USER MOD reduce.3.24.130724 H: found=0, std=0, add=1217, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1215 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 619 THR OG1 : rot 110:sc= 0.753 USER MOD Set 1.2: A 621 LYS NZ :NH3+ -177:sc= 0.8 (180deg=0) USER MOD Single : A 501 HIS : no HE2:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 506 THR OG1 : rot 18:sc= 0.407 USER MOD Single : A 512 THR OG1 : rot 78:sc= 0.92 USER MOD Single : A 513 HIS : no HE2:sc= 1.03 K(o=1,f=-4.6!) USER MOD Single : A 515 SER OG : rot 180:sc= 0.124 USER MOD Single : A 517 SER OG : rot -170:sc= -0.788 USER MOD Single : A 521 MET CE :methyl 178:sc= -4.33! (180deg=-4.38!) USER MOD Single : A 524 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0147) USER MOD Single : A 528 THR OG1 : rot -172:sc= -2.93! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -1.36! X(o=-1.4!,f=-0.87) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 59:sc= 0.782 USER MOD Single : A 545 THR OG1 : rot -30:sc= 0.484 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot -99:sc= 0.96 USER MOD Single : A 563 GLN : amide:sc= -0.0155 K(o=-0.016,f=-1) USER MOD Single : A 564 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 569 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.06) USER MOD Single : A 570 THR OG1 : rot 165:sc= 1.31 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= -3.43! K(o=-3.4!,f=-0.63) USER MOD Single : A 585 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.841) USER MOD Single : A 586 THR OG1 : rot 40:sc= 0.705 USER MOD Single : A 599 MET CE :methyl -136:sc= -0.366 (180deg=-1.5!) USER MOD Single : A 600 SER OG : rot 180:sc= -0.33 USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 THR OG1 : rot -48:sc= 0.356 USER MOD Single : A 609 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 64:sc= 1.12 USER MOD Single : A 615 LYS NZ :NH3+ -140:sc= -0.779 (180deg=-2.76!) USER MOD Single : A 616 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 620 SER OG : rot 93:sc= 1.28 USER MOD Single : A 631 MET CE :methyl 137:sc= -0.679 (180deg=-1.18) USER MOD Single : A 639 HIS : no HD1:sc= -0.387 K(o=-0.39,f=-1.2) USER MOD Single : A 640 THR OG1 : rot 46:sc= 0.447 USER MOD Single : A 641 LYS NZ :NH3+ -176:sc= 1.18 (180deg=0.946) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 SER OG : rot 44:sc= 1.24 USER MOD Single : A 655 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 501 -8.219 -18.584 -6.332 1.00 73.21 N ATOM 2 CA HIS A 501 -7.603 -17.274 -6.309 1.00 14.13 C ATOM 3 C HIS A 501 -6.914 -17.071 -4.959 1.00 72.11 C ATOM 4 O HIS A 501 -7.413 -17.543 -3.929 1.00 25.33 O ATOM 5 CB HIS A 501 -8.669 -16.186 -6.578 1.00 54.22 C ATOM 6 CG HIS A 501 -8.134 -14.781 -6.674 1.00 23.14 C ATOM 7 ND1 HIS A 501 -8.839 -13.665 -6.301 1.00 41.25 N ATOM 8 CD2 HIS A 501 -6.950 -14.327 -7.143 1.00 25.02 C ATOM 9 CE1 HIS A 501 -8.088 -12.597 -6.543 1.00 60.32 C ATOM 10 NE2 HIS A 501 -6.927 -12.947 -7.056 1.00 73.51 N ATOM 0 HA HIS A 501 -6.851 -17.196 -7.094 1.00 14.13 H new ATOM 0 HB2 HIS A 501 -9.185 -16.426 -7.507 1.00 54.22 H new ATOM 0 HB3 HIS A 501 -9.412 -16.222 -5.782 1.00 54.22 H new ATOM 0 HD1 HIS A 501 -9.779 -13.657 -5.905 1.00 41.25 H new ATOM 0 HD2 HIS A 501 -6.150 -14.944 -7.525 1.00 25.02 H new ATOM 0 HE1 HIS A 501 -8.389 -11.579 -6.346 1.00 60.32 H new ATOM 18 N ALA A 502 -5.760 -16.428 -4.968 1.00 21.22 N ATOM 19 CA ALA A 502 -5.029 -16.177 -3.744 1.00 54.52 C ATOM 20 C ALA A 502 -5.620 -14.978 -3.047 1.00 23.15 C ATOM 21 O ALA A 502 -5.945 -15.035 -1.856 1.00 62.43 O ATOM 22 CB ALA A 502 -3.562 -15.982 -4.017 1.00 0.00 C ATOM 0 H ALA A 502 -5.311 -16.071 -5.811 1.00 21.22 H new ATOM 0 HA ALA A 502 -5.119 -17.045 -3.092 1.00 54.52 H new ATOM 0 HB1 ALA A 502 -3.039 -15.795 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 502 -3.157 -16.879 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 502 -3.426 -15.131 -4.684 1.00 0.00 H new ATOM 28 N GLY A 503 -5.748 -13.879 -3.765 1.00 5.22 N ATOM 29 CA GLY A 503 -6.475 -12.802 -3.212 1.00 41.33 C ATOM 30 C GLY A 503 -5.930 -11.418 -3.458 1.00 14.50 C ATOM 31 O GLY A 503 -4.987 -11.223 -4.222 1.00 72.04 O ATOM 0 H GLY A 503 -5.365 -13.729 -4.699 1.00 5.22 H new ATOM 0 HA2 GLY A 503 -7.492 -12.842 -3.603 1.00 41.33 H new ATOM 0 HA3 GLY A 503 -6.542 -12.955 -2.135 1.00 41.33 H new ATOM 35 N ILE A 504 -6.506 -10.488 -2.712 1.00 2.33 N ATOM 36 CA ILE A 504 -6.357 -9.049 -2.888 1.00 12.31 C ATOM 37 C ILE A 504 -5.567 -8.420 -1.731 1.00 41.33 C ATOM 38 O ILE A 504 -5.789 -8.767 -0.577 1.00 63.11 O ATOM 39 CB ILE A 504 -7.795 -8.367 -2.908 1.00 2.20 C ATOM 40 CG1 ILE A 504 -8.668 -8.777 -4.124 1.00 23.11 C ATOM 41 CG2 ILE A 504 -7.742 -6.855 -2.773 1.00 73.11 C ATOM 42 CD1 ILE A 504 -9.290 -10.162 -4.038 1.00 15.14 C ATOM 0 H ILE A 504 -7.118 -10.725 -1.931 1.00 2.33 H new ATOM 0 HA ILE A 504 -5.823 -8.887 -3.824 1.00 12.31 H new ATOM 0 HB ILE A 504 -8.285 -8.762 -2.018 1.00 2.20 H new ATOM 0 HG12 ILE A 504 -9.467 -8.044 -4.241 1.00 23.11 H new ATOM 0 HG13 ILE A 504 -8.055 -8.727 -5.024 1.00 23.11 H new ATOM 0 HG21 ILE A 504 -8.755 -6.452 -2.794 1.00 73.11 H new ATOM 0 HG22 ILE A 504 -7.266 -6.590 -1.829 1.00 73.11 H new ATOM 0 HG23 ILE A 504 -7.168 -6.436 -3.599 1.00 73.11 H new ATOM 0 HD11 ILE A 504 -9.880 -10.352 -4.935 1.00 15.14 H new ATOM 0 HD12 ILE A 504 -8.502 -10.910 -3.956 1.00 15.14 H new ATOM 0 HD13 ILE A 504 -9.935 -10.217 -3.161 1.00 15.14 H new ATOM 54 N PHE A 505 -4.644 -7.531 -2.057 1.00 21.50 N ATOM 55 CA PHE A 505 -3.949 -6.704 -1.071 1.00 33.24 C ATOM 56 C PHE A 505 -3.954 -5.251 -1.551 1.00 4.34 C ATOM 57 O PHE A 505 -3.514 -4.954 -2.663 1.00 30.54 O ATOM 58 CB PHE A 505 -2.516 -7.193 -0.829 1.00 11.11 C ATOM 59 CG PHE A 505 -2.456 -8.517 -0.132 1.00 32.43 C ATOM 60 CD1 PHE A 505 -2.532 -8.582 1.246 1.00 2.21 C ATOM 61 CD2 PHE A 505 -2.346 -9.694 -0.850 1.00 71.23 C ATOM 62 CE1 PHE A 505 -2.493 -9.793 1.895 1.00 2.23 C ATOM 63 CE2 PHE A 505 -2.309 -10.909 -0.203 1.00 61.21 C ATOM 64 CZ PHE A 505 -2.382 -10.957 1.172 1.00 35.33 C ATOM 0 H PHE A 505 -4.350 -7.358 -3.018 1.00 21.50 H new ATOM 0 HA PHE A 505 -4.473 -6.779 -0.118 1.00 33.24 H new ATOM 0 HB2 PHE A 505 -1.998 -7.269 -1.785 1.00 11.11 H new ATOM 0 HB3 PHE A 505 -1.981 -6.452 -0.235 1.00 11.11 H new ATOM 0 HD1 PHE A 505 -2.623 -7.671 1.819 1.00 2.21 H new ATOM 0 HD2 PHE A 505 -2.289 -9.660 -1.928 1.00 71.23 H new ATOM 0 HE1 PHE A 505 -2.550 -9.830 2.973 1.00 2.23 H new ATOM 0 HE2 PHE A 505 -2.223 -11.823 -0.772 1.00 61.21 H new ATOM 0 HZ PHE A 505 -2.352 -11.909 1.682 1.00 35.33 H new ATOM 74 N THR A 506 -4.470 -4.357 -0.746 1.00 61.41 N ATOM 75 CA THR A 506 -4.597 -2.975 -1.141 1.00 64.04 C ATOM 76 C THR A 506 -4.508 -2.082 0.106 1.00 52.53 C ATOM 77 O THR A 506 -4.638 -2.579 1.237 1.00 52.12 O ATOM 78 CB THR A 506 -5.981 -2.755 -1.870 1.00 34.22 C ATOM 79 OG1 THR A 506 -6.071 -1.444 -2.469 1.00 55.44 O ATOM 80 CG2 THR A 506 -7.160 -2.959 -0.916 1.00 21.14 C ATOM 0 H THR A 506 -4.811 -4.562 0.193 1.00 61.41 H new ATOM 0 HA THR A 506 -3.792 -2.714 -1.828 1.00 64.04 H new ATOM 0 HB THR A 506 -6.032 -3.504 -2.660 1.00 34.22 H new ATOM 0 HG1 THR A 506 -5.172 -1.064 -2.561 1.00 55.44 H new ATOM 0 HG21 THR A 506 -8.095 -2.799 -1.453 1.00 21.14 H new ATOM 0 HG22 THR A 506 -7.137 -3.975 -0.522 1.00 21.14 H new ATOM 0 HG23 THR A 506 -7.089 -2.248 -0.093 1.00 21.14 H new ATOM 88 N PHE A 507 -4.262 -0.795 -0.091 1.00 62.13 N ATOM 89 CA PHE A 507 -4.288 0.160 1.010 1.00 21.31 C ATOM 90 C PHE A 507 -5.702 0.595 1.227 1.00 42.03 C ATOM 91 O PHE A 507 -6.547 0.414 0.346 1.00 73.01 O ATOM 92 CB PHE A 507 -3.443 1.406 0.729 1.00 25.30 C ATOM 93 CG PHE A 507 -1.965 1.218 0.797 1.00 54.05 C ATOM 94 CD1 PHE A 507 -1.313 1.247 2.013 1.00 41.22 C ATOM 95 CD2 PHE A 507 -1.225 1.058 -0.350 1.00 63.32 C ATOM 96 CE1 PHE A 507 0.054 1.114 2.080 1.00 53.30 C ATOM 97 CE2 PHE A 507 0.144 0.918 -0.294 1.00 70.15 C ATOM 98 CZ PHE A 507 0.785 0.948 0.924 1.00 53.10 C ATOM 0 H PHE A 507 -4.043 -0.388 -1.000 1.00 62.13 H new ATOM 0 HA PHE A 507 -3.872 -0.336 1.887 1.00 21.31 H new ATOM 0 HB2 PHE A 507 -3.697 1.778 -0.263 1.00 25.30 H new ATOM 0 HB3 PHE A 507 -3.725 2.181 1.442 1.00 25.30 H new ATOM 0 HD1 PHE A 507 -1.882 1.376 2.922 1.00 41.22 H new ATOM 0 HD2 PHE A 507 -1.724 1.042 -1.308 1.00 63.32 H new ATOM 0 HE1 PHE A 507 0.554 1.140 3.037 1.00 53.30 H new ATOM 0 HE2 PHE A 507 0.713 0.785 -1.202 1.00 70.15 H new ATOM 0 HZ PHE A 507 1.859 0.842 0.973 1.00 53.10 H new ATOM 108 N GLU A 508 -5.981 1.110 2.389 1.00 35.33 N ATOM 109 CA GLU A 508 -7.287 1.625 2.682 1.00 33.54 C ATOM 110 C GLU A 508 -7.390 3.040 2.102 1.00 0.03 C ATOM 111 O GLU A 508 -8.354 3.371 1.419 1.00 43.05 O ATOM 112 CB GLU A 508 -7.515 1.562 4.200 1.00 71.21 C ATOM 113 CG GLU A 508 -8.968 1.527 4.647 1.00 45.42 C ATOM 114 CD GLU A 508 -9.720 2.826 4.471 1.00 32.15 C ATOM 115 OE1 GLU A 508 -9.535 3.740 5.306 1.00 54.15 O ATOM 116 OE2 GLU A 508 -10.537 2.926 3.527 1.00 52.40 O ATOM 0 H GLU A 508 -5.314 1.185 3.157 1.00 35.33 H new ATOM 0 HA GLU A 508 -8.076 1.031 2.222 1.00 33.54 H new ATOM 0 HB2 GLU A 508 -7.013 0.676 4.588 1.00 71.21 H new ATOM 0 HB3 GLU A 508 -7.034 2.427 4.657 1.00 71.21 H new ATOM 0 HG2 GLU A 508 -9.486 0.746 4.090 1.00 45.42 H new ATOM 0 HG3 GLU A 508 -9.002 1.244 5.699 1.00 45.42 H new ATOM 123 N GLU A 509 -6.358 3.827 2.302 1.00 51.31 N ATOM 124 CA GLU A 509 -6.313 5.161 1.760 1.00 75.20 C ATOM 125 C GLU A 509 -5.047 5.318 0.929 1.00 1.04 C ATOM 126 O GLU A 509 -4.002 4.798 1.303 1.00 25.45 O ATOM 127 CB GLU A 509 -6.407 6.215 2.880 1.00 22.01 C ATOM 128 CG GLU A 509 -5.289 6.201 3.908 1.00 62.54 C ATOM 129 CD GLU A 509 -5.640 7.004 5.151 1.00 41.00 C ATOM 130 OE1 GLU A 509 -5.605 8.242 5.127 1.00 52.44 O ATOM 131 OE2 GLU A 509 -5.961 6.388 6.194 1.00 71.12 O ATOM 0 H GLU A 509 -5.534 3.561 2.841 1.00 51.31 H new ATOM 0 HA GLU A 509 -7.174 5.323 1.111 1.00 75.20 H new ATOM 0 HB2 GLU A 509 -6.437 7.203 2.420 1.00 22.01 H new ATOM 0 HB3 GLU A 509 -7.354 6.077 3.402 1.00 22.01 H new ATOM 0 HG2 GLU A 509 -5.072 5.171 4.192 1.00 62.54 H new ATOM 0 HG3 GLU A 509 -4.381 6.606 3.460 1.00 62.54 H new ATOM 138 N PRO A 510 -5.130 5.950 -0.258 1.00 32.03 N ATOM 139 CA PRO A 510 -3.962 6.164 -1.102 1.00 51.53 C ATOM 140 C PRO A 510 -3.261 7.492 -0.815 1.00 75.20 C ATOM 141 O PRO A 510 -2.201 7.777 -1.360 1.00 22.13 O ATOM 142 CB PRO A 510 -4.550 6.163 -2.503 1.00 23.13 C ATOM 143 CG PRO A 510 -5.938 6.696 -2.341 1.00 31.33 C ATOM 144 CD PRO A 510 -6.365 6.446 -0.905 1.00 1.25 C ATOM 0 HA PRO A 510 -3.195 5.407 -0.939 1.00 51.53 H new ATOM 0 HB2 PRO A 510 -3.964 6.787 -3.177 1.00 23.13 H new ATOM 0 HB3 PRO A 510 -4.560 5.159 -2.926 1.00 23.13 H new ATOM 0 HG2 PRO A 510 -5.967 7.762 -2.569 1.00 31.33 H new ATOM 0 HG3 PRO A 510 -6.620 6.203 -3.034 1.00 31.33 H new ATOM 0 HD2 PRO A 510 -6.729 7.357 -0.430 1.00 1.25 H new ATOM 0 HD3 PRO A 510 -7.170 5.713 -0.848 1.00 1.25 H new ATOM 152 N VAL A 511 -3.869 8.290 0.024 1.00 11.43 N ATOM 153 CA VAL A 511 -3.358 9.583 0.438 1.00 32.21 C ATOM 154 C VAL A 511 -3.706 9.749 1.878 1.00 11.24 C ATOM 155 O VAL A 511 -4.827 9.466 2.268 1.00 32.11 O ATOM 156 CB VAL A 511 -3.988 10.775 -0.375 1.00 74.33 C ATOM 157 CG1 VAL A 511 -3.565 12.115 0.193 1.00 51.11 C ATOM 158 CG2 VAL A 511 -3.606 10.711 -1.835 1.00 2.00 C ATOM 0 H VAL A 511 -4.763 8.055 0.455 1.00 11.43 H new ATOM 0 HA VAL A 511 -2.283 9.608 0.259 1.00 32.21 H new ATOM 0 HB VAL A 511 -5.070 10.677 -0.287 1.00 74.33 H new ATOM 0 HG11 VAL A 511 -4.017 12.917 -0.391 1.00 51.11 H new ATOM 0 HG12 VAL A 511 -3.894 12.191 1.229 1.00 51.11 H new ATOM 0 HG13 VAL A 511 -2.479 12.202 0.150 1.00 51.11 H new ATOM 0 HG21 VAL A 511 -4.058 11.549 -2.366 1.00 2.00 H new ATOM 0 HG22 VAL A 511 -2.521 10.764 -1.930 1.00 2.00 H new ATOM 0 HG23 VAL A 511 -3.963 