USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=34 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+ -122:sc= 1.52 (180deg=-0.518) USER MOD Set 1.2: A 634 SER OG : rot 160:sc= 0.0311 USER MOD Set 1.3: A 637 ASN : amide:sc= 0.238 K(o=1.8,f=-5.7!) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= -0.342 USER MOD Set 2.2: A 599 MET CE :methyl 158:sc=-9.26e-05 (180deg=-0.577) USER MOD Set 3.1: A 580 LYS NZ :NH3+ -174:sc= 1.06 (180deg=1.03) USER MOD Set 3.2: A 632 SER OG : rot 31:sc= 0.242 USER MOD Single : A 535 CYS SG : 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 180:sc= 0 USER MOD Single : A 542 MET CE :methyl -151:sc= 0 (180deg=-1.72!) USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 0.587 K(o=0.59,f=0) USER MOD Single : A 554 THR OG1 : rot 109:sc= 1.23 USER MOD Single : A 556 MET CE :methyl -168:sc= -0.361 (180deg=-0.798) USER MOD Single : A 558 THR OG1 : rot -87:sc= 0.061 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.69) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 579 LYS NZ :NH3+ 153:sc= 0.874 (180deg=0.475) USER MOD Single : A 581 MET CE :methyl 180:sc= -0.312 (180deg=-0.312) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 585 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.23) 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+ -159:sc= 0 (180deg=-0.000523) USER MOD Single : A 596 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.73) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 176:sc= 0.0745 (180deg=0.0723) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 170:sc= 0 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 180:sc= -0.153 USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 THR OG1 : rot -83:sc= 1.18 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 627 TYR OH : rot 180:sc= 0.147 USER MOD Single : A 628 CYS SG : rot 180:sc= -0.519 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 639 ASN : amide:sc= 0.155 X(o=0.16,f=-0.19) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl -176:sc= -0.271 (180deg=-0.301) USER MOD Single : A 648 MET CE :methyl -176:sc= -0.548 (180deg=-0.599) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 6.288 12.681 2.188 1.00 2.68 N ATOM 16 CA CYS A 535 6.116 11.742 3.308 1.00 2.07 C ATOM 17 C CYS A 535 7.148 10.589 3.408 1.00 1.69 C ATOM 18 O CYS A 535 6.808 9.467 3.806 1.00 1.62 O ATOM 19 CB CYS A 535 4.658 11.255 3.299 1.00 2.57 C ATOM 20 SG CYS A 535 4.353 10.209 1.842 1.00 3.30 S ATOM 0 HA CYS A 535 6.332 12.292 4.224 1.00 2.07 H new ATOM 0 HB2 CYS A 535 4.449 10.693 4.209 1.00 2.57 H new ATOM 0 HB3 CYS A 535 3.982 12.110 3.290 1.00 2.57 H new ATOM 0 HG CYS A 535 3.118 9.804 1.850 1.00 3.30 H new ATOM 26 N ARG A 536 8.420 10.838 3.062 1.00 1.68 N ATOM 27 CA ARG A 536 9.518 9.849 3.118 1.00 1.52 C ATOM 28 C ARG A 536 9.671 9.215 4.502 1.00 1.70 C ATOM 29 O ARG A 536 9.840 8.003 4.597 1.00 1.62 O ATOM 30 CB ARG A 536 10.846 10.458 2.614 1.00 1.81 C ATOM 31 CG ARG A 536 11.303 11.733 3.351 1.00 2.32 C ATOM 32 CD ARG A 536 12.641 12.255 2.818 1.00 2.66 C ATOM 33 NE ARG A 536 13.759 11.413 3.266 1.00 2.77 N ATOM 34 CZ ARG A 536 15.039 11.614 3.036 1.00 3.70 C ATOM 35 NH1 ARG A 536 15.493 12.638 2.370 1.00 4.46 N ATOM 36 NH2 ARG A 536 15.882 10.751 3.518 1.00 4.67 N ATOM 0 H ARG A 536 8.725 11.752 2.727 1.00 1.68 H new ATOM 0 HA ARG A 536 9.247 9.038 2.442 1.00 1.52 H new ATOM 0 HB2 ARG A 536 11.629 9.705 2.703 1.00 1.81 H new ATOM 0 HB3 ARG A 536 10.743 10.687 1.553 1.00 1.81 H new ATOM 0 HG2 ARG A 536 10.543 12.507 3.243 1.00 2.32 H new ATOM 0 HG3 ARG A 536 11.394 11.523 4.417 1.00 2.32 H new ATOM 0 HD2 ARG A 536 12.616 12.281 1.729 1.00 2.66 H new ATOM 0 HD3 ARG A 536 12.795 13.279 3.157 1.00 2.66 H new ATOM 0 HE ARG A 536 13.518 10.586 3.812 1.00 2.77 H new ATOM 0 HH11 ARG A 536 14.845 13.332 1.998 1.00 4.46 H new ATOM 0 HH12 ARG A 536 16.496 12.745 2.221 1.00 4.46 H new ATOM 0 HH21 ARG A 536 15.543 9.952 4.054 1.00 4.67 H new ATOM 0 HH22 ARG A 536 16.882 10.873 3.361 1.00 4.67 H new ATOM 50 N LYS A 537 9.509 10.007 5.567 1.00 2.08 N ATOM 51 CA LYS A 537 9.593 9.560 6.966 1.00 2.42 C ATOM 52 C LYS A 537 8.492 8.559 7.334 1.00 2.41 C ATOM 53 O LYS A 537 8.762 7.628 8.090 1.00 2.60 O ATOM 54 CB LYS A 537 9.639 10.811 7.863 1.00 2.87 C ATOM 55 CG LYS A 537 9.609 10.545 9.379 1.00 3.09 C ATOM 56 CD LYS A 537 8.235 10.870 9.984 1.00 3.14 C ATOM 57 CE LYS A 537 8.249 10.744 11.513 1.00 3.60 C ATOM 58 NZ LYS A 537 7.108 11.473 12.117 1.00 4.57 N ATOM 0 H LYS A 537 9.310 11.004 5.480 1.00 2.08 H new ATOM 0 HA LYS A 537 10.509 8.991 7.124 1.00 2.42 H new ATOM 0 HB2 LYS A 537 10.544 11.371 7.629 1.00 2.87 H new ATOM 0 HB3 LYS A 537 8.794 11.450 7.608 1.00 2.87 H new ATOM 0 HG2 LYS A 537 9.853 9.500 9.570 1.00 3.09 H new ATOM 0 HG3 LYS A 537 10.374 11.146 9.870 1.00 3.09 H new ATOM 0 HD2 LYS A 537 7.943 11.882 9.704 1.00 3.14 H new ATOM 0 HD3 LYS A 537 7.485 10.196 9.569 1.00 3.14 H new ATOM 0 HE2 LYS A 537 8.203 9.692 11.795 1.00 3.60 H new ATOM 0 HE3 LYS A 537 9.186 11.139 11.905 1.00 3.60 H new ATOM 0 HZ1 LYS A 537 7.140 11.372 13.152 1.00 4.57 H new ATOM 0 HZ2 LYS A 537 7.167 12.480 11.865 1.00 4.57 H new ATOM 0 HZ3 LYS A 537 6.215 11.078 11.758 1.00 4.57 H new ATOM 72 N LEU A 538 7.297 8.690 6.754 1.00 2.25 N ATOM 73 CA LEU A 538 6.154 7.807 7.010 1.00 2.33 C ATOM 74 C LEU A 538 6.294 6.474 6.254 1.00 2.22 C ATOM 75 O LEU A 538 6.164 5.411 6.865 1.00 2.48 O ATOM 76 CB LEU A 538 4.865 8.593 6.680 1.00 2.34 C ATOM 77 CG LEU A 538 3.503 7.989 7.088 1.00 1.57 C ATOM 78 CD1 LEU A 538 3.052 6.839 6.187 1.00 2.05 C ATOM 79 CD2 LEU A 538 3.464 7.523 8.544 1.00 2.42 C ATOM 0 H LEU A 538 7.091 9.427 6.080 1.00 2.25 H new ATOM 0 HA LEU A 538 6.111 7.515 8.059 1.00 2.33 H new ATOM 0 HB2 LEU A 538 4.946 9.573 7.150 1.00 2.34 H new ATOM 0 HB3 LEU A 538 4.844 8.757 5.603 1.00 2.34 H new ATOM 0 HG LEU A 538 2.805 8.817 6.965 1.00 1.57 H new ATOM 0 HD11 LEU A 538 2.089 6.463 6.532 1.00 2.05 H new ATOM 0 HD12 LEU A 538 2.956 7.196 5.162 1.00 2.05 H new ATOM 0 HD13 LEU A 538 3.789 6.037 6.225 1.00 2.05 H new ATOM 0 HD21 LEU A 538 2.481 7.109 8.767 1.00 2.42 H new ATOM 0 HD22 LEU A 538 4.224 6.758 8.702 1.00 2.42 H new ATOM 0 HD23 LEU A 538 3.659 8.370 9.202 1.00 2.42 H new ATOM 91 N VAL A 539 6.636 6.516 4.957 1.00 1.88 N ATOM 92 CA VAL A 539 6.834 5.302 4.131 1.00 1.74 C ATOM 93 C VAL A 539 8.075 4.502 4.564 1.00 1.76 C ATOM 94 O VAL A 539 8.016 3.279 4.637 1.00 1.85 O ATOM 95 CB VAL A 539 6.781 5.634 2.622 1.00 1.41 C ATOM 96 CG1 VAL A 539 8.144 5.926 2.004 1.00 1.24 C ATOM 97 CG2 VAL A 539 6.160 4.463 1.866 1.00 1.51 C ATOM 0 H VAL A 539 6.784 7.387 4.447 1.00 1.88 H new ATOM 0 HA VAL A 539 5.997 4.628 4.311 1.00 1.74 H new ATOM 0 HB VAL A 539 6.183 6.541 2.536 1.00 1.41 H new ATOM 0 HG11 VAL A 539 8.023 6.150 0.944 1.00 1.24 H new ATOM 0 HG12 VAL A 539 8.595 6.782 2.506 1.00 1.24 H new ATOM 0 HG13 VAL A 539 8.790 5.056 2.119 1.00 1.24 H new ATOM 0 HG21 VAL A 539 6.122 4.696 0.802 1.00 1.51 H new ATOM 0 HG22 VAL A 539 6.764 3.569 2.020 1.00 1.51 H new ATOM 0 HG23 VAL A 539 5.150 4.286 2.235 1.00 1.51 H new ATOM 107 N ALA A 540 9.163 5.164 4.977 1.00 1.76 N ATOM 108 CA ALA A 540 10.346 4.503 5.543 1.00 1.84 C ATOM 109 C ALA A 540 10.090 3.839 6.912 1.00 2.13 C ATOM 110 O ALA A 540 10.858 2.977 7.339 1.00 2.02 O ATOM 111 CB ALA A 540 11.464 5.544 5.646 1.00 1.88 C ATOM 0 H ALA A 540 9.248 6.179 4.928 1.00 1.76 H new ATOM 0 HA ALA A 540 10.628 3.686 4.879 1.00 1.84 H new ATOM 0 HB1 ALA A 540 12.357 5.079 6.064 1.00 1.88 H new ATOM 0 HB2 ALA A 540 11.690 5.935 4.654 1.00 1.88 H new ATOM 0 HB3 ALA A 540 11.143 6.360 6.293 1.00 1.88 H new ATOM 117 N SER A 541 8.995 4.195 7.597 1.00 2.50 N ATOM 118 CA SER A 541 8.630 3.604 8.892 1.00 2.77 C ATOM 119 C SER A 541 7.940 2.238 8.749 1.00 2.77 C ATOM 120 O SER A 541 7.659 1.573 9.745 1.00 2.95 O ATOM 121 CB SER A 541 7.777 4.579 9.704 1.00 3.18 C ATOM 122 OG SER A 541 7.990 4.414 11.096 1.00 3.60 O ATOM 0 H SER A 541 8.337 4.901 7.269 1.00 2.50 H new ATOM 0 HA SER A 541 9.557 3.419 9.434 1.00 2.77 H new ATOM 0 HB2 SER A 541 8.017 5.602 9.416 1.00 3.18 H new ATOM 0 HB3 SER A 541 6.723 4.422 9.474 1.00 3.18 H new ATOM 0 HG SER A 541 7.433 5.051 11.590 1.00 3.60 H new ATOM 128 N MET A 542 7.656 1.824 7.512 1.00 2.62 N ATOM 129 CA MET A 542 6.986 0.598 7.125 1.00 2.65 C ATOM 130 C MET A 542 7.981 -0.586 7.065 1.00 2.35 C ATOM 131 O MET A 542 9.108 -0.411 6.582 1.00 2.07 O ATOM 132 CB MET A 542 6.330 0.915 5.773 1.00 2.75 C ATOM 133 CG MET A 542 5.161 0.034 5.366 1.00 2.30 C ATOM 134 SD MET A 542 5.595 -1.645 4.848 1.00 2.98 S ATOM 135 CE MET A 542 4.261 -1.994 3.680 1.00 2.33 C ATOM 0 H MET A 542 7.911 2.386 6.700 1.00 2.62 H new ATOM 0 HA MET A 542 6.235 0.280 7.848 1.00 2.65 H new ATOM 0 HB2 MET A 542 5.987 1.949 5.794 1.00 2.75 H new ATOM 0 HB3 MET A 542 7.094 0.848 4.999 1.00 2.75 H new ATOM 0 HG2 MET A 542 4.468 -0.031 6.205 1.00 2.30 H new ATOM 0 HG3 MET A 542 4.628 0.521 4.549 1.00 2.30 H new ATOM 0 HE1 MET A 542 4.062 -3.066 3.664 1.00 2.33 H new ATOM 0 HE2 MET A 542 3.360 -1.462 3.987 1.00 2.33 H new ATOM 0 HE3 MET A 542 4.555 -1.665 2.683 1.00 2.33 H new ATOM 145 N PRO A 543 7.612 -1.800 7.518 1.00 2.48 N ATOM 146 CA PRO A 543 8.536 -2.939 7.659 1.00 2.39 C ATOM 147 C PRO A 543 9.162 -3.441 6.343 1.00 2.18 C ATOM 148 O PRO A 543 10.252 -4.018 6.360 1.00 2.08 O ATOM 149 CB PRO A 543 7.715 -4.034 8.358 1.00 2.67 C ATOM 150 CG PRO A 543 6.260 -3.655 8.105 1.00 2.87 C ATOM 151 CD PRO A 543 6.317 -2.134 8.088 1.00 2.88 C ATOM 0 HA PRO A 543 9.411 -2.632 8.232 1.00 2.39 H new ATOM 0 HB2 PRO A 543 7.943 -5.019 7.951 1.00 2.67 H new ATOM 0 HB3 PRO A 543 7.934 -4.071 9.425 1.00 2.67 H new ATOM 0 HG2 PRO A 543 5.893 -4.058 7.161 1.00 2.87 H new ATOM 0 HG3 PRO A 543 5.601 -4.028 8.889 1.00 2.87 H new ATOM 0 HD2 PRO A 543 5.506 -1.718 7.490 1.00 2.88 H new ATOM 0 HD3 PRO A 543 6.214 -1.726 9.094 1.00 2.88 H new ATOM 159 N LEU A 544 8.515 -3.190 5.199 1.00 2.14 N ATOM 160 CA LEU A 544 8.988 -3.531 3.847 1.00 1.95 C ATOM 161 C LEU A 544 10.131 -2.624 3.350 1.00 1.64 C ATOM 162 O LEU A 544 10.869 -2.998 2.438 1.00 1.55 O ATOM 163 CB LEU A 544 7.746 -3.484 2.939 1.00 2.10 C ATOM 164 CG LEU A 544 7.932 -3.899 1.470 1.00 1.66 C ATOM 165 CD1 LEU A 544 6.622 -4.516 0.995 1.00 1.79 C ATOM 166 CD2 LEU A 544 8.178 -2.692 0.557 1.00 2.74 C ATOM 0 H LEU A 544 7.608 -2.724 5.187 1.00 2.14 H new ATOM 0 HA LEU A 544 9.439 -4.523 3.840 1.00 1.95 H new ATOM 0 HB2 LEU A 544 6.983 -4.127 3.377 1.00 2.10 H new ATOM 0 HB3 LEU A 544 7.354 -2.467 2.955 1.00 2.10 H new ATOM 0 HG LEU A 544 8.784 -4.577 1.420 1.00 1.66 H new ATOM 0 HD11 LEU A 544 6.720 -4.822 -0.047 1.00 1.79 H new ATOM 0 HD12 LEU A 544 6.386 -5.386 1.608 1.00 1.79 H new ATOM 0 HD13 LEU A 544 5.821 -3.782 1.083 1.00 1.79 H new ATOM 0 HD21 LEU A 544 8.304 -3.033 -0.471 1.00 2.74 H new ATOM 0 HD22 LEU A 544 7.326 -2.014 0.613 1.00 2.74 H new ATOM 0 HD23 LEU A 544 9.079 -2.170 0.879 1.00 2.74 H new ATOM 178 N PHE A 545 10.294 -1.450 3.967 1.00 1.57 N ATOM 179 CA PHE A 545 11.255 -0.396 3.629 1.00 1.36 C ATOM 180 C PHE A 545 12.346 -0.211 4.708 1.00 1.46 C ATOM 181 O PHE A 545 13.125 0.738 4.639 1.00 1.40 O ATOM 182 CB PHE A 545 10.510 0.929 3.403 1.00 1.36 C ATOM 183 CG PHE A 545 9.425 0.970 2.338 1.00 1.26 C ATOM 184 CD1 PHE A 545 8.168 0.392 2.590 1.00 2.20 C ATOM 185 CD2 PHE A 545 9.611 1.731 1.167 1.00 2.11 C ATOM 186 CE1 PHE A 545 7.075 0.668 1.753 1.00 2.45 C ATOM 187 CE2 PHE A 545 8.521 2.005 0.322 1.00 2.06 C ATOM 188 CZ PHE A 545 7.244 1.510 0.644 1.00 1.58 C ATOM 0 H PHE A 545 9.719 -1.194 4.770 1.00 1.57 H new ATOM 0 HA PHE A 545 11.763 -0.703 2.715 1.00 1.36 H new ATOM 0 HB2 PHE A 545 10.058 1.223 4.350 1.00 1.36 H new ATOM 0 HB3 PHE A 545 11.250 1.689 3.154 1.00 1.36 H new ATOM 0 HD1 PHE A 545 8.042 -0.270 3.434 1.00 2.20 H new ATOM 0 HD2 PHE A 545 10.593 2.105 0.918 1.00 2.11 H new ATOM 0 HE1 PHE A 545 6.108 0.234 1.962 1.00 2.45 H new ATOM 0 HE2 PHE A 545 8.664 2.594 -0.572 1.00 2.06 H new ATOM 0 HZ PHE A 545 6.393 1.779 0.036 1.00 1.58 H new ATOM 198 N ALA A 546 12.433 -1.103 5.700 1.00 1.70 N ATOM 199 CA ALA A 546 13.373 -1.039 6.834 1.00 1.90 C ATOM 200 C ALA A 546 14.846 -0.927 6.420 1.00 1.72 C ATOM 201 O ALA A 546 15.702 -0.414 7.143 1.00 1.83 O ATOM 202 CB ALA A 546 13.240 -2.372 7.563 1.00 2.14 C ATOM 0 H ALA A 546 11.828 -1.924 5.741 1.00 1.70 H new ATOM 0 HA ALA A 546 13.127 -0.155 7.422 1.00 1.90 H new ATOM 0 HB1 ALA A 546 13.915 -2.388 8.419 1.00 2.14 H new ATOM 0 HB2 ALA A 546 12.214 -2.497 7.908 1.00 2.14 H new ATOM 0 HB3 ALA A 546 13.496 -3.185 6.884 1.00 2.14 H new ATOM 208 N ASN A 547 15.119 -1.498 5.257 1.00 1.50 N ATOM 209 CA ASN A 547 16.403 -1.745 4.639 1.00 1.38 C ATOM 210 C ASN A 547 16.499 -0.996 3.291 1.00 1.19 C ATOM 211 O ASN A 547 17.393 -1.251 2.487 1.00 1.27 O ATOM 212 CB ASN A 547 16.513 -3.279 4.562 1.00 1.56 C ATOM 213 CG ASN A 547 17.358 -3.866 5.658 1.00 2.15 C ATOM 214 OD1 ASN A 547 18.431 -4.408 5.432 1.00 2.61 O ATOM 215 ND2 ASN A 547 16.909 -3.797 6.880 1.00 2.84 N ATOM 0 H ASN A 547 14.361 -1.834 4.663 1.00 1.50 H new ATOM 0 HA ASN A 547 17.255 -1.360 5.199 1.00 1.38 H new ATOM 0 HB2 ASN A 547 15.514 -3.712 4.611 1.00 1.56 H new ATOM 0 HB3 ASN A 547 16.935 -3.559 3.597 1.00 1.56 H new ATOM 0 HD21 ASN A 547 17.452 -4.195 7.646 1.00 2.84 H new ATOM 0 HD22 ASN A 547 16.014 -3.345 7.070 1.00 2.84 H new ATOM 222 N ALA A 548 15.577 -0.056 3.050 1.00 1.14 N ATOM 223 CA ALA A 548 15.561 0.794 1.862 1.00 1.06 C ATOM 224 C ALA A 548 16.663 1.873 1.880 1.00 1.02 C ATOM 225 O ALA A 548 16.984 2.446 2.927 1.00 1.09 O ATOM 226 CB ALA A 548 14.169 1.419 1.697 1.00 1.08 C ATOM 0 H ALA A 548 14.807 0.136 3.691 1.00 1.14 H new ATOM 0 HA ALA A 548 15.779 0.163 1.000 1.00 1.06 H new ATOM 0 HB1 ALA A 548 14.158 2.053 0.811 1.00 1.08 H new ATOM 0 HB2 ALA A 548 13.426 0.629 1.588 1.00 1.08 H new ATOM 0 HB3 ALA A 548 13.933 2.019 2.576 1.00 1.08 H new ATOM 232 N ASP A 549 17.206 2.208 0.707 1.00 0.96 N ATOM 233 CA