USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 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 600 THR OG1 : rot -53:sc= -1.35! USER MOD Set 1.2: A 605 GLN : amide:sc= -1.56! X(o=-2.9!,f=-2.6) USER MOD Set 2.1: A 531 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-0.28) USER MOD Set 2.2: A 576 HIS : no HD1:sc= 0 X(o=-0.74,f=-0.5) USER MOD Set 2.3: A 577 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 569 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 573 ASN :FLIP amide:sc= -0.195 F(o=-2.2!,f=-0.2) USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 530 GLN :FLIP amide:sc= -1.48 F(o=-2.9,f=-1.5) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -169:sc= -0.0262 (180deg=-0.175) 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) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 550 THR OG1 : rot 113:sc= 1.05 USER MOD Single : A 552 TYR OH : rot 180:sc= 0.27 USER MOD Single : A 553 TYR OH : rot 52:sc= 1.2 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.208 USER MOD Single : A 558 LYS NZ :NH3+ -140:sc= 1.27 (180deg=-0.211) USER MOD Single : A 560 MET CE :methyl 153:sc= -0.552 (180deg=-1.74!) USER MOD Single : A 561 LYS NZ :NH3+ -170:sc= 1.18 (180deg=1.17) USER MOD Single : A 562 GLN :FLIP amide:sc=-0.00633 F(o=-2.4!,f=-0.0063) USER MOD Single : A 568 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.13) USER MOD Single : A 571 SER OG : rot 83:sc= 1.25 USER MOD Single : A 582 HIS : no HD1:sc= 0.171 K(o=0.17,f=-9.1!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 161:sc= -0.131 (180deg=-0.659) USER MOD Single : A 608 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.45) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.17) USER MOD Single : A 622 THR OG1 : rot -39:sc= 0.0124 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 -10.240 18.940 -6.913 1.00 0.00 N ATOM 2 CA ARG A 516 -9.231 18.415 -5.965 1.00 0.00 C ATOM 3 C ARG A 516 -9.027 16.927 -6.186 1.00 0.00 C ATOM 4 O ARG A 516 -9.833 16.273 -6.850 1.00 0.00 O ATOM 5 CB ARG A 516 -9.665 18.660 -4.516 1.00 0.00 C ATOM 6 CG ARG A 516 -9.727 20.127 -4.130 1.00 0.00 C ATOM 7 CD ARG A 516 -10.139 20.302 -2.677 1.00 0.00 C ATOM 8 NE ARG A 516 -11.467 19.749 -2.407 1.00 0.00 N ATOM 9 CZ ARG A 516 -12.033 19.735 -1.200 1.00 0.00 C ATOM 10 NH1 ARG A 516 -11.387 20.230 -0.152 1.00 0.00 N ATOM 11 NH2 ARG A 516 -13.246 19.224 -1.038 1.00 0.00 N ATOM 0 HA ARG A 516 -8.293 18.941 -6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 516 -10.647 18.212 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 516 -8.972 18.148 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 516 -8.753 20.589 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 516 -10.436 20.645 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 516 -9.407 19.815 -2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 516 -10.131 21.362 -2.424 1.00 0.00 H new ATOM 0 HE ARG A 516 -11.990 19.351 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 516 -10.453 20.624 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 516 -11.824 20.217 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 516 -13.749 18.840 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 516 -13.676 19.215 -0.113 1.00 0.00 H new ATOM 27 N ARG A 517 -7.944 16.401 -5.639 1.00 0.00 N ATOM 28 CA ARG A 517 -7.670 14.978 -5.708 1.00 0.00 C ATOM 29 C ARG A 517 -8.362 14.268 -4.556 1.00 0.00 C ATOM 30 O ARG A 517 -8.688 14.893 -3.544 1.00 0.00 O ATOM 31 CB ARG A 517 -6.167 14.711 -5.633 1.00 0.00 C ATOM 32 CG ARG A 517 -5.368 15.333 -6.764 1.00 0.00 C ATOM 33 CD ARG A 517 -3.898 14.976 -6.646 1.00 0.00 C ATOM 34 NE ARG A 517 -3.105 15.492 -7.760 1.00 0.00 N ATOM 35 CZ ARG A 517 -1.812 15.223 -7.937 1.00 0.00 C ATOM 36 NH1 ARG A 517 -1.162 14.469 -7.058 1.00 0.00 N ATOM 37 NH2 ARG A 517 -1.164 15.716 -8.985 1.00 0.00 N ATOM 0 H ARG A 517 -7.238 16.942 -5.140 1.00 0.00 H new ATOM 0 HA ARG A 517 -8.047 14.601 -6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 517 -5.789 15.091 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 517 -6.000 13.634 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 517 -5.755 14.986 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 517 -5.486 16.416 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 517 -3.505 15.373 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 517 -3.793 13.892 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 517 -3.568 16.093 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 517 -1.653 14.095 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 517 -0.172 14.264 -7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 517 -1.656 16.303 -9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 517 -0.174 15.508 -9.117 1.00 0.00 H new ATOM 51 N ARG A 518 -8.596 12.977 -4.709 1.00 0.00 N ATOM 52 CA ARG A 518 -9.131 12.186 -3.618 1.00 0.00 C ATOM 53 C ARG A 518 -8.006 11.844 -2.662 1.00 0.00 C ATOM 54 O ARG A 518 -7.114 11.059 -2.984 1.00 0.00 O ATOM 55 CB ARG A 518 -9.819 10.919 -4.144 1.00 0.00 C ATOM 56 CG ARG A 518 -10.595 10.139 -3.085 1.00 0.00 C ATOM 57 CD ARG A 518 -9.703 9.208 -2.273 1.00 0.00 C ATOM 58 NE ARG A 518 -9.086 8.171 -3.103 1.00 0.00 N ATOM 59 CZ ARG A 518 -8.546 7.049 -2.621 1.00 0.00 C ATOM 60 NH1 ARG A 518 -8.537 6.814 -1.315 1.00 0.00 N ATOM 61 NH2 ARG A 518 -8.009 6.160 -3.446 1.00 0.00 N ATOM 0 H ARG A 518 -8.425 12.458 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 518 -9.888 12.763 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -10.502 11.197 -4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -9.064 10.264 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -11.090 10.840 -2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -11.378 9.555 -3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -8.923 9.791 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -10.292 8.738 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 518 -9.068 8.315 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -8.944 7.493 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -8.123 5.955 -0.954 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -8.008 6.333 -4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -7.597 5.304 -3.075 1.00 0.00 H new ATOM 75 N ILE A 519 -8.044 12.454 -1.497 1.00 0.00 N ATOM 76 CA ILE A 519 -6.987 12.291 -0.525 1.00 0.00 C ATOM 77 C ILE A 519 -7.463 11.412 0.612 1.00 0.00 C ATOM 78 O ILE A 519 -8.588 11.552 1.092 1.00 0.00 O ATOM 79 CB ILE A 519 -6.527 13.644 0.046 1.00 0.00 C ATOM 80 CG1 ILE A 519 -6.599 14.725 -1.040 1.00 0.00 C ATOM 81 CG2 ILE A 519 -5.112 13.529 0.602 1.00 0.00 C ATOM 82 CD1 ILE A 519 -6.078 16.078 -0.602 1.00 0.00 C ATOM 0 H ILE A 519 -8.800 13.070 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 519 -6.142 11.826 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 519 -7.192 13.929 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 519 -6.029 14.392 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 519 -7.635 14.833 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 519 -4.799 14.493 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 519 -5.093 12.782 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 519 -4.431 13.229 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 519 -6.164 16.785 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 519 -6.663 16.436 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 519 -5.032 15.988 -0.309 1.00 0.00 H new ATOM 94 N ALA A 520 -6.611 10.508 1.033 1.00 0.00 N ATOM 95 CA ALA A 520 -6.946 9.589 2.096 1.00 0.00 C ATOM 96 C ALA A 520 -6.125 9.897 3.335 1.00 0.00 C ATOM 97 O ALA A 520 -5.003 10.396 3.239 1.00 0.00 O ATOM 98 CB ALA A 520 -6.724 8.155 1.643 1.00 0.00 C ATOM 0 H ALA A 520 -5.672 10.388 0.652 1.00 0.00 H new ATOM 0 HA ALA A 520 -8.000 9.709 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -6.980 7.473 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.355 7.945 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.678 8.017 1.371 1.00 0.00 H new ATOM 104 N THR A 521 -6.692 9.613 4.491 1.00 0.00 N ATOM 105 CA THR A 521 -5.994 9.770 5.749 1.00 0.00 C ATOM 106 C THR A 521 -5.567 8.410 6.282 1.00 0.00 C ATOM 107 O THR A 521 -6.261 7.420 6.070 1.00 0.00 O ATOM 108 CB THR A 521 -6.888 10.492 6.776 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.264 10.392 6.378 1.00 0.00 O ATOM 110 CG2 THR A 521 -6.500 11.956 6.904 1.00 0.00 C ATOM 0 H THR A 521 -7.647 9.268 4.583 1.00 0.00 H new ATOM 0 HA THR A 521 -5.104 10.377 5.581 1.00 0.00 H new ATOM 0 HB THR A 521 -6.749 10.013 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 521 -8.829 10.851 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.147 12.441 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 521 -5.463 12.030 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 521 -6.612 12.448 5.938 1.00 0.00 H new ATOM 118 N PRO A 522 -4.420 8.340 6.975 1.00 0.00 N ATOM 119 CA PRO A 522 -3.853 7.072 7.450 1.00 0.00 C ATOM 120 C PRO A 522 -4.838 6.281 8.303 1.00 0.00 C ATOM 121 O PRO A 522 -4.950 5.064 8.173 1.00 0.00 O ATOM 122 CB PRO A 522 -2.637 7.501 8.285 1.00 0.00 C ATOM 123 CG PRO A 522 -2.828 8.957 8.542 1.00 0.00 C ATOM 124 CD PRO A 522 -3.582 9.485 7.358 1.00 0.00 C ATOM 0 HA PRO A 522 -3.597 6.410 6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -2.584 6.941 9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -1.707 7.315 7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.384 9.122 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -1.869 9.464 8.653 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.182 10.358 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -2.912 9.785 6.552 1.00 0.00 H new ATOM 132 N GLU A 523 -5.530 6.990 9.180 1.00 0.00 N ATOM 133 CA GLU A 523 -6.555 6.388 10.023 1.00 0.00 C ATOM 134 C GLU A 523 -7.598 5.663 9.161 1.00 0.00 C ATOM 135 O GLU A 523 -8.039 4.565 9.492 1.00 0.00 O ATOM 136 CB GLU A 523 -7.217 7.457 10.898 1.00 0.00 C ATOM 137 CG GLU A 523 -7.789 8.625 10.114 1.00 0.00 C ATOM 138 CD GLU A 523 -8.270 9.743 11.009 1.00 0.00 C ATOM 139 OE1 GLU A 523 -9.444 9.711 11.437 1.00 0.00 O ATOM 140 OE2 GLU A 523 -7.473 10.661 11.291 1.00 0.00 O ATOM 0 H GLU A 523 -5.400 7.991 9.329 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.085 5.653 10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.016 6.995 11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.484 7.835 11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.028 9.010 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.618 8.274 9.499 1.00 0.00 H new ATOM 147 N GLU A 524 -7.982 6.289 8.055 1.00 0.00 N ATOM 148 CA GLU A 524 -8.906 5.689 7.103 1.00 0.00 C ATOM 149 C GLU A 524 -8.248 4.552 6.325 1.00 0.00 C ATOM 150 O GLU A 524 -8.895 3.573 5.985 1.00 0.00 O ATOM 151 CB GLU A 524 -9.421 6.750 6.136 1.00 0.00 C ATOM 152 CG GLU A 524 -10.209 7.847 6.823 1.00 0.00 C ATOM 153 CD GLU A 524 -11.436 7.321 7.532 1.00 0.00 C ATOM 154 OE1 GLU A 524 -12.500 7.216 6.889 1.00 0.00 O ATOM 155 OE2 GLU A 524 -11.346 7.015 8.737 1.00 0.00 O ATOM 0 H GLU A 524 -7.663 7.222 7.794 1.00 0.00 H new ATOM 0 HA GLU A 524 -9.742 5.272 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -8.576 7.193 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.051 6.274 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -9.567 8.355 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -10.510 8.590 6.085 1.00 0.00 H new ATOM 162 N VAL A 525 -6.960 4.691 6.043 1.00 0.00 N ATOM 163 CA VAL A 525 -6.229 3.678 5.284 1.00 0.00 C ATOM 164 C VAL A 525 -6.024 2.408 6.115 1.00 0.00 C ATOM 165 O VAL A 525 -5.968 1.300 5.578 1.00 0.00 O ATOM 166 CB VAL A 525 -4.861 4.214 4.800 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.091 3.150 4.033 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.045 5.455 3.940 1.00 0.00 C ATOM 0 H VAL A 525 -6.398 5.493 6.327 1.00 0.00 H new ATOM 0 HA VAL A 525 -6.833 3.433 4.411 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.279 4.482 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.134 3.558 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -3.917 2.290 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.669 2.839 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.071 5.816 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.654 5.208 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.541 6.231 4.523 1.00 0.00 H new ATOM 178 N ARG A 526 -5.902 2.569 7.427 1.00 0.00 N ATOM 179 CA ARG A 526 -5.796 1.421 8.322 1.00 0.00 C ATOM 180 C ARG A 526 -7.165 0.833 8.630 1.00 0.00 C ATOM 181 O ARG A 526 -7.257 -0.277 9.141 1.00 0.00 O ATOM 182 CB ARG A 526 -5.082 1.782 9.628 1.00 0.00 C ATOM 183 CG ARG A 526 -5.736 2.903 10.409 1.00 0.00 C ATOM 184 CD ARG A 526 -4.902 3.306 11.614 1.00 0.00 C ATOM 185 NE ARG A 526 -3.664 3.991 11.232 1.00 0.00 N ATOM 186 CZ ARG A 526 -2.453 3.430 11.268 1.00 0.00 C ATOM 187 NH1 ARG A 526 -2.320 2.145 11.570 1.00 0.00 N ATOM 188 NH2 ARG A 526 -1.375 4.153 10.985 1.00 0.00 N ATOM 0 H ARG A 526 -5.874 3.476 7.893 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.200 0.672 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.035 0.895 10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.055 2.066 9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -5.877 3.766 9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.726 2.588 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -5.491 3.958 12.259 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -4.658 2.418 12.197 1.00 0.00 H new ATOM 0 HE ARG A 526 -3.732 4.959 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -3.145 1.581 11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -1.393 1.721 11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -1.472 5.138 10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -0.451 3.723 11.013 1.00 0.00 H new ATOM 202 N LEU A 527 -8.223 1.586 8.339 1.00 0.00 N ATOM 203 CA LEU A 527 -9.595 1.126 8.555 1.00 0.00 C ATOM 204 C LEU A 527 -9.823 -0.264 7.933 1.00 0.00 C ATOM 205 O LEU A 527 -10.328 -1.163 8.604 1.00 0.00 O ATOM 206 CB LEU A 527 -10.581 2.158 7.975 1.00 0.00 C ATOM 207 CG LEU A 527 -11.779 2.528 8.852 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.719 1.351 9.009 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.313 