9.774 -2.264 1.00 2.00 H new ATOM 168 N THR A 512 -2.763 10.160 2.653 1.00 42.22 N ATOM 169 CA THR A 512 -2.992 10.385 4.027 1.00 10.42 C ATOM 170 C THR A 512 -2.194 11.647 4.408 1.00 5.43 C ATOM 171 O THR A 512 -1.126 11.915 3.821 1.00 43.33 O ATOM 172 CB THR A 512 -2.574 9.114 4.872 1.00 75.15 C ATOM 173 OG1 THR A 512 -3.186 9.128 6.164 1.00 12.22 O ATOM 174 CG2 THR A 512 -1.065 9.004 5.031 1.00 42.24 C ATOM 0 H THR A 512 -1.809 10.349 2.345 1.00 42.22 H new ATOM 0 HA THR A 512 -4.048 10.546 4.242 1.00 10.42 H new ATOM 0 HB THR A 512 -2.926 8.245 4.316 1.00 75.15 H new ATOM 0 HG1 THR A 512 -4.123 8.853 6.085 1.00 12.22 H new ATOM 0 HG21 THR A 512 -0.825 8.117 5.618 1.00 42.24 H new ATOM 0 HG22 THR A 512 -0.600 8.926 4.048 1.00 42.24 H new ATOM 0 HG23 THR A 512 -0.687 9.890 5.541 1.00 42.24 H new ATOM 182 N HIS A 513 -2.735 12.455 5.284 1.00 22.02 N ATOM 183 CA HIS A 513 -2.035 13.650 5.742 1.00 1.13 C ATOM 184 C HIS A 513 -1.742 13.469 7.185 1.00 51.34 C ATOM 185 O HIS A 513 -2.648 13.170 7.982 1.00 55.50 O ATOM 186 CB HIS A 513 -2.826 14.961 5.533 1.00 34.34 C ATOM 187 CG HIS A 513 -3.119 15.327 4.106 1.00 13.25 C ATOM 188 ND1 HIS A 513 -2.610 16.447 3.483 1.00 53.52 N ATOM 189 CD2 HIS A 513 -3.924 14.731 3.194 1.00 70.02 C ATOM 190 CE1 HIS A 513 -3.104 16.498 2.247 1.00 40.15 C ATOM 191 NE2 HIS A 513 -3.914 15.476 2.019 1.00 44.32 N ATOM 0 H HIS A 513 -3.656 12.316 5.700 1.00 22.02 H new ATOM 0 HA HIS A 513 -1.129 13.756 5.145 1.00 1.13 H new ATOM 0 HB2 HIS A 513 -3.771 14.882 6.070 1.00 34.34 H new ATOM 0 HB3 HIS A 513 -2.267 15.777 5.990 1.00 34.34 H new ATOM 0 HD1 HIS A 513 -1.966 17.121 3.897 1.00 53.52 H new ATOM 0 HD2 HIS A 513 -4.485 13.822 3.354 1.00 70.02 H new ATOM 0 HE1 HIS A 513 -2.874 17.270 1.527 1.00 40.15 H new ATOM 199 N VAL A 514 -0.525 13.647 7.546 1.00 52.43 N ATOM 200 CA VAL A 514 -0.122 13.358 8.884 1.00 33.43 C ATOM 201 C VAL A 514 0.262 14.603 9.602 1.00 21.21 C ATOM 202 O VAL A 514 0.466 15.658 8.985 1.00 33.01 O ATOM 203 CB VAL A 514 1.041 12.324 8.940 1.00 42.41 C ATOM 204 CG1 VAL A 514 0.611 11.012 8.309 1.00 44.10 C ATOM 205 CG2 VAL A 514 2.297 12.857 8.253 1.00 33.25 C ATOM 0 H VAL A 514 0.216 13.992 6.936 1.00 52.43 H new ATOM 0 HA VAL A 514 -0.982 12.911 9.383 1.00 33.43 H new ATOM 0 HB VAL A 514 1.283 12.151 9.989 1.00 42.41 H new ATOM 0 HG11 VAL A 514 1.434 10.299 8.355 1.00 44.10 H new ATOM 0 HG12 VAL A 514 -0.247 10.612 8.850 1.00 44.10 H new ATOM 0 HG13 VAL A 514 0.336 11.182 7.268 1.00 44.10 H new ATOM 0 HG21 VAL A 514 3.088 12.110 8.311 1.00 33.25 H new ATOM 0 HG22 VAL A 514 2.076 13.072 7.207 1.00 33.25 H new ATOM 0 HG23 VAL A 514 2.624 13.771 8.750 1.00 33.25 H new ATOM 215 N SER A 515 0.340 14.505 10.890 1.00 62.20 N ATOM 216 CA SER A 515 0.762 15.598 11.667 1.00 14.04 C ATOM 217 C SER A 515 2.251 15.537 11.745 1.00 73.42 C ATOM 218 O SER A 515 2.824 14.465 11.764 1.00 15.20 O ATOM 219 CB SER A 515 0.160 15.535 13.067 1.00 42.22 C ATOM 220 OG SER A 515 0.536 16.674 13.835 1.00 0.42 O ATOM 0 H SER A 515 0.112 13.664 11.420 1.00 62.20 H new ATOM 0 HA SER A 515 0.433 16.533 11.213 1.00 14.04 H new ATOM 0 HB2 SER A 515 -0.926 15.481 12.998 1.00 42.22 H new ATOM 0 HB3 SER A 515 0.493 14.627 13.570 1.00 42.22 H new ATOM 0 HG SER A 515 0.137 16.613 14.728 1.00 0.42 H new ATOM 226 N GLU A 516 2.873 16.654 11.761 1.00 72.14 N ATOM 227 CA GLU A 516 4.290 16.696 11.880 1.00 34.12 C ATOM 228 C GLU A 516 4.697 16.491 13.354 1.00 50.11 C ATOM 229 O GLU A 516 5.862 16.259 13.675 1.00 12.51 O ATOM 230 CB GLU A 516 4.776 18.012 11.358 1.00 1.20 C ATOM 231 CG GLU A 516 6.249 18.071 11.162 1.00 21.35 C ATOM 232 CD GLU A 516 6.662 19.373 10.635 1.00 53.55 C ATOM 233 OE1 GLU A 516 6.589 19.585 9.395 1.00 21.35 O ATOM 234 OE2 GLU A 516 7.094 20.225 11.408 1.00 2.52 O ATOM 0 H GLU A 516 2.422 17.566 11.693 1.00 72.14 H new ATOM 0 HA GLU A 516 4.745 15.896 11.296 1.00 34.12 H new ATOM 0 HB2 GLU A 516 4.284 18.220 10.408 1.00 1.20 H new ATOM 0 HB3 GLU A 516 4.479 18.800 12.051 1.00 1.20 H new ATOM 0 HG2 GLU A 516 6.752 17.884 12.110 1.00 21.35 H new ATOM 0 HG3 GLU A 516 6.559 17.283 10.475 1.00 21.35 H new ATOM 241 N SER A 517 3.716 16.525 14.231 1.00 64.14 N ATOM 242 CA SER A 517 3.949 16.349 15.643 1.00 15.41 C ATOM 243 C SER A 517 3.667 14.898 16.040 1.00 51.12 C ATOM 244 O SER A 517 3.503 14.573 17.216 1.00 75.31 O ATOM 245 CB SER A 517 3.065 17.318 16.426 1.00 33.43 C ATOM 246 OG SER A 517 3.313 18.662 16.017 1.00 51.34 O ATOM 0 H SER A 517 2.738 16.675 13.983 1.00 64.14 H new ATOM 0 HA SER A 517 4.991 16.565 15.877 1.00 15.41 H new ATOM 0 HB2 SER A 517 2.015 17.071 16.267 1.00 33.43 H new ATOM 0 HB3 SER A 517 3.259 17.215 17.494 1.00 33.43 H new ATOM 0 HG SER A 517 2.861 19.279 16.630 1.00 51.34 H new ATOM 252 N ILE A 518 3.624 14.036 15.047 1.00 15.01 N ATOM 253 CA ILE A 518 3.388 12.641 15.266 1.00 21.52 C ATOM 254 C ILE A 518 4.739 11.914 15.312 1.00 75.32 C ATOM 255 O ILE A 518 5.757 12.444 14.805 1.00 3.32 O ATOM 256 CB ILE A 518 2.491 12.067 14.134 1.00 4.05 C ATOM 257 CG1 ILE A 518 1.762 10.827 14.609 1.00 1.23 C ATOM 258 CG2 ILE A 518 3.307 11.736 12.879 1.00 62.01 C ATOM 259 CD1 ILE A 518 0.753 10.356 13.624 1.00 64.04 C ATOM 0 H ILE A 518 3.753 14.291 14.068 1.00 15.01 H new ATOM 0 HA ILE A 518 2.868 12.495 16.213 1.00 21.52 H new ATOM 0 HB ILE A 518 1.764 12.837 13.876 1.00 4.05 H new ATOM 0 HG12 ILE A 518 2.484 10.032 14.795 1.00 1.23 H new ATOM 0 HG13 ILE A 518 1.269 11.039 15.558 1.00 1.23 H new ATOM 0 HG21 ILE A 518 2.646 11.337 12.110 1.00 62.01 H new ATOM 0 HG22 ILE A 518 3.789 12.641 12.509 1.00 62.01 H new ATOM 0 HG23 ILE A 518 4.067 10.994 13.124 1.00 62.01 H new ATOM 0 HD11 ILE A 518 0.257 9.465 14.009 1.00 64.04 H new ATOM 0 HD12 ILE A 518 0.014 11.140 13.457 1.00 64.04 H new ATOM 0 HD13 ILE A 518 1.248 10.117 12.682 1.00 64.04 H new ATOM 271 N GLY A 519 4.764 10.758 15.921 1.00 24.25 N ATOM 272 CA GLY A 519 5.968 9.989 15.982 1.00 75.15 C ATOM 273 C GLY A 519 5.933 8.852 14.996 1.00 63.44 C ATOM 274 O GLY A 519 6.770 8.767 14.084 1.00 1.14 O ATOM 0 H GLY A 519 3.960 10.332 16.381 1.00 24.25 H new ATOM 0 HA2 GLY A 519 6.824 10.630 15.773 1.00 75.15 H new ATOM 0 HA3 GLY A 519 6.102 9.597 16.990 1.00 75.15 H new ATOM 278 N ILE A 520 4.951 8.000 15.156 1.00 61.53 N ATOM 279 CA ILE A 520 4.771 6.845 14.310 1.00 25.41 C ATOM 280 C ILE A 520 3.394 6.890 13.694 1.00 45.11 C ATOM 281 O ILE A 520 2.401 7.053 14.398 1.00 11.42 O ATOM 282 CB ILE A 520 4.916 5.501 15.111 1.00 11.23 C ATOM 283 CG1 ILE A 520 6.345 5.308 15.650 1.00 41.12 C ATOM 284 CG2 ILE A 520 4.487 4.292 14.270 1.00 30.02 C ATOM 285 CD1 ILE A 520 7.400 5.169 14.572 1.00 53.23 C ATOM 0 H ILE A 520 4.245 8.090 15.887 1.00 61.53 H new ATOM 0 HA ILE A 520 5.546 6.873 13.544 1.00 25.41 H new ATOM 0 HB ILE A 520 4.244 5.571 15.966 1.00 11.23 H new ATOM 0 HG12 ILE A 520 6.600 6.156 16.285 1.00 41.12 H new ATOM 0 HG13 ILE A 520 6.367 4.420 16.281 1.00 41.12 H new ATOM 0 HG21 ILE A 520 4.601 3.381 14.858 1.00 30.02 H new ATOM 0 HG22 ILE A 520 3.444 4.405 13.976 1.00 30.02 H new ATOM 0 HG23 ILE A 520 5.111 4.229 13.378 1.00 30.02 H new ATOM 0 HD11 ILE A 520 8.378 5.037 15.035 1.00 53.23 H new ATOM 0 HD12 ILE A 520 7.173 4.303 13.950 1.00 53.23 H new ATOM 0 HD13 ILE A 520 7.409 6.067 13.954 1.00 53.23 H new ATOM 297 N MET A 521 3.333 6.786 12.401 1.00 63.32 N ATOM 298 CA MET A 521 2.059 6.679 11.726 1.00 4.13 C ATOM 299 C MET A 521 1.868 5.244 11.310 1.00 61.52 C ATOM 300 O MET A 521 2.835 4.579 10.917 1.00 50.23 O ATOM 301 CB MET A 521 1.952 7.613 10.502 1.00 53.31 C ATOM 302 CG MET A 521 2.938 7.316 9.380 1.00 13.21 C ATOM 303 SD MET A 521 2.648 8.340 7.935 1.00 71.32 S ATOM 304 CE MET A 521 3.891 7.730 6.819 1.00 22.34 C ATOM 0 H MET A 521 4.146 6.772 11.785 1.00 63.32 H new ATOM 0 HA MET A 521 1.275 6.992 12.415 1.00 4.13 H new ATOM 0 HB2 MET A 521 0.940 7.550 10.103 1.00 53.31 H new ATOM 0 HB3 MET A 521 2.100 8.641 10.834 1.00 53.31 H new ATOM 0 HG2 MET A 521 3.954 7.477 9.739 1.00 13.21 H new ATOM 0 HG3 MET A 521 2.862 6.265 9.100 1.00 13.21 H new ATOM 0 HE1 MET A 521 3.809 8.249 5.864 1.00 22.34 H new ATOM 0 HE2 MET A 521 4.879 7.906 7.244 1.00 22.34 H new ATOM 0 HE3 MET A 521 3.748 6.661 6.664 1.00 22.34 H new ATOM 314 N GLU A 522 0.667 4.760 11.463 1.00 21.31 N ATOM 315 CA GLU A 522 0.309 3.424 11.065 1.00 35.14 C ATOM 316 C GLU A 522 -0.796 3.451 10.037 1.00 3.22 C ATOM 317 O GLU A 522 -1.896 3.962 10.292 1.00 61.31 O ATOM 318 CB GLU A 522 -0.124 2.595 12.247 1.00 64.13 C ATOM 319 CG GLU A 522 1.000 2.149 13.147 1.00 55.33 C ATOM 320 CD GLU A 522 0.508 1.271 14.252 1.00 74.31 C ATOM 321 OE1 GLU A 522 0.252 0.074 14.006 1.00 53.24 O ATOM 322 OE2 GLU A 522 0.340 1.762 15.391 1.00 71.41 O ATOM 0 H GLU A 522 -0.103 5.289 11.873 1.00 21.31 H new ATOM 0 HA GLU A 522 1.197 2.968 10.627 1.00 35.14 H new ATOM 0 HB2 GLU A 522 -0.837 3.171 12.837 1.00 64.13 H new ATOM 0 HB3 GLU A 522 -0.651 1.713 11.882 1.00 64.13 H new ATOM 0 HG2 GLU A 522 1.745 1.612 12.560 1.00 55.33 H new ATOM 0 HG3 GLU A 522 1.496 3.023 13.570 1.00 55.33 H new ATOM 329 N VAL A 523 -0.510 2.910 8.894 1.00 73.14 N ATOM 330 CA VAL A 523 -1.461 2.871 7.802 1.00 20.42 C ATOM 331 C VAL A 523 -2.001 1.458 7.638 1.00 13.21 C ATOM 332 O VAL A 523 -1.227 0.502 7.597 1.00 62.22 O ATOM 333 CB VAL A 523 -0.804 3.334 6.491 1.00 74.34 C ATOM 334 CG1 VAL A 523 -1.828 3.410 5.359 1.00 52.40 C ATOM 335 CG2 VAL A 523 -0.123 4.674 6.702 1.00 33.12 C ATOM 0 H VAL A 523 0.389 2.479 8.681 1.00 73.14 H new ATOM 0 HA VAL A 523 -2.283 3.548 8.035 1.00 20.42 H new ATOM 0 HB VAL A 523 -0.051 2.601 6.200 1.00 74.34 H new ATOM 0 HG11 VAL A 523 -1.335 3.740 4.444 1.00 52.40 H new ATOM 0 HG12 VAL A 523 -2.268 2.425 5.199 1.00 52.40 H new ATOM 0 HG13 VAL A 523 -2.612 4.119 5.625 1.00 52.40 H new ATOM 0 HG21 VAL A 523 0.341 4.997 5.770 1.00 33.12 H new ATOM 0 HG22 VAL A 523 -0.861 5.412 7.015 1.00 33.12 H new ATOM 0 HG23 VAL A 523 0.641 4.576 7.473 1.00 33.12 H new ATOM 345 N LYS A 524 -3.311 1.346 7.558 1.00 21.40 N ATOM 346 CA LYS A 524 -4.002 0.070 7.449 1.00 4.13 C ATOM 347 C LYS A 524 -3.952 -0.516 6.053 1.00 40.14 C ATOM 348 O LYS A 524 -4.219 0.166 5.045 1.00 61.32 O ATOM 349 CB LYS A 524 -5.451 0.209 7.920 1.00 2.11 C ATOM 350 CG LYS A 524 -5.571 0.419 9.414 1.00 54.22 C ATOM 351 CD LYS A 524 -5.326 -0.877 10.168 1.00 21.11 C ATOM 352 CE LYS A 524 -5.162 -0.649 11.657 1.00 55.35 C ATOM 353 NZ LYS A 524 -6.321 0.025 12.276 1.00 72.34 N ATOM 0 H LYS A 524 -3.939 2.150 7.567 1.00 21.40 H new ATOM 0 HA LYS A 524 -3.474 -0.629 8.097 1.00 4.13 H new ATOM 0 HB2 LYS A 524 -5.916 1.048 7.402 1.00 2.11 H new ATOM 0 HB3 LYS A 524 -6.006 -0.686 7.639 1.00 2.11 H new ATOM 0 HG2 LYS A 524 -4.854 1.173 9.737 1.00 54.22 H new ATOM 0 HG3 LYS A 524 -6.564 0.800 9.653 1.00 54.22 H new ATOM 0 HD2 LYS A 524 -6.159 -1.559 9.996 1.00 21.11 H new ATOM 0 HD3 LYS A 524 -4.432 -1.361 9.775 1.00 21.11 H new ATOM 0 HE2 LYS A 524 -5.003 -1.609 12.149 1.00 55.35 H new ATOM 0 HE3 LYS A 524 -4.268 -0.050 11.830 1.00 55.35 H new ATOM 0 HZ1 LYS A 524 -6.184 0.075 13.306 1.00 72.34 H new ATOM 0 HZ2 LYS A 524 -6.410 0.987 11.891 1.00 72.34 H new ATOM 0 HZ3 LYS A 524 -7.187 -0.512 12.068 1.00 72.34 H new ATOM 367 N VAL A 525 -3.604 -1.775 6.009 1.00 65.42 N ATOM 368 CA VAL A 525 -3.540 -2.535 4.776 1.00 52.31 C ATOM 369 C VAL A 525 -4.597 -3.609 4.852 1.00 34.44 C ATOM 370 O VAL A 525 -4.729 -4.271 5.888 1.00 64.13 O ATOM 371 CB VAL A 525 -2.167 -3.216 4.591 1.00 11.21 C ATOM 372 CG1 VAL A 525 -2.000 -3.763 3.178 1.00 44.42 C ATOM 373 CG2 VAL A 525 -1.056 -2.275 4.937 1.00 54.34 C ATOM 0 H VAL A 525 -3.352 -2.314 6.837 1.00 65.42 H new ATOM 0 HA VAL A 525 -3.696 -1.858 3.936 1.00 52.31 H new ATOM 0 HB VAL A 525 -2.122 -4.062 5.276 1.00 11.21 H new ATOM 0 HG11 VAL A 525 -1.022 -4.235 3.084 1.00 44.42 