM 721 C GLY A 557 9.965 12.249 -3.235 1.00 0.00 C ATOM 722 O GLY A 557 8.988 12.684 -2.622 1.00 0.00 O ATOM 0 H GLY A 557 10.720 11.768 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 557 11.735 13.424 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 557 12.031 11.704 -3.160 1.00 0.00 H new ATOM 726 N LYS A 558 9.887 11.591 -4.383 1.00 0.00 N ATOM 727 CA LYS A 558 8.624 11.389 -5.097 1.00 0.00 C ATOM 728 C LYS A 558 7.747 10.340 -4.412 1.00 0.00 C ATOM 729 O LYS A 558 8.101 9.804 -3.361 1.00 0.00 O ATOM 730 CB LYS A 558 8.893 10.964 -6.545 1.00 0.00 C ATOM 731 CG LYS A 558 9.677 9.664 -6.673 1.00 0.00 C ATOM 732 CD LYS A 558 11.092 9.902 -7.178 1.00 0.00 C ATOM 733 CE LYS A 558 11.091 10.377 -8.620 1.00 0.00 C ATOM 734 NZ LYS A 558 12.468 10.527 -9.160 1.00 0.00 N ATOM 0 H LYS A 558 10.695 11.180 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 558 8.090 12.339 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 558 7.941 10.855 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 558 9.442 11.759 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 558 9.716 9.167 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 558 9.156 8.992 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 558 11.585 10.643 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 558 11.669 8.981 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 558 10.536 9.668 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 558 10.570 11.332 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 12.420 10.853 -10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 12.990 11.223 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 12.958 9.610 -9.122 1.00 0.00 H new ATOM 748 N ARG A 559 6.604 10.046 -5.022 1.00 0.00 N ATOM 749 CA ARG A 559 5.724 9.002 -4.526 1.00 0.00 C ATOM 750 C ARG A 559 5.522 7.929 -5.588 1.00 0.00 C ATOM 751 O ARG A 559 5.414 8.225 -6.780 1.00 0.00 O ATOM 752 CB ARG A 559 4.373 9.571 -4.066 1.00 0.00 C ATOM 753 CG ARG A 559 3.371 9.884 -5.175 1.00 0.00 C ATOM 754 CD ARG A 559 3.717 11.150 -5.945 1.00 0.00 C ATOM 755 NE ARG A 559 4.690 10.909 -7.009 1.00 0.00 N ATOM 756 CZ ARG A 559 5.421 11.863 -7.582 1.00 0.00 C ATOM 757 NH1 ARG A 559 5.311 13.122 -7.177 1.00 0.00 N ATOM 758 NH2 ARG A 559 6.267 11.553 -8.554 1.00 0.00 N ATOM 0 H ARG A 559 6.268 10.518 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 559 6.202 8.550 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 559 3.915 8.859 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 559 4.558 10.485 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 559 3.329 9.043 -5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 559 2.377 9.989 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 559 2.808 11.569 -6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 559 4.115 11.894 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 559 4.817 9.950 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 559 4.665 13.361 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 559 5.872 13.850 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 559 6.357 10.585 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 559 6.828 12.283 -8.994 1.00 0.00 H new ATOM 772 N MET A 560 5.500 6.687 -5.143 1.00 0.00 N ATOM 773 CA MET A 560 5.375 5.561 -6.047 1.00 0.00 C ATOM 774 C MET A 560 4.247 4.642 -5.610 1.00 0.00 C ATOM 775 O MET A 560 3.961 4.514 -4.427 1.00 0.00 O ATOM 776 CB MET A 560 6.685 4.767 -6.122 1.00 0.00 C ATOM 777 CG MET A 560 7.894 5.580 -6.575 1.00 0.00 C ATOM 778 SD MET A 560 8.524 6.701 -5.307 1.00 0.00 S ATOM 779 CE MET A 560 8.824 5.555 -3.967 1.00 0.00 C ATOM 0 H MET A 560 5.567 6.432 -4.158 1.00 0.00 H new ATOM 0 HA MET A 560 5.148 5.958 -7.037 1.00 0.00 H new ATOM 0 HB2 MET A 560 6.895 4.344 -5.140 1.00 0.00 H new ATOM 0 HB3 MET A 560 6.549 3.930 -6.807 1.00 0.00 H new ATOM 0 HG2 MET A 560 8.690 4.897 -6.873 1.00 0.00 H new ATOM 0 HG3 MET A 560 7.623 6.159 -7.458 1.00 0.00 H new ATOM 0 HE1 MET A 560 9.627 5.935 -3.336 1.00 0.00 H new ATOM 0 HE2 MET A 560 7.917 5.445 -3.373 1.00 0.00 H new ATOM 0 HE3 MET A 560 9.111 4.586 -4.375 1.00 0.00 H new ATOM 789 N LYS A 561 3.615 3.997 -6.569 1.00 0.00 N ATOM 790 CA LYS A 561 2.601 3.008 -6.268 1.00 0.00 C ATOM 791 C LYS A 561 2.775 1.800 -7.181 1.00 0.00 C ATOM 792 O LYS A 561 1.943 0.893 -7.218 1.00 0.00 O ATOM 793 CB LYS A 561 1.195 3.599 -6.376 1.00 0.00 C ATOM 794 CG LYS A 561 0.786 4.060 -7.770 1.00 0.00 C ATOM 795 CD LYS A 561 0.008 2.989 -8.522 1.00 0.00 C ATOM 796 CE LYS A 561 -1.346 2.723 -7.880 1.00 0.00 C ATOM 797 NZ LYS A 561 -2.161 1.758 -8.667 1.00 0.00 N ATOM 0 H LYS A 561 3.786 4.140 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 561 2.725 2.682 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 561 0.478 2.853 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 561 1.122 4.447 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 561 0.177 4.960 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 561 1.677 4.327 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.135 3.301 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 561 0.588 2.066 -8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -1.198 2.334 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -1.891 3.662 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -3.151 2.076 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -1.794 1.705 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -2.109 0.818 -8.225 1.00 0.00 H new ATOM 811 N GLN A 562 3.887 1.800 -7.902 1.00 0.00 N ATOM 812 CA GLN A 562 4.242 0.692 -8.765 1.00 0.00 C ATOM 813 C GLN A 562 5.569 0.107 -8.321 1.00 0.00 C ATOM 814 O GLN A 562 6.458 0.833 -7.872 1.00 0.00 O ATOM 815 CB GLN A 562 4.347 1.144 -10.223 1.00 0.00 C ATOM 816 CG GLN A 562 3.123 1.881 -10.740 1.00 0.00 C ATOM 817 CD GLN A 562 2.019 0.972 -11.263 1.00 0.00 C ATOM 818 OE1 GLN A 562 1.253 1.366 -12.143 1.00 0.00 O ATOM 819 NE2 GLN A 562 1.928 -0.245 -10.752 1.00 0.00 N ATOM 0 H GLN A 562 4.562 2.565 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 562 3.460 -0.064 -8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 562 5.218 1.791 -10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 562 4.522 0.270 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 562 2.719 2.499 -9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 562 3.430 2.556 -11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 562 2.577 -0.542 -10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 562 1.208 -0.886 -11.086 1.00 0.00 H new ATOM 828 N PHE A 563 5.696 -1.200 -8.461 1.00 0.00 N ATOM 829 CA PHE A 563 6.917 -1.906 -8.095 1.00 0.00 C ATOM 830 C PHE A 563 8.141 -1.365 -8.848 1.00 0.00 C ATOM 831 O PHE A 563 9.152 -1.043 -8.220 1.00 0.00 O ATOM 832 CB PHE A 563 6.752 -3.405 -8.350 1.00 0.00 C ATOM 833 CG PHE A 563 7.902 -4.235 -7.853 1.00 0.00 C ATOM 834 CD1 PHE A 563 8.399 -4.060 -6.571 1.00 0.00 C ATOM 835 CD2 PHE A 563 8.472 -5.203 -8.662 1.00 0.00 C ATOM 836 CE1 PHE A 563 9.442 -4.836 -6.106 1.00 0.00 C ATOM 837 CE2 PHE A 563 9.519 -5.977 -8.203 1.00 0.00 C ATOM 838 CZ PHE A 563 10.004 -5.795 -6.924 1.00 0.00 C ATOM 0 H PHE A 563 4.961 -1.803 -8.830 1.00 0.00 H new ATOM 0 HA PHE A 563 7.091 -1.738 -7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 563 5.835 -3.747 -7.870 1.00 0.00 H new ATOM 0 HB3 PHE A 563 6.632 -3.571 -9.421 1.00 0.00 H new ATOM 0 HD1 PHE A 563 7.965 -3.308 -5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 563 8.094 -5.354 -9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 563 9.818 -4.693 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 563 9.959 -6.726 -8.845 1.00 0.00 H new ATOM 0 HZ PHE A 563 10.822 -6.402 -6.564 1.00 0.00 H new ATOM 848 N PRO A 564 8.076 -1.223 -10.194 1.00 0.00 N ATOM 849 CA PRO A 564 9.220 -0.750 -10.983 1.00 0.00 C ATOM 850 C PRO A 564 9.579 0.699 -10.672 1.00 0.00 C ATOM 851 O PRO A 564 10.661 1.165 -11.014 1.00 0.00 O ATOM 852 CB PRO A 564 8.749 -0.886 -12.431 1.00 0.00 C ATOM 853 CG PRO A 564 7.266 -0.836 -12.348 1.00 0.00 C ATOM 854 CD PRO A 564 6.907 -1.501 -11.055 1.00 0.00 C ATOM 0 HA PRO A 564 10.122 -1.321 -10.765 1.00 0.00 H new ATOM 0 HB2 PRO A 564 9.139 -0.080 -13.052 1.00 0.00 H new ATOM 0 HB3 PRO A 564 9.090 -1.822 -12.873 1.00 0.00 H new ATOM 0 HG2 PRO A 564 6.908 0.193 -12.371 1.00 0.00 H new ATOM 0 HG3 PRO A 564 6.809 -1.352 -13.193 1.00 0.00 H new ATOM 0 HD2 PRO A 564 5.990 -1.091 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 564 