3.029 10.208 1.00 0.00 C ATOM 0 H LEU A 527 -8.156 2.526 7.949 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.768 1.032 9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.028 3.070 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -10.958 1.774 7.027 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.326 3.331 8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.562 1.640 9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.084 1.044 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.188 0.521 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.179 3.287 10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.738 2.248 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.687 3.911 10.074 1.00 0.00 H new ATOM 221 N PRO A 528 -9.447 -0.476 6.650 1.00 0.00 N ATOM 222 CA PRO A 528 -9.538 -1.795 6.011 1.00 0.00 C ATOM 223 C PRO A 528 -8.762 -2.867 6.774 1.00 0.00 C ATOM 224 O PRO A 528 -9.213 -4.010 6.887 1.00 0.00 O ATOM 225 CB PRO A 528 -8.914 -1.571 4.631 1.00 0.00 C ATOM 226 CG PRO A 528 -9.062 -0.115 4.377 1.00 0.00 C ATOM 227 CD PRO A 528 -8.940 0.544 5.712 1.00 0.00 C ATOM 0 HA PRO A 528 -10.566 -2.155 5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -7.866 -1.870 4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.423 -2.159 3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.293 0.243 3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -10.026 0.106 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -7.907 0.814 5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.527 1.461 5.761 1.00 0.00 H new ATOM 235 N LEU A 529 -7.612 -2.481 7.322 1.00 0.00 N ATOM 236 CA LEU A 529 -6.741 -3.411 8.042 1.00 0.00 C ATOM 237 C LEU A 529 -7.438 -3.940 9.288 1.00 0.00 C ATOM 238 O LEU A 529 -7.168 -5.052 9.745 1.00 0.00 O ATOM 239 CB LEU A 529 -5.433 -2.724 8.451 1.00 0.00 C ATOM 240 CG LEU A 529 -4.656 -2.044 7.322 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.375 -1.425 7.858 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.342 -3.034 6.217 1.00 0.00 C ATOM 0 H LEU A 529 -7.259 -1.525 7.281 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.516 -4.241 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.660 -1.977 9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.785 -3.467 8.917 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.278 -1.251 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.834 -0.945 7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.620 -0.682 8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.752 -2.203 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -3.789 -2.531 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.739 -3.849 6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.271 -3.435 5.813 1.00 0.00 H new ATOM 254 N GLN A 530 -8.345 -3.134 9.823 1.00 0.00 N ATOM 255 CA GLN A 530 -9.060 -3.477 11.043 1.00 0.00 C ATOM 256 C GLN A 530 -10.169 -4.484 10.750 1.00 0.00 C ATOM 257 O GLN A 530 -10.584 -5.242 11.628 1.00 0.00 O ATOM 258 CB GLN A 530 -9.673 -2.218 11.664 1.00 0.00 C ATOM 259 CG GLN A 530 -8.731 -1.022 11.704 1.00 0.00 C ATOM 260 CD GLN A 530 -9.376 0.214 12.298 1.00 0.00 C ATOM 261 OE1 GLN A 530 -8.936 1.379 11.853 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 -10.265 0.125 13.145 1.00 0.00 N flip ATOM 0 H GLN A 530 -8.604 -2.231 9.426 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.350 -3.921 11.741 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.565 -1.945 11.100 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -9.995 -2.447 12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.847 -1.281 12.287 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.392 -0.799 10.693 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -10.577 -0.793 13.463 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -10.690 0.969 13.529 1.00 0.00 H new ATOM 271 N HIS A 531 -10.636 -4.498 9.508 1.00 0.00 N ATOM 272 CA HIS A 531 -11.801 -5.295 9.143 1.00 0.00 C ATOM 273 C HIS A 531 -11.428 -6.614 8.474 1.00 0.00 C ATOM 274 O HIS A 531 -12.211 -7.562 8.499 1.00 0.00 O ATOM 275 CB HIS A 531 -12.735 -4.486 8.242 1.00 0.00 C ATOM 276 CG HIS A 531 -13.527 -3.461 8.993 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.695 -3.792 9.637 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.269 -2.149 9.192 1.00 0.00 C ATOM 279 CE1 HIS A 531 -15.116 -2.679 10.215 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.285 -1.657 9.973 1.00 0.00 N ATOM 0 H HIS A 531 -10.228 -3.968 8.738 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.317 -5.546 10.070 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.147 -3.989 7.470 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.419 -5.165 7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.425 -1.594 8.810 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -16.016 -2.604 10.807 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.387 -0.698 10.305 1.00 0.00 H new ATOM 288 N GLY A 532 -10.251 -6.683 7.873 1.00 0.00 N ATOM 289 CA GLY A 532 -9.828 -7.928 7.260 1.00 0.00 C ATOM 290 C GLY A 532 -8.925 -7.717 6.067 1.00 0.00 C ATOM 291 O GLY A 532 -8.175 -8.617 5.676 1.00 0.00 O ATOM 0 H GLY A 532 -9.587 -5.912 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.307 -8.534 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.708 -8.492 6.949 1.00 0.00 H new ATOM 295 N TRP A 533 -9.008 -6.539 5.470 1.00 0.00 N ATOM 296 CA TRP A 533 -8.119 -6.177 4.378 1.00 0.00 C ATOM 297 C TRP A 533 -6.692 -6.055 4.888 1.00 0.00 C ATOM 298 O TRP A 533 -6.466 -5.865 6.083 1.00 0.00 O ATOM 299 CB TRP A 533 -8.534 -4.843 3.762 1.00 0.00 C ATOM 300 CG TRP A 533 -9.894 -4.847 3.146 1.00 0.00 C ATOM 301 CD1 TRP A 533 -11.094 -4.812 3.796 1.00 0.00 C ATOM 302 CD2 TRP A 533 -10.191 -4.860 1.750 1.00 0.00 C ATOM 303 NE1 TRP A 533 -12.120 -4.822 2.886 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.591 -4.845 1.622 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.406 -4.884 0.595 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -12.222 -4.854 0.382 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -10.033 -4.891 -0.634 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.428 -4.875 -0.732 1.00 0.00 C ATOM 0 H TRP A 533 -9.682 -5.817 5.723 1.00 0.00 H new ATOM 0 HA TRP A 533 -8.180 -6.959 3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.500 -4.074 4.533 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.804 -4.565 3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.217 -4.781 4.869 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -13.114 -4.814 3.113 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.328 -4.897 0.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -13.299 -4.845 0.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.437 -4.909 -1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.889 -4.879 -1.709 1.00 0.00 H new ATOM 319 N ARG A 534 -5.733 -6.160 3.989 1.00 0.00 N ATOM 320 CA ARG A 534 -4.344 -5.921 4.329 1.00 0.00 C ATOM 321 C ARG A 534 -3.757 -4.949 3.327 1.00 0.00 C ATOM 322 O ARG A 534 -4.305 -4.782 2.234 1.00 0.00 O ATOM 323 CB ARG A 534 -3.532 -7.218 4.322 1.00 0.00 C ATOM 324 CG ARG A 534 -3.870 -8.171 5.453 1.00 0.00 C ATOM 325 CD ARG A 534 -2.913 -9.349 5.472 1.00 0.00 C ATOM 326 NE ARG A 534 -3.198 -10.271 6.566 1.00 0.00 N ATOM 327 CZ ARG A 534 -2.309 -11.124 7.071 1.00 0.00 C ATOM 328 NH1 ARG A 534 -1.064 -11.148 6.606 1.00 0.00 N ATOM 329 NH2 ARG A 534 -2.661 -11.943 8.053 1.00 0.00 N ATOM 0 H ARG A 534 -5.891 -6.410 3.013 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.300 -5.507 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.692 -7.728 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.472 -6.970 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -3.822 -7.643 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -4.893 -8.530 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -2.977 -9.882 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -1.890 -8.983 5.564 1.00 0.00 H new ATOM 0 HE ARG A 534 -4.135 -10.262 6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -0.786 -10.511 5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -0.386 -11.803 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -3.612 -11.919 8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -1.981 -12.597 8.440 1.00 0.00 H new ATOM 343 N ARG A 535 -2.653 -4.320 3.682 1.00 0.00 N ATOM 344 CA ARG A 535 -1.997 -3.423 2.758 1.00 0.00 C ATOM 345 C ARG A 535 -0.493 -3.502 2.938 1.00 0.00 C ATOM 346 O ARG A 535 0.041 -3.173 4.001 1.00 0.00 O ATOM 347 CB ARG A 535 -2.475 -1.997 3.013 1.00 0.00 C ATOM 348 CG ARG A 535 -2.036 -1.000 1.960 1.00 0.00 C ATOM 349 CD ARG A 535 -1.428 0.231 2.597 1.00 0.00 C ATOM 350 NE ARG A 535 -1.519 1.409 1.736 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.641 2.411 1.742 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.411 2.370 2.548 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.813 3.441 0.926 1.00 0.00 N ATOM 0 H ARG A 535 -2.199 -4.413 4.591 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.245 -3.712 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.564 -1.995 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.105 -1.670 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.309 -1.466 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.891 -0.712 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -1.933 0.435 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.381 0.036 2.831 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.305 1.468 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.550 1.570 3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 535 1.082 3.138 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.615 3.465 0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.143 4.210 0.927 1.00 0.00 H new ATOM 367 N GLU A 536 0.181 -3.910 1.891 1.00 0.00 N ATOM 368 CA GLU A 536 1.618 -4.056 1.925 1.00 0.00 C ATOM 369 C GLU A 536 2.240 -3.115 0.913 1.00 0.00 C ATOM 370 O GLU A 536 1.698 -2.925 -0.170 1.00 0.00 O ATOM 371 CB GLU A 536 2.015 -5.499 1.614 1.00 0.00 C ATOM 372 CG GLU A 536 1.559 -6.494 2.666 1.00 0.00 C ATOM 373 CD GLU A 536 2.051 -7.901 2.394 1.00 0.00 C ATOM 374 OE1 GLU A 536 1.720 -8.459 1.328 1.00 0.00 O ATOM 375 OE2 GLU A 536 2.761 -8.466 3.250 1.00 0.00 O ATOM 0 H GLU A 536 -0.246 -4.149 0.996 1.00 0.00 H new ATOM 0 HA GLU A 536 1.980 -3.808 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.594 -5.783 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.099 -5.556 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 536 1.916 -6.172 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.470 -6.497 2.710 1.00 0.00 H new ATOM 382 N VAL A 537 3.355 -2.511 1.259 1.00 0.00 N ATOM 383 CA VAL A 537 4.017 -1.600 0.345 1.00 0.00 C ATOM 384 C VAL A 537 5.389 -2.129 -0.015 1.00 0.00 C ATOM 385 O VAL A 537 6.221 -2.390 0.854 1.00 0.00 O ATOM 386 CB VAL A 537 4.148 -0.176 0.931 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.805 0.769 -0.069 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.787 0.360 1.343 1.00 0.00 C ATOM 0 H VAL A 537 3.821 -2.631 2.158 1.00 0.00 H new ATOM 0 HA VAL A 537 3.397 -1.535 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 537 4.784 -0.235 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.885 1.764 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.800 0.401 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.200 0.819 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.900 1.364 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.131 0.395 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.352 -0.294 2.099 1.00 0.00 H new ATOM 398 N ARG A 538 5.608 -2.293 -1.298 1.00 0.00 N ATOM 399 CA ARG A 538 6.867 -2.795 -1.799 1.00 0.00 C ATOM 400 C ARG A 538 7.693 -1.659 -2.364 1.00 0.00 C ATOM 401 O ARG A 538 7.248 -0.957 -3.271 1.00 0.00 O ATOM 402 CB ARG A 538 6.631 -3.845 -2.880 1.00 0.00 C ATOM 403 CG ARG A 538 6.176 -5.189 -2.347 1.00 0.00 C ATOM 404 CD ARG A 538 5.987 -6.180 -3.479 1.00 0.00 C ATOM 405 NE ARG A 538 5.934 -7.557 -3.007 1.00 0.00 N ATOM 406 CZ ARG A 538 6.205 -8.610 -3.775 1.00 0.00 C ATOM 407 NH1 ARG A 538 6.476 -8.445 -5.065 1.00 0.00 N ATOM 408 NH2 ARG A 538 6.200 -9.829 -3.254 1.00 0.00 N ATOM 0 H ARG A 538 4.921 -2.083 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 538 7.407 -3.256 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 538 5.882 -3.471 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.553 -3.983 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.912 -5.573 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 538 5.240 -5.071 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 538 5.066 -5.946 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.805 -6.074 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 538 5.675 -7.724 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 538 6.477 -7.509 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 538 6.683 -9.254 -5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 538 5.989 -9.960 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 538 6.408 -10.636 -3.842 1.00 0.00 H new ATOM 422 N ILE A 539 8.886 -1.464 -1.828 1.00 0.00 N ATOM 423 CA ILE A 539 9.769 -0.449 -2.352 1.00 0.00 C ATOM 424 C ILE A 539 10.985 -1.093 -3.001 1.00 0.00 C ATOM 425 O ILE A 539 11.723 -1.857 -2.373 1.00 0.00 O ATOM 426 CB ILE A 539 10.214 0.514 -1.245 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.987 1.006 -0.476 1.00 0.00 C ATOM 428 CG2 ILE A 539 10.985 1.684 -1.839 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.297 2.021 0.594 1.00 0.00 C ATOM 0 H ILE A 539 9.258 -1.992 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 539 9.223 0.120 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 539 10.877 -0.009 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.280 1.442 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.492 0.150 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.294 2.359 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.866 1.311 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.347 2.221 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.374 2.318 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.978 1.584 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.763 