H new ATOM 0 HG12 VAL A 525 -2.779 -4.499 2.978 1.00 44.42 H new ATOM 0 HG13 VAL A 525 -2.079 -2.947 2.460 1.00 44.42 H new ATOM 0 HG21 VAL A 525 -0.098 -2.777 4.799 1.00 54.34 H new ATOM 0 HG22 VAL A 525 -1.104 -1.401 4.288 1.00 54.34 H new ATOM 0 HG23 VAL A 525 -1.155 -1.961 5.976 1.00 54.34 H new ATOM 383 N LEU A 526 -5.332 -3.785 3.786 1.00 25.01 N ATOM 384 CA LEU A 526 -6.430 -4.715 3.777 1.00 51.41 C ATOM 385 C LEU A 526 -5.955 -6.127 3.521 1.00 5.50 C ATOM 386 O LEU A 526 -4.933 -6.354 2.862 1.00 25.03 O ATOM 387 CB LEU A 526 -7.550 -4.301 2.793 1.00 32.04 C ATOM 388 CG LEU A 526 -8.305 -2.976 3.092 1.00 61.11 C ATOM 389 CD1 LEU A 526 -8.884 -2.951 4.484 1.00 24.24 C ATOM 390 CD2 LEU A 526 -7.434 -1.783 2.887 1.00 5.31 C ATOM 0 H LEU A 526 -5.188 -3.291 2.905 1.00 25.01 H new ATOM 0 HA LEU A 526 -6.871 -4.690 4.774 1.00 51.41 H new ATOM 0 HB2 LEU A 526 -7.113 -4.223 1.797 1.00 32.04 H new ATOM 0 HB3 LEU A 526 -8.283 -5.107 2.757 1.00 32.04 H new ATOM 0 HG LEU A 526 -9.129 -2.933 2.379 1.00 61.11 H new ATOM 0 HD11 LEU A 526 -9.402 -2.006 4.646 1.00 24.24 H new ATOM 0 HD12 LEU A 526 -9.588 -3.775 4.600 1.00 24.24 H new ATOM 0 HD13 LEU A 526 -8.081 -3.055 5.214 1.00 24.24 H new ATOM 0 HD21 LEU A 526 -8.000 -0.877 3.107 1.00 5.31 H new ATOM 0 HD22 LEU A 526 -6.573 -1.843 3.552 1.00 5.31 H new ATOM 0 HD23 LEU A 526 -7.092 -1.755 1.852 1.00 5.31 H new ATOM 402 N ARG A 527 -6.694 -7.049 4.048 1.00 50.41 N ATOM 403 CA ARG A 527 -6.369 -8.445 4.020 1.00 63.55 C ATOM 404 C ARG A 527 -7.121 -9.143 2.898 1.00 31.14 C ATOM 405 O ARG A 527 -8.273 -8.807 2.608 1.00 2.32 O ATOM 406 CB ARG A 527 -6.776 -9.019 5.364 1.00 31.21 C ATOM 407 CG ARG A 527 -6.518 -10.490 5.614 1.00 15.32 C ATOM 408 CD ARG A 527 -7.157 -10.853 6.937 1.00 3.54 C ATOM 409 NE ARG A 527 -6.992 -12.256 7.328 1.00 20.25 N ATOM 410 CZ ARG A 527 -8.023 -13.127 7.444 1.00 52.25 C ATOM 411 NH1 ARG A 527 -9.228 -12.800 6.992 1.00 35.41 N ATOM 412 NH2 ARG A 527 -7.839 -14.312 7.990 1.00 2.32 N ATOM 0 H ARG A 527 -7.572 -6.847 4.527 1.00 50.41 H new ATOM 0 HA ARG A 527 -5.304 -8.592 3.840 1.00 63.55 H new ATOM 0 HB2 ARG A 527 -6.260 -8.453 6.139 1.00 31.21 H new ATOM 0 HB3 ARG A 527 -7.843 -8.840 5.495 1.00 31.21 H new ATOM 0 HG2 ARG A 527 -6.937 -11.094 4.809 1.00 15.32 H new ATOM 0 HG3 ARG A 527 -5.447 -10.691 5.639 1.00 15.32 H new ATOM 0 HD2 ARG A 527 -6.733 -10.220 7.716 1.00 3.54 H new ATOM 0 HD3 ARG A 527 -8.222 -10.626 6.886 1.00 3.54 H new ATOM 0 HE ARG A 527 -6.050 -12.595 7.523 1.00 20.25 H new ATOM 0 HH11 ARG A 527 -9.380 -11.891 6.556 1.00 35.41 H new ATOM 0 HH12 ARG A 527 -10.002 -13.458 7.081 1.00 35.41 H new ATOM 0 HH21 ARG A 527 -6.915 -14.579 8.329 1.00 2.32 H new ATOM 0 HH22 ARG A 527 -8.621 -14.962 8.074 1.00 2.32 H new ATOM 426 N THR A 528 -6.461 -10.098 2.282 1.00 54.41 N ATOM 427 CA THR A 528 -7.032 -10.902 1.232 1.00 54.33 C ATOM 428 C THR A 528 -8.284 -11.662 1.691 1.00 75.24 C ATOM 429 O THR A 528 -8.436 -12.001 2.873 1.00 14.53 O ATOM 430 CB THR A 528 -5.982 -11.909 0.661 1.00 45.20 C ATOM 431 OG1 THR A 528 -6.600 -12.772 -0.296 1.00 54.55 O ATOM 432 CG2 THR A 528 -5.356 -12.752 1.765 1.00 43.22 C ATOM 0 H THR A 528 -5.495 -10.340 2.503 1.00 54.41 H new ATOM 0 HA THR A 528 -7.332 -10.211 0.444 1.00 54.33 H new ATOM 0 HB THR A 528 -5.194 -11.326 0.183 1.00 45.20 H new ATOM 0 HG1 THR A 528 -5.969 -13.474 -0.560 1.00 54.55 H new ATOM 0 HG21 THR A 528 -4.631 -13.440 1.330 1.00 43.22 H new ATOM 0 HG22 THR A 528 -4.854 -12.100 2.480 1.00 43.22 H new ATOM 0 HG23 THR A 528 -6.134 -13.319 2.275 1.00 43.22 H new ATOM 440 N SER A 529 -9.166 -11.916 0.744 1.00 14.23 N ATOM 441 CA SER A 529 -10.362 -12.681 0.969 1.00 12.25 C ATOM 442 C SER A 529 -9.993 -14.177 1.007 1.00 10.14 C ATOM 443 O SER A 529 -10.735 -15.000 1.533 1.00 62.12 O ATOM 444 CB SER A 529 -11.368 -12.383 -0.167 1.00 35.35 C ATOM 445 OG SER A 529 -12.607 -13.055 0.010 1.00 1.45 O ATOM 0 H SER A 529 -9.064 -11.588 -0.216 1.00 14.23 H new ATOM 0 HA SER A 529 -10.823 -12.412 1.919 1.00 12.25 H new ATOM 0 HB2 SER A 529 -11.546 -11.309 -0.217 1.00 35.35 H new ATOM 0 HB3 SER A 529 -10.931 -12.679 -1.121 1.00 35.35 H new ATOM 0 HG SER A 529 -13.208 -12.834 -0.732 1.00 1.45 H new ATOM 451 N GLY A 530 -8.816 -14.498 0.479 1.00 3.21 N ATOM 452 CA GLY A 530 -8.345 -15.861 0.453 1.00 33.45 C ATOM 453 C GLY A 530 -7.189 -16.058 1.403 1.00 54.23 C ATOM 454 O GLY A 530 -6.122 -16.555 1.022 1.00 63.15 O ATOM 0 H GLY A 530 -8.175 -13.822 0.064 1.00 3.21 H new ATOM 0 HA2 GLY A 530 -9.159 -16.535 0.722 1.00 33.45 H new ATOM 0 HA3 GLY A 530 -8.036 -16.122 -0.559 1.00 33.45 H new ATOM 458 N ALA A 531 -7.388 -15.662 2.636 1.00 73.24 N ATOM 459 CA ALA A 531 -6.372 -15.778 3.642 1.00 10.43 C ATOM 460 C ALA A 531 -6.373 -17.176 4.205 1.00 65.42 C ATOM 461 O ALA A 531 -7.154 -17.511 5.089 1.00 24.32 O ATOM 462 CB ALA A 531 -6.562 -14.745 4.734 1.00 23.11 C ATOM 0 H ALA A 531 -8.261 -15.250 2.966 1.00 73.24 H new ATOM 0 HA ALA A 531 -5.401 -15.586 3.185 1.00 10.43 H new ATOM 0 HB1 ALA A 531 -5.777 -14.858 5.482 1.00 23.11 H new ATOM 0 HB2 ALA A 531 -6.511 -13.745 4.302 1.00 23.11 H new ATOM 0 HB3 ALA A 531 -7.535 -14.888 5.205 1.00 23.11 H new ATOM 468 N ARG A 532 -5.558 -17.998 3.620 1.00 44.20 N ATOM 469 CA ARG A 532 -5.419 -19.370 4.001 1.00 3.43 C ATOM 470 C ARG A 532 -3.967 -19.782 4.121 1.00 15.41 C ATOM 471 O ARG A 532 -3.636 -20.961 4.100 1.00 65.00 O ATOM 472 CB ARG A 532 -6.223 -20.261 3.059 1.00 52.34 C ATOM 473 CG ARG A 532 -6.109 -19.956 1.586 1.00 40.03 C ATOM 474 CD ARG A 532 -4.692 -20.079 1.100 1.00 20.13 C ATOM 475 NE ARG A 532 -4.586 -20.056 -0.356 1.00 24.04 N ATOM 476 CZ ARG A 532 -3.458 -20.257 -1.051 1.00 24.12 C ATOM 477 NH1 ARG A 532 -2.343 -20.597 -0.439 1.00 13.35 N ATOM 478 NH2 ARG A 532 -3.466 -20.150 -2.367 1.00 33.44 N ATOM 0 H ARG A 532 -4.955 -17.726 2.844 1.00 44.20 H new ATOM 0 HA ARG A 532 -5.835 -19.498 5.000 1.00 3.43 H new ATOM 0 HB2 ARG A 532 -5.914 -21.294 3.219 1.00 52.34 H new ATOM 0 HB3 ARG A 532 -7.274 -20.196 3.341 1.00 52.34 H new ATOM 0 HG2 ARG A 532 -6.747 -20.637 1.023 1.00 40.03 H new ATOM 0 HG3 ARG A 532 -6.473 -18.947 1.394 1.00 40.03 H new ATOM 0 HD2 ARG A 532 -4.099 -19.264 1.515 1.00 20.13 H new ATOM 0 HD3 ARG A 532 -4.264 -21.008 1.476 1.00 20.13 H new ATOM 0 HE ARG A 532 -5.438 -19.872 -0.886 1.00 24.04 H new ATOM 0 HH11 ARG A 532 -2.332 -20.710 0.575 1.00 13.35 H new ATOM 0 HH12 ARG A 532 -1.491 -20.747 -0.979 1.00 13.35 H new ATOM 0 HH21 ARG A 532 -4.331 -19.914 -2.854 1.00 33.44 H new ATOM 0 HH22 ARG A 532 -2.608 -20.303 -2.896 1.00 33.44 H new ATOM 492 N GLY A 533 -3.117 -18.800 4.279 1.00 13.42 N ATOM 493 CA GLY A 533 -1.713 -19.040 4.359 1.00 63.03 C ATOM 494 C GLY A 533 -1.000 -17.752 4.607 1.00 25.40 C ATOM 495 O GLY A 533 -1.649 -16.705 4.714 1.00 24.10 O ATOM 0 H GLY A 533 -3.384 -17.819 4.355 1.00 13.42 H new ATOM 0 HA2 GLY A 533 -1.499 -19.746 5.161 1.00 63.03 H new ATOM 0 HA3 GLY A 533 -1.357 -19.492 3.433 1.00 63.03 H new ATOM 499 N ASN A 534 0.295 -17.811 4.692 1.00 35.24 N ATOM 500 CA ASN A 534 1.116 -16.650 4.944 1.00 11.34 C ATOM 501 C ASN A 534 1.522 -16.007 3.636 1.00 3.03 C ATOM 502 O ASN A 534 2.046 -16.664 2.745 1.00 74.15 O ATOM 503 CB ASN A 534 2.351 -17.051 5.773 1.00 20.24 C ATOM 504 CG ASN A 534 3.349 -15.914 6.074 1.00 11.45 C ATOM 505 OD1 ASN A 534 4.545 -16.156 6.225 1.00 32.11 O ATOM 506 ND2 ASN A 534 2.892 -14.696 6.204 1.00 64.43 N ATOM 0 H ASN A 534 0.825 -18.676 4.588 1.00 35.24 H new ATOM 0 HA ASN A 534 0.543 -15.920 5.516 1.00 11.34 H new ATOM 0 HB2 ASN A 534 2.010 -17.471 6.719 1.00 20.24 H new ATOM 0 HB3 ASN A 534 2.880 -17.844 5.244 1.00 20.24 H new ATOM 0 HD21 ASN A 534 3.530 -13.934 6.433 1.00 64.43 H new ATOM 0 HD22 ASN A 534 1.898 -14.508 6.076 1.00 64.43 H new ATOM 513 N VAL A 535 1.229 -14.749 3.513 1.00 72.10 N ATOM 514 CA VAL A 535 1.595 -13.974 2.372 1.00 72.22 C ATOM 515 C VAL A 535 2.388 -12.795 2.861 1.00 3.22 C ATOM 516 O VAL A 535 1.973 -12.098 3.795 1.00 63.02 O ATOM 517 CB VAL A 535 0.359 -13.473 1.576 1.00 63.44 C ATOM 518 CG1 VAL A 535 0.788 -12.675 0.355 1.00 14.51 C ATOM 519 CG2 VAL A 535 -0.501 -14.634 1.147 1.00 54.00 C ATOM 0 H VAL A 535 0.717 -14.222 4.221 1.00 72.10 H new ATOM 0 HA VAL A 535 2.176 -14.599 1.694 1.00 72.22 H new ATOM 0 HB VAL A 535 -0.220 -12.824 2.233 1.00 63.44 H new ATOM 0 HG11 VAL A 535 -0.095 -12.335 -0.186 1.00 14.51 H new ATOM 0 HG12 VAL A 535 1.374 -11.812 0.672 1.00 14.51 H new ATOM 0 HG13 VAL A 535 1.393 -13.305 -0.297 1.00 14.51 H new ATOM 0 HG21 VAL A 535 -1.362 -14.263 0.591 1.00 54.00 H new ATOM 0 HG22 VAL A 535 0.081 -15.303 0.512 1.00 54.00 H new ATOM 0 HG23 VAL A 535 -0.844 -15.177 2.027 1.00 54.00 H new ATOM 529 N ILE A 536 3.522 -12.600 2.290 1.00 12.33 N ATOM 530 CA ILE A 536 4.361 -11.509 2.668 1.00 51.22 C ATOM 531 C ILE A 536 4.193 -10.381 1.680 1.00 2.33 C ATOM 532 O ILE A 536 4.109 -10.616 0.467 1.00 72.21 O ATOM 533 CB ILE A 536 5.848 -11.941 2.781 1.00 14.45 C ATOM 534 CG1 ILE A 536 6.017 -13.012 3.855 1.00 60.52 C ATOM 535 CG2 ILE A 536 6.734 -10.766 3.086 1.00 24.21 C ATOM 536 CD1 ILE A 536 5.550 -12.574 5.223 1.00 21.40 C ATOM 0 H ILE A 536 3.899 -13.189 1.547 1.00 12.33 H new ATOM 0 HA ILE A 536 4.059 -11.164 3.657 1.00 51.22 H new ATOM 0 HB ILE A 536 6.145 -12.355 1.818 1.00 14.45 H new ATOM 0 HG12 ILE A 536 5.463 -13.903 3.559 1.00 60.52 H new ATOM 0 HG13 ILE A 536 7.068 -13.295 3.912 1.00 60.52 H new ATOM 0 HG21 ILE A 536 7.769 -11.100 3.159 1.00 24.21 H new ATOM 0 HG22 ILE A 536 6.646 -10.028 2.289 1.00 24.21 H new ATOM 0 HG23 ILE A 536 6.430 -10.317 4.032 1.00 24.21 H new ATOM 0 HD11 ILE A 536 5.700 -13.385 5.936 1.00 21.40 H new ATOM 0 HD12 ILE A 536 6.121 -11.702 5.540 1.00 21.40 H new ATOM 0 HD13 ILE A 536 4.491 -12.319 5.182 1.00 21.40 H new ATOM 548 N VAL A 537 4.081 -9.183 2.190 1.00 72.30 N ATOM 549 CA VAL A 537 3.911 -8.020 1.355 1.00 35.03 C ATOM 550 C VAL A 537 5.073 -7.041 1.591 1.00 4.22 C ATOM 551 O VAL A 537 5.179 -6.459 2.666 1.00 65.24 O ATOM 552 CB VAL A 537 2.562 -7.295 1.639 1.00 54.10 C ATOM 553 CG1 VAL A 537 2.353 -6.134 0.678 1.00 65.21 C ATOM 554 CG2 VAL A 537 1.385 -8.262 1.573 1.00 54.54 C ATOM 0 H VAL A 537 4.105 -8.985 3.190 1.00 72.30 H new ATOM 0 HA VAL A 537 3.902 -8.355 0.318 1.00 35.03 H new ATOM 0 HB VAL A 537 2.613 -6.897 2.652 1.00 54.10 H new ATOM 0 HG11 VAL A 537 1.404 -5.646 0.898 1.00 65.21 H new ATOM 0 HG12 VAL A 537 3.166 -5.416 0.792 1.00 65.21 H new ATOM 0 HG13 VAL A 537 2.340 -6.507 -0.346 1.00 65.21 H new ATOM 0 HG21 VAL A 537 0.460 -7.723 1.776 1.00 54.54 H new ATOM 0 HG22 VAL A 537 1.335 -8.707 0.579 1.00 54.54 H new ATOM 0 HG23 VAL A 537 1.518 -9.048 2.316 1.00 54.54 H new ATOM 564 N PRO A 538 5.977 -6.886 0.622 1.00 43.20 N ATOM 565 CA PRO A 538 7.099 -5.954 0.745 1.00 10.12 C ATOM 566 C PRO A 538 6.642 -4.493 0.594 1.00 33.15 C ATOM 567 O PRO A 538 5.750 -4.199 -0.192 1.00 54.34 O ATOM 568 CB PRO A 538 8.025 -6.352 -0.410 1.00 31.13 C ATOM 569 CG PRO A 538 7.140 -7.002 -1.419 1.00 45.15 C ATOM 570 CD PRO A 538 5.985 -7.607 -0.667 1.00 72.00 C ATOM 0 HA PRO A 538 7.579 -6.010 1.722 1.00 10.12 H new ATOM 0 HB2 PRO A 538 8.526 -5.480 -0.830 1.00 31.13 H new ATOM 0 HB3 PRO A 538 8.804 -7.035 -0.072 1.00 31.13 H new ATOM 0 HG2 PRO A 538 6.786 -6.273 -2.148 1.00 45.15 H new ATOM 0 HG3 PRO A 538 7.684 -7.768 -1.972 1.00 45.15 H new ATOM 0 HD2 PRO A 538 5.046 -7.474 -1.204 1.00 72.00 H new ATOM 0 HD3 PRO A 538 6.121 -8.679 -0.523 1.00 72.00 H new ATOM 578 N TYR A 539 7.246 -3.592 1.341 1.00 22.14 N ATOM 579 CA TYR A 539 6.886 -2.180 1.278 1.00 52.12 C ATOM 580 C TYR A 539 8.122 -1.334 1.460 1.00 13.31 C ATOM 581 O TYR A 539 9.133 -1.830 1.989 1.00 41.51 O ATOM 582 CB TYR A 539 5.837 -1.814 2.349 1.00 30.11 C ATOM 583 CG TYR A 539 6.329 -1.869 3.788 1.00 41.32 C ATOM 584 CD1 TYR