6.748 -2.572 -11.184 1.00 0.00 H new ATOM 862 N GLU A 565 8.680 1.396 -9.986 1.00 0.00 N ATOM 863 CA GLU A 565 8.918 2.769 -9.561 1.00 0.00 C ATOM 864 C GLU A 565 9.675 2.796 -8.240 1.00 0.00 C ATOM 865 O GLU A 565 10.388 3.749 -7.931 1.00 0.00 O ATOM 866 CB GLU A 565 7.592 3.520 -9.437 1.00 0.00 C ATOM 867 CG GLU A 565 6.891 3.749 -10.768 1.00 0.00 C ATOM 868 CD GLU A 565 7.620 4.739 -11.653 1.00 0.00 C ATOM 869 OE1 GLU A 565 7.625 5.943 -11.324 1.00 0.00 O ATOM 870 OE2 GLU A 565 8.180 4.326 -12.687 1.00 0.00 O ATOM 0 H GLU A 565 7.770 1.027 -9.710 1.00 0.00 H new ATOM 0 HA GLU A 565 9.530 3.266 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 565 6.928 2.960 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 565 7.774 4.484 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 565 6.799 2.798 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 565 5.879 4.110 -10.583 1.00 0.00 H new ATOM 877 N VAL A 566 9.506 1.749 -7.458 1.00 0.00 N ATOM 878 CA VAL A 566 10.198 1.648 -6.185 1.00 0.00 C ATOM 879 C VAL A 566 11.651 1.213 -6.394 1.00 0.00 C ATOM 880 O VAL A 566 12.570 1.807 -5.829 1.00 0.00 O ATOM 881 CB VAL A 566 9.466 0.701 -5.207 1.00 0.00 C ATOM 882 CG1 VAL A 566 10.340 0.379 -4.004 1.00 0.00 C ATOM 883 CG2 VAL A 566 8.148 1.329 -4.753 1.00 0.00 C ATOM 0 H VAL A 566 8.899 0.959 -7.678 1.00 0.00 H new ATOM 0 HA VAL A 566 10.199 2.638 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 566 9.252 -0.231 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 566 9.802 -0.289 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 566 11.257 -0.106 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 566 10.589 1.301 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 566 7.641 0.653 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 566 8.350 2.275 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 566 7.512 1.507 -5.620 1.00 0.00 H new ATOM 893 N ILE A 567 11.855 0.194 -7.230 1.00 0.00 N ATOM 894 CA ILE A 567 13.206 -0.322 -7.512 1.00 0.00 C ATOM 895 C ILE A 567 14.105 0.768 -8.089 1.00 0.00 C ATOM 896 O ILE A 567 15.309 0.808 -7.822 1.00 0.00 O ATOM 897 CB ILE A 567 13.187 -1.508 -8.498 1.00 0.00 C ATOM 898 CG1 ILE A 567 12.001 -2.418 -8.213 1.00 0.00 C ATOM 899 CG2 ILE A 567 14.485 -2.300 -8.397 1.00 0.00 C ATOM 900 CD1 ILE A 567 11.952 -2.913 -6.787 1.00 0.00 C ATOM 0 H ILE A 567 11.108 -0.293 -7.725 1.00 0.00 H new ATOM 0 HA ILE A 567 13.600 -0.664 -6.555 1.00 0.00 H new ATOM 0 HB ILE A 567 13.091 -1.113 -9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 567 11.079 -1.881 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 567 12.040 -3.275 -8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 567 14.458 -3.134 -9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 567 15.327 -1.651 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 567 14.600 -2.682 -7.383 1.00 0.00 H new ATOM 0 HD11 ILE A 567 11.082 -3.556 -6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 567 12.858 -3.478 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 567 11.881 -2.063 -6.109 1.00 0.00 H new ATOM 912 N LYS A 568 13.507 1.673 -8.845 1.00 0.00 N ATOM 913 CA LYS A 568 14.273 2.767 -9.419 1.00 0.00 C ATOM 914 C LYS A 568 14.623 3.790 -8.353 1.00 0.00 C ATOM 915 O LYS A 568 15.719 4.334 -8.351 1.00 0.00 O ATOM 916 CB LYS A 568 13.553 3.419 -10.601 1.00 0.00 C ATOM 917 CG LYS A 568 12.164 3.915 -10.276 1.00 0.00 C ATOM 918 CD LYS A 568 11.503 4.568 -11.480 1.00 0.00 C ATOM 919 CE LYS A 568 11.371 3.599 -12.643 1.00 0.00 C ATOM 920 NZ LYS A 568 10.610 4.186 -13.772 1.00 0.00 N ATOM 0 H LYS A 568 12.513 1.674 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 568 15.200 2.347 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 568 14.152 4.256 -10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 568 13.489 2.699 -11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 568 11.551 3.082 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 568 12.216 4.632 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 568 10.516 4.935 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.088 5.433 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 568 12.364 3.308 -12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.873 2.691 -12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.873 3.704 -14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 9.591 4.067 -13.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 10.832 5.199 -13.851 1.00 0.00 H new ATOM 934 N TYR A 569 13.703 4.022 -7.423 1.00 0.00 N ATOM 935 CA TYR A 569 13.910 4.993 -6.363 1.00 0.00 C ATOM 936 C TYR A 569 15.091 4.569 -5.504 1.00 0.00 C ATOM 937 O TYR A 569 15.931 5.387 -5.131 1.00 0.00 O ATOM 938 CB TYR A 569 12.649 5.108 -5.502 1.00 0.00 C ATOM 939 CG TYR A 569 12.699 6.219 -4.477 1.00 0.00 C ATOM 940 CD1 TYR A 569 13.270 6.019 -3.225 1.00 0.00 C ATOM 941 CD2 TYR A 569 12.170 7.468 -4.764 1.00 0.00 C ATOM 942 CE1 TYR A 569 13.310 7.038 -2.289 1.00 0.00 C ATOM 943 CE2 TYR A 569 12.204 8.491 -3.838 1.00 0.00 C ATOM 944 CZ TYR A 569 12.775 8.273 -2.601 1.00 0.00 C ATOM 945 OH TYR A 569 12.803 9.291 -1.674 1.00 0.00 O ATOM 0 H TYR A 569 12.802 3.546 -7.385 1.00 0.00 H new ATOM 0 HA TYR A 569 14.121 5.966 -6.806 1.00 0.00 H new ATOM 0 HB2 TYR A 569 11.790 5.269 -6.154 1.00 0.00 H new ATOM 0 HB3 TYR A 569 12.486 4.161 -4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 569 13.689 5.054 -2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 569 11.723 7.644 -5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 569 13.757 6.869 -1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 569 11.786 9.457 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 569 13.587 9.185 -1.095 1.00 0.00 H new ATOM 955 N LEU A 570 15.153 3.276 -5.221 1.00 0.00 N ATOM 956 CA LEU A 570 16.210 2.710 -4.395 1.00 0.00 C ATOM 957 C LEU A 570 17.543 2.784 -5.127 1.00 0.00 C ATOM 958 O LEU A 570 18.602 2.905 -4.517 1.00 0.00 O ATOM 959 CB LEU A 570 15.885 1.254 -4.055 1.00 0.00 C ATOM 960 CG LEU A 570 14.461 1.000 -3.554 1.00 0.00 C ATOM 961 CD1 LEU A 570 14.276 -0.460 -3.183 1.00 0.00 C ATOM 962 CD2 LEU A 570 14.135 1.899 -2.373 1.00 0.00 C ATOM 0 H LEU A 570 14.475 2.592 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 570 16.280 3.285 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 570 16.054 0.645 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 570 16.586 0.911 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 570 13.770 1.238 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 570 13.257 -0.619 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 570 14.458 -1.084 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 570 14.980 -0.727 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 570 13.118 1.700 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 570 14.834 1.700 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 570 14.219 2.943 -2.676 1.00 0.00 H new ATOM 974 N SER A 571 17.475 2.673 -6.443 1.00 0.00 N ATOM 975 CA SER A 571 18.652 2.769 -7.289 1.00 0.00 C ATOM 976 C SER A 571 19.139 4.217 -7.401 1.00 0.00 C ATOM 977 O SER A 571 20.334 4.497 -7.295 1.00 0.00 O ATOM 978 CB SER A 571 18.326 2.204 -8.670 1.00 0.00 C ATOM 979 OG SER A 571 17.859 0.867 -8.569 1.00 0.00 O ATOM 0 H SER A 571 16.606 2.514 -6.953 1.00 0.00 H new ATOM 0 HA SER A 571 19.457 2.188 -6.839 1.00 0.00 H new ATOM 0 HB2 SER A 571 17.569 2.823 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 571 19.214 2.237 -9.301 1.00 0.00 H new ATOM 0 HG SER A 571 16.883 0.854 -8.658 1.00 0.00 H new ATOM 985 N ARG A 572 18.199 5.131 -7.599 1.00 0.00 N ATOM 986 CA ARG A 572 18.514 6.540 -7.814 1.00 0.00 C ATOM 987 C ARG A 572 18.910 7.225 -6.512 1.00 0.00 C ATOM 988 O ARG A 572 19.737 8.137 -6.503 1.00 0.00 O ATOM 989 CB ARG A 572 17.309 7.250 -8.436 1.00 0.00 C ATOM 990 CG ARG A 572 16.890 6.651 -9.769 1.00 0.00 C ATOM 991 CD ARG A 572 15.551 7.189 -10.248 1.00 0.00 C ATOM 992 NE ARG A 572 15.619 8.599 -10.627 1.00 0.00 N ATOM 993 CZ ARG A 572 15.133 9.089 -11.768 1.00 0.00 C ATOM 994 NH1 ARG A 572 14.552 8.286 -12.655 1.00 0.00 N ATOM 995 NH2 ARG A 572 15.233 10.387 -12.024 1.00 0.00 N ATOM 0 H ARG A 572 17.201 4.920 -7.615 1.00 0.00 H new ATOM 0 HA ARG A 572 19.363 6.599 -8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 572 16.469 7.203 -7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 572 17.548 8.304 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 572 17.654 6.865 