USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 981 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 559 LYS NZ :NH3+ 176:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 634 SER OG : rot 180:sc= 0.00121 USER MOD Set 1.3: A 637 ASN : amide:sc= 0.91 K(o=2,f=-1.6) USER MOD Set 2.1: A 535 CYS SG : rot -111:sc= 0.182 USER MOD Set 2.2: A 631 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 593 THR OG1 : rot 180:sc= -0.0155 USER MOD Set 3.2: A 599 MET CE :methyl -160:sc= -0.419 (180deg=-1.59!) USER MOD Set 4.1: A 580 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0261) USER MOD Set 4.2: A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot -90:sc= 1.23 USER MOD Single : A 542 MET CE :methyl 170:sc= 0 (180deg=-0.107) USER MOD Single : A 547 ASN :FLIP amide:sc= 0.0448 F(o=-1.4!,f=0.045) USER MOD Single : A 551 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 554 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 556 MET CE :methyl -100:sc= -0.0508 (180deg=-1.36) USER MOD Single : A 558 THR OG1 : rot -99:sc=0.000242 USER MOD Single : A 561 LYS NZ :NH3+ -159:sc= 0.953 (180deg=0.593) USER MOD Single : A 566 GLN : amide:sc= 0.259 X(o=0.26,f=-0.22) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot -170:sc= -0.439 USER MOD Single : A 579 LYS NZ :NH3+ -167:sc= -0.0206 (180deg=-0.157) USER MOD Single : A 581 MET CE :methyl 171:sc= -0.696 (180deg=-1.13) USER MOD Single : A 585 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD Single : A 594 LYS NZ :NH3+ -172:sc= 0.481 (180deg=0.282) USER MOD Single : A 596 ASN : amide:sc= -0.128 K(o=-0.13,f=-7.3!) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 93:sc= 0.746 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 180:sc= 0.869 USER MOD Single : A 614 THR OG1 : rot -140:sc= 0 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 35:sc= 0.434 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.0515 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 11:sc= -0.694 USER MOD Single : A 632 SER OG : rot 75:sc= 0.513 USER MOD Single : A 639 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl 166:sc= 0 (180deg=-0.141) USER MOD Single : A 648 MET CE :methyl -175:sc=-0.00795 (180deg=-0.0363) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 5.927 10.816 4.187 1.00 2.06 N ATOM 16 CA CYS A 535 5.274 9.682 3.531 1.00 1.89 C ATOM 17 C CYS A 535 6.162 8.424 3.502 1.00 1.76 C ATOM 18 O CYS A 535 5.634 7.309 3.576 1.00 1.78 O ATOM 19 CB CYS A 535 4.841 10.108 2.122 1.00 2.61 C ATOM 20 SG CYS A 535 3.549 11.382 2.228 1.00 3.33 S ATOM 0 HA CYS A 535 4.395 9.402 4.112 1.00 1.89 H new ATOM 0 HB2 CYS A 535 5.698 10.493 1.570 1.00 2.61 H new ATOM 0 HB3 CYS A 535 4.468 9.245 1.571 1.00 2.61 H new ATOM 0 HG CYS A 535 2.419 10.889 1.816 1.00 3.33 H new ATOM 26 N ARG A 536 7.500 8.562 3.445 1.00 1.87 N ATOM 27 CA ARG A 536 8.407 7.398 3.399 1.00 2.05 C ATOM 28 C ARG A 536 8.305 6.515 4.645 1.00 2.05 C ATOM 29 O ARG A 536 8.329 5.298 4.500 1.00 2.23 O ATOM 30 CB ARG A 536 9.860 7.781 3.048 1.00 2.47 C ATOM 31 CG ARG A 536 10.700 8.435 4.161 1.00 2.43 C ATOM 32 CD ARG A 536 12.154 8.572 3.684 1.00 3.03 C ATOM 33 NE ARG A 536 13.014 9.262 4.661 1.00 3.21 N ATOM 34 CZ ARG A 536 13.913 8.742 5.475 1.00 4.38 C ATOM 35 NH1 ARG A 536 14.108 7.472 5.664 1.00 5.64 N ATOM 36 NH2 ARG A 536 14.687 9.523 6.157 1.00 4.80 N ATOM 0 H ARG A 536 7.976 9.464 3.430 1.00 1.87 H new ATOM 0 HA ARG A 536 8.058 6.782 2.571 1.00 2.05 H new ATOM 0 HB2 ARG A 536 10.377 6.880 2.718 1.00 2.47 H new ATOM 0 HB3 ARG A 536 9.834 8.463 2.198 1.00 2.47 H new ATOM 0 HG2 ARG A 536 10.293 9.415 4.412 1.00 2.43 H new ATOM 0 HG3 ARG A 536 10.658 7.831 5.067 1.00 2.43 H new ATOM 0 HD2 ARG A 536 12.561 7.581 3.485 1.00 3.03 H new ATOM 0 HD3 ARG A 536 12.172 9.119 2.741 1.00 3.03 H new ATOM 0 HE ARG A 536 12.900 10.274 4.715 1.00 3.21 H new ATOM 0 HH11 ARG A 536 13.541 6.789 5.162 1.00 5.64 H new ATOM 0 HH12 ARG A 536 14.828 7.158 6.315 1.00 5.64 H new ATOM 0 HH21 ARG A 536 14.600 10.535 6.064 1.00 4.80 H new ATOM 0 HH22 ARG A 536 15.384 9.127 6.788 1.00 4.80 H new ATOM 50 N LYS A 537 8.060 7.084 5.832 1.00 1.95 N ATOM 51 CA LYS A 537 7.830 6.355 7.090 1.00 1.96 C ATOM 52 C LYS A 537 6.643 5.377 7.050 1.00 1.89 C ATOM 53 O LYS A 537 6.620 4.424 7.831 1.00 1.94 O ATOM 54 CB LYS A 537 7.675 7.413 8.190 1.00 1.98 C ATOM 55 CG LYS A 537 7.489 6.806 9.583 1.00 2.67 C ATOM 56 CD LYS A 537 7.680 7.879 10.652 1.00 2.60 C ATOM 57 CE LYS A 537 7.442 7.231 12.021 1.00 3.33 C ATOM 58 NZ LYS A 537 7.657 8.168 13.143 1.00 3.71 N ATOM 0 H LYS A 537 8.015 8.096 5.949 1.00 1.95 H new ATOM 0 HA LYS A 537 8.681 5.702 7.284 1.00 1.96 H new ATOM 0 HB2 LYS A 537 8.555 8.056 8.195 1.00 1.98 H new ATOM 0 HB3 LYS A 537 6.819 8.047 7.959 1.00 1.98 H new ATOM 0 HG2 LYS A 537 6.494 6.370 9.668 1.00 2.67 H new ATOM 0 HG3 LYS A 537 8.205 5.998 9.735 1.00 2.67 H new ATOM 0 HD2 LYS A 537 8.685 8.297 10.598 1.00 2.60 H new ATOM 0 HD3 LYS A 537 6.984 8.703 10.494 1.00 2.60 H new ATOM 0 HE2 LYS A 537 6.423 6.848 12.064 1.00 3.33 H new ATOM 0 HE3 LYS A 537 8.109 6.376 12.134 1.00 3.33 H new ATOM 0 HZ1 LYS A 537 7.482 7.677 14.043 1.00 3.71 H new ATOM 0 HZ2 LYS A 537 8.637 8.515 13.122 1.00 3.71 H new ATOM 0 HZ3 LYS A 537 7.003 8.972 13.054 1.00 3.71 H new ATOM 72 N LEU A 538 5.674 5.576 6.150 1.00 1.87 N ATOM 73 CA LEU A 538 4.540 4.664 5.976 1.00 1.91 C ATOM 74 C LEU A 538 4.854 3.563 4.954 1.00 1.81 C ATOM 75 O LEU A 538 4.632 2.389 5.248 1.00 1.90 O ATOM 76 CB LEU A 538 3.251 5.434 5.624 1.00 2.01 C ATOM 77 CG LEU A 538 2.684 6.403 6.687 1.00 1.32 C ATOM 78 CD1 LEU A 538 2.835 5.898 8.124 1.00 2.44 C ATOM 79 CD2 LEU A 538 3.297 7.800 6.601 1.00 1.85 C ATOM 0 H LEU A 538 5.655 6.378 5.520 1.00 1.87 H new ATOM 0 HA LEU A 538 4.365 4.167 6.930 1.00 1.91 H new ATOM 0 HB2 LEU A 538 3.438 6.005 4.715 1.00 2.01 H new ATOM 0 HB3 LEU A 538 2.477 4.704 5.388 1.00 2.01 H new ATOM 0 HG LEU A 538 1.622 6.455 6.448 1.00 1.32 H new ATOM 0 HD11 LEU A 538 2.415 6.631 8.813 1.00 2.44 H new ATOM 0 HD12 LEU A 538 2.307 4.951 8.234 1.00 2.44 H new ATOM 0 HD13 LEU A 538 3.891 5.752 8.349 1.00 2.44 H new ATOM 0 HD21 LEU A 538 2.861 8.437 7.371 1.00 1.85 H new ATOM 0 HD22 LEU A 538 4.375 7.734 6.751 1.00 1.85 H new ATOM 0 HD23 LEU A 538 3.093 8.227 5.619 1.00 1.85 H new ATOM 91 N VAL A 539 5.447 3.903 3.803 1.00 1.68 N ATOM 92 CA VAL A 539 5.873 2.903 2.801 1.00 1.62 C ATOM 93 C VAL A 539 6.964 1.974 3.369 1.00 1.74 C ATOM 94 O VAL A 539 6.881 0.757 3.231 1.00 1.84 O ATOM 95 CB VAL A 539 6.222 3.595 1.462 1.00 1.43 C ATOM 96 CG1 VAL A 539 7.716 3.791 1.208 1.00 1.49 C ATOM 97 CG2 VAL A 539 5.603 2.813 0.302 1.00 1.39 C ATOM 0 H VAL A 539 5.646 4.867 3.536 1.00 1.68 H new ATOM 0 HA VAL A 539 5.044 2.234 2.569 1.00 1.62 H new ATOM 0 HB VAL A 539 5.802 4.598 1.533 1.00 1.43 H new ATOM 0 HG11 VAL A 539 7.860 4.283 0.246 1.00 1.49 H new ATOM 0 HG12 VAL A 539 8.142 4.408 1.999 1.00 1.49 H new ATOM 0 HG13 VAL A 539 8.214 2.821 1.197 1.00 1.49 H new ATOM 0 HG21 VAL A 539 5.850 3.303 -0.640 1.00 1.39 H new ATOM 0 HG22 VAL A 539 5.997 1.797 0.297 1.00 1.39 H new ATOM 0 HG23 VAL A 539 4.520 2.782 0.421 1.00 1.39 H new ATOM 107 N ALA A 540 7.903 2.517 4.152 1.00 1.80 N ATOM 108 CA ALA A 540 8.943 1.782 4.880 1.00 1.94 C ATOM 109 C ALA A 540 8.430 0.924 6.053 1.00 2.09 C ATOM 110 O ALA A 540 9.230 0.261 6.718 1.00 2.12 O ATOM 111 CB ALA A 540 9.979 2.790 5.384 1.00 2.00 C ATOM 0 H ALA A 540 7.961 3.524 4.302 1.00 1.80 H new ATOM 0 HA ALA A 540 9.375 1.069 4.177 1.00 1.94 H new ATOM 0 HB1 ALA A 540 10.763 2.264 5.929 1.00 2.00 H new ATOM 0 HB2 ALA A 540 10.417 3.316 4.536 1.00 2.00 H new ATOM 0 HB3 ALA A 540 9.496 3.508 6.046 1.00 2.00 H new ATOM 117 N SER A 541 7.123 0.933 6.345 1.00 2.21 N ATOM 118 CA SER A 541 6.554 0.139 7.436 1.00 2.41 C ATOM 119 C SER A 541 6.264 -1.301 6.999 1.00 2.40 C ATOM 120 O SER A 541 6.234 -2.219 7.823 1.00 2.51 O ATOM 121 CB SER A 541 5.316 0.823 8.013 1.00 2.65 C ATOM 122 OG SER A 541 4.171 0.671 7.190 1.00 4.52 O ATOM 0 H SER A 541 6.436 1.488 5.834 1.00 2.21 H new ATOM 0 HA SER A 541 7.298 0.078 8.230 1.00 2.41 H new ATOM 0 HB2 SER A 541 5.106 0.411 9.000 1.00 2.65 H new ATOM 0 HB3 SER A 541 5.523 1.885 8.148 1.00 2.65 H new ATOM 0 HG SER A 541 4.123 1.416 6.556 1.00 4.52 H new ATOM 128 N MET A 542 6.127 -1.512 5.688 1.00 2.28 N ATOM 129 CA MET A 542 6.073 -2.815 5.045 1.00 2.24 C ATOM 130 C MET A 542 7.440 -3.523 5.140 1.00 2.00 C ATOM 131 O MET A 542 8.463 -2.897 4.849 1.00 1.86 O ATOM 132 CB MET A 542 5.706 -2.623 3.568 1.00 2.22 C ATOM 133 CG MET A 542 4.278 -2.122 3.341 1.00 1.90 C ATOM 134 SD MET A 542 3.845 -1.910 1.591 1.00 2.42 S ATOM 135 CE MET A 542 3.762 -3.640 1.045 1.00 1.96 C ATOM 0 H MET A 542 6.048 -0.743 5.023 1.00 2.28 H new ATOM 0 HA MET A 542 5.325 -3.429 5.547 1.00 2.24 H new ATOM 0 HB2 MET A 542 6.404 -1.915 3.120 1.00 2.22 H new ATOM 0 HB3 MET A 542 5.835 -3.571 3.046 1.00 2.22 H new ATOM 0 HG2 MET A 542 3.580 -2.825 3.796 1.00 1.90 H new ATOM 0 HG3 MET A 542 4.151 -1.169 3.855 1.00 1.90 H new ATOM 0 HE1 MET A 542 3.335 -3.685 0.043 1.00 1.96 H new ATOM 0 HE2 MET A 542 4.765 -4.066 1.032 1.00 1.96 H new ATOM 0 HE3 MET A 542 3.136 -4.209 1.732 1.00 1.96 H new ATOM 145 N PRO A 543 7.492 -4.831 5.453 1.00 2.04 N ATOM 146 CA PRO A 543 8.755 -5.569 5.604 1.00 1.91 C ATOM 147 C PRO A 543 9.561 -5.611 4.294 1.00 1.73 C ATOM 148 O PRO A 543 10.786 -5.506 4.304 1.00 1.60 O ATOM 149 CB PRO A 543 8.346 -6.963 6.094 1.00 2.19 C ATOM 150 CG PRO A 543 6.919 -7.131 5.572 1.00 2.46 C ATOM 151 CD PRO A 543 6.351 -5.714 5.632 1.00 2.34 C ATOM 0 HA PRO A 543 9.427 -5.084 6.312 1.00 1.91 H new ATOM 0 HB2 PRO A 543 9.008 -7.735 5.702 1.00 2.19 H new ATOM 0 HB3 PRO A 543 8.385 -7.032 7.181 1.00 2.19 H new ATOM 0 HG2 PRO A 543 6.907 -7.526 4.556 1.00 2.46 H new ATOM 0 HG3 PRO A 543 6.344 -7.821 6.189 1.00 2.46 H new ATOM 0 HD2 PRO A 543 5.606 -5.556 4.852 1.00 2.34 H new ATOM 0 HD3 PRO A 543 5.857 -5.529 6.586 1.00 2.34 H new ATOM 159 N LEU A 544 8.858 -5.625 3.156 1.00 1.83 N ATOM 160 CA LEU A 544 9.391 -5.503 1.796 1.00 1.71 C ATOM 161 C LEU A 544 10.292 -4.259 1.597 1.00 1.54 C ATOM 162 O LEU A 544 11.263 -4.320 0.839 1.00 1.50 O ATOM 163 CB LEU A 544 8.149 -5.539 0.876 1.00 1.73 C ATOM 164 CG LEU A 544 8.407 -5.570 -0.640 1.00 2.13 C ATOM 165 CD1 LEU A 544 7.225 -6.242 -1.337 1.00 2.17 C ATOM 166 CD2 LEU A 544 8.527 -4.177 -1.261 1.00 2.81 C ATOM 0 H LEU A 544 7.843 -5.728 3.161 1.00 1.83 H new ATOM 0 HA LEU A 544 10.075 -6.317 1.557 1.00 1.71 H new ATOM 0 HB2 LEU A 544 7.558 -6.417 1.138 1.00 1.73 H new ATOM 0 HB3 LEU A 544 7.537 -4.665 1.098 1.00 1.73 H new ATOM 0 HG LEU A 544 9.347 -6.105 -0.775 1.00 2.13 H new ATOM 0 HD11 LEU A 544 7.403 -6.267 -2.412 1.00 2.17 H new ATOM 0 HD12 LEU A 544 7.114 -7.260 -0.964 1.00 2.17 H new ATOM 0 HD13 LEU A 544 6.314 -5.679 -1.133 1.00 2.17 H new ATOM 0 HD21 LEU A 544 8.709 -4.270 -2.332 1.00 2.81 H new ATOM 0 HD22 LEU A 544 7.602 -3.624 -1.097 1.00 2.81 H new ATOM 0 HD23 LEU A 544 9.356 -3.642 -0.798 1.00 2.81 H new ATOM 178 N PHE A 545 10.019 -3.162 2.318 1.00 1.54 N ATOM 179 CA PHE A 545 10.765 -1.899 2.289 1.00 1.47 C ATOM 180 C PHE A 545 11.644 -1.669 3.539 1.00 1.46 C ATOM 181 O PHE A 545 12.416 -0.712 3.575 1.00 1.52 O ATOM 182 CB PHE A 545 9.780 -0.728 2.172 1.00 1.59 C ATOM 183 CG PHE A 545 8.987 -0.557 0.887 1.00 1.58 C ATOM 184 CD1 PHE A 545 7.854 -1.354 0.641 1.00 2.61 C ATOM 185 CD2 PHE A 545 9.267 0.529 0.035 1.00 2.02 C ATOM 186 CE1 PHE A 545 6.957 -1.012 -0.385 1.00 2.62 C ATOM 187 CE2 PHE A 545 8.375 0.870 -0.997 1.00 2.03 C ATOM 188 CZ PHE A 545 7.202 0.118 -1.181 1.00 1.61 C ATOM 0 H PHE A 545 9.234 -3.132 2.968 1.00 1.54 H new ATOM 0 HA PHE A 545 11.431 -1.957 1.428 1.00 1.47 H new ATOM 0 HB2 PHE A 545 9.065 -0.816 2.990 1.00 1.59 H new ATOM 0 HB3 PHE A 545 10.341 0.192 2.337 1.00 1.59 H new ATOM 0 HD1 PHE A 545 7.673 -2.232 1.243 1.00 2.61 H new ATOM 0 HD2 PHE A 545 10.171 1.103 0.175 1.00 2.02 H new ATOM 0 HE1 PHE A 545 6.080 -1.618 -0.561 1.00 2.62 H new ATOM 0 HE2 PHE A 545 8.590 1.706 -1.646 1.00 2.03 H new ATOM 0 HZ PHE A 545 6.488 0.410 -1.936 1.00 1.61 H new ATOM 198 N ALA A 546 11.567 -2.505 4.578 1.00 1.45 N ATOM 199 CA ALA A 546 12.234 -2.254 5.863 1.00 1.59 C ATOM 200 C ALA A 546 13.767 -2.161 5.766 1.00 1.53 C ATOM 201 O ALA A 546 14.419 -1.345 6.415 1.00 1.68 O ATOM 202 CB ALA A 546 11.830 -3.375 6.808 1.00 1.82 C ATOM 0 H ALA A 546 11.040 -3.378 4.554 1.00 1.45 H new ATOM 0 HA ALA A 546 11.915 -1.277 6.227 1.00 1.59 H new ATOM 0 HB1 ALA A 546 12.307 -3.224 7.777 1.00 1.82 H new ATOM 0 HB2 ALA A 546 10.747 -3.374 6.932 1.00 1.82 H new ATOM 0 HB3 ALA A 546 12.146 -4.332 6.393 1.00 1.82 H new ATOM 208 N ASN A 547 14.325 -2.981 4.888 1.00 1.49 N ATOM 209 CA ASN A 547 15.740 -3.090 4.538 1.00 1.53 C ATOM 210 C ASN A 547 16.172 -2.143 3.399 1.00 1.30 C ATOM 211 O ASN A 547 17.342 -2.135 3.008 1.00 1.31 O ATOM 212 CB ASN A 547 15.990 -4.572 4.208 1.00 1.80 C ATOM 213 CG ASN A 547 15.016 -5.114 3.175 1.00 3.40 C ATOM 214 OD1 ASN A 547 13.852 -5.557 3.601 1.00 4.68 O flip ATOM 215 ND2 ASN A 547 15.258 -5.066 1.977 1.00 3.98 N flip ATOM 0 H ASN A 547 13.757 -3.642 4.357 1.00 1.49 H new ATOM 0 HA ASN A 547 16.358 -2.767 5.376 1.00 1.53 H new ATOM 0 HB2 ASN A 547 17.009 -4.691 3.839 1.00 1.80 H new ATOM 0 HB3 ASN A 547 15.911 -5.162 5.121 1.00 1.80 H new ATOM 0 HD21 ASN A 547 16.162 -4.722 1.653 1.00 3.98 H new ATOM 0 HD22 ASN A 547 14.556 -5.370 1.302 1.00 3.98 H new ATOM 222 N ALA A 548 15.225 -1.369 2.859 1.00 1.22 N ATOM 223 CA ALA A 548 15.419 -0.554 1.651 1.00 1.15 C ATOM 224 C ALA A 548 16.391 0.633 1.816 1.00 1.08 C ATOM 225 O ALA A 548 16.542 1.214 2.893 1.00 1.15 O ATOM 226 CB ALA A 548 14.066 -0.051 1.126 1.00 1.27 C ATOM 0 H ALA A 548 14.288 -1.289 3.253 1.00 1.22 H new ATOM 0 HA ALA A 548 15.890 -1.221 0.929 1.00 1.15 H new ATOM 0 HB1 ALA A 548 14.224 0.551 0.231 1.00 1.27 H new ATOM 0 HB2 ALA A 548 13.431 -0.903 0.883 1.00 1.27 H new ATOM 0 HB3 ALA A 548 13.582 0.556 1.891 