A 539 6.322 -3.053 4.493 1.00 13.24 C ATOM 585 CD2 TYR A 539 6.782 -0.719 4.437 1.00 63.13 C ATOM 586 CE1 TYR A 539 6.750 -3.106 5.798 1.00 61.53 C ATOM 587 CE2 TYR A 539 7.216 -0.762 5.744 1.00 74.11 C ATOM 588 CZ TYR A 539 7.198 -1.960 6.422 1.00 5.30 C ATOM 589 OH TYR A 539 7.629 -2.017 7.729 1.00 21.13 O ATOM 0 H TYR A 539 7.992 -3.808 2.003 1.00 22.14 H new ATOM 0 HA TYR A 539 6.446 -1.986 0.300 1.00 52.12 H new ATOM 0 HB2 TYR A 539 5.471 -0.808 2.146 1.00 30.11 H new ATOM 0 HB3 TYR A 539 4.987 -2.489 2.247 1.00 30.11 H new ATOM 0 HD1 TYR A 539 5.974 -3.955 4.012 1.00 13.24 H new ATOM 0 HD2 TYR A 539 6.792 0.221 3.905 1.00 63.13 H new ATOM 0 HE1 TYR A 539 6.736 -4.043 6.334 1.00 61.53 H new ATOM 0 HE2 TYR A 539 7.567 0.135 6.232 1.00 74.11 H new ATOM 0 HH TYR A 539 7.913 -1.125 8.019 1.00 21.13 H new ATOM 599 N LYS A 540 8.049 -0.082 1.046 1.00 23.35 N ATOM 600 CA LYS A 540 9.161 0.840 1.164 1.00 70.42 C ATOM 601 C LYS A 540 8.671 2.288 1.069 1.00 4.24 C ATOM 602 O LYS A 540 7.553 2.539 0.588 1.00 45.43 O ATOM 603 CB LYS A 540 10.179 0.567 0.061 1.00 15.02 C ATOM 604 CG LYS A 540 9.624 0.746 -1.333 1.00 22.24 C ATOM 605 CD LYS A 540 10.675 0.496 -2.370 1.00 1.20 C ATOM 606 CE LYS A 540 10.124 0.740 -3.749 1.00 61.32 C ATOM 607 NZ LYS A 540 11.128 0.518 -4.806 1.00 42.41 N ATOM 0 H LYS A 540 7.216 0.323 0.619 1.00 23.35 H new ATOM 0 HA LYS A 540 9.632 0.694 2.136 1.00 70.42 H new ATOM 0 HB2 LYS A 540 11.031 1.234 0.192 1.00 15.02 H new ATOM 0 HB3 LYS A 540 10.552 -0.452 0.166 1.00 15.02 H new ATOM 0 HG2 LYS A 540 8.789 0.062 -1.485 1.00 22.24 H new ATOM 0 HG3 LYS A 540 9.233 1.757 -1.444 1.00 22.24 H new ATOM 0 HD2 LYS A 540 11.531 1.148 -2.193 1.00 1.20 H new ATOM 0 HD3 LYS A 540 11.034 -0.530 -2.292 1.00 1.20 H new ATOM 0 HE2 LYS A 540 9.272 0.082 -3.918 1.00 61.32 H new ATOM 0 HE3 LYS A 540 9.754 1.763 -3.813 1.00 61.32 H new ATOM 0 HZ1 LYS A 540 10.699 0.699 -5.736 1.00 42.41 H new ATOM 0 HZ2 LYS A 540 11.931 1.164 -4.663 1.00 42.41 H new ATOM 0 HZ3 LYS A 540 11.463 -0.466 -4.765 1.00 42.41 H new ATOM 621 N THR A 541 9.486 3.210 1.547 1.00 71.43 N ATOM 622 CA THR A 541 9.205 4.630 1.470 1.00 14.11 C ATOM 623 C THR A 541 9.972 5.295 0.316 1.00 53.24 C ATOM 624 O THR A 541 11.199 5.452 0.371 1.00 35.32 O ATOM 625 CB THR A 541 9.564 5.343 2.797 1.00 61.42 C ATOM 626 OG1 THR A 541 10.783 4.804 3.347 1.00 14.44 O ATOM 627 CG2 THR A 541 8.467 5.226 3.828 1.00 52.10 C ATOM 0 H THR A 541 10.371 2.991 2.004 1.00 71.43 H new ATOM 0 HA THR A 541 8.135 4.730 1.286 1.00 14.11 H new ATOM 0 HB THR A 541 9.695 6.398 2.557 1.00 61.42 H new ATOM 0 HG1 THR A 541 11.511 4.917 2.701 1.00 14.44 H new ATOM 0 HG21 THR A 541 8.768 5.742 4.740 1.00 52.10 H new ATOM 0 HG22 THR A 541 7.554 5.677 3.440 1.00 52.10 H new ATOM 0 HG23 THR A 541 8.287 4.174 4.049 1.00 52.10 H new ATOM 635 N ILE A 542 9.266 5.662 -0.716 1.00 54.24 N ATOM 636 CA ILE A 542 9.865 6.335 -1.853 1.00 20.43 C ATOM 637 C ILE A 542 9.992 7.808 -1.494 1.00 33.54 C ATOM 638 O ILE A 542 9.010 8.410 -1.061 1.00 21.31 O ATOM 639 CB ILE A 542 9.008 6.210 -3.172 1.00 23.35 C ATOM 640 CG1 ILE A 542 8.801 4.750 -3.643 1.00 73.23 C ATOM 641 CG2 ILE A 542 9.614 7.029 -4.304 1.00 52.11 C ATOM 642 CD1 ILE A 542 7.809 3.942 -2.836 1.00 74.21 C ATOM 0 H ILE A 542 8.261 5.508 -0.801 1.00 54.24 H new ATOM 0 HA ILE A 542 10.828 5.866 -2.056 1.00 20.43 H new ATOM 0 HB ILE A 542 8.026 6.607 -2.915 1.00 23.35 H new ATOM 0 HG12 ILE A 542 8.472 4.765 -4.682 1.00 73.23 H new ATOM 0 HG13 ILE A 542 9.764 4.239 -3.621 1.00 73.23 H new ATOM 0 HG21 ILE A 542 9.001 6.922 -5.199 1.00 52.11 H new ATOM 0 HG22 ILE A 542 9.652 8.079 -4.013 1.00 52.11 H new ATOM 0 HG23 ILE A 542 10.623 6.673 -4.511 1.00 52.11 H new ATOM 0 HD11 ILE A 542 7.738 2.936 -3.248 1.00 74.21 H new ATOM 0 HD12 ILE A 542 8.142 3.887 -1.800 1.00 74.21 H new ATOM 0 HD13 ILE A 542 6.831 4.421 -2.878 1.00 74.21 H new ATOM 654 N GLU A 543 11.184 8.368 -1.655 1.00 33.13 N ATOM 655 CA GLU A 543 11.438 9.765 -1.315 1.00 14.42 C ATOM 656 C GLU A 543 10.613 10.701 -2.183 1.00 11.44 C ATOM 657 O GLU A 543 9.770 11.448 -1.672 1.00 51.03 O ATOM 658 CB GLU A 543 12.924 10.103 -1.442 1.00 64.31 C ATOM 659 CG GLU A 543 13.813 9.303 -0.521 1.00 1.43 C ATOM 660 CD GLU A 543 15.265 9.689 -0.618 1.00 24.23 C ATOM 661 OE1 GLU A 543 15.998 9.093 -1.440 1.00 13.31 O ATOM 662 OE2 GLU A 543 15.712 10.561 0.146 1.00 72.51 O ATOM 0 H GLU A 543 11.997 7.873 -2.022 1.00 33.13 H new ATOM 0 HA GLU A 543 11.139 9.906 -0.276 1.00 14.42 H new ATOM 0 HB2 GLU A 543 13.238 9.934 -2.472 1.00 64.31 H new ATOM 0 HB3 GLU A 543 13.064 11.164 -1.236 1.00 64.31 H new ATOM 0 HG2 GLU A 543 13.476 9.437 0.507 1.00 1.43 H new ATOM 0 HG3 GLU A 543 13.709 8.244 -0.755 1.00 1.43 H new ATOM 669 N GLY A 544 10.864 10.667 -3.488 1.00 44.43 N ATOM 670 CA GLY A 544 10.132 11.494 -4.431 1.00 75.40 C ATOM 671 C GLY A 544 10.528 12.954 -4.340 1.00 62.51 C ATOM 672 O GLY A 544 11.198 13.486 -5.220 1.00 50.12 O ATOM 0 H GLY A 544 11.573 10.071 -3.915 1.00 44.43 H new ATOM 0 HA2 GLY A 544 10.312 11.133 -5.444 1.00 75.40 H new ATOM 0 HA3 GLY A 544 9.063 11.397 -4.243 1.00 75.40 H new ATOM 676 N THR A 545 10.109 13.585 -3.286 1.00 20.04 N ATOM 677 CA THR A 545 10.424 14.957 -3.031 1.00 1.32 C ATOM 678 C THR A 545 10.759 15.159 -1.539 1.00 71.10 C ATOM 679 O THR A 545 11.074 16.269 -1.102 1.00 40.41 O ATOM 680 CB THR A 545 9.272 15.894 -3.501 1.00 4.31 C ATOM 681 OG1 THR A 545 9.552 17.276 -3.195 1.00 21.45 O ATOM 682 CG2 THR A 545 7.947 15.486 -2.889 1.00 3.02 C ATOM 0 H THR A 545 9.529 13.153 -2.567 1.00 20.04 H new ATOM 0 HA THR A 545 11.307 15.226 -3.610 1.00 1.32 H new ATOM 0 HB THR A 545 9.202 15.791 -4.584 1.00 4.31 H new ATOM 0 HG1 THR A 545 10.111 17.326 -2.391 1.00 21.45 H new ATOM 0 HG21 THR A 545 7.163 16.159 -3.236 1.00 3.02 H new ATOM 0 HG22 THR A 545 7.707 14.465 -3.187 1.00 3.02 H new ATOM 0 HG23 THR A 545 8.016 15.540 -1.803 1.00 3.02 H new ATOM 690 N ALA A 546 10.662 14.092 -0.764 1.00 20.31 N ATOM 691 CA ALA A 546 11.055 14.120 0.615 1.00 31.33 C ATOM 692 C ALA A 546 12.481 13.592 0.735 1.00 70.21 C ATOM 693 O ALA A 546 13.038 13.082 -0.237 1.00 21.24 O ATOM 694 CB ALA A 546 10.103 13.293 1.445 1.00 52.22 C ATOM 0 H ALA A 546 10.308 13.190 -1.082 1.00 20.31 H new ATOM 0 HA ALA A 546 11.021 15.144 0.988 1.00 31.33 H new ATOM 0 HB1 ALA A 546 10.412 13.322 2.490 1.00 52.22 H new ATOM 0 HB2 ALA A 546 9.095 13.697 1.353 1.00 52.22 H new ATOM 0 HB3 ALA A 546 10.114 12.262 1.092 1.00 52.22 H new ATOM 700 N ARG A 547 13.065 13.714 1.895 1.00 33.30 N ATOM 701 CA ARG A 547 14.426 13.284 2.098 1.00 33.13 C ATOM 702 C ARG A 547 14.437 12.127 3.110 1.00 30.13 C ATOM 703 O ARG A 547 14.100 12.314 4.301 1.00 13.33 O ATOM 704 CB ARG A 547 15.237 14.471 2.617 1.00 73.32 C ATOM 705 CG ARG A 547 16.704 14.470 2.242 1.00 44.23 C ATOM 706 CD ARG A 547 16.882 14.605 0.747 1.00 54.35 C ATOM 707 NE ARG A 547 18.270 14.882 0.381 1.00 44.42 N ATOM 708 CZ ARG A 547 18.664 15.860 -0.452 1.00 12.14 C ATOM 709 NH1 ARG A 547 17.770 16.642 -1.059 1.00 4.52 N ATOM 710 NH2 ARG A 547 19.942 16.045 -0.682 1.00 4.42 N ATOM 0 H ARG A 547 12.618 14.110 2.722 1.00 33.30 H new ATOM 0 HA ARG A 547 14.868 12.933 1.165 1.00 33.13 H new ATOM 0 HB2 ARG A 547 14.785 15.389 2.243 1.00 73.32 H new ATOM 0 HB3 ARG A 547 15.157 14.496 3.704 1.00 73.32 H new ATOM 0 HG2 ARG A 547 17.213 15.291 2.748 1.00 44.23 H new ATOM 0 HG3 ARG A 547 17.170 13.546 2.585 1.00 44.23 H new ATOM 0 HD2 ARG A 547 16.555 13.687 0.259 1.00 54.35 H new ATOM 0 HD3 ARG A 547 16.243 15.407 0.377 1.00 54.35 H new ATOM 0 HE ARG A 547 18.993 14.289 0.788 1.00 44.42 H new ATOM 0 HH11 ARG A 547 16.773 16.501 -0.893 1.00 4.52 H new ATOM 0 HH12 ARG A 547 18.083 17.381 -1.689 1.00 4.52 H new ATOM 0 HH21 ARG A 547 20.633 15.447 -0.229 1.00 4.42 H new ATOM 0 HH22 ARG A 547 20.244 16.786 -1.314 1.00 4.42 H new ATOM 724 N GLY A 548 14.785 10.947 2.646 1.00 51.22 N ATOM 725 CA GLY A 548 14.755 9.769 3.484 1.00 20.35 C ATOM 726 C GLY A 548 16.083 9.439 4.095 1.00 52.35 C ATOM 727 O GLY A 548 17.107 9.984 3.695 1.00 25.41 O ATOM 0 H GLY A 548 15.093 10.778 1.689 1.00 51.22 H new ATOM 0 HA2 GLY A 548 14.024 9.916 4.279 1.00 20.35 H new ATOM 0 HA3 GLY A 548 14.415 8.920 2.892 1.00 20.35 H new ATOM 731 N GLY A 549 16.063 8.551 5.066 1.00 23.25 N ATOM 732 CA GLY A 549 17.279 8.151 5.736 1.00 10.12 C ATOM 733 C GLY A 549 17.435 8.849 7.061 1.00 50.32 C ATOM 734 O GLY A 549 18.541 9.017 7.563 1.00 22.42 O ATOM 0 H GLY A 549 15.218 8.093 5.408 1.00 23.25 H new ATOM 0 HA2 GLY A 549 17.272 7.072 5.891 1.00 10.12 H new ATOM 0 HA3 GLY A 549 18.136 8.377 5.102 1.00 10.12 H new ATOM 738 N GLY A 550 16.317 9.290 7.619 1.00 33.33 N ATOM 739 CA GLY A 550 16.343 9.964 8.894 1.00 54.34 C ATOM 740 C GLY A 550 16.486 11.455 8.725 1.00 62.13 C ATOM 741 O GLY A 550 16.645 12.179 9.693 1.00 42.14 O ATOM 0 H GLY A 550 15.389 9.191 7.206 1.00 33.33 H new ATOM 0 HA2 GLY A 550 15.427 9.745 9.442 1.00 54.34 H new ATOM 0 HA3 GLY A 550 17.171 9.583 9.492 1.00 54.34 H new ATOM 745 N GLU A 551 16.429 11.905 7.483 1.00 12.33 N ATOM 746 CA GLU A 551 16.575 13.313 7.161 1.00 60.12 C ATOM 747 C GLU A 551 15.281 14.055 7.508 1.00 52.22 C ATOM 748 O GLU A 551 15.217 14.786 8.485 1.00 14.51 O ATOM 749 CB GLU A 551 16.842 13.468 5.671 1.00 23.12 C ATOM 750 CG GLU A 551 18.008 12.672 5.127 1.00 75.31 C ATOM 751 CD GLU A 551 19.350 13.152 5.596 1.00 74.30 C ATOM 752 OE1 GLU A 551 19.887 14.097 4.980 1.00 52.33 O ATOM 753 OE2 GLU A 551 19.918 12.558 6.536 1.00 52.51 O ATOM 0 H GLU A 551 16.280 11.305 6.671 1.00 12.33 H new ATOM 0 HA GLU A 551 17.405 13.727 7.733 1.00 60.12 H new ATOM 0 HB2 GLU A 551 15.943 13.178 5.127 1.00 23.12 H new ATOM 0 HB3 GLU A 551 17.016 14.523 5.460 1.00 23.12 H new ATOM 0 HG2 GLU A 551 17.887 11.628 5.415 1.00 75.31 H new ATOM 0 HG3 GLU A 551 17.982 12.708 4.038 1.00 75.31 H new ATOM 760 N ASP A 552 14.243 13.811 6.722 1.00 53.32 N ATOM 761 CA ASP A 552 12.939 14.429 6.962 1.00 1.11 C ATOM 762 C ASP A 552 11.996 13.329 7.397 1.00 23.00 C ATOM 763 O ASP A 552 11.033 13.546 8.125 1.00 12.44 O ATOM 764 CB ASP A 552 12.405 15.105 5.683 1.00 25.13 C ATOM 765 CG ASP A 552 11.671 16.420 5.954 1.00 60.11 C ATOM 766 OD1 ASP A 552 11.411 16.799 7.059 1.00 62.33 O ATOM 767 OD2 ASP A 552 11.429 17.231 5.059 1.00 10.42 O ATOM 0 H ASP A 552 14.274 13.191 5.913 1.00 53.32 H new ATOM 0 HA ASP A 552 13.024 15.200 7.728 1.00 1.11 H new ATOM 0 HB2 ASP A 552 13.238 15.295 5.006 1.00 25.13 H new ATOM 0 HB3 ASP A 552 11.729 14.419 5.173 1.00 25.13 H new ATOM 772 N PHE A 553 12.293 12.123 6.939 1.00 5.44 N ATOM 773 CA PHE A 553 11.565 10.959 7.352 1.00 23.14 C ATOM 774 C PHE A 553 12.527 9.806 7.510 1.00 2.23 C ATOM 775 O PHE A 553 13.627 9.801 6.904 1.00 20.03 O ATOM 776 CB PHE A 553 10.445 10.579 6.369 1.00 31.01 C ATOM 777 CG PHE A 553 10.880 9.992 5.042 1.00 50.42 C ATOM 778 CD1 PHE A 553 11.129 10.795 3.949 1.00 71.12 C ATOM 779 CD2 PHE A 553 10.994 8.623 4.893 1.00 2.52 C ATOM 780 CE1 PHE A 553 11.478 10.242 2.730 1.00 64.12 C ATOM 781 CE2 PHE A 553 11.354 8.067 3.687 1.00 33.04 C ATOM 782 CZ PHE A 553 11.591 8.875 2.602 1.00 72.32 C ATOM 0 H PHE A 553 13.044 11.936 6.274 1.00 5.44 H new ATOM 0 HA PHE A 553 11.084 11.189 8.303 1.00 23.14 H new ATOM 0 HB2 PHE A 553 9.789 9.861 6.861 1.00 31.01 H new ATOM 0 HB3 PHE A 553 9.850 11.470 6.169 1.00 31.01 H new ATOM 0 HD1 PHE A 553 11.051 11.868 4.046 1.00 71.12 H new ATOM 0 HD2 PHE A 553 10.797 7.979 5.737 1.00 2.52 H new ATOM 0 HE1 PHE A 553 11.662 10.881 1.879 1.00 64.12 H new ATOM 0 HE2 PHE A 553 11.450 6.995 3.594 1.00 33.04 H new ATOM 0 HZ PHE A 553 11.865 8.440 1.652 1.00 72.32 H new ATOM 792 N GLU A 554 12.143 8.853 8.298 1.00 61.02 N ATOM 793 CA GLU A 554 12.926 7.682 8.523 1.00 0.42 C ATOM 794 C GLU A 554 12.483 6.658 7.465 1.00 