2.896 0.141 1.00 0.00 H new ATOM 441 N LYS A 540 11.176 -0.772 -4.263 1.00 0.00 N ATOM 442 CA LYS A 540 12.244 -1.358 -5.050 1.00 0.00 C ATOM 443 C LYS A 540 13.051 -0.301 -5.781 1.00 0.00 C ATOM 444 O LYS A 540 12.517 0.723 -6.215 1.00 0.00 O ATOM 445 CB LYS A 540 11.659 -2.365 -6.044 1.00 0.00 C ATOM 446 CG LYS A 540 10.514 -1.802 -6.876 1.00 0.00 C ATOM 447 CD LYS A 540 9.830 -2.880 -7.702 1.00 0.00 C ATOM 448 CE LYS A 540 10.781 -3.502 -8.710 1.00 0.00 C ATOM 449 NZ LYS A 540 10.126 -4.572 -9.507 1.00 0.00 N ATOM 0 H LYS A 540 10.600 -0.101 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 540 12.923 -1.871 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 540 12.450 -2.705 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.305 -3.239 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 540 9.784 -1.331 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 540 10.894 -1.024 -7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 540 9.443 -3.655 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 540 8.975 -2.451 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 540 11.155 -2.728 -9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 540 11.643 -3.916 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 10.810 -4.970 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 9.791 -5.323 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 9.318 -4.173 -10.027 1.00 0.00 H new ATOM 463 N LYS A 541 14.344 -0.550 -5.898 1.00 0.00 N ATOM 464 CA LYS A 541 15.195 0.359 -6.638 1.00 0.00 C ATOM 465 C LYS A 541 14.949 0.168 -8.129 1.00 0.00 C ATOM 466 O LYS A 541 14.996 -0.954 -8.635 1.00 0.00 O ATOM 467 CB LYS A 541 16.669 0.105 -6.307 1.00 0.00 C ATOM 468 CG LYS A 541 17.637 0.937 -7.134 1.00 0.00 C ATOM 469 CD LYS A 541 17.470 2.421 -6.866 1.00 0.00 C ATOM 470 CE LYS A 541 18.378 3.255 -7.752 1.00 0.00 C ATOM 471 NZ LYS A 541 19.812 2.938 -7.532 1.00 0.00 N ATOM 0 H LYS A 541 14.819 -1.359 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 541 14.957 1.385 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 541 16.836 0.315 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 541 16.889 -0.951 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.660 0.639 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.475 0.738 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.432 2.707 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.691 2.629 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.124 3.081 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.206 4.313 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.402 3.648 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.017 2.948 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.023 1.996 -7.919 1.00 0.00 H new ATOM 485 N GLY A 542 14.669 1.254 -8.822 1.00 0.00 N ATOM 486 CA GLY A 542 14.399 1.169 -10.239 1.00 0.00 C ATOM 487 C GLY A 542 15.576 1.631 -11.066 1.00 0.00 C ATOM 488 O GLY A 542 16.523 2.214 -10.535 1.00 0.00 O ATOM 0 H GLY A 542 14.623 2.195 -8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 542 14.153 0.140 -10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 542 13.526 1.776 -10.479 1.00 0.00 H new ATOM 492 N SER A 543 15.521 1.373 -12.364 1.00 0.00 N ATOM 493 CA SER A 543 16.590 1.766 -13.268 1.00 0.00 C ATOM 494 C SER A 543 16.637 3.284 -13.409 1.00 0.00 C ATOM 495 O SER A 543 17.700 3.871 -13.620 1.00 0.00 O ATOM 496 CB SER A 543 16.370 1.125 -14.638 1.00 0.00 C ATOM 497 OG SER A 543 16.061 -0.256 -14.508 1.00 0.00 O ATOM 0 H SER A 543 14.744 0.891 -12.816 1.00 0.00 H new ATOM 0 HA SER A 543 17.540 1.424 -12.857 1.00 0.00 H new ATOM 0 HB2 SER A 543 15.559 1.636 -15.157 1.00 0.00 H new ATOM 0 HB3 SER A 543 17.265 1.246 -15.248 1.00 0.00 H new ATOM 0 HG SER A 543 15.923 -0.645 -15.397 1.00 0.00 H new ATOM 503 N HIS A 544 15.479 3.913 -13.267 1.00 0.00 N ATOM 504 CA HIS A 544 15.362 5.350 -13.458 1.00 0.00 C ATOM 505 C HIS A 544 15.386 6.081 -12.124 1.00 0.00 C ATOM 506 O HIS A 544 16.087 7.080 -11.967 1.00 0.00 O ATOM 507 CB HIS A 544 14.069 5.691 -14.205 1.00 0.00 C ATOM 508 CG HIS A 544 13.928 4.993 -15.523 1.00 0.00 C ATOM 509 ND1 HIS A 544 14.598 5.427 -16.639 1.00 0.00 N ATOM 510 CD2 HIS A 544 13.193 3.902 -15.844 1.00 0.00 C ATOM 511 CE1 HIS A 544 14.260 4.594 -17.608 1.00 0.00 C ATOM 512 NE2 HIS A 544 13.411 3.654 -17.174 1.00 0.00 N ATOM 0 H HIS A 544 14.605 3.448 -13.019 1.00 0.00 H new ATOM 0 HA HIS A 544 16.216 5.675 -14.052 1.00 0.00 H new ATOM 0 HB2 HIS A 544 13.218 5.432 -13.575 1.00 0.00 H new ATOM 0 HB3 HIS A 544 14.029 6.768 -14.369 1.00 0.00 H new ATOM 0 HD2 HIS A 544 12.557 3.336 -15.179 1.00 0.00 H new ATOM 0 HE1 HIS A 544 14.623 4.663 -18.623 1.00 0.00 H new ATOM 0 HE2 HIS A 544 13.005 2.899 -17.727 1.00 0.00 H new ATOM 520 N ARG A 545 14.612 5.584 -11.169 1.00 0.00 N ATOM 521 CA ARG A 545 14.480 6.244 -9.878 1.00 0.00 C ATOM 522 C ARG A 545 14.122 5.248 -8.782 1.00 0.00 C ATOM 523 O ARG A 545 14.074 4.040 -9.006 1.00 0.00 O ATOM 524 CB ARG A 545 13.394 7.324 -9.947 1.00 0.00 C ATOM 525 CG ARG A 545 12.011 6.769 -10.260 1.00 0.00 C ATOM 526 CD ARG A 545 10.924 7.802 -10.024 1.00 0.00 C ATOM 527 NE ARG A 545 9.592 7.257 -10.276 1.00 0.00 N ATOM 528 CZ ARG A 545 8.684 7.011 -9.327 1.00 0.00 C ATOM 529 NH1 ARG A 545 8.954 7.253 -8.048 1.00 0.00 N ATOM 530 NH2 ARG A 545 7.502 6.515 -9.664 1.00 0.00 N ATOM 0 H ARG A 545 14.067 4.727 -11.264 1.00 0.00 H new ATOM 0 HA ARG A 545 15.442 6.698 -9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 545 13.358 7.854 -8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 545 13.666 8.054 -10.709 1.00 0.00 H new ATOM 0 HG2 ARG A 545 11.978 6.437 -11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 545 11.821 5.893 -9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 545 10.981 8.161 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 545 11.093 8.662 -10.672 1.00 0.00 H new ATOM 0 HE ARG A 545 9.338 7.050 -11.242 1.00 0.00 H new ATOM 0 HH11 ARG A 545 9.863 7.631 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 545 8.252 7.061 -7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.290 6.323 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 545 6.805 6.325 -8.944 1.00 0.00 H new ATOM 544 N TRP A 546 13.874 5.784 -7.601 1.00 0.00 N ATOM 545 CA TRP A 546 13.356 4.983 -6.508 1.00 0.00 C ATOM 546 C TRP A 546 11.845 4.935 -6.602 1.00 0.00 C ATOM 547 O TRP A 546 11.185 5.973 -6.658 1.00 0.00 O ATOM 548 CB TRP A 546 13.790 5.535 -5.154 1.00 0.00 C ATOM 549 CG TRP A 546 15.152 5.073 -4.757 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.344 5.640 -5.096 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.458 3.929 -3.955 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.377 4.918 -4.548 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.858 3.864 -3.842 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.683 2.953 -3.318 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.499 2.862 -3.120 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.321 1.959 -2.602 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.718 1.919 -2.509 1.00 0.00 C ATOM 0 H TRP A 546 14.022 6.767 -7.375 1.00 0.00 H new ATOM 0 HA TRP A 546 13.763 3.975 -6.591 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.775 6.624 -5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 546 13.071 5.230 -4.394 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.460 6.525 -5.705 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.369 5.132 -4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.605 2.977 -3.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.576 2.830 -3.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.733 1.201 -2.106 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.188 1.128 -1.944 1.00 0.00 H new ATOM 568 N GLN A 547 11.299 3.733 -6.640 1.00 0.00 N ATOM 569 CA GLN A 547 9.867 3.566 -6.777 1.00 0.00 C ATOM 570 C GLN A 547 9.297 2.660 -5.700 1.00 0.00 C ATOM 571 O GLN A 547 10.002 1.853 -5.094 1.00 0.00 O ATOM 572 CB GLN A 547 9.535 3.011 -8.164 1.00 0.00 C ATOM 573 CG GLN A 547 10.272 1.724 -8.493 1.00 0.00 C ATOM 574 CD GLN A 547 10.012 1.243 -9.906 1.00 0.00 C ATOM 575 OE1 GLN A 547 10.715 1.624 -10.842 1.00 0.00 O ATOM 576 NE2 GLN A 547 9.006 0.399 -10.069 1.00 0.00 N ATOM 0 H GLN A 547 11.825 2.861 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 547 9.406 4.547 -6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.462 2.832 -8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 547 9.778 3.762 -8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.342 1.879 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.971 0.948 -7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.448 0.109 -9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.788 0.038 -10.998 1.00 0.00 H new ATOM 585 N GLY A 548 8.008 2.806 -5.488 1.00 0.00 N ATOM 586 CA GLY A 548 7.306 2.008 -4.517 1.00 0.00 C ATOM 587 C GLY A 548 5.897 1.728 -4.968 1.00 0.00 C ATOM 588 O GLY A 548 5.311 2.522 -5.708 1.00 0.00 O ATOM 0 H GLY A 548 7.422 3.479 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.836 1.068 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.289 2.527 -3.558 1.00 0.00 H new ATOM 592 N GLU A 549 5.351 0.609 -4.538 1.00 0.00 N ATOM 593 CA GLU A 549 4.006 0.235 -4.923 1.00 0.00 C ATOM 594 C GLU A 549 3.241 -0.302 -3.727 1.00 0.00 C ATOM 595 O GLU A 549 3.806 -0.931 -2.831 1.00 0.00 O ATOM 596 CB GLU A 549 4.032 -0.802 -6.047 1.00 0.00 C ATOM 597 CG GLU A 549 4.522 -2.161 -5.596 1.00 0.00 C ATOM 598 CD GLU A 549 4.817 -3.094 -6.751 1.00 0.00 C ATOM 599 OE1 GLU A 549 3.856 -3.605 -7.362 1.00 0.00 O ATOM 600 OE2 GLU A 549 6.005 -3.322 -7.057 1.00 0.00 O ATOM 0 H GLU A 549 5.818 -0.057 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 549 3.497 1.126 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.029 -0.904 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.673 -0.441 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.424 -2.036 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.771 -2.616 -4.950 1.00 0.00 H new ATOM 607 N THR A 550 1.962 -0.035 -3.727 1.00 0.00 N ATOM 608 CA THR A 550 1.104 -0.439 -2.631 1.00 0.00 C ATOM 609 C THR A 550 0.170 -1.565 -3.050 1.00 0.00 C ATOM 610 O THR A 550 -0.518 -1.475 -4.065 1.00 0.00 O ATOM 611 CB THR A 550 0.282 0.742 -2.104 1.00 0.00 C ATOM 612 OG1 THR A 550 1.148 1.731 -1.531 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.723 0.273 -1.072 1.00 0.00 C ATOM 0 H THR A 550 1.483 0.464 -4.477 1.00 0.00 H new ATOM 0 HA THR A 550 1.753 -0.799 -1.832 1.00 0.00 H new ATOM 0 HB THR A 550 -0.259 1.185 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.121 2.545 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.297 1.126 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.398 -0.453 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.198 -0.192 -0.238 1.00 0.00 H new ATOM 621 N TRP A 551 0.203 -2.645 -2.294 1.00 0.00 N ATOM 622 CA TRP A 551 -0.625 -3.795 -2.581 1.00 0.00 C ATOM 623 C TRP A 551 -1.742 -3.925 -1.545 1.00 0.00 C ATOM 624 O TRP A 551 -1.586 -3.569 -0.375 1.00 0.00 O ATOM 625 CB TRP A 551 0.206 -5.077 -2.600 1.00 0.00 C ATOM 626 CG TRP A 551 0.844 -5.348 -3.924 1.00 0.00 C ATOM 627 CD1 TRP A 551 1.795 -4.595 -4.539 1.00 0.00 C ATOM 628 CD2 TRP A 551 0.573 -6.451 -4.798 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.132 -5.155 -5.747 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.397 -6.297 -5.928 1.00 0.00 C ATOM 631 CE3 TRP A 551 -0.286 -7.552 -4.737 1.00 0.00 C ATOM 632 CZ2 TRP A 551 1.389 -7.202 -6.986 1.00 0.00 C ATOM 633 CZ3 TRP A 551 -0.293 -8.450 -5.788 1.00 0.00 C ATOM 634 CH2 TRP A 551 0.539 -8.270 -6.899 1.00 0.00 C ATOM 0 H TRP A 551 0.799 -2.748 -1.472 1.00 0.00 H new ATOM 0 HA TRP A 551 -1.066 -3.648 -3.567 1.00 0.00 H new ATOM 0 HB2 TRP A 551 0.982 -5.010 -1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.432 -5.919 -2.333 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.223 -3.689 -4.136 1.00 0.00 H new ATOM 0 HE1 TRP A 551 2.818 -4.781 -6.403 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.932 -7.698 -3.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.031 -7.066 -7.