1.00 1.27 H new ATOM 232 N ASP A 549 16.991 1.047 0.697 1.00 1.02 N ATOM 233 CA ASP A 549 17.761 2.289 0.595 1.00 1.00 C ATOM 234 C ASP A 549 16.838 3.529 0.646 1.00 0.99 C ATOM 235 O ASP A 549 15.905 3.612 -0.156 1.00 0.93 O ATOM 236 CB ASP A 549 18.557 2.265 -0.714 1.00 0.96 C ATOM 237 CG ASP A 549 19.507 3.451 -0.787 1.00 1.05 C ATOM 238 OD1 ASP A 549 19.075 4.558 -1.176 1.00 1.87 O ATOM 239 OD2 ASP A 549 20.697 3.291 -0.428 1.00 2.09 O ATOM 0 H ASP A 549 16.955 0.521 -0.176 1.00 1.02 H new ATOM 0 HA ASP A 549 18.442 2.359 1.444 1.00 1.00 H new ATOM 0 HB2 ASP A 549 19.122 1.335 -0.785 1.00 0.96 H new ATOM 0 HB3 ASP A 549 17.873 2.288 -1.562 1.00 0.96 H new ATOM 244 N PRO A 550 17.085 4.521 1.524 1.00 1.09 N ATOM 245 CA PRO A 550 16.162 5.641 1.773 1.00 1.16 C ATOM 246 C PRO A 550 15.916 6.556 0.559 1.00 1.10 C ATOM 247 O PRO A 550 14.962 7.335 0.554 1.00 1.15 O ATOM 248 CB PRO A 550 16.805 6.433 2.920 1.00 1.28 C ATOM 249 CG PRO A 550 18.294 6.157 2.720 1.00 1.24 C ATOM 250 CD PRO A 550 18.283 4.682 2.334 1.00 1.16 C ATOM 0 HA PRO A 550 15.172 5.250 2.008 1.00 1.16 H new ATOM 0 HB2 PRO A 550 16.578 7.497 2.856 1.00 1.28 H new ATOM 0 HB3 PRO A 550 16.456 6.091 3.894 1.00 1.28 H new ATOM 0 HG2 PRO A 550 18.725 6.782 1.938 1.00 1.24 H new ATOM 0 HG3 PRO A 550 18.870 6.339 3.627 1.00 1.24 H new ATOM 0 HD2 PRO A 550 19.179 4.412 1.774 1.00 1.16 H new ATOM 0 HD3 PRO A 550 18.254 4.042 3.216 1.00 1.16 H new ATOM 258 N ASN A 551 16.744 6.459 -0.483 1.00 1.01 N ATOM 259 CA ASN A 551 16.635 7.267 -1.698 1.00 0.92 C ATOM 260 C ASN A 551 15.754 6.559 -2.734 1.00 0.81 C ATOM 261 O ASN A 551 14.872 7.179 -3.318 1.00 0.81 O ATOM 262 CB ASN A 551 18.044 7.585 -2.228 1.00 0.96 C ATOM 263 CG ASN A 551 18.935 8.228 -1.179 1.00 1.18 C ATOM 264 OD1 ASN A 551 19.925 7.666 -0.731 1.00 2.26 O ATOM 265 ND2 ASN A 551 18.605 9.426 -0.761 1.00 2.24 N ATOM 0 H ASN A 551 17.525 5.803 -0.506 1.00 1.01 H new ATOM 0 HA ASN A 551 16.147 8.216 -1.475 1.00 0.92 H new ATOM 0 HB2 ASN A 551 18.511 6.665 -2.581 1.00 0.96 H new ATOM 0 HB3 ASN A 551 17.963 8.251 -3.087 1.00 0.96 H new ATOM 0 HD21 ASN A 551 19.175 9.896 -0.058 1.00 2.24 H new ATOM 0 HD22 ASN A 551 17.778 9.888 -1.139 1.00 2.24 H new ATOM 272 N PHE A 552 15.909 5.239 -2.876 1.00 0.77 N ATOM 273 CA PHE A 552 15.046 4.381 -3.698 1.00 0.74 C ATOM 274 C PHE A 552 13.575 4.487 -3.272 1.00 0.79 C ATOM 275 O PHE A 552 12.702 4.727 -4.106 1.00 0.79 O ATOM 276 CB PHE A 552 15.537 2.925 -3.600 1.00 0.79 C ATOM 277 CG PHE A 552 14.536 1.879 -4.058 1.00 0.89 C ATOM 278 CD1 PHE A 552 14.029 1.900 -5.372 1.00 2.20 C ATOM 279 CD2 PHE A 552 14.059 0.918 -3.144 1.00 1.67 C ATOM 280 CE1 PHE A 552 13.043 0.977 -5.761 1.00 2.34 C ATOM 281 CE2 PHE A 552 13.082 -0.013 -3.539 1.00 1.66 C ATOM 282 CZ PHE A 552 12.574 0.019 -4.847 1.00 1.19 C ATOM 0 H PHE A 552 16.656 4.723 -2.411 1.00 0.77 H new ATOM 0 HA PHE A 552 15.105 4.717 -4.733 1.00 0.74 H new ATOM 0 HB2 PHE A 552 16.445 2.823 -4.195 1.00 0.79 H new ATOM 0 HB3 PHE A 552 15.809 2.718 -2.565 1.00 0.79 H new ATOM 0 HD1 PHE A 552 14.398 2.626 -6.081 1.00 2.20 H new ATOM 0 HD2 PHE A 552 14.446 0.897 -2.136 1.00 1.67 H new ATOM 0 HE1 PHE A 552 12.645 1.004 -6.765 1.00 2.34 H new ATOM 0 HE2 PHE A 552 12.723 -0.751 -2.837 1.00 1.66 H new ATOM 0 HZ PHE A 552 11.822 -0.694 -5.151 1.00 1.19 H new ATOM 292 N VAL A 553 13.301 4.367 -1.967 1.00 0.88 N ATOM 293 CA VAL A 553 11.915 4.374 -1.445 1.00 1.02 C ATOM 294 C VAL A 553 11.198 5.704 -1.660 1.00 1.07 C ATOM 295 O VAL A 553 9.986 5.756 -1.834 1.00 1.15 O ATOM 296 CB VAL A 553 11.840 4.000 0.043 1.00 1.17 C ATOM 297 CG1 VAL A 553 12.618 2.720 0.280 1.00 1.91 C ATOM 298 CG2 VAL A 553 12.424 5.013 1.027 1.00 1.24 C ATOM 0 H VAL A 553 14.016 4.263 -1.247 1.00 0.88 H new ATOM 0 HA VAL A 553 11.403 3.609 -2.029 1.00 1.02 H new ATOM 0 HB VAL A 553 10.769 3.929 0.234 1.00 1.17 H new ATOM 0 HG11 VAL A 553 12.566 2.453 1.335 1.00 1.91 H new ATOM 0 HG12 VAL A 553 12.189 1.917 -0.319 1.00 1.91 H new ATOM 0 HG13 VAL A 553 13.659 2.869 -0.006 1.00 1.91 H new ATOM 0 HG21 VAL A 553 12.313 4.638 2.044 1.00 1.24 H new ATOM 0 HG22 VAL A 553 13.481 5.164 0.809 1.00 1.24 H new ATOM 0 HG23 VAL A 553 11.895 5.961 0.930 1.00 1.24 H new ATOM 308 N THR A 554 11.987 6.771 -1.640 1.00 1.03 N ATOM 309 CA THR A 554 11.586 8.173 -1.756 1.00 1.05 C ATOM 310 C THR A 554 11.411 8.582 -3.212 1.00 0.91 C ATOM 311 O THR A 554 10.439 9.256 -3.553 1.00 0.97 O ATOM 312 CB THR A 554 12.621 9.071 -1.067 1.00 1.14 C ATOM 313 OG1 THR A 554 12.678 8.747 0.303 1.00 1.32 O ATOM 314 CG2 THR A 554 12.243 10.542 -1.173 1.00 1.22 C ATOM 0 H THR A 554 12.997 6.675 -1.535 1.00 1.03 H new ATOM 0 HA THR A 554 10.622 8.294 -1.262 1.00 1.05 H new ATOM 0 HB THR A 554 13.580 8.907 -1.559 1.00 1.14 H new ATOM 0 HG1 THR A 554 13.444 8.159 0.468 1.00 1.32 H new ATOM 0 HG21 THR A 554 12.999 11.149 -0.674 1.00 1.22 H new ATOM 0 HG22 THR A 554 12.184 10.828 -2.223 1.00 1.22 H new ATOM 0 HG23 THR A 554 11.276 10.704 -0.698 1.00 1.22 H new ATOM 322 N ALA A 555 12.313 8.136 -4.091 1.00 0.77 N ATOM 323 CA ALA A 555 12.305 8.485 -5.507 1.00 0.66 C ATOM 324 C ALA A 555 11.013 8.063 -6.229 1.00 0.65 C ATOM 325 O ALA A 555 10.705 8.623 -7.285 1.00 0.71 O ATOM 326 CB ALA A 555 13.540 7.855 -6.167 1.00 0.65 C ATOM 0 H ALA A 555 13.078 7.514 -3.831 1.00 0.77 H new ATOM 0 HA ALA A 555 12.340 9.571 -5.592 1.00 0.66 H new ATOM 0 HB1 ALA A 555 13.553 8.105 -7.228 1.00 0.65 H new ATOM 0 HB2 ALA A 555 14.443 8.241 -5.693 1.00 0.65 H new ATOM 0 HB3 ALA A 555 13.503 6.772 -6.049 1.00 0.65 H new ATOM 332 N MET A 556 10.244 7.118 -5.665 1.00 0.76 N ATOM 333 CA MET A 556 8.935 6.741 -6.239 1.00 0.97 C ATOM 334 C MET A 556 7.726 7.533 -5.707 1.00 0.79 C ATOM 335 O MET A 556 6.636 7.435 -6.267 1.00 0.84 O ATOM 336 CB MET A 556 8.749 5.223 -6.178 1.00 1.77 C ATOM 337 CG MET A 556 8.138 4.684 -4.886 1.00 0.63 C ATOM 338 SD MET A 556 8.202 2.881 -4.785 1.00 1.07 S ATOM 339 CE MET A 556 9.979 2.616 -4.522 1.00 0.88 C ATOM 0 H MET A 556 10.499 6.604 -4.822 1.00 0.76 H new ATOM 0 HA MET A 556 8.963 7.042 -7.286 1.00 0.97 H new ATOM 0 HB2 MET A 556 8.117 4.919 -7.012 1.00 1.77 H new ATOM 0 HB3 MET A 556 9.720 4.750 -6.325 1.00 1.77 H new ATOM 0 HG2 MET A 556 8.666 5.111 -4.033 1.00 0.63 H new ATOM 0 HG3 MET A 556 7.101 5.011 -4.815 1.00 0.63 H new ATOM 0 HE1 MET A 556 10.449 2.336 -5.465 1.00 0.88 H new ATOM 0 HE2 MET A 556 10.433 3.535 -4.150 1.00 0.88 H new ATOM 0 HE3 MET A 556 10.124 1.819 -3.793 1.00 0.88 H new ATOM 349 N LEU A 557 7.894 8.339 -4.651 1.00 0.78 N ATOM 350 CA LEU A 557 6.807 9.119 -4.037 1.00 0.86 C ATOM 351 C LEU A 557 6.570 10.467 -4.748 1.00 0.79 C ATOM 352 O LEU A 557 5.539 11.110 -4.546 1.00 0.86 O ATOM 353 CB LEU A 557 7.117 9.377 -2.545 1.00 1.12 C ATOM 354 CG LEU A 557 7.607 8.172 -1.722 1.00 1.27 C ATOM 355 CD1 LEU A 557 7.820 8.583 -0.266 1.00 1.57 C ATOM 356 CD2 LEU A 557 6.633 6.992 -1.746 1.00 1.41 C ATOM 0 H LEU A 557 8.796 8.471 -4.193 1.00 0.78 H new ATOM 0 HA LEU A 557 5.897 8.527 -4.138 1.00 0.86 H new ATOM 0 HB2 LEU A 557 7.873 10.160 -2.485 1.00 1.12 H new ATOM 0 HB3 LEU A 557 6.216 9.768 -2.073 1.00 1.12 H new ATOM 0 HG LEU A 557 8.541 7.851 -2.183 1.00 1.27 H new ATOM 0 HD11 LEU A 557 8.167 7.723 0.308 1.00 1.57 H new ATOM 0 HD12 LEU A 557 8.566 9.376 -0.217 1.00 1.57 H new ATOM 0 HD13 LEU A 557 6.880 8.943 0.152 1.00 1.57 H new ATOM 0 HD21 LEU A 557 7.036 6.175 -1.148 1.00 1.41 H new ATOM 0 HD22 LEU A 557 5.673 7.304 -1.334 1.00 1.41 H new ATOM 0 HD23 LEU A 557 6.495 6.655 -2.773 1.00 1.41 H new ATOM 368 N THR A 558 7.514 10.908 -5.585 1.00 0.77 N ATOM 369 CA THR A 558 7.563 12.251 -6.202 1.00 0.96 C ATOM 370 C THR A 558 6.326 12.618 -7.028 1.00 0.99 C ATOM 371 O THR A 558 5.986 13.801 -7.097 1.00 1.29 O ATOM 372 CB THR A 558 8.800 12.373 -7.108 1.00 1.06 C ATOM 373 OG1 THR A 558 8.821 11.302 -8.021 1.00 1.47 O ATOM 374 CG2 THR A 558 10.104 12.325 -6.313 1.00 1.88 C ATOM 0 H THR A 558 8.299 10.321 -5.867 1.00 0.77 H new ATOM 0 HA THR A 558 7.606 12.946 -5.363 1.00 0.96 H new ATOM 0 HB THR A 558 8.729 13.335 -7.616 1.00 1.06 H new ATOM 0 HG1 THR A 558 9.433 10.608 -7.697 1.00 1.47 H new ATOM 0 HG21 THR A 558 10.949 12.415 -6.995 1.00 1.88 H new ATOM 0 HG22 THR A 558 10.125 13.148 -5.599 1.00 1.88 H new ATOM 0 HG23 THR A 558 10.169 11.378 -5.777 1.00 1.88 H new ATOM 382 N LYS A 559 5.643 11.613 -7.601 1.00 0.84 N ATOM 383 CA LYS A 559 4.407 11.702 -8.408 1.00 0.94 C ATOM 384 C LYS A 559 3.130 11.176 -7.725 1.00 1.00 C ATOM 385 O LYS A 559 2.071 11.168 -8.356 1.00 1.37 O ATOM 386 CB LYS A 559 4.629 10.943 -9.734 1.00 1.01 C ATOM 387 CG LYS A 559 4.984 9.449 -9.537 1.00 1.26 C ATOM 388 CD LYS A 559 4.341 8.516 -10.578 1.00 1.44 C ATOM 389 CE LYS A 559 2.900 8.143 -10.193 1.00 1.82 C ATOM 390 NZ LYS A 559 2.222 7.347 -11.252 1.00 2.62 N ATOM 0 H LYS A 559 5.959 10.648 -7.508 1.00 0.84 H new ATOM 0 HA LYS A 559 4.227 12.766 -8.563 1.00 0.94 H new ATOM 0 HB2 LYS A 559 3.727 11.017 -10.342 1.00 1.01 H new ATOM 0 HB3 LYS A 559 5.430 11.428 -10.292 1.00 1.01 H new ATOM 0 HG2 LYS A 559 6.067 9.334 -9.579 1.00 1.26 H new ATOM 0 HG3 LYS A 559 4.669 9.139 -8.541 1.00 1.26 H new ATOM 0 HD2 LYS A 559 4.343 9.003 -11.553 1.00 1.44 H new ATOM 0 HD3 LYS A 559 4.939 7.609 -10.673 1.00 1.44 H new ATOM 0 HE2 LYS A 559 2.910 7.574 -9.264 1.00 1.82 H new ATOM 0 HE3 LYS A 559 2.330 9.052 -10.003 1.00 1.82 H new ATOM 0 HZ1 LYS A 559 1.278 7.061 -10.921 1.00 2.62 H new ATOM 0 HZ2 LYS A 559 2.127 7.923 -12.112 1.00 2.62 H new ATOM 0 HZ3 LYS A 559 2.786 6.499 -11.464 1.00 2.62 H new ATOM 404 N LEU A 560 3.247 10.642 -6.508 1.00 0.76 N ATOM 405 CA LEU A 560 2.294 9.734 -5.866 1.00 0.75 C ATOM 406 C LEU A 560 0.894 10.339 -5.652 1.00 0.79 C ATOM 407 O LEU A 560 0.759 11.538 -5.414 1.00 1.02 O ATOM 408 CB LEU A 560 2.918 9.311 -4.529 1.00 0.92 C ATOM 409 CG LEU A 560 2.170 8.179 -3.818 1.00 1.10 C ATOM 410 CD1 LEU A 560 1.994 7.006 -4.762 1.00 2.58 C ATOM 411 CD2 LEU A 560 2.984 7.642 -2.645 1.00 1.11 C ATOM 0 H LEU A 560 4.051 10.841 -5.912 1.00 0.76 H new ATOM 0 HA LEU A 560 2.123 8.883 -6.526 1.00 0.75 H new ATOM 0 HB2 LEU A 560 3.947 8.998 -4.704 1.00 0.92 H new ATOM 0 HB3 LEU A 560 2.956 10.177 -3.868 1.00 0.92 H new ATOM 0 HG LEU A 560 1.216 8.586 -3.483 1.00 1.10 H new ATOM 0 HD11 LEU A 560 1.461 6.204 -4.251 1.00 2.58 H new ATOM 0 HD12 LEU A 560 1.422 7.323 -5.634 1.00 2.58 H new ATOM 0 HD13 LEU A 560 2.972 6.646 -5.081 1.00 2.58 H new ATOM 0 HD21 LEU A 560 2.432 6.839 -2.156 1.00 1.11 H new ATOM 0 HD22 LEU A 560 3.937 7.258 -3.009 1.00 1.11 H new ATOM 0 HD23 LEU A 560 3.166 8.445 -1.930 1.00 1.11 H new ATOM 423 N LYS A 561 -0.153 9.503 -5.674 1.00 0.75 N ATOM 424 CA LYS A 561 -1.553 9.928 -5.492 1.00 0.83 C ATOM 425 C LYS A 561 -2.082 9.771 -4.071 1.00 0.70 C ATOM 426 O LYS A 561 -1.980 8.710 -3.462 1.00 0.70 O ATOM 427 CB LYS A 561 -2.495 9.230 -6.487 1.00 1.13 C ATOM 428 CG LYS A 561 -3.264 10.234 -7.356 1.00 1.04 C ATOM 429 CD LYS A 561 -2.535 10.623 -8.655 1.00 1.38 C ATOM 430 CE LYS A 561 -1.111 11.128 -8.394 1.00 1.52 C ATOM 431 NZ LYS A 561 -0.408 11.512 -9.633 1.00 1.97 N ATOM 0 H LYS A 561 -0.053 8.499 -5.820 1.00 0.75 H new ATOM 0 HA LYS A 561 -1.540 10.999 -5.697 1.00 0.83 H new ATOM 0 HB2 LYS A 561 -1.916 8.565 -7.128 1.00 1.13 H new ATOM 0 HB3 LYS A 561 -3.203 8.608 -5.940 1.00 1.13 H new ATOM 0 HG2 LYS A 561 -4.236 9.810 -7.609 1.00 1.04 H new ATOM 0 HG3 LYS A 561 -3.452 11.135 -6.773 1.00 1.04 H new ATOM 0 HD2 LYS A 561 -2.496 9.760 -9.320 1.00 1.38 H new ATOM 0 HD3 LYS A 561 -3.104 11.397 -9.171 1.00 1.38 H new ATOM 0 HE2 LYS A 561 -1.151 11.986 -7.723 1.00 1.52 H new ATOM 0 HE3 LYS A 561 -0.542 10.351 -7.884 1.00 1.52 H new ATOM 0 HZ1 LYS A 561 0.619 11.502 -9.467 1.00 1.97 H new ATOM 0 HZ2 LYS A 561 -0.643 10.838 -10.389 1.00 1.97 H new ATOM 0 HZ3 LYS A 561 -0.703 12.468 -9.918 1.00 1.97 H new ATOM 445 N PHE A 562 -2.740 10.823 -3.611 1.00 0.86 N ATOM 446 CA PHE A 562 -3.463 10.929 -2.341 1.00 0.92 C ATOM 447 C PHE A 562 -4.966 10.916 -2.633 1.00 0.86 C ATOM 448 O PHE A 562 -5.419 11.576 -3.574 1.00 0.94 O ATOM 449 CB PHE A 562 -2.995 12.195 -1.595 1.00 1.17 C ATOM 450 CG PHE A 562 -4.040 12.942 -0.780 1.00 0.99 C ATOM 451 CD1 PHE A 562 -4.851 13.905 -1.413 1.00 1.77 C ATOM 452 CD2 PHE A 562 -4.172 12.735 0.607 1.00 2.39 C ATOM 453 CE1 PHE A 562 -5.769 14.666 -0.670 1.00 1.62 C ATOM 454 CE2 PHE A 562 -5.074 13.514 1.355 1.00 2.82 C ATOM 455 CZ PHE A 562 -5.872 14.481 0.719 1.00 1.64 C ATOM 0 H PHE A 562 -2.790 11.689 -4.148 1.00 0.86 H new ATOM 0 HA PHE A 562 -3.252 10.084 -1.686 1.00 0.92 H new ATOM 0 HB2 PHE A 562 -2.182 11.913 -0.926 1.00 1.17 H new ATOM 0 HB3 PHE A 562 -2.580 12.886 -2.328 1.00 1.17 H new ATOM 0 HD1 PHE A 562 -4.766 14.059 -2.479 1.00 1.77 H new ATOM 0 HD2 PHE A 562 -3.580 11.977 1.097 1.00 2.39 H new ATOM 0 HE1 PHE A 562 -6.395 15.393 -1.166 1.00 1.62 H new ATOM 0 HE2 PHE A 562 -5.154 13.368 2.422 1.00 2.82 H new ATOM 0 HZ PHE A 562 -6.562 15.079 1.296 1.00 1.64 H new ATOM 465 N GLU A 563 -5.733 10.169 -1.834 1.00 0.78 N ATOM 466 CA GLU A 563 -7.195 10.088 -1.995 1.00 0.78 C ATOM 467 C GLU A 563 -7.945 10.113 -0.665 1.00 0.73 C ATOM 468 O GLU A 563 -7.451 9.658 0.359 1.00 0.72 O ATOM 469 CB GLU A 563 -7.605 8.819 -2.762 1.00 0.83 C ATOM 470 CG GLU A 563 -7.220 8.867 -4.241 1.00 1.95 C ATOM 471 CD GLU A 563 -7.929 7.762 -5.028 1.00 1.90 C ATOM 472 OE1 GLU A 563 -7.875 6.574 -4.629 1.00 2.67 O ATOM 473 OE2 GLU A 563 -8.563 8.049 -6.070 1.00 2.60 O ATOM 0 H GLU A 563 -5.368 9.608 -1.065 1.00 0.78 H new ATOM 0 HA GLU A 563 -7.472 10.976 -2.563 1.00 0.78 H new ATOM 0 HB2 GLU A 563 -7.135 7.952 -2.297 1.00 0.83 H new ATOM 0 HB3 GLU A 563 -8.683 8.681 -2.677 1.00 0.83 H new ATOM 0 HG2 GLU A 563 -7.481 9.840 -4.657 1.00 1.95 H new ATOM 0 HG3 GLU A 563 -6.140 8.756 -4.343 1.00 1.95 H new ATOM 480 N VAL A 564 -9.183 10.597 -0.685 1.00 0.76 N ATOM 481 CA VAL A 564 -10.069 10.636 0.484 1.00 0.72 C ATOM 482 C VAL A 564 -11.348 9.832 0.247 1.00 0.73 C ATOM 483 O VAL A 564 -11.866 9.763 -0.872 