ASP A 549 18.059 3.391 0.522 1.00 0.96 C ATOM 234 C ASP A 549 17.231 4.697 0.651 1.00 0.94 C ATOM 235 O ASP A 549 16.132 4.783 0.085 1.00 0.86 O ATOM 236 CB ASP A 549 18.805 3.276 -0.817 1.00 0.96 C ATOM 237 CG ASP A 549 19.574 4.546 -1.184 1.00 1.19 C ATOM 238 OD1 ASP A 549 18.932 5.526 -1.617 1.00 2.38 O ATOM 239 OD2 ASP A 549 20.808 4.587 -0.989 1.00 1.78 O ATOM 0 H ASP A 549 17.068 1.666 -0.146 1.00 0.96 H new ATOM 0 HA ASP A 549 18.809 3.436 1.312 1.00 0.96 H new ATOM 0 HB2 ASP A 549 19.500 2.438 -0.768 1.00 0.96 H new ATOM 0 HB3 ASP A 549 18.089 3.050 -1.607 1.00 0.96 H new ATOM 244 N PRO A 550 17.730 5.724 1.373 1.00 1.06 N ATOM 245 CA PRO A 550 16.973 6.943 1.678 1.00 1.12 C ATOM 246 C PRO A 550 16.732 7.863 0.464 1.00 1.11 C ATOM 247 O PRO A 550 15.831 8.703 0.498 1.00 1.16 O ATOM 248 CB PRO A 550 17.788 7.654 2.763 1.00 1.21 C ATOM 249 CG PRO A 550 19.221 7.214 2.478 1.00 1.19 C ATOM 250 CD PRO A 550 19.029 5.767 2.037 1.00 1.14 C ATOM 0 HA PRO A 550 15.965 6.683 2.002 1.00 1.12 H new ATOM 0 HB2 PRO A 550 17.681 8.737 2.701 1.00 1.21 H new ATOM 0 HB3 PRO A 550 17.469 7.359 3.763 1.00 1.21 H new ATOM 0 HG2 PRO A 550 19.686 7.819 1.700 1.00 1.19 H new ATOM 0 HG3 PRO A 550 19.854 7.290 3.362 1.00 1.19 H new ATOM 0 HD2 PRO A 550 19.825 5.455 1.360 1.00 1.14 H new ATOM 0 HD3 PRO A 550 19.054 5.091 2.892 1.00 1.14 H new ATOM 258 N ASN A 551 17.489 7.703 -0.625 1.00 1.09 N ATOM 259 CA ASN A 551 17.283 8.417 -1.884 1.00 1.06 C ATOM 260 C ASN A 551 16.258 7.670 -2.758 1.00 0.95 C ATOM 261 O ASN A 551 15.386 8.301 -3.354 1.00 0.95 O ATOM 262 CB ASN A 551 18.624 8.603 -2.626 1.00 1.10 C ATOM 263 CG ASN A 551 19.818 8.914 -1.736 1.00 1.22 C ATOM 264 OD1 ASN A 551 20.140 10.064 -1.447 1.00 1.67 O ATOM 265 ND2 ASN A 551 20.500 7.888 -1.287 1.00 1.94 N ATOM 0 H ASN A 551 18.279 7.059 -0.654 1.00 1.09 H new ATOM 0 HA ASN A 551 16.883 9.408 -1.667 1.00 1.06 H new ATOM 0 HB2 ASN A 551 18.838 7.695 -3.190 1.00 1.10 H new ATOM 0 HB3 ASN A 551 18.511 9.409 -3.351 1.00 1.10 H new ATOM 0 HD21 ASN A 551 21.312 8.038 -0.688 1.00 1.94 H new ATOM 0 HD22 ASN A 551 20.219 6.940 -1.537 1.00 1.94 H new ATOM 272 N PHE A 552 16.308 6.331 -2.776 1.00 0.90 N ATOM 273 CA PHE A 552 15.368 5.452 -3.486 1.00 0.86 C ATOM 274 C PHE A 552 13.932 5.626 -2.976 1.00 0.83 C ATOM 275 O PHE A 552 13.020 5.915 -3.752 1.00 0.88 O ATOM 276 CB PHE A 552 15.837 3.995 -3.311 1.00 0.87 C ATOM 277 CG PHE A 552 14.764 2.937 -3.497 1.00 0.86 C ATOM 278 CD1 PHE A 552 14.201 2.702 -4.764 1.00 2.09 C ATOM 279 CD2 PHE A 552 14.281 2.230 -2.378 1.00 1.92 C ATOM 280 CE1 PHE A 552 13.148 1.781 -4.905 1.00 2.08 C ATOM 281 CE2 PHE A 552 13.236 1.302 -2.520 1.00 2.01 C ATOM 282 CZ PHE A 552 12.665 1.084 -3.786 1.00 1.02 C ATOM 0 H PHE A 552 17.031 5.811 -2.278 1.00 0.90 H new ATOM 0 HA PHE A 552 15.359 5.718 -4.543 1.00 0.86 H new ATOM 0 HB2 PHE A 552 16.640 3.802 -4.022 1.00 0.87 H new ATOM 0 HB3 PHE A 552 16.262 3.886 -2.313 1.00 0.87 H new ATOM 0 HD1 PHE A 552 14.577 3.229 -5.628 1.00 2.09 H new ATOM 0 HD2 PHE A 552 14.717 2.403 -1.405 1.00 1.92 H new ATOM 0 HE1 PHE A 552 12.709 1.609 -5.877 1.00 2.08 H new ATOM 0 HE2 PHE A 552 12.873 0.758 -1.660 1.00 2.01 H new ATOM 0 HZ PHE A 552 11.854 0.380 -3.898 1.00 1.02 H new ATOM 292 N VAL A 553 13.744 5.522 -1.657 1.00 0.79 N ATOM 293 CA VAL A 553 12.434 5.669 -0.996 1.00 0.83 C ATOM 294 C VAL A 553 11.807 7.049 -1.241 1.00 0.85 C ATOM 295 O VAL A 553 10.589 7.191 -1.317 1.00 0.89 O ATOM 296 CB VAL A 553 12.608 5.367 0.505 1.00 0.95 C ATOM 297 CG1 VAL A 553 13.381 6.441 1.270 1.00 2.83 C ATOM 298 CG2 VAL A 553 11.278 5.175 1.216 1.00 1.68 C ATOM 0 H VAL A 553 14.505 5.331 -1.005 1.00 0.79 H new ATOM 0 HA VAL A 553 11.733 4.956 -1.429 1.00 0.83 H new ATOM 0 HB VAL A 553 13.185 4.442 0.512 1.00 0.95 H new ATOM 0 HG11 VAL A 553 13.461 6.155 2.319 1.00 2.83 H new ATOM 0 HG12 VAL A 553 14.380 6.543 0.845 1.00 2.83 H new ATOM 0 HG13 VAL A 553 12.855 7.393 1.193 1.00 2.83 H new ATOM 0 HG21 VAL A 553 11.456 4.965 2.271 1.00 1.68 H new ATOM 0 HG22 VAL A 553 10.681 6.082 1.123 1.00 1.68 H new ATOM 0 HG23 VAL A 553 10.742 4.340 0.765 1.00 1.68 H new ATOM 308 N THR A 554 12.658 8.055 -1.427 1.00 0.86 N ATOM 309 CA THR A 554 12.299 9.450 -1.698 1.00 0.90 C ATOM 310 C THR A 554 11.971 9.701 -3.168 1.00 0.85 C ATOM 311 O THR A 554 11.056 10.476 -3.463 1.00 0.94 O ATOM 312 CB THR A 554 13.434 10.370 -1.229 1.00 0.97 C ATOM 313 OG1 THR A 554 13.591 10.239 0.165 1.00 1.03 O ATOM 314 CG2 THR A 554 13.116 11.827 -1.529 1.00 1.06 C ATOM 0 H THR A 554 13.668 7.915 -1.392 1.00 0.86 H new ATOM 0 HA THR A 554 11.389 9.672 -1.140 1.00 0.90 H new ATOM 0 HB THR A 554 14.343 10.082 -1.757 1.00 0.97 H new ATOM 0 HG1 THR A 554 14.425 9.761 0.357 1.00 1.03 H new ATOM 0 HG21 THR A 554 13.937 12.457 -1.186 1.00 1.06 H new ATOM 0 HG22 THR A 554 12.983 11.957 -2.603 1.00 1.06 H new ATOM 0 HG23 THR A 554 12.199 12.113 -1.013 1.00 1.06 H new ATOM 322 N ALA A 555 12.663 9.030 -4.097 1.00 0.74 N ATOM 323 CA ALA A 555 12.458 9.214 -5.533 1.00 0.74 C ATOM 324 C ALA A 555 11.097 8.660 -5.989 1.00 0.72 C ATOM 325 O ALA A 555 10.588 9.017 -7.050 1.00 0.77 O ATOM 326 CB ALA A 555 13.606 8.532 -6.287 1.00 0.74 C ATOM 0 H ALA A 555 13.382 8.343 -3.870 1.00 0.74 H new ATOM 0 HA ALA A 555 12.453 10.281 -5.755 1.00 0.74 H new ATOM 0 HB1 ALA A 555 13.465 8.662 -7.360 1.00 0.74 H new ATOM 0 HB2 ALA A 555 14.554 8.980 -5.989 1.00 0.74 H new ATOM 0 HB3 ALA A 555 13.617 7.468 -6.049 1.00 0.74 H new ATOM 332 N MET A 556 10.497 7.784 -5.178 1.00 0.70 N ATOM 333 CA MET A 556 9.193 7.172 -5.437 1.00 0.71 C ATOM 334 C MET A 556 8.013 8.137 -5.254 1.00 0.71 C ATOM 335 O MET A 556 6.951 7.927 -5.835 1.00 0.75 O ATOM 336 CB MET A 556 9.070 5.978 -4.487 1.00 0.83 C ATOM 337 CG MET A 556 7.923 5.030 -4.855 1.00 0.83 C ATOM 338 SD MET A 556 7.771 3.555 -3.810 1.00 0.95 S ATOM 339 CE MET A 556 9.512 3.115 -3.540 1.00 0.89 C ATOM 0 H MET A 556 10.916 7.474 -4.301 1.00 0.70 H new ATOM 0 HA MET A 556 9.145 6.868 -6.483 1.00 0.71 H new ATOM 0 HB2 MET A 556 10.007 5.422 -4.489 1.00 0.83 H new ATOM 0 HB3 MET A 556 8.919 6.344 -3.471 1.00 0.83 H new ATOM 0 HG2 MET A 556 6.986 5.585 -4.810 1.00 0.83 H new ATOM 0 HG3 MET A 556 8.055 4.711 -5.889 1.00 0.83 H new ATOM 0 HE1 MET A 556 9.572 2.119 -3.100 1.00 0.89 H new ATOM 0 HE2 MET A 556 10.041 3.123 -4.493 1.00 0.89 H new ATOM 0 HE3 MET A 556 9.969 3.838 -2.865 1.00 0.89 H new ATOM 349 N LEU A 557 8.179 9.190 -4.448 1.00 0.73 N ATOM 350 CA LEU A 557 7.077 10.043 -3.978 1.00 0.76 C ATOM 351 C LEU A 557 6.618 11.073 -5.030 1.00 0.75 C ATOM 352 O LEU A 557 5.477 11.537 -5.003 1.00 0.80 O ATOM 353 CB LEU A 557 7.504 10.721 -2.662 1.00 0.87 C ATOM 354 CG LEU A 557 8.159 9.808 -1.607 1.00 0.95 C ATOM 355 CD1 LEU A 557 8.442 10.602 -0.339 1.00 1.09 C ATOM 356 CD2 LEU A 557 7.292 8.611 -1.219 1.00 0.95 C ATOM 0 H LEU A 557 9.092 9.480 -4.098 1.00 0.73 H new ATOM 0 HA LEU A 557 6.206 9.412 -3.802 1.00 0.76 H new ATOM 0 HB2 LEU A 557 8.202 11.524 -2.901 1.00 0.87 H new ATOM 0 HB3 LEU A 557 6.625 11.185 -2.215 1.00 0.87 H new ATOM 0 HG LEU A 557 9.075 9.433 -2.064 1.00 0.95 H new ATOM 0 HD11 LEU A 557 8.905 9.951 0.402 1.00 1.09 H new ATOM 0 HD12 LEU A 557 9.116 11.427 -0.569 1.00 1.09 H new ATOM 0 HD13 LEU A 557 7.507 10.998 0.059 1.00 1.09 H new ATOM 0 HD21 LEU A 557 7.813 8.011 -0.473 1.00 0.95 H new ATOM 0 HD22 LEU A 557 6.348 8.965 -0.805 1.00 0.95 H new ATOM 0 HD23 LEU A 557 7.096 8.003 -2.102 1.00 0.95 H new ATOM 368 N THR A 558 7.487 11.392 -5.988 1.00 0.79 N ATOM 369 CA THR A 558 7.278 12.413 -7.034 1.00 0.90 C ATOM 370 C THR A 558 6.197 12.062 -8.067 1.00 0.91 C ATOM 371 O THR A 558 5.583 12.960 -8.644 1.00 1.29 O ATOM 372 CB THR A 558 8.600 12.651 -7.777 1.00 1.00 C ATOM 373 OG1 THR A 558 9.025 11.432 -8.340 1.00 1.39 O ATOM 374 CG2 THR A 558 9.711 13.152 -6.850 1.00 1.92 C ATOM 0 H THR A 558 8.394 10.933 -6.067 1.00 0.79 H new ATOM 0 HA THR A 558 6.930 13.304 -6.512 1.00 0.90 H new ATOM 0 HB THR A 558 8.417 13.413 -8.535 1.00 1.00 H new ATOM 0 HG1 THR A 558 9.558 10.936 -7.683 1.00 1.39 H new ATOM 0 HG21 THR A 558 10.624 13.304 -7.426 1.00 1.92 H new ATOM 0 HG22 THR A 558 9.408 14.095 -6.395 1.00 1.92 H new ATOM 0 HG23 THR A 558 9.893 12.414 -6.069 1.00 1.92 H new ATOM 382 N LYS A 559 5.939 10.768 -8.304 1.00 0.91 N ATOM 383 CA LYS A 559 4.925 10.198 -9.230 1.00 1.42 C ATOM 384 C LYS A 559 3.893 9.289 -8.534 1.00 1.77 C ATOM 385 O LYS A 559 3.327 8.380 -9.145 1.00 2.46 O ATOM 386 CB LYS A 559 5.590 9.570 -10.481 1.00 1.65 C ATOM 387 CG LYS A 559 6.890 8.773 -10.274 1.00 2.04 C ATOM 388 CD LYS A 559 6.910 7.766 -9.109 1.00 2.95 C ATOM 389 CE LYS A 559 6.287 6.418 -9.459 1.00 3.48 C ATOM 390 NZ LYS A 559 7.126 5.707 -10.459 1.00 4.89 N ATOM 0 H LYS A 559 6.463 10.035 -7.826 1.00 0.91 H new ATOM 0 HA LYS A 559 4.324 11.031 -9.594 1.00 1.42 H new ATOM 0 HB2 LYS A 559 4.862 8.909 -10.952 1.00 1.65 H new ATOM 0 HB3 LYS A 559 5.797 10.372 -11.189 1.00 1.65 H new ATOM 0 HG2 LYS A 559 7.106 8.231 -11.195 1.00 2.04 H new ATOM 0 HG3 LYS A 559 7.703 9.483 -10.123 1.00 2.04 H new ATOM 0 HD2 LYS A 559 7.941 7.609 -8.792 1.00 2.95 H new ATOM 0 HD3 LYS A 559 6.377 8.194 -8.260 1.00 2.95 H new ATOM 0 HE2 LYS A 559 6.188 5.811 -8.559 1.00 3.48 H new ATOM 0 HE3 LYS A 559 5.283 6.566 -9.856 1.00 3.48 H new ATOM 0 HZ1 LYS A 559 6.558 5.502 -11.306 1.00 4.89 H new ATOM 0 HZ2 LYS A 559 7.935 6.305 -10.722 1.00 4.89 H new ATOM 0 HZ3 LYS A 559 7.473 4.816 -10.050 1.00 4.89 H new ATOM 404 N LEU A 560 3.718 9.482 -7.229 1.00 1.37 N ATOM 405 CA LEU A 560 2.897 8.670 -6.330 1.00 1.44 C ATOM 406 C LEU A 560 1.429 9.142 -6.383 1.00 1.64 C ATOM 407 O LEU A 560 1.180 10.329 -6.593 1.00 1.80 O ATOM 408 CB LEU A 560 3.569 8.791 -4.941 1.00 1.31 C ATOM 409 CG LEU A 560 3.037 8.009 -3.724 1.00 1.00 C ATOM 410 CD1 LEU A 560 4.022 8.148 -2.565 1.00 2.28 C ATOM 411 CD2 LEU A 560 1.685 8.518 -3.242 1.00 1.66 C ATOM 0 H LEU A 560 4.171 10.254 -6.741 1.00 1.37 H new ATOM 0 HA LEU A 560 2.848 7.617 -6.609 1.00 1.44 H new ATOM 0 HB2 LEU A 560 4.614 8.509 -5.068 1.00 1.31 H new ATOM 0 HB3 LEU A 560 3.554 9.847 -4.672 1.00 1.31 H new ATOM 0 HG LEU A 560 2.923 6.973 -4.042 1.00 1.00 H new ATOM 0 HD11 LEU A 560 3.649 7.596 -1.702 1.00 2.28 H new ATOM 0 HD12 LEU A 560 4.991 7.747 -2.861 1.00 2.28 H new ATOM 0 HD13 LEU A 560 4.130 9.201 -2.303 1.00 2.28 H new ATOM 0 HD21 LEU A 560 1.360 7.930 -2.383 1.00 1.66 H new ATOM 0 HD22 LEU A 560 1.773 9.565 -2.953 1.00 1.66 H new ATOM 0 HD23 LEU A 560 0.953 8.423 -4.044 1.00 1.66 H new ATOM 423 N LYS A 561 0.457 8.242 -6.175 1.00 1.71 N ATOM 424 CA LYS A 561 -0.983 8.554 -6.170 1.00 1.87 C ATOM 425 C LYS A 561 -1.642 8.199 -4.830 1.00 1.89 C ATOM 426 O LYS A 561 -1.341 7.171 -4.224 1.00 1.90 O ATOM 427 CB LYS A 561 -1.648 7.841 -7.360 1.00 2.13 C ATOM 428 CG LYS A 561 -2.987 8.461 -7.792 1.00 2.10 C ATOM 429 CD LYS A 561 -2.858 9.461 -8.955 1.00 2.00 C ATOM 430 CE LYS A 561 -1.875 10.614 -8.704 1.00 1.86 C ATOM 431 NZ LYS A 561 -1.868 11.549 -9.849 1.00 2.12 N ATOM 0 H LYS A 561 0.652 7.256 -6.002 1.00 1.71 H new ATOM 0 HA LYS A 561 -1.120 9.629 -6.284 1.00 1.87 H new ATOM 0 HB2 LYS A 561 -0.963 7.855 -8.208 1.00 2.13 H new ATOM 0 HB3 LYS A 561 -1.811 6.795 -7.099 1.00 2.13 H new ATOM 0 HG2 LYS A 561 -3.669 7.663 -8.084 1.00 2.10 H new ATOM 0 HG3 LYS A 561 -3.436 8.967 -6.937 1.00 2.10 H new ATOM 0 HD2 LYS A 561 -2.543 8.921 -9.848 1.00 2.00 H new ATOM 0 HD3 LYS A 561 -3.842 9.880 -9.167 1.00 2.00 H new ATOM 0 HE2 LYS A 561 -2.154 11.146 -7.795 1.00 1.86 H new ATOM 0 HE3 LYS A 561 -0.872 10.217 -8.546 1.00 1.86 H new ATOM 0 HZ1 LYS A 561 -1.198 12.322 -9.662 1.00 2.12 H new ATOM 0 HZ2 LYS A 561 -1.580 11.042 -10.710 1.00 2.12 H new ATOM 0 HZ3 LYS A 561 -2.822 11.942 -9.982 1.00 2.12 H new ATOM 445 N PHE A 562 -2.530 9.072 -4.364 1.00 1.91 N ATOM 446 CA PHE A 562 -3.219 8.968 -3.075 1.00 1.90 C ATOM 447 C PHE A 562 -4.737 9.118 -3.228 1.00 1.71 C ATOM 448 O PHE A 562 -5.202 9.714 -4.204 1.00 1.74 O ATOM 449 CB PHE A 562 -2.622 9.996 -2.096 1.00 2.04 C ATOM 450 CG PHE A 562 -3.342 11.333 -2.003 1.00 1.97 C ATOM 451 CD1 PHE A 562 -4.418 11.503 -1.108 1.00 2.40 C ATOM 452 CD2 PHE A 562 -2.927 12.417 -2.798 1.00 3.12 C ATOM 453 CE1 PHE A 562 -5.085 12.739 -1.025 1.00 2.36 C ATOM 454 CE2 PHE A 562 -3.590 13.654 -2.706 1.00 3.40 C ATOM 455 CZ PHE A 562 -4.669 13.819 -1.822 1.00 2.35 C ATOM 0 H PHE A 562 -2.802 9.903 -4.890 1.00 1.91 H new ATOM 0 HA PHE A 562 -3.061 7.970 -2.665 1.00 1.90 H new ATOM 0 HB2 PHE A 562 -2.600 9.549 -1.102 1.00 2.04 H new ATOM 0 HB3 PHE A 562 -1.588 10.183 -2.385 1.00 2.04 H new ATOM 0 HD1 PHE A 562 -4.732 10.680 -0.483 1.00 2.40 H new ATOM 0 HD2 PHE A 562 -2.098 12.299 -3.480 1.00 3.12 H new ATOM 0 HE1 PHE A 562 -5.918 12.858 -0.348 1.00 2.36 H new ATOM 0 HE2 PHE A 562 -3.267 14.482 -3.319 1.00 3.40 H new ATOM 0 HZ PHE A 562 -5.176 14.770 -1.755 1.00 2.35 H new ATOM 465 N GLU A 563 -5.516 8.617 -2.266 1.00 1.50 N ATOM 466 CA GLU A 563 -6.988 8.698 -2.299 1.00 1.29 C ATOM 467 C GLU A 563 -7.601 8.811 -0.892 1.00 1.21 C ATOM 468 O GLU A 563 -7.017 8.356 0.088 1.00 1.32 O ATOM 469 CB GLU A 563 -7.533 7.491 -3.099 1.00 1.22 C ATOM 470 CG GLU A 563 -9.035 7.586 -3.413 1.00 1.58 C ATOM 471 CD GLU A 563 -9.525 6.588 -4.481 1.00 2.10 C ATOM 472 OE1 GLU A 563 -8.754 5.749 -5.001 1.00 2.89 O ATOM 473 OE2 GLU A 563 -10.716 6.655 -4.865 1.00 2.79 O ATOM 0 H GLU A 563 -5.149 8.143 -1.441 1.00 1.50 H new ATOM 0 HA GLU A 563 -7.287 9.616 -2.805 1.00 1.29 H new ATOM 0 HB2 GLU A 563 -6.980 7.407 -4.034 1.00 1.22 H new ATOM 0 HB3 GLU A 563 -7.346 6.578 -2.534 1.00 1.22 H new ATOM 0 HG2 GLU A 563 -9.597 7.422 -2.494 1.00 1.58 H new ATOM 0 HG3 GLU A 563 -9.261 8.598 -3.748 1.00 1.58 H new ATOM 480 N VAL A 564 -8.777 9.433 -0.776 1.00 1.07 N ATOM 481 CA VAL A 564 -9.515 9.600 0.490 1.00 1.05 C ATOM 482 C VAL A 564 -10.858 8.884 0.441 1.00 0.96 C ATOM 483 O VAL A 564 -11.525 8.862 -0.595 1.00 0.95 O ATOM 484 CB VAL A 564 -9.751 11.087 0.809 1.00 1.13 C ATOM 485 CG1 VAL A 