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.952 -9.305 -5.751 1.00 0.00 H new ATOM 0 HH2 TRP A 551 0.509 -8.989 -7.704 1.00 0.00 H new ATOM 645 N TYR A 552 -2.855 -4.444 -2.017 1.00 0.00 N ATOM 646 CA TYR A 552 -4.012 -4.717 -1.169 1.00 0.00 C ATOM 647 C TYR A 552 -4.522 -6.123 -1.417 1.00 0.00 C ATOM 648 O TYR A 552 -4.327 -6.679 -2.496 1.00 0.00 O ATOM 649 CB TYR A 552 -5.142 -3.717 -1.438 1.00 0.00 C ATOM 650 CG TYR A 552 -5.085 -2.431 -0.633 1.00 0.00 C ATOM 651 CD1 TYR A 552 -4.306 -1.355 -1.039 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.847 -2.282 0.519 1.00 0.00 C ATOM 653 CE1 TYR A 552 -4.286 -0.176 -0.322 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.836 -1.102 1.237 1.00 0.00 C ATOM 655 CZ TYR A 552 -5.056 -0.053 0.811 1.00 0.00 C ATOM 656 OH TYR A 552 -5.039 1.126 1.522 1.00 0.00 O ATOM 0 H TYR A 552 -2.991 -4.691 -2.997 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.695 -4.618 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -5.133 -3.462 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -6.094 -4.209 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.705 -1.443 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -6.459 -3.104 0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.668 0.647 -0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -6.437 -1.004 2.129 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.638 1.051 2.294 1.00 0.00 H new ATOM 666 N TYR A 553 -5.170 -6.706 -0.422 1.00 0.00 N ATOM 667 CA TYR A 553 -5.691 -8.057 -0.548 1.00 0.00 C ATOM 668 C TYR A 553 -7.105 -8.136 0.006 1.00 0.00 C ATOM 669 O TYR A 553 -7.364 -7.692 1.129 1.00 0.00 O ATOM 670 CB TYR A 553 -4.789 -9.041 0.207 1.00 0.00 C ATOM 671 CG TYR A 553 -3.321 -8.920 -0.144 1.00 0.00 C ATOM 672 CD1 TYR A 553 -2.520 -7.961 0.464 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.740 -9.757 -1.086 1.00 0.00 C ATOM 674 CE1 TYR A 553 -1.185 -7.842 0.144 1.00 0.00 C ATOM 675 CE2 TYR A 553 -1.403 -9.643 -1.411 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.631 -8.684 -0.794 1.00 0.00 C ATOM 677 OH TYR A 553 0.702 -8.569 -1.106 1.00 0.00 O ATOM 0 H TYR A 553 -5.348 -6.266 0.481 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.710 -8.321 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.911 -8.882 1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -5.120 -10.058 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.951 -7.298 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -3.343 -10.509 -1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.576 -7.092 0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.965 -10.303 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 553 1.234 -8.595 -0.283 1.00 0.00 H new ATOM 687 N GLY A 554 -8.011 -8.695 -0.784 1.00 0.00 N ATOM 688 CA GLY A 554 -9.375 -8.876 -0.339 1.00 0.00 C ATOM 689 C GLY A 554 -9.472 -9.890 0.784 1.00 0.00 C ATOM 690 O GLY A 554 -8.865 -10.960 0.711 1.00 0.00 O ATOM 0 H GLY A 554 -7.823 -9.027 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.777 -7.921 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.990 -9.202 -1.177 1.00 0.00 H new ATOM 694 N PRO A 555 -10.230 -9.578 1.843 1.00 0.00 N ATOM 695 CA PRO A 555 -10.371 -10.457 3.008 1.00 0.00 C ATOM 696 C PRO A 555 -11.225 -11.686 2.717 1.00 0.00 C ATOM 697 O PRO A 555 -11.333 -12.591 3.548 1.00 0.00 O ATOM 698 CB PRO A 555 -11.066 -9.565 4.038 1.00 0.00 C ATOM 699 CG PRO A 555 -11.830 -8.579 3.227 1.00 0.00 C ATOM 700 CD PRO A 555 -11.004 -8.332 1.996 1.00 0.00 C ATOM 0 HA PRO A 555 -9.409 -10.852 3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.727 -10.145 4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -10.343 -9.070 4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.814 -8.967 2.966 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.989 -7.655 3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.630 -8.139 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -10.352 -7.467 2.117 1.00 0.00 H new ATOM 708 N CYS A 556 -11.830 -11.716 1.540 1.00 0.00 N ATOM 709 CA CYS A 556 -12.741 -12.790 1.184 1.00 0.00 C ATOM 710 C CYS A 556 -12.516 -13.257 -0.250 1.00 0.00 C ATOM 711 O CYS A 556 -13.231 -14.132 -0.739 1.00 0.00 O ATOM 712 CB CYS A 556 -14.189 -12.315 1.339 1.00 0.00 C ATOM 713 SG CYS A 556 -14.553 -11.543 2.934 1.00 0.00 S ATOM 0 H CYS A 556 -11.706 -11.009 0.816 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.549 -13.628 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -14.412 -11.603 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.855 -13.167 1.200 1.00 0.00 H new ATOM 0 HG CYS A 556 -15.800 -11.175 2.964 1.00 0.00 H new ATOM 719 N GLY A 557 -11.517 -12.700 -0.926 1.00 0.00 N ATOM 720 CA GLY A 557 -11.422 -12.893 -2.354 1.00 0.00 C ATOM 721 C GLY A 557 -10.022 -12.672 -2.890 1.00 0.00 C ATOM 722 O GLY A 557 -9.034 -13.033 -2.251 1.00 0.00 O ATOM 0 H GLY A 557 -10.782 -12.126 -0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.744 -13.905 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.108 -12.210 -2.854 1.00 0.00 H new ATOM 726 N LYS A 558 -9.958 -12.071 -4.067 1.00 0.00 N ATOM 727 CA LYS A 558 -8.689 -11.848 -4.757 1.00 0.00 C ATOM 728 C LYS A 558 -7.950 -10.647 -4.171 1.00 0.00 C ATOM 729 O LYS A 558 -8.409 -10.030 -3.210 1.00 0.00 O ATOM 730 CB LYS A 558 -8.902 -11.653 -6.266 1.00 0.00 C ATOM 731 CG LYS A 558 -9.519 -10.316 -6.672 1.00 0.00 C ATOM 732 CD LYS A 558 -11.014 -10.277 -6.412 1.00 0.00 C ATOM 733 CE LYS A 558 -11.725 -9.354 -7.390 1.00 0.00 C ATOM 734 NZ LYS A 558 -11.073 -8.022 -7.492 1.00 0.00 N ATOM 0 H LYS A 558 -10.774 -11.725 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 558 -8.077 -12.738 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.940 -11.758 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -9.542 -12.456 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -9.034 -9.511 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.330 -10.136 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -11.425 -11.283 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -11.199 -9.940 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -11.747 -9.821 -8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -12.761 -9.225 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -11.802 -7.282 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -10.481 -7.860 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -10.479 -7.991 -8.345 1.00 0.00 H new ATOM 748 N ARG A 559 -6.817 -10.303 -4.766 1.00 0.00 N ATOM 749 CA ARG A 559 -6.033 -9.176 -4.292 1.00 0.00 C ATOM 750 C ARG A 559 -5.885 -8.135 -5.384 1.00 0.00 C ATOM 751 O ARG A 559 -5.759 -8.463 -6.564 1.00 0.00 O ATOM 752 CB ARG A 559 -4.650 -9.604 -3.784 1.00 0.00 C ATOM 753 CG ARG A 559 -3.678 -10.073 -4.859 1.00 0.00 C ATOM 754 CD ARG A 559 -3.979 -11.488 -5.318 1.00 0.00 C ATOM 755 NE ARG A 559 -4.095 -12.415 -4.193 1.00 0.00 N ATOM 756 CZ ARG A 559 -4.402 -13.703 -4.322 1.00 0.00 C ATOM 757 NH1 ARG A 559 -4.621 -14.219 -5.526 1.00 0.00 N ATOM 758 NH2 ARG A 559 -4.494 -14.474 -3.246 1.00 0.00 N ATOM 0 H ARG A 559 -6.423 -10.786 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 559 -6.573 -8.743 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -4.201 -8.765 -3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.780 -10.408 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.727 -9.397 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.660 -10.026 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -4.907 -11.494 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -3.189 -11.828 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 559 -3.931 -12.053 -3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -4.554 -13.627 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -4.856 -15.207 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -4.329 -14.079 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -4.729 -15.462 -3.345 1.00 0.00 H new ATOM 772 N MET A 560 -5.926 -6.885 -4.977 1.00 0.00 N ATOM 773 CA MET A 560 -5.856 -5.784 -5.912 1.00 0.00 C ATOM 774 C MET A 560 -4.752 -4.817 -5.524 1.00 0.00 C ATOM 775 O MET A 560 -4.488 -4.606 -4.348 1.00 0.00 O ATOM 776 CB MET A 560 -7.200 -5.052 -5.991 1.00 0.00 C ATOM 777 CG MET A 560 -8.358 -5.922 -6.478 1.00 0.00 C ATOM 778 SD MET A 560 -8.985 -7.068 -5.230 1.00 0.00 S ATOM 779 CE MET A 560 -9.317 -5.948 -3.874 1.00 0.00 C ATOM 0 H MET A 560 -6.008 -6.605 -4.000 1.00 0.00 H new ATOM 0 HA MET A 560 -5.627 -6.193 -6.896 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.445 -4.659 -5.005 1.00 0.00 H new ATOM 0 HB3 MET A 560 -7.097 -4.197 -6.659 1.00 0.00 H new ATOM 0 HG2 MET A 560 -9.172 -5.276 -6.806 1.00 0.00 H new ATOM 0 HG3 MET A 560 -8.032 -6.491 -7.349 1.00 0.00 H new ATOM 0 HE1 MET A 560 -10.109 -6.359 -3.248 1.00 0.00 H new ATOM 0 HE2 MET A 560 -8.413 -5.820 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.631 -4.982 -4.269 1.00 0.00 H new ATOM 789 N LYS A 561 -4.115 -4.224 -6.514 1.00 0.00 N ATOM 790 CA LYS A 561 -3.059 -3.261 -6.259 1.00 0.00 C ATOM 791 C LYS A 561 -3.240 -2.055 -7.167 1.00 0.00 C ATOM 792 O LYS A 561 -2.357 -1.206 -7.304 1.00 0.00 O ATOM 793 CB LYS A 561 -1.678 -3.892 -6.440 1.00 0.00 C ATOM 794 CG LYS A 561 -1.404 -4.449 -7.832 1.00 0.00 C ATOM 795 CD LYS A 561 -0.501 -3.533 -8.644 1.00 0.00 C ATOM 796 CE LYS A 561 0.903 -3.501 -8.068 1.00 0.00 C ATOM 797 NZ LYS A 561 1.823 -2.634 -8.846 1.00 0.00 N ATOM 0 H LYS A 561 -4.309 -4.391 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 561 -3.125 -2.932 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.920 -3.144 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.564 -4.697 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.940 -5.431 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -2.348 -4.588 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.466 -3.875 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -0.916 -2.525 -8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.861 -3.146 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.303 -4.515 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 2.799 -2.779 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.759 -2.878 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 1.557 -1.638 -8.713 1.00 0.00 H new ATOM 811 N GLN A 562 -4.411 -1.994 -7.777 1.00 0.00 N ATOM 812 CA GLN A 562 -4.787 -0.871 -8.609 1.00 0.00 C ATOM 813 C GLN A 562 -6.135 -0.336 -8.169 1.00 0.00 C ATOM 814 O GLN A 562 -7.003 -1.099 -7.742 1.00 0.00 O ATOM 815 CB GLN A 562 -4.855 -1.277 -10.082 1.00 0.00 C ATOM 816 CG GLN A 562 -3.595 -1.944 -10.607 1.00 0.00 C ATOM 817 CD GLN A 562 -2.509 -0.970 -11.054 1.00 0.00 C ATOM 818 OE1 GLN A 562 -2.479 0.226 -10.487 1.00 0.00 O flip ATOM 819 NE2 GLN A 562 -1.702 -1.292 -11.924 1.00 0.00 N flip ATOM 0 H GLN A 562 -5.124 -2.720 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 562 -4.028 -0.096 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.696 -1.956 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.059 -0.390 -10.682 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.189 -2.591 -9.829 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.860 -2.585 -11.448 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -1.748 -2.220 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -0.986 -0.631 -12.226 1.00 0.00 H new ATOM 828 N PHE A 563 -6.300 0.971 -8.280 1.00 0.00 N ATOM 829 CA PHE A 563 -7.549 1.630 -7.922 1.00 0.00 C ATOM 830 C PHE A 563 -8.747 1.039 -8.676 1.00 0.00 C ATOM 831 O PHE A 563 -9.747 0.684 -8.050 1.00 0.00 O ATOM 832 CB PHE A 563 -7.445 3.130 -8.189 1.00 0.00 C ATOM 833 CG PHE A 563 -8.629 3.914 -7.708 1.00 0.00 C ATOM 834 CD1 PHE A 563 -9.042 3.825 -6.390 1.00 0.00 C ATOM 835 CD2 PHE A 563 -9.323 4.744 -8.570 1.00 0.00 C ATOM 836 CE1 PHE A 563 -10.124 4.553 -5.940 1.00 0.00 C ATOM 837 CE2 PHE A 563 -10.406 5.476 -8.126 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.806 5.382 -6.809 1.00 0.00 C ATOM 0 H PHE A 563 -5.577 1.605 -8.619 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.717 1.461 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.546 3.514 -7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.325 3.291 -9.260 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.512 3.179 -5.706 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -9.014 4.820 -9.602 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.437 4.475 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.939 6.121 -8.809 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.651 5.956 -6.458 1.00 0.00 H new ATOM 848 N PRO A 564 -8.671 0.895 -10.021 1.00 0.00 N ATOM 849 CA PRO A 564 -9.786 0.369 -10.814 1.00 0.00 C ATOM 850 C PRO A 564 -10.115 -1.076 -10.461 1.00 0.00 C ATOM 851 O PRO A 564 -11.197 -1.567 -10.771 1.00 0.00 O ATOM 852 CB PRO A 564 -9.292 0.464 -12.259 1.00 0.00 C ATOM 853 CG PRO A 564 -7.811 0.509 -12.153 1.00 0.00 C ATOM 854 CD PRO A 564 -7.514 1.227 -10.875 1.00 0.00 C ATOM 0 HA PRO A 564 -10.704 0.927 -10.632 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.620 -0.394 -12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.680 1.355 -12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.389 -0.496 -12.144 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.374 1.030 -13.005 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.577 0.889 -10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.424 2.302 -11.029 1.00 0.00 H new ATOM 862 N GLU A 565 -9.194 -1.743 -9.775 1.00 0.00 N ATOM 863 CA GLU A 565 -9.400 -3.111 -9.323 1.00 0.00 C ATOM 864 C GLU A 565 -10.120 -3.140 -7.980 1.00 0.00 C ATOM 865 O GLU A 565 -10.799 -4.111 -7.640 1.00 0.00 O ATOM 866 CB GLU A 565 -8.057 -3.831 -9.225 1.00 0.00 C ATOM 867 CG GLU A 565 -7.359 -4.002 -10.564 1.00 0.00 C ATOM 868 CD GLU A 565 -8.125 -4.905 -11.508 1.00 0.00 C ATOM 869 OE1 GLU A 565 -8.243 -6.111 -11.217 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.616 -4.414 -12.545 1.00 0.00 O ATOM 0 H GLU A 565 -8.288 -1.352 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 565 -10.028 -3.626 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.404 -3.274 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -8.212 -4.813 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.227 -3.025 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.363 -4.414 -10.401 1.00 0.00 H new ATOM 877 N VAL A 566 -9.951 -2.082 -7.211 1.00 0.00 N ATOM 878 CA VAL A 566 -10.609 -1.982 -5.919 1.00 0.00 C ATOM 879 C VAL A 566 -12.081 -1.608 -6.097 1.00 0.00 C ATOM 880 O VAL A 566 -12.961 -2.238 -5.508 1.00 0.00 O ATOM 881 CB VAL A 566 -9.893 -0.979 -4.984 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.742 -0.679 -3.755 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.531 -1.530 -4.566 1.00 0.00 C ATOM 0 H VAL A 566 -9.367 -1.282 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.553 -2.961 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.746 -0.047 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -10.216 0.029 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.694 -0.249 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.924 -1.602 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -8.036 -0.816 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.667 -2.475 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.917 -1.693 -5.452 1.00 0.00 H new ATOM 893 N ILE A 567 -12.342 -0.605 -6.937 1.00 0.00 N ATOM 894 CA ILE A 567 -13.718 -0.146 -7.199 1.00 0.00 C ATOM 895 C ILE A 567 -14.599 -1.282 -7.716 1.00 0.00 C ATOM 896 O ILE A 567 -15.793 -1.347 -7.416 1.00 0.00 O ATOM 897 CB ILE A 567 -13.765 1.004 -8.227 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.591 1.951 -8.023 1.00 0.00 C ATOM 899 CG2 ILE A 567 -15.076 1.769 -8.101 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.504 2.497 -6.620 1.00 0.00 C ATOM 0 H ILE A 567 -11.624 -0.092 -7.449 1.00 0.00 H new ATOM 0 HA ILE A 567 -14.096 0.213 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.698 0.575 -9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.665 1.427 -8.260 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.676 2.781 -8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -15.097 2.578 -8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.911 1.093 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -15.160 2.185 -7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.646 