1.00 0.76 O ATOM 484 CB VAL A 564 -10.369 12.092 0.874 1.00 0.77 C ATOM 485 CG1 VAL A 564 -11.211 12.216 2.133 1.00 0.83 C ATOM 486 CG2 VAL A 564 -9.080 12.894 1.111 1.00 0.79 C ATOM 0 H VAL A 564 -9.611 10.981 -1.527 1.00 0.76 H new ATOM 0 HA VAL A 564 -9.556 10.162 1.321 1.00 0.72 H new ATOM 0 HB VAL A 564 -10.927 12.491 0.027 1.00 0.77 H new ATOM 0 HG11 VAL A 564 -11.386 13.269 2.352 1.00 0.83 H new ATOM 0 HG12 VAL A 564 -12.166 11.713 1.983 1.00 0.83 H new ATOM 0 HG13 VAL A 564 -10.686 11.754 2.969 1.00 0.83 H new ATOM 0 HG21 VAL A 564 -9.334 13.918 1.385 1.00 0.79 H new ATOM 0 HG22 VAL A 564 -8.508 12.434 1.917 1.00 0.79 H new ATOM 0 HG23 VAL A 564 -8.482 12.900 0.200 1.00 0.79 H new ATOM 496 N PHE A 565 -11.886 9.265 1.325 1.00 0.75 N ATOM 497 CA PHE A 565 -13.231 8.677 1.390 1.00 0.83 C ATOM 498 C PHE A 565 -14.043 9.265 2.557 1.00 0.90 C ATOM 499 O PHE A 565 -13.480 9.671 3.572 1.00 0.97 O ATOM 500 CB PHE A 565 -13.120 7.155 1.518 1.00 0.82 C ATOM 501 CG PHE A 565 -12.593 6.450 0.280 1.00 0.77 C ATOM 502 CD1 PHE A 565 -11.207 6.382 0.026 1.00 1.90 C ATOM 503 CD2 PHE A 565 -13.493 5.796 -0.583 1.00 2.10 C ATOM 504 CE1 PHE A 565 -10.733 5.636 -1.067 1.00 1.83 C ATOM 505 CE2 PHE A 565 -13.013 5.048 -1.673 1.00 2.15 C ATOM 506 CZ PHE A 565 -11.632 4.949 -1.899 1.00 0.76 C ATOM 0 H PHE A 565 -11.384 9.198 2.210 1.00 0.75 H new ATOM 0 HA PHE A 565 -13.762 8.921 0.470 1.00 0.83 H new ATOM 0 HB2 PHE A 565 -12.466 6.922 2.358 1.00 0.82 H new ATOM 0 HB3 PHE A 565 -14.104 6.752 1.758 1.00 0.82 H new ATOM 0 HD1 PHE A 565 -10.512 6.902 0.669 1.00 1.90 H new ATOM 0 HD2 PHE A 565 -14.556 5.869 -0.407 1.00 2.10 H new ATOM 0 HE1 PHE A 565 -9.673 5.591 -1.268 1.00 1.83 H new ATOM 0 HE2 PHE A 565 -13.706 4.551 -2.335 1.00 2.15 H new ATOM 0 HZ PHE A 565 -11.260 4.344 -2.713 1.00 0.76 H new ATOM 516 N GLN A 566 -15.368 9.302 2.420 1.00 0.93 N ATOM 517 CA GLN A 566 -16.319 9.771 3.441 1.00 0.97 C ATOM 518 C GLN A 566 -16.792 8.605 4.348 1.00 0.92 C ATOM 519 O GLN A 566 -16.626 7.436 3.984 1.00 0.88 O ATOM 520 CB GLN A 566 -17.520 10.419 2.723 1.00 1.04 C ATOM 521 CG GLN A 566 -17.357 11.841 2.186 1.00 1.37 C ATOM 522 CD GLN A 566 -16.330 11.946 1.083 1.00 1.45 C ATOM 523 OE1 GLN A 566 -16.623 11.760 -0.094 1.00 2.81 O ATOM 524 NE2 GLN A 566 -15.104 12.249 1.421 1.00 1.04 N ATOM 0 H GLN A 566 -15.831 8.996 1.564 1.00 0.93 H new ATOM 0 HA GLN A 566 -15.828 10.500 4.085 1.00 0.97 H new ATOM 0 HB2 GLN A 566 -17.795 9.776 1.887 1.00 1.04 H new ATOM 0 HB3 GLN A 566 -18.362 10.419 3.415 1.00 1.04 H new ATOM 0 HG2 GLN A 566 -18.318 12.194 1.813 1.00 1.37 H new ATOM 0 HG3 GLN A 566 -17.070 12.501 3.005 1.00 1.37 H new ATOM 0 HE21 GLN A 566 -14.868 12.402 2.402 1.00 1.04 H new ATOM 0 HE22 GLN A 566 -14.383 12.332 0.704 1.00 1.04 H new ATOM 533 N PRO A 567 -17.428 8.879 5.508 1.00 0.99 N ATOM 534 CA PRO A 567 -17.894 7.830 6.418 1.00 1.03 C ATOM 535 C PRO A 567 -18.904 6.879 5.751 1.00 1.09 C ATOM 536 O PRO A 567 -19.883 7.331 5.148 1.00 1.21 O ATOM 537 CB PRO A 567 -18.533 8.554 7.615 1.00 1.15 C ATOM 538 CG PRO A 567 -18.045 10.000 7.524 1.00 1.16 C ATOM 539 CD PRO A 567 -17.764 10.196 6.040 1.00 1.10 C ATOM 0 HA PRO A 567 -17.059 7.200 6.724 1.00 1.03 H new ATOM 0 HB2 PRO A 567 -19.621 8.503 7.570 1.00 1.15 H new ATOM 0 HB3 PRO A 567 -18.232 8.096 8.557 1.00 1.15 H new ATOM 0 HG2 PRO A 567 -18.799 10.700 7.884 1.00 1.16 H new ATOM 0 HG3 PRO A 567 -17.150 10.159 8.125 1.00 1.16 H new ATOM 0 HD2 PRO A 567 -18.634 10.610 5.531 1.00 1.10 H new ATOM 0 HD3 PRO A 567 -16.943 10.897 5.889 1.00 1.10 H new ATOM 547 N GLY A 568 -18.698 5.566 5.889 1.00 1.06 N ATOM 548 CA GLY A 568 -19.636 4.513 5.494 1.00 1.14 C ATOM 549 C GLY A 568 -19.322 3.886 4.135 1.00 1.10 C ATOM 550 O GLY A 568 -19.960 2.896 3.770 1.00 1.24 O ATOM 0 H GLY A 568 -17.839 5.194 6.295 1.00 1.06 H new ATOM 0 HA2 GLY A 568 -19.632 3.732 6.254 1.00 1.14 H new ATOM 0 HA3 GLY A 568 -20.644 4.928 5.468 1.00 1.14 H new ATOM 554 N ASP A 569 -18.354 4.424 3.388 1.00 0.97 N ATOM 555 CA ASP A 569 -18.065 4.045 2.012 1.00 0.96 C ATOM 556 C ASP A 569 -16.929 3.010 1.914 1.00 0.90 C ATOM 557 O ASP A 569 -15.975 3.019 2.695 1.00 0.85 O ATOM 558 CB ASP A 569 -17.805 5.322 1.195 1.00 1.02 C ATOM 559 CG ASP A 569 -17.702 5.116 -0.320 1.00 1.02 C ATOM 560 OD1 ASP A 569 -18.297 4.166 -0.884 1.00 1.38 O ATOM 561 OD2 ASP A 569 -17.022 5.933 -0.976 1.00 1.98 O ATOM 0 H ASP A 569 -17.735 5.155 3.738 1.00 0.97 H new ATOM 0 HA ASP A 569 -18.929 3.535 1.585 1.00 0.96 H new ATOM 0 HB2 ASP A 569 -18.607 6.032 1.396 1.00 1.02 H new ATOM 0 HB3 ASP A 569 -16.880 5.778 1.548 1.00 1.02 H new ATOM 566 N TYR A 570 -17.045 2.093 0.957 1.00 1.00 N ATOM 567 CA TYR A 570 -16.072 1.018 0.714 1.00 0.98 C ATOM 568 C TYR A 570 -14.782 1.568 0.082 1.00 0.94 C ATOM 569 O TYR A 570 -14.825 2.161 -1.001 1.00 1.09 O ATOM 570 CB TYR A 570 -16.704 -0.084 -0.149 1.00 1.19 C ATOM 571 CG TYR A 570 -17.666 -1.001 0.591 1.00 1.34 C ATOM 572 CD1 TYR A 570 -17.164 -2.124 1.279 1.00 1.93 C ATOM 573 CD2 TYR A 570 -19.055 -0.761 0.573 1.00 2.56 C ATOM 574 CE1 TYR A 570 -18.044 -3.009 1.932 1.00 2.08 C ATOM 575 CE2 TYR A 570 -19.941 -1.646 1.223 1.00 2.78 C ATOM 576 CZ TYR A 570 -19.434 -2.776 1.900 1.00 1.88 C ATOM 577 OH TYR A 570 -20.276 -3.656 2.507 1.00 2.22 O ATOM 0 H TYR A 570 -17.834 2.071 0.311 1.00 1.00 H new ATOM 0 HA TYR A 570 -15.794 0.578 1.672 1.00 0.98 H new ATOM 0 HB2 TYR A 570 -17.235 0.383 -0.978 1.00 1.19 H new ATOM 0 HB3 TYR A 570 -15.907 -0.689 -0.581 1.00 1.19 H new ATOM 0 HD1 TYR A 570 -16.100 -2.307 1.306 1.00 1.93 H new ATOM 0 HD2 TYR A 570 -19.443 0.106 0.059 1.00 2.56 H new ATOM 0 HE1 TYR A 570 -17.653 -3.867 2.458 1.00 2.08 H new ATOM 0 HE2 TYR A 570 -21.005 -1.459 1.203 1.00 2.78 H new ATOM 0 HH TYR A 570 -21.201 -3.353 2.396 1.00 2.22 H new ATOM 587 N ILE A 571 -13.632 1.356 0.739 1.00 0.83 N ATOM 588 CA ILE A 571 -12.370 2.051 0.402 1.00 0.93 C ATOM 589 C ILE A 571 -11.523 1.394 -0.699 1.00 1.12 C ATOM 590 O ILE A 571 -10.647 2.039 -1.268 1.00 1.42 O ATOM 591 CB ILE A 571 -11.525 2.383 1.658 1.00 0.93 C ATOM 592 CG1 ILE A 571 -11.292 1.300 2.727 1.00 1.16 C ATOM 593 CG2 ILE A 571 -12.178 3.508 2.442 1.00 0.93 C ATOM 594 CD1 ILE A 571 -10.360 0.220 2.239 1.00 1.14 C ATOM 0 H ILE A 571 -13.545 0.702 1.517 1.00 0.83 H new ATOM 0 HA ILE A 571 -12.705 2.989 -0.040 1.00 0.93 H new ATOM 0 HB ILE A 571 -10.562 2.590 1.190 1.00 0.93 H new ATOM 0 HG12 ILE A 571 -10.877 1.759 3.625 1.00 1.16 H new ATOM 0 HG13 ILE A 571 -12.247 0.856 3.008 1.00 1.16 H new ATOM 0 HG21 ILE A 571 -11.577 3.734 3.323 1.00 0.93 H new ATOM 0 HG22 ILE A 571 -12.249 4.396 1.814 1.00 0.93 H new ATOM 0 HG23 ILE A 571 -13.177 3.203 2.753 1.00 0.93 H new ATOM 0 HD11 ILE A 571 -10.223 -0.524 3.024 1.00 1.14 H new ATOM 0 HD12 ILE A 571 -10.787 -0.258 1.357 1.00 1.14 H new ATOM 0 HD13 ILE A 571 -9.396 0.660 1.983 1.00 1.14 H new ATOM 606 N ILE A 572 -11.760 0.116 -0.999 1.00 1.09 N ATOM 607 CA ILE A 572 -10.948 -0.698 -1.915 1.00 1.28 C ATOM 608 C ILE A 572 -11.659 -1.127 -3.198 1.00 1.91 C ATOM 609 O ILE A 572 -12.888 -1.143 -3.269 1.00 2.56 O ATOM 610 CB ILE A 572 -10.395 -1.867 -1.074 1.00 1.17 C ATOM 611 CG1 ILE A 572 -9.104 -1.307 -0.460 1.00 1.37 C ATOM 612 CG2 ILE A 572 -10.147 -3.191 -1.803 1.00 1.27 C ATOM 613 CD1 ILE A 572 -8.623 -2.018 0.794 1.00 1.34 C ATOM 0 H ILE A 572 -12.545 -0.400 -0.601 1.00 1.09 H new ATOM 0 HA ILE A 572 -10.133 -0.099 -2.321 1.00 1.28 H new ATOM 0 HB ILE A 572 -11.149 -2.169 -0.347 1.00 1.17 H new ATOM 0 HG12 ILE A 572 -8.314 -1.353 -1.210 1.00 1.37 H new ATOM 0 HG13 ILE A 572 -9.259 -0.254 -0.225 1.00 1.37 H new ATOM 0 HG21 ILE A 572 -9.759 -3.927 -1.099 1.00 1.27 H new ATOM 0 HG22 ILE A 572 -11.083 -3.553 -2.228 1.00 1.27 H new ATOM 0 HG23 ILE A 572 -9.422 -3.036 -2.602 1.00 1.27 H new ATOM 0 HD11 ILE A 572 -7.706 -1.548 1.150 1.00 1.34 H new ATOM 0 HD12 ILE A 572 -9.389 -1.951 1.567 1.00 1.34 H new ATOM 0 HD13 ILE A 572 -8.429 -3.066 0.566 1.00 1.34 H new ATOM 625 N ARG A 573 -10.846 -1.489 -4.199 1.00 2.10 N ATOM 626 CA ARG A 573 -11.239 -2.055 -5.494 1.00 2.79 C ATOM 627 C ARG A 573 -10.388 -3.277 -5.874 1.00 2.23 C ATOM 628 O ARG A 573 -9.510 -3.679 -5.111 1.00 2.11 O ATOM 629 CB ARG A 573 -11.206 -0.958 -6.578 1.00 4.04 C ATOM 630 CG ARG A 573 -12.152 0.218 -6.284 1.00 5.23 C ATOM 631 CD ARG A 573 -12.164 1.198 -7.461 1.00 6.97 C ATOM 632 NE ARG A 573 -13.039 2.353 -7.198 1.00 7.94 N ATOM 633 CZ ARG A 573 -12.733 3.478 -6.575 1.00 9.48 C ATOM 634 NH1 ARG A 573 -11.569 3.696 -6.039 1.00 10.41 N ATOM 635 NH2 ARG A 573 -13.630 4.411 -6.479 1.00 10.42 N ATOM 0 H ARG A 573 -9.834 -1.388 -4.120 1.00 2.10 H new ATOM 0 HA ARG A 573 -12.262 -2.421 -5.412 1.00 2.79 H new ATOM 0 HB2 ARG A 573 -10.188 -0.581 -6.672 1.00 4.04 H new ATOM 0 HB3 ARG A 573 -11.473 -1.398 -7.539 1.00 4.04 H new ATOM 0 HG2 ARG A 573 -13.160 -0.154 -6.102 1.00 5.23 H new ATOM 0 HG3 ARG A 573 -11.833 0.732 -5.377 1.00 5.23 H new ATOM 0 HD2 ARG A 573 -11.150 1.546 -7.655 1.00 6.97 H new ATOM 0 HD3 ARG A 573 -12.502 0.683 -8.360 1.00 6.97 H new ATOM 0 HE ARG A 573 -13.998 2.275 -7.538 1.00 7.94 H new ATOM 0 HH11 ARG A 573 -10.843 2.981 -6.089 1.00 10.41 H new ATOM 0 HH12 ARG A 573 -11.382 4.582 -5.569 1.00 10.41 H new ATOM 0 HH21 ARG A 573 -14.557 4.271 -6.881 1.00 10.42 H new ATOM 0 HH22 ARG A 573 -13.408 5.284 -6.001 1.00 10.42 H new ATOM 649 N GLU A 574 -10.723 -3.911 -6.998 1.00 2.90 N ATOM 650 CA GLU A 574 -10.193 -5.189 -7.515 1.00 2.37 C ATOM 651 C GLU A 574 -8.669 -5.414 -7.391 1.00 3.23 C ATOM 652 O GLU A 574 -7.877 -4.472 -7.391 1.00 5.13 O ATOM 653 CB GLU A 574 -10.720 -5.367 -8.956 1.00 4.26 C ATOM 654 CG GLU A 574 -10.759 -6.805 -9.486 1.00 4.36 C ATOM 655 CD GLU A 574 -11.660 -7.711 -8.639 1.00 4.48 C ATOM 656 OE1 GLU A 574 -12.904 -7.703 -8.809 1.00 5.62 O ATOM 657 OE2 GLU A 574 -11.110 -8.436 -7.779 1.00 4.49 O ATOM 0 H GLU A 574 -11.426 -3.520 -7.625 1.00 2.90 H new ATOM 0 HA GLU A 574 -10.566 -5.977 -6.860 1.00 2.37 H new ATOM 0 HB2 GLU A 574 -11.728 -4.955 -9.006 1.00 4.26 H new ATOM 0 HB3 GLU A 574 -10.099 -4.771 -9.625 1.00 4.26 H new ATOM 0 HG2 GLU A 574 -11.116 -6.801 -10.516 1.00 4.36 H new ATOM 0 HG3 GLU A 574 -9.748 -7.212 -9.501 1.00 4.36 H new ATOM 664 N GLY A 575 -8.250 -6.684 -7.299 1.00 2.79 N ATOM 665 CA GLY A 575 -6.853 -7.121 -7.220 1.00 4.70 C ATOM 666 C GLY A 575 -6.469 -8.073 -8.356 1.00 4.18 C ATOM 667 O GLY A 575 -5.622 -8.950 -8.166 1.00 5.71 O ATOM 0 H GLY A 575 -8.905 -7.466 -7.277 1.00 2.79 H new ATOM 0 HA2 GLY A 575 -6.201 -6.248 -7.246 1.00 4.70 H new ATOM 0 HA3 GLY A 575 -6.684 -7.616 -6.264 1.00 4.70 H new ATOM 671 N THR A 576 -7.106 -7.925 -9.524 1.00 2.28 N ATOM 672 CA THR A 576 -6.654 -8.514 -10.792 1.00 2.00 C ATOM 673 C THR A 576 -5.212 -8.110 -11.086 1.00 1.74 C ATOM 674 O THR A 576 -4.709 -7.094 -10.594 1.00 2.19 O ATOM 675 CB THR A 576 -7.558 -8.119 -11.970 1.00 2.18 C ATOM 676 OG1 THR A 576 -8.017 -6.798 -11.832 1.00 2.60 O ATOM 677 CG2 THR A 576 -8.800 -8.995 -12.068 1.00 3.77 C ATOM 0 H THR A 576 -7.965 -7.383 -9.617 1.00 2.28 H new ATOM 0 HA THR A 576 -6.711 -9.597 -10.679 1.00 2.00 H new ATOM 0 HB THR A 576 -6.942 -8.239 -12.861 1.00 2.18 H new ATOM 0 HG1 THR A 576 -8.710 -6.621 -12.502 1.00 2.60 H new ATOM 0 HG21 THR A 576 -9.405 -8.675 -12.916 1.00 3.77 H new ATOM 0 HG22 THR A 576 -8.502 -10.034 -12.206 1.00 3.77 H new ATOM 0 HG23 THR A 576 -9.383 -8.904 -11.152 1.00 3.77 H new ATOM 685 N ILE A 577 -4.502 -8.954 -11.832 1.00 1.70 N ATOM 686 CA ILE A 577 -3.040 -8.954 -11.800 1.00 1.74 C ATOM 687 C ILE A 577 -2.514 -7.630 -12.375 1.00 1.68 C ATOM 688 O ILE A 577 -2.860 -7.243 -13.495 1.00 1.83 O ATOM 689 CB ILE A 577 -2.457 -10.212 -12.486 1.00 1.99 C ATOM 690 CG1 ILE A 577 -2.672 -11.499 -11.641 1.00 2.34 C ATOM 691 CG2 ILE A 577 -0.945 -10.035 -12.718 1.00 2.18 C ATOM 692 CD1 ILE A 577 -4.128 -11.942 -11.469 1.00 2.49 C ATOM 0 H ILE A 577 -4.912 -9.643 -12.463 1.00 1.70 H new ATOM 0 HA ILE A 577 -2.695 -9.014 -10.768 1.00 1.74 H new ATOM 0 HB ILE A 577 -2.985 -10.325 -13.433 1.00 1.99 H new ATOM 0 HG12 ILE A 577 -2.115 -12.314 -12.104 1.00 2.34 H new ATOM 0 HG13 ILE A 577 -2.240 -11.340 -10.653 1.00 2.34 H new ATOM 0 HG21 ILE A 577 -0.544 -10.926 -13.201 1.00 2.18 H new ATOM 0 HG22 ILE A 577 -0.774 -9.168 -13.356 1.00 2.18 H new ATOM 0 HG23 ILE A 577 -0.445 -9.886 -11.761 1.00 2.18 H new ATOM 0 HD11 ILE A 577 -4.164 -12.848 -10.864 1.00 2.49 H new ATOM 0 HD12 ILE A 577 -4.692 -11.152 -10.973 1.00 2.49 H new ATOM 0 HD13 ILE A 577 -4.566 -12.141 -12.447 1.00 2.49 H new ATOM 704 N GLY A 578 -1.685 -6.933 -11.597 1.00 1.76 N ATOM 705 CA GLY A 578 -1.035 -5.680 -11.961 1.00 1.93 C ATOM 706 C GLY A 578 -1.709 -4.427 -11.372 1.00 1.76 C ATOM 707 O GLY A 578 -1.186 -3.321 -11.549 1.00 1.94 O ATOM 0 H GLY A 578 -1.440 -7.242 -10.656 1.00 1.76 H new ATOM 0 HA2 GLY A 578 0.003 -5.711 -11.628 1.00 1.93 H new ATOM 0 HA3 GLY A 578 -1.019 -5.594 -13.047 1.00 1.93 H new ATOM 711 N LYS A 579 -2.824 -4.586 -10.635 1.00 1.72 N ATOM 712 CA LYS A 579 -3.510 -3.497 -9.916 1.00 1.69 C ATOM 713 C LYS A 579 -2.702 -2.930 -8.724 1.00 1.33 C ATOM 714 O LYS A 579 -1.674 -3.485 -8.329 1.00 1.40 O ATOM 715 CB LYS A 579 -4.948 -3.928 -9.531 1.00 2.12 C ATOM 716 CG LYS A 579 -5.905 -3.899 -10.740 1.00 3.51 C ATOM 717 CD LYS A 579 -7.400 -3.949 -10.355 1.00 3.66 C ATOM 718 CE LYS A 579 -8.308 -3.747 -11.580 1.00 5.29 C ATOM 719 NZ LYS A 579 -8.173 -2.406 -12.192 1.00 6.10 N ATOM 0 H LYS A 579 -3.281 -5.491 -10.521 1.00 1.72 H new ATOM 0 HA LYS A 579 -3.587 -2.655 -10.604 1.00 1.69 H new ATOM 0 HB2 LYS A 579 -4.925 -4.934 -9.112 1.00 2.12 H new ATOM 0 HB3 LYS A 579 -5.328 -3.267 -8.752 1.00 2.12 H new ATOM 0 HG2 LYS A 579 -5.718 -2.993 -11.317 1.00 3.51 H new ATOM 0 HG3 LYS A 579 -5.679 -4.744 -11.391 1.00 3.51 H new ATOM 0 HD2 LYS A 579 -7.624 -4.909 -9.890 1.00 3.66 H new ATOM 0 HD3 LYS A 579 -7.611 -3.178 -9.614 1.00 3.66 H new ATOM 0 HE2 LYS A 579 -8.073 -4.505 -12.327 1.00 5.29 H new ATOM 0 HE3 LYS A 579 -9.346 -3.901 -11.284 1.00 5.29 