50.43 C ATOM 795 O GLU A 554 11.285 6.369 7.337 1.00 4.33 O ATOM 796 CB GLU A 554 12.630 7.210 9.944 1.00 45.11 C ATOM 797 CG GLU A 554 13.648 6.294 10.592 1.00 74.14 C ATOM 798 CD GLU A 554 13.831 4.998 9.884 1.00 24.34 C ATOM 799 OE1 GLU A 554 13.039 4.075 10.129 1.00 74.21 O ATOM 800 OE2 GLU A 554 14.753 4.892 9.063 1.00 3.31 O ATOM 0 H GLU A 554 11.262 8.868 8.811 1.00 61.02 H new ATOM 0 HA GLU A 554 14.000 7.843 8.434 1.00 0.42 H new ATOM 0 HB2 GLU A 554 12.516 8.091 10.576 1.00 45.11 H new ATOM 0 HB3 GLU A 554 11.669 6.696 9.937 1.00 45.11 H new ATOM 0 HG2 GLU A 554 14.607 6.809 10.640 1.00 74.14 H new ATOM 0 HG3 GLU A 554 13.342 6.095 11.619 1.00 74.14 H new ATOM 807 N ASP A 555 13.434 6.127 6.726 1.00 41.41 N ATOM 808 CA ASP A 555 13.146 5.252 5.586 1.00 13.10 C ATOM 809 C ASP A 555 12.810 3.852 6.027 1.00 24.21 C ATOM 810 O ASP A 555 13.671 3.124 6.525 1.00 61.34 O ATOM 811 CB ASP A 555 14.328 5.213 4.608 1.00 74.23 C ATOM 812 CG ASP A 555 14.103 4.242 3.458 1.00 74.22 C ATOM 813 OD1 ASP A 555 13.371 4.590 2.525 1.00 31.42 O ATOM 814 OD2 ASP A 555 14.688 3.139 3.456 1.00 43.40 O ATOM 0 H ASP A 555 14.429 6.283 6.890 1.00 41.41 H new ATOM 0 HA ASP A 555 12.277 5.671 5.079 1.00 13.10 H new ATOM 0 HB2 ASP A 555 14.497 6.213 4.207 1.00 74.23 H new ATOM 0 HB3 ASP A 555 15.232 4.929 5.147 1.00 74.23 H new ATOM 819 N THR A 556 11.584 3.469 5.835 1.00 12.20 N ATOM 820 CA THR A 556 11.163 2.173 6.229 1.00 3.01 C ATOM 821 C THR A 556 10.909 1.315 5.006 1.00 73.54 C ATOM 822 O THR A 556 10.150 1.672 4.093 1.00 12.42 O ATOM 823 CB THR A 556 9.934 2.187 7.197 1.00 71.41 C ATOM 824 OG1 THR A 556 9.610 0.860 7.653 1.00 75.44 O ATOM 825 CG2 THR A 556 8.710 2.809 6.562 1.00 65.13 C ATOM 0 H THR A 556 10.860 4.044 5.405 1.00 12.20 H new ATOM 0 HA THR A 556 11.976 1.732 6.806 1.00 3.01 H new ATOM 0 HB THR A 556 10.227 2.800 8.049 1.00 71.41 H new ATOM 0 HG1 THR A 556 8.839 0.901 8.257 1.00 75.44 H new ATOM 0 HG21 THR A 556 7.884 2.795 7.273 1.00 65.13 H new ATOM 0 HG22 THR A 556 8.930 3.839 6.281 1.00 65.13 H new ATOM 0 HG23 THR A 556 8.433 2.242 5.674 1.00 65.13 H new ATOM 833 N CYS A 557 11.589 0.235 4.967 1.00 1.44 N ATOM 834 CA CYS A 557 11.472 -0.719 3.935 1.00 14.42 C ATOM 835 C CYS A 557 11.585 -2.086 4.554 1.00 52.34 C ATOM 836 O CYS A 557 12.444 -2.314 5.415 1.00 34.35 O ATOM 837 CB CYS A 557 12.523 -0.453 2.845 1.00 73.50 C ATOM 838 SG CYS A 557 14.145 0.037 3.485 1.00 14.12 S ATOM 0 H CYS A 557 12.270 -0.019 5.682 1.00 1.44 H new ATOM 0 HA CYS A 557 10.505 -0.651 3.436 1.00 14.42 H new ATOM 0 HB2 CYS A 557 12.640 -1.353 2.241 1.00 73.50 H new ATOM 0 HB3 CYS A 557 12.154 0.330 2.183 1.00 73.50 H new ATOM 0 HG CYS A 557 14.263 1.330 3.425 1.00 14.12 H new ATOM 844 N GLY A 558 10.698 -2.959 4.188 1.00 74.42 N ATOM 845 CA GLY A 558 10.665 -4.257 4.767 1.00 2.20 C ATOM 846 C GLY A 558 9.559 -5.057 4.179 1.00 50.52 C ATOM 847 O GLY A 558 9.177 -4.823 3.019 1.00 4.43 O ATOM 0 H GLY A 558 9.981 -2.789 3.482 1.00 74.42 H new ATOM 0 HA2 GLY A 558 11.617 -4.761 4.599 1.00 2.20 H new ATOM 0 HA3 GLY A 558 10.532 -4.178 5.846 1.00 2.20 H new ATOM 851 N GLU A 559 9.005 -5.943 4.955 1.00 2.53 N ATOM 852 CA GLU A 559 7.978 -6.850 4.503 1.00 73.52 C ATOM 853 C GLU A 559 6.937 -7.091 5.613 1.00 21.11 C ATOM 854 O GLU A 559 7.289 -7.308 6.776 1.00 11.43 O ATOM 855 CB GLU A 559 8.613 -8.177 4.051 1.00 32.42 C ATOM 856 CG GLU A 559 9.439 -8.109 2.760 1.00 44.15 C ATOM 857 CD GLU A 559 10.069 -9.437 2.377 1.00 15.31 C ATOM 858 OE1 GLU A 559 11.164 -9.756 2.876 1.00 23.34 O ATOM 859 OE2 GLU A 559 9.497 -10.181 1.553 1.00 53.14 O ATOM 0 H GLU A 559 9.255 -6.061 5.937 1.00 2.53 H new ATOM 0 HA GLU A 559 7.463 -6.402 3.653 1.00 73.52 H new ATOM 0 HB2 GLU A 559 9.254 -8.544 4.853 1.00 32.42 H new ATOM 0 HB3 GLU A 559 7.819 -8.912 3.915 1.00 32.42 H new ATOM 0 HG2 GLU A 559 8.799 -7.770 1.945 1.00 44.15 H new ATOM 0 HG3 GLU A 559 10.225 -7.363 2.879 1.00 44.15 H new ATOM 866 N LEU A 560 5.676 -7.019 5.250 1.00 15.14 N ATOM 867 CA LEU A 560 4.561 -7.229 6.173 1.00 5.10 C ATOM 868 C LEU A 560 4.104 -8.675 6.119 1.00 60.15 C ATOM 869 O LEU A 560 4.137 -9.303 5.051 1.00 50.40 O ATOM 870 CB LEU A 560 3.385 -6.324 5.796 1.00 74.30 C ATOM 871 CG LEU A 560 3.622 -4.821 5.897 1.00 21.40 C ATOM 872 CD1 LEU A 560 2.468 -4.069 5.287 1.00 41.45 C ATOM 873 CD2 LEU A 560 3.805 -4.396 7.346 1.00 73.04 C ATOM 0 H LEU A 560 5.382 -6.811 4.296 1.00 15.14 H new ATOM 0 HA LEU A 560 4.900 -6.988 7.181 1.00 5.10 H new ATOM 0 HB2 LEU A 560 3.092 -6.555 4.772 1.00 74.30 H new ATOM 0 HB3 LEU A 560 2.540 -6.580 6.435 1.00 74.30 H new ATOM 0 HG LEU A 560 4.534 -4.585 5.349 1.00 21.40 H new ATOM 0 HD11 LEU A 560 2.650 -2.997 5.366 1.00 41.45 H new ATOM 0 HD12 LEU A 560 2.369 -4.344 4.237 1.00 41.45 H new ATOM 0 HD13 LEU A 560 1.549 -4.321 5.816 1.00 41.45 H new ATOM 0 HD21 LEU A 560 3.972 -3.320 7.391 1.00 73.04 H new ATOM 0 HD22 LEU A 560 2.910 -4.648 7.915 1.00 73.04 H new ATOM 0 HD23 LEU A 560 4.664 -4.915 7.772 1.00 73.04 H new ATOM 885 N GLU A 561 3.665 -9.193 7.244 1.00 50.43 N ATOM 886 CA GLU A 561 3.228 -10.559 7.341 1.00 5.02 C ATOM 887 C GLU A 561 1.700 -10.662 7.432 1.00 42.15 C ATOM 888 O GLU A 561 1.088 -10.207 8.401 1.00 43.22 O ATOM 889 CB GLU A 561 3.877 -11.216 8.561 1.00 42.10 C ATOM 890 CG GLU A 561 3.492 -12.663 8.783 1.00 22.41 C ATOM 891 CD GLU A 561 4.130 -13.243 10.014 1.00 34.22 C ATOM 892 OE1 GLU A 561 3.605 -13.027 11.129 1.00 13.54 O ATOM 893 OE2 GLU A 561 5.178 -13.918 9.893 1.00 11.31 O ATOM 0 H GLU A 561 3.603 -8.672 8.119 1.00 50.43 H new ATOM 0 HA GLU A 561 3.536 -11.080 6.434 1.00 5.02 H new ATOM 0 HB2 GLU A 561 4.960 -11.155 8.456 1.00 42.10 H new ATOM 0 HB3 GLU A 561 3.610 -10.643 9.449 1.00 42.10 H new ATOM 0 HG2 GLU A 561 2.408 -12.739 8.869 1.00 22.41 H new ATOM 0 HG3 GLU A 561 3.785 -13.252 7.914 1.00 22.41 H new ATOM 900 N PHE A 562 1.099 -11.212 6.410 1.00 73.32 N ATOM 901 CA PHE A 562 -0.311 -11.537 6.423 1.00 12.32 C ATOM 902 C PHE A 562 -0.457 -13.025 6.468 1.00 64.43 C ATOM 903 O PHE A 562 0.345 -13.739 5.877 1.00 21.23 O ATOM 904 CB PHE A 562 -1.030 -11.013 5.198 1.00 35.25 C ATOM 905 CG PHE A 562 -1.458 -9.591 5.275 1.00 4.12 C ATOM 906 CD1 PHE A 562 -2.706 -9.279 5.782 1.00 73.11 C ATOM 907 CD2 PHE A 562 -0.649 -8.574 4.812 1.00 1.13 C ATOM 908 CE1 PHE A 562 -3.140 -7.976 5.830 1.00 72.42 C ATOM 909 CE2 PHE A 562 -1.079 -7.265 4.850 1.00 61.32 C ATOM 910 CZ PHE A 562 -2.330 -6.968 5.362 1.00 14.23 C ATOM 0 H PHE A 562 1.573 -11.450 5.539 1.00 73.32 H new ATOM 0 HA PHE A 562 -0.758 -11.066 7.299 1.00 12.32 H new ATOM 0 HB2 PHE A 562 -0.377 -11.133 4.334 1.00 35.25 H new ATOM 0 HB3 PHE A 562 -1.910 -11.631 5.020 1.00 35.25 H new ATOM 0 HD1 PHE A 562 -3.347 -10.069 6.145 1.00 73.11 H new ATOM 0 HD2 PHE A 562 0.329 -8.805 4.417 1.00 1.13 H new ATOM 0 HE1 PHE A 562 -4.114 -7.744 6.234 1.00 72.42 H new ATOM 0 HE2 PHE A 562 -0.442 -6.474 4.482 1.00 61.32 H new ATOM 0 HZ PHE A 562 -2.670 -5.944 5.394 1.00 14.23 H new ATOM 920 N GLN A 563 -1.442 -13.509 7.161 1.00 65.15 N ATOM 921 CA GLN A 563 -1.645 -14.936 7.279 1.00 61.23 C ATOM 922 C GLN A 563 -3.126 -15.203 7.348 1.00 23.10 C ATOM 923 O GLN A 563 -3.941 -14.300 7.146 1.00 74.23 O ATOM 924 CB GLN A 563 -1.014 -15.489 8.567 1.00 62.12 C ATOM 925 CG GLN A 563 0.427 -15.166 8.815 1.00 0.44 C ATOM 926 CD GLN A 563 0.872 -15.759 10.129 1.00 33.45 C ATOM 927 OE1 GLN A 563 0.082 -15.896 11.062 1.00 14.44 O ATOM 928 NE2 GLN A 563 2.083 -16.180 10.196 1.00 4.54 N ATOM 0 H GLN A 563 -2.126 -12.940 7.659 1.00 65.15 H new ATOM 0 HA GLN A 563 -1.181 -15.418 6.419 1.00 61.23 H new ATOM 0 HB2 GLN A 563 -1.594 -15.120 9.413 1.00 62.12 H new ATOM 0 HB3 GLN A 563 -1.120 -16.574 8.557 1.00 62.12 H new ATOM 0 HG2 GLN A 563 1.041 -15.558 8.004 1.00 0.44 H new ATOM 0 HG3 GLN A 563 0.569 -14.085 8.828 1.00 0.44 H new ATOM 0 HE21 GLN A 563 2.713 -16.050 9.404 1.00 4.54 H new ATOM 0 HE22 GLN A 563 2.416 -16.644 11.041 1.00 4.54 H new ATOM 937 N ASN A 564 -3.472 -16.430 7.631 1.00 40.25 N ATOM 938 CA ASN A 564 -4.846 -16.802 7.884 1.00 14.22 C ATOM 939 C ASN A 564 -5.170 -16.385 9.305 1.00 31.25 C ATOM 940 O ASN A 564 -6.216 -15.826 9.587 1.00 33.23 O ATOM 941 CB ASN A 564 -5.020 -18.315 7.714 1.00 40.20 C ATOM 942 CG ASN A 564 -6.415 -18.821 8.047 1.00 33.03 C ATOM 943 OD1 ASN A 564 -7.414 -18.119 7.891 1.00 74.54 O ATOM 944 ND2 ASN A 564 -6.493 -20.050 8.466 1.00 32.15 N ATOM 0 H ASN A 564 -2.811 -17.204 7.694 1.00 40.25 H new ATOM 0 HA ASN A 564 -5.519 -16.311 7.181 1.00 14.22 H new ATOM 0 HB2 ASN A 564 -4.784 -18.584 6.684 1.00 40.20 H new ATOM 0 HB3 ASN A 564 -4.298 -18.827 8.350 1.00 40.20 H new ATOM 0 HD21 ASN A 564 -7.403 -20.460 8.676 1.00 32.15 H new ATOM 0 HD22 ASN A 564 -5.644 -20.603 8.584 1.00 32.15 H new ATOM 951 N ASP A 565 -4.198 -16.579 10.171 1.00 34.42 N ATOM 952 CA ASP A 565 -4.329 -16.261 11.597 1.00 32.15 C ATOM 953 C ASP A 565 -3.931 -14.820 11.872 1.00 65.14 C ATOM 954 O ASP A 565 -4.014 -14.342 13.000 1.00 14.20 O ATOM 955 CB ASP A 565 -3.449 -17.190 12.450 1.00 61.13 C ATOM 956 CG ASP A 565 -3.814 -18.647 12.331 1.00 63.30 C ATOM 957 OD1 ASP A 565 -4.680 -19.138 13.107 1.00 11.44 O ATOM 958 OD2 ASP A 565 -3.246 -19.338 11.473 1.00 10.42 O ATOM 0 H ASP A 565 -3.288 -16.962 9.916 1.00 34.42 H new ATOM 0 HA ASP A 565 -5.376 -16.405 11.865 1.00 32.15 H new ATOM 0 HB2 ASP A 565 -2.407 -17.060 12.156 1.00 61.13 H new ATOM 0 HB3 ASP A 565 -3.525 -16.890 13.495 1.00 61.13 H new ATOM 963 N GLU A 566 -3.503 -14.133 10.850 1.00 74.54 N ATOM 964 CA GLU A 566 -3.057 -12.772 10.987 1.00 3.53 C ATOM 965 C GLU A 566 -3.966 -11.874 10.181 1.00 24.41 C ATOM 966 O GLU A 566 -4.144 -12.086 8.969 1.00 62.14 O ATOM 967 CB GLU A 566 -1.610 -12.650 10.507 1.00 15.13 C ATOM 968 CG GLU A 566 -0.986 -11.290 10.712 1.00 21.13 C ATOM 969 CD GLU A 566 -0.983 -10.886 12.154 1.00 13.44 C ATOM 970 OE1 GLU A 566 -0.207 -11.455 12.942 1.00 21.14 O ATOM 971 OE2 GLU A 566 -1.725 -9.987 12.518 1.00 22.24 O ATOM 0 H GLU A 566 -3.453 -14.499 9.899 1.00 74.54 H new ATOM 0 HA GLU A 566 -3.095 -12.470 12.034 1.00 3.53 H new ATOM 0 HB2 GLU A 566 -1.006 -13.393 11.027 1.00 15.13 H new ATOM 0 HB3 GLU A 566 -1.572 -12.895 9.446 1.00 15.13 H new ATOM 0 HG2 GLU A 566 0.037 -11.300 10.336 1.00 21.13 H new ATOM 0 HG3 GLU A 566 -1.532 -10.549 10.129 1.00 21.13 H new ATOM 978 N ILE A 567 -4.553 -10.891 10.817 1.00 54.24 N ATOM 979 CA ILE A 567 -5.448 -10.020 10.132 1.00 54.32 C ATOM 980 C ILE A 567 -4.905 -8.624 10.203 1.00 42.41 C ATOM 981 O ILE A 567 -4.369 -8.223 11.251 1.00 53.31 O ATOM 982 CB ILE A 567 -6.931 -10.088 10.684 1.00 43.13 C ATOM 983 CG1 ILE A 567 -7.113 -9.351 12.026 1.00 72.10 C ATOM 984 CG2 ILE A 567 -7.402 -11.530 10.817 1.00 31.32 C ATOM 985 CD1 ILE A 567 -7.620 -7.934 11.887 1.00 63.03 C ATOM 0 H ILE A 567 -4.421 -10.682 11.807 1.00 54.24 H new ATOM 0 HA ILE A 567 -5.512 -10.347 9.094 1.00 54.32 H new ATOM 0 HB ILE A 567 -7.547 -9.573 9.947 1.00 43.13 H new ATOM 0 HG12 ILE A 567 -7.809 -9.915 12.647 1.00 72.10 H new ATOM 0 HG13 ILE A 567 -6.158 -9.334 12.552 1.00 72.10 H new ATOM 0 HG21 ILE A 567 -8.423 -11.546 11.198 1.00 31.32 H new ATOM 0 HG22 ILE A 567 -7.371 -12.014 9.841 1.00 31.32 H new ATOM 0 HG23 ILE A 567 -6.749 -12.064 11.507 1.00 31.32 H new ATOM 0 HD11 ILE A 567 -7.721 -7.485 12.875 1.00 63.03 H new ATOM 0 HD12 ILE A 567 -6.915 -7.352 11.294 1.00 63.03 H new ATOM 0 HD13 ILE A 567 -8.591 -7.942 11.391 1.00 63.03 H new ATOM 997 N VAL A 568 -5.035 -7.916 9.089 1.00 1.15 N ATOM 998 CA VAL A 568 -4.611 -6.523 8.880 1.00 41.23 C ATOM 999 C VAL A 568 -3.106 -6.284 9.176 1.00 51.41 C ATOM 1000 O VAL A 568 -2.431 -7.088 9.814 1.00 20.30 O ATOM 1001 CB VAL A 568 -5.523 -5.504 9.664 1.00 61.21 C ATOM 1002 CG1 VAL A 568 -5.084 -5.282 11.101 1.00 24.14 C ATOM 1003 CG2 VAL A 568 -5.694 -4.191 