564 -10.474 11.340 2.129 1.00 1.12 C ATOM 486 CG2 VAL A 564 -8.430 11.858 0.850 1.00 1.24 C ATOM 0 H VAL A 564 -9.258 9.846 -1.575 1.00 1.07 H new ATOM 0 HA VAL A 564 -8.900 9.160 1.275 1.00 1.05 H new ATOM 0 HB VAL A 564 -10.392 11.437 0.000 1.00 1.13 H new ATOM 0 HG11 VAL A 564 -10.599 12.413 2.276 1.00 1.12 H new ATOM 0 HG12 VAL A 564 -11.453 10.860 2.106 1.00 1.12 H new ATOM 0 HG13 VAL A 564 -9.887 10.928 2.950 1.00 1.12 H new ATOM 0 HG21 VAL A 564 -8.627 12.906 1.077 1.00 1.24 H new ATOM 0 HG22 VAL A 564 -7.785 11.435 1.620 1.00 1.24 H new ATOM 0 HG23 VAL A 564 -7.935 11.784 -0.118 1.00 1.24 H new ATOM 496 N PHE A 565 -11.278 8.378 1.596 1.00 0.93 N ATOM 497 CA PHE A 565 -12.621 7.862 1.852 1.00 0.94 C ATOM 498 C PHE A 565 -13.271 8.547 3.069 1.00 0.99 C ATOM 499 O PHE A 565 -12.587 8.897 4.031 1.00 1.02 O ATOM 500 CB PHE A 565 -12.530 6.341 1.989 1.00 0.95 C ATOM 501 CG PHE A 565 -12.098 5.663 0.698 1.00 0.87 C ATOM 502 CD1 PHE A 565 -10.730 5.548 0.365 1.00 2.06 C ATOM 503 CD2 PHE A 565 -13.075 5.162 -0.183 1.00 1.60 C ATOM 504 CE1 PHE A 565 -10.353 4.928 -0.839 1.00 1.95 C ATOM 505 CE2 PHE A 565 -12.692 4.525 -1.374 1.00 1.68 C ATOM 506 CZ PHE A 565 -11.330 4.397 -1.696 1.00 0.81 C ATOM 0 H PHE A 565 -10.670 8.313 2.412 1.00 0.93 H new ATOM 0 HA PHE A 565 -13.281 8.095 1.016 1.00 0.94 H new ATOM 0 HB2 PHE A 565 -11.822 6.093 2.780 1.00 0.95 H new ATOM 0 HB3 PHE A 565 -13.500 5.949 2.294 1.00 0.95 H new ATOM 0 HD1 PHE A 565 -9.976 5.935 1.034 1.00 2.06 H new ATOM 0 HD2 PHE A 565 -14.122 5.268 0.058 1.00 1.60 H new ATOM 0 HE1 PHE A 565 -9.309 4.860 -1.106 1.00 1.95 H new ATOM 0 HE2 PHE A 565 -13.444 4.133 -2.043 1.00 1.68 H new ATOM 0 HZ PHE A 565 -11.035 3.890 -2.603 1.00 0.81 H new ATOM 516 N GLN A 566 -14.592 8.756 3.018 1.00 1.04 N ATOM 517 CA GLN A 566 -15.409 9.367 4.083 1.00 1.13 C ATOM 518 C GLN A 566 -16.058 8.283 4.982 1.00 1.08 C ATOM 519 O GLN A 566 -16.052 7.106 4.607 1.00 1.06 O ATOM 520 CB GLN A 566 -16.469 10.298 3.449 1.00 1.30 C ATOM 521 CG GLN A 566 -15.944 11.606 2.858 1.00 1.70 C ATOM 522 CD GLN A 566 -15.278 11.358 1.533 1.00 1.47 C ATOM 523 OE1 GLN A 566 -15.789 10.642 0.676 1.00 2.65 O ATOM 524 NE2 GLN A 566 -14.089 11.854 1.347 1.00 1.40 N ATOM 0 H GLN A 566 -15.147 8.495 2.203 1.00 1.04 H new ATOM 0 HA GLN A 566 -14.766 9.965 4.729 1.00 1.13 H new ATOM 0 HB2 GLN A 566 -16.983 9.747 2.661 1.00 1.30 H new ATOM 0 HB3 GLN A 566 -17.213 10.538 4.208 1.00 1.30 H new ATOM 0 HG2 GLN A 566 -16.766 12.310 2.732 1.00 1.70 H new ATOM 0 HG3 GLN A 566 -15.235 12.064 3.547 1.00 1.70 H new ATOM 0 HE21 GLN A 566 -13.667 12.448 2.060 1.00 1.40 H new ATOM 0 HE22 GLN A 566 -13.579 11.648 0.488 1.00 1.40 H new ATOM 533 N PRO A 567 -16.638 8.627 6.154 1.00 1.11 N ATOM 534 CA PRO A 567 -17.167 7.633 7.088 1.00 1.08 C ATOM 535 C PRO A 567 -18.223 6.696 6.474 1.00 1.09 C ATOM 536 O PRO A 567 -19.213 7.141 5.879 1.00 1.17 O ATOM 537 CB PRO A 567 -17.735 8.423 8.273 1.00 1.15 C ATOM 538 CG PRO A 567 -17.024 9.773 8.217 1.00 1.24 C ATOM 539 CD PRO A 567 -16.746 9.964 6.730 1.00 1.24 C ATOM 0 HA PRO A 567 -16.367 6.958 7.392 1.00 1.08 H new ATOM 0 HB2 PRO A 567 -18.815 8.541 8.189 1.00 1.15 H new ATOM 0 HB3 PRO A 567 -17.543 7.913 9.217 1.00 1.15 H new ATOM 0 HG2 PRO A 567 -17.648 10.573 8.615 1.00 1.24 H new ATOM 0 HG3 PRO A 567 -16.103 9.767 8.800 1.00 1.24 H new ATOM 0 HD2 PRO A 567 -17.549 10.528 6.254 1.00 1.24 H new ATOM 0 HD3 PRO A 567 -15.826 10.528 6.577 1.00 1.24 H new ATOM 547 N GLY A 568 -18.010 5.387 6.636 1.00 1.06 N ATOM 548 CA GLY A 568 -18.893 4.317 6.181 1.00 1.09 C ATOM 549 C GLY A 568 -18.543 3.810 4.782 1.00 1.13 C ATOM 550 O GLY A 568 -19.075 2.789 4.357 1.00 1.23 O ATOM 0 H GLY A 568 -17.179 5.032 7.109 1.00 1.06 H new ATOM 0 HA2 GLY A 568 -18.842 3.487 6.886 1.00 1.09 H new ATOM 0 HA3 GLY A 568 -19.922 4.676 6.185 1.00 1.09 H new ATOM 554 N ASP A 569 -17.640 4.473 4.057 1.00 1.12 N ATOM 555 CA ASP A 569 -17.438 4.208 2.643 1.00 1.14 C ATOM 556 C ASP A 569 -16.575 2.948 2.423 1.00 0.91 C ATOM 557 O ASP A 569 -15.471 2.839 2.959 1.00 0.79 O ATOM 558 CB ASP A 569 -16.892 5.484 1.969 1.00 1.32 C ATOM 559 CG ASP A 569 -17.198 5.622 0.476 1.00 1.46 C ATOM 560 OD1 ASP A 569 -17.920 4.781 -0.111 1.00 1.40 O ATOM 561 OD2 ASP A 569 -16.772 6.637 -0.127 1.00 2.52 O ATOM 0 H ASP A 569 -17.035 5.202 4.436 1.00 1.12 H new ATOM 0 HA ASP A 569 -18.386 3.972 2.160 1.00 1.14 H new ATOM 0 HB2 ASP A 569 -17.301 6.351 2.488 1.00 1.32 H new ATOM 0 HB3 ASP A 569 -15.811 5.512 2.105 1.00 1.32 H new ATOM 566 N TYR A 570 -17.083 1.977 1.660 1.00 0.98 N ATOM 567 CA TYR A 570 -16.370 0.736 1.304 1.00 0.93 C ATOM 568 C TYR A 570 -15.179 1.037 0.378 1.00 0.82 C ATOM 569 O TYR A 570 -15.359 1.589 -0.712 1.00 0.89 O ATOM 570 CB TYR A 570 -17.327 -0.288 0.669 1.00 1.19 C ATOM 571 CG TYR A 570 -18.235 -1.015 1.650 1.00 1.36 C ATOM 572 CD1 TYR A 570 -17.781 -2.183 2.298 1.00 1.84 C ATOM 573 CD2 TYR A 570 -19.544 -0.554 1.887 1.00 2.64 C ATOM 574 CE1 TYR A 570 -18.625 -2.879 3.189 1.00 1.97 C ATOM 575 CE2 TYR A 570 -20.397 -1.258 2.761 1.00 2.78 C ATOM 576 CZ TYR A 570 -19.940 -2.422 3.417 1.00 1.75 C ATOM 577 OH TYR A 570 -20.774 -3.094 4.260 1.00 1.99 O ATOM 0 H TYR A 570 -18.021 2.027 1.261 1.00 0.98 H new ATOM 0 HA TYR A 570 -15.977 0.296 2.221 1.00 0.93 H new ATOM 0 HB2 TYR A 570 -17.948 0.225 -0.066 1.00 1.19 H new ATOM 0 HB3 TYR A 570 -16.737 -1.027 0.127 1.00 1.19 H new ATOM 0 HD1 TYR A 570 -16.781 -2.547 2.111 1.00 1.84 H new ATOM 0 HD2 TYR A 570 -19.896 0.342 1.397 1.00 2.64 H new ATOM 0 HE1 TYR A 570 -18.264 -3.762 3.696 1.00 1.97 H new ATOM 0 HE2 TYR A 570 -21.404 -0.906 2.930 1.00 2.78 H new ATOM 0 HH TYR A 570 -21.640 -2.636 4.297 1.00 1.99 H new ATOM 587 N ILE A 571 -13.959 0.689 0.802 1.00 0.76 N ATOM 588 CA ILE A 571 -12.731 1.284 0.239 1.00 0.77 C ATOM 589 C ILE A 571 -12.080 0.492 -0.913 1.00 0.80 C ATOM 590 O ILE A 571 -11.412 1.077 -1.764 1.00 0.88 O ATOM 591 CB ILE A 571 -11.709 1.568 1.358 1.00 0.76 C ATOM 592 CG1 ILE A 571 -11.291 0.284 2.094 1.00 0.80 C ATOM 593 CG2 ILE A 571 -12.224 2.565 2.408 1.00 0.79 C ATOM 594 CD1 ILE A 571 -9.933 0.438 2.746 1.00 0.93 C ATOM 0 H ILE A 571 -13.790 -0.002 1.533 1.00 0.76 H new ATOM 0 HA ILE A 571 -13.054 2.218 -0.220 1.00 0.77 H new ATOM 0 HB ILE A 571 -10.853 2.005 0.844 1.00 0.76 H new ATOM 0 HG12 ILE A 571 -12.035 0.039 2.852 1.00 0.80 H new ATOM 0 HG13 ILE A 571 -11.266 -0.549 1.391 1.00 0.80 H new ATOM 0 HG21 ILE A 571 -11.458 2.722 3.167 1.00 0.79 H new ATOM 0 HG22 ILE A 571 -12.456 3.514 1.925 1.00 0.79 H new ATOM 0 HG23 ILE A 571 -13.124 2.167 2.877 1.00 0.79 H new ATOM 0 HD11 ILE A 571 -9.668 -0.487 3.257 1.00 0.93 H new ATOM 0 HD12 ILE A 571 -9.186 0.658 1.983 1.00 0.93 H new ATOM 0 HD13 ILE A 571 -9.966 1.255 3.467 1.00 0.93 H new ATOM 606 N ILE A 572 -12.233 -0.835 -0.925 1.00 0.79 N ATOM 607 CA ILE A 572 -11.469 -1.783 -1.749 1.00 0.82 C ATOM 608 C ILE A 572 -12.383 -2.658 -2.619 1.00 1.06 C ATOM 609 O ILE A 572 -13.497 -2.990 -2.210 1.00 1.48 O ATOM 610 CB ILE A 572 -10.553 -2.599 -0.802 1.00 1.03 C ATOM 611 CG1 ILE A 572 -9.310 -1.739 -0.492 1.00 1.31 C ATOM 612 CG2 ILE A 572 -10.142 -3.962 -1.367 1.00 1.20 C ATOM 613 CD1 ILE A 572 -8.327 -2.316 0.535 1.00 1.23 C ATOM 0 H ILE A 572 -12.923 -1.301 -0.335 1.00 0.79 H new ATOM 0 HA ILE A 572 -10.848 -1.247 -2.467 1.00 0.82 H new ATOM 0 HB ILE A 572 -11.115 -2.825 0.104 1.00 1.03 H new ATOM 0 HG12 ILE A 572 -8.771 -1.567 -1.424 1.00 1.31 H new ATOM 0 HG13 ILE A 572 -9.647 -0.766 -0.135 1.00 1.31 H new ATOM 0 HG21 ILE A 572 -9.502 -4.475 -0.649 1.00 1.20 H new ATOM 0 HG22 ILE A 572 -11.033 -4.562 -1.553 1.00 1.20 H new ATOM 0 HG23 ILE A 572 -9.598 -3.820 -2.301 1.00 1.20 H new ATOM 0 HD11 ILE A 572 -7.495 -1.625 0.671 1.00 1.23 H new ATOM 0 HD12 ILE A 572 -8.838 -2.460 1.487 1.00 1.23 H new ATOM 0 HD13 ILE A 572 -7.948 -3.274 0.178 1.00 1.23 H new ATOM 625 N ARG A 573 -11.899 -3.061 -3.807 1.00 1.13 N ATOM 626 CA ARG A 573 -12.647 -3.913 -4.746 1.00 1.52 C ATOM 627 C ARG A 573 -11.772 -4.808 -5.646 1.00 1.30 C ATOM 628 O ARG A 573 -10.615 -4.496 -5.948 1.00 1.37 O ATOM 629 CB ARG A 573 -13.563 -2.984 -5.580 1.00 2.23 C ATOM 630 CG ARG A 573 -14.877 -3.609 -6.073 1.00 3.22 C ATOM 631 CD ARG A 573 -15.831 -4.059 -4.953 1.00 3.95 C ATOM 632 NE ARG A 573 -16.291 -2.960 -4.083 1.00 4.95 N ATOM 633 CZ ARG A 573 -17.327 -3.006 -3.264 1.00 6.20 C ATOM 634 NH1 ARG A 573 -18.066 -4.064 -3.094 1.00 6.72 N ATOM 635 NH2 ARG A 573 -17.666 -1.956 -2.586 1.00 7.41 N ATOM 0 H ARG A 573 -10.972 -2.803 -4.144 1.00 1.13 H new ATOM 0 HA ARG A 573 -13.227 -4.630 -4.165 1.00 1.52 H new ATOM 0 HB2 ARG A 573 -13.803 -2.107 -4.979 1.00 2.23 H new ATOM 0 HB3 ARG A 573 -13.002 -2.634 -6.446 1.00 2.23 H new ATOM 0 HG2 ARG A 573 -15.394 -2.886 -6.704 1.00 3.22 H new ATOM 0 HG3 ARG A 573 -14.642 -4.469 -6.700 1.00 3.22 H new ATOM 0 HD2 ARG A 573 -16.699 -4.543 -5.401 1.00 3.95 H new ATOM 0 HD3 ARG A 573 -15.329 -4.808 -4.341 1.00 3.95 H new ATOM 0 HE ARG A 573 -15.763 -2.088 -4.117 1.00 4.95 H new ATOM 0 HH11 ARG A 573 -17.857 -4.920 -3.608 1.00 6.72 H new ATOM 0 HH12 ARG A 573 -18.854 -4.037 -2.446 1.00 6.72 H new ATOM 0 HH21 ARG A 573 -17.133 -1.092 -2.684 1.00 7.41 H new ATOM 0 HH22 ARG A 573 -18.466 -1.993 -1.954 1.00 7.41 H new ATOM 649 N GLU A 574 -12.347 -5.922 -6.102 1.00 1.90 N ATOM 650 CA GLU A 574 -11.753 -6.868 -7.064 1.00 1.94 C ATOM 651 C GLU A 574 -12.063 -6.479 -8.529 1.00 2.58 C ATOM 652 O GLU A 574 -13.191 -6.083 -8.843 1.00 3.59 O ATOM 653 CB GLU A 574 -12.305 -8.272 -6.755 1.00 3.23 C ATOM 654 CG GLU A 574 -11.601 -9.393 -7.532 1.00 3.74 C ATOM 655 CD GLU A 574 -12.286 -10.754 -7.372 1.00 5.29 C ATOM 656 OE1 GLU A 574 -12.965 -11.022 -6.350 1.00 6.34 O ATOM 657 OE2 GLU A 574 -12.170 -11.568 -8.318 1.00 6.15 O ATOM 0 H GLU A 574 -13.279 -6.207 -5.802 1.00 1.90 H new ATOM 0 HA GLU A 574 -10.668 -6.847 -6.958 1.00 1.94 H new ATOM 0 HB2 GLU A 574 -12.207 -8.465 -5.687 1.00 3.23 H new ATOM 0 HB3 GLU A 574 -13.370 -8.294 -6.987 1.00 3.23 H new ATOM 0 HG2 GLU A 574 -11.570 -9.130 -8.589 1.00 3.74 H new ATOM 0 HG3 GLU A 574 -10.568 -9.470 -7.192 1.00 3.74 H new ATOM 664 N GLY A 575 -11.103 -6.653 -9.448 1.00 2.56 N ATOM 665 CA GLY A 575 -11.317 -6.370 -10.879 1.00 3.78 C ATOM 666 C GLY A 575 -10.181 -6.687 -11.863 1.00 3.54 C ATOM 667 O GLY A 575 -10.431 -6.692 -13.067 1.00 4.56 O ATOM 0 H GLY A 575 -10.166 -6.990 -9.227 1.00 2.56 H new ATOM 0 HA2 GLY A 575 -12.199 -6.925 -11.199 1.00 3.78 H new ATOM 0 HA3 GLY A 575 -11.555 -5.311 -10.976 1.00 3.78 H new ATOM 671 N THR A 576 -8.952 -6.967 -11.412 1.00 2.34 N ATOM 672 CA THR A 576 -7.801 -7.220 -12.310 1.00 2.23 C ATOM 673 C THR A 576 -6.660 -8.020 -11.669 1.00 1.61 C ATOM 674 O THR A 576 -6.562 -8.111 -10.442 1.00 1.63 O ATOM 675 CB THR A 576 -7.250 -5.893 -12.859 1.00 2.60 C ATOM 676 OG1 THR A 576 -6.391 -6.146 -13.940 1.00 2.83 O ATOM 677 CG2 THR A 576 -6.495 -5.069 -11.811 1.00 2.86 C ATOM 0 H THR A 576 -8.720 -7.026 -10.420 1.00 2.34 H new ATOM 0 HA THR A 576 -8.194 -7.839 -13.116 1.00 2.23 H new ATOM 0 HB THR A 576 -8.115 -5.308 -13.173 1.00 2.60 H new ATOM 0 HG1 THR A 576 -6.044 -5.298 -14.287 1.00 2.83 H new ATOM 0 HG21 THR A 576 -6.133 -4.146 -12.265 1.00 2.86 H new ATOM 0 HG22 THR A 576 -7.165 -4.829 -10.985 1.00 2.86 H new ATOM 0 HG23 THR A 576 -5.649 -5.645 -11.436 1.00 2.86 H new ATOM 685 N ILE A 577 -5.785 -8.561 -12.519 1.00 1.56 N ATOM 686 CA ILE A 577 -4.487 -9.164 -12.204 1.00 1.43 C ATOM 687 C ILE A 577 -3.393 -8.097 -12.366 1.00 1.40 C ATOM 688 O ILE A 577 -3.391 -7.356 -13.348 1.00 1.58 O ATOM 689 CB ILE A 577 -4.204 -10.353 -13.157 1.00 1.67 C ATOM 690 CG1 ILE A 577 -5.182 -11.538 -13.012 1.00 2.11 C ATOM 691 CG2 ILE A 577 -2.781 -10.905 -12.942 1.00 1.91 C ATOM 692 CD1 ILE A 577 -6.603 -11.332 -13.540 1.00 2.58 C ATOM 0 H ILE A 577 -5.979 -8.592 -13.520 1.00 1.56 H new ATOM 0 HA ILE A 577 -4.497 -9.535 -11.179 1.00 1.43 H new ATOM 0 HB ILE A 577 -4.330 -9.931 -14.154 1.00 1.67 H new ATOM 0 HG12 ILE A 577 -4.751 -12.398 -13.525 1.00 2.11 H new ATOM 0 HG13 ILE A 577 -5.247 -11.797 -11.955 1.00 2.11 H new ATOM 0 HG21 ILE A 577 -2.607 -11.738 -13.623 1.00 1.91 H new ATOM 0 HG22 ILE A 577 -2.052 -10.119 -13.138 1.00 1.91 H new ATOM 0 HG23 ILE A 577 -2.676 -11.249 -11.913 1.00 1.91 H new ATOM 0 HD11 ILE A 577 -7.187 -12.238 -13.377 1.00 2.58 H new ATOM 0 HD12 ILE A 577 -7.070 -10.500 -13.013 1.00 2.58 H new ATOM 0 HD13 ILE A 577 -6.566 -11.111 -14.607 1.00 2.58 H new ATOM 704 N GLY A 578 -2.421 -8.051 -11.451 1.00 1.53 N ATOM 705 CA GLY A 578 -1.374 -7.023 -11.471 1.00 1.74 C ATOM 706 C GLY A 578 -1.867 -5.715 -10.840 1.00 1.56 C ATOM 707 O GLY A 578 -1.565 -4.613 -11.312 1.00 1.71 O ATOM 0 H GLY A 578 -2.336 -8.717 -10.683 1.00 1.53 H new ATOM 0 HA2 GLY A 578 -0.498 -7.382 -10.931 1.00 1.74 H new ATOM 0 HA3 GLY A 578 -1.062 -6.839 -12.499 1.00 1.74 H new ATOM 711 N LYS A 579 -2.690 -5.861 -9.793 1.00 1.45 N ATOM 712 CA LYS A 579 -3.323 -4.797 -9.011 1.00 1.38 C ATOM 713 C LYS A 579 -2.280 -3.893 -8.336 1.00 1.23 C ATOM 714 O LYS A 579 -1.173 -4.332 -8.010 1.00 1.35 O ATOM 715 CB LYS A 579 -4.288 -5.454 -8.007 1.00 1.69 C ATOM 716 CG LYS A 579 -5.095 -4.415 -7.222 1.00 2.29 C ATOM 717 CD LYS A 579 -6.147 -5.035 -6.314 1.00 2.70 C ATOM 718 CE LYS A 579 -6.829 -3.879 -5.574 1.00 3.85 C ATOM 719 NZ LYS A 579 -7.980 -4.316 -4.758 1.00 4.72 N ATOM 0 H LYS A 579 -2.946 -6.787 -9.450 1.00 1.45 H new ATOM 0 HA LYS A 579 -3.891 -4.135 -9.664 1.00 1.38 H new ATOM 0 HB2 LYS A 579 -4.971 -6.116 -8.540 1.00 1.69 H new ATOM 0 HB3 LYS A 579 -3.721 -6.074 -7.312 1.00 1.69 H new ATOM 0 HG2 LYS A 579 -4.413 -3.814 -6.620 1.00 2.29 H new ATOM 0 HG3 LYS A 579 -5.583 -3.738 -7.923 1.00 2.29 H new ATOM 0 HD2 LYS A 579 -6.873 -5.604 -6.895 1.00 2.70 H new ATOM 0 HD3 LYS A 579 -5.689 -5.729 -5.609 1.00 2.70 H new ATOM 0 HE2 LYS A 579 -6.100 -3.387 -4.930 1.00 3.85 H new ATOM 0 HE3 LYS A 579 -7.165 -3.138 -6.300 1.00 3.85 H new ATOM 0 HZ1 LYS A 579 -8.114 -3.657 -3.965 1.00 4.72 H new ATOM 0 HZ2 