3.165 -6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.415 3.048 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.388 1.673 -5.916 1.00 0.00 H new ATOM 912 N LYS A 568 -13.996 -2.193 -8.464 1.00 0.00 N ATOM 913 CA LYS A 568 -14.753 -3.316 -8.991 1.00 0.00 C ATOM 914 C LYS A 568 -15.054 -4.325 -7.895 1.00 0.00 C ATOM 915 O LYS A 568 -16.136 -4.893 -7.856 1.00 0.00 O ATOM 916 CB LYS A 568 -14.056 -3.974 -10.185 1.00 0.00 C ATOM 917 CG LYS A 568 -12.649 -4.439 -9.899 1.00 0.00 C ATOM 918 CD LYS A 568 -11.985 -5.029 -11.134 1.00 0.00 C ATOM 919 CE LYS A 568 -11.918 -4.027 -12.278 1.00 0.00 C ATOM 920 NZ LYS A 568 -11.118 -4.536 -13.422 1.00 0.00 N ATOM 0 H LYS A 568 -13.008 -2.179 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.701 -2.925 -9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.649 -4.827 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -14.032 -3.266 -11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -12.056 -3.600 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.668 -5.186 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.977 -5.359 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.538 -5.911 -11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.928 -3.797 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -11.482 -3.095 -11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -11.237 -3.902 -14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -10.114 -4.571 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -11.443 -5.491 -13.675 1.00 0.00 H new ATOM 934 N TYR A 569 -14.110 -4.527 -6.981 1.00 0.00 N ATOM 935 CA TYR A 569 -14.288 -5.479 -5.894 1.00 0.00 C ATOM 936 C TYR A 569 -15.422 -5.027 -4.987 1.00 0.00 C ATOM 937 O TYR A 569 -16.232 -5.834 -4.549 1.00 0.00 O ATOM 938 CB TYR A 569 -12.995 -5.618 -5.087 1.00 0.00 C ATOM 939 CG TYR A 569 -13.046 -6.685 -4.009 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.567 -6.411 -2.751 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.560 -7.961 -4.250 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.601 -7.380 -1.765 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.586 -8.936 -3.271 1.00 0.00 C ATOM 944 CZ TYR A 569 -13.108 -8.641 -2.028 1.00 0.00 C ATOM 945 OH TYR A 569 -13.139 -9.608 -1.047 1.00 0.00 O ATOM 0 H TYR A 569 -13.213 -4.042 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.538 -6.451 -6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -12.177 -5.846 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.765 -4.659 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -13.952 -5.424 -2.539 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -12.153 -8.198 -5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -14.012 -7.150 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -12.200 -9.923 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 569 -12.755 -10.440 -1.395 1.00 0.00 H new ATOM 955 N LEU A 570 -15.477 -3.730 -4.726 1.00 0.00 N ATOM 956 CA LEU A 570 -16.502 -3.165 -3.858 1.00 0.00 C ATOM 957 C LEU A 570 -17.872 -3.300 -4.510 1.00 0.00 C ATOM 958 O LEU A 570 -18.882 -3.505 -3.839 1.00 0.00 O ATOM 959 CB LEU A 570 -16.199 -1.692 -3.581 1.00 0.00 C ATOM 960 CG LEU A 570 -14.752 -1.390 -3.182 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.573 0.087 -2.887 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.335 -2.227 -1.986 1.00 0.00 C ATOM 0 H LEU A 570 -14.822 -3.046 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.504 -3.710 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.442 -1.113 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.859 -1.345 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.109 -1.652 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.538 0.279 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.821 0.668 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.231 0.377 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.303 -1.995 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.986 -2.003 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.416 -3.285 -2.236 1.00 0.00 H new ATOM 974 N SER A 571 -17.888 -3.171 -5.825 1.00 0.00 N ATOM 975 CA SER A 571 -19.104 -3.321 -6.604 1.00 0.00 C ATOM 976 C SER A 571 -19.530 -4.790 -6.699 1.00 0.00 C ATOM 977 O SER A 571 -20.707 -5.118 -6.541 1.00 0.00 O ATOM 978 CB SER A 571 -18.874 -2.747 -8.000 1.00 0.00 C ATOM 979 OG SER A 571 -18.481 -1.385 -7.930 1.00 0.00 O ATOM 0 H SER A 571 -17.060 -2.960 -6.382 1.00 0.00 H new ATOM 0 HA SER A 571 -19.908 -2.779 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.106 -3.325 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.787 -2.836 -8.589 1.00 0.00 H new ATOM 0 HG SER A 571 -17.517 -1.331 -7.761 1.00 0.00 H new ATOM 985 N ARG A 572 -18.562 -5.663 -6.952 1.00 0.00 N ATOM 986 CA ARG A 572 -18.830 -7.078 -7.199 1.00 0.00 C ATOM 987 C ARG A 572 -19.029 -7.853 -5.899 1.00 0.00 C ATOM 988 O ARG A 572 -19.909 -8.709 -5.806 1.00 0.00 O ATOM 989 CB ARG A 572 -17.685 -7.684 -8.013 1.00 0.00 C ATOM 990 CG ARG A 572 -17.539 -7.057 -9.391 1.00 0.00 C ATOM 991 CD ARG A 572 -16.208 -7.402 -10.042 1.00 0.00 C ATOM 992 NE ARG A 572 -16.044 -6.727 -11.328 1.00 0.00 N ATOM 993 CZ ARG A 572 -15.231 -7.146 -12.296 1.00 0.00 C ATOM 994 NH1 ARG A 572 -14.553 -8.279 -12.159 1.00 0.00 N ATOM 995 NH2 ARG A 572 -15.106 -6.437 -13.410 1.00 0.00 N ATOM 0 H ARG A 572 -17.574 -5.414 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.758 -7.153 -7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.752 -7.562 -7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.852 -8.755 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -18.353 -7.397 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.630 -5.974 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.393 -7.119 -9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -16.142 -8.480 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.587 -5.880 -11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.653 -8.834 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -13.932 -8.595 -12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.632 -5.571 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -14.483 -6.758 -14.151 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.215 -7.557 -4.898 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.347 -8.204 -3.596 1.00 0.00 C ATOM 1011 C ASN A 573 -19.143 -7.299 -2.673 1.00 0.00 C ATOM 1012 O ASN A 573 -19.519 -6.196 -3.063 1.00 0.00 O ATOM 1013 CB ASN A 573 -16.980 -8.515 -2.964 1.00 0.00 C ATOM 1014 CG ASN A 573 -16.191 -9.589 -3.699 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -16.171 -9.526 -5.019 1.00 0.00 O flip ATOM 1016 ND2 ASN A 573 -15.563 -10.444 -3.076 1.00 0.00 N flip ATOM 0 H ASN A 573 -17.458 -6.876 -4.958 1.00 0.00 H new ATOM 0 HA ASN A 573 -18.863 -9.153 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -16.388 -7.600 -2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -17.131 -8.831 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.601 -10.463 -2.057 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.004 -11.134 -3.579 1.00 0.00 H new ATOM 1023 N VAL A 574 -19.407 -7.752 -1.460 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.172 -6.951 -0.519 1.00 0.00 C ATOM 1025 C VAL A 574 -19.260 -6.332 0.534 1.00 0.00 C ATOM 1026 O VAL A 574 -18.593 -7.044 1.289 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.268 -7.780 0.177 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -22.130 -6.891 1.060 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.119 -8.510 -0.850 1.00 0.00 C ATOM 0 H VAL A 574 -19.107 -8.660 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 574 -20.651 -6.158 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 574 -20.787 -8.525 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -22.899 -7.494 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.507 -6.420 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.603 -6.121 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -22.888 -9.090 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -22.592 -7.785 -1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -21.488 -9.179 -1.436 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.231 -5.007 0.570 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.431 -4.267 1.538 1.00 0.00 C ATOM 1041 C VAL A 575 -19.201 -3.032 2.001 1.00 0.00 C ATOM 1042 O VAL A 575 -19.695 -2.261 1.179 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.072 -3.816 0.948 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.242 -3.112 2.004 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.294 -4.989 0.371 1.00 0.00 C ATOM 0 H VAL A 575 -19.760 -4.415 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.233 -4.936 2.376 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.283 -3.120 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.291 -2.802 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.780 -2.235 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.058 -3.792 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.346 -4.633 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.102 -5.720 1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -16.876 -5.456 -0.424 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.306 -2.849 3.309 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.075 -1.741 3.866 1.00 0.00 C ATOM 1057 C HIS A 576 -19.242 -0.889 4.826 1.00 0.00 C ATOM 1058 O HIS A 576 -19.520 0.294 5.012 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.325 -2.275 4.580 1.00 0.00 C ATOM 1060 CG HIS A 576 -21.039 -3.211 5.722 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -20.727 -4.533 5.507 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -21.038 -2.970 7.056 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -20.546 -5.062 6.706 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -20.724 -4.155 7.674 1.00 0.00 N ATOM 0 H HIS A 576 -18.869 -3.452 4.006 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.375 -1.099 3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.902 -1.430 4.955 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -21.951 -2.791 3.852 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -21.245 -2.027 7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -20.287 -6.096 6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -20.642 -4.314 8.678 1.00 0.00 H new ATOM 1072 N SER A 577 -18.227 -1.489 5.429 1.00 0.00 N ATOM 1073 CA SER A 577 -17.411 -0.798 6.422 1.00 0.00 C ATOM 1074 C SER A 577 -16.402 0.142 5.768 1.00 0.00 C ATOM 1075 O SER A 577 -16.166 1.255 6.244 1.00 0.00 O ATOM 1076 CB SER A 577 -16.687 -1.825 7.286 1.00 0.00 C ATOM 1077 OG SER A 577 -17.611 -2.709 7.898 1.00 0.00 O ATOM 0 H SER A 577 -17.947 -2.453 5.250 1.00 0.00 H new ATOM 0 HA SER A 577 -18.070 -0.191 7.042 1.00 0.00 H new ATOM 0 HB2 SER A 577 -15.985 -2.392 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 577 -16.103 -1.315 8.052 1.00 0.00 H new ATOM 0 HG SER A 577 -17.126 -3.361 8.446 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.833 -0.306 4.663 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.812 0.467 3.973 1.00 0.00 C ATOM 1085 C VAL A 578 -15.216 0.793 2.541 1.00 0.00 C ATOM 1086 O VAL A 578 -15.820 -0.023 1.848 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.436 -0.247 4.002 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.810 -0.137 5.382 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.558 -1.712 3.613 1.00 0.00 C ATOM 0 H VAL A 578 -16.059 -1.199 4.224 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.716 1.408 4.514 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.796 0.249 3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.845 -0.643 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.669 0.914 5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.466 -0.602 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.574 -2.180 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.224 -2.220 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.964 -1.788 2.604 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.913 2.014 2.120 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.197 2.459 0.766 1.00 0.00 C ATOM 1101 C ARG A 579 -13.872 2.677 0.047 1.00 0.00 C ATOM 1102 O ARG A 579 -12.818 2.558 0.667 1.00 0.00 O ATOM 1103 CB ARG A 579 -16.010 3.761 0.774 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.150 3.782 1.784 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.113 2.620 1.587 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.812 2.680 0.303 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.364 1.621 -0.289 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -19.241 0.416 0.258 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -20.025 1.763 -1.432 1.00 0.00 N ATOM 0 H ARG A 579 -14.466 2.719 2.706 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.789 1.702 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.339 4.594 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.420 3.926 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.740 3.745 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.694 4.722 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.563 1.682 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -18.845 2.618 2.395 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.881 3.583 -0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -18.725 0.302 1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -19.663 -0.395 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.112 2.685 -1.860 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -20.446 0.950 -1.882 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.917 2.995 -1.245 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.706 3.197 -2.042 1.00 0.00 C ATOM 1125 C ARG A 580 -11.746 4.202 -1.393 1.00 0.00 C ATOM 1126 O ARG A 580 -10.532 4.079 -1.537 1.00 0.00 O ATOM 1127 CB ARG A 580 -13.043 3.645 -3.469 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.777 4.971 -3.559 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.282 4.783 -3.579 1.00 0.00 C ATOM 1130 NE ARG A 580 -15.996 6.055 -3.607 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.323 6.161 -3.644 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -18.080 