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 572 16.831 5.567 -9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 572 15.211 6.602 -11.102 1.00 0.00 H new ATOM 0 HD3 ARG A 572 14.809 7.063 -9.459 1.00 0.00 H new ATOM 0 HE ARG A 572 16.066 9.248 -9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 572 14.475 7.287 -12.465 1.00 0.00 H new ATOM 0 HH12 ARG A 572 14.183 8.669 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 572 15.681 11.007 -11.349 1.00 0.00 H new ATOM 0 HH22 ARG A 572 14.862 10.765 -12.896 1.00 0.00 H new ATOM 1009 N ASN A 573 18.325 6.775 -5.417 1.00 0.00 N ATOM 1010 CA ASN A 573 18.582 7.363 -4.111 1.00 0.00 C ATOM 1011 C ASN A 573 19.345 6.377 -3.243 1.00 0.00 C ATOM 1012 O ASN A 573 19.640 5.267 -3.678 1.00 0.00 O ATOM 1013 CB ASN A 573 17.263 7.748 -3.437 1.00 0.00 C ATOM 1014 CG ASN A 573 16.478 8.766 -4.239 1.00 0.00 C ATOM 1015 OD1 ASN A 573 16.625 9.975 -4.052 1.00 0.00 O ATOM 1016 ND2 ASN A 573 15.645 8.284 -5.151 1.00 0.00 N ATOM 0 H ASN A 573 17.664 5.999 -5.405 1.00 0.00 H new ATOM 0 HA ASN A 573 19.184 8.263 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 573 16.656 6.854 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 573 17.469 8.152 -2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 573 15.097 8.921 -5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 573 15.552 7.276 -5.275 1.00 0.00 H new ATOM 1023 N VAL A 574 19.673 6.774 -2.027 1.00 0.00 N ATOM 1024 CA VAL A 574 20.383 5.889 -1.117 1.00 0.00 C ATOM 1025 C VAL A 574 19.468 5.461 0.021 1.00 0.00 C ATOM 1026 O VAL A 574 19.001 6.291 0.800 1.00 0.00 O ATOM 1027 CB VAL A 574 21.642 6.567 -0.537 1.00 0.00 C ATOM 1028 CG1 VAL A 574 22.376 5.630 0.412 1.00 0.00 C ATOM 1029 CG2 VAL A 574 22.562 7.025 -1.657 1.00 0.00 C ATOM 0 H VAL A 574 19.462 7.697 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 574 20.696 5.013 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 574 21.327 7.442 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 574 23.259 6.131 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 574 21.716 5.355 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 574 22.679 4.731 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 574 23.445 7.501 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 574 22.866 6.165 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 574 22.036 7.738 -2.291 1.00 0.00 H new ATOM 1039 N VAL A 575 19.217 4.163 0.108 1.00 0.00 N ATOM 1040 CA VAL A 575 18.355 3.610 1.142 1.00 0.00 C ATOM 1041 C VAL A 575 18.931 2.286 1.632 1.00 0.00 C ATOM 1042 O VAL A 575 18.946 1.298 0.894 1.00 0.00 O ATOM 1043 CB VAL A 575 16.912 3.374 0.632 1.00 0.00 C ATOM 1044 CG1 VAL A 575 16.011 2.932 1.769 1.00 0.00 C ATOM 1045 CG2 VAL A 575 16.344 4.619 -0.030 1.00 0.00 C ATOM 0 H VAL A 575 19.602 3.468 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 575 18.312 4.335 1.955 1.00 0.00 H new ATOM 0 HB VAL A 575 16.954 2.583 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 575 15.001 2.771 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 575 16.391 2.004 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 575 15.992 3.703 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 575 15.330 4.417 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 575 16.326 5.437 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 575 16.968 4.897 -0.879 1.00 0.00 H new ATOM 1055 N HIS A 576 19.416 2.271 2.864 1.00 0.00 N ATOM 1056 CA HIS A 576 20.064 1.086 3.413 1.00 0.00 C ATOM 1057 C HIS A 576 19.239 0.448 4.530 1.00 0.00 C ATOM 1058 O HIS A 576 19.519 -0.671 4.956 1.00 0.00 O ATOM 1059 CB HIS A 576 21.475 1.427 3.915 1.00 0.00 C ATOM 1060 CG HIS A 576 21.543 2.634 4.804 1.00 0.00 C ATOM 1061 ND1 HIS A 576 22.045 3.828 4.347 1.00 0.00 N ATOM 1062 CD2 HIS A 576 21.172 2.777 6.099 1.00 0.00 C ATOM 1063 CE1 HIS A 576 21.967 4.666 5.366 1.00 0.00 C ATOM 1064 NE2 HIS A 576 21.444 4.075 6.447 1.00 0.00 N ATOM 0 H HIS A 576 19.374 3.064 3.504 1.00 0.00 H new ATOM 0 HA HIS A 576 20.142 0.356 2.607 1.00 0.00 H new ATOM 0 HB2 HIS A 576 21.871 0.569 4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 576 22.124 1.588 3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 576 20.745 2.016 6.735 1.00 0.00 H new ATOM 0 HE1 HIS A 576 22.285 5.697 5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 576 21.279 4.508 7.356 1.00 0.00 H new ATOM 1072 N SER A 577 18.223 1.153 5.002 1.00 0.00 N ATOM 1073 CA SER A 577 17.363 0.624 6.051 1.00 0.00 C ATOM 1074 C SER A 577 16.332 -0.339 5.469 1.00 0.00 C ATOM 1075 O SER A 577 16.095 -1.422 6.005 1.00 0.00 O ATOM 1076 CB SER A 577 16.658 1.777 6.766 1.00 0.00 C ATOM 1077 OG SER A 577 16.007 2.622 5.832 1.00 0.00 O ATOM 0 H SER A 577 17.974 2.088 4.678 1.00 0.00 H new ATOM 0 HA SER A 577 17.978 0.076 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 577 15.931 1.382 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 577 17.383 2.353 7.341 1.00 0.00 H new ATOM 0 HG SER A 577 15.560 3.353 6.308 1.00 0.00 H new ATOM 1083 N VAL A 578 15.738 0.067 4.362 1.00 0.00 N ATOM 1084 CA VAL A 578 14.701 -0.728 3.727 1.00 0.00 C ATOM 1085 C VAL A 578 15.041 -1.098 2.286 1.00 0.00 C ATOM 1086 O VAL A 578 15.635 -0.315 1.541 1.00 0.00 O ATOM 1087 CB VAL A 578 13.329 -0.022 3.799 1.00 0.00 C ATOM 1088 CG1 VAL A 578 12.762 -0.131 5.202 1.00 0.00 C ATOM 1089 CG2 VAL A 578 13.437 1.443 3.405 1.00 0.00 C ATOM 0 H VAL A 578 15.955 0.941 3.884 1.00 0.00 H new ATOM 0 HA VAL A 578 14.642 -1.659 4.290 1.00 0.00 H new ATOM 0 HB VAL A 578 12.662 -0.517 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 578 11.795 0.370 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 578 12.638 -1.182 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 578 13.445 0.341 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 578 12.454 1.910 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 578 14.123 1.952 4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 578 13.811 1.519 2.384 1.00 0.00 H new ATOM 1099 N ARG A 579 14.677 -2.320 1.917 1.00 0.00 N ATOM 1100 CA ARG A 579 14.904 -2.836 0.576 1.00 0.00 C ATOM 1101 C ARG A 579 13.556 -3.020 -0.106 1.00 0.00 C ATOM 1102 O ARG A 579 12.521 -2.865 0.538 1.00 0.00 O ATOM 1103 CB ARG A 579 15.646 -4.180 0.626 1.00 0.00 C ATOM 1104 CG ARG A 579 16.772 -4.238 1.650 1.00 0.00 C ATOM 1105 CD ARG A 579 17.825 -3.181 1.382 1.00 0.00 C ATOM 1106 NE ARG A 579 18.955 -3.275 2.305 1.00 0.00 N ATOM 1107 CZ ARG A 579 20.027 -2.488 2.243 1.00 0.00 C ATOM 1108 NH1 ARG A 579 20.101 -1.545 1.313 1.00 0.00 N ATOM 1109 NH2 ARG A 579 21.017 -2.640 3.114 1.00 0.00 N ATOM 0 H ARG A 579 14.215 -2.981 2.542 1.00 0.00 H new ATOM 0 HA ARG A 579 15.519 -2.130 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 579 14.928 -4.970 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 579 16.057 -4.391 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 579 16.362 -4.099 2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 579 17.233 -5.225 1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 579 18.186 -3.282 0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 579 17.373 -2.192 1.464 1.00 0.00 H new ATOM 0 HE ARG A 579 18.920 -3.984 3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 579 19.338 -1.424 0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 579 20.921 -0.941 1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 579 20.958 -3.361 3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 579 21.837 -2.036 3.064 1.00 0.00 H new ATOM 1123 N ARG A 580 13.558 -3.353 -1.393 1.00 0.00 N ATOM 1124 CA ARG A 580 12.320 -3.529 -2.151 1.00 0.00 C ATOM 1125 C ARG A 580 11.372 -4.529 -1.482 1.00 0.00 C ATOM 1126 O ARG A 580 10.157 -4.387 -1.583 1.00 0.00 O ATOM 1127 CB ARG A 580 12.602 -3.964 -3.594 1.00 0.00 C ATOM 1128 CG ARG A 580 13.277 -5.316 -3.721 1.00 0.00 C ATOM 1129 CD ARG A 580 14.787 -5.193 -3.758 1.00 0.00 C ATOM 1130 NE ARG A 580 15.442 -6.498 -3.753 1.00 0.00 N ATOM 1131 CZ ARG A 580 16.685 -6.705 -3.319 1.00 0.00 C ATOM 1132 NH1 ARG A 580 17.409 -5.694 -2.848 1.00 0.00 N ATOM 1133 NH2 ARG A 580 17.204 -7.924 -3.356 1.00 0.00 N ATOM 0 H ARG A 580 14.407 -3.507 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 580 11.829 -2.556 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 580 11.661 -3.988 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 580 13.230 -3.212 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 580 12.985 -5.948 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 