H new ATOM 0 HZ1 LYS A 579 -8.953 -2.250 -12.863 1.00 6.10 H new ATOM 0 HZ2 LYS A 579 -8.206 -1.680 -11.448 1.00 6.10 H new ATOM 0 HZ3 LYS A 579 -7.265 -2.344 -12.696 1.00 6.10 H new ATOM 733 N LYS A 580 -3.162 -1.808 -8.159 1.00 1.14 N ATOM 734 CA LYS A 580 -2.436 -0.940 -7.208 1.00 1.05 C ATOM 735 C LYS A 580 -2.530 -1.383 -5.742 1.00 0.99 C ATOM 736 O LYS A 580 -3.358 -2.219 -5.383 1.00 1.18 O ATOM 737 CB LYS A 580 -3.010 0.484 -7.297 1.00 1.30 C ATOM 738 CG LYS A 580 -2.831 1.152 -8.664 1.00 1.63 C ATOM 739 CD LYS A 580 -3.170 2.645 -8.555 1.00 2.40 C ATOM 740 CE LYS A 580 -4.626 2.938 -8.154 1.00 3.08 C ATOM 741 NZ LYS A 580 -5.606 2.298 -9.061 1.00 3.43 N ATOM 0 H LYS A 580 -4.099 -1.458 -8.359 1.00 1.14 H new ATOM 0 HA LYS A 580 -1.386 -0.997 -7.496 1.00 1.05 H new ATOM 0 HB2 LYS A 580 -4.073 0.450 -7.059 1.00 1.30 H new ATOM 0 HB3 LYS A 580 -2.533 1.104 -6.538 1.00 1.30 H new ATOM 0 HG2 LYS A 580 -1.805 1.026 -9.010 1.00 1.63 H new ATOM 0 HG3 LYS A 580 -3.477 0.675 -9.401 1.00 1.63 H new ATOM 0 HD2 LYS A 580 -2.505 3.104 -7.823 1.00 2.40 H new ATOM 0 HD3 LYS A 580 -2.967 3.122 -9.514 1.00 2.40 H new ATOM 0 HE2 LYS A 580 -4.796 2.588 -7.136 1.00 3.08 H new ATOM 0 HE3 LYS A 580 -4.789 4.016 -8.152 1.00 3.08 H new ATOM 0 HZ1 LYS A 580 -6.567 2.595 -8.798 1.00 3.43 H new ATOM 0 HZ2 LYS A 580 -5.411 2.585 -10.041 1.00 3.43 H new ATOM 0 HZ3 LYS A 580 -5.529 1.264 -8.981 1.00 3.43 H new ATOM 755 N MET A 581 -1.691 -0.768 -4.902 1.00 0.95 N ATOM 756 CA MET A 581 -1.624 -0.952 -3.446 1.00 1.00 C ATOM 757 C MET A 581 -2.065 0.319 -2.689 1.00 0.80 C ATOM 758 O MET A 581 -1.866 1.436 -3.173 1.00 0.73 O ATOM 759 CB MET A 581 -0.196 -1.416 -3.105 1.00 1.27 C ATOM 760 CG MET A 581 0.022 -1.749 -1.628 1.00 1.76 C ATOM 761 SD MET A 581 0.463 -0.329 -0.590 1.00 1.83 S ATOM 762 CE MET A 581 0.393 -1.095 1.051 1.00 1.50 C ATOM 0 H MET A 581 -1.003 -0.092 -5.236 1.00 0.95 H new ATOM 0 HA MET A 581 -2.328 -1.716 -3.116 1.00 1.00 H new ATOM 0 HB2 MET A 581 0.040 -2.297 -3.703 1.00 1.27 H new ATOM 0 HB3 MET A 581 0.507 -0.635 -3.397 1.00 1.27 H new ATOM 0 HG2 MET A 581 -0.887 -2.202 -1.233 1.00 1.76 H new ATOM 0 HG3 MET A 581 0.811 -2.498 -1.551 1.00 1.76 H new ATOM 0 HE1 MET A 581 0.792 -0.403 1.793 1.00 1.50 H new ATOM 0 HE2 MET A 581 -0.642 -1.334 1.297 1.00 1.50 H new ATOM 0 HE3 MET A 581 0.986 -2.009 1.051 1.00 1.50 H new ATOM 772 N TYR A 582 -2.672 0.146 -1.504 1.00 0.82 N ATOM 773 CA TYR A 582 -3.311 1.220 -0.728 1.00 0.76 C ATOM 774 C TYR A 582 -2.937 1.194 0.767 1.00 0.80 C ATOM 775 O TYR A 582 -2.855 0.126 1.391 1.00 0.90 O ATOM 776 CB TYR A 582 -4.841 1.145 -0.882 1.00 0.76 C ATOM 777 CG TYR A 582 -5.350 0.971 -2.299 1.00 0.96 C ATOM 778 CD1 TYR A 582 -5.543 2.091 -3.128 1.00 2.05 C ATOM 779 CD2 TYR A 582 -5.641 -0.320 -2.785 1.00 2.15 C ATOM 780 CE1 TYR A 582 -6.041 1.926 -4.434 1.00 2.31 C ATOM 781 CE2 TYR A 582 -6.121 -0.489 -4.097 1.00 2.38 C ATOM 782 CZ TYR A 582 -6.324 0.636 -4.925 1.00 1.74 C ATOM 783 OH TYR A 582 -6.800 0.488 -6.190 1.00 2.19 O ATOM 0 H TYR A 582 -2.733 -0.765 -1.049 1.00 0.82 H new ATOM 0 HA TYR A 582 -2.937 2.160 -1.133 1.00 0.76 H new ATOM 0 HB2 TYR A 582 -5.208 0.315 -0.279 1.00 0.76 H new ATOM 0 HB3 TYR A 582 -5.275 2.056 -0.469 1.00 0.76 H new ATOM 0 HD1 TYR A 582 -5.309 3.080 -2.762 1.00 2.05 H new ATOM 0 HD2 TYR A 582 -5.495 -1.181 -2.149 1.00 2.15 H new ATOM 0 HE1 TYR A 582 -6.207 2.790 -5.061 1.00 2.31 H new ATOM 0 HE2 TYR A 582 -6.334 -1.480 -4.470 1.00 2.38 H new ATOM 0 HH TYR A 582 -6.943 -0.463 -6.376 1.00 2.19 H new ATOM 793 N PHE A 583 -2.779 2.383 1.362 1.00 0.75 N ATOM 794 CA PHE A 583 -2.409 2.554 2.775 1.00 0.76 C ATOM 795 C PHE A 583 -2.992 3.836 3.404 1.00 0.71 C ATOM 796 O PHE A 583 -3.442 4.739 2.694 1.00 0.73 O ATOM 797 CB PHE A 583 -0.881 2.428 2.922 1.00 0.83 C ATOM 798 CG PHE A 583 -0.012 3.526 2.330 1.00 1.03 C ATOM 799 CD1 PHE A 583 0.258 4.700 3.061 1.00 2.20 C ATOM 800 CD2 PHE A 583 0.628 3.320 1.092 1.00 1.95 C ATOM 801 CE1 PHE A 583 1.184 5.642 2.571 1.00 2.52 C ATOM 802 CE2 PHE A 583 1.558 4.257 0.606 1.00 2.18 C ATOM 803 CZ PHE A 583 1.852 5.410 1.355 1.00 1.86 C ATOM 0 H PHE A 583 -2.906 3.267 0.869 1.00 0.75 H new ATOM 0 HA PHE A 583 -2.868 1.753 3.354 1.00 0.76 H new ATOM 0 HB2 PHE A 583 -0.653 2.359 3.986 1.00 0.83 H new ATOM 0 HB3 PHE A 583 -0.579 1.483 2.469 1.00 0.83 H new ATOM 0 HD1 PHE A 583 -0.246 4.878 3.999 1.00 2.20 H new ATOM 0 HD2 PHE A 583 0.403 2.437 0.512 1.00 1.95 H new ATOM 0 HE1 PHE A 583 1.381 6.544 3.130 1.00 2.52 H new ATOM 0 HE2 PHE A 583 2.046 4.091 -0.343 1.00 2.18 H new ATOM 0 HZ PHE A 583 2.588 6.115 0.998 1.00 1.86 H new ATOM 813 N ILE A 584 -3.058 3.891 4.742 1.00 0.67 N ATOM 814 CA ILE A 584 -3.869 4.870 5.488 1.00 0.65 C ATOM 815 C ILE A 584 -3.021 6.058 5.967 1.00 0.70 C ATOM 816 O ILE A 584 -2.174 5.893 6.844 1.00 0.74 O ATOM 817 CB ILE A 584 -4.634 4.172 6.648 1.00 0.65 C ATOM 818 CG1 ILE A 584 -5.350 2.896 6.139 1.00 0.67 C ATOM 819 CG2 ILE A 584 -5.664 5.151 7.258 1.00 0.62 C ATOM 820 CD1 ILE A 584 -6.161 2.154 7.197 1.00 0.69 C ATOM 0 H ILE A 584 -2.544 3.250 5.346 1.00 0.67 H new ATOM 0 HA ILE A 584 -4.616 5.286 4.812 1.00 0.65 H new ATOM 0 HB ILE A 584 -3.916 3.881 7.415 1.00 0.65 H new ATOM 0 HG12 ILE A 584 -6.014 3.171 5.319 1.00 0.67 H new ATOM 0 HG13 ILE A 584 -4.603 2.216 5.730 1.00 0.67 H new ATOM 0 HG21 ILE A 584 -6.198 4.658 8.070 1.00 0.62 H new ATOM 0 HG22 ILE A 584 -5.147 6.029 7.644 1.00 0.62 H new ATOM 0 HG23 ILE A 584 -6.374 5.457 6.490 1.00 0.62 H new ATOM 0 HD11 ILE A 584 -6.626 1.275 6.749 1.00 0.69 H new ATOM 0 HD12 ILE A 584 -5.503 1.843 8.008 1.00 0.69 H new ATOM 0 HD13 ILE A 584 -6.935 2.813 7.591 1.00 0.69 H new ATOM 832 N GLN A 585 -3.273 7.263 5.435 1.00 0.76 N ATOM 833 CA GLN A 585 -2.555 8.490 5.822 1.00 0.85 C ATOM 834 C GLN A 585 -3.064 9.005 7.175 1.00 0.85 C ATOM 835 O GLN A 585 -2.276 9.195 8.099 1.00 0.94 O ATOM 836 CB GLN A 585 -2.696 9.574 4.727 1.00 1.03 C ATOM 837 CG GLN A 585 -1.809 10.818 4.959 1.00 1.34 C ATOM 838 CD GLN A 585 -2.340 12.077 4.262 1.00 1.84 C ATOM 839 OE1 GLN A 585 -1.958 12.429 3.156 1.00 2.80 O ATOM 840 NE2 GLN A 585 -3.231 12.806 4.899 1.00 2.23 N ATOM 0 H GLN A 585 -3.984 7.416 4.720 1.00 0.76 H new ATOM 0 HA GLN A 585 -1.496 8.253 5.925 1.00 0.85 H new ATOM 0 HB2 GLN A 585 -2.445 9.136 3.761 1.00 1.03 H new ATOM 0 HB3 GLN A 585 -3.738 9.888 4.673 1.00 1.03 H new ATOM 0 HG2 GLN A 585 -1.733 11.008 6.030 1.00 1.34 H new ATOM 0 HG3 GLN A 585 -0.801 10.610 4.600 1.00 1.34 H new ATOM 0 HE21 GLN A 585 -3.557 12.521 5.823 1.00 2.23 H new ATOM 0 HE22 GLN A 585 -3.596 13.656 4.469 1.00 2.23 H new ATOM 849 N HIS A 586 -4.376 9.226 7.303 1.00 0.79 N ATOM 850 CA HIS A 586 -4.998 9.733 8.528 1.00 0.79 C ATOM 851 C HIS A 586 -6.501 9.415 8.571 1.00 0.77 C ATOM 852 O HIS A 586 -7.253 9.851 7.699 1.00 0.79 O ATOM 853 CB HIS A 586 -4.751 11.248 8.642 1.00 0.85 C ATOM 854 CG HIS A 586 -5.120 11.811 9.990 1.00 1.19 C ATOM 855 ND1 HIS A 586 -5.992 12.846 10.227 1.00 2.33 N ATOM 856 CD2 HIS A 586 -4.611 11.430 11.204 1.00 2.08 C ATOM 857 CE1 HIS A 586 -6.015 13.086 11.546 1.00 2.43 C ATOM 858 NE2 HIS A 586 -5.200 12.232 12.190 1.00 2.17 N ATOM 0 H HIS A 586 -5.043 9.056 6.550 1.00 0.79 H new ATOM 0 HA HIS A 586 -4.542 9.232 9.382 1.00 0.79 H new ATOM 0 HB2 HIS A 586 -3.699 11.454 8.446 1.00 0.85 H new ATOM 0 HB3 HIS A 586 -5.325 11.762 7.871 1.00 0.85 H new ATOM 0 HD2 HIS A 586 -3.884 10.649 11.371 1.00 2.08 H new ATOM 0 HE1 HIS A 586 -6.604 13.855 12.023 1.00 2.43 H new ATOM 0 HE2 HIS A 586 -5.042 12.179 13.196 1.00 2.17 H new ATOM 866 N GLY A 587 -6.945 8.656 9.576 1.00 0.81 N ATOM 867 CA GLY A 587 -8.353 8.373 9.852 1.00 0.90 C ATOM 868 C GLY A 587 -8.519 7.007 10.515 1.00 0.91 C ATOM 869 O GLY A 587 -7.571 6.495 11.122 1.00 1.03 O ATOM 0 H GLY A 587 -6.313 8.208 10.240 1.00 0.81 H new ATOM 0 HA2 GLY A 587 -8.763 9.148 10.500 1.00 0.90 H new ATOM 0 HA3 GLY A 587 -8.922 8.401 8.923 1.00 0.90 H new ATOM 873 N VAL A 588 -9.715 6.425 10.390 1.00 0.85 N ATOM 874 CA VAL A 588 -10.087 5.102 10.914 1.00 0.90 C ATOM 875 C VAL A 588 -10.997 4.379 9.908 1.00 0.90 C ATOM 876 O VAL A 588 -11.854 4.996 9.265 1.00 0.92 O ATOM 877 CB VAL A 588 -10.789 5.216 12.291 1.00 0.99 C ATOM 878 CG1 VAL A 588 -11.187 3.855 12.875 1.00 1.10 C ATOM 879 CG2 VAL A 588 -9.906 5.907 13.337 1.00 1.00 C ATOM 0 H VAL A 588 -10.485 6.880 9.900 1.00 0.85 H new ATOM 0 HA VAL A 588 -9.174 4.523 11.055 1.00 0.90 H new ATOM 0 HB VAL A 588 -11.681 5.808 12.089 1.00 0.99 H new ATOM 0 HG11 VAL A 588 -11.674 4.001 13.839 1.00 1.10 H new ATOM 0 HG12 VAL A 588 -11.874 3.354 12.194 1.00 1.10 H new ATOM 0 HG13 VAL A 588 -10.296 3.241 13.008 1.00 1.10 H new ATOM 0 HG21 VAL A 588 -10.441 5.963 14.285 1.00 1.00 H new ATOM 0 HG22 VAL A 588 -8.987 5.336 13.472 1.00 1.00 H new ATOM 0 HG23 VAL A 588 -9.661 6.914 12.998 1.00 1.00 H new ATOM 889 N VAL A 589 -10.836 3.062 9.774 1.00 0.89 N ATOM 890 CA VAL A 589 -11.648 2.195 8.897 1.00 0.89 C ATOM 891 C VAL A 589 -12.201 0.993 9.662 1.00 0.95 C ATOM 892 O VAL A 589 -11.564 0.503 10.588 1.00 1.01 O ATOM 893 CB VAL A 589 -10.870 1.749 7.641 1.00 0.89 C ATOM 894 CG1 VAL A 589 -10.373 2.955 6.829 1.00 0.88 C ATOM 895 CG2 VAL A 589 -9.681 0.844 7.975 1.00 0.89 C ATOM 0 H VAL A 589 -10.118 2.547 10.284 1.00 0.89 H new ATOM 0 HA VAL A 589 -12.494 2.791 8.554 1.00 0.89 H new ATOM 0 HB VAL A 589 -11.578 1.175 7.043 1.00 0.89 H new ATOM 0 HG11 VAL A 589 -9.829 2.604 5.952 1.00 0.88 H new ATOM 0 HG12 VAL A 589 -11.225 3.556 6.511 1.00 0.88 H new ATOM 0 HG13 VAL A 589 -9.711 3.562 7.447 1.00 0.88 H new ATOM 0 HG21 VAL A 589 -9.170 0.560 7.055 1.00 0.89 H new ATOM 0 HG22 VAL A 589 -8.988 1.378 8.625 1.00 0.89 H new ATOM 0 HG23 VAL A 589 -10.037 -0.052 8.483 1.00 0.89 H new ATOM 905 N SER A 590 -13.356 0.491 9.241 1.00 0.98 N ATOM 906 CA SER A 590 -14.090 -0.638 9.830 1.00 1.28 C ATOM 907 C SER A 590 -14.165 -1.765 8.805 1.00 1.40 C ATOM 908 O SER A 590 -14.519 -1.594 7.637 1.00 1.26 O ATOM 909 CB SER A 590 -15.509 -0.216 10.215 1.00 1.54 C ATOM 910 OG SER A 590 -15.456 0.846 11.139 1.00 1.68 O ATOM 0 H SER A 590 -13.839 0.880 8.431 1.00 0.98 H new ATOM 0 HA SER A 590 -13.568 -0.971 10.727 1.00 1.28 H new ATOM 0 HB2 SER A 590 -16.061 0.090 9.326 1.00 1.54 H new ATOM 0 HB3 SER A 590 -16.045 -1.061 10.648 1.00 1.54 H new ATOM 0 HG SER A 590 -16.367 1.114 11.382 1.00 1.68 H new ATOM 916 N VAL A 591 -13.688 -2.921 9.224 1.00 1.63 N ATOM 917 CA VAL A 591 -12.881 -3.797 8.394 1.00 1.41 C ATOM 918 C VAL A 591 -13.231 -5.237 8.731 1.00 1.11 C ATOM 919 O VAL A 591 -13.612 -5.520 9.867 1.00 1.15 O ATOM 920 CB VAL A 591 -11.418 -3.430 8.703 1.00 1.75 C ATOM 921 CG1 VAL A 591 -11.140 -3.440 10.189 1.00 3.05 C ATOM 922 CG2 VAL A 591 -10.378 -4.409 8.271 1.00 1.29 C ATOM 0 H VAL A 591 -13.852 -3.284 10.163 1.00 1.63 H new ATOM 0 HA VAL A 591 -13.057 -3.683 7.324 1.00 1.41 H new ATOM 0 HB VAL A 591 -11.345 -2.476 8.181 1.00 1.75 H new ATOM 0 HG11 VAL A 591 -10.097 -3.176 10.366 1.00 3.05 H new ATOM 0 HG12 VAL A 591 -11.787 -2.716 10.685 1.00 3.05 H new ATOM 0 HG13 VAL A 591 -11.335 -4.435 10.589 1.00 3.05 H new ATOM 0 HG21 VAL A 591 -9.391 -4.036 8.545 1.00 1.29 H new ATOM 0 HG22 VAL A 591 -10.553 -5.366 8.762 1.00 1.29 H new ATOM 0 HG23 VAL A 591 -10.429 -4.540 7.190 1.00 1.29 H new ATOM 932 N LEU A 592 -13.072 -6.158 7.788 1.00 0.98 N ATOM 933 CA LEU A 592 -13.092 -7.587 8.123 1.00 1.14 C ATOM 934 C LEU A 592 -11.760 -8.226 7.717 1.00 1.40 C ATOM 935 O LEU A 592 -11.325 -8.013 6.580 1.00 1.39 O ATOM 936 CB LEU A 592 -14.270 -8.318 7.434 1.00 1.34 C ATOM 937 CG LEU A 592 -15.735 -7.869 7.632 1.00 1.42 C ATOM 938 CD1 LEU A 592 -16.157 -7.824 9.096 1.00 1.61 C ATOM 939 CD2 LEU A 592 -16.104 -6.539 6.972 1.00 1.58 C ATOM 0 H LEU A 592 -12.930 -5.952 6.799 1.00 0.98 H new ATOM 0 HA LEU A 592 -13.232 -7.684 9.200 1.00 1.14 H new ATOM 0 HB2 LEU A 592 -14.074 -8.291 6.362 1.00 1.34 H new ATOM 0 HB3 LEU A 592 -14.216 -9.362 7.742 1.00 1.34 H new ATOM 0 HG LEU A 592 -16.289 -8.653 7.115 1.00 1.42 H new ATOM 0 HD11 LEU A 592 -17.196 -7.501 9.165 1.00 1.61 H new ATOM 0 HD12 LEU A 592 -16.055 -8.817 9.535 1.00 1.61 H new ATOM 0 HD13 LEU A 592 -15.522 -7.122 9.636 1.00 1.61 H new ATOM 0 HD21 LEU A 592 -17.152 -6.313 7.169 1.00 1.58 H new ATOM 0 HD22 LEU A 592 -15.479 -5.745 7.380 1.00 1.58 H new ATOM 0 HD23 LEU A 592 -15.945 -6.610 5.896 1.00 1.58 H new ATOM 951 N THR A 593 -11.127 -9.021 8.593 1.00 1.78 N ATOM 952 CA THR A 593 -10.010 -9.894 8.147 1.00 2.15 C ATOM 953 C THR A 593 -10.464 -11.305 7.741 1.00 2.34 C ATOM 954 O THR A 593 -11.478 -11.819 8.221 1.00 2.23 O ATOM 955 CB THR A 593 -8.784 -9.844 9.076 1.00 2.43 C ATOM 956 OG1 THR A 593 -9.103 -9.612 10.429 1.00 2.38 O ATOM 957 CG2 THR A 593 -7.879 -8.700 8.621 1.00 2.49 C ATOM 0 H THR A 593 -11.353 -9.084 9.586 1.00 1.78 H new ATOM 0 HA THR A 593 -9.645 -9.460 7.216 1.00 2.15 H new ATOM 0 HB THR A 593 -8.306 -10.821 9.011 1.00 2.43 H new ATOM 0 HG1 THR A 593 -8.280 -9.594 10.961 1.00 2.38 H new ATOM 0 HG21 THR A 593 -7.004 -8.649 9.269 1.00 2.49 H new ATOM 0 HG22 THR A 593 -7.560 -8.875 7.593 1.00 2.49 H new ATOM 0 HG23 THR A 593 -8.426 -7.759 8.676 1.00 2.49 H new ATOM 965 N LYS A 594 -9.779 -11.902 6.752 1.00 2.72 N ATOM 966 CA LYS A 594 -10.389 -12.858 5.799 1.00 2.84 C ATOM 967 C LYS A 594 -10.518 -14.313 6.268 1.00 2.96 C ATOM 968 O LYS A 594 -11.344 -15.055 5.734 1.00 3.21 O ATOM 969 CB LYS A 594 -9.714 -12.750 4.420 1.00 3.18 C ATOM 970 CG LYS A 594 -8.208 -13.079 4.360 1.00 3.59 C ATOM 971 CD LYS A 594 -7.325 -11.822 4.245 1.00 3.66 C ATOM 972 CE LYS A 594 -5.841 -12.152 4.018 1.00 4.18 C ATOM 973 NZ LYS A 594 -5.583 -12.650 2.647 1.00 4.50 N ATOM 0 H LYS A 594 -8.786 -11.739 6.586 1.00 2.72 H new ATOM 0 HA LYS A 594 -11.430 -12.542 5.727 1.00 2.84 H new ATOM 0 HB2 LYS A 594 -10.236 -13.416 3.732 1.00 3.18 H new ATOM 0 HB3 LYS A 594 -9.856 -11.735 4.050 1.00 3.18 H new ATOM 0 HG2 LYS A 594 -7.926 -13.634 5.255 1.00 3.59 H new ATOM 0 HG3 LYS A 594 -8.017 -13.731 3.507 1.00 3.59 H new ATOM 