5.070 -3.685 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -17.893 7.357 -3.647 1.00 0.00 N ATOM 0 H ARG A 580 -14.785 3.119 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.203 2.231 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -12.118 3.717 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.652 2.875 -3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.500 5.598 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.465 5.499 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.561 4.192 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.587 4.216 -2.699 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.446 6.914 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.645 4.147 -3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -19.096 5.155 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.315 8.197 -3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -18.909 7.437 -3.675 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.289 5.197 -0.684 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.492 6.199 0.027 1.00 0.00 C ATOM 1149 C GLU A 581 -10.573 5.597 1.092 1.00 0.00 C ATOM 1150 O GLU A 581 -9.517 6.154 1.390 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.429 7.224 0.669 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.370 6.623 1.701 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.536 7.530 2.030 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.494 7.581 1.234 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -14.504 8.192 3.087 1.00 0.00 O ATOM 0 H GLU A 581 -13.296 5.329 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.843 6.675 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.832 8.003 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.018 7.705 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.750 5.671 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.813 6.410 2.613 1.00 0.00 H new ATOM 1162 N HIS A 582 -10.973 4.466 1.653 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.212 3.815 2.716 1.00 0.00 C ATOM 1164 C HIS A 582 -8.986 3.111 2.152 1.00 0.00 C ATOM 1165 O HIS A 582 -8.097 2.684 2.886 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.098 2.834 3.483 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.115 3.514 4.346 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.456 3.473 4.056 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -11.929 4.239 5.472 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.050 4.172 5.008 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.164 4.657 5.888 1.00 0.00 N ATOM 0 H HIS A 582 -11.827 3.974 1.389 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.868 4.582 3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.609 2.183 2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.470 2.196 4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -10.985 4.449 5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.116 4.332 5.069 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.370 5.227 6.708 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.951 3.002 0.838 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.861 2.330 0.159 1.00 0.00 C ATOM 1181 C PHE A 583 -6.972 3.364 -0.514 1.00 0.00 C ATOM 1182 O PHE A 583 -7.447 4.202 -1.284 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.400 1.328 -0.864 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.390 0.360 -0.281 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.978 -0.665 0.549 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.734 0.482 -0.561 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.891 -1.547 1.087 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.655 -0.396 -0.030 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.233 -1.413 0.796 1.00 0.00 C ATOM 0 H PHE A 583 -9.670 3.373 0.217 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.271 1.775 0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.872 1.872 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.566 0.771 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.929 -0.777 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -11.071 1.279 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.556 -2.343 1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.704 -0.286 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.950 -2.104 1.215 1.00 0.00 H new ATOM 1199 N SER A 584 -5.686 3.317 -0.218 1.00 0.00 N ATOM 1200 CA SER A 584 -4.748 4.294 -0.731 1.00 0.00 C ATOM 1201 C SER A 584 -3.502 3.575 -1.218 1.00 0.00 C ATOM 1202 O SER A 584 -2.971 2.707 -0.525 1.00 0.00 O ATOM 1203 CB SER A 584 -4.388 5.309 0.359 1.00 0.00 C ATOM 1204 OG SER A 584 -3.404 6.227 -0.090 1.00 0.00 O ATOM 0 H SER A 584 -5.266 2.606 0.380 1.00 0.00 H new ATOM 0 HA SER A 584 -5.202 4.835 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 584 -5.283 5.853 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 584 -4.021 4.783 1.241 1.00 0.00 H new ATOM 0 HG SER A 584 -3.197 6.862 0.627 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.037 3.925 -2.403 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.881 3.263 -2.980 1.00 0.00 C ATOM 1212 C PHE A 585 -0.639 4.136 -2.894 1.00 0.00 C ATOM 1213 O PHE A 585 0.452 3.725 -3.294 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.164 2.862 -4.424 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.119 1.711 -4.525 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.722 0.452 -4.125 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.404 1.882 -5.011 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.578 -0.619 -4.204 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.270 0.807 -5.092 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.852 -0.447 -4.687 1.00 0.00 C ATOM 0 H PHE A 585 -3.440 4.661 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.687 2.361 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.573 3.717 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.227 2.596 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.722 0.306 -3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.732 2.861 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -3.249 -1.597 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.272 0.947 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.525 -1.289 -4.750 1.00 0.00 H new ATOM 1230 N SER A 586 -0.812 5.341 -2.381 1.00 0.00 N ATOM 1231 CA SER A 586 0.304 6.238 -2.134 1.00 0.00 C ATOM 1232 C SER A 586 1.289 5.628 -1.129 1.00 0.00 C ATOM 1233 O SER A 586 0.939 5.387 0.031 1.00 0.00 O ATOM 1234 CB SER A 586 -0.235 7.566 -1.609 1.00 0.00 C ATOM 1235 OG SER A 586 -1.202 8.103 -2.498 1.00 0.00 O ATOM 0 H SER A 586 -1.722 5.724 -2.125 1.00 0.00 H new ATOM 0 HA SER A 586 0.843 6.401 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 586 -0.680 7.420 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.585 8.273 -1.486 1.00 0.00 H new ATOM 0 HG SER A 586 -1.536 8.953 -2.143 1.00 0.00 H new ATOM 1241 N PRO A 587 2.541 5.368 -1.559 1.00 0.00 N ATOM 1242 CA PRO A 587 3.573 4.775 -0.701 1.00 0.00 C ATOM 1243 C PRO A 587 4.166 5.788 0.269 1.00 0.00 C ATOM 1244 O PRO A 587 5.158 5.517 0.939 1.00 0.00 O ATOM 1245 CB PRO A 587 4.630 4.322 -1.702 1.00 0.00 C ATOM 1246 CG PRO A 587 4.528 5.323 -2.795 1.00 0.00 C ATOM 1247 CD PRO A 587 3.056 5.620 -2.922 1.00 0.00 C ATOM 0 HA PRO A 587 3.180 3.974 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.625 4.314 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.434 3.313 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 587 5.093 6.225 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.932 4.930 -3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.878 6.649 -3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.577 4.975 -3.659 1.00 0.00 H new ATOM 1255 N ARG A 588 3.547 6.956 0.344 1.00 0.00 N ATOM 1256 CA ARG A 588 3.942 7.977 1.293 1.00 0.00 C ATOM 1257 C ARG A 588 3.036 7.891 2.508 1.00 0.00 C ATOM 1258 O ARG A 588 3.156 8.664 3.455 1.00 0.00 O ATOM 1259 CB ARG A 588 3.858 9.364 0.653 1.00 0.00 C ATOM 1260 CG ARG A 588 4.732 9.515 -0.582 1.00 0.00 C ATOM 1261 CD ARG A 588 4.616 10.902 -1.186 1.00 0.00 C ATOM 1262 NE ARG A 588 5.077 11.946 -0.274 1.00 0.00 N ATOM 1263 CZ ARG A 588 4.859 13.246 -0.462 1.00 0.00 C ATOM 1264 NH1 ARG A 588 4.166 13.662 -1.514 1.00 0.00 N ATOM 1265 NH2 ARG A 588 5.333 14.128 0.405 1.00 0.00 N ATOM 0 H ARG A 588 2.760 7.219 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 588 4.976 7.815 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.822 9.569 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 588 4.150 10.113 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.771 9.319 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 588 4.445 8.770 -1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 588 5.198 10.944 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 588 3.577 11.092 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 588 5.597 11.662 0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 588 3.798 12.985 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 588 4.001 14.659 -1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 588 5.865 13.811 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 588 5.167 15.124 0.262 1.00 0.00 H new ATOM 1279 N MET A 589 2.127 6.927 2.450 1.00 0.00 N ATOM 1280 CA MET A 589 1.213 6.656 3.545 1.00 0.00 C ATOM 1281 C MET A 589 1.741 5.512 4.402 1.00 0.00 C ATOM 1282 O MET A 589 1.625 4.343 4.025 1.00 0.00 O ATOM 1283 CB MET A 589 -0.171 6.294 3.001 1.00 0.00 C ATOM 1284 CG MET A 589 -1.228 6.181 4.074 1.00 0.00 C ATOM 1285 SD MET A 589 -1.504 7.728 4.952 1.00 0.00 S ATOM 1286 CE MET A 589 -2.109 8.766 3.624 1.00 0.00 C ATOM 0 H MET A 589 2.005 6.314 1.644 1.00 0.00 H new ATOM 0 HA MET A 589 1.133 7.553 4.158 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.478 7.050 2.278 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.106 5.347 2.465 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.164 5.854 3.622 1.00 0.00 H new ATOM 0 HG3 MET A 589 -0.933 5.412 4.788 1.00 0.00 H new ATOM 0 HE1 MET A 589 -2.634 9.624 4.043 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.269 9.113 3.022 1.00 0.00 H new ATOM 0 HE3 MET A 589 -2.793 8.193 2.997 1.00 0.00 H new ATOM 1296 N PRO A 590 2.333 5.827 5.559 1.00 0.00 N ATOM 1297 CA PRO A 590 2.901 4.822 6.450 1.00 0.00 C ATOM 1298 C PRO A 590 1.838 4.149 7.308 1.00 0.00 C ATOM 1299 O PRO A 590 1.700 4.442 8.498 1.00 0.00 O ATOM 1300 CB PRO A 590 3.863 5.632 7.315 1.00 0.00 C ATOM 1301 CG PRO A 590 3.267 6.999 7.373 1.00 0.00 C ATOM 1302 CD PRO A 590 2.498 7.194 6.091 1.00 0.00 C ATOM 0 HA PRO A 590 3.380 4.007 5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.958 5.200 8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.862 5.655 6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 590 2.610 7.098 8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 590 4.045 7.756 7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 590 1.534 7.670 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 590 3.042 7.831 5.393 1.00 0.00 H new ATOM 1310 N VAL A 591 1.058 3.270 6.696 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.025 2.624 7.413 1.00 0.00 C ATOM 1312 C VAL A 591 0.218 1.140 7.681 1.00 0.00 C ATOM 1313 O VAL A 591 0.499 0.780 8.824 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.374 2.855 6.711 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.468 2.024 7.352 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -1.722 4.326 6.792 1.00 0.00 C ATOM 0 H VAL A 591 1.154 2.992 5.719 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.061 3.099 8.393 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.291 2.549 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.412 2.205 6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.212 0.967 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.568 2.301 8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -2.677 4.502 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -1.794 4.626 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -0.945 4.911 6.300 1.00 0.00 H new ATOM 1326 N GLY A 592 0.144 0.266 6.674 1.00 0.00 N ATOM 1327 CA GLY A 592 0.182 -1.157 6.957 1.00 0.00 C ATOM 1328 C GLY A 592 1.587 -1.689 7.079 1.00 0.00 C ATOM 1329 O GLY A 592 2.220 -1.568 8.131 1.00 0.00 O ATOM 0 H GLY A 592 0.060 0.514 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.358 -1.354 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.338 -1.695 6.164 1.00 0.00 H new ATOM 1333 N ASP A 593 2.083 -2.277 6.006 1.00 0.00 N ATOM 1334 CA ASP A 593 3.404 -2.858 6.016 1.00 0.00 C ATOM 1335 C ASP A 593 4.252 -2.307 4.887 1.00 0.00 C ATOM 1336 O ASP A 593 3.777 -2.083 3.782 1.00 0.00 O ATOM 1337 CB ASP A 593 3.330 -4.385 5.944 1.00 0.00 C ATOM 1338 CG ASP A 593 2.818 -5.000 7.232 1.00 0.00 C ATOM 1339 OD1 ASP A 593 3.574 -5.015 8.229 1.00 0.00 O ATOM 1340 OD2 ASP A 593 1.659 -5.466 7.260 1.00 0.00 O ATOM 0 H ASP A 593 1.588 -2.363 5.119 1.00 0.00 H new ATOM 0 HA ASP A 593 3.880 -2.585 6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.677 -4.676 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.320 -4.784 5.722 1.00 0.00 H new ATOM 1345 N PHE A 594 5.499 -2.072 5.213 1.00 0.00 N ATOM 1346 CA PHE A 594 6.478 -1.563 4.257 1.00 0.00 C ATOM 1347 C PHE A 594 7.659 -2.504 4.128 1.00 0.00 C ATOM 1348 O PHE A 594 8.215 -2.958 5.129 1.00 0.00 O ATOM 1349 CB PHE A 594 6.964 -0.175 4.667 1.00 0.00 C ATOM 1350 CG PHE A 594 6.075 0.946 4.207 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.802 1.108 4.730 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.519 1.839 3.247 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.991 2.141 4.304 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.713 2.875 2.817 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.447 3.026 3.347 1.00 0.00 C ATOM 0 H PHE A 594 5.874 -2.226 6.149 1.00 0.00 H new ATOM 0 HA PHE A 594 5.984 -1.493 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 594 7.047 -0.137 5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.965 -0.019 4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.440 0.419 5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.508 1.724 