LYS A 579 -8.838 -4.329 -5.346 1.00 4.72 H new ATOM 0 HZ3 LYS A 579 -7.800 -5.271 -4.388 1.00 4.72 H new ATOM 733 N LYS A 580 -2.661 -2.640 -8.085 1.00 1.14 N ATOM 734 CA LYS A 580 -1.852 -1.636 -7.385 1.00 1.06 C ATOM 735 C LYS A 580 -1.969 -1.734 -5.857 1.00 1.00 C ATOM 736 O LYS A 580 -2.961 -2.239 -5.338 1.00 1.08 O ATOM 737 CB LYS A 580 -2.219 -0.243 -7.908 1.00 1.18 C ATOM 738 CG LYS A 580 -3.559 0.352 -7.454 1.00 1.68 C ATOM 739 CD LYS A 580 -3.545 1.864 -7.712 1.00 2.32 C ATOM 740 CE LYS A 580 -4.837 2.508 -7.210 1.00 3.35 C ATOM 741 NZ LYS A 580 -4.769 3.988 -7.257 1.00 4.17 N ATOM 0 H LYS A 580 -3.572 -2.282 -8.372 1.00 1.14 H new ATOM 0 HA LYS A 580 -0.801 -1.831 -7.599 1.00 1.06 H new ATOM 0 HB2 LYS A 580 -1.428 0.446 -7.614 1.00 1.18 H new ATOM 0 HB3 LYS A 580 -2.220 -0.282 -8.997 1.00 1.18 H new ATOM 0 HG2 LYS A 580 -4.382 -0.115 -7.996 1.00 1.68 H new ATOM 0 HG3 LYS A 580 -3.721 0.152 -6.395 1.00 1.68 H new ATOM 0 HD2 LYS A 580 -2.689 2.316 -7.211 1.00 2.32 H new ATOM 0 HD3 LYS A 580 -3.428 2.055 -8.779 1.00 2.32 H new ATOM 0 HE2 LYS A 580 -5.674 2.163 -7.817 1.00 3.35 H new ATOM 0 HE3 LYS A 580 -5.030 2.185 -6.187 1.00 3.35 H new ATOM 0 HZ1 LYS A 580 -5.621 4.389 -6.815 1.00 4.17 H new ATOM 0 HZ2 LYS A 580 -3.926 4.313 -6.742 1.00 4.17 H new ATOM 0 HZ3 LYS A 580 -4.712 4.302 -8.247 1.00 4.17 H new ATOM 755 N MET A 581 -0.958 -1.256 -5.129 1.00 1.02 N ATOM 756 CA MET A 581 -0.834 -1.482 -3.678 1.00 1.21 C ATOM 757 C MET A 581 -1.388 -0.314 -2.844 1.00 1.19 C ATOM 758 O MET A 581 -1.149 0.843 -3.195 1.00 1.19 O ATOM 759 CB MET A 581 0.632 -1.835 -3.370 1.00 1.52 C ATOM 760 CG MET A 581 0.899 -2.208 -1.908 1.00 1.95 C ATOM 761 SD MET A 581 1.218 -0.800 -0.810 1.00 1.57 S ATOM 762 CE MET A 581 1.351 -1.690 0.759 1.00 1.59 C ATOM 0 H MET A 581 -0.199 -0.700 -5.524 1.00 1.02 H new ATOM 0 HA MET A 581 -1.460 -2.323 -3.380 1.00 1.21 H new ATOM 0 HB2 MET A 581 0.934 -2.667 -4.006 1.00 1.52 H new ATOM 0 HB3 MET A 581 1.261 -0.986 -3.636 1.00 1.52 H new ATOM 0 HG2 MET A 581 0.041 -2.761 -1.526 1.00 1.95 H new ATOM 0 HG3 MET A 581 1.755 -2.882 -1.870 1.00 1.95 H new ATOM 0 HE1 MET A 581 1.549 -0.982 1.563 1.00 1.59 H new ATOM 0 HE2 MET A 581 0.417 -2.215 0.960 1.00 1.59 H new ATOM 0 HE3 MET A 581 2.167 -2.410 0.701 1.00 1.59 H new ATOM 772 N TYR A 582 -2.107 -0.604 -1.745 1.00 1.28 N ATOM 773 CA TYR A 582 -2.747 0.394 -0.871 1.00 1.29 C ATOM 774 C TYR A 582 -2.195 0.349 0.568 1.00 1.37 C ATOM 775 O TYR A 582 -1.976 -0.720 1.145 1.00 1.43 O ATOM 776 CB TYR A 582 -4.286 0.236 -0.823 1.00 1.33 C ATOM 777 CG TYR A 582 -5.093 0.377 -2.107 1.00 1.23 C ATOM 778 CD1 TYR A 582 -4.905 -0.500 -3.197 1.00 2.46 C ATOM 779 CD2 TYR A 582 -6.124 1.336 -2.165 1.00 1.84 C ATOM 780 CE1 TYR A 582 -5.682 -0.365 -4.363 1.00 2.49 C ATOM 781 CE2 TYR A 582 -6.915 1.463 -3.322 1.00 2.20 C ATOM 782 CZ TYR A 582 -6.681 0.628 -4.432 1.00 1.77 C ATOM 783 OH TYR A 582 -7.414 0.794 -5.563 1.00 2.23 O ATOM 0 H TYR A 582 -2.263 -1.563 -1.433 1.00 1.28 H new ATOM 0 HA TYR A 582 -2.506 1.360 -1.314 1.00 1.29 H new ATOM 0 HB2 TYR A 582 -4.501 -0.749 -0.408 1.00 1.33 H new ATOM 0 HB3 TYR A 582 -4.668 0.971 -0.114 1.00 1.33 H new ATOM 0 HD1 TYR A 582 -4.160 -1.280 -3.136 1.00 2.46 H new ATOM 0 HD2 TYR A 582 -6.308 1.978 -1.316 1.00 1.84 H new ATOM 0 HE1 TYR A 582 -5.513 -1.021 -5.204 1.00 2.49 H new ATOM 0 HE2 TYR A 582 -7.702 2.201 -3.359 1.00 2.20 H new ATOM 0 HH TYR A 582 -8.057 1.522 -5.432 1.00 2.23 H new ATOM 793 N PHE A 583 -2.059 1.513 1.212 1.00 1.36 N ATOM 794 CA PHE A 583 -1.806 1.579 2.658 1.00 1.37 C ATOM 795 C PHE A 583 -2.414 2.815 3.322 1.00 1.34 C ATOM 796 O PHE A 583 -2.802 3.780 2.659 1.00 1.34 O ATOM 797 CB PHE A 583 -0.311 1.404 2.975 1.00 1.42 C ATOM 798 CG PHE A 583 0.599 2.583 2.714 1.00 1.42 C ATOM 799 CD1 PHE A 583 0.632 3.676 3.601 1.00 2.35 C ATOM 800 CD2 PHE A 583 1.481 2.544 1.623 1.00 2.21 C ATOM 801 CE1 PHE A 583 1.501 4.754 3.363 1.00 2.75 C ATOM 802 CE2 PHE A 583 2.377 3.606 1.405 1.00 2.26 C ATOM 803 CZ PHE A 583 2.371 4.722 2.261 1.00 2.07 C ATOM 0 H PHE A 583 -2.120 2.423 0.756 1.00 1.36 H new ATOM 0 HA PHE A 583 -2.329 0.734 3.105 1.00 1.37 H new ATOM 0 HB2 PHE A 583 -0.219 1.134 4.027 1.00 1.42 H new ATOM 0 HB3 PHE A 583 0.059 0.558 2.396 1.00 1.42 H new ATOM 0 HD1 PHE A 583 -0.013 3.686 4.467 1.00 2.35 H new ATOM 0 HD2 PHE A 583 1.472 1.699 0.951 1.00 2.21 H new ATOM 0 HE1 PHE A 583 1.500 5.606 4.027 1.00 2.75 H new ATOM 0 HE2 PHE A 583 3.071 3.564 0.579 1.00 2.26 H new ATOM 0 HZ PHE A 583 3.034 5.553 2.071 1.00 2.07 H new ATOM 813 N ILE A 584 -2.531 2.762 4.650 1.00 1.36 N ATOM 814 CA ILE A 584 -3.290 3.735 5.440 1.00 1.34 C ATOM 815 C ILE A 584 -2.382 4.885 5.875 1.00 1.42 C ATOM 816 O ILE A 584 -1.502 4.696 6.716 1.00 1.48 O ATOM 817 CB ILE A 584 -4.021 3.038 6.612 1.00 1.31 C ATOM 818 CG1 ILE A 584 -4.744 1.774 6.089 1.00 1.24 C ATOM 819 CG2 ILE A 584 -5.051 4.042 7.178 1.00 1.25 C ATOM 820 CD1 ILE A 584 -5.611 1.051 7.110 1.00 1.19 C ATOM 0 H ILE A 584 -2.096 2.033 5.215 1.00 1.36 H new ATOM 0 HA ILE A 584 -4.073 4.178 4.824 1.00 1.34 H new ATOM 0 HB ILE A 584 -3.317 2.737 7.388 1.00 1.31 H new ATOM 0 HG12 ILE A 584 -5.369 2.057 5.242 1.00 1.24 H new ATOM 0 HG13 ILE A 584 -3.995 1.076 5.714 1.00 1.24 H new ATOM 0 HG21 ILE A 584 -5.587 3.584 8.009 1.00 1.25 H new ATOM 0 HG22 ILE A 584 -4.534 4.935 7.529 1.00 1.25 H new ATOM 0 HG23 ILE A 584 -5.759 4.316 6.396 1.00 1.25 H new ATOM 0 HD11 ILE A 584 -6.073 0.180 6.644 1.00 1.19 H new ATOM 0 HD12 ILE A 584 -4.994 0.729 7.949 1.00 1.19 H new ATOM 0 HD13 ILE A 584 -6.388 1.725 7.470 1.00 1.19 H new ATOM 832 N GLN A 585 -2.591 6.079 5.308 1.00 1.45 N ATOM 833 CA GLN A 585 -1.729 7.241 5.544 1.00 1.58 C ATOM 834 C GLN A 585 -2.203 8.059 6.752 1.00 1.50 C ATOM 835 O GLN A 585 -1.384 8.388 7.609 1.00 1.57 O ATOM 836 CB GLN A 585 -1.628 8.048 4.238 1.00 1.77 C ATOM 837 CG GLN A 585 -0.549 9.146 4.253 1.00 2.03 C ATOM 838 CD GLN A 585 -1.003 10.457 4.889 1.00 2.06 C ATOM 839 OE1 GLN A 585 -0.495 10.895 5.913 1.00 3.10 O ATOM 840 NE2 GLN A 585 -1.943 11.145 4.285 1.00 2.39 N ATOM 0 H GLN A 585 -3.365 6.266 4.671 1.00 1.45 H new ATOM 0 HA GLN A 585 -0.723 6.920 5.813 1.00 1.58 H new ATOM 0 HB2 GLN A 585 -1.421 7.363 3.416 1.00 1.77 H new ATOM 0 HB3 GLN A 585 -2.595 8.508 4.033 1.00 1.77 H new ATOM 0 HG2 GLN A 585 0.323 8.776 4.792 1.00 2.03 H new ATOM 0 HG3 GLN A 585 -0.231 9.342 3.229 1.00 2.03 H new ATOM 0 HE21 GLN A 585 -2.370 10.785 3.431 1.00 2.39 H new ATOM 0 HE22 GLN A 585 -2.247 12.040 4.669 1.00 2.39 H new ATOM 849 N HIS A 586 -3.510 8.332 6.881 1.00 1.38 N ATOM 850 CA HIS A 586 -4.079 8.941 8.088 1.00 1.36 C ATOM 851 C HIS A 586 -5.580 8.642 8.261 1.00 1.15 C ATOM 852 O HIS A 586 -6.411 9.237 7.577 1.00 1.01 O ATOM 853 CB HIS A 586 -3.841 10.456 8.036 1.00 1.56 C ATOM 854 CG HIS A 586 -4.117 11.121 9.355 1.00 1.58 C ATOM 855 ND1 HIS A 586 -3.235 11.212 10.404 1.00 2.75 N ATOM 856 CD2 HIS A 586 -5.271 11.756 9.731 1.00 1.84 C ATOM 857 CE1 HIS A 586 -3.825 11.925 11.378 1.00 2.59 C ATOM 858 NE2 HIS A 586 -5.077 12.265 11.022 1.00 2.03 N ATOM 0 H HIS A 586 -4.198 8.137 6.154 1.00 1.38 H new ATOM 0 HA HIS A 586 -3.579 8.503 8.951 1.00 1.36 H new ATOM 0 HB2 HIS A 586 -2.809 10.650 7.742 1.00 1.56 H new ATOM 0 HB3 HIS A 586 -4.479 10.896 7.269 1.00 1.56 H new ATOM 0 HD2 HIS A 586 -6.169 11.848 9.139 1.00 1.84 H new ATOM 0 HE1 HIS A 586 -3.359 12.188 12.316 1.00 2.59 H new ATOM 0 HE2 HIS A 586 -5.751 12.789 11.581 1.00 2.03 H new ATOM 866 N GLY A 587 -5.943 7.756 9.190 1.00 1.23 N ATOM 867 CA GLY A 587 -7.317 7.525 9.631 1.00 1.12 C ATOM 868 C GLY A 587 -7.497 6.120 10.205 1.00 1.04 C ATOM 869 O GLY A 587 -6.525 5.479 10.618 1.00 1.14 O ATOM 0 H GLY A 587 -5.267 7.162 9.670 1.00 1.23 H new ATOM 0 HA2 GLY A 587 -7.586 8.264 10.386 1.00 1.12 H new ATOM 0 HA3 GLY A 587 -7.997 7.665 8.791 1.00 1.12 H new ATOM 873 N VAL A 588 -8.743 5.640 10.215 1.00 0.92 N ATOM 874 CA VAL A 588 -9.147 4.341 10.766 1.00 0.83 C ATOM 875 C VAL A 588 -10.136 3.664 9.803 1.00 0.71 C ATOM 876 O VAL A 588 -10.935 4.328 9.135 1.00 0.72 O ATOM 877 CB VAL A 588 -9.747 4.486 12.190 1.00 0.89 C ATOM 878 CG1 VAL A 588 -10.037 3.141 12.869 1.00 0.87 C ATOM 879 CG2 VAL A 588 -8.828 5.268 13.140 1.00 0.99 C ATOM 0 H VAL A 588 -9.528 6.163 9.826 1.00 0.92 H new ATOM 0 HA VAL A 588 -8.263 3.711 10.865 1.00 0.83 H new ATOM 0 HB VAL A 588 -10.679 5.026 12.022 1.00 0.89 H new ATOM 0 HG11 VAL A 588 -10.455 3.316 13.860 1.00 0.87 H new ATOM 0 HG12 VAL A 588 -10.751 2.577 12.269 1.00 0.87 H new ATOM 0 HG13 VAL A 588 -9.111 2.573 12.961 1.00 0.87 H new ATOM 0 HG21 VAL A 588 -9.296 5.340 14.122 1.00 0.99 H new ATOM 0 HG22 VAL A 588 -7.873 4.751 13.230 1.00 0.99 H new ATOM 0 HG23 VAL A 588 -8.662 6.270 12.743 1.00 0.99 H new ATOM 889 N VAL A 589 -10.091 2.338 9.719 1.00 0.65 N ATOM 890 CA VAL A 589 -10.983 1.495 8.908 1.00 0.59 C ATOM 891 C VAL A 589 -11.566 0.371 9.760 1.00 0.60 C ATOM 892 O VAL A 589 -10.924 -0.103 10.694 1.00 0.66 O ATOM 893 CB VAL A 589 -10.278 0.922 7.661 1.00 0.62 C ATOM 894 CG1 VAL A 589 -9.754 2.036 6.745 1.00 0.71 C ATOM 895 CG2 VAL A 589 -9.113 -0.004 8.025 1.00 0.72 C ATOM 0 H VAL A 589 -9.403 1.790 10.236 1.00 0.65 H new ATOM 0 HA VAL A 589 -11.793 2.131 8.550 1.00 0.59 H new ATOM 0 HB VAL A 589 -11.036 0.343 7.134 1.00 0.62 H new ATOM 0 HG11 VAL A 589 -9.264 1.594 5.878 1.00 0.71 H new ATOM 0 HG12 VAL A 589 -10.587 2.657 6.414 1.00 0.71 H new ATOM 0 HG13 VAL A 589 -9.039 2.650 7.292 1.00 0.71 H new ATOM 0 HG21 VAL A 589 -8.650 -0.381 7.113 1.00 0.72 H new ATOM 0 HG22 VAL A 589 -8.375 0.550 8.605 1.00 0.72 H new ATOM 0 HG23 VAL A 589 -9.484 -0.841 8.616 1.00 0.72 H new ATOM 905 N SER A 590 -12.755 -0.088 9.395 1.00 0.61 N ATOM 906 CA SER A 590 -13.477 -1.201 10.020 1.00 0.83 C ATOM 907 C SER A 590 -13.678 -2.279 8.961 1.00 1.02 C ATOM 908 O SER A 590 -14.134 -2.035 7.843 1.00 0.95 O ATOM 909 CB SER A 590 -14.828 -0.720 10.561 1.00 1.08 C ATOM 910 OG SER A 590 -14.631 0.310 11.508 1.00 1.25 O ATOM 0 H SER A 590 -13.272 0.322 8.617 1.00 0.61 H new ATOM 0 HA SER A 590 -12.908 -1.601 10.859 1.00 0.83 H new ATOM 0 HB2 SER A 590 -15.449 -0.358 9.742 1.00 1.08 H new ATOM 0 HB3 SER A 590 -15.361 -1.552 11.022 1.00 1.08 H new ATOM 0 HG SER A 590 -15.499 0.613 11.847 1.00 1.25 H new ATOM 916 N VAL A 591 -13.218 -3.473 9.285 1.00 1.28 N ATOM 917 CA VAL A 591 -12.553 -4.376 8.361 1.00 1.10 C ATOM 918 C VAL A 591 -13.053 -5.783 8.645 1.00 0.94 C ATOM 919 O VAL A 591 -13.404 -6.085 9.786 1.00 0.96 O ATOM 920 CB VAL A 591 -11.052 -4.201 8.640 1.00 1.29 C ATOM 921 CG1 VAL A 591 -10.711 -4.484 10.086 1.00 2.59 C ATOM 922 CG2 VAL A 591 -10.130 -5.176 8.011 1.00 1.29 C ATOM 0 H VAL A 591 -13.299 -3.854 10.228 1.00 1.28 H new ATOM 0 HA VAL A 591 -12.752 -4.176 7.308 1.00 1.10 H new ATOM 0 HB VAL A 591 -10.915 -3.185 8.269 1.00 1.29 H new ATOM 0 HG11 VAL A 591 -9.641 -4.349 10.241 1.00 2.59 H new ATOM 0 HG12 VAL A 591 -11.260 -3.798 10.730 1.00 2.59 H new ATOM 0 HG13 VAL A 591 -10.986 -5.510 10.331 1.00 2.59 H new ATOM 0 HG21 VAL A 591 -9.103 -4.938 8.289 1.00 1.29 H new ATOM 0 HG22 VAL A 591 -10.375 -6.181 8.353 1.00 1.29 H new ATOM 0 HG23 VAL A 591 -10.233 -5.127 6.927 1.00 1.29 H new ATOM 932 N LEU A 592 -13.093 -6.645 7.637 1.00 0.94 N ATOM 933 CA LEU A 592 -13.578 -8.005 7.807 1.00 1.20 C ATOM 934 C LEU A 592 -12.610 -9.002 7.170 1.00 1.45 C ATOM 935 O LEU A 592 -12.318 -8.928 5.967 1.00 1.53 O ATOM 936 CB LEU A 592 -14.974 -8.199 7.170 1.00 1.45 C ATOM 937 CG LEU A 592 -16.205 -7.386 7.614 1.00 1.56 C ATOM 938 CD1 LEU A 592 -16.504 -7.529 9.102 1.00 1.78 C ATOM 939 CD2 LEU A 592 -16.187 -5.903 7.236 1.00 1.63 C ATOM 0 H LEU A 592 -12.793 -6.422 6.688 1.00 0.94 H new ATOM 0 HA LEU A 592 -13.651 -8.184 8.880 1.00 1.20 H new ATOM 0 HB2 LEU A 592 -14.856 -8.027 6.100 1.00 1.45 H new ATOM 0 HB3 LEU A 592 -15.232 -9.250 7.297 1.00 1.45 H new ATOM 0 HG LEU A 592 -17.010 -7.841 7.037 1.00 1.56 H new ATOM 0 HD11 LEU A 592 -17.381 -6.934 9.356 1.00 1.78 H new ATOM 0 HD12 LEU A 592 -16.696 -8.576 9.336 1.00 1.78 H new ATOM 0 HD13 LEU A 592 -15.649 -7.179 9.680 1.00 1.78 H new ATOM 0 HD21 LEU A 592 -17.098 -5.425 7.595 1.00 1.63 H new ATOM 0 HD22 LEU A 592 -15.321 -5.422 7.691 1.00 1.63 H new ATOM 0 HD23 LEU A 592 -16.129 -5.804 6.152 1.00 1.63 H new ATOM 951 N THR A 593 -12.169 -9.985 7.950 1.00 1.74 N ATOM 952 CA THR A 593 -11.536 -11.190 7.364 1.00 2.12 C ATOM 953 C THR A 593 -12.551 -12.233 6.849 1.00 2.37 C ATOM 954 O THR A 593 -13.626 -12.439 7.428 1.00 2.54 O ATOM 955 CB THR A 593 -10.451 -11.778 8.276 1.00 2.45 C ATOM 956 OG1 THR A 593 -10.853 -11.837 9.626 1.00 2.60 O ATOM 957 CG2 THR A 593 -9.210 -10.894 8.209 1.00 2.47 C ATOM 0 H THR A 593 -12.230 -9.985 8.968 1.00 1.74 H new ATOM 0 HA THR A 593 -11.019 -10.854 6.465 1.00 2.12 H new ATOM 0 HB THR A 593 -10.255 -12.791 7.925 1.00 2.45 H new ATOM 0 HG1 THR A 593 -10.130 -12.220 10.166 1.00 2.60 H new ATOM 0 HG21 THR A 593 -8.435 -11.306 8.855 1.00 2.47 H new ATOM 0 HG22 THR A 593 -8.845 -10.856 7.183 1.00 2.47 H new ATOM 0 HG23 THR A 593 -9.462 -9.887 8.542 1.00 2.47 H new ATOM 965 N LYS A 594 -12.260 -12.900 5.717 1.00 2.53 N ATOM 966 CA LYS A 594 -13.217 -13.811 5.052 1.00 2.83 C ATOM 967 C LYS A 594 -13.357 -15.137 5.793 1.00 3.23 C ATOM 968 O LYS A 594 -12.366 -15.684 6.271 1.00 3.37 O ATOM 969 CB LYS A 594 -12.972 -13.950 3.538 1.00 3.01 C ATOM 970 CG LYS A 594 -12.113 -15.111 3.000 1.00 3.65 C ATOM 971 CD LYS A 594 -10.588 -14.915 3.073 1.00 3.65 C ATOM 972 CE LYS A 594 -9.936 -15.637 4.256 1.00 4.43 C ATOM 973 NZ LYS A 594 -9.864 -17.103 4.041 1.00 5.37 N ATOM 0 H LYS A 594 -11.362 -12.825 5.238 1.00 2.53 H new ATOM 0 HA LYS A 594 -14.197 -13.339 5.118 1.00 2.83 H new ATOM 0 HB2 LYS A 594 -13.948 -14.018 3.057 1.00 3.01 H new ATOM 0 HB3 LYS A 594 -12.513 -13.022 3.197 1.00 3.01 H new ATOM 0 HG2 LYS A 594 -12.370 -16.014 3.555 1.00 3.65 H new ATOM 0 HG3 LYS A 594 -12.387 -15.287 1.960 1.00 3.65 H new ATOM 0 HD2 LYS A 594 -10.139 -15.273 2.147 1.00 3.65 H new