0 HD2 LYS A 594 -7.685 -11.205 3.421 1.00 3.66 H new ATOM 0 HD3 LYS A 594 -7.425 -11.229 5.154 1.00 3.66 H new ATOM 0 HE2 LYS A 594 -5.240 -11.260 4.198 1.00 4.18 H new ATOM 0 HE3 LYS A 594 -5.522 -12.902 4.741 1.00 4.18 H new ATOM 0 HZ1 LYS A 594 -4.601 -12.987 2.579 1.00 4.50 H new ATOM 0 HZ2 LYS A 594 -6.233 -13.433 2.434 1.00 4.50 H new ATOM 0 HZ3 LYS A 594 -5.733 -11.880 1.964 1.00 4.50 H new ATOM 987 N GLY A 595 -9.759 -14.711 7.281 1.00 3.78 N ATOM 988 CA GLY A 595 -10.010 -15.893 8.115 1.00 3.86 C ATOM 989 C GLY A 595 -10.855 -15.597 9.353 1.00 3.49 C ATOM 990 O GLY A 595 -11.245 -16.520 10.071 1.00 3.63 O ATOM 0 H GLY A 595 -8.919 -14.204 7.560 1.00 3.78 H new ATOM 0 HA2 GLY A 595 -10.513 -16.651 7.515 1.00 3.86 H new ATOM 0 HA3 GLY A 595 -9.056 -16.316 8.429 1.00 3.86 H new ATOM 994 N ASN A 596 -11.069 -14.310 9.641 1.00 3.07 N ATOM 995 CA ASN A 596 -11.080 -13.785 10.997 1.00 2.84 C ATOM 996 C ASN A 596 -12.420 -13.095 11.325 1.00 2.44 C ATOM 997 O ASN A 596 -13.467 -13.406 10.749 1.00 2.57 O ATOM 998 CB ASN A 596 -9.881 -12.823 11.221 1.00 2.84 C ATOM 999 CG ASN A 596 -8.535 -13.050 10.533 1.00 3.37 C ATOM 1000 OD1 ASN A 596 -8.406 -13.452 9.386 1.00 3.98 O ATOM 1001 ND2 ASN A 596 -7.462 -12.678 11.182 1.00 3.57 N ATOM 0 H ASN A 596 -11.241 -13.601 8.928 1.00 3.07 H new ATOM 0 HA ASN A 596 -10.974 -14.626 11.683 1.00 2.84 H new ATOM 0 HB2 ASN A 596 -10.218 -11.826 10.937 1.00 2.84 H new ATOM 0 HB3 ASN A 596 -9.689 -12.801 12.294 1.00 2.84 H new ATOM 0 HD21 ASN A 596 -6.549 -12.728 10.729 1.00 3.57 H new ATOM 0 HD22 ASN A 596 -7.538 -12.338 12.141 1.00 3.57 H new ATOM 1008 N LYS A 597 -12.392 -12.157 12.275 1.00 2.18 N ATOM 1009 CA LYS A 597 -13.516 -11.332 12.710 1.00 1.92 C ATOM 1010 C LYS A 597 -13.444 -9.918 12.143 1.00 1.49 C ATOM 1011 O LYS A 597 -12.469 -9.523 11.497 1.00 1.50 O ATOM 1012 CB LYS A 597 -13.582 -11.326 14.254 1.00 2.19 C ATOM 1013 CG LYS A 597 -13.765 -12.685 14.959 1.00 2.67 C ATOM 1014 CD LYS A 597 -12.601 -13.693 14.919 1.00 2.67 C ATOM 1015 CE LYS A 597 -11.217 -13.075 15.177 1.00 3.09 C ATOM 1016 NZ LYS A 597 -10.242 -14.100 15.621 1.00 3.39 N ATOM 0 H LYS A 597 -11.537 -11.943 12.788 1.00 2.18 H new ATOM 0 HA LYS A 597 -14.436 -11.767 12.319 1.00 1.92 H new ATOM 0 HB2 LYS A 597 -12.665 -10.872 14.629 1.00 2.19 H new ATOM 0 HB3 LYS A 597 -14.405 -10.677 14.554 1.00 2.19 H new ATOM 0 HG2 LYS A 597 -13.998 -12.488 16.005 1.00 2.67 H new ATOM 0 HG3 LYS A 597 -14.639 -13.170 14.524 1.00 2.67 H new ATOM 0 HD2 LYS A 597 -12.783 -14.469 15.662 1.00 2.67 H new ATOM 0 HD3 LYS A 597 -12.592 -14.181 13.944 1.00 2.67 H new ATOM 0 HE2 LYS A 597 -10.855 -12.596 14.267 1.00 3.09 H new ATOM 0 HE3 LYS A 597 -11.300 -12.297 15.935 1.00 3.09 H new ATOM 0 HZ1 LYS A 597 -9.318 -13.652 15.787 1.00 3.39 H new ATOM 0 HZ2 LYS A 597 -10.577 -14.539 16.502 1.00 3.39 H new ATOM 0 HZ3 LYS A 597 -10.146 -14.829 14.886 1.00 3.39 H new ATOM 1030 N GLU A 598 -14.489 -9.148 12.420 1.00 1.39 N ATOM 1031 CA GLU A 598 -14.464 -7.702 12.241 1.00 1.19 C ATOM 1032 C GLU A 598 -13.360 -7.028 13.067 1.00 1.01 C ATOM 1033 O GLU A 598 -13.054 -7.448 14.183 1.00 1.04 O ATOM 1034 CB GLU A 598 -15.837 -7.102 12.575 1.00 1.56 C ATOM 1035 CG GLU A 598 -16.210 -7.200 14.065 1.00 2.10 C ATOM 1036 CD GLU A 598 -17.587 -6.600 14.326 1.00 2.46 C ATOM 1037 OE1 GLU A 598 -18.568 -6.996 13.651 1.00 3.03 O ATOM 1038 OE2 GLU A 598 -17.679 -5.674 15.169 1.00 3.23 O ATOM 0 H GLU A 598 -15.375 -9.507 12.774 1.00 1.39 H new ATOM 0 HA GLU A 598 -14.235 -7.508 11.193 1.00 1.19 H new ATOM 0 HB2 GLU A 598 -15.848 -6.054 12.275 1.00 1.56 H new ATOM 0 HB3 GLU A 598 -16.599 -7.611 11.985 1.00 1.56 H new ATOM 0 HG2 GLU A 598 -16.199 -8.244 14.378 1.00 2.10 H new ATOM 0 HG3 GLU A 598 -15.463 -6.680 14.665 1.00 2.10 H new ATOM 1045 N MET A 599 -12.787 -5.954 12.534 1.00 1.04 N ATOM 1046 CA MET A 599 -11.944 -5.002 13.255 1.00 1.29 C ATOM 1047 C MET A 599 -12.338 -3.551 12.963 1.00 1.60 C ATOM 1048 O MET A 599 -13.264 -3.271 12.188 1.00 2.11 O ATOM 1049 CB MET A 599 -10.449 -5.298 13.059 1.00 1.46 C ATOM 1050 CG MET A 599 -10.051 -6.743 13.377 1.00 1.47 C ATOM 1051 SD MET A 599 -8.303 -7.096 13.074 1.00 1.95 S ATOM 1052 CE MET A 599 -8.245 -6.622 11.325 1.00 2.12 C ATOM 0 H MET A 599 -12.900 -5.712 11.550 1.00 1.04 H new ATOM 0 HA MET A 599 -12.127 -5.138 14.321 1.00 1.29 H new ATOM 0 HB2 MET A 599 -10.178 -5.076 12.027 1.00 1.46 H new ATOM 0 HB3 MET A 599 -9.870 -4.625 13.692 1.00 1.46 H new ATOM 0 HG2 MET A 599 -10.279 -6.952 14.422 1.00 1.47 H new ATOM 0 HG3 MET A 599 -10.659 -7.419 12.776 1.00 1.47 H new ATOM 0 HE1 MET A 599 -7.378 -7.082 10.852 1.00 2.12 H new ATOM 0 HE2 MET A 599 -9.153 -6.961 10.826 1.00 2.12 H new ATOM 0 HE3 MET A 599 -8.169 -5.538 11.244 1.00 2.12 H new ATOM 1062 N LYS A 600 -11.639 -2.621 13.609 1.00 1.47 N ATOM 1063 CA LYS A 600 -11.118 -1.394 13.025 1.00 1.31 C ATOM 1064 C LYS A 600 -9.629 -1.459 12.672 1.00 1.26 C ATOM 1065 O LYS A 600 -8.873 -2.253 13.229 1.00 1.39 O ATOM 1066 CB LYS A 600 -11.333 -0.235 14.023 1.00 1.39 C ATOM 1067 CG LYS A 600 -12.615 0.577 13.865 1.00 1.49 C ATOM 1068 CD LYS A 600 -13.923 -0.200 13.770 1.00 1.44 C ATOM 1069 CE LYS A 600 -14.232 -1.031 15.018 1.00 1.40 C ATOM 1070 NZ LYS A 600 -15.614 -1.551 14.958 1.00 2.06 N ATOM 0 H LYS A 600 -11.411 -2.709 14.599 1.00 1.47 H new ATOM 0 HA LYS A 600 -11.660 -1.240 12.092 1.00 1.31 H new ATOM 0 HB2 LYS A 600 -11.313 -0.647 15.032 1.00 1.39 H new ATOM 0 HB3 LYS A 600 -10.486 0.446 13.940 1.00 1.39 H new ATOM 0 HG2 LYS A 600 -12.689 1.261 14.711 1.00 1.49 H new ATOM 0 HG3 LYS A 600 -12.519 1.189 12.968 1.00 1.49 H new ATOM 0 HD2 LYS A 600 -14.741 0.500 13.598 1.00 1.44 H new ATOM 0 HD3 LYS A 600 -13.882 -0.861 12.904 1.00 1.44 H new ATOM 0 HE2 LYS A 600 -13.528 -1.859 15.096 1.00 1.40 H new ATOM 0 HE3 LYS A 600 -14.105 -0.419 15.911 1.00 1.40 H new ATOM 0 HZ1 LYS A 600 -15.811 -2.113 15.811 1.00 2.06 H new ATOM 0 HZ2 LYS A 600 -16.282 -0.756 14.906 1.00 2.06 H new ATOM 0 HZ3 LYS A 600 -15.723 -2.151 14.115 1.00 2.06 H new ATOM 1084 N LEU A 601 -9.225 -0.556 11.782 1.00 1.14 N ATOM 1085 CA LEU A 601 -7.839 -0.192 11.441 1.00 1.09 C ATOM 1086 C LEU A 601 -7.647 1.332 11.574 1.00 0.99 C ATOM 1087 O LEU A 601 -8.583 2.099 11.354 1.00 0.95 O ATOM 1088 CB LEU A 601 -7.494 -0.669 10.012 1.00 1.14 C ATOM 1089 CG LEU A 601 -6.421 -1.759 9.897 1.00 1.11 C ATOM 1090 CD1 LEU A 601 -6.914 -3.076 10.484 1.00 1.13 C ATOM 1091 CD2 LEU A 601 -6.106 -1.992 8.418 1.00 1.19 C ATOM 0 H LEU A 601 -9.900 -0.018 11.238 1.00 1.14 H new ATOM 0 HA LEU A 601 -7.160 -0.687 12.135 1.00 1.09 H new ATOM 0 HB2 LEU A 601 -8.407 -1.038 9.545 1.00 1.14 H new ATOM 0 HB3 LEU A 601 -7.167 0.195 9.433 1.00 1.14 H new ATOM 0 HG LEU A 601 -5.538 -1.429 10.444 1.00 1.11 H new ATOM 0 HD11 LEU A 601 -6.134 -3.831 10.389 1.00 1.13 H new ATOM 0 HD12 LEU A 601 -7.158 -2.936 11.537 1.00 1.13 H new ATOM 0 HD13 LEU A 601 -7.803 -3.404 9.946 1.00 1.13 H new ATOM 0 HD21 LEU A 601 -5.344 -2.766 8.326 1.00 1.19 H new ATOM 0 HD22 LEU A 601 -7.010 -2.310 7.899 1.00 1.19 H new ATOM 0 HD23 LEU A 601 -5.739 -1.067 7.974 1.00 1.19 H new ATOM 1103 N SER A 602 -6.427 1.764 11.891 1.00 1.00 N ATOM 1104 CA SER A 602 -6.045 3.159 12.182 1.00 0.96 C ATOM 1105 C SER A 602 -4.914 3.657 11.270 1.00 0.95 C ATOM 1106 O SER A 602 -4.346 2.901 10.476 1.00 1.01 O ATOM 1107 CB SER A 602 -5.631 3.281 13.659 1.00 0.98 C ATOM 1108 OG SER A 602 -4.634 2.320 13.956 1.00 1.62 O ATOM 0 H SER A 602 -5.635 1.125 11.957 1.00 1.00 H new ATOM 0 HA SER A 602 -6.913 3.789 11.986 1.00 0.96 H new ATOM 0 HB2 SER A 602 -5.254 4.284 13.859 1.00 0.98 H new ATOM 0 HB3 SER A 602 -6.497 3.131 14.303 1.00 0.98 H new ATOM 0 HG SER A 602 -4.371 2.401 14.897 1.00 1.62 H new ATOM 1114 N ASP A 603 -4.573 4.943 11.365 1.00 0.94 N ATOM 1115 CA ASP A 603 -3.559 5.578 10.519 1.00 0.98 C ATOM 1116 C ASP A 603 -2.168 4.918 10.621 1.00 1.00 C ATOM 1117 O ASP A 603 -1.734 4.485 11.693 1.00 1.05 O ATOM 1118 CB ASP A 603 -3.533 7.092 10.771 1.00 1.09 C ATOM 1119 CG ASP A 603 -3.002 7.509 12.145 1.00 1.21 C ATOM 1120 OD1 ASP A 603 -3.774 7.415 13.132 1.00 2.02 O ATOM 1121 OD2 ASP A 603 -1.844 7.988 12.206 1.00 1.47 O ATOM 0 H ASP A 603 -4.997 5.581 12.039 1.00 0.94 H new ATOM 0 HA ASP A 603 -3.850 5.417 9.481 1.00 0.98 H new ATOM 0 HB2 ASP A 603 -2.920 7.563 10.003 1.00 1.09 H new ATOM 0 HB3 ASP A 603 -4.544 7.482 10.655 1.00 1.09 H new ATOM 1126 N GLY A 604 -1.476 4.811 9.483 1.00 1.01 N ATOM 1127 CA GLY A 604 -0.231 4.046 9.332 1.00 1.06 C ATOM 1128 C GLY A 604 -0.410 2.542 9.065 1.00 1.05 C ATOM 1129 O GLY A 604 0.567 1.857 8.755 1.00 1.16 O ATOM 0 H GLY A 604 -1.772 5.265 8.619 1.00 1.01 H new ATOM 0 HA2 GLY A 604 0.344 4.477 8.512 1.00 1.06 H new ATOM 0 HA3 GLY A 604 0.363 4.169 10.237 1.00 1.06 H new ATOM 1133 N SER A 605 -1.641 2.026 9.126 1.00 1.02 N ATOM 1134 CA SER A 605 -1.991 0.684 8.638 1.00 1.00 C ATOM 1135 C SER A 605 -2.038 0.636 7.100 1.00 0.94 C ATOM 1136 O SER A 605 -2.149 1.671 6.434 1.00 0.91 O ATOM 1137 CB SER A 605 -3.354 0.265 9.190 1.00 0.97 C ATOM 1138 OG SER A 605 -3.380 0.273 10.609 1.00 1.07 O ATOM 0 H SER A 605 -2.434 2.533 9.520 1.00 1.02 H new ATOM 0 HA SER A 605 -1.218 -0.003 8.984 1.00 1.00 H new ATOM 0 HB2 SER A 605 -4.122 0.939 8.810 1.00 0.97 H new ATOM 0 HB3 SER A 605 -3.600 -0.734 8.829 1.00 0.97 H new ATOM 0 HG SER A 605 -3.703 1.142 10.925 1.00 1.07 H new ATOM 1144 N TYR A 606 -2.002 -0.566 6.523 1.00 0.95 N ATOM 1145 CA TYR A 606 -2.072 -0.783 5.074 1.00 1.00 C ATOM 1146 C TYR A 606 -2.891 -2.021 4.676 1.00 1.04 C ATOM 1147 O TYR A 606 -3.219 -2.862 5.514 1.00 1.25 O ATOM 1148 CB TYR A 606 -0.656 -0.799 4.485 1.00 1.10 C ATOM 1149 CG TYR A 606 0.238 -1.960 4.881 1.00 1.25 C ATOM 1150 CD1 TYR A 606 0.218 -3.156 4.136 1.00 2.17 C ATOM 1151 CD2 TYR A 606 1.131 -1.824 5.961 1.00 2.40 C ATOM 1152 CE1 TYR A 606 1.072 -4.221 4.483 1.00 2.64 C ATOM 1153 CE2 TYR A 606 1.987 -2.886 6.310 1.00 2.96 C ATOM 1154 CZ TYR A 606 1.948 -4.096 5.583 1.00 2.63 C ATOM 1155 OH TYR A 606 2.762 -5.125 5.950 1.00 3.43 O ATOM 0 H TYR A 606 -1.922 -1.432 7.057 1.00 0.95 H new ATOM 0 HA TYR A 606 -2.621 0.054 4.642 1.00 1.00 H new ATOM 0 HB2 TYR A 606 -0.740 -0.791 3.398 1.00 1.10 H new ATOM 0 HB3 TYR A 606 -0.158 0.127 4.773 1.00 1.10 H new ATOM 0 HD1 TYR A 606 -0.454 -3.256 3.297 1.00 2.17 H new ATOM 0 HD2 TYR A 606 1.159 -0.902 6.523 1.00 2.40 H new ATOM 0 HE1 TYR A 606 1.057 -5.134 3.907 1.00 2.64 H new ATOM 0 HE2 TYR A 606 2.675 -2.775 7.135 1.00 2.96 H new ATOM 0 HH TYR A 606 3.296 -4.858 6.727 1.00 3.43 H new ATOM 1165 N PHE A 607 -3.284 -2.106 3.399 1.00 0.93 N ATOM 1166 CA PHE A 607 -4.309 -3.057 2.945 1.00 1.08 C ATOM 1167 C PHE A 607 -3.853 -4.209 2.031 1.00 1.59 C ATOM 1168 O PHE A 607 -2.840 -4.140 1.325 1.00 1.98 O ATOM 1169 CB PHE A 607 -5.401 -2.257 2.233 1.00 1.22 C ATOM 1170 CG PHE A 607 -6.119 -1.238 3.093 1.00 0.87 C ATOM 1171 CD1 PHE A 607 -6.947 -1.672 4.144 1.00 2.12 C ATOM 1172 CD2 PHE A 607 -6.058 0.129 2.769 1.00 1.87 C ATOM 1173 CE1 PHE A 607 -7.721 -0.742 4.856 1.00 2.36 C ATOM 1174 CE2 PHE A 607 -6.846 1.055 3.468 1.00 1.80 C ATOM 1175 CZ PHE A 607 -7.679 0.620 4.510 1.00 1.26 C ATOM 0 H PHE A 607 -2.904 -1.522 2.654 1.00 0.93 H new ATOM 0 HA PHE A 607 -4.646 -3.565 3.849 1.00 1.08 H new ATOM 0 HB2 PHE A 607 -4.955 -1.741 1.383 1.00 1.22 H new ATOM 0 HB3 PHE A 607 -6.137 -2.954 1.833 1.00 1.22 H new ATOM 0 HD1 PHE A 607 -6.987 -2.720 4.403 1.00 2.12 H new ATOM 0 HD2 PHE A 607 -5.403 0.467 1.980 1.00 1.87 H new ATOM 0 HE1 PHE A 607 -8.349 -1.073 5.670 1.00 2.36 H new ATOM 0 HE2 PHE A 607 -6.812 2.102 3.205 1.00 1.80 H new ATOM 0 HZ PHE A 607 -8.288 1.332 5.047 1.00 1.26 H new ATOM 1185 N GLY A 608 -4.726 -5.221 1.956 1.00 1.96 N ATOM 1186 CA GLY A 608 -4.912 -6.095 0.794 1.00 2.48 C ATOM 1187 C GLY A 608 -3.966 -7.297 0.675 1.00 2.71 C ATOM 1188 O GLY A 608 -4.040 -8.032 -0.313 1.00 3.32 O ATOM 0 H GLY A 608 -5.344 -5.461 2.731 1.00 1.96 H new ATOM 0 HA2 GLY A 608 -5.936 -6.469 0.810 1.00 2.48 H new ATOM 0 HA3 GLY A 608 -4.808 -5.490 -0.107 1.00 2.48 H new ATOM 1192 N GLU A 609 -3.040 -7.479 1.623 1.00 3.21 N ATOM 1193 CA GLU A 609 -1.944 -8.472 1.605 1.00 3.54 C ATOM 1194 C GLU A 609 -0.964 -8.359 0.406 1.00 2.59 C ATOM 1195 O GLU A 609 0.056 -9.049 0.362 1.00 3.26 O ATOM 1196 CB GLU A 609 -2.554 -9.874 1.809 1.00 4.80 C ATOM 1197 CG GLU A 609 -1.571 -10.974 2.224 1.00 5.88 C ATOM 1198 CD GLU A 609 -2.338 -12.234 2.635 1.00 6.50 C ATOM 1199 OE1 GLU A 609 -2.944 -12.906 1.769 1.00 6.55 O ATOM 1200 OE2 GLU A 609 -2.406 -12.553 3.843 1.00 7.48 O ATOM 0 H GLU A 609 -3.028 -6.911 2.470 1.00 3.21 H new ATOM 0 HA GLU A 609 -1.274 -8.254 2.437 1.00 3.54 H new ATOM 0 HB2 GLU A 609 -3.333 -9.804 2.568 1.00 4.80 H new ATOM 0 HB3 GLU A 609 -3.039 -10.177 0.881 1.00 4.80 H new ATOM 0 HG2 GLU A 609 -0.897 -11.202 1.398 1.00 5.88 H new ATOM 0 HG3 GLU A 609 -0.954 -10.628 3.053 1.00 5.88 H new ATOM 1207 N ILE A 610 -1.221 -7.441 -0.537 1.00 2.30 N ATOM 1208 CA ILE A 610 -0.510 -7.256 -1.810 1.00 2.41 C ATOM 1209 C ILE A 610 0.992 -7.022 -1.596 1.00 2.51 C ATOM 1210 O ILE A 610 1.410 -5.945 -1.164 1.00 3.75 O ATOM 1211 CB ILE A 610 -1.114 -6.091 -2.646 1.00 4.43 C ATOM 1212 CG1 ILE A 610 -2.654 -6.096 -2.680 1.00 5.74 C ATOM 1213 CG2 ILE A 610 -0.550 -6.158 -4.077 1.00 5.28 C ATOM 1214 CD1 ILE A 610 -3.304 -4.982 -3.512 1.00 7.63 C ATOM 0 H ILE A 610 -1.978 -6.766 -0.424 1.00 2.30 H new ATOM 0 HA ILE A 610 -0.637 -8.183 -2.370 1.00 2.41 H new ATOM 0 HB ILE A 610 -0.827 -5.158 -2.160 1.00 4.43 H new ATOM 0 HG12 ILE A 610 -2.988 -7.058 -3.070 1.00 5.74 H new ATOM 0 HG13 ILE A 610 -3.022 -6.022 -1.657 1.00 5.74 H new ATOM 0 HG21 ILE A 610 -0.968 -5.345 -4.671 1.00 5.28 H new ATOM 0 HG22 ILE A 610 0.535 -6.064 -4.045 1.00 5.28 H new ATOM 0 HG23 ILE A 610 -0.818 -7.113 -4.529 1.00 5.28 H new ATOM 0 HD11 ILE A 610 -4.389 -5.080 -3.467 1.00 7.63 H new ATOM 0 HD12 ILE A 610 -3.010 -4.011 -3.113 1.00 7.63 H new ATOM 0 HD13 ILE A 610 -2.975 -5.063 -4.548 1.00 7.63 H new ATOM 