8.915 1.00 14.04 C ATOM 0 H VAL A 568 -5.463 -8.315 8.254 1.00 1.15 H new ATOM 0 HA VAL A 568 -4.743 -6.335 7.814 1.00 41.23 H new ATOM 0 HB VAL A 568 -6.504 -5.975 9.721 1.00 61.21 H new ATOM 0 HG11 VAL A 568 -5.756 -4.570 11.581 1.00 24.14 H new ATOM 0 HG12 VAL A 568 -5.113 -6.229 11.641 1.00 24.14 H new ATOM 0 HG13 VAL A 568 -4.068 -4.888 11.114 1.00 24.14 H new ATOM 0 HG21 VAL A 568 -6.330 -3.522 9.494 1.00 14.04 H new ATOM 0 HG22 VAL A 568 -4.719 -3.727 8.767 1.00 14.04 H new ATOM 0 HG23 VAL A 568 -6.156 -4.382 7.946 1.00 14.04 H new ATOM 1013 N LYS A 569 -2.578 -5.222 8.650 1.00 55.22 N ATOM 1014 CA LYS A 569 -1.217 -4.819 8.916 1.00 13.23 C ATOM 1015 C LYS A 569 -1.132 -3.335 8.873 1.00 62.10 C ATOM 1016 O LYS A 569 -2.044 -2.672 8.352 1.00 4.15 O ATOM 1017 CB LYS A 569 -0.211 -5.430 7.923 1.00 42.43 C ATOM 1018 CG LYS A 569 0.164 -6.906 8.144 1.00 2.13 C ATOM 1019 CD LYS A 569 1.266 -7.114 9.204 1.00 40.14 C ATOM 1020 CE LYS A 569 0.849 -6.857 10.663 1.00 21.31 C ATOM 1021 NZ LYS A 569 -0.209 -7.788 11.135 1.00 70.32 N ATOM 0 H LYS A 569 -3.079 -4.599 8.016 1.00 55.22 H new ATOM 0 HA LYS A 569 -0.949 -5.190 9.905 1.00 13.23 H new ATOM 0 HB2 LYS A 569 -0.620 -5.329 6.918 1.00 42.43 H new ATOM 0 HB3 LYS A 569 0.703 -4.837 7.956 1.00 42.43 H new ATOM 0 HG2 LYS A 569 -0.727 -7.457 8.446 1.00 2.13 H new ATOM 0 HG3 LYS A 569 0.497 -7.333 7.198 1.00 2.13 H new ATOM 0 HD2 LYS A 569 1.631 -8.138 9.125 1.00 40.14 H new ATOM 0 HD3 LYS A 569 2.103 -6.458 8.964 1.00 40.14 H new ATOM 0 HE2 LYS A 569 1.723 -6.952 11.307 1.00 21.31 H new ATOM 0 HE3 LYS A 569 0.492 -5.831 10.758 1.00 21.31 H new ATOM 0 HZ1 LYS A 569 -0.237 -7.783 12.175 1.00 70.32 H new ATOM 0 HZ2 LYS A 569 -1.131 -7.483 10.762 1.00 70.32 H new ATOM 0 HZ3 LYS A 569 -0.000 -8.750 10.799 1.00 70.32 H new ATOM 1035 N THR A 570 -0.081 -2.813 9.420 1.00 43.34 N ATOM 1036 CA THR A 570 0.153 -1.403 9.431 1.00 71.20 C ATOM 1037 C THR A 570 1.582 -1.091 9.065 1.00 3.24 C ATOM 1038 O THR A 570 2.511 -1.756 9.522 1.00 54.11 O ATOM 1039 CB THR A 570 -0.175 -0.757 10.806 1.00 1.11 C ATOM 1040 OG1 THR A 570 0.354 -1.539 11.896 1.00 13.21 O ATOM 1041 CG2 THR A 570 -1.659 -0.545 10.999 1.00 33.30 C ATOM 0 H THR A 570 0.648 -3.360 9.877 1.00 43.34 H new ATOM 0 HA THR A 570 -0.519 -0.976 8.687 1.00 71.20 H new ATOM 0 HB THR A 570 0.308 0.220 10.807 1.00 1.11 H new ATOM 0 HG1 THR A 570 0.349 -1.003 12.716 1.00 13.21 H new ATOM 0 HG21 THR A 570 -1.838 -0.092 11.974 1.00 33.30 H new ATOM 0 HG22 THR A 570 -2.037 0.114 10.217 1.00 33.30 H new ATOM 0 HG23 THR A 570 -2.174 -1.504 10.945 1.00 33.30 H new ATOM 1049 N ILE A 571 1.763 -0.134 8.202 1.00 11.23 N ATOM 1050 CA ILE A 571 3.090 0.337 7.928 1.00 30.52 C ATOM 1051 C ILE A 571 3.401 1.373 8.968 1.00 54.43 C ATOM 1052 O ILE A 571 2.681 2.367 9.074 1.00 1.21 O ATOM 1053 CB ILE A 571 3.288 0.967 6.503 1.00 44.24 C ATOM 1054 CG1 ILE A 571 3.138 -0.056 5.374 1.00 62.31 C ATOM 1055 CG2 ILE A 571 4.643 1.626 6.396 1.00 1.30 C ATOM 1056 CD1 ILE A 571 1.742 -0.505 5.118 1.00 45.22 C ATOM 0 H ILE A 571 1.019 0.331 7.681 1.00 11.23 H new ATOM 0 HA ILE A 571 3.758 -0.524 7.954 1.00 30.52 H new ATOM 0 HB ILE A 571 2.499 1.710 6.387 1.00 44.24 H new ATOM 0 HG12 ILE A 571 3.540 0.375 4.457 1.00 62.31 H new ATOM 0 HG13 ILE A 571 3.747 -0.928 5.610 1.00 62.31 H new ATOM 0 HG21 ILE A 571 4.761 2.056 5.401 1.00 1.30 H new ATOM 0 HG22 ILE A 571 4.724 2.414 7.144 1.00 1.30 H new ATOM 0 HG23 ILE A 571 5.423 0.884 6.565 1.00 1.30 H new ATOM 0 HD11 ILE A 571 1.736 -1.228 4.302 1.00 45.22 H new ATOM 0 HD12 ILE A 571 1.339 -0.970 6.018 1.00 45.22 H new ATOM 0 HD13 ILE A 571 1.128 0.353 4.846 1.00 45.22 H new ATOM 1068 N SER A 572 4.400 1.121 9.750 1.00 14.30 N ATOM 1069 CA SER A 572 4.804 2.025 10.772 1.00 53.41 C ATOM 1070 C SER A 572 5.984 2.842 10.263 1.00 33.11 C ATOM 1071 O SER A 572 7.015 2.284 9.865 1.00 21.13 O ATOM 1072 CB SER A 572 5.178 1.226 12.012 1.00 73.42 C ATOM 1073 OG SER A 572 4.106 0.353 12.373 1.00 1.41 O ATOM 0 H SER A 572 4.963 0.272 9.695 1.00 14.30 H new ATOM 0 HA SER A 572 3.996 2.709 11.033 1.00 53.41 H new ATOM 0 HB2 SER A 572 6.082 0.647 11.822 1.00 73.42 H new ATOM 0 HB3 SER A 572 5.400 1.903 12.837 1.00 73.42 H new ATOM 0 HG SER A 572 4.355 -0.159 13.171 1.00 1.41 H new ATOM 1079 N VAL A 573 5.825 4.140 10.225 1.00 3.14 N ATOM 1080 CA VAL A 573 6.869 5.018 9.727 1.00 41.35 C ATOM 1081 C VAL A 573 7.214 6.034 10.794 1.00 63.14 C ATOM 1082 O VAL A 573 6.311 6.603 11.427 1.00 5.44 O ATOM 1083 CB VAL A 573 6.430 5.781 8.437 1.00 42.15 C ATOM 1084 CG1 VAL A 573 7.585 6.588 7.843 1.00 15.03 C ATOM 1085 CG2 VAL A 573 5.842 4.837 7.399 1.00 4.11 C ATOM 0 H VAL A 573 4.980 4.621 10.533 1.00 3.14 H new ATOM 0 HA VAL A 573 7.731 4.398 9.479 1.00 41.35 H new ATOM 0 HB VAL A 573 5.648 6.481 8.732 1.00 42.15 H new ATOM 0 HG11 VAL A 573 7.244 7.106 6.947 1.00 15.03 H new ATOM 0 HG12 VAL A 573 7.932 7.318 8.574 1.00 15.03 H new ATOM 0 HG13 VAL A 573 8.403 5.916 7.584 1.00 15.03 H new ATOM 0 HG21 VAL A 573 5.548 5.405 6.516 1.00 4.11 H new ATOM 0 HG22 VAL A 573 6.588 4.093 7.120 1.00 4.11 H new ATOM 0 HG23 VAL A 573 4.968 4.337 7.816 1.00 4.11 H new ATOM 1095 N LYS A 574 8.494 6.237 11.005 1.00 3.30 N ATOM 1096 CA LYS A 574 8.985 7.201 11.948 1.00 11.13 C ATOM 1097 C LYS A 574 9.126 8.550 11.258 1.00 4.12 C ATOM 1098 O LYS A 574 9.885 8.702 10.286 1.00 23.12 O ATOM 1099 CB LYS A 574 10.327 6.710 12.535 1.00 2.23 C ATOM 1100 CG LYS A 574 11.064 7.673 13.468 1.00 63.33 C ATOM 1101 CD LYS A 574 10.270 7.997 14.718 1.00 74.22 C ATOM 1102 CE LYS A 574 11.114 8.787 15.707 1.00 15.31 C ATOM 1103 NZ LYS A 574 10.384 9.079 16.958 1.00 52.20 N ATOM 0 H LYS A 574 9.230 5.727 10.517 1.00 3.30 H new ATOM 0 HA LYS A 574 8.284 7.318 12.775 1.00 11.13 H new ATOM 0 HB2 LYS A 574 10.141 5.784 13.080 1.00 2.23 H new ATOM 0 HB3 LYS A 574 10.991 6.465 11.706 1.00 2.23 H new ATOM 0 HG2 LYS A 574 12.021 7.236 13.753 1.00 63.33 H new ATOM 0 HG3 LYS A 574 11.283 8.596 12.932 1.00 63.33 H new ATOM 0 HD2 LYS A 574 9.382 8.571 14.451 1.00 74.22 H new ATOM 0 HD3 LYS A 574 9.925 7.074 15.184 1.00 74.22 H new ATOM 0 HE2 LYS A 574 12.019 8.225 15.939 1.00 15.31 H new ATOM 0 HE3 LYS A 574 11.430 9.723 15.246 1.00 15.31 H new ATOM 0 HZ1 LYS A 574 10.999 9.618 17.601 1.00 52.20 H new ATOM 0 HZ2 LYS A 574 9.534 9.638 16.742 1.00 52.20 H new ATOM 0 HZ3 LYS A 574 10.105 8.187 17.413 1.00 52.20 H new ATOM 1117 N VAL A 575 8.363 9.492 11.715 1.00 14.32 N ATOM 1118 CA VAL A 575 8.410 10.828 11.186 1.00 50.22 C ATOM 1119 C VAL A 575 9.487 11.583 11.936 1.00 11.41 C ATOM 1120 O VAL A 575 9.581 11.470 13.161 1.00 70.21 O ATOM 1121 CB VAL A 575 7.030 11.538 11.330 1.00 33.43 C ATOM 1122 CG1 VAL A 575 7.061 12.951 10.752 1.00 61.23 C ATOM 1123 CG2 VAL A 575 5.943 10.713 10.649 1.00 11.40 C ATOM 0 H VAL A 575 7.687 9.361 12.467 1.00 14.32 H new ATOM 0 HA VAL A 575 8.640 10.800 10.121 1.00 50.22 H new ATOM 0 HB VAL A 575 6.806 11.620 12.394 1.00 33.43 H new ATOM 0 HG11 VAL A 575 6.081 13.414 10.871 1.00 61.23 H new ATOM 0 HG12 VAL A 575 7.809 13.543 11.279 1.00 61.23 H new ATOM 0 HG13 VAL A 575 7.315 12.905 9.693 1.00 61.23 H new ATOM 0 HG21 VAL A 575 4.983 11.218 10.755 1.00 11.40 H new ATOM 0 HG22 VAL A 575 6.180 10.602 9.591 1.00 11.40 H new ATOM 0 HG23 VAL A 575 5.889 9.728 11.114 1.00 11.40 H new ATOM 1133 N ILE A 576 10.317 12.288 11.222 1.00 33.31 N ATOM 1134 CA ILE A 576 11.408 13.008 11.827 1.00 60.12 C ATOM 1135 C ILE A 576 10.964 14.455 12.028 1.00 32.35 C ATOM 1136 O ILE A 576 9.999 14.904 11.400 1.00 71.14 O ATOM 1137 CB ILE A 576 12.693 12.943 10.915 1.00 2.21 C ATOM 1138 CG1 ILE A 576 13.041 11.487 10.553 1.00 33.31 C ATOM 1139 CG2 ILE A 576 13.904 13.618 11.560 1.00 32.15 C ATOM 1140 CD1 ILE A 576 13.308 10.569 11.727 1.00 53.35 C ATOM 0 H ILE A 576 10.260 12.382 10.208 1.00 33.31 H new ATOM 0 HA ILE A 576 11.666 12.558 12.786 1.00 60.12 H new ATOM 0 HB ILE A 576 12.452 13.493 10.005 1.00 2.21 H new ATOM 0 HG12 ILE A 576 12.221 11.071 9.968 1.00 33.31 H new ATOM 0 HG13 ILE A 576 13.921 11.491 9.910 1.00 33.31 H new ATOM 0 HG21 ILE A 576 14.761 13.545 10.890 1.00 32.15 H new ATOM 0 HG22 ILE A 576 13.679 14.668 11.747 1.00 32.15 H new ATOM 0 HG23 ILE A 576 14.137 13.123 12.503 1.00 32.15 H new ATOM 0 HD11 ILE A 576 13.543 9.569 11.361 1.00 53.35 H new ATOM 0 HD12 ILE A 576 14.150 10.952 12.304 1.00 53.35 H new ATOM 0 HD13 ILE A 576 12.423 10.524 12.362 1.00 53.35 H new ATOM 1152 N ASP A 577 11.609 15.151 12.934 1.00 51.24 N ATOM 1153 CA ASP A 577 11.325 16.547 13.168 1.00 73.32 C ATOM 1154 C ASP A 577 11.760 17.341 11.951 1.00 11.35 C ATOM 1155 O ASP A 577 12.922 17.310 11.542 1.00 14.55 O ATOM 1156 CB ASP A 577 11.991 17.066 14.461 1.00 11.00 C ATOM 1157 CG ASP A 577 13.503 17.020 14.449 1.00 11.11 C ATOM 1158 OD1 ASP A 577 14.088 15.924 14.597 1.00 14.52 O ATOM 1159 OD2 ASP A 577 14.141 18.086 14.317 1.00 50.00 O ATOM 0 H ASP A 577 12.344 14.767 13.528 1.00 51.24 H new ATOM 0 HA ASP A 577 10.253 16.673 13.317 1.00 73.32 H new ATOM 0 HB2 ASP A 577 11.673 18.094 14.631 1.00 11.00 H new ATOM 0 HB3 ASP A 577 11.629 16.477 15.303 1.00 11.00 H new ATOM 1164 N ASP A 578 10.811 17.993 11.360 1.00 12.24 N ATOM 1165 CA ASP A 578 10.983 18.708 10.106 1.00 22.42 C ATOM 1166 C ASP A 578 11.902 19.909 10.267 1.00 62.14 C ATOM 1167 O ASP A 578 11.650 20.814 11.078 1.00 34.23 O ATOM 1168 CB ASP A 578 9.623 19.095 9.604 1.00 70.43 C ATOM 1169 CG ASP A 578 9.557 19.707 8.243 1.00 24.22 C ATOM 1170 OD1 ASP A 578 10.290 19.242 7.319 1.00 60.12 O ATOM 1171 OD2 ASP A 578 8.693 20.632 8.050 1.00 5.43 O ATOM 0 H ASP A 578 9.864 18.053 11.735 1.00 12.24 H new ATOM 0 HA ASP A 578 11.469 18.065 9.373 1.00 22.42 H new ATOM 0 HB2 ASP A 578 8.994 18.205 9.607 1.00 70.43 H new ATOM 0 HB3 ASP A 578 9.186 19.797 10.314 1.00 70.43 H new ATOM 1176 N GLU A 579 12.944 19.889 9.477 1.00 5.50 N ATOM 1177 CA GLU A 579 14.048 20.821 9.520 1.00 2.30 C ATOM 1178 C GLU A 579 13.819 22.082 8.677 1.00 32.34 C ATOM 1179 O GLU A 579 14.452 23.111 8.930 1.00 65.41 O ATOM 1180 CB GLU A 579 15.352 20.128 9.039 1.00 24.22 C ATOM 1181 CG GLU A 579 15.391 19.711 7.541 1.00 12.54 C ATOM 1182 CD GLU A 579 14.420 18.601 7.134 1.00 71.43 C ATOM 1183 OE1 GLU A 579 13.164 18.832 7.121 1.00 71.14 O ATOM 1184 OE2 GLU A 579 14.865 17.524 6.756 1.00 42.20 O ATOM 0 H GLU A 579 13.054 19.186 8.746 1.00 5.50 H new ATOM 0 HA GLU A 579 14.134 21.136 10.560 1.00 2.30 H new ATOM 0 HB2 GLU A 579 16.189 20.800 9.230 1.00 24.22 H new ATOM 0 HB3 GLU A 579 15.512 19.238 9.647 1.00 24.22 H new ATOM 0 HG2 GLU A 579 15.183 20.591 6.933 1.00 12.54 H new ATOM 0 HG3 GLU A 579 16.404 19.389 7.299 1.00 12.54 H new ATOM 1191 N GLU A 580 12.964 22.021 7.673 1.00 41.22 N ATOM 1192 CA GLU A 580 12.793 23.188 6.836 1.00 73.23 C ATOM 1193 C GLU A 580 11.377 23.713 6.909 1.00 42.11 C ATOM 1194 O GLU A 580 10.539 23.148 7.625 1.00 62.24 O ATOM 1195 CB GLU A 580 13.244 22.971 5.346 1.00 54.32 C ATOM 1196 CG GLU A 580 12.353 22.086 4.434 1.00 3.03 C ATOM 1197 CD GLU A 580 12.488 20.588 4.616 1.00 71.30 C ATOM 1198 OE1 GLU A 580 13.386 19.980 4.015 1.00 3.42 O ATOM 1199 OE2 GLU A 580 11.660 19.965 5.326 1.00 11.42 O ATOM 0 H GLU A 580 12.398 21.209 7.425 1.00 41.22 H new ATOM 0 HA GLU A 580 13.465 23.944 7.242 1.00 73.23 H new ATOM 0 HB2 GLU A 580 13.330 23.951 4.878 1.00 54.32 H new ATOM 0 HB3 GLU A 580 14.243 22.535 5.360 1.00 54.32 H new ATOM 0 HG2 GLU A 580 11.312 22.359 4.604 1.00 3.03 H new ATOM 0 HG3 GLU A 580 12.580 22.327 3.396 1.00 3.03 H new ATOM 1206 N TYR A 581 11.134 24.824 6.225 1.00 34.45 N ATOM 1207 CA TYR A 581 9.805 25.399 6.093 1.00 3.13 C ATOM 1208 C TYR A 581 8.908 24.376 5.402 1.00 54.44 C ATOM 1209 O TYR A 581 9.402 23.506 4.647 1.00 60.43 O ATOM 1210 CB TYR A 581 9.832 26.714 5.284 1.00 44.01 C ATOM 1211 CG TYR A 581 10.098 