580 12.931 -5.811 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 580 15.084 -4.642 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 580 15.125 -4.614 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 580 14.917 -7.299 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 580 17.014 -4.754 -2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 580 18.360 -5.858 -2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 580 16.652 -8.702 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 580 18.155 -8.084 -3.024 1.00 0.00 H new ATOM 1147 N GLU A 581 11.920 -5.539 -0.801 1.00 0.00 N ATOM 1148 CA GLU A 581 11.123 -6.537 -0.089 1.00 0.00 C ATOM 1149 C GLU A 581 10.256 -5.932 1.014 1.00 0.00 C ATOM 1150 O GLU A 581 9.212 -6.486 1.359 1.00 0.00 O ATOM 1151 CB GLU A 581 12.050 -7.603 0.499 1.00 0.00 C ATOM 1152 CG GLU A 581 13.042 -7.056 1.513 1.00 0.00 C ATOM 1153 CD GLU A 581 14.173 -8.020 1.797 1.00 0.00 C ATOM 1154 OE1 GLU A 581 15.154 -8.033 1.027 1.00 0.00 O ATOM 1155 OE2 GLU A 581 14.086 -8.774 2.784 1.00 0.00 O ATOM 0 H GLU A 581 12.927 -5.686 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 581 10.441 -6.983 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 581 11.446 -8.375 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 581 12.599 -8.082 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 581 13.454 -6.117 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 581 12.519 -6.831 2.443 1.00 0.00 H new ATOM 1162 N HIS A 582 10.681 -4.801 1.551 1.00 0.00 N ATOM 1163 CA HIS A 582 9.951 -4.137 2.624 1.00 0.00 C ATOM 1164 C HIS A 582 8.726 -3.413 2.076 1.00 0.00 C ATOM 1165 O HIS A 582 7.850 -2.983 2.824 1.00 0.00 O ATOM 1166 CB HIS A 582 10.860 -3.161 3.366 1.00 0.00 C ATOM 1167 CG HIS A 582 11.926 -3.831 4.181 1.00 0.00 C ATOM 1168 ND1 HIS A 582 13.249 -3.759 3.825 1.00 0.00 N ATOM 1169 CD2 HIS A 582 11.815 -4.560 5.319 1.00 0.00 C ATOM 1170 CE1 HIS A 582 13.910 -4.437 4.744 1.00 0.00 C ATOM 1171 NE2 HIS A 582 13.084 -4.944 5.671 1.00 0.00 N ATOM 0 H HIS A 582 11.532 -4.319 1.261 1.00 0.00 H new ATOM 0 HA HIS A 582 9.613 -4.898 3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 582 11.332 -2.496 2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 582 10.251 -2.538 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 582 10.902 -4.794 5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 582 14.982 -4.567 4.749 1.00 0.00 H new ATOM 0 HE2 HIS A 582 13.348 -5.506 6.480 1.00 0.00 H new ATOM 1179 N PHE A 583 8.676 -3.289 0.762 1.00 0.00 N ATOM 1180 CA PHE A 583 7.581 -2.602 0.100 1.00 0.00 C ATOM 1181 C PHE A 583 6.700 -3.618 -0.610 1.00 0.00 C ATOM 1182 O PHE A 583 7.190 -4.449 -1.378 1.00 0.00 O ATOM 1183 CB PHE A 583 8.111 -1.571 -0.900 1.00 0.00 C ATOM 1184 CG PHE A 583 9.155 -0.652 -0.327 1.00 0.00 C ATOM 1185 CD1 PHE A 583 8.848 0.220 0.700 1.00 0.00 C ATOM 1186 CD2 PHE A 583 10.443 -0.663 -0.822 1.00 0.00 C ATOM 1187 CE1 PHE A 583 9.809 1.061 1.222 1.00 0.00 C ATOM 1188 CE2 PHE A 583 11.410 0.174 -0.307 1.00 0.00 C ATOM 1189 CZ PHE A 583 11.092 1.038 0.719 1.00 0.00 C ATOM 0 H PHE A 583 9.386 -3.658 0.129 1.00 0.00 H new ATOM 0 HA PHE A 583 6.993 -2.074 0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 583 8.532 -2.094 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 583 7.277 -0.974 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 583 7.844 0.243 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 583 10.698 -1.338 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 583 9.556 1.738 2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 583 12.413 0.153 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 583 11.846 1.695 1.127 1.00 0.00 H new ATOM 1199 N SER A 584 5.407 -3.574 -0.349 1.00 0.00 N ATOM 1200 CA SER A 584 4.476 -4.500 -0.963 1.00 0.00 C ATOM 1201 C SER A 584 3.245 -3.732 -1.411 1.00 0.00 C ATOM 1202 O SER A 584 2.761 -2.862 -0.686 1.00 0.00 O ATOM 1203 CB SER A 584 4.087 -5.605 0.021 1.00 0.00 C ATOM 1204 OG SER A 584 3.509 -5.059 1.194 1.00 0.00 O ATOM 0 H SER A 584 4.977 -2.903 0.287 1.00 0.00 H new ATOM 0 HA SER A 584 4.948 -4.972 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 584 3.381 -6.287 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 584 4.968 -6.190 0.284 1.00 0.00 H new ATOM 0 HG SER A 584 2.665 -5.518 1.387 1.00 0.00 H new ATOM 1210 N PHE A 585 2.740 -4.035 -2.590 1.00 0.00 N ATOM 1211 CA PHE A 585 1.594 -3.311 -3.112 1.00 0.00 C ATOM 1212 C PHE A 585 0.330 -4.154 -3.068 1.00 0.00 C ATOM 1213 O PHE A 585 -0.751 -3.688 -3.432 1.00 0.00 O ATOM 1214 CB PHE A 585 1.866 -2.819 -4.526 1.00 0.00 C ATOM 1215 CG PHE A 585 2.825 -1.670 -4.566 1.00 0.00 C ATOM 1216 CD1 PHE A 585 2.441 -0.439 -4.080 1.00 0.00 C ATOM 1217 CD2 PHE A 585 4.100 -1.814 -5.088 1.00 0.00 C ATOM 1218 CE1 PHE A 585 3.299 0.634 -4.111 1.00 0.00 C ATOM 1219 CE2 PHE A 585 4.969 -0.739 -5.120 1.00 0.00 C ATOM 1220 CZ PHE A 585 4.563 0.488 -4.631 1.00 0.00 C ATOM 0 H PHE A 585 3.099 -4.769 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 585 1.432 -2.445 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 585 2.265 -3.640 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 585 0.926 -2.518 -4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 585 1.450 -0.316 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 585 4.417 -2.772 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 585 2.980 1.592 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 585 5.963 -0.858 -5.526 1.00 0.00 H new ATOM 0 HZ PHE A 585 5.238 1.331 -4.657 1.00 0.00 H new ATOM 1230 N SER A 586 0.470 -5.394 -2.633 1.00 0.00 N ATOM 1231 CA SER A 586 -0.676 -6.257 -2.414 1.00 0.00 C ATOM 1232 C SER A 586 -1.590 -5.674 -1.336 1.00 0.00 C ATOM 1233 O SER A 586 -1.181 -5.512 -0.180 1.00 0.00 O ATOM 1234 CB SER A 586 -0.196 -7.650 -2.012 1.00 0.00 C ATOM 1235 OG SER A 586 0.592 -8.224 -3.041 1.00 0.00 O ATOM 0 H SER A 586 1.370 -5.826 -2.424 1.00 0.00 H new ATOM 0 HA SER A 586 -1.249 -6.329 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 586 0.386 -7.588 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 586 -1.054 -8.290 -1.804 1.00 0.00 H new ATOM 0 HG SER A 586 0.892 -9.115 -2.765 1.00 0.00 H new ATOM 1241 N PRO A 587 -2.845 -5.349 -1.696 1.00 0.00 N ATOM 1242 CA PRO A 587 -3.814 -4.759 -0.766 1.00 0.00 C ATOM 1243 C PRO A 587 -4.382 -5.784 0.212 1.00 0.00 C ATOM 1244 O PRO A 587 -5.364 -5.521 0.900 1.00 0.00 O ATOM 1245 CB PRO A 587 -4.910 -4.246 -1.696 1.00 0.00 C ATOM 1246 CG PRO A 587 -4.883 -5.205 -2.829 1.00 0.00 C ATOM 1247 CD PRO A 587 -3.426 -5.515 -3.046 1.00 0.00 C ATOM 0 HA PRO A 587 -3.366 -3.990 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -5.882 -4.235 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -4.710 -3.227 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -5.447 -6.108 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -5.331 -4.772 -3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -3.281 -6.526 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -2.972 -4.835 -3.767 1.00 0.00 H new ATOM 1255 N ARG A 588 -3.751 -6.949 0.279 1.00 0.00 N ATOM 1256 CA ARG A 588 -4.122 -7.974 1.239 1.00 0.00 C ATOM 1257 C ARG A 588 -3.184 -7.898 2.430 1.00 0.00 C ATOM 1258 O ARG A 588 -3.293 -8.671 3.379 1.00 0.00 O ATOM 1259 CB ARG A 588 -4.044 -9.368 0.615 1.00 0.00 C ATOM 1260 CG ARG A 588 -4.775 -9.498 -0.710 1.00 0.00 C ATOM 1261 CD ARG A 588 -4.803 -10.941 -1.181 1.00 0.00 C ATOM 1262 NE ARG A 588 -3.487 -11.573 -1.089 1.00 0.00 N ATOM 1263 CZ ARG A 588 -2.853 -12.145 -2.111 1.00 0.00 C ATOM 1264 NH1 ARG A 588 -3.377 -12.122 -3.329 1.00 0.00 N ATOM 1265 NH2 ARG A 588 -1.679 -12.726 -1.913 1.00 0.00 N ATOM 0 H ARG A 588 -2.973 -7.207 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 588 -5.151 -7.801 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 588 -2.996 -9.629 0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 588 -4.457 -10.092 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 588 -5.795 -9.127 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 588 -4.286 -8.877 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 588 -5.518 -11.504 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 588 -5.152 -10.979 -2.213 1.00 0.00 H new ATOM 0 HE ARG A 588 -3.023 -11.576 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 588 -4.274 -11.663 -3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 588 -2.883 -12.563 -4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 