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 594 3.001 2.257 4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 594 6.072 3.565 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.814 3.835 3.014 1.00 0.00 H new ATOM 1365 N PHE A 595 8.029 -2.805 2.894 1.00 0.00 N ATOM 1366 CA PHE A 595 9.156 -3.677 2.626 1.00 0.00 C ATOM 1367 C PHE A 595 10.100 -3.024 1.628 1.00 0.00 C ATOM 1368 O PHE A 595 9.685 -2.212 0.801 1.00 0.00 O ATOM 1369 CB PHE A 595 8.664 -5.019 2.073 1.00 0.00 C ATOM 1370 CG PHE A 595 7.519 -5.599 2.853 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.214 -5.262 2.534 1.00 0.00 C ATOM 1372 CD2 PHE A 595 7.744 -6.462 3.912 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.159 -5.773 3.253 1.00 0.00 C ATOM 1374 CE2 PHE A 595 6.685 -6.976 4.638 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.391 -6.627 4.305 1.00 0.00 C ATOM 0 H PHE A 595 7.560 -2.455 2.058 1.00 0.00 H new ATOM 0 HA PHE A 595 9.692 -3.851 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.357 -4.886 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.491 -5.729 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.023 -4.590 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 595 8.755 -6.736 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.147 -5.503 2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 595 6.869 -7.648 5.463 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.562 -7.025 4.871 1.00 0.00 H new ATOM 1385 N GLU A 596 11.357 -3.396 1.710 1.00 0.00 N ATOM 1386 CA GLU A 596 12.369 -2.889 0.806 1.00 0.00 C ATOM 1387 C GLU A 596 13.153 -4.058 0.238 1.00 0.00 C ATOM 1388 O GLU A 596 13.674 -4.881 0.996 1.00 0.00 O ATOM 1389 CB GLU A 596 13.306 -1.939 1.557 1.00 0.00 C ATOM 1390 CG GLU A 596 14.532 -1.527 0.758 1.00 0.00 C ATOM 1391 CD GLU A 596 15.501 -0.686 1.559 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.192 -1.235 2.444 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.593 0.529 1.302 1.00 0.00 O ATOM 0 H GLU A 596 11.708 -4.057 2.403 1.00 0.00 H new ATOM 0 HA GLU A 596 11.896 -2.339 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.751 -1.045 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.630 -2.418 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.044 -2.421 0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.215 -0.968 -0.122 1.00 0.00 H new ATOM 1400 N GLU A 597 13.230 -4.162 -1.081 1.00 0.00 N ATOM 1401 CA GLU A 597 13.938 -5.259 -1.708 1.00 0.00 C ATOM 1402 C GLU A 597 15.429 -5.021 -1.572 1.00 0.00 C ATOM 1403 O GLU A 597 15.959 -4.008 -2.032 1.00 0.00 O ATOM 1404 CB GLU A 597 13.547 -5.386 -3.182 1.00 0.00 C ATOM 1405 CG GLU A 597 14.378 -6.404 -3.941 1.00 0.00 C ATOM 1406 CD GLU A 597 13.842 -6.678 -5.326 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.144 -5.894 -6.250 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.128 -7.688 -5.507 1.00 0.00 O ATOM 0 H GLU A 597 12.810 -3.499 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 597 13.669 -6.192 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.495 -5.665 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.650 -4.413 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.404 -6.045 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.408 -7.336 -3.377 1.00 0.00 H new ATOM 1415 N ARG A 598 16.098 -5.956 -0.933 1.00 0.00 N ATOM 1416 CA ARG A 598 17.471 -5.778 -0.530 1.00 0.00 C ATOM 1417 C ARG A 598 18.284 -7.006 -0.891 1.00 0.00 C ATOM 1418 O ARG A 598 17.734 -8.098 -1.058 1.00 0.00 O ATOM 1419 CB ARG A 598 17.501 -5.529 0.982 1.00 0.00 C ATOM 1420 CG ARG A 598 18.866 -5.208 1.559 1.00 0.00 C ATOM 1421 CD ARG A 598 18.772 -4.932 3.049 1.00 0.00 C ATOM 1422 NE ARG A 598 19.995 -4.336 3.580 1.00 0.00 N ATOM 1423 CZ ARG A 598 20.023 -3.499 4.615 1.00 0.00 C ATOM 1424 NH1 ARG A 598 18.897 -3.155 5.227 1.00 0.00 N ATOM 1425 NH2 ARG A 598 21.177 -3.002 5.036 1.00 0.00 N ATOM 0 H ARG A 598 15.702 -6.861 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 598 17.909 -4.925 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 598 16.825 -4.705 1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.110 -6.412 1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.546 -6.041 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.286 -4.340 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 598 17.932 -4.264 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.565 -5.863 3.577 1.00 0.00 H new ATOM 0 HE ARG A 598 20.879 -4.575 3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 598 18.006 -3.532 4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 598 18.923 -2.513 6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 598 22.045 -3.261 4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 598 21.197 -2.361 5.829 1.00 0.00 H new ATOM 1439 N ASP A 599 19.588 -6.835 -1.002 1.00 0.00 N ATOM 1440 CA ASP A 599 20.484 -7.943 -1.263 1.00 0.00 C ATOM 1441 C ASP A 599 21.166 -8.396 0.012 1.00 0.00 C ATOM 1442 O ASP A 599 21.639 -7.588 0.811 1.00 0.00 O ATOM 1443 CB ASP A 599 21.520 -7.570 -2.332 1.00 0.00 C ATOM 1444 CG ASP A 599 22.313 -6.325 -1.987 1.00 0.00 C ATOM 1445 OD1 ASP A 599 21.792 -5.207 -2.197 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.461 -6.455 -1.520 1.00 0.00 O ATOM 0 H ASP A 599 20.052 -5.931 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 599 19.890 -8.774 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.208 -8.405 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.011 -7.417 -3.284 1.00 0.00 H new ATOM 1451 N THR A 600 21.169 -9.697 0.205 1.00 0.00 N ATOM 1452 CA THR A 600 21.759 -10.313 1.375 1.00 0.00 C ATOM 1453 C THR A 600 22.721 -11.402 0.933 1.00 0.00 C ATOM 1454 O THR A 600 22.700 -11.808 -0.229 1.00 0.00 O ATOM 1455 CB THR A 600 20.662 -10.930 2.265 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.152 -12.110 1.647 1.00 0.00 O ATOM 1457 CG2 THR A 600 19.519 -9.955 2.460 1.00 0.00 C ATOM 0 H THR A 600 20.759 -10.363 -0.450 1.00 0.00 H new ATOM 0 HA THR A 600 22.292 -9.554 1.947 1.00 0.00 H new ATOM 0 HB THR A 600 21.102 -11.168 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 600 19.875 -11.905 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 600 18.756 -10.411 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 600 19.891 -9.049 2.938 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.086 -9.703 1.492 1.00 0.00 H new ATOM 1465 N PRO A 601 23.588 -11.871 1.833 1.00 0.00 N ATOM 1466 CA PRO A 601 24.509 -12.974 1.542 1.00 0.00 C ATOM 1467 C PRO A 601 23.786 -14.287 1.222 1.00 0.00 C ATOM 1468 O PRO A 601 24.400 -15.240 0.742 1.00 0.00 O ATOM 1469 CB PRO A 601 25.338 -13.097 2.823 1.00 0.00 C ATOM 1470 CG PRO A 601 24.519 -12.444 3.880 1.00 0.00 C ATOM 1471 CD PRO A 601 23.774 -11.344 3.194 1.00 0.00 C ATOM 0 HA PRO A 601 25.109 -12.776 0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 601 25.535 -14.141 3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.305 -12.607 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 601 23.832 -13.155 4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.150 -12.051 4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 601 22.821 -11.137 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.340 -10.413 3.193 1.00 0.00 H new ATOM 1479 N GLU A 602 22.484 -14.339 1.495 1.00 0.00 N ATOM 1480 CA GLU A 602 21.679 -15.492 1.108 1.00 0.00 C ATOM 1481 C GLU A 602 20.944 -15.218 -0.207 1.00 0.00 C ATOM 1482 O GLU A 602 20.471 -16.140 -0.875 1.00 0.00 O ATOM 1483 CB GLU A 602 20.682 -15.857 2.217 1.00 0.00 C ATOM 1484 CG GLU A 602 19.491 -14.923 2.313 1.00 0.00 C ATOM 1485 CD GLU A 602 18.549 -15.288 3.438 1.00 0.00 C ATOM 1486 OE1 GLU A 602 17.748 -16.228 3.267 1.00 0.00 O ATOM 1487 OE2 GLU A 602 18.594 -14.622 4.494 1.00 0.00 O ATOM 0 H GLU A 602 21.969 -13.603 1.978 1.00 0.00 H new ATOM 0 HA GLU A 602 22.348 -16.340 0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 602 20.321 -16.871 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.205 -15.861 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 602 19.846 -13.903 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.946 -14.939 1.369 1.00 0.00 H new ATOM 1494 N GLY A 603 20.853 -13.945 -0.569 1.00 0.00 N ATOM 1495 CA GLY A 603 20.195 -13.594 -1.803 1.00 0.00 C ATOM 1496 C GLY A 603 19.291 -12.393 -1.692 1.00 0.00 C ATOM 1497 O GLY A 603 19.378 -11.611 -0.748 1.00 0.00 O ATOM 0 H GLY A 603 21.221 -13.159 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 603 20.951 -13.399 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.610 -14.447 -2.147 1.00 0.00 H new ATOM 1501 N LEU A 604 18.428 -12.251 -2.674 1.00 0.00 N ATOM 1502 CA LEU A 604 17.480 -11.154 -2.716 1.00 0.00 C ATOM 1503 C LEU A 604 16.215 -11.512 -1.967 1.00 0.00 C ATOM 1504 O LEU A 604 15.508 -12.457 -2.319 1.00 0.00 O ATOM 1505 CB LEU A 604 17.152 -10.782 -4.159 1.00 0.00 C ATOM 1506 CG LEU A 604 18.296 -10.120 -4.915 1.00 0.00 C ATOM 1507 CD1 LEU A 604 18.022 -10.128 -6.408 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.506 -8.695 -4.423 1.00 0.00 C ATOM 0 H LEU A 604 18.362 -12.891 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 604 17.937 -10.292 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 604 16.853 -11.683 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.294 -10.110 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 604 19.206 -10.689 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.850 -9.651 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.918 -11.157 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 604 17.101 -9.582 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.327 -8.237 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.596 -8.117 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.746 -8.709 -3.360 1.00 0.00 H new ATOM 1520 N GLN A 605 15.955 -10.758 -0.924 1.00 0.00 N ATOM 1521 CA GLN A 605 14.766 -10.964 -0.119 1.00 0.00 C ATOM 1522 C GLN A 605 14.137 -9.611 0.160 1.00 0.00 C ATOM 1523 O GLN A 605 14.833 -8.591 0.156 1.00 0.00 O ATOM 1524 CB GLN A 605 15.089 -11.681 1.182 1.00 0.00 C ATOM 1525 CG GLN A 605 15.957 -10.875 2.119 1.00 0.00 C ATOM 1526 CD GLN A 605 16.478 -11.717 3.248 1.00 0.00 C ATOM 1527 OE1 GLN A 605 15.881 -11.795 4.323 1.00 0.00 O ATOM 1528 NE2 GLN A 605 17.585 -12.376 2.993 1.00 0.00 N ATOM 0 H GLN A 605 16.551 -9.993 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 605 14.069 -11.598 -0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.158 -11.932 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 605 15.591 -12.621 0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.794 -10.449 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.383 -10.040 2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 605 18.040 -12.276 2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 605 17.989 -12.988 3.702 1.00 0.00 H new ATOM 1537 N TRP A 606 12.836 -9.579 0.383 1.00 0.00 N ATOM 1538 CA TRP A 606 12.165 -8.330 0.674 1.00 0.00 C ATOM 1539 C TRP A 606 12.239 -8.093 2.170 1.00 0.00 C ATOM 1540 O TRP A 606 11.612 -8.813 2.947 1.00 0.00 O ATOM 1541 CB TRP A 606 10.704 -8.370 0.216 1.00 0.00 C ATOM 1542 CG TRP A 606 10.518 -8.070 -1.240 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.485 -8.958 -2.275 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.335 -6.777 -1.817 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.298 -8.290 -3.464 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.205 -6.948 -3.207 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.274 -5.491 -1.288 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.015 -5.872 -4.074 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.087 -4.430 -2.144 1.00 0.00 C ATOM 1550 CH2 TRP A 606 9.961 -4.621 -3.522 1.00 0.00 C ATOM 0 H TRP A 606 12.228 -10.398 0.368 1.00 0.00 H new ATOM 0 HA TRP A 606 12.654 -7.518 0.135 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.293 -9.357 0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.130 -7.652 0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 606 10.590 -10.028 -2.176 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.238 -8.723 -4.385 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.372 -5.329 -0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 9.914 -6.020 -5.