26.541 3.799 1.00 61.33 C ATOM 1212 CD1 TYR A 581 9.057 26.225 2.940 1.00 34.24 C ATOM 1213 CD2 TYR A 581 11.369 26.669 3.265 1.00 3.42 C ATOM 1214 CE1 TYR A 581 9.254 26.043 1.615 1.00 23.05 C ATOM 1215 CE2 TYR A 581 11.583 26.490 1.913 1.00 14.55 C ATOM 1216 CZ TYR A 581 10.521 26.176 1.090 1.00 32.34 C ATOM 1217 OH TYR A 581 10.731 25.992 -0.258 1.00 22.55 O ATOM 0 H TYR A 581 11.860 25.354 5.743 1.00 34.45 H new ATOM 0 HA TYR A 581 9.420 25.639 7.084 1.00 3.13 H new ATOM 0 HB2 TYR A 581 8.876 27.222 5.411 1.00 44.01 H new ATOM 0 HB3 TYR A 581 10.598 27.366 5.703 1.00 44.01 H new ATOM 0 HD1 TYR A 581 8.060 26.121 3.341 1.00 34.24 H new ATOM 0 HD2 TYR A 581 12.200 26.911 3.911 1.00 3.42 H new ATOM 0 HE1 TYR A 581 8.423 25.795 0.972 1.00 23.05 H new ATOM 0 HE2 TYR A 581 12.576 26.595 1.502 1.00 14.55 H new ATOM 0 HH TYR A 581 11.680 26.124 -0.462 1.00 22.55 H new ATOM 1227 N GLU A 582 7.638 24.437 5.621 1.00 12.34 N ATOM 1228 CA GLU A 582 6.816 23.437 5.051 1.00 24.51 C ATOM 1229 C GLU A 582 6.416 23.709 3.636 1.00 44.03 C ATOM 1230 O GLU A 582 5.562 24.548 3.340 1.00 24.20 O ATOM 1231 CB GLU A 582 5.611 23.112 5.894 1.00 41.40 C ATOM 1232 CG GLU A 582 4.902 21.822 5.499 1.00 50.13 C ATOM 1233 CD GLU A 582 5.815 20.626 5.631 1.00 24.20 C ATOM 1234 OE1 GLU A 582 6.481 20.477 6.689 1.00 24.41 O ATOM 1235 OE2 GLU A 582 5.912 19.837 4.712 1.00 2.43 O ATOM 0 H GLU A 582 7.161 25.149 6.175 1.00 12.34 H new ATOM 0 HA GLU A 582 7.454 22.554 5.029 1.00 24.51 H new ATOM 0 HB2 GLU A 582 5.920 23.039 6.937 1.00 41.40 H new ATOM 0 HB3 GLU A 582 4.902 23.938 5.829 1.00 41.40 H new ATOM 0 HG2 GLU A 582 4.023 21.681 6.128 1.00 50.13 H new ATOM 0 HG3 GLU A 582 4.549 21.900 4.471 1.00 50.13 H new ATOM 1242 N LYS A 583 7.095 23.042 2.778 1.00 41.21 N ATOM 1243 CA LYS A 583 6.628 22.844 1.467 1.00 13.53 C ATOM 1244 C LYS A 583 6.009 21.480 1.560 1.00 21.42 C ATOM 1245 O LYS A 583 6.611 20.587 2.176 1.00 32.50 O ATOM 1246 CB LYS A 583 7.746 22.851 0.408 1.00 70.41 C ATOM 1247 CG LYS A 583 8.814 21.773 0.572 1.00 54.15 C ATOM 1248 CD LYS A 583 9.625 21.602 -0.696 1.00 21.43 C ATOM 1249 CE LYS A 583 10.372 22.863 -1.063 1.00 15.34 C ATOM 1250 NZ LYS A 583 11.216 22.696 -2.267 1.00 12.23 N ATOM 0 H LYS A 583 8.001 22.615 2.973 1.00 41.21 H new ATOM 0 HA LYS A 583 5.955 23.640 1.147 1.00 13.53 H new ATOM 0 HB2 LYS A 583 7.291 22.740 -0.576 1.00 70.41 H new ATOM 0 HB3 LYS A 583 8.233 23.826 0.426 1.00 70.41 H new ATOM 0 HG2 LYS A 583 9.476 22.037 1.397 1.00 54.15 H new ATOM 0 HG3 LYS A 583 8.341 20.827 0.834 1.00 54.15 H new ATOM 0 HD2 LYS A 583 10.335 20.785 -0.565 1.00 21.43 H new ATOM 0 HD3 LYS A 583 8.963 21.321 -1.515 1.00 21.43 H new ATOM 0 HE2 LYS A 583 9.657 23.667 -1.234 1.00 15.34 H new ATOM 0 HE3 LYS A 583 10.998 23.167 -0.224 1.00 15.34 H new ATOM 0 HZ1 LYS A 583 11.706 23.590 -2.474 1.00 12.23 H new ATOM 0 HZ2 LYS A 583 11.918 21.948 -2.098 1.00 12.23 H new ATOM 0 HZ3 LYS A 583 10.618 22.433 -3.076 1.00 12.23 H new ATOM 1264 N ASN A 584 4.843 21.300 1.038 1.00 15.42 N ATOM 1265 CA ASN A 584 4.165 20.028 1.207 1.00 34.10 C ATOM 1266 C ASN A 584 4.728 18.963 0.328 1.00 73.22 C ATOM 1267 O ASN A 584 4.194 18.654 -0.741 1.00 64.12 O ATOM 1268 CB ASN A 584 2.644 20.109 1.080 1.00 51.15 C ATOM 1269 CG ASN A 584 1.955 20.804 2.245 1.00 23.13 C ATOM 1270 OD1 ASN A 584 0.908 21.440 2.068 1.00 11.14 O ATOM 1271 ND2 ASN A 584 2.475 20.664 3.436 1.00 52.24 N ATOM 0 H ASN A 584 4.333 21.997 0.496 1.00 15.42 H new ATOM 0 HA ASN A 584 4.362 19.746 2.241 1.00 34.10 H new ATOM 0 HB2 ASN A 584 2.396 20.636 0.159 1.00 51.15 H new ATOM 0 HB3 ASN A 584 2.245 19.099 0.987 1.00 51.15 H new ATOM 0 HD21 ASN A 584 2.017 21.084 4.245 1.00 52.24 H new ATOM 0 HD22 ASN A 584 3.339 20.135 3.556 1.00 52.24 H new ATOM 1278 N LYS A 585 5.848 18.449 0.750 1.00 24.02 N ATOM 1279 CA LYS A 585 6.487 17.385 0.077 1.00 4.21 C ATOM 1280 C LYS A 585 5.811 16.112 0.544 1.00 12.25 C ATOM 1281 O LYS A 585 5.058 16.129 1.530 1.00 30.43 O ATOM 1282 CB LYS A 585 8.030 17.362 0.353 1.00 3.35 C ATOM 1283 CG LYS A 585 8.506 16.577 1.593 1.00 3.10 C ATOM 1284 CD LYS A 585 8.049 17.149 2.921 1.00 64.33 C ATOM 1285 CE LYS A 585 8.761 18.467 3.254 1.00 21.32 C ATOM 1286 NZ LYS A 585 8.364 19.003 4.579 1.00 64.53 N ATOM 0 H LYS A 585 6.339 18.771 1.584 1.00 24.02 H new ATOM 0 HA LYS A 585 6.391 17.499 -1.003 1.00 4.21 H new ATOM 0 HB2 LYS A 585 8.525 16.944 -0.524 1.00 3.35 H new ATOM 0 HB3 LYS A 585 8.372 18.392 0.452 1.00 3.35 H new ATOM 0 HG2 LYS A 585 8.150 15.550 1.514 1.00 3.10 H new ATOM 0 HG3 LYS A 585 9.595 16.539 1.585 1.00 3.10 H new ATOM 0 HD2 LYS A 585 6.972 17.316 2.893 1.00 64.33 H new ATOM 0 HD3 LYS A 585 8.239 16.424 3.713 1.00 64.33 H new ATOM 0 HE2 LYS A 585 9.839 18.309 3.237 1.00 21.32 H new ATOM 0 HE3 LYS A 585 8.535 19.204 2.484 1.00 21.32 H new ATOM 0 HZ1 LYS A 585 8.676 19.992 4.661 1.00 64.53 H new ATOM 0 HZ2 LYS A 585 7.330 18.957 4.676 1.00 64.53 H new ATOM 0 HZ3 LYS A 585 8.808 18.436 5.330 1.00 64.53 H new ATOM 1300 N THR A 586 6.053 15.044 -0.115 1.00 41.15 N ATOM 1301 CA THR A 586 5.408 13.842 0.218 1.00 70.31 C ATOM 1302 C THR A 586 6.215 12.662 -0.238 1.00 44.14 C ATOM 1303 O THR A 586 6.933 12.731 -1.247 1.00 3.12 O ATOM 1304 CB THR A 586 3.956 13.837 -0.344 1.00 3.14 C ATOM 1305 OG1 THR A 586 3.329 12.581 -0.157 1.00 51.30 O ATOM 1306 CG2 THR A 586 3.891 14.227 -1.802 1.00 30.50 C ATOM 0 H THR A 586 6.703 14.982 -0.898 1.00 41.15 H new ATOM 0 HA THR A 586 5.330 13.762 1.302 1.00 70.31 H new ATOM 0 HB THR A 586 3.416 14.593 0.226 1.00 3.14 H new ATOM 0 HG1 THR A 586 3.565 12.226 0.725 1.00 51.30 H new ATOM 0 HG21 THR A 586 2.854 14.206 -2.138 1.00 30.50 H new ATOM 0 HG22 THR A 586 4.293 15.232 -1.928 1.00 30.50 H new ATOM 0 HG23 THR A 586 4.479 13.525 -2.393 1.00 30.50 H new ATOM 1314 N PHE A 587 6.153 11.638 0.554 1.00 31.23 N ATOM 1315 CA PHE A 587 6.800 10.403 0.293 1.00 30.23 C ATOM 1316 C PHE A 587 5.759 9.356 0.032 1.00 54.02 C ATOM 1317 O PHE A 587 4.631 9.435 0.566 1.00 3.03 O ATOM 1318 CB PHE A 587 7.778 10.003 1.417 1.00 64.54 C ATOM 1319 CG PHE A 587 7.357 10.349 2.832 1.00 22.51 C ATOM 1320 CD1 PHE A 587 6.388 9.636 3.508 1.00 75.15 C ATOM 1321 CD2 PHE A 587 7.978 11.385 3.488 1.00 63.13 C ATOM 1322 CE1 PHE A 587 6.058 9.971 4.815 1.00 34.11 C ATOM 1323 CE2 PHE A 587 7.651 11.715 4.778 1.00 53.31 C ATOM 1324 CZ PHE A 587 6.691 11.006 5.441 1.00 73.52 C ATOM 0 H PHE A 587 5.630 11.645 1.430 1.00 31.23 H new ATOM 0 HA PHE A 587 7.422 10.508 -0.596 1.00 30.23 H new ATOM 0 HB2 PHE A 587 7.939 8.926 1.362 1.00 64.54 H new ATOM 0 HB3 PHE A 587 8.738 10.480 1.220 1.00 64.54 H new ATOM 0 HD1 PHE A 587 5.885 8.815 3.019 1.00 75.15 H new ATOM 0 HD2 PHE A 587 8.741 11.952 2.976 1.00 63.13 H new ATOM 0 HE1 PHE A 587 5.297 9.410 5.338 1.00 34.11 H new ATOM 0 HE2 PHE A 587 8.153 12.535 5.269 1.00 53.31 H new ATOM 0 HZ PHE A 587 6.433 11.263 6.458 1.00 73.52 H new ATOM 1334 N PHE A 588 6.100 8.404 -0.778 1.00 65.21 N ATOM 1335 CA PHE A 588 5.146 7.435 -1.204 1.00 0.34 C ATOM 1336 C PHE A 588 5.412 6.127 -0.519 1.00 12.12 C ATOM 1337 O PHE A 588 6.552 5.679 -0.450 1.00 53.22 O ATOM 1338 CB PHE A 588 5.223 7.236 -2.724 1.00 63.34 C ATOM 1339 CG PHE A 588 5.331 8.517 -3.514 1.00 34.43 C ATOM 1340 CD1 PHE A 588 4.337 9.475 -3.466 1.00 22.12 C ATOM 1341 CD2 PHE A 588 6.437 8.751 -4.308 1.00 13.20 C ATOM 1342 CE1 PHE A 588 4.445 10.643 -4.194 1.00 0.51 C ATOM 1343 CE2 PHE A 588 6.552 9.913 -5.038 1.00 60.31 C ATOM 1344 CZ PHE A 588 5.555 10.860 -4.982 1.00 53.11 C ATOM 0 H PHE A 588 7.038 8.278 -1.158 1.00 65.21 H new ATOM 0 HA PHE A 588 4.150 7.792 -0.943 1.00 0.34 H new ATOM 0 HB2 PHE A 588 6.084 6.608 -2.953 1.00 63.34 H new ATOM 0 HB3 PHE A 588 4.336 6.694 -3.053 1.00 63.34 H new ATOM 0 HD1 PHE A 588 3.465 9.308 -2.851 1.00 22.12 H new ATOM 0 HD2 PHE A 588 7.223 8.012 -4.357 1.00 13.20 H new ATOM 0 HE1 PHE A 588 3.662 11.385 -4.146 1.00 0.51 H new ATOM 0 HE2 PHE A 588 7.423 10.081 -5.654 1.00 60.31 H new ATOM 0 HZ PHE A 588 5.642 11.772 -5.554 1.00 53.11 H new ATOM 1354 N LEU A 589 4.400 5.546 0.025 1.00 44.03 N ATOM 1355 CA LEU A 589 4.520 4.239 0.572 1.00 73.10 C ATOM 1356 C LEU A 589 3.888 3.329 -0.449 1.00 40.21 C ATOM 1357 O LEU A 589 2.710 3.483 -0.790 1.00 32.05 O ATOM 1358 CB LEU A 589 3.793 4.120 1.926 1.00 70.22 C ATOM 1359 CG LEU A 589 4.304 3.049 2.914 1.00 12.00 C ATOM 1360 CD1 LEU A 589 4.283 1.647 2.340 1.00 53.42 C ATOM 1361 CD2 LEU A 589 5.675 3.404 3.404 1.00 33.33 C ATOM 0 H LEU A 589 3.471 5.960 0.103 1.00 44.03 H new ATOM 0 HA LEU A 589 5.562 3.985 0.768 1.00 73.10 H new ATOM 0 HB2 LEU A 589 3.845 5.089 2.423 1.00 70.22 H new ATOM 0 HB3 LEU A 589 2.740 3.920 1.727 1.00 70.22 H new ATOM 0 HG LEU A 589 3.611 3.043 3.755 1.00 12.00 H new ATOM 0 HD11 LEU A 589 4.654 0.943 3.085 1.00 53.42 H new ATOM 0 HD12 LEU A 589 3.262 1.381 2.067 1.00 53.42 H new ATOM 0 HD13 LEU A 589 4.918 1.607 1.455 1.00 53.42 H new ATOM 0 HD21 LEU A 589 6.022 2.640 4.100 1.00 33.33 H new ATOM 0 HD22 LEU A 589 6.360 3.463 2.558 1.00 33.33 H new ATOM 0 HD23 LEU A 589 5.642 4.368 3.911 1.00 33.33 H new ATOM 1373 N GLU A 590 4.647 2.450 -0.971 1.00 22.42 N ATOM 1374 CA GLU A 590 4.157 1.564 -1.964 1.00 34.14 C ATOM 1375 C GLU A 590 4.526 0.164 -1.570 1.00 33.55 C ATOM 1376 O GLU A 590 5.584 -0.063 -0.960 1.00 42.54 O ATOM 1377 CB GLU A 590 4.754 1.928 -3.321 1.00 55.44 C ATOM 1378 CG GLU A 590 4.162 1.183 -4.502 1.00 54.44 C ATOM 1379 CD GLU A 590 4.865 1.520 -5.784 1.00 60.32 C ATOM 1380 OE1 GLU A 590 5.865 0.861 -6.110 1.00 33.10 O ATOM 1381 OE2 GLU A 590 4.442 2.461 -6.494 1.00 75.14 O ATOM 0 H GLU A 590 5.628 2.318 -0.727 1.00 22.42 H new ATOM 0 HA GLU A 590 3.073 1.641 -2.046 1.00 34.14 H new ATOM 0 HB2 GLU A 590 4.624 2.998 -3.483 1.00 55.44 H new ATOM 0 HB3 GLU A 590 5.827 1.738 -3.292 1.00 55.44 H new ATOM 0 HG2 GLU A 590 4.226 0.110 -4.324 1.00 54.44 H new ATOM 0 HG3 GLU A 590 3.104 1.428 -4.593 1.00 54.44 H new ATOM 1388 N ILE A 591 3.656 -0.750 -1.867 1.00 71.12 N ATOM 1389 CA ILE A 591 3.886 -2.125 -1.587 1.00 52.45 C ATOM 1390 C ILE A 591 4.189 -2.837 -2.877 1.00 1.12 C ATOM 1391 O ILE A 591 3.785 -2.380 -3.958 1.00 50.52 O ATOM 1392 CB ILE A 591 2.692 -2.800 -0.851 1.00 14.11 C ATOM 1393 CG1 ILE A 591 1.381 -2.661 -1.646 1.00 74.13 C ATOM 1394 CG2 ILE A 591 2.541 -2.233 0.556 1.00 2.34 C ATOM 1395 CD1 ILE A 591 0.186 -3.315 -0.976 1.00 25.15 C ATOM 0 H ILE A 591 2.760 -0.557 -2.314 1.00 71.12 H new ATOM 0 HA ILE A 591 4.736 -2.195 -0.908 1.00 52.45 H new ATOM 0 HB ILE A 591 2.910 -3.865 -0.772 1.00 14.11 H new ATOM 0 HG12 ILE A 591 1.168 -1.602 -1.795 1.00 74.13 H new ATOM 0 HG13 ILE A 591 1.518 -3.101 -2.634 1.00 74.13 H new ATOM 0 HG21 ILE A 591 1.701 -2.717 1.055 1.00 2.34 H new ATOM 0 HG22 ILE A 591 3.454 -2.416 1.122 1.00 2.34 H new ATOM 0 HG23 ILE A 591 2.359 -1.160 0.498 1.00 2.34 H new ATOM 0 HD11 ILE A 591 -0.700 -3.175 -1.595 1.00 25.15 H new ATOM 0 HD12 ILE A 591 0.377 -4.381 -0.851 1.00 25.15 H new ATOM 0 HD13 ILE A 591 0.022 -2.859 0.000 1.00 25.15 H new ATOM 1407 N GLY A 592 4.923 -3.888 -2.781 1.00 25.34 N ATOM 1408 CA GLY A 592 5.285 -4.635 -3.932 1.00 23.32 C ATOM 1409 C GLY A 592 4.410 -5.837 -4.099 1.00 41.22 C ATOM 1410 O GLY A 592 3.342 -5.930 -3.480 1.00 71.42 O ATOM 0 H GLY A 592 5.289 -4.254 -1.902 1.00 25.34 H new ATOM 0 HA2 GLY A 592 5.210 -4.003 -4.817 1.00 23.32 H new ATOM 0 HA3 GLY A 592 6.326 -4.949 -3.852 1.00 23.32 H new ATOM 1414 N GLU A 593 4.861 -6.743 -4.912 1.00 3.33 N ATOM 1415 CA GLU A 593 4.155 -7.956 -5.206 1.00 43.43 C ATOM 1416 C GLU A 593 4.081 -8.849 -3.968 1.00 34.42 C ATOM 1417 O GLU A 593 5.124 -9.206 -3.384 1.00 11.40 O ATOM 1418 CB GLU A 593 4.870 -8.680 -6.336 1.00 52.53 C ATOM 1419 CG GLU A 593 4.339 -10.059 -6.622 1.00 14.22 C ATOM 1420 CD GLU A 593 5.404 -10.977 -7.181 1.00 44.52 C ATOM 