588 -1.265 -12.734 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 588 -1.190 -13.165 -2.693 1.00 0.00 H new ATOM 1279 N MET A 589 -2.249 -6.964 2.353 1.00 0.00 N ATOM 1280 CA MET A 589 -1.295 -6.748 3.426 1.00 0.00 C ATOM 1281 C MET A 589 -1.791 -5.642 4.349 1.00 0.00 C ATOM 1282 O MET A 589 -1.722 -4.461 4.007 1.00 0.00 O ATOM 1283 CB MET A 589 0.080 -6.386 2.859 1.00 0.00 C ATOM 1284 CG MET A 589 1.176 -6.404 3.897 1.00 0.00 C ATOM 1285 SD MET A 589 1.412 -8.028 4.643 1.00 0.00 S ATOM 1286 CE MET A 589 2.036 -8.960 3.247 1.00 0.00 C ATOM 0 H MET A 589 -2.131 -6.341 1.554 1.00 0.00 H new ATOM 0 HA MET A 589 -1.199 -7.671 3.997 1.00 0.00 H new ATOM 0 HB2 MET A 589 0.332 -7.085 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 589 0.031 -5.394 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 589 2.110 -6.082 3.437 1.00 0.00 H new ATOM 0 HG3 MET A 589 0.941 -5.682 4.679 1.00 0.00 H new ATOM 0 HE1 MET A 589 2.492 -9.884 3.601 1.00 0.00 H new ATOM 0 HE2 MET A 589 1.214 -9.197 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 589 2.782 -8.367 2.718 1.00 0.00 H new ATOM 1296 N PRO A 590 -2.300 -6.012 5.527 1.00 0.00 N ATOM 1297 CA PRO A 590 -2.893 -5.066 6.470 1.00 0.00 C ATOM 1298 C PRO A 590 -1.849 -4.359 7.323 1.00 0.00 C ATOM 1299 O PRO A 590 -1.776 -4.567 8.533 1.00 0.00 O ATOM 1300 CB PRO A 590 -3.767 -5.965 7.337 1.00 0.00 C ATOM 1301 CG PRO A 590 -3.051 -7.273 7.361 1.00 0.00 C ATOM 1302 CD PRO A 590 -2.335 -7.394 6.042 1.00 0.00 C ATOM 0 HA PRO A 590 -3.432 -4.263 5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -3.882 -5.557 8.341 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -4.768 -6.068 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -2.345 -7.313 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -3.752 -8.096 7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -1.331 -7.798 6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -2.864 -8.061 5.361 1.00 0.00 H new ATOM 1310 N VAL A 591 -1.041 -3.521 6.697 1.00 0.00 N ATOM 1311 CA VAL A 591 0.053 -2.887 7.409 1.00 0.00 C ATOM 1312 C VAL A 591 -0.201 -1.420 7.736 1.00 0.00 C ATOM 1313 O VAL A 591 -0.360 -1.090 8.910 1.00 0.00 O ATOM 1314 CB VAL A 591 1.383 -3.073 6.666 1.00 0.00 C ATOM 1315 CG1 VAL A 591 2.493 -2.302 7.352 1.00 0.00 C ATOM 1316 CG2 VAL A 591 1.715 -4.547 6.627 1.00 0.00 C ATOM 0 H VAL A 591 -1.120 -3.267 5.712 1.00 0.00 H new ATOM 0 HA VAL A 591 0.121 -3.398 8.369 1.00 0.00 H new ATOM 0 HB VAL A 591 1.288 -2.688 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 591 3.427 -2.448 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 591 2.244 -1.241 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 591 2.608 -2.662 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 591 2.659 -4.694 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 591 1.804 -4.927 7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 591 0.922 -5.085 6.107 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.254 -0.525 6.748 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.352 0.883 7.066 1.00 0.00 C ATOM 1328 C GLY A 592 -1.779 1.365 7.117 1.00 0.00 C ATOM 1329 O GLY A 592 -2.529 1.017 8.028 1.00 0.00 O ATOM 0 H GLY A 592 -0.231 -0.749 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.126 1.069 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.196 1.460 6.321 1.00 0.00 H new ATOM 1333 N ASP A 593 -2.167 2.151 6.128 1.00 0.00 N ATOM 1334 CA ASP A 593 -3.483 2.741 6.115 1.00 0.00 C ATOM 1335 C ASP A 593 -4.344 2.138 5.019 1.00 0.00 C ATOM 1336 O ASP A 593 -3.887 1.881 3.913 1.00 0.00 O ATOM 1337 CB ASP A 593 -3.401 4.260 5.946 1.00 0.00 C ATOM 1338 CG ASP A 593 -2.860 4.960 7.177 1.00 0.00 C ATOM 1339 OD1 ASP A 593 -3.648 5.222 8.112 1.00 0.00 O ATOM 1340 OD2 ASP A 593 -1.647 5.259 7.218 1.00 0.00 O ATOM 0 H ASP A 593 -1.585 2.392 5.326 1.00 0.00 H new ATOM 0 HA ASP A 593 -3.949 2.523 7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.764 4.492 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.393 4.650 5.719 1.00 0.00 H new ATOM 1345 N PHE A 594 -5.585 1.907 5.375 1.00 0.00 N ATOM 1346 CA PHE A 594 -6.586 1.383 4.448 1.00 0.00 C ATOM 1347 C PHE A 594 -7.780 2.317 4.336 1.00 0.00 C ATOM 1348 O PHE A 594 -8.304 2.792 5.344 1.00 0.00 O ATOM 1349 CB PHE A 594 -7.049 -0.008 4.878 1.00 0.00 C ATOM 1350 CG PHE A 594 -6.165 -1.120 4.389 1.00 0.00 C ATOM 1351 CD1 PHE A 594 -4.894 -1.299 4.909 1.00 0.00 C ATOM 1352 CD2 PHE A 594 -6.611 -1.985 3.403 1.00 0.00 C ATOM 1353 CE1 PHE A 594 -4.085 -2.322 4.457 1.00 0.00 C ATOM 1354 CE2 PHE A 594 -5.806 -3.010 2.948 1.00 0.00 C ATOM 1355 CZ PHE A 594 -4.541 -3.178 3.475 1.00 0.00 C ATOM 0 H PHE A 594 -5.940 2.074 6.316 1.00 0.00 H new ATOM 0 HA PHE A 594 -6.116 1.310 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 594 -7.095 -0.045 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 594 -8.062 -0.173 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 594 -4.532 -0.631 5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 594 -7.599 -1.856 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 594 -3.096 -2.452 4.871 1.00 0.00 H new ATOM 0 HE2 PHE A 594 -6.165 -3.680 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 594 -3.909 -3.978 3.119 1.00 0.00 H new ATOM 1365 N PHE A 595 -8.192 2.596 3.104 1.00 0.00 N ATOM 1366 CA PHE A 595 -9.342 3.451 2.854 1.00 0.00 C ATOM 1367 C PHE A 595 -10.340 2.755 1.935 1.00 0.00 C ATOM 1368 O PHE A 595 -9.975 1.885 1.145 1.00 0.00 O ATOM 1369 CB PHE A 595 -8.891 4.771 2.216 1.00 0.00 C ATOM 1370 CG PHE A 595 -7.747 5.424 2.937 1.00 0.00 C ATOM 1371 CD1 PHE A 595 -6.439 5.099 2.616 1.00 0.00 C ATOM 1372 CD2 PHE A 595 -7.975 6.349 3.942 1.00 0.00 C ATOM 1373 CE1 PHE A 595 -5.384 5.682 3.280 1.00 0.00 C ATOM 1374 CE2 PHE A 595 -6.918 6.935 4.612 1.00 0.00 C ATOM 1375 CZ PHE A 595 -5.620 6.598 4.279 1.00 0.00 C ATOM 0 H PHE A 595 -7.743 2.239 2.261 1.00 0.00 H new ATOM 0 HA PHE A 595 -9.827 3.658 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 595 -8.600 4.585 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 595 -9.735 5.460 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 595 -6.245 4.379 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 595 -8.988 6.615 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 595 -4.370 5.420 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 595 -7.106 7.655 5.395 1.00 0.00 H new ATOM 0 HZ PHE A 595 -4.792 7.053 4.802 1.00 0.00 H new ATOM 1385 N GLU A 596 -11.588 3.166 2.042 1.00 0.00 N ATOM 1386 CA GLU A 596 -12.667 2.611 1.242 1.00 0.00 C ATOM 1387 C GLU A 596 -13.509 3.756 0.693 1.00 0.00 C ATOM 1388 O GLU A 596 -13.993 4.592 1.463 1.00 0.00 O ATOM 1389 CB GLU A 596 -13.526 1.693 2.121 1.00 0.00 C ATOM 1390 CG GLU A 596 -14.858 1.290 1.510 1.00 0.00 C ATOM 1391 CD GLU A 596 -14.737 0.211 0.456 1.00 0.00 C ATOM 1392 OE1 GLU A 596 -14.367 0.530 -0.686 1.00 0.00 O ATOM 1393 OE2 GLU A 596 -15.054 -0.960 0.771 1.00 0.00 O ATOM 0 H GLU A 596 -11.886 3.897 2.688 1.00 0.00 H new ATOM 0 HA GLU A 596 -12.265 2.030 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 596 -12.957 0.791 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 596 -13.714 2.194 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 596 -15.521 0.941 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 596 -15.326 2.169 1.067 1.00 0.00 H new ATOM 1400 N GLU A 597 -13.672 3.825 -0.620 1.00 0.00 N ATOM 1401 CA GLU A 597 -14.412 4.907 -1.249 1.00 0.00 C ATOM 1402 C GLU A 597 -15.903 4.719 -1.005 1.00 0.00 C ATOM 1403 O GLU A 597 -16.468 3.663 -1.296 1.00 0.00 O ATOM 1404 CB GLU A 597 -14.121 4.929 -2.751 1.00 0.00 C ATOM 1405 CG GLU A 597 -14.990 5.896 -3.535 1.00 0.00 C ATOM 1406 CD GLU A 597 -14.692 5.868 -5.018 1.00 0.00 C ATOM 1407 OE1 GLU A 597 -15.214 4.973 -5.716 1.00 0.00 O ATOM 1408 OE2 GLU A 597 -13.948 6.747 -5.498 1.00 0.00 O ATOM 0 H GLU A 597 -13.298 3.138 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 597 -14.100 5.857 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 597 -13.074 5.192 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 597 -14.260 3.925 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 597 -16.039 5.650 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 597 -14.838 6.906 -3.156 1.00 0.00 H new ATOM 1415 N ARG A 598 -16.530 5.738 -0.445 1.00 0.00 N ATOM 1416 CA ARG A 598 -17.920 5.649 -0.043 1.00 0.00 C ATOM 1417 C ARG A 598 -18.694 6.885 -0.483 1.00 0.00 C ATOM 1418 O ARG A 598 -18.108 