1226 N CYS A 611 1.787 -8.028 -1.954 1.00 2.59 N ATOM 1227 CA CYS A 611 3.235 -7.953 -2.132 1.00 3.46 C ATOM 1228 C CYS A 611 3.557 -7.583 -3.590 1.00 2.46 C ATOM 1229 O CYS A 611 2.879 -8.034 -4.507 1.00 2.40 O ATOM 1230 CB CYS A 611 3.809 -9.312 -1.704 1.00 5.21 C ATOM 1231 SG CYS A 611 5.581 -9.448 -2.052 1.00 6.53 S ATOM 0 H CYS A 611 1.421 -8.962 -2.137 1.00 2.59 H new ATOM 0 HA CYS A 611 3.692 -7.175 -1.520 1.00 3.46 H new ATOM 0 HB2 CYS A 611 3.638 -9.457 -0.637 1.00 5.21 H new ATOM 0 HB3 CYS A 611 3.277 -10.109 -2.223 1.00 5.21 H new ATOM 0 HG CYS A 611 6.010 -10.613 -1.668 1.00 6.53 H new ATOM 1237 N LEU A 612 4.625 -6.826 -3.856 1.00 2.42 N ATOM 1238 CA LEU A 612 5.057 -6.537 -5.238 1.00 1.75 C ATOM 1239 C LEU A 612 5.714 -7.751 -5.938 1.00 1.88 C ATOM 1240 O LEU A 612 5.984 -7.709 -7.138 1.00 2.01 O ATOM 1241 CB LEU A 612 5.923 -5.273 -5.251 1.00 1.51 C ATOM 1242 CG LEU A 612 5.064 -4.020 -4.965 1.00 1.43 C ATOM 1243 CD1 LEU A 612 5.137 -3.564 -3.505 1.00 2.55 C ATOM 1244 CD2 LEU A 612 5.541 -2.869 -5.830 1.00 1.11 C ATOM 0 H LEU A 612 5.210 -6.400 -3.137 1.00 2.42 H new ATOM 0 HA LEU A 612 4.171 -6.340 -5.842 1.00 1.75 H new ATOM 0 HB2 LEU A 612 6.711 -5.358 -4.503 1.00 1.51 H new ATOM 0 HB3 LEU A 612 6.412 -5.171 -6.220 1.00 1.51 H new ATOM 0 HG LEU A 612 4.033 -4.296 -5.187 1.00 1.43 H new ATOM 0 HD11 LEU A 612 4.513 -2.681 -3.368 1.00 2.55 H new ATOM 0 HD12 LEU A 612 4.781 -4.364 -2.856 1.00 2.55 H new ATOM 0 HD13 LEU A 612 6.169 -3.322 -3.250 1.00 2.55 H new ATOM 0 HD21 LEU A 612 4.935 -1.986 -5.628 1.00 1.11 H new ATOM 0 HD22 LEU A 612 6.585 -2.652 -5.604 1.00 1.11 H new ATOM 0 HD23 LEU A 612 5.447 -3.141 -6.881 1.00 1.11 H new ATOM 1256 N LEU A 613 5.912 -8.847 -5.199 1.00 2.04 N ATOM 1257 CA LEU A 613 6.309 -10.183 -5.662 1.00 2.33 C ATOM 1258 C LEU A 613 5.192 -11.214 -5.404 1.00 2.49 C ATOM 1259 O LEU A 613 5.447 -12.417 -5.301 1.00 3.16 O ATOM 1260 CB LEU A 613 7.659 -10.607 -5.045 1.00 2.64 C ATOM 1261 CG LEU A 613 8.784 -9.574 -5.238 1.00 2.67 C ATOM 1262 CD1 LEU A 613 8.863 -8.592 -4.064 1.00 3.34 C ATOM 1263 CD2 LEU A 613 10.145 -10.266 -5.348 1.00 3.51 C ATOM 0 H LEU A 613 5.790 -8.823 -4.187 1.00 2.04 H new ATOM 0 HA LEU A 613 6.456 -10.142 -6.741 1.00 2.33 H new ATOM 0 HB2 LEU A 613 7.520 -10.784 -3.978 1.00 2.64 H new ATOM 0 HB3 LEU A 613 7.968 -11.554 -5.488 1.00 2.64 H new ATOM 0 HG LEU A 613 8.549 -9.034 -6.155 1.00 2.67 H new ATOM 0 HD11 LEU A 613 9.669 -7.880 -4.239 1.00 3.34 H new ATOM 0 HD12 LEU A 613 7.918 -8.056 -3.974 1.00 3.34 H new ATOM 0 HD13 LEU A 613 9.058 -9.141 -3.143 1.00 3.34 H new ATOM 0 HD21 LEU A 613 10.924 -9.516 -5.484 1.00 3.51 H new ATOM 0 HD22 LEU A 613 10.340 -10.831 -4.437 1.00 3.51 H new ATOM 0 HD23 LEU A 613 10.141 -10.944 -6.202 1.00 3.51 H new ATOM 1275 N THR A 614 3.954 -10.735 -5.235 1.00 2.10 N ATOM 1276 CA THR A 614 2.743 -11.579 -5.159 1.00 2.27 C ATOM 1277 C THR A 614 2.477 -12.352 -6.462 1.00 2.26 C ATOM 1278 O THR A 614 3.029 -12.044 -7.529 1.00 2.69 O ATOM 1279 CB THR A 614 1.499 -10.768 -4.732 1.00 2.50 C ATOM 1280 OG1 THR A 614 0.457 -11.592 -4.263 1.00 3.20 O ATOM 1281 CG2 THR A 614 0.883 -9.916 -5.848 1.00 3.12 C ATOM 0 H THR A 614 3.756 -9.738 -5.145 1.00 2.10 H new ATOM 0 HA THR A 614 2.941 -12.319 -4.383 1.00 2.27 H new ATOM 0 HB THR A 614 1.892 -10.121 -3.948 1.00 2.50 H new ATOM 0 HG1 THR A 614 -0.402 -11.251 -4.590 1.00 3.20 H new ATOM 0 HG21 THR A 614 0.016 -9.381 -5.461 1.00 3.12 H new ATOM 0 HG22 THR A 614 1.621 -9.199 -6.208 1.00 3.12 H new ATOM 0 HG23 THR A 614 0.574 -10.562 -6.670 1.00 3.12 H new ATOM 1289 N ARG A 615 1.607 -13.362 -6.374 1.00 2.66 N ATOM 1290 CA ARG A 615 1.159 -14.209 -7.482 1.00 3.16 C ATOM 1291 C ARG A 615 -0.371 -14.225 -7.557 1.00 2.54 C ATOM 1292 O ARG A 615 -1.047 -14.429 -6.543 1.00 2.84 O ATOM 1293 CB ARG A 615 1.772 -15.609 -7.298 1.00 4.79 C ATOM 1294 CG ARG A 615 1.767 -16.436 -8.590 1.00 4.78 C ATOM 1295 CD ARG A 615 2.486 -17.781 -8.400 1.00 6.29 C ATOM 1296 NE ARG A 615 1.684 -18.725 -7.603 1.00 7.81 N ATOM 1297 CZ ARG A 615 1.061 -19.806 -8.032 1.00 9.13 C ATOM 1298 NH1 ARG A 615 1.185 -20.288 -9.235 1.00 9.37 N ATOM 1299 NH2 ARG A 615 0.257 -20.412 -7.218 1.00 10.60 N ATOM 0 H ARG A 615 1.176 -13.623 -5.487 1.00 2.66 H new ATOM 0 HA ARG A 615 1.500 -13.814 -8.439 1.00 3.16 H new ATOM 0 HB2 ARG A 615 2.797 -15.508 -6.941 1.00 4.79 H new ATOM 0 HB3 ARG A 615 1.218 -16.145 -6.527 1.00 4.79 H new ATOM 0 HG2 ARG A 615 0.739 -16.613 -8.906 1.00 4.78 H new ATOM 0 HG3 ARG A 615 2.253 -15.872 -9.386 1.00 4.78 H new ATOM 0 HD2 ARG A 615 2.700 -18.219 -9.375 1.00 6.29 H new ATOM 0 HD3 ARG A 615 3.444 -17.614 -7.909 1.00 6.29 H new ATOM 0 HE ARG A 615 1.601 -18.520 -6.607 1.00 7.81 H new ATOM 0 HH11 ARG A 615 1.793 -19.824 -9.910 1.00 9.37 H new ATOM 0 HH12 ARG A 615 0.674 -21.129 -9.503 1.00 9.37 H new ATOM 0 HH21 ARG A 615 0.120 -20.051 -6.274 1.00 10.60 H new ATOM 0 HH22 ARG A 615 -0.239 -21.250 -7.521 1.00 10.60 H new ATOM 1313 N GLY A 616 -0.910 -14.028 -8.758 1.00 2.45 N ATOM 1314 CA GLY A 616 -2.348 -14.093 -9.032 1.00 2.20 C ATOM 1315 C GLY A 616 -3.198 -12.979 -8.397 1.00 1.85 C ATOM 1316 O GLY A 616 -2.710 -11.910 -8.023 1.00 2.08 O ATOM 0 H GLY A 616 -0.352 -13.815 -9.584 1.00 2.45 H new ATOM 0 HA2 GLY A 616 -2.495 -14.067 -10.112 1.00 2.20 H new ATOM 0 HA3 GLY A 616 -2.723 -15.055 -8.683 1.00 2.20 H new ATOM 1320 N ARG A 617 -4.508 -13.232 -8.315 1.00 1.76 N ATOM 1321 CA ARG A 617 -5.542 -12.349 -7.724 1.00 1.60 C ATOM 1322 C ARG A 617 -5.241 -11.964 -6.263 1.00 1.76 C ATOM 1323 O ARG A 617 -4.619 -12.723 -5.516 1.00 2.31 O ATOM 1324 CB ARG A 617 -6.911 -13.057 -7.789 1.00 1.87 C ATOM 1325 CG ARG A 617 -7.393 -13.474 -9.193 1.00 1.82 C ATOM 1326 CD ARG A 617 -7.719 -12.310 -10.137 1.00 1.68 C ATOM 1327 NE ARG A 617 -8.891 -11.544 -9.669 1.00 2.35 N ATOM 1328 CZ ARG A 617 -10.109 -11.492 -10.180 1.00 2.80 C ATOM 1329 NH1 ARG A 617 -10.500 -12.164 -11.219 1.00 2.72 N ATOM 1330 NH2 ARG A 617 -11.014 -10.713 -9.671 1.00 4.26 N ATOM 0 H ARG A 617 -4.905 -14.100 -8.675 1.00 1.76 H new ATOM 0 HA ARG A 617 -5.548 -11.427 -8.306 1.00 1.60 H new ATOM 0 HB2 ARG A 617 -6.866 -13.948 -7.163 1.00 1.87 H new ATOM 0 HB3 ARG A 617 -7.660 -12.397 -7.351 1.00 1.87 H new ATOM 0 HG2 ARG A 617 -6.625 -14.093 -9.656 1.00 1.82 H new ATOM 0 HG3 ARG A 617 -8.282 -14.096 -9.086 1.00 1.82 H new ATOM 0 HD2 ARG A 617 -6.856 -11.648 -10.211 1.00 1.68 H new ATOM 0 HD3 ARG A 617 -7.911 -12.695 -11.138 1.00 1.68 H new ATOM 0 HE ARG A 617 -8.740 -10.976 -8.835 1.00 2.35 H new ATOM 0 HH11 ARG A 617 -9.849 -12.785 -11.699 1.00 2.72 H new ATOM 0 HH12 ARG A 617 -11.459 -12.071 -11.555 1.00 2.72 H new ATOM 0 HH21 ARG A 617 -10.790 -10.129 -8.865 1.00 4.26 H new ATOM 0 HH22 ARG A 617 -11.949 -10.684 -10.077 1.00 4.26 H new ATOM 1344 N ARG A 618 -5.743 -10.796 -5.851 1.00 1.63 N ATOM 1345 CA ARG A 618 -5.833 -10.306 -4.458 1.00 1.91 C ATOM 1346 C ARG A 618 -7.256 -9.797 -4.172 1.00 1.99 C ATOM 1347 O ARG A 618 -7.971 -9.441 -5.107 1.00 2.18 O ATOM 1348 CB ARG A 618 -4.777 -9.204 -4.211 1.00 2.28 C ATOM 1349 CG ARG A 618 -3.294 -9.637 -4.300 1.00 2.90 C ATOM 1350 CD ARG A 618 -2.689 -10.171 -2.989 1.00 2.75 C ATOM 1351 NE ARG A 618 -3.248 -11.480 -2.620 1.00 3.16 N ATOM 1352 CZ ARG A 618 -4.215 -11.720 -1.757 1.00 3.96 C ATOM 1353 NH1 ARG A 618 -4.754 -10.794 -1.012 1.00 4.72 N ATOM 1354 NH2 ARG A 618 -4.721 -12.908 -1.673 1.00 4.90 N ATOM 0 H ARG A 618 -6.122 -10.121 -6.515 1.00 1.63 H new ATOM 0 HA ARG A 618 -5.624 -11.127 -3.772 1.00 1.91 H new ATOM 0 HB2 ARG A 618 -4.943 -8.404 -4.933 1.00 2.28 H new ATOM 0 HB3 ARG A 618 -4.950 -8.781 -3.221 1.00 2.28 H new ATOM 0 HG2 ARG A 618 -3.202 -10.408 -5.065 1.00 2.90 H new ATOM 0 HG3 ARG A 618 -2.702 -8.785 -4.634 1.00 2.90 H new ATOM 0 HD2 ARG A 618 -1.608 -10.255 -3.096 1.00 2.75 H new ATOM 0 HD3 ARG A 618 -2.875 -9.457 -2.186 1.00 2.75 H new ATOM 0 HE ARG A 618 -2.842 -12.293 -3.084 1.00 3.16 H new ATOM 0 HH11 ARG A 618 -4.429 -9.830 -1.082 1.00 4.72 H new ATOM 0 HH12 ARG A 618 -5.500 -11.035 -0.360 1.00 4.72 H new ATOM 0 HH21 ARG A 618 -4.371 -13.655 -2.273 1.00 4.90 H new ATOM 0 HH22 ARG A 618 -5.469 -13.098 -1.006 1.00 4.90 H new ATOM 1368 N THR A 619 -7.702 -9.783 -2.915 1.00 2.15 N ATOM 1369 CA THR A 619 -9.028 -9.243 -2.538 1.00 2.17 C ATOM 1370 C THR A 619 -9.059 -8.778 -1.077 1.00 1.88 C ATOM 1371 O THR A 619 -8.335 -9.332 -0.247 1.00 1.87 O ATOM 1372 CB THR A 619 -10.143 -10.267 -2.835 1.00 2.43 C ATOM 1373 OG1 THR A 619 -11.415 -9.653 -2.807 1.00 3.24 O ATOM 1374 CG2 THR A 619 -10.189 -11.461 -1.886 1.00 2.88 C ATOM 0 H THR A 619 -7.164 -10.142 -2.126 1.00 2.15 H new ATOM 0 HA THR A 619 -9.213 -8.362 -3.152 1.00 2.17 H new ATOM 0 HB THR A 619 -9.896 -10.643 -3.828 1.00 2.43 H new ATOM 0 HG1 THR A 619 -12.105 -10.321 -3.000 1.00 3.24 H new ATOM 0 HG21 THR A 619 -11.004 -12.124 -2.175 1.00 2.88 H new ATOM 0 HG22 THR A 619 -9.245 -12.003 -1.937 1.00 2.88 H new ATOM 0 HG23 THR A 619 -10.351 -11.110 -0.867 1.00 2.88 H new ATOM 1382 N ALA A 620 -9.889 -7.782 -0.745 1.00 1.76 N ATOM 1383 CA ALA A 620 -10.130 -7.342 0.636 1.00 1.48 C ATOM 1384 C ALA A 620 -11.555 -6.789 0.860 1.00 1.30 C ATOM 1385 O ALA A 620 -12.229 -6.360 -0.079 1.00 1.52 O ATOM 1386 CB ALA A 620 -9.058 -6.325 1.044 1.00 1.80 C ATOM 0 H ALA A 620 -10.419 -7.252 -1.436 1.00 1.76 H new ATOM 0 HA ALA A 620 -10.058 -8.219 1.279 1.00 1.48 H new ATOM 0 HB1 ALA A 620 -9.237 -5.999 2.069 1.00 1.80 H new ATOM 0 HB2 ALA A 620 -8.073 -6.788 0.977 1.00 1.80 H new ATOM 0 HB3 ALA A 620 -9.100 -5.464 0.377 1.00 1.80 H new ATOM 1392 N SER A 621 -12.006 -6.790 2.120 1.00 1.12 N ATOM 1393 CA SER A 621 -13.390 -6.497 2.542 1.00 1.01 C ATOM 1394 C SER A 621 -13.439 -5.461 3.680 1.00 0.97 C ATOM 1395 O SER A 621 -13.357 -5.808 4.866 1.00 1.06 O ATOM 1396 CB SER A 621 -14.054 -7.816 2.968 1.00 1.27 C ATOM 1397 OG SER A 621 -13.283 -8.437 3.987 1.00 3.07 O ATOM 0 H SER A 621 -11.396 -7.003 2.909 1.00 1.12 H new ATOM 0 HA SER A 621 -13.933 -6.057 1.705 1.00 1.01 H new ATOM 0 HB2 SER A 621 -15.064 -7.625 3.330 1.00 1.27 H new ATOM 0 HB3 SER A 621 -14.143 -8.482 2.110 1.00 1.27 H new ATOM 0 HG SER A 621 -12.888 -7.750 4.563 1.00 3.07 H new ATOM 1403 N VAL A 622 -13.480 -4.168 3.326 1.00 0.90 N ATOM 1404 CA VAL A 622 -13.375 -3.062 4.303 1.00 0.93 C ATOM 1405 C VAL A 622 -14.002 -1.728 3.830 1.00 0.86 C ATOM 1406 O VAL A 622 -13.957 -1.401 2.641 1.00 0.79 O ATOM 1407 CB VAL A 622 -11.897 -2.939 4.740 1.00 1.00 C ATOM 1408 CG1 VAL A 622 -10.907 -3.031 3.578 1.00 0.97 C ATOM 1409 CG2 VAL A 622 -11.606 -1.679 5.542 1.00 1.03 C ATOM 0 H VAL A 622 -13.586 -3.855 2.361 1.00 0.90 H new ATOM 0 HA VAL A 622 -13.985 -3.308 5.172 1.00 0.93 H new ATOM 0 HB VAL A 622 -11.750 -3.804 5.387 1.00 1.00 H new ATOM 0 HG11 VAL A 622 -9.890 -2.937 3.958 1.00 0.97 H new ATOM 0 HG12 VAL A 622 -11.020 -3.993 3.079 1.00 0.97 H new ATOM 0 HG13 VAL A 622 -11.104 -2.228 2.867 1.00 0.97 H new ATOM 0 HG21 VAL A 622 -10.551 -1.657 5.816 1.00 1.03 H new ATOM 0 HG22 VAL A 622 -11.843 -0.802 4.940 1.00 1.03 H new ATOM 0 HG23 VAL A 622 -12.215 -1.674 6.446 1.00 1.03 H new ATOM 1419 N ARG A 623 -14.547 -0.931 4.769 1.00 0.90 N ATOM 1420 CA ARG A 623 -15.172 0.396 4.557 1.00 0.86 C ATOM 1421 C ARG A 623 -14.675 1.446 5.567 1.00 0.84 C ATOM 1422 O ARG A 623 -14.109 1.102 6.599 1.00 0.84 O ATOM 1423 CB ARG A 623 -16.711 0.245 4.554 1.00 0.99 C ATOM 1424 CG ARG A 623 -17.318 0.075 5.958 1.00 1.17 C ATOM 1425 CD ARG A 623 -18.723 -0.545 5.945 1.00 1.73 C ATOM 1426 NE ARG A 623 -19.726 0.261 5.223 1.00 2.76 N ATOM 1427 CZ ARG A 623 -21.016 -0.019 5.133 1.00 3.57 C ATOM 1428 NH1 ARG A 623 -21.540 -1.080 5.676 1.00 3.53 N ATOM 1429 NH2 ARG A 623 -21.793 0.785 4.473 1.00 4.74 N ATOM 0 H ARG A 623 -14.566 -1.208 5.751 1.00 0.90 H new ATOM 0 HA ARG A 623 -14.866 0.776 3.582 1.00 0.86 H new ATOM 0 HB2 ARG A 623 -17.152 1.122 4.081 1.00 0.99 H new ATOM 0 HB3 ARG A 623 -16.982 -0.617 3.944 1.00 0.99 H new ATOM 0 HG2 ARG A 623 -16.658 -0.552 6.557 1.00 1.17 H new ATOM 0 HG3 ARG A 623 -17.363 1.048 6.446 1.00 1.17 H new ATOM 0 HD2 ARG A 623 -18.669 -1.533 5.489 1.00 1.73 H new ATOM 0 HD3 ARG A 623 -19.057 -0.686 6.973 1.00 1.73 H new ATOM 0 HE ARG A 623 -19.397 1.105 4.754 1.00 2.76 H new ATOM 0 HH11 ARG A 623 -20.951 -1.732 6.194 1.00 3.53 H new ATOM 0 HH12 ARG A 623 -22.540 -1.259 5.583 1.00 3.53 H new ATOM 0 HH21 ARG A 623 -21.407 1.620 4.032 1.00 4.74 H new ATOM 0 HH22 ARG A 623 -22.790 0.582 4.395 1.00 4.74 H new ATOM 1443 N ALA A 624 -14.852 2.734 5.291 1.00 0.82 N ATOM 1444 CA ALA A 624 -14.423 3.811 6.190 1.00 0.76 C ATOM 1445 C ALA A 624 -15.384 4.004 7.384 1.00 0.89 C ATOM 1446 O ALA A 624 -16.603 3.999 7.201 1.00 0.97 O ATOM 1447 CB ALA A 624 -14.255 5.092 5.368 1.00 0.70 C ATOM 0 H ALA A 624 -15.298 3.066 4.436 1.00 0.82 H new ATOM 0 HA ALA A 624 -13.467 3.541 6.638 1.00 0.76 H new ATOM 0 HB1 ALA A 624 -13.936 5.904 6.021 1.00 0.70 H new ATOM 0 HB2 ALA A 624 -13.504 4.932 4.594 1.00 0.70 H new ATOM 0 HB3 ALA A 624 -15.205 5.353 4.902 1.00 0.70 H new ATOM 1453 N ASP A 625 -14.861 4.229 8.598 1.00 1.00 N ATOM 1454 CA ASP A 625 -15.680 4.568 9.787 1.00 1.16 C ATOM 1455 C ASP A 625 -16.096 6.050 9.797 1.00 1.22 C ATOM 1456 O ASP A 625 -17.098 6.453 10.394 1.00 1.38 O ATOM 1457 CB ASP A 625 -14.867 4.306 11.069 1.00 1.28 C ATOM 1458 CG ASP A 625 -15.745 4.201 12.331 1.00 1.84 C ATOM 1459 OD1 ASP A 625 -16.897 3.710 12.252 1.00 2.59 O ATOM 1460 OD2 ASP A 625 -15.306 4.648 13.419 1.00 2.59 O ATOM 0 H ASP A 625 -13.860 4.183 8.791 1.00 1.00 H new ATOM 0 HA ASP A 625 -16.574 3.945 9.746 1.00 1.16 H new ATOM 0 HB2 ASP A 625 -14.300 3.383 10.950 1.00 1.28 H new ATOM 0 HB3 ASP A 625 -14.143 5.109 11.203 1.00 1.28 H new ATOM 1465 N THR A 626 -15.259 6.857 9.150 1.00 1.12 N ATOM 1466 CA THR A 626 -15.134 8.315 9.267 1.00 1.08 C ATOM 1467 C THR A 626 -14.512 8.876 7.971 1.00 0.93 C ATOM 1468 O THR A 626 -14.116 8.102 7.100 1.00 0.86 O ATOM 1469 CB THR A 626 -14.301 8.645 10.523 1.00 1.14 C ATOM 1470 OG1 THR A 626 -14.110 