ATOM 0 HD3 LYS A 594 -10.369 -13.849 3.142 1.00 3.65 H new ATOM 0 HE2 LYS A 594 -8.931 -15.244 4.412 1.00 4.43 H new ATOM 0 HE3 LYS A 594 -10.503 -15.431 5.164 1.00 4.43 H new ATOM 0 HZ1 LYS A 594 -9.760 -17.584 4.957 1.00 5.37 H new ATOM 0 HZ2 LYS A 594 -10.735 -17.429 3.576 1.00 5.37 H new ATOM 0 HZ3 LYS A 594 -9.046 -17.326 3.439 1.00 5.37 H new ATOM 987 N GLY A 595 -14.585 -15.624 5.955 1.00 4.05 N ATOM 988 CA GLY A 595 -14.922 -16.653 6.950 1.00 4.44 C ATOM 989 C GLY A 595 -15.095 -16.118 8.367 1.00 4.15 C ATOM 990 O GLY A 595 -15.657 -16.797 9.228 1.00 4.49 O ATOM 0 H GLY A 595 -15.383 -15.317 5.399 1.00 4.05 H new ATOM 0 HA2 GLY A 595 -15.844 -17.149 6.646 1.00 4.44 H new ATOM 0 HA3 GLY A 595 -14.138 -17.411 6.953 1.00 4.44 H new ATOM 994 N ASN A 596 -14.556 -14.933 8.645 1.00 3.56 N ATOM 995 CA ASN A 596 -13.980 -14.646 9.942 1.00 3.31 C ATOM 996 C ASN A 596 -14.538 -13.329 10.514 1.00 2.81 C ATOM 997 O ASN A 596 -15.742 -13.064 10.422 1.00 2.97 O ATOM 998 CB ASN A 596 -12.453 -14.610 9.791 1.00 3.30 C ATOM 999 CG ASN A 596 -11.701 -15.776 9.190 1.00 3.84 C ATOM 1000 OD1 ASN A 596 -12.156 -16.913 9.129 1.00 4.28 O ATOM 1001 ND2 ASN A 596 -10.474 -15.503 8.805 1.00 3.92 N ATOM 0 H ASN A 596 -14.510 -14.159 7.983 1.00 3.56 H new ATOM 0 HA ASN A 596 -14.249 -15.425 10.655 1.00 3.31 H new ATOM 0 HB2 ASN A 596 -12.212 -13.732 9.191 1.00 3.30 H new ATOM 0 HB3 ASN A 596 -12.038 -14.441 10.785 1.00 3.30 H new ATOM 0 HD21 ASN A 596 -9.875 -16.246 8.445 1.00 3.92 H new ATOM 0 HD22 ASN A 596 -10.121 -14.548 8.867 1.00 3.92 H new ATOM 1008 N LYS A 597 -13.679 -12.558 11.192 1.00 2.40 N ATOM 1009 CA LYS A 597 -14.070 -11.569 12.185 1.00 2.03 C ATOM 1010 C LYS A 597 -14.078 -10.141 11.671 1.00 1.63 C ATOM 1011 O LYS A 597 -13.430 -9.825 10.675 1.00 1.65 O ATOM 1012 CB LYS A 597 -13.200 -11.690 13.451 1.00 2.12 C ATOM 1013 CG LYS A 597 -13.376 -12.988 14.256 1.00 2.59 C ATOM 1014 CD LYS A 597 -12.454 -14.158 13.864 1.00 2.69 C ATOM 1015 CE LYS A 597 -13.225 -15.303 13.216 1.00 3.75 C ATOM 1016 NZ LYS A 597 -12.541 -16.603 13.389 1.00 4.66 N ATOM 0 H LYS A 597 -12.669 -12.612 11.057 1.00 2.40 H new ATOM 0 HA LYS A 597 -15.106 -11.798 12.435 1.00 2.03 H new ATOM 0 HB2 LYS A 597 -12.153 -11.603 13.160 1.00 2.12 H new ATOM 0 HB3 LYS A 597 -13.421 -10.846 14.104 1.00 2.12 H new ATOM 0 HG2 LYS A 597 -13.215 -12.763 15.310 1.00 2.59 H new ATOM 0 HG3 LYS A 597 -14.410 -13.317 14.155 1.00 2.59 H new ATOM 0 HD2 LYS A 597 -11.689 -13.801 13.175 1.00 2.69 H new ATOM 0 HD3 LYS A 597 -11.938 -14.525 14.751 1.00 2.69 H new ATOM 0 HE2 LYS A 597 -14.223 -15.359 13.650 1.00 3.75 H new ATOM 0 HE3 LYS A 597 -13.351 -15.099 12.153 1.00 3.75 H new ATOM 0 HZ1 LYS A 597 -13.100 -17.353 12.933 1.00 4.66 H new ATOM 0 HZ2 LYS A 597 -11.598 -16.560 12.952 1.00 4.66 H new ATOM 0 HZ3 LYS A 597 -12.444 -16.812 14.403 1.00 4.66 H new ATOM 1030 N GLU A 598 -14.773 -9.274 12.409 1.00 1.50 N ATOM 1031 CA GLU A 598 -14.505 -7.846 12.318 1.00 1.23 C ATOM 1032 C GLU A 598 -13.279 -7.448 13.145 1.00 1.09 C ATOM 1033 O GLU A 598 -13.129 -7.794 14.325 1.00 1.16 O ATOM 1034 CB GLU A 598 -15.732 -6.946 12.565 1.00 1.52 C ATOM 1035 CG GLU A 598 -16.114 -6.644 14.022 1.00 2.11 C ATOM 1036 CD GLU A 598 -17.134 -5.502 14.069 1.00 2.63 C ATOM 1037 OE1 GLU A 598 -18.274 -5.683 13.571 1.00 3.01 O ATOM 1038 OE2 GLU A 598 -16.801 -4.403 14.579 1.00 3.69 O ATOM 0 H GLU A 598 -15.511 -9.533 13.063 1.00 1.50 H new ATOM 0 HA GLU A 598 -14.259 -7.658 11.273 1.00 1.23 H new ATOM 0 HB2 GLU A 598 -15.558 -5.996 12.060 1.00 1.52 H new ATOM 0 HB3 GLU A 598 -16.592 -7.411 12.082 1.00 1.52 H new ATOM 0 HG2 GLU A 598 -16.532 -7.536 14.490 1.00 2.11 H new ATOM 0 HG3 GLU A 598 -15.225 -6.372 14.591 1.00 2.11 H new ATOM 1045 N MET A 599 -12.432 -6.655 12.505 1.00 1.00 N ATOM 1046 CA MET A 599 -11.399 -5.831 13.108 1.00 0.98 C ATOM 1047 C MET A 599 -11.703 -4.352 12.885 1.00 1.17 C ATOM 1048 O MET A 599 -12.673 -3.991 12.206 1.00 1.72 O ATOM 1049 CB MET A 599 -9.981 -6.311 12.739 1.00 1.01 C ATOM 1050 CG MET A 599 -9.621 -7.589 13.501 1.00 1.41 C ATOM 1051 SD MET A 599 -10.225 -9.152 12.811 1.00 2.84 S ATOM 1052 CE MET A 599 -9.174 -9.245 11.341 1.00 2.25 C ATOM 0 H MET A 599 -12.450 -6.566 11.489 1.00 1.00 H new ATOM 0 HA MET A 599 -11.412 -5.953 14.191 1.00 0.98 H new ATOM 0 HB2 MET A 599 -9.922 -6.494 11.666 1.00 1.01 H new ATOM 0 HB3 MET A 599 -9.257 -5.529 12.969 1.00 1.01 H new ATOM 0 HG2 MET A 599 -8.535 -7.647 13.572 1.00 1.41 H new ATOM 0 HG3 MET A 599 -10.003 -7.497 14.518 1.00 1.41 H new ATOM 0 HE1 MET A 599 -9.108 -10.280 11.005 1.00 2.25 H new ATOM 0 HE2 MET A 599 -9.603 -8.633 10.548 1.00 2.25 H new ATOM 0 HE3 MET A 599 -8.177 -8.878 11.583 1.00 2.25 H new ATOM 1062 N LYS A 600 -10.872 -3.492 13.469 1.00 0.94 N ATOM 1063 CA LYS A 600 -10.395 -2.244 12.901 1.00 0.91 C ATOM 1064 C LYS A 600 -8.914 -2.321 12.536 1.00 1.02 C ATOM 1065 O LYS A 600 -8.135 -3.036 13.164 1.00 1.20 O ATOM 1066 CB LYS A 600 -10.571 -1.102 13.930 1.00 0.94 C ATOM 1067 CG LYS A 600 -11.923 -0.388 13.982 1.00 1.04 C ATOM 1068 CD LYS A 600 -13.165 -1.272 13.993 1.00 1.28 C ATOM 1069 CE LYS A 600 -13.247 -2.163 15.247 1.00 1.57 C ATOM 1070 NZ LYS A 600 -14.584 -2.780 15.455 1.00 2.43 N ATOM 0 H LYS A 600 -10.496 -3.661 14.402 1.00 0.94 H new ATOM 0 HA LYS A 600 -10.977 -2.054 11.999 1.00 0.91 H new ATOM 0 HB2 LYS A 600 -10.370 -1.510 14.920 1.00 0.94 H new ATOM 0 HB3 LYS A 600 -9.804 -0.353 13.733 1.00 0.94 H new ATOM 0 HG2 LYS A 600 -11.943 0.238 14.874 1.00 1.04 H new ATOM 0 HG3 LYS A 600 -11.988 0.280 13.123 1.00 1.04 H new ATOM 0 HD2 LYS A 600 -14.054 -0.644 13.940 1.00 1.28 H new ATOM 0 HD3 LYS A 600 -13.166 -1.902 13.104 1.00 1.28 H new ATOM 0 HE2 LYS A 600 -12.500 -2.953 15.170 1.00 1.57 H new ATOM 0 HE3 LYS A 600 -12.991 -1.567 16.123 1.00 1.57 H new ATOM 0 HZ1 LYS A 600 -14.548 -3.418 16.276 1.00 2.43 H new ATOM 0 HZ2 LYS A 600 -15.288 -2.034 15.627 1.00 2.43 H new ATOM 0 HZ3 LYS A 600 -14.852 -3.320 14.608 1.00 2.43 H new ATOM 1084 N LEU A 601 -8.552 -1.492 11.568 1.00 0.96 N ATOM 1085 CA LEU A 601 -7.172 -1.137 11.179 1.00 1.02 C ATOM 1086 C LEU A 601 -6.994 0.394 11.221 1.00 0.97 C ATOM 1087 O LEU A 601 -7.976 1.130 11.151 1.00 0.89 O ATOM 1088 CB LEU A 601 -6.840 -1.703 9.776 1.00 1.06 C ATOM 1089 CG LEU A 601 -5.826 -2.856 9.735 1.00 1.13 C ATOM 1090 CD1 LEU A 601 -6.422 -4.129 10.327 1.00 1.19 C ATOM 1091 CD2 LEU A 601 -5.450 -3.156 8.281 1.00 1.16 C ATOM 0 H LEU A 601 -9.245 -1.015 10.992 1.00 0.96 H new ATOM 0 HA LEU A 601 -6.475 -1.583 11.888 1.00 1.02 H new ATOM 0 HB2 LEU A 601 -7.767 -2.045 9.316 1.00 1.06 H new ATOM 0 HB3 LEU A 601 -6.459 -0.889 9.159 1.00 1.06 H new ATOM 0 HG LEU A 601 -4.954 -2.553 10.314 1.00 1.13 H new ATOM 0 HD11 LEU A 601 -5.684 -4.930 10.286 1.00 1.19 H new ATOM 0 HD12 LEU A 601 -6.706 -3.950 11.364 1.00 1.19 H new ATOM 0 HD13 LEU A 601 -7.303 -4.418 9.755 1.00 1.19 H new ATOM 0 HD21 LEU A 601 -4.730 -3.974 8.253 1.00 1.16 H new ATOM 0 HD22 LEU A 601 -6.344 -3.439 7.725 1.00 1.16 H new ATOM 0 HD23 LEU A 601 -5.008 -2.268 7.829 1.00 1.16 H new ATOM 1103 N SER A 602 -5.761 0.901 11.296 1.00 1.06 N ATOM 1104 CA SER A 602 -5.499 2.353 11.302 1.00 1.12 C ATOM 1105 C SER A 602 -4.175 2.742 10.636 1.00 1.23 C ATOM 1106 O SER A 602 -3.453 1.886 10.121 1.00 1.33 O ATOM 1107 CB SER A 602 -5.583 2.897 12.733 1.00 1.09 C ATOM 1108 OG SER A 602 -4.478 2.483 13.513 1.00 1.51 O ATOM 0 H SER A 602 -4.919 0.328 11.354 1.00 1.06 H new ATOM 0 HA SER A 602 -6.276 2.815 10.693 1.00 1.12 H new ATOM 0 HB2 SER A 602 -5.623 3.986 12.707 1.00 1.09 H new ATOM 0 HB3 SER A 602 -6.507 2.555 13.199 1.00 1.09 H new ATOM 0 HG SER A 602 -4.562 2.848 14.419 1.00 1.51 H new ATOM 1114 N ASP A 603 -3.866 4.042 10.605 1.00 1.29 N ATOM 1115 CA ASP A 603 -2.689 4.578 9.910 1.00 1.45 C ATOM 1116 C ASP A 603 -1.381 3.848 10.256 1.00 1.47 C ATOM 1117 O ASP A 603 -1.152 3.468 11.408 1.00 1.43 O ATOM 1118 CB ASP A 603 -2.576 6.098 10.081 1.00 1.58 C ATOM 1119 CG ASP A 603 -1.867 6.560 11.356 1.00 1.71 C ATOM 1120 OD1 ASP A 603 -2.544 6.711 12.403 1.00 1.79 O ATOM 1121 OD2 ASP A 603 -0.660 6.895 11.276 1.00 3.19 O ATOM 0 H ASP A 603 -4.429 4.758 11.064 1.00 1.29 H new ATOM 0 HA ASP A 603 -2.850 4.380 8.850 1.00 1.45 H new ATOM 0 HB2 ASP A 603 -2.045 6.506 9.221 1.00 1.58 H new ATOM 0 HB3 ASP A 603 -3.579 6.525 10.067 1.00 1.58 H new ATOM 1126 N GLY A 604 -0.561 3.605 9.230 1.00 1.61 N ATOM 1127 CA GLY A 604 0.621 2.740 9.292 1.00 1.72 C ATOM 1128 C GLY A 604 0.384 1.268 8.922 1.00 1.67 C ATOM 1129 O GLY A 604 1.351 0.538 8.692 1.00 1.80 O ATOM 0 H GLY A 604 -0.705 4.016 8.308 1.00 1.61 H new ATOM 0 HA2 GLY A 604 1.382 3.146 8.626 1.00 1.72 H new ATOM 0 HA3 GLY A 604 1.027 2.782 10.303 1.00 1.72 H new ATOM 1133 N SER A 605 -0.872 0.821 8.835 1.00 1.55 N ATOM 1134 CA SER A 605 -1.260 -0.507 8.328 1.00 1.50 C ATOM 1135 C SER A 605 -1.404 -0.518 6.798 1.00 1.43 C ATOM 1136 O SER A 605 -1.510 0.542 6.176 1.00 1.39 O ATOM 1137 CB SER A 605 -2.572 -0.932 8.983 1.00 1.43 C ATOM 1138 OG SER A 605 -2.398 -1.084 10.383 1.00 1.64 O ATOM 0 H SER A 605 -1.672 1.385 9.122 1.00 1.55 H new ATOM 0 HA SER A 605 -0.469 -1.213 8.583 1.00 1.50 H new ATOM 0 HB2 SER A 605 -3.343 -0.188 8.784 1.00 1.43 H new ATOM 0 HB3 SER A 605 -2.916 -1.871 8.549 1.00 1.43 H new ATOM 0 HG SER A 605 -3.272 -1.197 10.811 1.00 1.64 H new ATOM 1144 N TYR A 606 -1.428 -1.700 6.175 1.00 1.42 N ATOM 1145 CA TYR A 606 -1.488 -1.853 4.711 1.00 1.37 C ATOM 1146 C TYR A 606 -2.319 -3.051 4.226 1.00 1.38 C ATOM 1147 O TYR A 606 -2.508 -4.027 4.961 1.00 1.48 O ATOM 1148 CB TYR A 606 -0.074 -1.871 4.121 1.00 1.41 C ATOM 1149 CG TYR A 606 0.778 -3.089 4.417 1.00 1.80 C ATOM 1150 CD1 TYR A 606 1.575 -3.121 5.577 1.00 2.59 C ATOM 1151 CD2 TYR A 606 0.843 -4.148 3.493 1.00 2.83 C ATOM 1152 CE1 TYR A 606 2.442 -4.209 5.810 1.00 3.23 C ATOM 1153 CE2 TYR A 606 1.705 -5.238 3.724 1.00 3.37 C ATOM 1154 CZ TYR A 606 2.503 -5.277 4.889 1.00 3.21 C ATOM 1155 OH TYR A 606 3.326 -6.339 5.105 1.00 4.01 O ATOM 0 H TYR A 606 -1.406 -2.589 6.674 1.00 1.42 H new ATOM 0 HA TYR A 606 -2.025 -0.980 4.339 1.00 1.37 H new ATOM 0 HB2 TYR A 606 -0.157 -1.770 3.039 1.00 1.41 H new ATOM 0 HB3 TYR A 606 0.456 -0.990 4.484 1.00 1.41 H new ATOM 0 HD1 TYR A 606 1.523 -2.311 6.290 1.00 2.59 H new ATOM 0 HD2 TYR A 606 0.230 -4.125 2.604 1.00 2.83 H new ATOM 0 HE1 TYR A 606 3.061 -4.225 6.695 1.00 3.23 H new ATOM 0 HE2 TYR A 606 1.756 -6.046 3.009 1.00 3.37 H new ATOM 0 HH TYR A 606 3.236 -6.978 4.368 1.00 4.01 H new ATOM 1165 N PHE A 607 -2.852 -2.938 3.002 1.00 1.29 N ATOM 1166 CA PHE A 607 -3.887 -3.846 2.464 1.00 1.26 C ATOM 1167 C PHE A 607 -4.079 -3.786 0.927 1.00 1.30 C ATOM 1168 O PHE A 607 -3.407 -3.037 0.219 1.00 1.55 O ATOM 1169 CB PHE A 607 -5.218 -3.572 3.205 1.00 1.58 C ATOM 1170 CG PHE A 607 -5.751 -2.147 3.305 1.00 1.10 C ATOM 1171 CD1 PHE A 607 -5.245 -1.076 2.536 1.00 1.85 C ATOM 1172 CD2 PHE A 607 -6.802 -1.905 4.209 1.00 2.19 C ATOM 1173 CE1 PHE A 607 -5.772 0.218 2.683 1.00 2.12 C ATOM 1174 CE2 PHE A 607 -7.337 -0.613 4.344 1.00 1.92 C ATOM 1175 CZ PHE A 607 -6.822 0.447 3.584 1.00 1.08 C ATOM 0 H PHE A 607 -2.577 -2.207 2.346 1.00 1.29 H new ATOM 0 HA PHE A 607 -3.540 -4.863 2.646 1.00 1.26 H new ATOM 0 HB2 PHE A 607 -5.988 -4.174 2.723 1.00 1.58 H new ATOM 0 HB3 PHE A 607 -5.108 -3.950 4.221 1.00 1.58 H new ATOM 0 HD1 PHE A 607 -4.447 -1.253 1.830 1.00 1.85 H new ATOM 0 HD2 PHE A 607 -7.199 -2.716 4.802 1.00 2.19 H new ATOM 0 HE1 PHE A 607 -5.369 1.035 2.103 1.00 2.12 H new ATOM 0 HE2 PHE A 607 -8.148 -0.436 5.035 1.00 1.92 H new ATOM 0 HZ PHE A 607 -7.234 1.439 3.693 1.00 1.08 H new ATOM 1185 N GLY A 608 -5.017 -4.578 0.395 1.00 1.48 N ATOM 1186 CA GLY A 608 -5.518 -4.476 -0.985 1.00 2.07 C ATOM 1187 C GLY A 608 -4.676 -5.161 -2.070 1.00 2.64 C ATOM 1188 O GLY A 608 -5.008 -5.067 -3.249 1.00 4.12 O ATOM 0 H GLY A 608 -5.462 -5.328 0.924 1.00 1.48 H new ATOM 0 HA2 GLY A 608 -6.523 -4.898 -1.016 1.00 2.07 H new ATOM 0 HA3 GLY A 608 -5.608 -3.420 -1.239 1.00 2.07 H new ATOM 1192 N GLU A 609 -3.581 -5.823 -1.696 1.00 2.21 N ATOM 1193 CA GLU A 609 -2.640 -6.498 -2.602 1.00 2.99 C ATOM 1194 C GLU A 609 -1.799 -7.537 -1.821 1.00 1.97 C ATOM 1195 O GLU A 609 -1.999 -7.718 -0.614 1.00 2.61 O ATOM 1196 CB GLU A 609 -1.768 -5.424 -3.297 1.00 4.76 C ATOM 1197 CG GLU A 609 -1.797 -5.500 -4.837 1.00 6.35 C ATOM 1198 CD GLU A 609 -1.128 -6.758 -5.399 1.00 7.09 C ATOM 1199 OE1 GLU A 609 -0.048 -7.131 -4.889 1.00 7.44 O ATOM 1200 OE2 GLU A 609 -1.674 -7.411 -6.322 1.00 7.79 O ATOM 0 H GLU A 609 -3.311 -5.909 -0.716 1.00 2.21 H new ATOM 0 HA GLU A 609 -3.176 -7.051 -3.373 1.00 2.99 H new ATOM 0 HB2 GLU A 609 -2.107 -4.436 -2.985 1.00 4.76 H new ATOM 0 HB3 GLU A 609 -0.738 -5.530 -2.957 1.00 4.76 H new ATOM 0 HG2 GLU A 609 -2.833 -5.467 -5.175 1.00 6.35 H new ATOM 0 HG3 GLU A 609 -1.300 -4.620 -5.246 1.00 6.35 H new ATOM 1207 N ILE A 610 -0.858 -8.230 -2.472 1.00 2.06 N ATOM 1208 CA ILE A 610 0.086 -9.168 -1.835 1.00 2.34 C ATOM 1209 C ILE A 610 1.538 -8.719 -2.040 1.00 2.24 C ATOM 1210 O ILE A 610 2.198 -8.396 -1.049 1.00 3.36 O ATOM 1211 CB ILE A 610 -0.182 -10.631 -2.271 1.00 3.52 C ATOM 1212 CG1 ILE A 610 -1.548 -11.085 -1.723 1.00 4.86 C ATOM 1213 CG2 ILE A 610 0.933 -11.584 -1.787 1.00 4.27 C ATOM 1214 CD1 ILE A 610 -1.994 -12.487 -2.145 1.00 6.14 C ATOM 0 H ILE A 610 -0.725 -8.156 -3.481 1.00 2.06 H new ATOM 0 HA ILE A 610 -0.084 -9.148 -0.759 1.00 2.34 H new ATOM 0 HB ILE A 610 -0.191 -10.668 -3.360 1.00 3.52 H new ATOM 0 HG12 ILE A 610 -1.514 -11.046 -0.634 1.00 4.86 H new ATOM 0 HG13 ILE A 610 -2.305 -10.370 -2.045 1.00 4.86 H new ATOM 0 HG21 ILE A 610 0.710 -12.600 -2.112 1.00 4.27 H new ATOM 0 HG22 ILE A 610 1.888 -11.270 -2.208 1.00 4.27 H new ATOM 0 HG23 ILE A 610 0.989 -11.555 -0.699 1.00 4.27 H new ATOM 0 HD11 ILE A 610 -2.967 -12.707 -1.705 1.00 6.14 H new ATOM 0 HD12 ILE A 610 -2.068 -12.534 -3.231 1.00 6.14 H new ATOM 0 HD13 ILE A 610 -1.265 -13.220 -1.799 1.00 6.14 H new ATOM 1226 N CYS