7.948 -0.708 1.00 0.00 O ATOM 1419 CB ARG A 598 -17.968 5.498 1.480 1.00 0.00 C ATOM 1420 CG ARG A 598 -19.356 5.373 2.073 1.00 0.00 C ATOM 1421 CD ARG A 598 -19.290 5.240 3.583 1.00 0.00 C ATOM 1422 NE ARG A 598 -20.598 4.993 4.175 1.00 0.00 N ATOM 1423 CZ ARG A 598 -20.778 4.402 5.356 1.00 0.00 C ATOM 1424 NH1 ARG A 598 -19.734 3.953 6.048 1.00 0.00 N ATOM 1425 NH2 ARG A 598 -22.003 4.249 5.840 1.00 0.00 N ATOM 0 H ARG A 598 -16.094 6.641 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 598 -18.387 4.787 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 598 -17.390 4.617 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 598 -17.474 6.359 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 598 -19.950 6.247 1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 598 -19.860 4.504 1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 598 -18.616 4.424 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 598 -18.868 6.151 4.007 1.00 0.00 H new ATOM 0 HE ARG A 598 -21.424 5.290 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 598 -18.791 4.060 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 598 -19.877 3.501 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 598 -22.807 4.583 5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 598 -22.141 3.797 6.744 1.00 0.00 H new ATOM 1439 N ASP A 599 -20.007 6.744 -0.598 1.00 0.00 N ATOM 1440 CA ASP A 599 -20.877 7.863 -0.922 1.00 0.00 C ATOM 1441 C ASP A 599 -21.524 8.438 0.323 1.00 0.00 C ATOM 1442 O ASP A 599 -21.957 7.711 1.217 1.00 0.00 O ATOM 1443 CB ASP A 599 -21.962 7.433 -1.914 1.00 0.00 C ATOM 1444 CG ASP A 599 -22.939 6.431 -1.327 1.00 0.00 C ATOM 1445 OD1 ASP A 599 -22.532 5.280 -1.050 1.00 0.00 O ATOM 1446 OD2 ASP A 599 -24.124 6.783 -1.148 1.00 0.00 O ATOM 0 H ASP A 599 -20.495 5.858 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 599 -20.259 8.636 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 599 -22.510 8.314 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 599 -21.490 6.998 -2.795 1.00 0.00 H new ATOM 1451 N THR A 600 -21.555 9.752 0.378 1.00 0.00 N ATOM 1452 CA THR A 600 -22.171 10.472 1.476 1.00 0.00 C ATOM 1453 C THR A 600 -23.081 11.552 0.915 1.00 0.00 C ATOM 1454 O THR A 600 -22.991 11.883 -0.269 1.00 0.00 O ATOM 1455 CB THR A 600 -21.094 11.116 2.373 1.00 0.00 C ATOM 1456 OG1 THR A 600 -20.532 12.256 1.720 1.00 0.00 O ATOM 1457 CG2 THR A 600 -19.986 10.126 2.660 1.00 0.00 C ATOM 0 H THR A 600 -21.153 10.355 -0.339 1.00 0.00 H new ATOM 0 HA THR A 600 -22.751 9.773 2.079 1.00 0.00 H new ATOM 0 HB THR A 600 -21.565 11.418 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 600 -19.883 11.961 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 600 -19.234 10.595 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 600 -20.399 9.256 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 600 -19.526 9.813 1.723 1.00 0.00 H new ATOM 1465 N PRO A 601 -23.976 12.107 1.738 1.00 0.00 N ATOM 1466 CA PRO A 601 -24.858 13.200 1.324 1.00 0.00 C ATOM 1467 C PRO A 601 -24.087 14.464 0.929 1.00 0.00 C ATOM 1468 O PRO A 601 -24.659 15.394 0.360 1.00 0.00 O ATOM 1469 CB PRO A 601 -25.737 13.444 2.555 1.00 0.00 C ATOM 1470 CG PRO A 601 -24.983 12.856 3.695 1.00 0.00 C ATOM 1471 CD PRO A 601 -24.227 11.695 3.128 1.00 0.00 C ATOM 0 HA PRO A 601 -25.430 12.944 0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 601 -25.914 14.509 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 601 -26.713 12.971 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 601 -24.305 13.588 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 601 -25.659 12.533 4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 601 -23.298 11.516 3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 601 -24.807 10.774 3.177 1.00 0.00 H new ATOM 1479 N GLU A 602 -22.787 14.490 1.217 1.00 0.00 N ATOM 1480 CA GLU A 602 -21.949 15.607 0.809 1.00 0.00 C ATOM 1481 C GLU A 602 -21.131 15.230 -0.424 1.00 0.00 C ATOM 1482 O GLU A 602 -20.560 16.091 -1.094 1.00 0.00 O ATOM 1483 CB GLU A 602 -21.030 16.043 1.955 1.00 0.00 C ATOM 1484 CG GLU A 602 -19.812 15.161 2.154 1.00 0.00 C ATOM 1485 CD GLU A 602 -18.960 15.601 3.327 1.00 0.00 C ATOM 1486 OE1 GLU A 602 -18.411 16.722 3.290 1.00 0.00 O ATOM 1487 OE2 GLU A 602 -18.838 14.826 4.298 1.00 0.00 O ATOM 0 H GLU A 602 -22.298 13.755 1.727 1.00 0.00 H new ATOM 0 HA GLU A 602 -22.594 16.448 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 602 -20.697 17.064 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 602 -21.606 16.059 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 602 -20.135 14.132 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 602 -19.208 15.172 1.247 1.00 0.00 H new ATOM 1494 N GLY A 603 -21.077 13.936 -0.710 1.00 0.00 N ATOM 1495 CA GLY A 603 -20.362 13.485 -1.877 1.00 0.00 C ATOM 1496 C GLY A 603 -19.543 12.242 -1.647 1.00 0.00 C ATOM 1497 O GLY A 603 -19.659 11.579 -0.619 1.00 0.00 O ATOM 0 H GLY A 603 -21.514 13.199 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 603 -21.076 13.295 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 603 -19.704 14.284 -2.220 1.00 0.00 H new ATOM 1501 N LEU A 604 -18.722 11.928 -2.624 1.00 0.00 N ATOM 1502 CA LEU A 604 -17.829 10.792 -2.546 1.00 0.00 C ATOM 1503 C LEU A 604 -16.584 11.164 -1.775 1.00 0.00 C ATOM 1504 O LEU A 604 -15.878 12.115 -2.118 1.00 0.00 O ATOM 1505 CB LEU A 604 -17.457 10.303 -3.943 1.00 0.00 C ATOM 1506 CG LEU A 604 -18.595 9.637 -4.710 1.00 0.00 C ATOM 1507 CD1 LEU A 604 -18.246 9.517 -6.183 1.00 0.00 C ATOM 1508 CD2 LEU A 604 -18.902 8.266 -4.128 1.00 0.00 C ATOM 0 H LEU A 604 -18.654 12.453 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 604 -18.341 9.984 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 604 -17.092 11.150 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 604 -16.632 9.596 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 604 -19.483 10.261 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 604 -19.069 9.040 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 604 -18.074 10.510 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 604 -17.344 8.915 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 604 -19.716 7.807 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 604 -18.015 7.636 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 604 -19.195 8.371 -3.083 1.00 0.00 H new ATOM 1520 N GLN A 605 -16.339 10.424 -0.723 1.00 0.00 N ATOM 1521 CA GLN A 605 -15.184 10.663 0.120 1.00 0.00 C ATOM 1522 C GLN A 605 -14.562 9.329 0.489 1.00 0.00 C ATOM 1523 O GLN A 605 -15.256 8.310 0.547 1.00 0.00 O ATOM 1524 CB GLN A 605 -15.569 11.448 1.365 1.00 0.00 C ATOM 1525 CG GLN A 605 -16.425 10.666 2.339 1.00 0.00 C ATOM 1526 CD GLN A 605 -17.156 11.560 3.311 1.00 0.00 C ATOM 1527 OE1 GLN A 605 -17.339 11.211 4.478 1.00 0.00 O ATOM 1528 NE2 GLN A 605 -17.641 12.690 2.822 1.00 0.00 N ATOM 0 H GLN A 605 -16.926 9.645 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 605 -14.456 11.263 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 605 -14.661 11.773 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 605 -16.106 12.348 1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 605 -17.149 10.069 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 605 -15.796 9.970 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 605 -17.466 12.941 1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 605 -18.190 13.310 3.418 1.00 0.00 H new ATOM 1537 N TRP A 606 -13.262 9.318 0.707 1.00 0.00 N ATOM 1538 CA TRP A 606 -12.557 8.094 1.014 1.00 0.00 C ATOM 1539 C TRP A 606 -12.578 7.879 2.517 1.00 0.00 C ATOM 1540 O TRP A 606 -11.965 8.641 3.263 1.00 0.00 O ATOM 1541 CB TRP A 606 -11.115 8.169 0.511 1.00 0.00 C ATOM 1542 CG TRP A 606 -10.989 7.923 -0.959 1.00 0.00 C ATOM 1543 CD1 TRP A 606 -11.041 8.843 -1.966 1.00 0.00 C ATOM 1544 CD2 TRP A 606 -10.793 6.657 -1.580 1.00 0.00 C ATOM 1545 NE1 TRP A 606 -10.889 8.216 -3.181 1.00 0.00 N ATOM 1546 CE2 TRP A 606 -10.733 6.871 -2.968 1.00 0.00 C ATOM 1547 CE3 TRP A 606 -10.660 5.361 -1.090 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 -10.548 5.827 -3.872 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 -10.478 4.332 -1.982 1.00 0.00 C ATOM 1550 CH2 TRP A 606 -10.422 4.565 -3.358 1.00 0.00 C ATOM 0 H TRP A 606 -12.672 10.149 0.676 1.00 0.00 H new ATOM 0 HA TRP A 606 -13.047 7.257 0.516 1.00 0.00 H new ATOM 0 HB2 TRP A 606 -10.707 9.152 0.744 1.00 0.00 H new ATOM 0 HB3 TRP A 606 -10.511 7.437 1.048 1.00 0.00 H new ATOM 0 HD1 TRP A 606 -11.181 9.905 -1.829 1.00 0.00 H new ATOM 0 HE1 TRP A 606 -10.892 8.676 -4.091 1.00 0.00 H new ATOM 0 HE3 TRP A 606 -10.699 5.168 -0.