10.035 10.653 1.00 1.14 O ATOM 1471 CG2 THR A 626 -12.935 7.952 10.540 1.00 1.11 C ATOM 0 H THR A 626 -14.594 6.481 8.474 1.00 1.12 H new ATOM 0 HA THR A 626 -16.109 8.787 9.387 1.00 1.08 H new ATOM 0 HB THR A 626 -14.879 8.265 11.366 1.00 1.14 H new ATOM 0 HG1 THR A 626 -13.581 10.219 11.457 1.00 1.14 H new ATOM 0 HG21 THR A 626 -12.399 8.226 11.449 1.00 1.11 H new ATOM 0 HG22 THR A 626 -13.075 6.871 10.513 1.00 1.11 H new ATOM 0 HG23 THR A 626 -12.357 8.265 9.670 1.00 1.11 H new ATOM 1479 N TYR A 627 -14.430 10.197 7.798 1.00 0.94 N ATOM 1480 CA TYR A 627 -13.810 10.833 6.632 1.00 0.94 C ATOM 1481 C TYR A 627 -12.286 10.600 6.691 1.00 0.97 C ATOM 1482 O TYR A 627 -11.593 11.198 7.516 1.00 1.17 O ATOM 1483 CB TYR A 627 -14.232 12.313 6.638 1.00 1.07 C ATOM 1484 CG TYR A 627 -13.899 13.161 5.420 1.00 1.63 C ATOM 1485 CD1 TYR A 627 -12.583 13.607 5.195 1.00 1.90 C ATOM 1486 CD2 TYR A 627 -14.930 13.594 4.565 1.00 3.25 C ATOM 1487 CE1 TYR A 627 -12.296 14.484 4.127 1.00 2.28 C ATOM 1488 CE2 TYR A 627 -14.655 14.481 3.507 1.00 3.89 C ATOM 1489 CZ TYR A 627 -13.335 14.920 3.278 1.00 2.96 C ATOM 1490 OH TYR A 627 -13.071 15.720 2.212 1.00 3.65 O ATOM 0 H TYR A 627 -14.798 10.866 8.474 1.00 0.94 H new ATOM 0 HA TYR A 627 -14.139 10.407 5.684 1.00 0.94 H new ATOM 0 HB2 TYR A 627 -15.311 12.351 6.785 1.00 1.07 H new ATOM 0 HB3 TYR A 627 -13.775 12.786 7.508 1.00 1.07 H new ATOM 0 HD1 TYR A 627 -11.787 13.275 5.845 1.00 1.90 H new ATOM 0 HD2 TYR A 627 -15.939 13.243 4.722 1.00 3.25 H new ATOM 0 HE1 TYR A 627 -11.283 14.821 3.960 1.00 2.28 H new ATOM 0 HE2 TYR A 627 -15.456 14.826 2.870 1.00 3.89 H new ATOM 0 HH TYR A 627 -13.905 15.920 1.739 1.00 3.65 H new ATOM 1500 N CYS A 628 -11.766 9.688 5.863 1.00 0.83 N ATOM 1501 CA CYS A 628 -10.414 9.127 5.975 1.00 0.83 C ATOM 1502 C CYS A 628 -9.533 9.492 4.773 1.00 0.74 C ATOM 1503 O CYS A 628 -9.942 9.342 3.619 1.00 0.74 O ATOM 1504 CB CYS A 628 -10.511 7.600 6.153 1.00 0.80 C ATOM 1505 SG CYS A 628 -8.925 6.894 6.684 1.00 2.42 S ATOM 0 H CYS A 628 -12.288 9.308 5.074 1.00 0.83 H new ATOM 0 HA CYS A 628 -9.932 9.564 6.850 1.00 0.83 H new ATOM 0 HB2 CYS A 628 -11.280 7.366 6.889 1.00 0.80 H new ATOM 0 HB3 CYS A 628 -10.819 7.141 5.213 1.00 0.80 H new ATOM 0 HG CYS A 628 -8.115 7.853 7.023 1.00 2.42 H new ATOM 1511 N ARG A 629 -8.291 9.900 5.059 1.00 0.69 N ATOM 1512 CA ARG A 629 -7.219 10.161 4.088 1.00 0.64 C ATOM 1513 C ARG A 629 -6.434 8.872 3.821 1.00 0.64 C ATOM 1514 O ARG A 629 -5.878 8.275 4.749 1.00 0.78 O ATOM 1515 CB ARG A 629 -6.255 11.239 4.630 1.00 0.77 C ATOM 1516 CG ARG A 629 -6.857 12.455 5.344 1.00 1.60 C ATOM 1517 CD ARG A 629 -7.719 13.358 4.470 1.00 1.69 C ATOM 1518 NE ARG A 629 -8.372 14.377 5.315 1.00 2.97 N ATOM 1519 CZ ARG A 629 -8.190 15.682 5.344 1.00 3.27 C ATOM 1520 NH1 ARG A 629 -7.255 16.280 4.669 1.00 2.89 N ATOM 1521 NH2 ARG A 629 -8.958 16.428 6.084 1.00 4.72 N ATOM 0 H ARG A 629 -7.991 10.065 6.020 1.00 0.69 H new ATOM 0 HA ARG A 629 -7.670 10.516 3.161 1.00 0.64 H new ATOM 0 HB2 ARG A 629 -5.567 10.753 5.322 1.00 0.77 H new ATOM 0 HB3 ARG A 629 -5.660 11.605 3.793 1.00 0.77 H new ATOM 0 HG2 ARG A 629 -7.460 12.103 6.181 1.00 1.60 H new ATOM 0 HG3 ARG A 629 -6.045 13.049 5.763 1.00 1.60 H new ATOM 0 HD2 ARG A 629 -7.105 13.839 3.709 1.00 1.69 H new ATOM 0 HD3 ARG A 629 -8.471 12.767 3.947 1.00 1.69 H new ATOM 0 HE ARG A 629 -9.065 14.019 5.972 1.00 2.97 H new ATOM 0 HH11 ARG A 629 -6.621 15.736 4.083 1.00 2.89 H new ATOM 0 HH12 ARG A 629 -7.155 17.294 4.725 1.00 2.89 H new ATOM 0 HH21 ARG A 629 -9.699 16.003 6.640 1.00 4.72 H new ATOM 0 HH22 ARG A 629 -8.818 17.438 6.108 1.00 4.72 H new ATOM 1535 N LEU A 630 -6.357 8.468 2.561 1.00 0.61 N ATOM 1536 CA LEU A 630 -5.605 7.320 2.049 1.00 0.61 C ATOM 1537 C LEU A 630 -4.553 7.751 1.011 1.00 0.63 C ATOM 1538 O LEU A 630 -4.547 8.874 0.509 1.00 0.77 O ATOM 1539 CB LEU A 630 -6.575 6.286 1.434 1.00 0.63 C ATOM 1540 CG LEU A 630 -7.648 5.697 2.368 1.00 0.58 C ATOM 1541 CD1 LEU A 630 -8.340 4.528 1.670 1.00 0.65 C ATOM 1542 CD2 LEU A 630 -7.073 5.134 3.662 1.00 0.62 C ATOM 0 H LEU A 630 -6.849 8.963 1.817 1.00 0.61 H new ATOM 0 HA LEU A 630 -5.075 6.863 2.885 1.00 0.61 H new ATOM 0 HB2 LEU A 630 -7.080 6.755 0.590 1.00 0.63 H new ATOM 0 HB3 LEU A 630 -5.984 5.462 1.034 1.00 0.63 H new ATOM 0 HG LEU A 630 -8.326 6.518 2.602 1.00 0.58 H new ATOM 0 HD11 LEU A 630 -9.100 4.109 2.329 1.00 0.65 H new ATOM 0 HD12 LEU A 630 -8.810 4.879 0.751 1.00 0.65 H new ATOM 0 HD13 LEU A 630 -7.604 3.760 1.431 1.00 0.65 H new ATOM 0 HD21 LEU A 630 -7.881 4.735 4.276 1.00 0.62 H new ATOM 0 HD22 LEU A 630 -6.366 4.338 3.430 1.00 0.62 H new ATOM 0 HD23 LEU A 630 -6.561 5.926 4.208 1.00 0.62 H new ATOM 1554 N TYR A 631 -3.673 6.818 0.665 1.00 0.62 N ATOM 1555 CA TYR A 631 -2.651 6.953 -0.372 1.00 0.63 C ATOM 1556 C TYR A 631 -2.734 5.770 -1.344 1.00 0.66 C ATOM 1557 O TYR A 631 -3.066 4.655 -0.928 1.00 0.81 O ATOM 1558 CB TYR A 631 -1.279 7.052 0.311 1.00 0.84 C ATOM 1559 CG TYR A 631 -0.637 8.417 0.208 1.00 2.02 C ATOM 1560 CD1 TYR A 631 -0.181 8.872 -1.038 1.00 3.20 C ATOM 1561 CD2 TYR A 631 -0.526 9.238 1.344 1.00 3.44 C ATOM 1562 CE1 TYR A 631 0.324 10.184 -1.174 1.00 4.75 C ATOM 1563 CE2 TYR A 631 -0.014 10.542 1.220 1.00 4.98 C ATOM 1564 CZ TYR A 631 0.390 11.027 -0.040 1.00 5.42 C ATOM 1565 OH TYR A 631 0.805 12.317 -0.137 1.00 7.14 O ATOM 0 H TYR A 631 -3.650 5.905 1.119 1.00 0.62 H new ATOM 0 HA TYR A 631 -2.810 7.857 -0.960 1.00 0.63 H new ATOM 0 HB2 TYR A 631 -1.389 6.792 1.364 1.00 0.84 H new ATOM 0 HB3 TYR A 631 -0.610 6.313 -0.131 1.00 0.84 H new ATOM 0 HD1 TYR A 631 -0.216 8.217 -1.896 1.00 3.20 H new ATOM 0 HD2 TYR A 631 -0.834 8.868 2.311 1.00 3.44 H new ATOM 0 HE1 TYR A 631 0.657 10.541 -2.137 1.00 4.75 H new ATOM 0 HE2 TYR A 631 0.070 11.173 2.092 1.00 4.98 H new ATOM 0 HH TYR A 631 0.781 12.736 0.749 1.00 7.14 H new ATOM 1575 N SER A 632 -2.454 6.011 -2.630 1.00 0.67 N ATOM 1576 CA SER A 632 -2.622 5.030 -3.709 1.00 0.86 C ATOM 1577 C SER A 632 -1.378 4.945 -4.598 1.00 0.83 C ATOM 1578 O SER A 632 -1.040 5.912 -5.286 1.00 0.92 O ATOM 1579 CB SER A 632 -3.864 5.418 -4.521 1.00 1.12 C ATOM 1580 OG SER A 632 -4.168 4.458 -5.510 1.00 1.79 O ATOM 0 H SER A 632 -2.098 6.909 -2.956 1.00 0.67 H new ATOM 0 HA SER A 632 -2.756 4.037 -3.279 1.00 0.86 H new ATOM 0 HB2 SER A 632 -4.716 5.530 -3.850 1.00 1.12 H new ATOM 0 HB3 SER A 632 -3.701 6.387 -4.993 1.00 1.12 H new ATOM 0 HG SER A 632 -4.560 3.666 -5.087 1.00 1.79 H new ATOM 1586 N LEU A 633 -0.688 3.795 -4.586 1.00 0.82 N ATOM 1587 CA LEU A 633 0.615 3.586 -5.237 1.00 0.83 C ATOM 1588 C LEU A 633 0.549 2.411 -6.228 1.00 0.82 C ATOM 1589 O LEU A 633 0.140 1.298 -5.884 1.00 0.91 O ATOM 1590 CB LEU A 633 1.696 3.410 -4.144 1.00 0.93 C ATOM 1591 CG LEU A 633 3.148 3.780 -4.541 1.00 1.06 C ATOM 1592 CD1 LEU A 633 4.001 3.885 -3.274 1.00 1.26 C ATOM 1593 CD2 LEU A 633 3.814 2.740 -5.438 1.00 1.63 C ATOM 0 H LEU A 633 -1.030 2.961 -4.110 1.00 0.82 H new ATOM 0 HA LEU A 633 0.887 4.456 -5.834 1.00 0.83 H new ATOM 0 HB2 LEU A 633 1.413 4.016 -3.283 1.00 0.93 H new ATOM 0 HB3 LEU A 633 1.686 2.370 -3.819 1.00 0.93 H new ATOM 0 HG LEU A 633 3.085 4.720 -5.089 1.00 1.06 H new ATOM 0 HD11 LEU A 633 5.024 4.145 -3.545 1.00 1.26 H new ATOM 0 HD12 LEU A 633 3.591 4.656 -2.622 1.00 1.26 H new ATOM 0 HD13 LEU A 633 3.996 2.928 -2.752 1.00 1.26 H new ATOM 0 HD21 LEU A 633 4.827 3.062 -5.678 1.00 1.63 H new ATOM 0 HD22 LEU A 633 3.850 1.782 -4.919 1.00 1.63 H new ATOM 0 HD23 LEU A 633 3.240 2.633 -6.359 1.00 1.63 H new ATOM 1605 N SER A 634 0.964 2.657 -7.470 1.00 0.82 N ATOM 1606 CA SER A 634 1.017 1.652 -8.538 1.00 0.83 C ATOM 1607 C SER A 634 2.349 0.898 -8.569 1.00 0.78 C ATOM 1608 O SER A 634 3.430 1.494 -8.558 1.00 0.75 O ATOM 1609 CB SER A 634 0.709 2.296 -9.895 1.00 0.93 C ATOM 1610 OG SER A 634 1.572 3.391 -10.132 1.00 2.00 O ATOM 0 H SER A 634 1.280 3.579 -7.771 1.00 0.82 H new ATOM 0 HA SER A 634 0.249 0.909 -8.323 1.00 0.83 H new ATOM 0 HB2 SER A 634 0.823 1.558 -10.689 1.00 0.93 H new ATOM 0 HB3 SER A 634 -0.328 2.631 -9.918 1.00 0.93 H new ATOM 0 HG SER A 634 1.363 3.789 -11.003 1.00 2.00 H new ATOM 1616 N VAL A 635 2.291 -0.435 -8.679 1.00 0.86 N ATOM 1617 CA VAL A 635 3.514 -1.252 -8.800 1.00 0.94 C ATOM 1618 C VAL A 635 4.233 -0.988 -10.119 1.00 0.96 C ATOM 1619 O VAL A 635 5.442 -1.189 -10.209 1.00 1.09 O ATOM 1620 CB VAL A 635 3.286 -2.759 -8.582 1.00 1.11 C ATOM 1621 CG1 VAL A 635 2.345 -3.047 -7.415 1.00 1.60 C ATOM 1622 CG2 VAL A 635 2.830 -3.586 -9.769 1.00 1.74 C ATOM 0 H VAL A 635 1.423 -0.970 -8.687 1.00 0.86 H new ATOM 0 HA VAL A 635 4.159 -0.930 -7.982 1.00 0.94 H new ATOM 0 HB VAL A 635 4.305 -3.084 -8.370 1.00 1.11 H new ATOM 0 HG11 VAL A 635 2.219 -4.124 -7.306 1.00 1.60 H new ATOM 0 HG12 VAL A 635 2.767 -2.636 -6.498 1.00 1.60 H new ATOM 0 HG13 VAL A 635 1.376 -2.586 -7.607 1.00 1.60 H new ATOM 0 HG21 VAL A 635 2.712 -4.626 -9.464 1.00 1.74 H new ATOM 0 HG22 VAL A 635 1.876 -3.204 -10.134 1.00 1.74 H new ATOM 0 HG23 VAL A 635 3.574 -3.523 -10.563 1.00 1.74 H new ATOM 1632 N ASP A 636 3.503 -0.473 -11.115 1.00 0.94 N ATOM 1633 CA ASP A 636 4.037 0.045 -12.372 1.00 1.18 C ATOM 1634 C ASP A 636 5.238 0.978 -12.143 1.00 1.02 C ATOM 1635 O ASP A 636 6.291 0.763 -12.746 1.00 1.16 O ATOM 1636 CB ASP A 636 2.921 0.791 -13.122 1.00 1.49 C ATOM 1637 CG ASP A 636 1.808 -0.155 -13.572 1.00 1.82 C ATOM 1638 OD1 ASP A 636 1.949 -0.775 -14.650 1.00 2.42 O ATOM 1639 OD2 ASP A 636 0.797 -0.314 -12.850 1.00 2.37 O ATOM 0 H ASP A 636 2.487 -0.405 -11.062 1.00 0.94 H new ATOM 0 HA ASP A 636 4.391 -0.796 -12.967 1.00 1.18 H new ATOM 0 HB2 ASP A 636 2.503 1.563 -12.476 1.00 1.49 H new ATOM 0 HB3 ASP A 636 3.342 1.296 -13.991 1.00 1.49 H new ATOM 1644 N ASN A 637 5.113 1.955 -11.231 1.00 0.84 N ATOM 1645 CA ASN A 637 6.185 2.896 -10.914 1.00 0.76 C ATOM 1646 C ASN A 637 7.252 2.340 -9.958 1.00 0.74 C ATOM 1647 O ASN A 637 8.421 2.641 -10.174 1.00 0.97 O ATOM 1648 CB ASN A 637 5.591 4.233 -10.445 1.00 0.88 C ATOM 1649 CG ASN A 637 4.993 4.970 -11.625 1.00 1.24 C ATOM 1650 OD1 ASN A 637 3.789 5.025 -11.815 1.00 2.10 O ATOM 1651 ND2 ASN A 637 5.802 5.541 -12.480 1.00 1.42 N ATOM 0 H ASN A 637 4.260 2.110 -10.694 1.00 0.84 H new ATOM 0 HA ASN A 637 6.738 3.072 -11.837 1.00 0.76 H new ATOM 0 HB2 ASN A 637 4.826 4.056 -9.689 1.00 0.88 H new ATOM 0 HB3 ASN A 637 6.365 4.842 -9.979 1.00 0.88 H new ATOM 0 HD21 ASN A 637 5.424 6.025 -13.294 1.00 1.42 H new ATOM 0 HD22 ASN A 637 6.810 5.502 -12.332 1.00 1.42 H new ATOM 1658 N PHE A 638 6.916 1.486 -8.979 1.00 0.66 N ATOM 1659 CA PHE A 638 7.916 0.736 -8.189 1.00 0.70 C ATOM 1660 C PHE A 638 8.910 -0.039 -9.078 1.00 0.79 C ATOM 1661 O PHE A 638 10.114 -0.068 -8.826 1.00 0.79 O ATOM 1662 CB PHE A 638 7.211 -0.239 -7.242 1.00 0.86 C ATOM 1663 CG PHE A 638 8.153 -0.927 -6.265 1.00 1.13 C ATOM 1664 CD1 PHE A 638 8.935 -2.031 -6.671 1.00 2.42 C ATOM 1665 CD2 PHE A 638 8.167 -0.535 -4.913 1.00 1.59 C ATOM 1666 CE1 PHE A 638 9.748 -2.705 -5.743 1.00 2.75 C ATOM 1667 CE2 PHE A 638 8.981 -1.207 -3.987 1.00 1.70 C ATOM 1668 CZ PHE A 638 9.772 -2.287 -4.403 1.00 1.83 C ATOM 0 H PHE A 638 5.951 1.294 -8.711 1.00 0.66 H new ATOM 0 HA PHE A 638 8.487 1.469 -7.618 1.00 0.70 H new ATOM 0 HB2 PHE A 638 6.449 0.300 -6.680 1.00 0.86 H new ATOM 0 HB3 PHE A 638 6.696 -0.997 -7.832 1.00 0.86 H new ATOM 0 HD1 PHE A 638 8.908 -2.359 -7.700 1.00 2.42 H new ATOM 0 HD2 PHE A 638 7.548 0.287 -4.586 1.00 1.59 H new ATOM 0 HE1 PHE A 638 10.352 -3.542 -6.060 1.00 2.75 H new ATOM 0 HE2 PHE A 638 8.998 -0.892 -2.954 1.00 1.70 H new ATOM 0 HZ PHE A 638 10.402 -2.799 -3.691 1.00 1.83 H new ATOM 1678 N ASN A 639 8.403 -0.657 -10.144 1.00 0.93 N ATOM 1679 CA ASN A 639 9.194 -1.434 -11.095 1.00 1.05 C ATOM 1680 C ASN A 639 10.013 -0.549 -12.067 1.00 1.10 C ATOM 1681 O ASN A 639 11.062 -0.971 -12.550 1.00 1.20 O ATOM 1682 CB ASN A 639 8.212 -2.388 -11.797 1.00 1.10 C ATOM 1683 CG ASN A 639 7.903 -3.628 -10.981 1.00 1.26 C ATOM 1684 OD1 ASN A 639 8.643 -4.604 -11.020 1.00 1.83 O ATOM 1685 ND2 ASN A 639 6.829 -3.647 -10.231 1.00 1.28 N ATOM 0 H ASN A 639 7.410 -0.630 -10.375 1.00 0.93 H new ATOM 0 HA ASN A 639 9.966 -2.007 -10.582 1.00 1.05 H new ATOM 0 HB2 ASN A 639 7.284 -1.856 -12.005 1.00 1.10 H new ATOM 0 HB3 ASN A 639 8.630 -2.687 -12.758 1.00 1.10 H new ATOM 0 HD21 ASN A 639 6.608 -4.475 -9.678 1.00 1.28 H new ATOM 0 HD22 ASN A 639 6.214 -2.834 -10.200 1.00 1.28 H new ATOM 1692 N GLU A 640 9.588 0.696 -12.306 1.00 1.06 N ATOM 1693 CA GLU A 640 10.282 1.687 -13.147 1.00 1.16 C ATOM 1694 C GLU A 640 11.523 2.314 -12.483 1.00 1.19 C ATOM 1695 O GLU A 640 12.589 2.422 -13.093 1.00 1.33 O ATOM 1696 CB GLU A 640 9.297 2.827 -13.451 1.00 1.14 C ATOM 1697 CG GLU A 640 8.400 2.608 -14.680 1.00 1.84 C ATOM 1698 CD GLU A 640 9.108 2.712 -16.036 1.00 2.38 C ATOM 1699 OE1 GLU A 640 10.311 3.060 -16.105 1.00 2.84 O ATOM 1700 OE2 GLU A 640 8.433 2.507 -17.075 1.00 3.40 O ATOM 0 H GLU A 640 8.722 1.058 -11.907 1.00 1.06 H new ATOM 0 HA GLU A 640 10.622 1.159 -14.038 1.00 1.16 H new ATOM 0 HB2 GLU A 640 8.661 2.978 -12.579 1.00 1.14 H new ATOM 0 HB3 GLU A 640 9.864 3.747 -13.594 1.00 1.14 H new ATOM 0 HG2 GLU A 640 7.941 1.622 -14.603 1.00 1.84 H new ATOM 0 HG3 GLU A 640 7.592 3.339 -14.654 1.00 1.84 H new ATOM 1707 N VAL A 641 11.374 2.773 -11.242 1.00 1.15 N ATOM 1708 CA VAL A 641 12.405 3.439 -10.413 1.00 1.20 C ATOM 1709 C VAL A 641 13.513 2.490 -9.950 1.00 1.30 C ATOM 1710 O VAL A 641 14.647 2.924 -9.756 1.00 1.39 O ATOM 1711 CB VAL A 641 11.715 4.124 -9.215 1.00 1.05 C ATOM 1712 CG1 VAL A 641 10.832 3.160 -8.420 1.00 1.01 C ATOM 1713 CG2 VAL A 641 12.658 4.828 -8.230 1.00 1.07 C ATOM 0 H VAL A 641 10.484 2.691 -10.750 1.00 1.15 H new ATOM 0 HA VAL A 641 12.905 4.184 -11.032 1.00 1.20 H new ATOM 0 HB VAL A 641 11.110 4.892 -9.696 1.00 1.05 H new ATOM 0 HG11 VAL A 641 10.370 3.692 -7.588 1.00 1.01 H new ATOM 0 HG12 VAL A 641 10.055 2.758 -9.070 1.00 1.01 H new ATOM 0 HG13 VAL A 641 11.441 2.343 -8.034 1.00 1.01 