A 611 2.054 -8.667 -3.275 1.00 2.09 N ATOM 1227 CA CYS A 611 3.479 -8.407 -3.517 1.00 2.76 C ATOM 1228 C CYS A 611 3.805 -7.859 -4.920 1.00 1.84 C ATOM 1229 O CYS A 611 3.181 -8.222 -5.911 1.00 2.02 O ATOM 1230 CB CYS A 611 4.241 -9.717 -3.264 1.00 4.75 C ATOM 1231 SG CYS A 611 6.033 -9.447 -3.231 1.00 6.31 S ATOM 0 H CYS A 611 1.504 -8.802 -4.124 1.00 2.09 H new ATOM 0 HA CYS A 611 3.788 -7.615 -2.835 1.00 2.76 H new ATOM 0 HB2 CYS A 611 3.920 -10.149 -2.316 1.00 4.75 H new ATOM 0 HB3 CYS A 611 3.995 -10.439 -4.043 1.00 4.75 H new ATOM 0 HG CYS A 611 6.638 -10.577 -3.013 1.00 6.31 H new ATOM 1237 N LEU A 612 4.896 -7.093 -5.017 1.00 1.94 N ATOM 1238 CA LEU A 612 5.584 -6.654 -6.250 1.00 1.60 C ATOM 1239 C LEU A 612 6.099 -7.804 -7.142 1.00 1.67 C ATOM 1240 O LEU A 612 6.626 -7.525 -8.222 1.00 1.86 O ATOM 1241 CB LEU A 612 6.770 -5.773 -5.785 1.00 1.95 C ATOM 1242 CG LEU A 612 6.302 -4.396 -5.286 1.00 1.44 C ATOM 1243 CD1 LEU A 612 6.997 -3.903 -4.026 1.00 1.93 C ATOM 1244 CD2 LEU A 612 6.512 -3.323 -6.347 1.00 1.23 C ATOM 0 H LEU A 612 5.359 -6.735 -4.182 1.00 1.94 H new ATOM 0 HA LEU A 612 4.869 -6.121 -6.877 1.00 1.60 H new ATOM 0 HB2 LEU A 612 7.310 -6.283 -4.988 1.00 1.95 H new ATOM 0 HB3 LEU A 612 7.470 -5.641 -6.610 1.00 1.95 H new ATOM 0 HG LEU A 612 5.247 -4.552 -5.060 1.00 1.44 H new ATOM 0 HD11 LEU A 612 6.601 -2.925 -3.751 1.00 1.93 H new ATOM 0 HD12 LEU A 612 6.820 -4.608 -3.213 1.00 1.93 H new ATOM 0 HD13 LEU A 612 8.068 -3.822 -4.209 1.00 1.93 H new ATOM 0 HD21 LEU A 612 6.171 -2.361 -5.964 1.00 1.23 H new ATOM 0 HD22 LEU A 612 7.571 -3.260 -6.596 1.00 1.23 H new ATOM 0 HD23 LEU A 612 5.944 -3.579 -7.241 1.00 1.23 H new ATOM 1256 N LEU A 613 5.988 -9.060 -6.688 1.00 1.77 N ATOM 1257 CA LEU A 613 6.416 -10.279 -7.388 1.00 2.05 C ATOM 1258 C LEU A 613 5.302 -11.336 -7.539 1.00 1.93 C ATOM 1259 O LEU A 613 5.513 -12.327 -8.244 1.00 2.30 O ATOM 1260 CB LEU A 613 7.667 -10.873 -6.703 1.00 2.52 C ATOM 1261 CG LEU A 613 8.862 -9.903 -6.700 1.00 3.10 C ATOM 1262 CD1 LEU A 613 8.991 -9.144 -5.376 1.00 3.36 C ATOM 1263 CD2 LEU A 613 10.186 -10.638 -6.929 1.00 4.06 C ATOM 0 H LEU A 613 5.577 -9.263 -5.777 1.00 1.77 H new ATOM 0 HA LEU A 613 6.668 -9.982 -8.406 1.00 2.05 H new ATOM 0 HB2 LEU A 613 7.420 -11.142 -5.676 1.00 2.52 H new ATOM 0 HB3 LEU A 613 7.953 -11.793 -7.213 1.00 2.52 H new ATOM 0 HG LEU A 613 8.666 -9.203 -7.512 1.00 3.10 H new ATOM 0 HD11 LEU A 613 9.848 -8.473 -5.424 1.00 3.36 H new ATOM 0 HD12 LEU A 613 8.085 -8.564 -5.199 1.00 3.36 H new ATOM 0 HD13 LEU A 613 9.131 -9.855 -4.561 1.00 3.36 H new ATOM 0 HD21 LEU A 613 11.007 -9.921 -6.920 1.00 4.06 H new ATOM 0 HD22 LEU A 613 10.337 -11.371 -6.137 1.00 4.06 H new ATOM 0 HD23 LEU A 613 10.158 -11.146 -7.893 1.00 4.06 H new ATOM 1275 N THR A 614 4.116 -11.114 -6.958 1.00 1.61 N ATOM 1276 CA THR A 614 2.912 -11.950 -7.212 1.00 1.65 C ATOM 1277 C THR A 614 1.695 -11.161 -7.681 1.00 1.63 C ATOM 1278 O THR A 614 1.399 -10.069 -7.202 1.00 2.11 O ATOM 1279 CB THR A 614 2.517 -12.884 -6.053 1.00 2.16 C ATOM 1280 OG1 THR A 614 1.844 -14.002 -6.594 1.00 3.17 O ATOM 1281 CG2 THR A 614 1.582 -12.293 -5.007 1.00 2.53 C ATOM 0 H THR A 614 3.953 -10.354 -6.298 1.00 1.61 H new ATOM 0 HA THR A 614 3.241 -12.583 -8.036 1.00 1.65 H new ATOM 0 HB THR A 614 3.456 -13.113 -5.548 1.00 2.16 H new ATOM 0 HG1 THR A 614 1.586 -14.610 -5.870 1.00 3.17 H new ATOM 0 HG21 THR A 614 1.374 -13.040 -4.241 1.00 2.53 H new ATOM 0 HG22 THR A 614 2.053 -11.424 -4.547 1.00 2.53 H new ATOM 0 HG23 THR A 614 0.649 -11.991 -5.482 1.00 2.53 H new ATOM 1289 N ARG A 615 0.938 -11.775 -8.589 1.00 1.87 N ATOM 1290 CA ARG A 615 -0.178 -11.155 -9.327 1.00 2.28 C ATOM 1291 C ARG A 615 -1.408 -12.063 -9.365 1.00 2.08 C ATOM 1292 O ARG A 615 -1.279 -13.259 -9.616 1.00 2.49 O ATOM 1293 CB ARG A 615 0.300 -10.737 -10.736 1.00 3.35 C ATOM 1294 CG ARG A 615 0.683 -11.926 -11.639 1.00 3.46 C ATOM 1295 CD ARG A 615 1.280 -11.493 -12.983 1.00 4.47 C ATOM 1296 NE ARG A 615 1.738 -12.682 -13.725 1.00 4.79 N ATOM 1297 CZ ARG A 615 1.150 -13.293 -14.734 1.00 5.74 C ATOM 1298 NH1 ARG A 615 0.135 -12.809 -15.383 1.00 6.57 N ATOM 1299 NH2 ARG A 615 1.570 -14.452 -15.141 1.00 6.46 N ATOM 0 H ARG A 615 1.084 -12.751 -8.845 1.00 1.87 H new ATOM 0 HA ARG A 615 -0.495 -10.255 -8.799 1.00 2.28 H new ATOM 0 HB2 ARG A 615 -0.489 -10.163 -11.222 1.00 3.35 H new ATOM 0 HB3 ARG A 615 1.161 -10.076 -10.637 1.00 3.35 H new ATOM 0 HG2 ARG A 615 1.402 -12.556 -11.115 1.00 3.46 H new ATOM 0 HG3 ARG A 615 -0.202 -12.536 -11.821 1.00 3.46 H new ATOM 0 HD2 ARG A 615 0.535 -10.952 -13.566 1.00 4.47 H new ATOM 0 HD3 ARG A 615 2.114 -10.810 -12.819 1.00 4.47 H new ATOM 0 HE ARG A 615 2.624 -13.083 -13.418 1.00 4.79 H new ATOM 0 HH11 ARG A 615 -0.254 -11.903 -15.120 1.00 6.57 H new ATOM 0 HH12 ARG A 615 -0.274 -13.334 -16.156 1.00 6.57 H new ATOM 0 HH21 ARG A 615 2.362 -14.898 -14.679 1.00 6.46 H new ATOM 0 HH22 ARG A 615 1.108 -14.916 -15.923 1.00 6.46 H new ATOM 1313 N GLY A 616 -2.589 -11.483 -9.170 1.00 2.19 N ATOM 1314 CA GLY A 616 -3.879 -12.181 -9.217 1.00 2.17 C ATOM 1315 C GLY A 616 -5.065 -11.278 -8.854 1.00 2.19 C ATOM 1316 O GLY A 616 -4.875 -10.180 -8.324 1.00 2.58 O ATOM 0 H GLY A 616 -2.682 -10.487 -8.969 1.00 2.19 H new ATOM 0 HA2 GLY A 616 -4.031 -12.585 -10.218 1.00 2.17 H new ATOM 0 HA3 GLY A 616 -3.852 -13.028 -8.532 1.00 2.17 H new ATOM 1320 N ARG A 617 -6.293 -11.738 -9.121 1.00 2.13 N ATOM 1321 CA ARG A 617 -7.546 -11.117 -8.652 1.00 2.24 C ATOM 1322 C ARG A 617 -7.582 -11.096 -7.121 1.00 2.30 C ATOM 1323 O ARG A 617 -7.655 -12.157 -6.495 1.00 2.57 O ATOM 1324 CB ARG A 617 -8.750 -11.917 -9.190 1.00 2.38 C ATOM 1325 CG ARG A 617 -9.013 -11.749 -10.691 1.00 2.50 C ATOM 1326 CD ARG A 617 -9.682 -10.411 -11.040 1.00 2.67 C ATOM 1327 NE ARG A 617 -11.157 -10.481 -10.927 1.00 3.46 N ATOM 1328 CZ ARG A 617 -12.037 -10.094 -11.841 1.00 4.19 C ATOM 1329 NH1 ARG A 617 -11.690 -9.575 -12.980 1.00 4.61 N ATOM 1330 NH2 ARG A 617 -13.315 -10.215 -11.634 1.00 5.10 N ATOM 0 H ARG A 617 -6.451 -12.574 -9.684 1.00 2.13 H new ATOM 0 HA ARG A 617 -7.596 -10.092 -9.020 1.00 2.24 H new ATOM 0 HB2 ARG A 617 -8.589 -12.974 -8.979 1.00 2.38 H new ATOM 0 HB3 ARG A 617 -9.643 -11.615 -8.643 1.00 2.38 H new ATOM 0 HG2 ARG A 617 -8.069 -11.828 -11.230 1.00 2.50 H new ATOM 0 HG3 ARG A 617 -9.646 -12.566 -11.036 1.00 2.50 H new ATOM 0 HD2 ARG A 617 -9.304 -9.633 -10.376 1.00 2.67 H new ATOM 0 HD3 ARG A 617 -9.410 -10.124 -12.056 1.00 2.67 H new ATOM 0 HE ARG A 617 -11.534 -10.865 -10.060 1.00 3.46 H new ATOM 0 HH11 ARG A 617 -10.703 -9.450 -13.204 1.00 4.61 H new ATOM 0 HH12 ARG A 617 -12.405 -9.293 -13.651 1.00 4.61 H new ATOM 0 HH21 ARG A 617 -13.654 -10.613 -10.758 1.00 5.10 H new ATOM 0 HH22 ARG A 617 -13.978 -9.912 -12.347 1.00 5.10 H new ATOM 1344 N ARG A 618 -7.557 -9.905 -6.514 1.00 2.27 N ATOM 1345 CA ARG A 618 -7.527 -9.734 -5.050 1.00 2.33 C ATOM 1346 C ARG A 618 -8.933 -9.510 -4.497 1.00 2.29 C ATOM 1347 O ARG A 618 -9.631 -8.599 -4.942 1.00 2.69 O ATOM 1348 CB ARG A 618 -6.565 -8.601 -4.645 1.00 2.73 C ATOM 1349 CG ARG A 618 -5.081 -8.796 -5.022 1.00 3.19 C ATOM 1350 CD ARG A 618 -4.289 -9.740 -4.101 1.00 2.89 C ATOM 1351 NE ARG A 618 -4.715 -11.147 -4.207 1.00 3.58 N ATOM 1352 CZ ARG A 618 -4.201 -12.107 -4.956 1.00 4.69 C ATOM 1353 NH1 ARG A 618 -3.156 -11.954 -5.716 1.00 5.45 N ATOM 1354 NH2 ARG A 618 -4.754 -13.282 -4.933 1.00 5.62 N ATOM 0 H ARG A 618 -7.557 -9.023 -7.026 1.00 2.27 H new ATOM 0 HA ARG A 618 -7.147 -10.655 -4.608 1.00 2.33 H new ATOM 0 HB2 ARG A 618 -6.915 -7.675 -5.102 1.00 2.73 H new ATOM 0 HB3 ARG A 618 -6.629 -8.468 -3.565 1.00 2.73 H new ATOM 0 HG2 ARG A 618 -5.029 -9.180 -6.041 1.00 3.19 H new ATOM 0 HG3 ARG A 618 -4.592 -7.822 -5.024 1.00 3.19 H new ATOM 0 HD2 ARG A 618 -3.229 -9.669 -4.344 1.00 2.89 H new ATOM 0 HD3 ARG A 618 -4.403 -9.410 -3.069 1.00 2.89 H new ATOM 0 HE ARG A 618 -5.510 -11.415 -3.627 1.00 3.58 H new ATOM 0 HH11 ARG A 618 -2.683 -11.051 -5.758 1.00 5.45 H new ATOM 0 HH12 ARG A 618 -2.809 -12.737 -6.270 1.00 5.45 H new ATOM 0 HH21 ARG A 618 -5.570 -13.450 -4.344 1.00 5.62 H new ATOM 0 HH22 ARG A 618 -4.373 -14.036 -5.504 1.00 5.62 H new ATOM 1368 N THR A 619 -9.339 -10.312 -3.513 1.00 2.07 N ATOM 1369 CA THR A 619 -10.689 -10.283 -2.913 1.00 2.04 C ATOM 1370 C THR A 619 -10.598 -9.977 -1.415 1.00 1.80 C ATOM 1371 O THR A 619 -9.871 -10.658 -0.689 1.00 1.83 O ATOM 1372 CB THR A 619 -11.434 -11.611 -3.146 1.00 2.31 C ATOM 1373 OG1 THR A 619 -11.307 -12.068 -4.478 1.00 3.33 O ATOM 1374 CG2 THR A 619 -12.930 -11.500 -2.858 1.00 3.33 C ATOM 0 H THR A 619 -8.732 -11.018 -3.096 1.00 2.07 H new ATOM 0 HA THR A 619 -11.257 -9.491 -3.401 1.00 2.04 H new ATOM 0 HB THR A 619 -10.968 -12.313 -2.455 1.00 2.31 H new ATOM 0 HG1 THR A 619 -11.974 -11.623 -5.041 1.00 3.33 H new ATOM 0 HG21 THR A 619 -13.408 -12.463 -3.038 1.00 3.33 H new ATOM 0 HG22 THR A 619 -13.080 -11.209 -1.818 1.00 3.33 H new ATOM 0 HG23 THR A 619 -13.372 -10.748 -3.512 1.00 3.33 H new ATOM 1382 N ALA A 620 -11.329 -8.962 -0.949 1.00 1.71 N ATOM 1383 CA ALA A 620 -11.303 -8.435 0.422 1.00 1.47 C ATOM 1384 C ALA A 620 -12.665 -7.827 0.833 1.00 1.47 C ATOM 1385 O ALA A 620 -13.604 -7.796 0.028 1.00 2.05 O ATOM 1386 CB ALA A 620 -10.178 -7.396 0.494 1.00 1.68 C ATOM 0 H ALA A 620 -11.988 -8.459 -1.544 1.00 1.71 H new ATOM 0 HA ALA A 620 -11.116 -9.244 1.128 1.00 1.47 H new ATOM 0 HB1 ALA A 620 -10.129 -6.982 1.501 1.00 1.68 H new ATOM 0 HB2 ALA A 620 -9.228 -7.871 0.250 1.00 1.68 H new ATOM 0 HB3 ALA A 620 -10.376 -6.595 -0.218 1.00 1.68 H new ATOM 1392 N SER A 621 -12.791 -7.358 2.080 1.00 1.12 N ATOM 1393 CA SER A 621 -14.026 -6.788 2.647 1.00 1.22 C ATOM 1394 C SER A 621 -13.704 -5.755 3.739 1.00 1.10 C ATOM 1395 O SER A 621 -13.409 -6.116 4.877 1.00 1.08 O ATOM 1396 CB SER A 621 -14.875 -7.934 3.214 1.00 1.36 C ATOM 1397 OG SER A 621 -16.109 -7.463 3.721 1.00 2.77 O ATOM 0 H SER A 621 -12.017 -7.363 2.744 1.00 1.12 H new ATOM 0 HA SER A 621 -14.582 -6.269 1.866 1.00 1.22 H new ATOM 0 HB2 SER A 621 -15.059 -8.672 2.434 1.00 1.36 H new ATOM 0 HB3 SER A 621 -14.323 -8.439 4.007 1.00 1.36 H new ATOM 0 HG SER A 621 -16.627 -8.217 4.073 1.00 2.77 H new ATOM 1403 N VAL A 622 -13.675 -4.458 3.403 1.00 1.01 N ATOM 1404 CA VAL A 622 -13.369 -3.385 4.374 1.00 0.92 C ATOM 1405 C VAL A 622 -13.978 -2.019 3.998 1.00 0.85 C ATOM 1406 O VAL A 622 -14.042 -1.661 2.819 1.00 0.85 O ATOM 1407 CB VAL A 622 -11.842 -3.337 4.632 1.00 0.93 C ATOM 1408 CG1 VAL A 622 -10.993 -3.311 3.363 1.00 0.96 C ATOM 1409 CG2 VAL A 622 -11.405 -2.181 5.530 1.00 0.85 C ATOM 0 H VAL A 622 -13.861 -4.119 2.459 1.00 1.01 H new ATOM 0 HA VAL A 622 -13.861 -3.630 5.315 1.00 0.92 H new ATOM 0 HB VAL A 622 -11.660 -4.278 5.151 1.00 0.93 H new ATOM 0 HG11 VAL A 622 -9.937 -3.278 3.632 1.00 0.96 H new ATOM 0 HG12 VAL A 622 -11.190 -4.208 2.775 1.00 0.96 H new ATOM 0 HG13 VAL A 622 -11.245 -2.429 2.774 1.00 0.96 H new ATOM 0 HG21 VAL A 622 -10.324 -2.214 5.665 1.00 0.85 H new ATOM 0 HG22 VAL A 622 -11.685 -1.235 5.067 1.00 0.85 H new ATOM 0 HG23 VAL A 622 -11.894 -2.269 6.500 1.00 0.85 H new ATOM 1419 N ARG A 623 -14.403 -1.237 5.006 1.00 0.79 N ATOM 1420 CA ARG A 623 -14.949 0.131 4.879 1.00 0.71 C ATOM 1421 C ARG A 623 -14.320 1.106 5.882 1.00 0.65 C ATOM 1422 O ARG A 623 -13.686 0.697 6.850 1.00 0.62 O ATOM 1423 CB ARG A 623 -16.488 0.089 4.967 1.00 0.82 C ATOM 1424 CG ARG A 623 -17.032 -0.091 6.392 1.00 0.96 C ATOM 1425 CD ARG A 623 -18.497 -0.552 6.428 1.00 1.55 C ATOM 1426 NE ARG A 623 -19.406 0.363 5.710 1.00 2.49 N ATOM 1427 CZ ARG A 623 -20.726 0.373 5.719 1.00 3.40 C ATOM 1428 NH1 ARG A 623 -21.439 -0.462 6.418 1.00 3.54 N ATOM 1429 NH2 ARG A 623 -21.358 1.241 4.990 1.00 4.58 N ATOM 0 H ARG A 623 -14.375 -1.553 5.975 1.00 0.79 H new ATOM 0 HA ARG A 623 -14.680 0.521 3.897 1.00 0.71 H new ATOM 0 HB2 ARG A 623 -16.890 1.013 4.551 1.00 0.82 H new ATOM 0 HB3 ARG A 623 -16.854 -0.727 4.344 1.00 0.82 H new ATOM 0 HG2 ARG A 623 -16.416 -0.819 6.920 1.00 0.96 H new ATOM 0 HG3 ARG A 623 -16.942 0.853 6.930 1.00 0.96 H new ATOM 0 HD2 ARG A 623 -18.570 -1.547 5.989 1.00 1.55 H new ATOM 0 HD3 ARG A 623 -18.820 -0.637 7.465 1.00 1.55 H new ATOM 0 HE ARG A 623 -18.958 1.077 5.135 1.00 2.49 H new ATOM 0 HH11 ARG A 623 -20.979 -1.167 6.994 1.00 3.54 H new ATOM 0 HH12 ARG A 623 -22.457 -0.411 6.389 1.00 3.54 H new ATOM 0 HH21 ARG A 623 -20.835 1.905 4.419 1.00 4.58 H new ATOM 0 HH22 ARG A 623 -22.378 1.259 4.988 1.00 4.58 H new ATOM 1443 N ALA A 624 -14.450 2.407 5.654 1.00 0.69 N ATOM 1444 CA ALA A 624 -13.867 3.417 6.538 1.00 0.73 C ATOM 1445 C ALA A 624 -14.657 3.585 7.860 1.00 0.81 C ATOM 1446 O ALA A 624 -15.888 3.635 7.858 1.00 0.92 O ATOM 1447 CB ALA A 624 -13.721 4.719 5.750 1.00 0.88 C ATOM 0 H ALA A 624 -14.958 2.793 4.858 1.00 0.69 H new ATOM 0 HA ALA A 624 -12.879 3.089 6.861 1.00 0.73 H new ATOM 0 HB1 ALA A 624 -13.288 5.486 6.392 1.00 0.88 H new ATOM 0 HB2 ALA A 624 -13.070 4.554 4.892 1.00 0.88 H new ATOM 0 HB3 ALA A 624 -14.701 5.047 5.404 1.00 0.88 H new ATOM 1453 N ASP A 625 -13.959 3.727 8.995 1.00 0.82 N ATOM 1454 CA ASP A 625 -14.565 4.041 10.312 1.00 0.95 C ATOM 1455 C ASP A 625 -14.974 5.519 10.432 1.00 0.99 C ATOM 1456 O ASP A 625 -15.714 5.936 11.327 1.00 1.24 O ATOM 1457 CB ASP A 625 -13.517 3.758 11.401 1.00 1.04 C ATOM 1458 CG ASP A 625 -14.028 3.924 12.838 1.00 1.77 C ATOM 1459 OD1 ASP A 625 -15.048 3.310 13.237 1.00 1.97 O ATOM 1460 OD2 ASP A 625 -13.399 4.694 13.600 1.00 3.29 O ATOM 0 H ASP A 625 -12.945 3.627 9.033 1.00 0.82 H new ATOM 0 HA ASP A 625 -15.459 3.428 10.422 1.00 0.95 H new ATOM 0 HB2 ASP A 625 -13.148 2.740 11.276 1.00 1.04 H new ATOM 0 HB3 ASP A 625 -12.668 4.425 11.252 1.00 1.04 H new ATOM 1465 N THR A 626 -14.367 6.325 9.569 1.00 0.83 N ATOM 1466 CA THR A 626 -14.150 7.769 9.720 1.00 0.92 C ATOM 1467 C THR A 626 -13.653 8.349 8.381 1.00 0.88 C ATOM 1468 O THR A 626 -13.496 7.600 7.419 1.00 0.75 O ATOM 1469 CB THR A 626 -13.133 7.988 10.861 1.00 1.00 