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 -10.506 6.007 -4.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 -10.376 3.323 -1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 606 -10.276 3.732 -4.030 1.00 0.00 H new ATOM 1561 N VAL A 607 -13.294 6.863 2.969 1.00 0.00 N ATOM 1562 CA VAL A 607 -13.417 6.614 4.393 1.00 0.00 C ATOM 1563 C VAL A 607 -12.352 5.637 4.856 1.00 0.00 C ATOM 1564 O VAL A 607 -12.188 4.558 4.294 1.00 0.00 O ATOM 1565 CB VAL A 607 -14.814 6.058 4.747 1.00 0.00 C ATOM 1566 CG1 VAL A 607 -14.973 5.909 6.253 1.00 0.00 C ATOM 1567 CG2 VAL A 607 -15.906 6.953 4.177 1.00 0.00 C ATOM 0 H VAL A 607 -13.795 6.203 2.375 1.00 0.00 H new ATOM 0 HA VAL A 607 -13.282 7.567 4.905 1.00 0.00 H new ATOM 0 HB VAL A 607 -14.910 5.070 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 607 -15.965 5.516 6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 607 -14.216 5.222 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 607 -14.852 6.882 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 607 -16.883 6.545 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 607 -15.809 7.956 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 607 -15.809 7.000 3.092 1.00 0.00 H new ATOM 1577 N GLN A 608 -11.619 6.051 5.873 1.00 0.00 N ATOM 1578 CA GLN A 608 -10.519 5.281 6.417 1.00 0.00 C ATOM 1579 C GLN A 608 -11.056 4.093 7.207 1.00 0.00 C ATOM 1580 O GLN A 608 -11.988 4.230 8.000 1.00 0.00 O ATOM 1581 CB GLN A 608 -9.685 6.187 7.314 1.00 0.00 C ATOM 1582 CG GLN A 608 -8.367 5.588 7.759 1.00 0.00 C ATOM 1583 CD GLN A 608 -7.500 6.618 8.443 1.00 0.00 C ATOM 1584 OE1 GLN A 608 -8.003 7.547 9.075 1.00 0.00 O ATOM 1585 NE2 GLN A 608 -6.198 6.482 8.307 1.00 0.00 N ATOM 0 H GLN A 608 -11.773 6.940 6.348 1.00 0.00 H new ATOM 0 HA GLN A 608 -9.896 4.898 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -9.486 7.118 6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -10.271 6.442 8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -8.554 4.757 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -7.840 5.181 6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -5.820 5.698 7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -5.567 7.161 8.733 1.00 0.00 H new ATOM 1594 N LEU A 609 -10.462 2.934 6.983 1.00 0.00 N ATOM 1595 CA LEU A 609 -10.928 1.692 7.579 1.00 0.00 C ATOM 1596 C LEU A 609 -10.093 1.381 8.805 1.00 0.00 C ATOM 1597 O LEU A 609 -8.899 1.693 8.831 1.00 0.00 O ATOM 1598 CB LEU A 609 -10.777 0.550 6.571 1.00 0.00 C ATOM 1599 CG LEU A 609 -11.546 0.725 5.264 1.00 0.00 C ATOM 1600 CD1 LEU A 609 -10.994 -0.207 4.196 1.00 0.00 C ATOM 1601 CD2 LEU A 609 -13.025 0.458 5.492 1.00 0.00 C ATOM 0 H LEU A 609 -9.644 2.826 6.384 1.00 0.00 H new ATOM 0 HA LEU A 609 -11.976 1.797 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -9.719 0.432 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -11.104 -0.376 7.044 1.00 0.00 H new ATOM 0 HG LEU A 609 -11.425 1.752 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 609 -11.553 -0.071 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -9.942 0.021 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -11.091 -1.240 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -13.566 0.585 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -13.159 -0.562 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -13.411 1.159 6.232 1.00 0.00 H new ATOM 1613 N SER A 610 -10.689 0.787 9.827 1.00 0.00 N ATOM 1614 CA SER A 610 -9.963 0.330 10.987 1.00 0.00 C ATOM 1615 C SER A 610 -9.334 -1.016 10.682 1.00 0.00 C ATOM 1616 O SER A 610 -9.685 -1.653 9.686 1.00 0.00 O ATOM 1617 CB SER A 610 -10.918 0.219 12.172 1.00 0.00 C ATOM 1618 OG SER A 610 -11.777 1.348 12.232 1.00 0.00 O ATOM 0 H SER A 610 -11.693 0.611 9.869 1.00 0.00 H new ATOM 0 HA SER A 610 -9.175 1.040 11.239 1.00 0.00 H new ATOM 0 HB2 SER A 610 -11.511 -0.691 12.083 1.00 0.00 H new ATOM 0 HB3 SER A 610 -10.349 0.139 13.098 1.00 0.00 H new ATOM 0 HG SER A 610 -12.469 1.269 11.543 1.00 0.00 H new ATOM 1624 N ALA A 611 -8.414 -1.447 11.531 1.00 0.00 N ATOM 1625 CA ALA A 611 -7.709 -2.703 11.336 1.00 0.00 C ATOM 1626 C ALA A 611 -8.676 -3.865 11.127 1.00 0.00 C ATOM 1627 O ALA A 611 -8.398 -4.778 10.352 1.00 0.00 O ATOM 1628 CB ALA A 611 -6.798 -2.980 12.521 1.00 0.00 C ATOM 0 H ALA A 611 -8.136 -0.938 12.370 1.00 0.00 H new ATOM 0 HA ALA A 611 -7.105 -2.611 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 611 -6.275 -3.923 12.365 1.00 0.00 H new ATOM 0 HB2 ALA A 611 -6.071 -2.173 12.618 1.00 0.00 H new ATOM 0 HB3 ALA A 611 -7.394 -3.042 13.431 1.00 0.00 H new ATOM 1634 N GLU A 612 -9.808 -3.825 11.817 1.00 0.00 N ATOM 1635 CA GLU A 612 -10.782 -4.910 11.750 1.00 0.00 C ATOM 1636 C GLU A 612 -11.625 -4.837 10.476 1.00 0.00 C ATOM 1637 O GLU A 612 -12.160 -5.847 10.020 1.00 0.00 O ATOM 1638 CB GLU A 612 -11.685 -4.883 12.978 1.00 0.00 C ATOM 1639 CG GLU A 612 -10.981 -5.323 14.247 1.00 0.00 C ATOM 1640 CD GLU A 612 -10.553 -6.775 14.194 1.00 0.00 C ATOM 1641 OE1 GLU A 612 -11.382 -7.656 14.506 1.00 0.00 O ATOM 1642 OE2 GLU A 612 -9.390 -7.046 13.837 1.00 0.00 O ATOM 0 H GLU A 612 -10.076 -3.054 12.429 1.00 0.00 H new ATOM 0 HA GLU A 612 -10.229 -5.849 11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 612 -12.070 -3.873 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 612 -12.544 -5.531 12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 612 -10.106 -4.694 14.411 1.00 0.00 H new ATOM 0 HG3 GLU A 612 -11.645 -5.173 15.099 1.00 0.00 H new ATOM 1649 N GLU A 613 -11.745 -3.646 9.902 1.00 0.00 N ATOM 1650 CA GLU A 613 -12.499 -3.467 8.665 1.00 0.00 C ATOM 1651 C GLU A 613 -11.642 -3.843 7.467 1.00 0.00 C ATOM 1652 O GLU A 613 -12.154 -4.260 6.425 1.00 0.00 O ATOM 1653 CB GLU A 613 -12.964 -2.022 8.525 1.00 0.00 C ATOM 1654 CG GLU A 613 -13.863 -1.560 9.657 1.00 0.00 C ATOM 1655 CD GLU A 613 -14.222 -0.093 9.553 1.00 0.00 C ATOM 1656 OE1 GLU A 613 -13.415 0.749 10.000 1.00 0.00 O ATOM 1657 OE2 GLU A 613 -15.314 0.222 9.032 1.00 0.00 O ATOM 0 H GLU A 613 -11.331 -2.790 10.272 1.00 0.00 H new ATOM 0 HA GLU A 613 -13.372 -4.118 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -12.091 -1.371 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -13.497 -1.911 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -14.776 -2.155 9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -13.365 -1.742 10.609 1.00 0.00 H new ATOM 1664 N ILE A 614 -10.336 -3.672 7.636 1.00 0.00 N ATOM 1665 CA ILE A 614 -9.352 -3.986 6.603 1.00 0.00 C ATOM 1666 C ILE A 614 -9.585 -5.361 5.950 1.00 0.00 C ATOM 1667 O ILE A 614 -9.795 -5.434 4.739 1.00 0.00 O ATOM 1668 CB ILE A 614 -7.919 -3.925 7.188 1.00 0.00 C ATOM 1669 CG1 ILE A 614 -7.514 -2.476 7.473 1.00 0.00 C ATOM 1670 CG2 ILE A 614 -6.925 -4.600 6.260 1.00 0.00 C ATOM 1671 CD1 ILE A 614 -6.117 -2.335 8.042 1.00 0.00 C ATOM 0 H ILE A 614 -9.926 -3.310 8.497 1.00 0.00 H new ATOM 0 HA ILE A 614 -9.470 -3.233 5.824 1.00 0.00 H new ATOM 0 HB ILE A 614 -7.912 -4.469 8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 614 -7.580 -1.901 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 614 -8.227 -2.039 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 614 -5.926 -4.544 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 614 -7.204 -5.645 6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 614 -6.930 -4.096 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 614 -5.901 -1.281 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 614 -6.050 -2.881 8.983 1.00 0.00 H new ATOM 0 HD13 ILE A 614 -5.393 -2.741 7.335 1.00 0.00 H new ATOM 1683 N PRO A 615 -9.585 -6.465 6.731 1.00 0.00 N ATOM 1684 CA PRO A 615 -9.725 -7.818 6.179 1.00 0.00 C ATOM 1685 C PRO A 615 -11.054 -8.031 5.467 1.00 0.00 C ATOM 1686 O PRO A 615 -11.130 -8.796 4.509 1.00 0.00 O ATOM 1687 CB PRO A 615 -9.626 -8.729 7.405 1.00 0.00 C ATOM 1688 CG PRO A 615 -9.947 -7.848 8.557 1.00 0.00 C ATOM 1689 CD PRO A 615 -9.431 -6.497 8.190 1.00 0.00 C ATOM 0 HA PRO A 615 -8.965 -8.017 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -10.326 -9.562 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -8.628 -9.158 7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -11.021 -7.820 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -9.477 -8.212 