H new ATOM 0 HG21 VAL A 641 12.075 5.277 -7.426 1.00 1.07 H new ATOM 0 HG22 VAL A 641 13.355 4.102 -7.811 1.00 1.07 H new ATOM 0 HG23 VAL A 641 13.215 5.606 -8.752 1.00 1.07 H new ATOM 1723 N LEU A 642 13.211 1.196 -9.799 1.00 1.27 N ATOM 1724 CA LEU A 642 14.128 0.187 -9.251 1.00 1.19 C ATOM 1725 C LEU A 642 15.523 0.174 -9.912 1.00 1.20 C ATOM 1726 O LEU A 642 16.538 0.060 -9.228 1.00 1.31 O ATOM 1727 CB LEU A 642 13.452 -1.202 -9.348 1.00 1.22 C ATOM 1728 CG LEU A 642 13.334 -1.958 -8.011 1.00 1.28 C ATOM 1729 CD1 LEU A 642 12.854 -3.386 -8.275 1.00 1.60 C ATOM 1730 CD2 LEU A 642 14.656 -2.038 -7.245 1.00 2.16 C ATOM 0 H LEU A 642 12.303 0.811 -10.060 1.00 1.27 H new ATOM 0 HA LEU A 642 14.317 0.451 -8.211 1.00 1.19 H new ATOM 0 HB2 LEU A 642 12.454 -1.076 -9.767 1.00 1.22 H new ATOM 0 HB3 LEU A 642 14.017 -1.817 -10.048 1.00 1.22 H new ATOM 0 HG LEU A 642 12.625 -1.398 -7.401 1.00 1.28 H new ATOM 0 HD11 LEU A 642 12.770 -3.922 -7.330 1.00 1.60 H new ATOM 0 HD12 LEU A 642 11.880 -3.358 -8.764 1.00 1.60 H new ATOM 0 HD13 LEU A 642 13.569 -3.897 -8.920 1.00 1.60 H new ATOM 0 HD21 LEU A 642 14.504 -2.583 -6.313 1.00 2.16 H new ATOM 0 HD22 LEU A 642 15.397 -2.557 -7.852 1.00 2.16 H new ATOM 0 HD23 LEU A 642 15.010 -1.031 -7.023 1.00 2.16 H new ATOM 1742 N GLU A 643 15.596 0.345 -11.234 1.00 1.27 N ATOM 1743 CA GLU A 643 16.814 0.293 -12.025 1.00 1.35 C ATOM 1744 C GLU A 643 17.778 1.487 -11.839 1.00 1.29 C ATOM 1745 O GLU A 643 18.937 1.405 -12.264 1.00 1.36 O ATOM 1746 CB GLU A 643 16.337 0.092 -13.465 1.00 1.55 C ATOM 1747 CG GLU A 643 15.805 1.344 -14.179 1.00 2.87 C ATOM 1748 CD GLU A 643 16.879 2.033 -15.027 1.00 4.31 C ATOM 1749 OE1 GLU A 643 17.323 1.456 -16.053 1.00 4.58 O ATOM 1750 OE2 GLU A 643 17.260 3.183 -14.719 1.00 5.70 O ATOM 0 H GLU A 643 14.769 0.531 -11.801 1.00 1.27 H new ATOM 0 HA GLU A 643 17.451 -0.526 -11.691 1.00 1.35 H new ATOM 0 HB2 GLU A 643 17.165 -0.310 -14.048 1.00 1.55 H new ATOM 0 HB3 GLU A 643 15.551 -0.663 -13.464 1.00 1.55 H new ATOM 0 HG2 GLU A 643 14.965 1.066 -14.816 1.00 2.87 H new ATOM 0 HG3 GLU A 643 15.424 2.047 -13.438 1.00 2.87 H new ATOM 1757 N GLU A 644 17.343 2.566 -11.170 1.00 1.22 N ATOM 1758 CA GLU A 644 18.198 3.673 -10.718 1.00 1.21 C ATOM 1759 C GLU A 644 19.050 3.300 -9.488 1.00 1.17 C ATOM 1760 O GLU A 644 20.041 3.968 -9.176 1.00 1.26 O ATOM 1761 CB GLU A 644 17.310 4.860 -10.354 1.00 1.17 C ATOM 1762 CG GLU A 644 16.562 5.444 -11.556 1.00 1.27 C ATOM 1763 CD GLU A 644 17.256 6.675 -12.150 1.00 1.46 C ATOM 1764 OE1 GLU A 644 18.343 6.531 -12.762 1.00 1.89 O ATOM 1765 OE2 GLU A 644 16.704 7.799 -12.026 1.00 2.31 O ATOM 0 H GLU A 644 16.362 2.695 -10.922 1.00 1.22 H new ATOM 0 HA GLU A 644 18.881 3.916 -11.532 1.00 1.21 H new ATOM 0 HB2 GLU A 644 16.587 4.547 -9.601 1.00 1.17 H new ATOM 0 HB3 GLU A 644 17.923 5.639 -9.902 1.00 1.17 H new ATOM 0 HG2 GLU A 644 16.469 4.679 -12.326 1.00 1.27 H new ATOM 0 HG3 GLU A 644 15.551 5.715 -11.252 1.00 1.27 H new ATOM 1772 N TYR A 645 18.655 2.236 -8.785 1.00 1.10 N ATOM 1773 CA TYR A 645 19.250 1.733 -7.543 1.00 1.07 C ATOM 1774 C TYR A 645 19.505 0.212 -7.654 1.00 1.14 C ATOM 1775 O TYR A 645 18.892 -0.575 -6.926 1.00 1.13 O ATOM 1776 CB TYR A 645 18.334 2.105 -6.361 1.00 1.00 C ATOM 1777 CG TYR A 645 17.989 3.583 -6.275 1.00 1.01 C ATOM 1778 CD1 TYR A 645 18.810 4.471 -5.555 1.00 1.70 C ATOM 1779 CD2 TYR A 645 16.856 4.071 -6.953 1.00 2.23 C ATOM 1780 CE1 TYR A 645 18.511 5.848 -5.533 1.00 1.64 C ATOM 1781 CE2 TYR A 645 16.559 5.446 -6.946 1.00 2.34 C ATOM 1782 CZ TYR A 645 17.388 6.342 -6.232 1.00 1.16 C ATOM 1783 OH TYR A 645 17.117 7.675 -6.224 1.00 1.31 O ATOM 0 H TYR A 645 17.863 1.668 -9.085 1.00 1.10 H new ATOM 0 HA TYR A 645 20.220 2.197 -7.367 1.00 1.07 H new ATOM 0 HB2 TYR A 645 17.410 1.533 -6.439 1.00 1.00 H new ATOM 0 HB3 TYR A 645 18.818 1.803 -5.433 1.00 1.00 H new ATOM 0 HD1 TYR A 645 19.670 4.097 -5.019 1.00 1.70 H new ATOM 0 HD2 TYR A 645 16.211 3.385 -7.482 1.00 2.23 H new ATOM 0 HE1 TYR A 645 19.143 6.527 -4.980 1.00 1.64 H new ATOM 0 HE2 TYR A 645 15.700 5.817 -7.485 1.00 2.34 H new ATOM 0 HH TYR A 645 16.311 7.848 -6.754 1.00 1.31 H new ATOM 1793 N PRO A 646 20.374 -0.243 -8.584 1.00 1.25 N ATOM 1794 CA PRO A 646 20.511 -1.658 -8.946 1.00 1.36 C ATOM 1795 C PRO A 646 20.888 -2.594 -7.784 1.00 1.40 C ATOM 1796 O PRO A 646 20.528 -3.772 -7.832 1.00 1.45 O ATOM 1797 CB PRO A 646 21.544 -1.698 -10.077 1.00 1.52 C ATOM 1798 CG PRO A 646 22.339 -0.405 -9.895 1.00 1.47 C ATOM 1799 CD PRO A 646 21.273 0.565 -9.396 1.00 1.33 C ATOM 0 HA PRO A 646 19.541 -2.046 -9.256 1.00 1.36 H new ATOM 0 HB2 PRO A 646 22.186 -2.576 -10.001 1.00 1.52 H new ATOM 0 HB3 PRO A 646 21.064 -1.738 -11.055 1.00 1.52 H new ATOM 0 HG2 PRO A 646 23.149 -0.524 -9.176 1.00 1.47 H new ATOM 0 HG3 PRO A 646 22.789 -0.069 -10.829 1.00 1.47 H new ATOM 0 HD2 PRO A 646 21.716 1.370 -8.810 1.00 1.33 H new ATOM 0 HD3 PRO A 646 20.743 1.030 -10.227 1.00 1.33 H new ATOM 1807 N MET A 647 21.497 -2.091 -6.702 1.00 1.41 N ATOM 1808 CA MET A 647 21.658 -2.831 -5.438 1.00 1.51 C ATOM 1809 C MET A 647 20.314 -3.368 -4.913 1.00 1.40 C ATOM 1810 O MET A 647 20.214 -4.529 -4.520 1.00 1.52 O ATOM 1811 CB MET A 647 22.280 -1.886 -4.401 1.00 1.62 C ATOM 1812 CG MET A 647 22.444 -2.503 -3.006 1.00 1.65 C ATOM 1813 SD MET A 647 22.801 -1.288 -1.712 1.00 1.52 S ATOM 1814 CE MET A 647 21.144 -0.576 -1.518 1.00 1.23 C ATOM 0 H MET A 647 21.896 -1.152 -6.677 1.00 1.41 H new ATOM 0 HA MET A 647 22.303 -3.691 -5.616 1.00 1.51 H new ATOM 0 HB2 MET A 647 23.257 -1.563 -4.760 1.00 1.62 H new ATOM 0 HB3 MET A 647 21.659 -0.994 -4.321 1.00 1.62 H new ATOM 0 HG2 MET A 647 21.532 -3.040 -2.746 1.00 1.65 H new ATOM 0 HG3 MET A 647 23.249 -3.237 -3.035 1.00 1.65 H new ATOM 0 HE1 MET A 647 21.106 0.012 -0.601 1.00 1.23 H new ATOM 0 HE2 MET A 647 20.922 0.067 -2.370 1.00 1.23 H new ATOM 0 HE3 MET A 647 20.407 -1.378 -1.467 1.00 1.23 H new ATOM 1824 N MET A 648 19.262 -2.546 -4.940 1.00 1.22 N ATOM 1825 CA MET A 648 17.913 -2.958 -4.545 1.00 1.13 C ATOM 1826 C MET A 648 17.237 -3.836 -5.609 1.00 1.26 C ATOM 1827 O MET A 648 16.408 -4.670 -5.255 1.00 1.32 O ATOM 1828 CB MET A 648 17.063 -1.722 -4.205 1.00 0.94 C ATOM 1829 CG MET A 648 17.460 -1.054 -2.881 1.00 1.02 C ATOM 1830 SD MET A 648 17.450 -2.100 -1.390 1.00 1.47 S ATOM 1831 CE MET A 648 15.778 -2.812 -1.447 1.00 1.60 C ATOM 0 H MET A 648 19.322 -1.572 -5.238 1.00 1.22 H new ATOM 0 HA MET A 648 17.999 -3.577 -3.652 1.00 1.13 H new ATOM 0 HB2 MET A 648 17.154 -0.995 -5.012 1.00 0.94 H new ATOM 0 HB3 MET A 648 16.014 -2.014 -4.156 1.00 0.94 H new ATOM 0 HG2 MET A 648 18.462 -0.640 -2.998 1.00 1.02 H new ATOM 0 HG3 MET A 648 16.786 -0.214 -2.710 1.00 1.02 H new ATOM 0 HE1 MET A 648 15.603 -3.402 -0.548 1.00 1.60 H new ATOM 0 HE2 MET A 648 15.043 -2.009 -1.503 1.00 1.60 H new ATOM 0 HE3 MET A 648 15.685 -3.452 -2.325 1.00 1.60 H new ATOM 1841 N ARG A 649 17.624 -3.731 -6.890 1.00 1.38 N ATOM 1842 CA ARG A 649 17.129 -4.625 -7.954 1.00 1.56 C ATOM 1843 C ARG A 649 17.624 -6.054 -7.720 1.00 1.80 C ATOM 1844 O ARG A 649 16.804 -6.960 -7.589 1.00 1.89 O ATOM 1845 CB ARG A 649 17.491 -4.052 -9.342 1.00 1.66 C ATOM 1846 CG ARG A 649 16.516 -4.413 -10.478 1.00 1.90 C ATOM 1847 CD ARG A 649 16.439 -5.908 -10.814 1.00 1.84 C ATOM 1848 NE ARG A 649 15.730 -6.139 -12.087 1.00 2.51 N ATOM 1849 CZ ARG A 649 14.423 -6.217 -12.274 1.00 3.44 C ATOM 1850 NH1 ARG A 649 13.553 -6.187 -11.312 1.00 4.21 N ATOM 1851 NH2 ARG A 649 13.909 -6.370 -13.454 1.00 4.45 N ATOM 0 H ARG A 649 18.286 -3.028 -7.219 1.00 1.38 H new ATOM 0 HA ARG A 649 16.041 -4.678 -7.924 1.00 1.56 H new ATOM 0 HB2 ARG A 649 17.547 -2.966 -9.265 1.00 1.66 H new ATOM 0 HB3 ARG A 649 18.486 -4.404 -9.614 1.00 1.66 H new ATOM 0 HG2 ARG A 649 15.520 -4.065 -10.206 1.00 1.90 H new ATOM 0 HG3 ARG A 649 16.810 -3.869 -11.376 1.00 1.90 H new ATOM 0 HD2 ARG A 649 17.446 -6.320 -10.877 1.00 1.84 H new ATOM 0 HD3 ARG A 649 15.927 -6.437 -10.010 1.00 1.84 H new ATOM 0 HE ARG A 649 16.313 -6.251 -12.916 1.00 2.51 H new ATOM 0 HH11 ARG A 649 13.865 -6.099 -10.345 1.00 4.21 H new ATOM 0 HH12 ARG A 649 12.557 -6.252 -11.523 1.00 4.21 H new ATOM 0 HH21 ARG A 649 14.517 -6.434 -14.271 1.00 4.45 H new ATOM 0 HH22 ARG A 649 12.897 -6.427 -13.566 1.00 4.45 H new ATOM 1865 N ARG A 650 18.935 -6.267 -7.528 1.00 1.92 N ATOM 1866 CA ARG A 650 19.475 -7.603 -7.176 1.00 2.11 C ATOM 1867 C ARG A 650 18.916 -8.159 -5.868 1.00 2.11 C ATOM 1868 O ARG A 650 18.661 -9.356 -5.766 1.00 2.31 O ATOM 1869 CB ARG A 650 21.012 -7.649 -7.213 1.00 2.22 C ATOM 1870 CG ARG A 650 21.841 -6.695 -6.329 1.00 2.82 C ATOM 1871 CD ARG A 650 22.017 -7.099 -4.852 1.00 2.36 C ATOM 1872 NE ARG A 650 22.669 -8.412 -4.726 1.00 2.51 N ATOM 1873 CZ ARG A 650 22.608 -9.269 -3.726 1.00 3.30 C ATOM 1874 NH1 ARG A 650 21.963 -9.038 -2.619 1.00 3.92 N ATOM 1875 NH2 ARG A 650 23.211 -10.409 -3.863 1.00 4.34 N ATOM 0 H ARG A 650 19.644 -5.538 -7.609 1.00 1.92 H new ATOM 0 HA ARG A 650 19.120 -8.271 -7.961 1.00 2.11 H new ATOM 0 HB2 ARG A 650 21.311 -8.666 -6.958 1.00 2.22 H new ATOM 0 HB3 ARG A 650 21.315 -7.477 -8.246 1.00 2.22 H new ATOM 0 HG2 ARG A 650 22.831 -6.592 -6.774 1.00 2.82 H new ATOM 0 HG3 ARG A 650 21.374 -5.711 -6.359 1.00 2.82 H new ATOM 0 HD2 ARG A 650 22.612 -6.345 -4.336 1.00 2.36 H new ATOM 0 HD3 ARG A 650 21.043 -7.127 -4.363 1.00 2.36 H new ATOM 0 HE ARG A 650 23.245 -8.697 -5.518 1.00 2.51 H new ATOM 0 HH11 ARG A 650 21.469 -8.155 -2.491 1.00 3.92 H new ATOM 0 HH12 ARG A 650 21.951 -9.740 -1.879 1.00 3.92 H new ATOM 0 HH21 ARG A 650 23.713 -10.620 -4.725 1.00 4.34 H new ATOM 0 HH22 ARG A 650 23.183 -11.095 -3.108 1.00 4.34 H new ATOM 1889 N ALA A 651 18.642 -7.278 -4.911 1.00 1.90 N ATOM 1890 CA ALA A 651 18.034 -7.623 -3.625 1.00 1.91 C ATOM 1891 C ALA A 651 16.611 -8.209 -3.747 1.00 1.99 C ATOM 1892 O ALA A 651 16.163 -8.919 -2.844 1.00 2.10 O ATOM 1893 CB ALA A 651 17.998 -6.368 -2.748 1.00 1.71 C ATOM 0 H ALA A 651 18.840 -6.282 -5.007 1.00 1.90 H new ATOM 0 HA ALA A 651 18.648 -8.406 -3.179 1.00 1.91 H new ATOM 0 HB1 ALA A 651 17.547 -6.610 -1.785 1.00 1.71 H new ATOM 0 HB2 ALA A 651 19.013 -6.004 -2.592 1.00 1.71 H new ATOM 0 HB3 ALA A 651 17.408 -5.596 -3.242 1.00 1.71 H new ATOM 1899 N PHE A 652 15.899 -7.907 -4.838 1.00 1.95 N ATOM 1900 CA PHE A 652 14.631 -8.533 -5.212 1.00 2.10 C ATOM 1901 C PHE A 652 14.766 -9.714 -6.196 1.00 2.41 C ATOM 1902 O PHE A 652 13.945 -10.633 -6.162 1.00 2.65 O ATOM 1903 CB PHE A 652 13.686 -7.451 -5.738 1.00 1.84 C ATOM 1904 CG PHE A 652 13.077 -6.562 -4.666 1.00 1.68 C ATOM 1905 CD1 PHE A 652 12.286 -7.120 -3.645 1.00 1.99 C ATOM 1906 CD2 PHE A 652 13.269 -5.168 -4.704 1.00 2.51 C ATOM 1907 CE1 PHE A 652 11.680 -6.291 -2.686 1.00 2.04 C ATOM 1908 CE2 PHE A 652 12.659 -4.336 -3.748 1.00 2.40 C ATOM 1909 CZ PHE A 652 11.846 -4.895 -2.745 1.00 1.58 C ATOM 0 H PHE A 652 16.201 -7.197 -5.505 1.00 1.95 H new ATOM 0 HA PHE A 652 14.215 -8.990 -4.314 1.00 2.10 H new ATOM 0 HB2 PHE A 652 14.231 -6.824 -6.444 1.00 1.84 H new ATOM 0 HB3 PHE A 652 12.880 -7.931 -6.294 1.00 1.84 H new ATOM 0 HD1 PHE A 652 12.144 -8.190 -3.598 1.00 1.99 H new ATOM 0 HD2 PHE A 652 13.890 -4.734 -5.474 1.00 2.51 H new ATOM 0 HE1 PHE A 652 11.083 -6.728 -1.899 1.00 2.04 H new ATOM 0 HE2 PHE A 652 12.815 -3.268 -3.784 1.00 2.40 H new ATOM 0 HZ PHE A 652 11.353 -4.258 -2.026 1.00 1.58 H new ATOM 1919 N GLU A 653 15.791 -9.763 -7.052 1.00 2.48 N ATOM 1920 CA GLU A 653 16.051 -10.941 -7.905 1.00 2.79 C ATOM 1921 C GLU A 653 16.506 -12.159 -7.074 1.00 2.91 C ATOM 1922 O GLU A 653 16.063 -13.281 -7.329 1.00 2.94 O ATOM 1923 CB GLU A 653 17.087 -10.624 -9.002 1.00 2.93 C ATOM 1924 CG GLU A 653 16.717 -9.494 -9.982 1.00 2.65 C ATOM 1925 CD GLU A 653 15.542 -9.816 -10.917 1.00 2.68 C ATOM 1926 OE1 GLU A 653 14.383 -9.856 -10.434 1.00 2.76 O ATOM 1927 OE2 GLU A 653 15.763 -9.989 -12.143 1.00 3.65 O ATOM 0 H GLU A 653 16.459 -9.002 -7.177 1.00 2.48 H new ATOM 0 HA GLU A 653 15.107 -11.196 -8.387 1.00 2.79 H new ATOM 0 HB2 GLU A 653 18.029 -10.364 -8.519 1.00 2.93 H new ATOM 0 HB3 GLU A 653 17.265 -11.532 -9.578 1.00 2.93 H new ATOM 0 HG2 GLU A 653 16.473 -8.600 -9.409 1.00 2.65 H new ATOM 0 HG3 GLU A 653 17.591 -9.256 -10.588 1.00 2.65 H new ATOM 1934 N THR A 654 17.313 -11.954 -6.027 1.00 2.96 N ATOM 1935 CA THR A 654 17.949 -13.042 -5.239 1.00 3.24 C ATOM 1936 C THR A 654 16.945 -13.845 -4.403 1.00 3.39 C ATOM 1937 O THR A 654 17.136 -15.024 -4.109 1.00 3.76 O ATOM 1938 CB THR A 654 19.073 -12.475 -4.353 1.00 3.12 C ATOM 1939 OG1 THR A 654 19.792 -13.499 -3.693 1.00 3.41 O ATOM 1940 CG2 THR A 654 18.543 -11.551 -3.259 1.00 2.75 C ATOM 0 H THR A 654 17.552 -11.021 -5.691 1.00 2.96 H new ATOM 0 HA THR A 654 18.377 -13.742 -5.956 1.00 3.24 H new ATOM 0 HB THR A 654 19.716 -11.924 -5.040 1.00 3.12 H new ATOM 0 HG1 THR A 654 20.497 -13.100 -3.142 1.00 3.41 H new ATOM 0 HG21 THR A 654 19.376 -11.178 -2.663 1.00 2.75 H new ATOM 0 HG22 THR A 654 18.018 -10.711 -3.715 1.00 2.75 H new ATOM 0 HG23 THR A 654 17.856 -12.103 -2.618 1.00 2.75 H new ATOM 1948 N VAL A 655 15.845 -13.196 -4.028 1.00 3.18 N ATOM 1949 CA VAL A 655 14.794 -13.698 -3.130 1.00 3.31 C ATOM 1950 C VAL A 655 13.659 -14.378 -3.892 1.00 3.40 C ATOM 1951 O VAL A 655 13.034 -15.307 -3.387 1.00 3.57 O ATOM 1952 CB VAL A 655 14.306 -12.539 -2.245 1.00 3.15 C ATOM 1953 CG1 VAL A 655 13.769 -11.361 -3.050 1.00 2.84 C ATOM 1954 CG2 VAL A 655 13.294 -12.966 -1.176 1.00 3.35 C ATOM 0 H VAL A 655 15.647 -12.252 -4.359 1.00 3.18 H new ATOM 0 HA VAL A 655 15.209 -14.477 -2.490 1.00 3.31 H new ATOM 0 HB VAL A 655 15.202 -12.205 -1.722 1.00 3.15 H new ATOM 0 HG11 VAL A 655 13.440 -10.575 -2.370 1.00 2.84 H new ATOM 0 HG12 VAL A 655 14.556 -10.974 -3.698 1.00 2.84 H new ATOM 0 HG13 VAL A 655 12.927 -11.690 -3.659 1.00 2.84 H new ATOM 0 HG21 VAL A 655 12.995 -12.097 -0.590 1.00 3.35 H new ATOM 0 HG22 VAL A 655 12.417 -13.399 -1.657 1.00 3.35 H new ATOM 0 HG23 VAL A 655 13.750 -13.707 -0.519 1.00 3.35 H new