C ATOM 1470 OG1 THR A 626 -12.921 9.360 11.106 1.00 1.14 O ATOM 1471 CG2 THR A 626 -11.790 7.289 10.630 1.00 0.95 C ATOM 0 H THR A 626 -13.988 5.972 8.690 1.00 0.83 H new ATOM 0 HA THR A 626 -15.075 8.286 9.978 1.00 0.92 H new ATOM 0 HB THR A 626 -13.585 7.528 11.740 1.00 1.00 H new ATOM 0 HG1 THR A 626 -12.274 9.466 11.834 1.00 1.14 H new ATOM 0 HG21 THR A 626 -11.127 7.488 11.472 1.00 0.95 H new ATOM 0 HG22 THR A 626 -11.950 6.215 10.540 1.00 0.95 H new ATOM 0 HG23 THR A 626 -11.336 7.667 9.714 1.00 0.95 H new ATOM 1479 N TYR A 627 -13.379 9.654 8.283 1.00 1.07 N ATOM 1480 CA TYR A 627 -12.574 10.182 7.175 1.00 1.21 C ATOM 1481 C TYR A 627 -11.144 9.622 7.279 1.00 1.23 C ATOM 1482 O TYR A 627 -10.515 9.690 8.341 1.00 1.49 O ATOM 1483 CB TYR A 627 -12.633 11.718 7.152 1.00 1.46 C ATOM 1484 CG TYR A 627 -11.468 12.433 6.480 1.00 1.97 C ATOM 1485 CD1 TYR A 627 -10.351 12.787 7.266 1.00 3.52 C ATOM 1486 CD2 TYR A 627 -11.514 12.805 5.115 1.00 2.13 C ATOM 1487 CE1 TYR A 627 -9.301 13.546 6.716 1.00 4.00 C ATOM 1488 CE2 TYR A 627 -10.474 13.591 4.575 1.00 2.55 C ATOM 1489 CZ TYR A 627 -9.384 13.982 5.380 1.00 3.06 C ATOM 1490 OH TYR A 627 -8.449 14.825 4.873 1.00 3.55 O ATOM 0 H TYR A 627 -13.698 10.358 8.949 1.00 1.07 H new ATOM 0 HA TYR A 627 -12.980 9.855 6.218 1.00 1.21 H new ATOM 0 HB2 TYR A 627 -13.553 12.017 6.649 1.00 1.46 H new ATOM 0 HB3 TYR A 627 -12.703 12.072 8.180 1.00 1.46 H new ATOM 0 HD1 TYR A 627 -10.301 12.473 8.298 1.00 3.52 H new ATOM 0 HD2 TYR A 627 -12.338 12.490 4.492 1.00 2.13 H new ATOM 0 HE1 TYR A 627 -8.437 13.792 7.315 1.00 4.00 H new ATOM 0 HE2 TYR A 627 -10.513 13.895 3.539 1.00 2.55 H new ATOM 0 HH TYR A 627 -8.660 15.022 3.936 1.00 3.55 H new ATOM 1500 N CYS A 628 -10.656 9.025 6.190 1.00 1.09 N ATOM 1501 CA CYS A 628 -9.377 8.323 6.138 1.00 1.04 C ATOM 1502 C CYS A 628 -8.635 8.622 4.829 1.00 1.03 C ATOM 1503 O CYS A 628 -9.173 8.415 3.735 1.00 1.04 O ATOM 1504 CB CYS A 628 -9.639 6.817 6.314 1.00 0.93 C ATOM 1505 SG CYS A 628 -8.094 5.927 6.627 1.00 2.81 S ATOM 0 H CYS A 628 -11.153 9.017 5.299 1.00 1.09 H new ATOM 0 HA CYS A 628 -8.732 8.671 6.945 1.00 1.04 H new ATOM 0 HB2 CYS A 628 -10.330 6.658 7.142 1.00 0.93 H new ATOM 0 HB3 CYS A 628 -10.118 6.420 5.419 1.00 0.93 H new ATOM 0 HG CYS A 628 -8.345 4.660 6.774 1.00 2.81 H new ATOM 1511 N ARG A 629 -7.379 9.074 4.941 1.00 1.10 N ATOM 1512 CA ARG A 629 -6.449 9.206 3.816 1.00 1.22 C ATOM 1513 C ARG A 629 -5.659 7.922 3.606 1.00 1.21 C ATOM 1514 O ARG A 629 -5.041 7.383 4.531 1.00 1.27 O ATOM 1515 CB ARG A 629 -5.476 10.379 3.987 1.00 1.53 C ATOM 1516 CG ARG A 629 -6.144 11.744 4.201 1.00 1.42 C ATOM 1517 CD ARG A 629 -5.464 12.812 3.330 1.00 1.90 C ATOM 1518 NE ARG A 629 -5.785 14.176 3.798 1.00 1.65 N ATOM 1519 CZ ARG A 629 -5.423 15.328 3.259 1.00 2.47 C ATOM 1520 NH1 ARG A 629 -4.602 15.430 2.253 1.00 3.67 N ATOM 1521 NH2 ARG A 629 -5.910 16.434 3.740 1.00 3.04 N ATOM 0 H ARG A 629 -6.975 9.363 5.832 1.00 1.10 H new ATOM 0 HA ARG A 629 -7.064 9.406 2.938 1.00 1.22 H new ATOM 0 HB2 ARG A 629 -4.825 10.172 4.836 1.00 1.53 H new ATOM 0 HB3 ARG A 629 -4.839 10.436 3.104 1.00 1.53 H new ATOM 0 HG2 ARG A 629 -7.203 11.681 3.951 1.00 1.42 H new ATOM 0 HG3 ARG A 629 -6.080 12.027 5.252 1.00 1.42 H new ATOM 0 HD2 ARG A 629 -4.384 12.665 3.348 1.00 1.90 H new ATOM 0 HD3 ARG A 629 -5.784 12.697 2.294 1.00 1.90 H new ATOM 0 HE ARG A 629 -6.356 14.237 4.641 1.00 1.65 H new ATOM 0 HH11 ARG A 629 -4.199 14.591 1.836 1.00 3.67 H new ATOM 0 HH12 ARG A 629 -4.362 16.349 1.882 1.00 3.67 H new ATOM 0 HH21 ARG A 629 -6.563 16.406 4.523 1.00 3.04 H new ATOM 0 HH22 ARG A 629 -5.639 17.330 3.334 1.00 3.04 H new ATOM 1535 N LEU A 630 -5.623 7.491 2.356 1.00 1.20 N ATOM 1536 CA LEU A 630 -4.859 6.340 1.882 1.00 1.21 C ATOM 1537 C LEU A 630 -3.805 6.783 0.856 1.00 1.26 C ATOM 1538 O LEU A 630 -3.946 7.799 0.168 1.00 1.34 O ATOM 1539 CB LEU A 630 -5.797 5.270 1.274 1.00 1.16 C ATOM 1540 CG LEU A 630 -6.939 4.742 2.168 1.00 1.18 C ATOM 1541 CD1 LEU A 630 -7.669 3.604 1.447 1.00 1.11 C ATOM 1542 CD2 LEU A 630 -6.454 4.194 3.510 1.00 1.35 C ATOM 0 H LEU A 630 -6.146 7.950 1.610 1.00 1.20 H new ATOM 0 HA LEU A 630 -4.346 5.894 2.734 1.00 1.21 H new ATOM 0 HB2 LEU A 630 -6.241 5.685 0.369 1.00 1.16 H new ATOM 0 HB3 LEU A 630 -5.187 4.420 0.969 1.00 1.16 H new ATOM 0 HG LEU A 630 -7.591 5.594 2.361 1.00 1.18 H new ATOM 0 HD11 LEU A 630 -8.475 3.231 2.079 1.00 1.11 H new ATOM 0 HD12 LEU A 630 -8.084 3.974 0.509 1.00 1.11 H new ATOM 0 HD13 LEU A 630 -6.968 2.796 1.239 1.00 1.11 H new ATOM 0 HD21 LEU A 630 -7.307 3.840 4.088 1.00 1.35 H new ATOM 0 HD22 LEU A 630 -5.764 3.368 3.338 1.00 1.35 H new ATOM 0 HD23 LEU A 630 -5.944 4.983 4.062 1.00 1.35 H new ATOM 1554 N TYR A 631 -2.779 5.956 0.703 1.00 1.28 N ATOM 1555 CA TYR A 631 -1.957 5.890 -0.504 1.00 1.41 C ATOM 1556 C TYR A 631 -2.492 4.741 -1.359 1.00 1.29 C ATOM 1557 O TYR A 631 -2.937 3.726 -0.810 1.00 1.34 O ATOM 1558 CB TYR A 631 -0.472 5.771 -0.099 1.00 1.89 C ATOM 1559 CG TYR A 631 0.495 4.951 -0.954 1.00 3.30 C ATOM 1560 CD1 TYR A 631 0.287 3.578 -1.217 1.00 4.84 C ATOM 1561 CD2 TYR A 631 1.725 5.526 -1.323 1.00 3.93 C ATOM 1562 CE1 TYR A 631 1.256 2.815 -1.893 1.00 6.35 C ATOM 1563 CE2 TYR A 631 2.717 4.763 -1.970 1.00 5.44 C ATOM 1564 CZ TYR A 631 2.482 3.403 -2.259 1.00 6.48 C ATOM 1565 OH TYR A 631 3.442 2.657 -2.863 1.00 8.05 O ATOM 0 H TYR A 631 -2.487 5.299 1.426 1.00 1.28 H new ATOM 0 HA TYR A 631 -2.014 6.792 -1.113 1.00 1.41 H new ATOM 0 HB2 TYR A 631 -0.071 6.783 -0.038 1.00 1.89 H new ATOM 0 HB3 TYR A 631 -0.444 5.356 0.909 1.00 1.89 H new ATOM 0 HD1 TYR A 631 -0.630 3.108 -0.894 1.00 4.84 H new ATOM 0 HD2 TYR A 631 1.911 6.568 -1.107 1.00 3.93 H new ATOM 0 HE1 TYR A 631 1.060 1.780 -2.131 1.00 6.35 H new ATOM 0 HE2 TYR A 631 3.657 5.219 -2.244 1.00 5.44 H new ATOM 0 HH TYR A 631 4.224 3.218 -3.049 1.00 8.05 H new ATOM 1575 N SER A 632 -2.442 4.879 -2.685 1.00 1.36 N ATOM 1576 CA SER A 632 -2.708 3.756 -3.582 1.00 1.54 C ATOM 1577 C SER A 632 -1.971 3.943 -4.907 1.00 1.73 C ATOM 1578 O SER A 632 -2.402 4.677 -5.798 1.00 2.52 O ATOM 1579 CB SER A 632 -4.221 3.571 -3.759 1.00 2.01 C ATOM 1580 OG SER A 632 -4.861 4.708 -4.306 1.00 1.93 O ATOM 0 H SER A 632 -2.220 5.755 -3.159 1.00 1.36 H new ATOM 0 HA SER A 632 -2.324 2.836 -3.141 1.00 1.54 H new ATOM 0 HB2 SER A 632 -4.402 2.713 -4.407 1.00 2.01 H new ATOM 0 HB3 SER A 632 -4.668 3.340 -2.792 1.00 2.01 H new ATOM 0 HG SER A 632 -4.238 5.182 -4.896 1.00 1.93 H new ATOM 1586 N LEU A 633 -0.866 3.217 -5.071 1.00 1.26 N ATOM 1587 CA LEU A 633 0.135 3.468 -6.114 1.00 1.42 C ATOM 1588 C LEU A 633 0.355 2.203 -6.943 1.00 1.20 C ATOM 1589 O LEU A 633 0.455 1.110 -6.374 1.00 0.94 O ATOM 1590 CB LEU A 633 1.455 3.919 -5.444 1.00 1.54 C ATOM 1591 CG LEU A 633 2.327 4.963 -6.172 1.00 2.22 C ATOM 1592 CD1 LEU A 633 3.782 4.856 -5.706 1.00 2.55 C ATOM 1593 CD2 LEU A 633 2.359 4.882 -7.698 1.00 3.07 C ATOM 0 H LEU A 633 -0.635 2.423 -4.474 1.00 1.26 H new ATOM 0 HA LEU A 633 -0.215 4.254 -6.783 1.00 1.42 H new ATOM 0 HB2 LEU A 633 1.208 4.320 -4.461 1.00 1.54 H new ATOM 0 HB3 LEU A 633 2.066 3.031 -5.282 1.00 1.54 H new ATOM 0 HG LEU A 633 1.848 5.906 -5.910 1.00 2.22 H new ATOM 0 HD11 LEU A 633 4.387 5.598 -6.227 1.00 2.55 H new ATOM 0 HD12 LEU A 633 3.834 5.035 -4.632 1.00 2.55 H new ATOM 0 HD13 LEU A 633 4.162 3.859 -5.926 1.00 2.55 H new ATOM 0 HD21 LEU A 633 3.005 5.667 -8.091 1.00 3.07 H new ATOM 0 HD22 LEU A 633 2.744 3.909 -8.003 1.00 3.07 H new ATOM 0 HD23 LEU A 633 1.350 5.012 -8.090 1.00 3.07 H new ATOM 1605 N SER A 634 0.502 2.357 -8.262 1.00 1.37 N ATOM 1606 CA SER A 634 0.788 1.255 -9.191 1.00 1.24 C ATOM 1607 C SER A 634 2.005 0.471 -8.689 1.00 1.08 C ATOM 1608 O SER A 634 3.059 1.045 -8.400 1.00 1.06 O ATOM 1609 CB SER A 634 1.019 1.829 -10.601 1.00 1.22 C ATOM 1610 OG SER A 634 1.844 1.005 -11.408 1.00 2.44 O ATOM 0 H SER A 634 0.425 3.263 -8.723 1.00 1.37 H new ATOM 0 HA SER A 634 -0.056 0.567 -9.241 1.00 1.24 H new ATOM 0 HB2 SER A 634 0.056 1.964 -11.094 1.00 1.22 H new ATOM 0 HB3 SER A 634 1.474 2.816 -10.515 1.00 1.22 H new ATOM 0 HG SER A 634 1.704 1.227 -12.352 1.00 2.44 H new ATOM 1616 N VAL A 635 1.847 -0.852 -8.551 1.00 1.17 N ATOM 1617 CA VAL A 635 2.940 -1.725 -8.091 1.00 1.41 C ATOM 1618 C VAL A 635 4.108 -1.626 -9.052 1.00 1.49 C ATOM 1619 O VAL A 635 5.271 -1.562 -8.657 1.00 1.72 O ATOM 1620 CB VAL A 635 2.464 -3.171 -7.891 1.00 1.59 C ATOM 1621 CG1 VAL A 635 2.506 -4.059 -9.121 1.00 1.64 C ATOM 1622 CG2 VAL A 635 3.498 -3.860 -7.043 1.00 2.80 C ATOM 0 H VAL A 635 0.975 -1.342 -8.750 1.00 1.17 H new ATOM 0 HA VAL A 635 3.278 -1.385 -7.112 1.00 1.41 H new ATOM 0 HB VAL A 635 1.445 -3.070 -7.516 1.00 1.59 H new ATOM 0 HG11 VAL A 635 2.148 -5.056 -8.863 1.00 1.64 H new ATOM 0 HG12 VAL A 635 1.870 -3.635 -9.898 1.00 1.64 H new ATOM 0 HG13 VAL A 635 3.530 -4.125 -9.487 1.00 1.64 H new ATOM 0 HG21 VAL A 635 3.200 -4.895 -6.875 1.00 2.80 H new ATOM 0 HG22 VAL A 635 4.461 -3.838 -7.554 1.00 2.80 H new ATOM 0 HG23 VAL A 635 3.584 -3.347 -6.085 1.00 2.80 H new ATOM 1632 N ASP A 636 3.798 -1.549 -10.340 1.00 1.52 N ATOM 1633 CA ASP A 636 4.837 -1.525 -11.336 1.00 1.88 C ATOM 1634 C ASP A 636 5.638 -0.205 -11.249 1.00 1.63 C ATOM 1635 O ASP A 636 6.840 -0.190 -11.486 1.00 1.88 O ATOM 1636 CB ASP A 636 4.233 -1.687 -12.742 1.00 2.31 C ATOM 1637 CG ASP A 636 3.208 -2.815 -12.853 1.00 2.66 C ATOM 1638 OD1 ASP A 636 3.612 -3.970 -13.131 1.00 3.57 O ATOM 1639 OD2 ASP A 636 1.994 -2.547 -12.668 1.00 2.57 O ATOM 0 H ASP A 636 2.847 -1.503 -10.706 1.00 1.52 H new ATOM 0 HA ASP A 636 5.515 -2.357 -11.148 1.00 1.88 H new ATOM 0 HB2 ASP A 636 3.759 -0.750 -13.033 1.00 2.31 H new ATOM 0 HB3 ASP A 636 5.038 -1.871 -13.453 1.00 2.31 H new ATOM 1644 N ASN A 637 5.003 0.896 -10.814 1.00 1.32 N ATOM 1645 CA ASN A 637 5.635 2.205 -10.591 1.00 1.22 C ATOM 1646 C ASN A 637 6.677 2.219 -9.447 1.00 1.04 C ATOM 1647 O ASN A 637 7.498 3.133 -9.403 1.00 1.34 O ATOM 1648 CB ASN A 637 4.540 3.273 -10.382 1.00 1.53 C ATOM 1649 CG ASN A 637 4.239 4.053 -11.647 1.00 1.58 C ATOM 1650 OD1 ASN A 637 4.580 5.219 -11.774 1.00 2.07 O ATOM 1651 ND2 ASN A 637 3.626 3.440 -12.624 1.00 2.58 N ATOM 0 H ASN A 637 4.005 0.899 -10.602 1.00 1.32 H new ATOM 0 HA ASN A 637 6.211 2.439 -11.486 1.00 1.22 H new ATOM 0 HB2 ASN A 637 3.628 2.790 -10.032 1.00 1.53 H new ATOM 0 HB3 ASN A 637 4.855 3.964 -9.600 1.00 1.53 H new ATOM 0 HD21 ASN A 637 3.432 3.935 -13.494 1.00 2.58 H new ATOM 0 HD22 ASN A 637 3.342 2.466 -12.517 1.00 2.58 H new ATOM 1658 N PHE A 638 6.663 1.233 -8.547 1.00 0.86 N ATOM 1659 CA PHE A 638 7.683 0.916 -7.533 1.00 0.86 C ATOM 1660 C PHE A 638 8.782 0.034 -8.167 1.00 0.95 C ATOM 1661 O PHE A 638 9.974 0.325 -8.041 1.00 0.90 O ATOM 1662 CB PHE A 638 6.926 0.233 -6.388 1.00 1.09 C ATOM 1663 CG PHE A 638 7.625 -0.076 -5.073 1.00 1.28 C ATOM 1664 CD1 PHE A 638 8.882 -0.714 -5.008 1.00 1.76 C ATOM 1665 CD2 PHE A 638 6.923 0.178 -3.880 1.00 2.42 C ATOM 1666 CE1 PHE A 638 9.448 -1.041 -3.762 1.00 1.90 C ATOM 1667 CE2 PHE A 638 7.494 -0.137 -2.634 1.00 2.64 C ATOM 1668 CZ PHE A 638 8.763 -0.734 -2.574 1.00 1.82 C ATOM 0 H PHE A 638 5.879 0.582 -8.501 1.00 0.86 H new ATOM 0 HA PHE A 638 8.203 1.793 -7.148 1.00 0.86 H new ATOM 0 HB2 PHE A 638 6.064 0.859 -6.154 1.00 1.09 H new ATOM 0 HB3 PHE A 638 6.540 -0.710 -6.776 1.00 1.09 H new ATOM 0 HD1 PHE A 638 9.412 -0.952 -5.918 1.00 1.76 H new ATOM 0 HD2 PHE A 638 5.938 0.618 -3.922 1.00 2.42 H new ATOM 0 HE1 PHE A 638 10.411 -1.529 -3.719 1.00 1.90 H new ATOM 0 HE2 PHE A 638 6.956 0.080 -1.723 1.00 2.64 H new ATOM 0 HZ PHE A 638 9.212 -0.957 -1.617 1.00 1.82 H new ATOM 1678 N ASN A 639 8.401 -0.985 -8.951 1.00 1.16 N ATOM 1679 CA ASN A 639 9.340 -1.772 -9.774 1.00 1.24 C ATOM 1680 C ASN A 639 10.117 -0.906 -10.807 1.00 1.17 C ATOM 1681 O ASN A 639 11.218 -1.280 -11.218 1.00 1.24 O ATOM 1682 CB ASN A 639 8.574 -2.942 -10.440 1.00 1.43 C ATOM 1683 CG ASN A 639 8.252 -4.097 -9.498 1.00 1.82 C ATOM 1684 OD1 ASN A 639 9.102 -4.570 -8.758 1.00 2.46 O ATOM 1685 ND2 ASN A 639 7.064 -4.661 -9.533 1.00 1.76 N ATOM 0 H ASN A 639 7.431 -1.290 -9.035 1.00 1.16 H new ATOM 0 HA ASN A 639 10.110 -2.180 -9.120 1.00 1.24 H new ATOM 0 HB2 ASN A 639 7.643 -2.560 -10.859 1.00 1.43 H new ATOM 0 HB3 ASN A 639 9.166 -3.322 -11.273 1.00 1.43 H new ATOM 0 HD21 ASN A 639 6.869 -5.475 -8.950 1.00 1.76 H new ATOM 0 HD22 ASN A 639 6.338 -4.284 -10.143 1.00 1.76 H new ATOM 1692 N GLU A 640 9.589 0.260 -11.193 1.00 1.10 N ATOM 1693 CA GLU A 640 10.196 1.260 -12.089 1.00 1.11 C ATOM 1694 C GLU A 640 11.309 2.099 -11.451 1.00 1.00 C ATOM 1695 O GLU A 640 12.225 2.538 -12.150 1.00 1.17 O ATOM 1696 CB GLU A 640 9.101 2.250 -12.530 1.00 1.24 C ATOM 1697 CG GLU A 640 8.362 1.825 -13.800 1.00 2.03 C ATOM 1698 CD GLU A 640 9.310 1.760 -14.995 1.00 2.44 C ATOM 1699 OE1 GLU A 640 9.952 2.776 -15.349 1.00 2.62 O ATOM 1700 OE2 GLU A 640 9.462 0.655 -15.567 1.00 3.83 O ATOM 0 H GLU A 640 8.667 0.553 -10.869 1.00 1.10 H new ATOM 0 HA GLU A 640 10.636 0.692 -12.909 1.00 1.11 H new ATOM 0 HB2 GLU A 640 8.379 2.363 -11.721 1.00 1.24 H new ATOM 0 HB3 GLU A 640 9.553 3.228 -12.694 1.00 1.24 H new ATOM 0 HG2 GLU A 640 7.900 0.850 -13.646 1.00 2.03 H new ATOM 0 HG3 GLU A 640 7.557 2.530 -14.009 1.00 2.03 H new ATOM 1707 N VAL A 641 11.215 2.362 -10.148 1.00 0.87 N ATOM 1708 CA VAL A 641 12.171 3.183 -9.381 1.00 0.82 C ATOM 1709 C VAL A 641 13.295 2.341 -8.784 1.00 0.85 C ATOM 1710 O VAL A 641 14.420 2.809 -8.637 1.00 0.93 O ATOM 1711 CB VAL A 641 11.420 4.064 -8.368 1.00 0.78 C ATOM 1712 CG1 VAL A 641 10.380 3.342 -7.515 1.00 0.81 C ATOM 1713 CG2 VAL A 641 12.334 4.839 -7.417 1.00 0.80 C ATOM 0 H VAL A 641 10.452 2.003 -9.574 1.00 0.87 H new ATOM 0 HA VAL A 641 12.682 3.868 -10.058 1.00 0.82 H new ATOM 0 HB VAL A 641 10.903 4.753 -9.035 1.00 0.78 H new ATOM 0 HG11 VAL A 641 9.910 4.053 -6.836 1.00 0.81 H new ATOM 0 HG12 VAL A 641 9.621 2.902 -8.162 1.00 0.81 H new ATOM 0 HG13 VAL A 641 10.866 2.555 -6.938 1.00 0.81 H new ATOM 0 HG21 VAL A 641 11.728 5.435 -6.735 1.00 0.80 H new ATOM 0 HG22 VAL A 641 12.941 4.138 -6.844 1.00 0.80 H new ATOM 0 HG23 VAL A 641 12.985 5.497 -7.993 1.00 0.80 H new ATOM 1723 N LEU A 642 13.032 1.053 -8.565 1.00 0.86 N ATOM 1724 CA LEU A 642 14.063 0.051 -8.259 1.00 0.96 C ATOM 1725 C LEU A 642 15.204 -0.013 -9.295 1.00 0.99 C ATOM 1726 O LEU A 642 16.361 -0.197 -8.925 1.00 1.10 O ATOM 1727 CB LEU A 642 13.385 -1.326 -8.119 1.00 1.07 C ATOM 1728 CG LEU A 642 12.775 -1.595 -6.733 1.00 1.41 C ATOM 1729 CD1 LEU A 642 12.095 -2.963 -6.702 1.00 1.47 C ATOM 1730 CD2 LEU A 642 13.864 -1.617 -5.666 1.00 2.29 C ATOM 0 H LEU A 642 12.088 0.668 -8.594 1.00 0.86 H new ATOM 0 HA LEU A 642 14.538 0.351 -7.325 1.00 0.96 H new ATOM 0 HB2 LEU A 642 12.600 -1.409 -8.871 1.00 1.07 H new ATOM 0 HB3 LEU A 642 14.118 -2.102 -8.337 1.00 1.07 H new ATOM 0 HG LEU A 642 12.055 -0.800 -6.537 1.00 1.41 H new ATOM 0 HD11 LEU A 642 11.669 -3.135 -5.713 1.00 1.47 H new ATOM 0 HD12 LEU A 642 11.302 -2.992 -7.449 1.00 1.47 H new ATOM 0 HD13 LEU A 642 12.828 -3.739 -6.922 1.00 1.47 H new ATOM 0 HD21 LEU A 642 13.415 -1.809 -4.692 1.00 2.29 H new ATOM 0 HD22 LEU A 642 14.582 -2.404 -5.895 1.00 2.29 H new ATOM 0 HD23 LEU A 642 14.374 -0.654 -5.647 1.00 2.29 H new ATOM 1742 N GLU A 643 14.891 0.211 -10.573 1.00 1.03 N ATOM 1743 CA GLU A 643 15.857 0.256 -11.690 1.00 1.16 C ATOM 1744 C GLU A 643 17.003 1.267 -11.492 1.00 1.05 C ATOM 1745 O GLU A 643 18.097 1.082 -12.033 1.00 1.09 O ATOM 1746 CB GLU A 643 15.106 0.645 -12.976 1.00 1.46 C ATOM 1747 CG GLU A 643 14.084 -0.386 -13.472 1.00 1.78 C ATOM 1748 CD GLU A 643 14.606 -1.199 -14.665 1.00 2.22 C ATOM 1749 OE1 GLU A 643 14.801 -0.616 -15.763 1.00 2.97 O ATOM 1750 OE2 GLU A 643 14.823 -2.427 -14.517 1.00 2.82 O ATOM 0 H GLU A 643 13.930 0.372 -10.876 1.00 1.03 H new ATOM 0 HA GLU A 643 16.306 -0.736 -11.745 1.00 1.16 H new ATOM 0 HB2 GLU A 643 14.591 1.590 -12.805 1.00 1.46 H new ATOM 0 HB3 GLU A 643 15.837 0.818 -13.766 1.00 1.46 H new ATOM 0 HG2 GLU A 643 13.831 -1.064 -12.657 1.00 1.78 H new ATOM 0 HG3 GLU A 643 13.165 0.126 -13.758 1.00 1.78 H new ATOM 1757 N GLU A 644 16.778 2.339 -10.727 1.00 0.98 N ATOM 1758 CA GLU A 644 17.742 3.421 -10.495 1.00 1.03 C ATOM 1759 C GLU A 644 18.794 3.103 -9.419 1.00 1.03 C ATOM 1760 O GLU A 644 19.832 3.771 -9.337 1.00 1.15 O ATOM 1761 CB GLU A 644 16.946 4.648 -10.070 1.00 1.02 C ATOM 1762 CG GLU A 644 16.089 5.219 -11.196 1.00 1.10 C ATOM 1763 CD GLU A 644 16.811 6.353 -11.931 1.00 1.30 C ATOM 1764 OE1 GLU A 644 16.862 7.482 -11.390 1.00 2.14 O ATOM 1765 OE2 GLU A 644 17.356 6.151 -13.046 1.00 1.81 O ATOM 0 H GLU A 644 15.895 2.483 -10.237 1.00 0.98 H new ATOM 0 HA GLU A 644 18.300 3.577 -11.418 1.00 1.03 H new ATOM 0 HB2 GLU A 644 16.304 4.385 -9.229 1.00 1.02 H new ATOM 0 HB3 GLU A 644 17.634 5.417 -9.718 1.00 1.02 H new ATOM 0 HG2 GLU A 644 15.839 4.427 -11.902 1.00 1.10 H new ATOM 0 HG3 GLU A 644 15.149 5.589 -10.787 1.00 1.10 H new ATOM 1772 N TYR A 645 18.510 2.102 -8.584 1.00 0.96 N ATOM 1773 CA TYR A 645 19.285 1.729 -7.398 1.00 1.03 C ATOM 1774 C TYR A 645 19.447 0.194 -7.331 1.00 1.07 C ATOM 1775 O TYR A 645 18.874 -0.441 -6.441 1.00 1.19 O ATOM 1776 CB TYR A 645 18.620 2.317 -6.132 1.00 1.10 C ATOM 1777 CG TYR A 645 18.279 3.798 -6.198 1.00 1.09 C ATOM 1778 CD1 TYR A 645 17.036 4.189 -6.731 1.00 2.07 C ATOM 1779 CD2 TYR A 645 19.178 4.779 -5.736 1.00 1.97 C ATOM 1780 CE1 TYR A 645 16.708 5.550 -6.857 1.00 2.25 C ATOM 1781 CE2 TYR A 645 18.841 6.148 -5.834 1.00 1.87 C ATOM 1782 CZ TYR A 645 17.614 6.534 -6.420 1.00 1.25 C ATOM 1783 OH TYR A 645 17.328 7.845 -6.637 1.00 1.44 O ATOM 0 H TYR A 645 17.697 1.502 -8.722 1.00 0.96 H new ATOM 0 HA TYR A 645 20.288 2.150 -7.460 1.00 1.03 H new ATOM 0 HB2 TYR A 645 17.705 1.760 -5.932 1.00 1.10 H new ATOM 0 HB3 TYR A 645 19.285 2.153 -5.284 1.00 1.10 H new ATOM 0 HD1 TYR A 645 16.328 3.437 -7.046 1.00 2.07 H new ATOM 0 HD2 TYR A 645 20.125 4.485 -5.307 1.00 1.97 H new ATOM 0 HE1 TYR A 645 15.762 5.840 -7.289 1.00 2.25 H new ATOM 0 HE2 TYR A 645 19.521 6.899 -5.461 1.00 1.87 H new ATOM 0 HH TYR A 645 18.050 8.401 -6.277 1.00 1.44 H new ATOM 1793 N PRO A 646 20.185 -0.443 -8.267 1.00 1.08 N ATOM 1794 CA PRO A 646 20.199 -1.901 -8.458 1.00 1.19 C ATOM 1795 C PRO A 646 20.508 -2.753 -7.215 1.00 1.23 C ATOM 1796 O PRO A 646 20.048 -3.897 -7.150 1.00 1.36 O ATOM 1797 CB PRO A 646 21.203 -2.177 -9.586 1.00 1.28 C ATOM 1798 CG PRO A 646 21.960 -0.864 -9.777 1.00 1.26 C ATOM 1799 CD PRO A 646 20.947 0.187 -9.335 1.00 1.12 C ATOM 0 HA PRO A 646 19.183 -2.211 -8.702 1.00 1.19 H new ATOM 0 HB2 PRO A 646 21.881 -2.988 -9.320 1.00 1.28 H new ATOM 0 HB3 PRO A 646 20.694 -2.475 -10.502 1.00 1.28 H new ATOM 0 HG2 PRO A 646 22.866 -0.830 -9.172 1.00 1.26 H new ATOM 0 HG3 PRO A 646 22.263 -0.721 -10.814 1.00 1.26 H new ATOM 0 HD2 PRO A 646 21.445 1.091 -8.983 1.00 1.12 H new ATOM 0 HD3 PRO A 646 20.299 0.481 -10.161 1.00 1.12 H new ATOM 1807 N MET A 647 21.183 -2.223 -6.185 1.00 1.21 N ATOM 1808 CA MET A 647 21.346 -2.958 -4.922 1.00 1.31 C ATOM 1809 C MET A 647 20.005 -3.265 -4.227 1.00 1.32 C ATOM 1810 O MET A 647 19.891 -4.279 -3.539 1.00 1.53 O ATOM 1811 CB MET A 647 22.309 -2.242 -3.978 1.00 1.36 C ATOM 1812 CG MET A 647 21.792 -0.855 -3.647 1.00 2.31 C ATOM 1813 SD MET A 647 22.538 -0.078 -2.204 1.00 2.06 S ATOM 1814 CE MET A 647 20.950 0.201 -1.404 1.00 1.48 C ATOM 0 H MET A 647 21.619 -1.301 -6.200 1.00 1.21 H new ATOM 0 HA MET A 647 21.784 -3.921 -5.185 1.00 1.31 H new ATOM 0 HB2 MET A 647 22.428 -2.821 -3.062 1.00 1.36 H new ATOM 0 HB3 MET A 647 23.294 -2.169 -4.439 1.00 1.36 H new ATOM 0 HG2 MET A 647 21.953 -0.210 -4.510 1.00 2.31 H new ATOM 0 HG3 MET A 647 20.715 -0.915 -3.491 1.00 2.31 H new ATOM 0 HE1 MET A 647 21.102 0.755 -0.478 1.00 1.48 H new ATOM 0 HE2 MET A 647 20.304 0.774 -2.068 1.00 1.48 H new ATOM 0 HE3 MET A 647 20.482 -0.758 -1.181 1.00 1.48 H new ATOM 1824 N MET A 648 18.986 -2.421 -4.435 1.00 1.16 N ATOM 1825 CA MET A 648 17.629 -2.599 -3.918 1.00 1.13 C ATOM 1826 C MET A 648 16.820 -3.576 -4.774 1.00 1.14 C ATOM 1827 O MET A 648 16.034 -4.340 -4.224 1.00 1.20 O ATOM 1828 CB MET A 648 16.889 -1.252 -3.839 1.00 1.04 C ATOM 1829 CG MET A 648 17.426 -0.283 -2.782 1.00 1.29 C ATOM 1830 SD MET A 648 17.524 -0.912 -1.078 1.00 1.60 S ATOM 1831 CE MET A 648 15.905 -1.712 -0.858 1.00 1.66 C ATOM 0 H MET A 648 19.090 -1.569 -4.986 1.00 1.16 H new ATOM 0 HA MET A 648 17.724 -3.016 -2.916 1.00 1.13 H new ATOM 0 HB2 MET A 648 16.940 -0.768 -4.814 1.00 1.04 H new ATOM 0 HB3 MET A 648 15.836 -1.444 -3.633 1.00 1.04 H new ATOM 0 HG2 MET A 648 18.423 0.035 -3.086 1.00 1.29 H new ATOM 0 HG3 MET A 648 16.795 0.605 -2.782 1.00 1.29 H new ATOM 0 HE1 MET A 648 15.814 -2.073 0.166 1.00 1.66 H new ATOM 0 HE2 MET A 648 15.113 -0.992 -1.061 1.00 1.66 H new ATOM 0 HE3 MET A 648 15.817 -2.552 -1.548 1.00 1.66 H new ATOM 1841 N ARG A 649 17.023 -3.608 -6.102 1.00 1.16 N ATOM 1842 CA ARG A 649 16.360 -4.585 -6.985 1.00 1.28 C ATOM 1843 C ARG A 649 16.669 -6.005 -6.528 1.00 1.37 C ATOM 1844 O ARG A 649 15.747 -6.761 -6.220 1.00 1.50 O ATOM 1845 CB ARG A 649 16.762 -4.343 -8.454 1.00 1.32 C ATOM 1846 CG ARG A 649 16.521 -5.536 -9.400 1.00 1.58 C ATOM 1847 CD ARG A 649 15.106 -6.104 -9.405 1.00 2.16 C ATOM 1848 NE ARG A 649 14.550 -6.147 -10.769 1.00 2.79 N ATOM 1849 CZ ARG A 649 14.570 -7.156 -11.620 1.00 3.16 C ATOM 1850 NH1 ARG A 649 15.053 -8.328 -11.339 1.00 3.30 N ATOM 1851 NH2 ARG A 649 14.110 -6.996 -12.823 1.00 4.16 N ATOM 0 H ARG A 649 17.645 -2.964 -6.591 1.00 1.16 H new ATOM 0 HA ARG A 649 15.280 -4.452 -6.921 1.00 1.28 H new ATOM 0 HB2 ARG A 649 16.208 -3.483 -8.830 1.00 1.32 H new ATOM 0 HB3 ARG A 649 17.819 -4.080 -8.487 1.00 1.32 H new ATOM 0 HG2 ARG A 649 16.772 -5.227 -10.415 1.00 1.58 H new ATOM 0 HG3 ARG A 649 17.212 -6.335 -9.130 1.00 1.58 H new ATOM 0 HD2 ARG A 649 15.114 -7.108 -8.982 1.00 2.16 H new ATOM 0 HD3 ARG A 649 14.465 -5.494 -8.768 1.00 2.16 H new ATOM 0 HE ARG A 649 14.095 -5.294 -11.095 1.00 2.79 H new ATOM 0 HH11 ARG A 649 15.446 -8.509 -10.416 1.00 3.30 H new ATOM 0 HH12 ARG A 649 15.039 -9.067 -12.042 1.00 3.30 H new ATOM 0 HH21 ARG A 649 13.734 -6.092 -13.109 1.00 4.16 H new ATOM 0 HH22 ARG A 649 14.124 -7.774 -13.482 1.00 4.16 H new ATOM 1865 N ARG A 650 17.957 -6.342 -6.411 1.00 1.36 N ATOM 1866 CA ARG A 650 18.367 -7.683 -5.968 1.00 1.45 C ATOM 1867 C ARG A 650 17.897 -8.000 -4.550 1.00 1.48 C ATOM 1868 O ARG A 650 17.454 -9.115 -4.289 1.00 1.60 O ATOM 1869 CB ARG A 650 19.877 -7.894 -6.131 1.00 1.49 C ATOM 1870 CG ARG A 650 20.785 -7.001 -5.271 1.00 2.18 C ATOM 1871 CD ARG A 650 22.264 -7.251 -5.589 1.00 2.40 C ATOM 1872 NE ARG A 650 22.654 -6.646 -6.878 1.00 3.90 N ATOM 1873 CZ ARG A 650 23.481 -5.639 -7.079 1.00 5.40 C ATOM 1874 NH1 ARG A 650 24.117 -5.010 -6.134 1.00 5.85 N ATOM 1875 NH2 ARG A 650 23.694 -5.214 -8.283 1.00 6.97 N ATOM 0 H ARG A 650 18.732 -5.711 -6.615 1.00 1.36 H new ATOM 0 HA ARG A 650 17.866 -8.396 -6.623 1.00 1.45 H new ATOM 0 HB2 ARG A 650 20.104 -8.935 -5.901 1.00 1.49 H new ATOM 0 HB3 ARG A 650 20.134 -7.735 -7.178 1.00 1.49 H new ATOM 0 HG2 ARG A 650 20.544 -5.953 -5.448 1.00 2.18 H new ATOM 0 HG3 ARG A 650 20.598 -7.197 -4.215 1.00 2.18 H new ATOM 0 HD2 ARG A 650 22.883 -6.839 -4.792 1.00 2.40 H new ATOM 0 HD3 ARG A 650 22.454 -8.324 -5.618 1.00 2.40 H new ATOM 0 HE ARG A 650 22.234 -7.056 -7.712 1.00 3.90 H new ATOM 0 HH11 ARG A 650 23.990 -5.289 -5.161 1.00 5.85 H new ATOM 0 HH12 ARG A 650 24.742 -4.238 -6.366 1.00 5.85 H new ATOM 0 HH21 ARG A 650 23.223 -5.658 -9.071 1.00 6.97 H new ATOM 0 HH22 ARG A 650 24.333 -4.435 -8.443 1.00 6.97 H new ATOM 1889 N ALA A 651 17.913 -6.996 -3.670 1.00 1.42 N ATOM 1890 CA ALA A 651 17.473 -7.106 -2.279 1.00 1.51 C ATOM 1891 C ALA A 651 16.016 -7.583 -2.107 1.00 1.59 C ATOM 1892 O ALA A 651 15.704 -8.126 -1.047 1.00 1.79 O ATOM 1893 CB ALA A 651 17.655 -5.751 -1.585 1.00 1.48 C ATOM 0 H ALA A 651 18.241 -6.061 -3.912 1.00 1.42 H new ATOM 0 HA ALA A 651 18.095 -7.875 -1.821 1.00 1.51 H new ATOM 0 HB1 ALA A 651 17.329 -5.827 -0.548 1.00 1.48 H new ATOM 0 HB2 ALA A 651 18.706 -5.465 -1.615 1.00 1.48 H new ATOM 0 HB3 ALA A 651 17.059 -4.996 -2.099 1.00 1.48 H new ATOM 1899 N PHE A 652 15.151 -7.410 -3.119 1.00 1.51 N ATOM 1900 CA PHE A 652 13.773 -7.920 -3.161 1.00 1.67 C ATOM 1901 C PHE A 652 13.638 -9.312 -3.808 1.00 1.85 C ATOM 1902 O PHE A 652 12.953 -10.182 -3.270 1.00 2.19 O ATOM 1903 CB PHE A 652 12.894 -6.913 -3.916 1.00 1.53 C ATOM 1904 CG PHE A 652 12.337 -5.786 -3.072 1.00 1.44 C ATOM 1905 CD1 PHE A 652 11.286 -6.033 -2.169 1.00 1.95 C ATOM 1906 CD2 PHE A 652 12.838 -4.483 -3.223 1.00 2.28 C ATOM 1907 CE1 PHE A 652 10.736 -4.976 -1.421 1.00 1.90 C ATOM 1908 CE2 PHE A 652 12.299 -3.426 -2.465 1.00 2.34 C ATOM 1909 CZ PHE A 652 11.240 -3.671 -1.572 1.00 1.46 C ATOM 0 H PHE A 652 15.402 -6.892 -3.961 1.00 1.51 H new ATOM 0 HA PHE A 652 13.448 -8.037 -2.127 1.00 1.67 H new ATOM 0 HB2 PHE A 652 13.478 -6.482 -4.729 1.00 1.53 H new ATOM 0 HB3 PHE A 652 12.062 -7.450 -4.371 1.00 1.53 H new ATOM 0 HD1 PHE A 652 10.901 -7.035 -2.050 1.00 1.95 H new ATOM 0 HD2 PHE A 652 13.639 -4.291 -3.922 1.00 2.28 H new ATOM 0 HE1 PHE A 652 9.927 -5.166 -0.731 1.00 1.90 H new ATOM 0 HE2 PHE A 652 12.698 -2.428 -2.569 1.00 2.34 H new ATOM 0 HZ PHE A 652 10.814 -2.858 -1.003 1.00 1.46 H new ATOM 1919 N GLU A 653 14.293 -9.569 -4.942 1.00 1.76 N ATOM 1920 CA GLU A 653 14.181 -10.880 -5.615 1.00 1.98 C ATOM 1921 C GLU A 653 14.925 -12.017 -4.891 1.00 2.02 C ATOM 1922 O GLU A 653 14.611 -13.192 -5.082 1.00 2.16 O ATOM 1923 CB GLU A 653 14.543 -10.799 -7.099 1.00 2.19 C ATOM 1924 CG GLU A 653 15.915 -10.190 -7.371 1.00 1.92 C ATOM 1925 CD GLU A 653 16.276 -10.195 -8.868 1.00 2.43 C ATOM 1926 OE1 GLU A 653 15.973 -11.193 -9.570 1.00 2.83 O ATOM 1927 OE2 GLU A 653 16.873 -9.210 -9.368 1.00 3.53 O ATOM 0 H GLU A 653 14.901 -8.901 -5.415 1.00 1.76 H new ATOM 0 HA GLU A 653 13.126 -11.147 -5.556 1.00 1.98 H new ATOM 0 HB2 GLU A 653 14.511 -11.802 -7.525 1.00 2.19 H new ATOM 0 HB3 GLU A 653 13.786 -10.209 -7.615 1.00 2.19 H new ATOM 0 HG2 GLU A 653 15.934 -9.166 -6.999 1.00 1.92 H new ATOM 0 HG3 GLU A 653 16.672 -10.745 -6.816 1.00 1.92 H new ATOM 1934 N THR A 654 15.862 -11.659 -4.010 1.00 1.99 N ATOM 1935 CA THR A 654 16.613 -12.600 -3.156 1.00 2.21 C ATOM 1936 C THR A 654 15.789 -13.071 -1.952 1.00 2.41 C ATOM 1937 O THR A 654 15.757 -14.264 -1.637 1.00 2.63 O ATOM 1938 CB THR A 654 17.964 -11.992 -2.738 1.00 2.21 C ATOM 1939 OG1 THR A 654 18.816 -12.973 -2.186 1.00 2.57 O ATOM 1940 CG2 THR A 654 17.833 -10.864 -1.717 1.00 2.07 C ATOM 0 H THR A 654 16.130 -10.686 -3.862 1.00 1.99 H new ATOM 0 HA THR A 654 16.821 -13.493 -3.745 1.00 2.21 H new ATOM 0 HB THR A 654 18.384 -11.583 -3.657 1.00 2.21 H new ATOM 0 HG1 THR A 654 19.667 -12.560 -1.930 1.00 2.57 H new ATOM 0 HG21 THR A 654 18.823 -10.482 -1.468 1.00 2.07 H new ATOM 0 HG22 THR A 654 17.230 -10.060 -2.138 1.00 2.07 H new ATOM 0 HG23 THR A 654 17.353 -11.244 -0.815 1.00 2.07 H new ATOM 1948 N VAL A 655 15.071 -12.139 -1.312 1.00 2.47 N ATOM 1949 CA VAL A 655 14.294 -12.350 -0.081 1.00 2.91 C ATOM 1950 C VAL A 655 12.992 -13.094 -0.350 1.00 3.17 C ATOM 1951 O VAL A 655 12.595 -13.940 0.443 1.00 3.61 O ATOM 1952 CB VAL A 655 14.053 -11.015 0.649 1.00 2.93 C ATOM 1953 CG1 VAL A 655 13.317 -9.992 -0.200 1.00 2.58 C ATOM 1954 CG2 VAL A 655 13.348 -11.186 1.996 1.00 3.50 C ATOM 0 H VAL A 655 15.012 -11.178 -1.650 1.00 2.47 H new ATOM 0 HA VAL A 655 14.884 -12.987 0.578 1.00 2.91 H new ATOM 0 HB VAL A 655 15.054 -10.628 0.842 1.00 2.93 H new ATOM 0 HG11 VAL A 655 13.179 -9.075 0.373 1.00 2.58 H new ATOM 0 HG12 VAL A 655 13.899 -9.776 -1.096 1.00 2.58 H new ATOM 0 HG13 VAL A 655 12.344 -10.390 -0.487 1.00 2.58 H new ATOM 0 HG21 VAL A 655 13.208 -10.210 2.460 1.00 3.50 H new ATOM 0 HG22 VAL A 655 12.377 -11.657 1.841 1.00 3.50 H new ATOM 0 HG23 VAL A 655 13.956 -11.813 2.648 1.00 3.50 H new