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.037 -3.429 -1.742 1.00 0.00 H new ATOM 0 HH2 TRP A 606 9.818 -3.765 -4.164 1.00 0.00 H new ATOM 1561 N VAL A 607 13.010 -7.102 2.581 1.00 0.00 N ATOM 1562 CA VAL A 607 13.212 -6.852 3.995 1.00 0.00 C ATOM 1563 C VAL A 607 12.201 -5.843 4.504 1.00 0.00 C ATOM 1564 O VAL A 607 12.035 -4.765 3.938 1.00 0.00 O ATOM 1565 CB VAL A 607 14.640 -6.331 4.275 1.00 0.00 C ATOM 1566 CG1 VAL A 607 14.856 -6.111 5.766 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.681 -7.294 3.719 1.00 0.00 C ATOM 0 H VAL A 607 13.503 -6.461 1.959 1.00 0.00 H new ATOM 0 HA VAL A 607 13.078 -7.799 4.518 1.00 0.00 H new ATOM 0 HB VAL A 607 14.755 -5.371 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 607 15.868 -5.744 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.138 -5.378 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.717 -7.053 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.680 -6.910 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.563 -8.270 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.547 -7.393 2.642 1.00 0.00 H new ATOM 1577 N GLN A 608 11.517 -6.222 5.564 1.00 0.00 N ATOM 1578 CA GLN A 608 10.471 -5.408 6.142 1.00 0.00 C ATOM 1579 C GLN A 608 11.081 -4.219 6.870 1.00 0.00 C ATOM 1580 O GLN A 608 12.062 -4.357 7.606 1.00 0.00 O ATOM 1581 CB GLN A 608 9.638 -6.241 7.105 1.00 0.00 C ATOM 1582 CG GLN A 608 8.407 -5.518 7.613 1.00 0.00 C ATOM 1583 CD GLN A 608 7.527 -6.415 8.445 1.00 0.00 C ATOM 1584 OE1 GLN A 608 8.007 -7.322 9.124 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.231 -6.185 8.388 1.00 0.00 N ATOM 0 H GLN A 608 11.672 -7.106 6.049 1.00 0.00 H new ATOM 0 HA GLN A 608 9.825 -5.039 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.331 -7.161 6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.257 -6.530 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.712 -4.657 8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.837 -5.135 6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 608 5.873 -5.422 7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.585 -6.769 8.919 1.00 0.00 H new ATOM 1594 N LEU A 609 10.500 -3.055 6.649 1.00 0.00 N ATOM 1595 CA LEU A 609 10.985 -1.822 7.234 1.00 0.00 C ATOM 1596 C LEU A 609 10.201 -1.543 8.503 1.00 0.00 C ATOM 1597 O LEU A 609 9.004 -1.836 8.561 1.00 0.00 O ATOM 1598 CB LEU A 609 10.781 -0.667 6.248 1.00 0.00 C ATOM 1599 CG LEU A 609 11.483 -0.823 4.898 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.933 0.179 3.894 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.980 -0.634 5.061 1.00 0.00 C ATOM 0 H LEU A 609 9.677 -2.939 6.058 1.00 0.00 H new ATOM 0 HA LEU A 609 12.047 -1.915 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.712 -0.548 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 609 11.131 0.253 6.716 1.00 0.00 H new ATOM 0 HG LEU A 609 11.294 -1.829 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.443 0.054 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.865 0.010 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 609 11.097 1.191 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.469 -0.747 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 609 13.180 0.363 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.368 -1.381 5.753 1.00 0.00 H new ATOM 1613 N SER A 610 10.841 -0.999 9.527 1.00 0.00 N ATOM 1614 CA SER A 610 10.165 -0.563 10.722 1.00 0.00 C ATOM 1615 C SER A 610 9.501 0.770 10.446 1.00 0.00 C ATOM 1616 O SER A 610 9.824 1.423 9.451 1.00 0.00 O ATOM 1617 CB SER A 610 11.181 -0.432 11.854 1.00 0.00 C ATOM 1618 OG SER A 610 11.974 -1.603 11.962 1.00 0.00 O ATOM 0 H SER A 610 11.850 -0.850 9.544 1.00 0.00 H new ATOM 0 HA SER A 610 9.405 -1.287 11.017 1.00 0.00 H new ATOM 0 HB2 SER A 610 11.822 0.431 11.674 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.661 -0.252 12.795 1.00 0.00 H new ATOM 0 HG SER A 610 12.619 -1.495 12.692 1.00 0.00 H new ATOM 1624 N ALA A 611 8.580 1.173 11.305 1.00 0.00 N ATOM 1625 CA ALA A 611 7.859 2.423 11.131 1.00 0.00 C ATOM 1626 C ALA A 611 8.809 3.599 10.927 1.00 0.00 C ATOM 1627 O ALA A 611 8.496 4.532 10.196 1.00 0.00 O ATOM 1628 CB ALA A 611 6.958 2.674 12.328 1.00 0.00 C ATOM 0 H ALA A 611 8.312 0.647 12.137 1.00 0.00 H new ATOM 0 HA ALA A 611 7.249 2.335 10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.422 3.613 12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 611 6.242 1.857 12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.563 2.732 13.233 1.00 0.00 H new ATOM 1634 N GLU A 612 9.960 3.561 11.588 1.00 0.00 N ATOM 1635 CA GLU A 612 10.926 4.653 11.489 1.00 0.00 C ATOM 1636 C GLU A 612 11.736 4.578 10.190 1.00 0.00 C ATOM 1637 O GLU A 612 12.247 5.590 9.710 1.00 0.00 O ATOM 1638 CB GLU A 612 11.858 4.648 12.698 1.00 0.00 C ATOM 1639 CG GLU A 612 11.143 4.949 14.003 1.00 0.00 C ATOM 1640 CD GLU A 612 10.447 6.292 13.985 1.00 0.00 C ATOM 1641 OE1 GLU A 612 11.128 7.320 14.181 1.00 0.00 O ATOM 1642 OE2 GLU A 612 9.219 6.327 13.767 1.00 0.00 O ATOM 0 H GLU A 612 10.248 2.793 12.194 1.00 0.00 H new ATOM 0 HA GLU A 612 10.367 5.588 11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.342 3.674 12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.646 5.385 12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.411 4.166 14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 612 11.863 4.927 14.821 1.00 0.00 H new ATOM 1649 N GLU A 613 11.837 3.383 9.615 1.00 0.00 N ATOM 1650 CA GLU A 613 12.552 3.193 8.357 1.00 0.00 C ATOM 1651 C GLU A 613 11.678 3.608 7.184 1.00 0.00 C ATOM 1652 O GLU A 613 12.174 4.068 6.153 1.00 0.00 O ATOM 1653 CB GLU A 613 12.950 1.730 8.186 1.00 0.00 C ATOM 1654 CG GLU A 613 13.973 1.244 9.194 1.00 0.00 C ATOM 1655 CD GLU A 613 15.314 1.915 9.015 1.00 0.00 C ATOM 1656 OE1 GLU A 613 16.069 1.502 8.113 1.00 0.00 O ATOM 1657 OE2 GLU A 613 15.613 2.867 9.763 1.00 0.00 O ATOM 0 H GLU A 613 11.432 2.530 10.001 1.00 0.00 H new ATOM 0 HA GLU A 613 13.448 3.813 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 613 12.057 1.110 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.350 1.589 7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 613 13.605 1.434 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 613 14.093 0.165 9.096 1.00 0.00 H new ATOM 1664 N ILE A 614 10.376 3.420 7.363 1.00 0.00 N ATOM 1665 CA ILE A 614 9.377 3.724 6.344 1.00 0.00 C ATOM 1666 C ILE A 614 9.566 5.116 5.711 1.00 0.00 C ATOM 1667 O ILE A 614 9.773 5.213 4.502 1.00 0.00 O ATOM 1668 CB ILE A 614 7.956 3.616 6.944 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.605 2.155 7.227 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.930 4.263 6.032 1.00 0.00 C ATOM 1671 CD1 ILE A 614 6.229 1.964 7.828 1.00 0.00 C ATOM 0 H ILE A 614 9.980 3.049 8.227 1.00 0.00 H new ATOM 0 HA ILE A 614 9.508 2.989 5.550 1.00 0.00 H new ATOM 0 HB ILE A 614 7.940 4.157 7.890 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.667 1.589 6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 614 8.349 1.737 7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.939 4.173 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 614 7.174 5.317 5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.939 3.764 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 614 6.052 0.902 8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 614 6.168 2.501 8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.475 2.351 7.142 1.00 0.00 H new ATOM 1683 N PRO A 615 9.537 6.205 6.511 1.00 0.00 N ATOM 1684 CA PRO A 615 9.648 7.573 5.989 1.00 0.00 C ATOM 1685 C PRO A 615 10.960 7.820 5.264 1.00 0.00 C ATOM 1686 O PRO A 615 11.012 8.605 4.320 1.00 0.00 O ATOM 1687 CB PRO A 615 9.552 8.456 7.236 1.00 0.00 C ATOM 1688 CG PRO A 615 9.873 7.551 8.367 1.00 0.00 C ATOM 1689 CD PRO A 615 9.370 6.205 7.968 1.00 0.00 C ATOM 0 HA PRO A 615 8.874 7.778 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 615 10.253 9.290 7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.555 8.884 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.946 7.527 8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.395 7.890 9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.942 5.405 8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.328 6.063 8.254 1.00 0.00 H new ATOM 1697 N SER A 616 12.010 7.125 5.682 1.00 0.00 N ATOM 1698 CA SER A 616 13.319 7.279 5.063 1.00 0.00 C ATOM 1699 C SER A 616 13.268 6.797 3.617 1.00 0.00 C ATOM 1700 O SER A 616 13.823 7.425 2.715 1.00 0.00 O ATOM 1701 CB SER A 616 14.370 6.494 5.850 1.00 0.00 C ATOM 1702 OG SER A 616 15.660 6.652 5.289 1.00 0.00 O ATOM 0 H SER A 616 11.980 6.450 6.446 1.00 0.00 H new ATOM 0 HA SER A 616 13.596 8.333 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 616 14.378 6.832 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.104 5.437 5.862 1.00 0.00 H new ATOM 0 HG SER A 616 16.310 6.140 5.814 1.00 0.00 H new ATOM 1708 N ARG A 617 12.570 5.690 3.401 1.00 0.00 N ATOM 1709 CA ARG A 617 12.361 5.166 2.059 1.00 0.00 C ATOM 1710 C ARG A 617 11.392 6.050 1.288 1.00 0.00 C ATOM 1711 O ARG A 617 11.568 6.287 0.092 1.00 0.00 O ATOM 1712 CB ARG A 617 11.863 3.722 2.108 1.00 0.00 C ATOM 1713 CG ARG A 617 12.982 2.694 2.160 1.00 0.00 C ATOM 1714 CD ARG A 617 13.874 2.886 3.375 1.00 0.00 C ATOM 1715 NE ARG A 617 14.914 1.868 3.447 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.605 1.585 4.546 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.423 2.299 5.650 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.480 0.588 4.534 1.00 0.00 N ATOM 0 H ARG A 617 12.138 5.136 4.141 1.00 0.00 H new ATOM 0 HA ARG A 617 13.318 5.171 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 617 11.224 3.596 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 617 11.245 3.530 1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.553 1.692 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.583 2.766 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 617 14.334 3.874 3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 617 13.268 2.852 4.280 1.00 0.00 H new ATOM 0 HE ARG A 617 15.125 1.339 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.752 3.067 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.955 2.080 6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.620 0.042 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 617 17.013 0.367 5.375 1.00 0.00 H new ATOM 1732 N ILE A 618 10.377 6.545 1.989 1.00 0.00 N ATOM 1733 CA ILE A 618 9.404 7.462 1.407 1.00 0.00 C ATOM 1734 C ILE A 618 10.094 8.694 0.828 1.00 0.00 C ATOM 1735 O ILE A 618 9.701 9.198 -0.216 1.00 0.00 O ATOM 1736 CB ILE A 618 8.359 7.915 2.449 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.530 6.725 2.935 1.00 0.00 C ATOM 1738 CG2 ILE A 618 7.457 8.995 1.870 1.00 0.00 C ATOM 1739 CD1 ILE A 618 6.461 7.097 3.942 1.00 0.00 C ATOM 0 H ILE A 618 10.206 6.324 2.970 1.00 0.00 H new ATOM 0 HA ILE A 618 8.896 6.920 0.609 1.00 0.00 H new ATOM 0 HB ILE A 618 8.890 8.334 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.057 6.248 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 618 8.197 5.988 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.728 9.301 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 618 8.060 9.855 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.936 8.604 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.915 6.202 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.928 7.546 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.770 7.811 3.493 1.00 0.00 H new ATOM 1751 N GLN A 619 11.125 9.169 1.511 1.00 0.00 N ATOM 1752 CA GLN A 619 11.861 10.350 1.073 1.00 0.00 C ATOM 1753 C GLN A 619 12.520 10.130 -0.285 1.00 0.00 C ATOM 1754 O GLN A 619 12.620 11.053 -1.089 1.00 0.00 O ATOM 1755 CB GLN A 619 12.898 10.752 2.116 1.00 0.00 C ATOM 1756 CG GLN A 619 12.277 11.159 3.441 1.00 0.00 C ATOM 1757 CD GLN A 619 11.335 12.338 3.311 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.745 13.494 3.403 1.00 0.00 O ATOM 1759 NE2 GLN A 619 10.061 12.052 3.108 1.00 0.00 N ATOM 0 H GLN A 619 11.474 8.754 2.375 1.00 0.00 H new ATOM 0 HA GLN A 619 11.144 11.164 0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 619 13.581 9.919 2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 619 13.492 11.580 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 619 11.734 10.311 3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 619 13.069 11.409 4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.762 11.079 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 619 9.377 12.804 3.022 1.00 0.00 H new ATOM 1768 N ALA A 620 12.976 8.914 -0.545 1.00 0.00 N ATOM 1769 CA ALA A 620 13.592 8.599 -1.826 1.00 0.00 C ATOM 1770 C ALA A 620 12.538 8.504 -2.927 1.00 0.00 C ATOM 1771 O ALA A 620 12.707 9.049 -4.017 1.00 0.00 O ATOM 1772 CB ALA A 620 14.372 7.296 -1.722 1.00 0.00 C ATOM 0 H ALA A 620 12.932 8.133 0.109 1.00 0.00 H new ATOM 0 HA ALA A 620 14.280 9.403 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.829 7.068 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 620 15.150 7.397 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.696 6.489 -1.441 1.00 0.00 H new ATOM 1778 N ILE A 621 11.444 7.824 -2.621 1.00 0.00 N ATOM 1779 CA ILE A 621 10.376 7.607 -3.596 1.00 0.00 C ATOM 1780 C ILE A 621 9.409 8.790 -3.660 1.00 0.00 C ATOM 1781 O ILE A 621 8.463 8.783 -4.448 1.00 0.00 O ATOM 1782 CB ILE A 621 9.572 6.332 -3.275 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.952 6.425 -1.880 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.458 5.102 -3.378 1.00 0.00 C ATOM 1785 CD1 ILE A 621 8.070 5.250 -1.535 1.00 0.00 C ATOM 0 H ILE A 621 11.268 7.411 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 621 10.868 7.497 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 621 8.768 6.242 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.749 6.500 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.366 7.342 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.873 4.212 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.855 5.024 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.282 5.187 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.664 5.382 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 621 7.252 5.186 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.656 4.332 -1.571 1.00 0.00 H new ATOM 1797 N THR A 622 9.651 9.797 -2.827 1.00 0.00 N ATOM 1798 CA THR A 622 8.741 10.936 -2.689 1.00 0.00 C ATOM 1799 C THR A 622 8.567 11.698 -4.007 1.00 0.00 C ATOM 1800 O THR A 622 7.586 12.424 -4.181 1.00 0.00 O ATOM 1801 CB THR A 622 9.211 11.915 -1.579 1.00 0.00 C ATOM 1802 OG1 THR A 622 8.121 12.748 -1.160 1.00 0.00 O ATOM 1803 CG2 THR A 622 10.353 12.802 -2.062 1.00 0.00 C ATOM 0 H THR A 622 10.477 9.850 -2.231 1.00 0.00 H new ATOM 0 HA THR A 622 7.775 10.519 -2.404 1.00 0.00 H new ATOM 0 HB THR A 622 9.566 11.313 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 622 7.582 12.997 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 622 10.656 13.474 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 622 11.199 12.180 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 622 10.021 13.387 -2.920 1.00 0.00 H new ATOM 1811 N GLY A 623 9.514 11.542 -4.923 1.00 0.00 N ATOM 1812 CA GLY A 623 9.396 12.175 -6.218 1.00 0.00 C ATOM 1813 C GLY A 623 10.098 13.512 -6.289 1.00 0.00 C ATOM 1814 O GLY A 623 9.487 14.560 -6.063 1.00 0.00 O ATOM 0 H GLY A 623 10.360 10.988 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 623 9.810 11.513 -6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 623 8.341 12.312 -6.454 1.00 0.00 H new ATOM 1818 N SER A 624 11.381 13.476 -6.593 1.00 0.00 N ATOM 1819 CA SER A 624 12.156 14.684 -6.788 1.00 0.00 C ATOM 1820 C SER A 624 12.688 14.725 -8.216 1.00 0.00 C ATOM 1821 O SER A 624 12.146 15.496 -9.034 1.00 0.00 O ATOM 1822 CB SER A 624 13.306 14.747 -5.782 1.00 0.00 C ATOM 1823 OG SER A 624 12.821 14.652 -4.449 1.00 0.00 O ATOM 1824 OXT SER A 624 13.617 13.958 -8.526 1.00 0.00 O ATOM 0 H SER A 624 11.912 12.613 -6.711 1.00 0.00 H new ATOM 0 HA SER A 624 11.516 15.551 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 624 14.009 13.937 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 624 13.854 15.681 -5.908 1.00 0.00 H new ATOM 0 HG SER A 624 13.574 14.693 -3.823 1.00 0.00 H new TER 1830 SER A 624