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -10.001 -5.703 8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.390 -6.369 8.488 1.00 0.00 H new ATOM 1697 N SER A 616 -12.091 -7.329 5.911 1.00 0.00 N ATOM 1698 CA SER A 616 -13.413 -7.474 5.319 1.00 0.00 C ATOM 1699 C SER A 616 -13.412 -6.887 3.910 1.00 0.00 C ATOM 1700 O SER A 616 -14.078 -7.393 3.004 1.00 0.00 O ATOM 1701 CB SER A 616 -14.467 -6.785 6.191 1.00 0.00 C ATOM 1702 OG SER A 616 -15.778 -7.064 5.730 1.00 0.00 O ATOM 0 H SER A 616 -12.041 -6.656 6.676 1.00 0.00 H new ATOM 0 HA SER A 616 -13.663 -8.533 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 616 -14.363 -7.119 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 616 -14.299 -5.708 6.186 1.00 0.00 H new ATOM 0 HG SER A 616 -16.430 -6.613 6.306 1.00 0.00 H new ATOM 1708 N ARG A 617 -12.635 -5.827 3.731 1.00 0.00 N ATOM 1709 CA ARG A 617 -12.416 -5.244 2.419 1.00 0.00 C ATOM 1710 C ARG A 617 -11.518 -6.140 1.580 1.00 0.00 C ATOM 1711 O ARG A 617 -11.775 -6.360 0.394 1.00 0.00 O ATOM 1712 CB ARG A 617 -11.806 -3.852 2.552 1.00 0.00 C ATOM 1713 CG ARG A 617 -12.825 -2.732 2.458 1.00 0.00 C ATOM 1714 CD ARG A 617 -13.896 -2.841 3.530 1.00 0.00 C ATOM 1715 NE ARG A 617 -14.998 -1.914 3.284 1.00 0.00 N ATOM 1716 CZ ARG A 617 -15.870 -1.523 4.211 1.00 0.00 C ATOM 1717 NH1 ARG A 617 -15.753 -1.946 5.462 1.00 0.00 N ATOM 1718 NH2 ARG A 617 -16.861 -0.705 3.886 1.00 0.00 N ATOM 0 H ARG A 617 -12.143 -5.351 4.487 1.00 0.00 H new ATOM 0 HA ARG A 617 -13.379 -5.154 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 617 -11.288 -3.781 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 617 -11.056 -3.717 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 617 -12.317 -1.772 2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 617 -13.294 -2.751 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 617 -14.278 -3.861 3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 617 -13.457 -2.635 4.506 1.00 0.00 H new ATOM 0 HE ARG A 617 -15.106 -1.542 2.340 1.00 0.00 H new ATOM 0 HH11 ARG A 617 -14.992 -2.574 5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 617 -16.424 -1.643 6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 617 -16.956 -0.375 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 617 -17.529 -0.406 4.596 1.00 0.00 H new ATOM 1732 N ILE A 618 -10.474 -6.666 2.214 1.00 0.00 N ATOM 1733 CA ILE A 618 -9.534 -7.562 1.552 1.00 0.00 C ATOM 1734 C ILE A 618 -10.251 -8.771 0.966 1.00 0.00 C ATOM 1735 O ILE A 618 -9.940 -9.209 -0.130 1.00 0.00 O ATOM 1736 CB ILE A 618 -8.438 -8.053 2.521 1.00 0.00 C ATOM 1737 CG1 ILE A 618 -7.605 -6.875 3.025 1.00 0.00 C ATOM 1738 CG2 ILE A 618 -7.551 -9.089 1.846 1.00 0.00 C ATOM 1739 CD1 ILE A 618 -6.507 -7.273 3.988 1.00 0.00 C ATOM 0 H ILE A 618 -10.258 -6.484 3.194 1.00 0.00 H new ATOM 0 HA ILE A 618 -9.068 -6.990 0.750 1.00 0.00 H new ATOM 0 HB ILE A 618 -8.920 -8.524 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 618 -7.160 -6.365 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 618 -8.264 -6.159 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 618 -6.785 -9.423 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 618 -8.157 -9.941 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 618 -7.076 -8.646 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 618 -5.959 -6.385 4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 618 -6.946 -7.756 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 618 -5.824 -7.965 3.495 1.00 0.00 H new ATOM 1751 N GLN A 619 -11.222 -9.295 1.696 1.00 0.00 N ATOM 1752 CA GLN A 619 -11.975 -10.463 1.252 1.00 0.00 C ATOM 1753 C GLN A 619 -12.653 -10.228 -0.092 1.00 0.00 C ATOM 1754 O GLN A 619 -12.763 -11.144 -0.905 1.00 0.00 O ATOM 1755 CB GLN A 619 -12.999 -10.863 2.303 1.00 0.00 C ATOM 1756 CG GLN A 619 -12.356 -11.379 3.574 1.00 0.00 C ATOM 1757 CD GLN A 619 -11.599 -12.674 3.361 1.00 0.00 C ATOM 1758 OE1 GLN A 619 -12.168 -13.761 3.450 1.00 0.00 O ATOM 1759 NE2 GLN A 619 -10.307 -12.566 3.092 1.00 0.00 N ATOM 0 H GLN A 619 -11.510 -8.930 2.604 1.00 0.00 H new ATOM 0 HA GLN A 619 -11.265 -11.279 1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 619 -13.626 -10.003 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 619 -13.654 -11.632 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 619 -11.674 -10.624 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 619 -13.126 -11.533 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 619 -9.875 -11.644 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 619 -9.744 -13.404 2.950 1.00 0.00 H new ATOM 1768 N ALA A 620 -13.114 -9.011 -0.330 1.00 0.00 N ATOM 1769 CA ALA A 620 -13.753 -8.682 -1.593 1.00 0.00 C ATOM 1770 C ALA A 620 -12.722 -8.537 -2.713 1.00 0.00 C ATOM 1771 O ALA A 620 -12.906 -9.056 -3.814 1.00 0.00 O ATOM 1772 CB ALA A 620 -14.557 -7.400 -1.442 1.00 0.00 C ATOM 0 H ALA A 620 -13.058 -8.237 0.332 1.00 0.00 H new ATOM 0 HA ALA A 620 -14.424 -9.497 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 620 -15.035 -7.156 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 620 -15.320 -7.537 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 620 -13.893 -6.586 -1.151 1.00 0.00 H new ATOM 1778 N ILE A 621 -11.634 -7.840 -2.417 1.00 0.00 N ATOM 1779 CA ILE A 621 -10.604 -7.562 -3.418 1.00 0.00 C ATOM 1780 C ILE A 621 -9.577 -8.688 -3.525 1.00 0.00 C ATOM 1781 O ILE A 621 -8.662 -8.623 -4.346 1.00 0.00 O ATOM 1782 CB ILE A 621 -9.855 -6.252 -3.105 1.00 0.00 C ATOM 1783 CG1 ILE A 621 -9.198 -6.329 -1.726 1.00 0.00 C ATOM 1784 CG2 ILE A 621 -10.804 -5.068 -3.173 1.00 0.00 C ATOM 1785 CD1 ILE A 621 -8.340 -5.130 -1.397 1.00 0.00 C ATOM 0 H ILE A 621 -11.438 -7.455 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 621 -11.132 -7.473 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 621 -9.075 -6.114 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 621 -9.975 -6.428 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 621 -8.585 -7.229 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 621 -10.259 -4.151 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 621 -11.231 -5.001 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 621 -11.604 -5.201 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 621 -7.907 -5.254 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 621 -7.541 -5.041 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 621 -8.952 -4.228 -1.416 1.00 0.00 H new ATOM 1797 N THR A 622 -9.721 -9.708 -2.694 1.00 0.00 N ATOM 1798 CA THR A 622 -8.745 -10.789 -2.635 1.00 0.00 C ATOM 1799 C THR A 622 -8.731 -11.603 -3.931 1.00 0.00 C ATOM 1800 O THR A 622 -9.656 -11.524 -4.748 1.00 0.00 O ATOM 1801 CB THR A 622 -8.998 -11.731 -1.428 1.00 0.00 C ATOM 1802 OG1 THR A 622 -7.831 -12.528 -1.176 1.00 0.00 O ATOM 1803 CG2 THR A 622 -10.184 -12.649 -1.683 1.00 0.00 C ATOM 0 H THR A 622 -10.505 -9.812 -2.050 1.00 0.00 H new ATOM 0 HA THR A 622 -7.770 -10.319 -2.505 1.00 0.00 H new ATOM 0 HB THR A 622 -9.219 -11.109 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 622 -7.997 -13.119 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 622 -10.335 -13.296 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 622 -11.079 -12.049 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 622 -9.988 -13.260 -2.564 1.00 0.00 H new ATOM 1811 N GLY A 623 -7.673 -12.379 -4.107 1.00 0.00 N ATOM 1812 CA GLY A 623 -7.517 -13.192 -5.291 1.00 0.00 C ATOM 1813 C GLY A 623 -6.418 -14.213 -5.107 1.00 0.00 C ATOM 1814 O GLY A 623 -5.526 -14.345 -5.948 1.00 0.00 O ATOM 0 H GLY A 623 -6.908 -12.459 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 623 -8.456 -13.699 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 623 -7.287 -12.556 -6.146 1.00 0.00 H new ATOM 1818 N SER A 624 -6.465 -14.907 -3.983 1.00 0.00 N ATOM 1819 CA SER A 624 -5.479 -15.919 -3.661 1.00 0.00 C ATOM 1820 C SER A 624 -6.139 -17.293 -3.578 1.00 0.00 C ATOM 1821 O SER A 624 -5.895 -18.131 -4.473 1.00 0.00 O ATOM 1822 CB SER A 624 -4.790 -15.559 -2.343 1.00 0.00 C ATOM 1823 OG SER A 624 -5.741 -15.280 -1.328 1.00 0.00 O ATOM 1824 OXT SER A 624 -6.927 -17.519 -2.636 1.00 0.00 O ATOM 0 H SER A 624 -7.186 -14.784 -3.272 1.00 0.00 H new ATOM 0 HA SER A 624 -4.727 -15.957 -4.449 1.00 0.00 H new ATOM 0 HB2 SER A 624 -4.149 -16.382 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 624 -4.146 -14.692 -2.491 1.00 0.00 H new ATOM 0 HG SER A 624 -6.490 -15.908 -1.400 1.00 0.00 H new TER 1830 SER A 624