1421 OE1 GLU A 593 6.606 -10.815 -6.806 1.00 75.43 O ATOM 1422 OE2 GLU A 593 5.067 -11.914 -7.925 1.00 53.13 O ATOM 0 H GLU A 593 5.752 -6.659 -5.402 1.00 3.33 H new ATOM 0 HA GLU A 593 3.136 -7.717 -5.509 1.00 43.43 H new ATOM 0 HB2 GLU A 593 4.794 -8.079 -7.242 1.00 52.53 H new ATOM 0 HB3 GLU A 593 5.929 -8.755 -6.091 1.00 52.53 H new ATOM 0 HG2 GLU A 593 3.936 -10.489 -5.705 1.00 14.22 H new ATOM 0 HG3 GLU A 593 3.514 -9.989 -7.331 1.00 14.22 H new ATOM 1429 N PRO A 594 2.864 -9.186 -3.523 1.00 51.02 N ATOM 1430 CA PRO A 594 2.683 -10.088 -2.419 1.00 52.40 C ATOM 1431 C PRO A 594 3.143 -11.501 -2.800 1.00 61.41 C ATOM 1432 O PRO A 594 2.927 -11.971 -3.927 1.00 50.51 O ATOM 1433 CB PRO A 594 1.183 -10.040 -2.118 1.00 62.50 C ATOM 1434 CG PRO A 594 0.539 -9.465 -3.327 1.00 12.13 C ATOM 1435 CD PRO A 594 1.587 -8.700 -4.077 1.00 4.54 C ATOM 0 HA PRO A 594 3.273 -9.809 -1.546 1.00 52.40 H new ATOM 0 HB2 PRO A 594 0.796 -11.037 -1.907 1.00 62.50 H new ATOM 0 HB3 PRO A 594 0.981 -9.427 -1.240 1.00 62.50 H new ATOM 0 HG2 PRO A 594 0.121 -10.255 -3.951 1.00 12.13 H new ATOM 0 HG3 PRO A 594 -0.286 -8.810 -3.047 1.00 12.13 H new ATOM 0 HD2 PRO A 594 1.523 -8.885 -5.149 1.00 4.54 H new ATOM 0 HD3 PRO A 594 1.474 -7.626 -3.932 1.00 4.54 H new ATOM 1443 N ARG A 595 3.766 -12.155 -1.877 1.00 35.43 N ATOM 1444 CA ARG A 595 4.377 -13.437 -2.115 1.00 71.31 C ATOM 1445 C ARG A 595 3.792 -14.476 -1.176 1.00 70.31 C ATOM 1446 O ARG A 595 3.792 -14.292 0.048 1.00 43.52 O ATOM 1447 CB ARG A 595 5.907 -13.306 -1.948 1.00 51.25 C ATOM 1448 CG ARG A 595 6.306 -12.641 -0.641 1.00 43.32 C ATOM 1449 CD ARG A 595 7.793 -12.401 -0.514 1.00 2.02 C ATOM 1450 NE ARG A 595 8.555 -13.637 -0.404 1.00 13.04 N ATOM 1451 CZ ARG A 595 9.731 -13.752 0.217 1.00 45.55 C ATOM 1452 NH1 ARG A 595 10.233 -12.733 0.928 1.00 13.32 N ATOM 1453 NH2 ARG A 595 10.390 -14.903 0.157 1.00 14.20 N ATOM 0 H ARG A 595 3.871 -11.817 -0.921 1.00 35.43 H new ATOM 0 HA ARG A 595 4.171 -13.768 -3.133 1.00 71.31 H new ATOM 0 HB2 ARG A 595 6.359 -14.297 -1.998 1.00 51.25 H new ATOM 0 HB3 ARG A 595 6.310 -12.729 -2.781 1.00 51.25 H new ATOM 0 HG2 ARG A 595 5.784 -11.688 -0.553 1.00 43.32 H new ATOM 0 HG3 ARG A 595 5.975 -13.264 0.190 1.00 43.32 H new ATOM 0 HD2 ARG A 595 8.142 -11.840 -1.381 1.00 2.02 H new ATOM 0 HD3 ARG A 595 7.983 -11.782 0.363 1.00 2.02 H new ATOM 0 HE ARG A 595 8.162 -14.475 -0.832 1.00 13.04 H new ATOM 0 HH11 ARG A 595 9.715 -11.857 0.999 1.00 13.32 H new ATOM 0 HH12 ARG A 595 11.133 -12.833 1.398 1.00 13.32 H new ATOM 0 HH21 ARG A 595 9.997 -15.689 -0.360 1.00 14.20 H new ATOM 0 HH22 ARG A 595 11.289 -15.001 0.628 1.00 14.20 H new ATOM 1467 N LEU A 596 3.239 -15.520 -1.747 1.00 5.23 N ATOM 1468 CA LEU A 596 2.658 -16.591 -0.980 1.00 51.50 C ATOM 1469 C LEU A 596 3.797 -17.430 -0.411 1.00 45.33 C ATOM 1470 O LEU A 596 4.641 -17.936 -1.163 1.00 1.24 O ATOM 1471 CB LEU A 596 1.802 -17.491 -1.888 1.00 21.54 C ATOM 1472 CG LEU A 596 0.502 -18.081 -1.295 1.00 14.33 C ATOM 1473 CD1 LEU A 596 0.634 -18.494 0.172 1.00 11.20 C ATOM 1474 CD2 LEU A 596 -0.666 -17.148 -1.521 1.00 55.14 C ATOM 0 H LEU A 596 3.180 -15.649 -2.757 1.00 5.23 H new ATOM 0 HA LEU A 596 2.031 -16.178 -0.189 1.00 51.50 H new ATOM 0 HB2 LEU A 596 1.535 -16.916 -2.775 1.00 21.54 H new ATOM 0 HB3 LEU A 596 2.425 -18.321 -2.222 1.00 21.54 H new ATOM 0 HG LEU A 596 0.306 -19.007 -1.836 1.00 14.33 H new ATOM 0 HD11 LEU A 596 -0.315 -18.899 0.523 1.00 11.20 H new ATOM 0 HD12 LEU A 596 1.410 -19.253 0.268 1.00 11.20 H new ATOM 0 HD13 LEU A 596 0.901 -17.624 0.772 1.00 11.20 H new ATOM 0 HD21 LEU A 596 -1.569 -17.585 -1.095 1.00 55.14 H new ATOM 0 HD22 LEU A 596 -0.465 -16.190 -1.041 1.00 55.14 H new ATOM 0 HD23 LEU A 596 -0.807 -16.995 -2.591 1.00 55.14 H new ATOM 1486 N VAL A 597 3.823 -17.590 0.877 1.00 32.03 N ATOM 1487 CA VAL A 597 4.854 -18.371 1.517 1.00 71.55 C ATOM 1488 C VAL A 597 4.406 -19.817 1.607 1.00 41.21 C ATOM 1489 O VAL A 597 3.980 -20.320 2.665 1.00 33.15 O ATOM 1490 CB VAL A 597 5.180 -17.871 2.918 1.00 41.41 C ATOM 1491 CG1 VAL A 597 6.401 -18.584 3.511 1.00 71.22 C ATOM 1492 CG2 VAL A 597 5.329 -16.365 2.966 1.00 31.10 C ATOM 0 H VAL A 597 3.138 -17.188 1.517 1.00 32.03 H new ATOM 0 HA VAL A 597 5.755 -18.276 0.911 1.00 71.55 H new ATOM 0 HB VAL A 597 4.326 -18.123 3.547 1.00 41.41 H new ATOM 0 HG11 VAL A 597 6.598 -18.197 4.511 1.00 71.22 H new ATOM 0 HG12 VAL A 597 6.205 -19.655 3.568 1.00 71.22 H new ATOM 0 HG13 VAL A 597 7.269 -18.408 2.876 1.00 71.22 H new ATOM 0 HG21 VAL A 597 5.561 -16.055 3.985 1.00 31.10 H new ATOM 0 HG22 VAL A 597 6.136 -16.058 2.300 1.00 31.10 H new ATOM 0 HG23 VAL A 597 4.398 -15.897 2.647 1.00 31.10 H new ATOM 1502 N GLU A 598 4.376 -20.413 0.496 1.00 53.33 N ATOM 1503 CA GLU A 598 4.087 -21.805 0.364 1.00 5.55 C ATOM 1504 C GLU A 598 4.837 -22.327 -0.825 1.00 1.35 C ATOM 1505 O GLU A 598 5.115 -21.569 -1.776 1.00 1.04 O ATOM 1506 CB GLU A 598 2.575 -22.082 0.219 1.00 54.13 C ATOM 1507 CG GLU A 598 1.960 -21.636 -1.101 1.00 33.11 C ATOM 1508 CD GLU A 598 0.481 -21.944 -1.201 1.00 33.24 C ATOM 1509 OE1 GLU A 598 -0.004 -22.865 -0.511 1.00 22.43 O ATOM 1510 OE2 GLU A 598 -0.236 -21.272 -1.988 1.00 53.21 O ATOM 0 H GLU A 598 4.556 -19.946 -0.393 1.00 53.33 H new ATOM 0 HA GLU A 598 4.404 -22.317 1.273 1.00 5.55 H new ATOM 0 HB2 GLU A 598 2.404 -23.152 0.338 1.00 54.13 H new ATOM 0 HB3 GLU A 598 2.050 -21.583 1.034 1.00 54.13 H new ATOM 0 HG2 GLU A 598 2.111 -20.563 -1.221 1.00 33.11 H new ATOM 0 HG3 GLU A 598 2.483 -22.125 -1.923 1.00 33.11 H new ATOM 1517 N MET A 599 5.212 -23.566 -0.781 1.00 25.34 N ATOM 1518 CA MET A 599 5.865 -24.149 -1.907 1.00 50.14 C ATOM 1519 C MET A 599 4.813 -24.638 -2.873 1.00 3.24 C ATOM 1520 O MET A 599 4.003 -25.494 -2.551 1.00 23.45 O ATOM 1521 CB MET A 599 6.833 -25.291 -1.535 1.00 63.24 C ATOM 1522 CG MET A 599 6.192 -26.497 -0.857 1.00 11.44 C ATOM 1523 SD MET A 599 7.209 -27.976 -0.961 1.00 41.42 S ATOM 1524 CE MET A 599 7.275 -28.191 -2.749 1.00 4.24 C ATOM 0 H MET A 599 5.078 -24.188 0.016 1.00 25.34 H new ATOM 0 HA MET A 599 6.485 -23.379 -2.366 1.00 50.14 H new ATOM 0 HB2 MET A 599 7.334 -25.629 -2.442 1.00 63.24 H new ATOM 0 HB3 MET A 599 7.603 -24.891 -0.875 1.00 63.24 H new ATOM 0 HG2 MET A 599 6.006 -26.263 0.191 1.00 11.44 H new ATOM 0 HG3 MET A 599 5.224 -26.694 -1.317 1.00 11.44 H new ATOM 0 HE1 MET A 599 7.121 -29.242 -2.995 1.00 4.24 H new ATOM 0 HE2 MET A 599 6.494 -27.591 -3.217 1.00 4.24 H new ATOM 0 HE3 MET A 599 8.249 -27.871 -3.118 1.00 4.24 H new ATOM 1534 N SER A 600 4.756 -24.042 -4.000 1.00 23.45 N ATOM 1535 CA SER A 600 3.834 -24.471 -4.998 1.00 23.11 C ATOM 1536 C SER A 600 4.550 -24.815 -6.270 1.00 3.31 C ATOM 1537 O SER A 600 5.000 -23.935 -7.010 1.00 23.44 O ATOM 1538 CB SER A 600 2.787 -23.422 -5.232 1.00 34.54 C ATOM 1539 OG SER A 600 2.085 -23.159 -4.029 1.00 33.00 O ATOM 0 H SER A 600 5.339 -23.248 -4.265 1.00 23.45 H new ATOM 0 HA SER A 600 3.335 -25.373 -4.643 1.00 23.11 H new ATOM 0 HB2 SER A 600 3.253 -22.507 -5.598 1.00 34.54 H new ATOM 0 HB3 SER A 600 2.092 -23.756 -6.002 1.00 34.54 H new ATOM 0 HG SER A 600 1.405 -22.472 -4.191 1.00 33.00 H new ATOM 1545 N GLU A 601 4.709 -26.081 -6.490 1.00 63.13 N ATOM 1546 CA GLU A 601 5.335 -26.571 -7.671 1.00 21.14 C ATOM 1547 C GLU A 601 4.772 -27.919 -8.027 1.00 33.32 C ATOM 1548 O GLU A 601 4.732 -28.834 -7.193 1.00 44.31 O ATOM 1549 CB GLU A 601 6.861 -26.626 -7.521 1.00 44.10 C ATOM 1550 CG GLU A 601 7.344 -27.406 -6.319 1.00 64.11 C ATOM 1551 CD GLU A 601 8.831 -27.434 -6.222 1.00 70.30 C ATOM 1552 OE1 GLU A 601 9.408 -26.484 -5.702 1.00 65.44 O ATOM 1553 OE2 GLU A 601 9.467 -28.423 -6.671 1.00 44.21 O ATOM 0 H GLU A 601 4.403 -26.810 -5.846 1.00 63.13 H new ATOM 0 HA GLU A 601 5.122 -25.878 -8.485 1.00 21.14 H new ATOM 0 HB2 GLU A 601 7.286 -27.070 -8.421 1.00 44.10 H new ATOM 0 HB3 GLU A 601 7.244 -25.608 -7.456 1.00 44.10 H new ATOM 0 HG2 GLU A 601 6.931 -26.964 -5.412 1.00 64.11 H new ATOM 0 HG3 GLU A 601 6.967 -28.427 -6.376 1.00 64.11 H new ATOM 1560 N LYS A 602 4.278 -28.018 -9.219 1.00 51.11 N ATOM 1561 CA LYS A 602 3.788 -29.244 -9.730 1.00 23.43 C ATOM 1562 C LYS A 602 4.498 -29.484 -11.044 1.00 25.24 C ATOM 1563 O LYS A 602 4.163 -28.894 -12.071 1.00 45.03 O ATOM 1564 CB LYS A 602 2.261 -29.208 -9.915 1.00 34.15 C ATOM 1565 CG LYS A 602 1.591 -30.554 -10.265 1.00 72.51 C ATOM 1566 CD LYS A 602 1.325 -31.481 -9.048 1.00 33.23 C ATOM 1567 CE LYS A 602 2.577 -32.056 -8.364 1.00 55.55 C ATOM 1568 NZ LYS A 602 3.368 -32.977 -9.236 1.00 22.30 N ATOM 0 H LYS A 602 4.205 -27.235 -9.869 1.00 51.11 H new ATOM 0 HA LYS A 602 3.985 -30.057 -9.031 1.00 23.43 H new ATOM 0 HB2 LYS A 602 1.812 -28.829 -8.997 1.00 34.15 H new ATOM 0 HB3 LYS A 602 2.027 -28.492 -10.703 1.00 34.15 H new ATOM 0 HG2 LYS A 602 0.644 -30.354 -10.766 1.00 72.51 H new ATOM 0 HG3 LYS A 602 2.223 -31.084 -10.978 1.00 72.51 H new ATOM 0 HD2 LYS A 602 0.752 -30.923 -8.307 1.00 33.23 H new ATOM 0 HD3 LYS A 602 0.699 -32.311 -9.376 1.00 33.23 H new ATOM 0 HE2 LYS A 602 3.217 -31.233 -8.045 1.00 55.55 H new ATOM 0 HE3 LYS A 602 2.275 -32.592 -7.464 1.00 55.55 H new ATOM 0 HZ1 LYS A 602 4.196 -33.326 -8.712 1.00 22.30 H new ATOM 0 HZ2 LYS A 602 2.774 -33.782 -9.520 1.00 22.30 H new ATOM 0 HZ3 LYS A 602 3.686 -32.465 -10.083 1.00 22.30 H new ATOM 1582 N LYS A 603 5.531 -30.261 -10.984 1.00 42.52 N ATOM 1583 CA LYS A 603 6.329 -30.553 -12.136 1.00 74.13 C ATOM 1584 C LYS A 603 6.580 -32.035 -12.284 1.00 15.51 C ATOM 1585 O LYS A 603 6.781 -32.743 -11.307 1.00 51.51 O ATOM 1586 CB LYS A 603 7.646 -29.709 -12.146 1.00 4.43 C ATOM 1587 CG LYS A 603 8.404 -29.583 -10.794 1.00 53.12 C ATOM 1588 CD LYS A 603 8.965 -30.905 -10.253 1.00 31.04 C ATOM 1589 CE LYS A 603 10.046 -31.494 -11.152 1.00 32.31 C ATOM 1590 NZ LYS A 603 10.543 -32.783 -10.638 1.00 64.31 N ATOM 0 H LYS A 603 5.849 -30.716 -10.128 1.00 42.52 H new ATOM 0 HA LYS A 603 5.762 -30.254 -13.017 1.00 74.13 H new ATOM 0 HB2 LYS A 603 8.325 -30.147 -12.878 1.00 4.43 H new ATOM 0 HB3 LYS A 603 7.404 -28.705 -12.496 1.00 4.43 H new ATOM 0 HG2 LYS A 603 9.226 -28.878 -10.917 1.00 53.12 H new ATOM 0 HG3 LYS A 603 7.728 -29.159 -10.051 1.00 53.12 H new ATOM 0 HD2 LYS A 603 9.376 -30.741 -9.257 1.00 31.04 H new ATOM 0 HD3 LYS A 603 8.153 -31.624 -10.148 1.00 31.04 H new ATOM 0 HE2 LYS A 603 9.647 -31.633 -12.157 1.00 32.31 H new ATOM 0 HE3 LYS A 603 10.875 -30.791 -11.232 1.00 32.31 H new ATOM 0 HZ1 LYS A 603 11.277 -33.152 -11.276 1.00 64.31 H new ATOM 0 HZ2 LYS A 603 10.946 -32.646 -9.689 1.00 64.31 H new ATOM 0 HZ3 LYS A 603 9.757 -33.462 -10.585 1.00 64.31 H new ATOM 1604 N GLY A 604 6.521 -32.494 -13.486 1.00 50.31 N ATOM 1605 CA GLY A 604 6.795 -33.867 -13.778 1.00 13.23 C ATOM 1606 C GLY A 604 8.062 -33.982 -14.573 1.00 31.22 C ATOM 1607 O GLY A 604 8.939 -34.808 -14.271 1.00 55.51 O ATOM 0 H GLY A 604 6.281 -31.929 -14.301 1.00 50.31 H new ATOM 0 HA2 GLY A 604 6.886 -34.433 -12.851 1.00 13.23 H new ATOM 0 HA3 GLY A 604 5.965 -34.301 -14.336 1.00 13.23 H new ATOM 1611 N GLY A 605 8.183 -33.141 -15.572 1.00 71.41 N ATOM 1612 CA GLY A 605 9.347 -33.148 -16.394 1.00 53.41 C ATOM 1613 C GLY A 605 9.058 -32.638 -17.774 1.00 31.34 C ATOM 1614 O GLY A 605 8.893 -31.429 -17.974 1.00 52.01 O ATOM 0 H GLY A 605 7.482 -32.445 -15.828 1.00 71.41 H new ATOM 0 HA2 GLY A 605 10.120 -32.533 -15.934 1.00 53.41 H new ATOM 0 HA3 GLY A 605 9.742 -34.162 -16.457 1.00 53.41 H new ATOM 1618 N PHE A 606 8.950 -33.557 -18.713 1.00 53.20 N ATOM 1619 CA PHE A 606 8.726 -33.238 -20.116 1.00 3.01 C ATOM 1620 C PHE A 606 7.393 -32.517 -20.356 1.00 61.03 C ATOM 1621 O PHE A 606 6.332 -33.132 -20.463 1.00 51.34 O ATOM 1622 CB PHE A 606 8.904 -34.487 -21.024 1.00 52.21 C ATOM 1623 CG PHE A 606 8.139 -35.729 -20.601 1.00 43.45 C ATOM 1624 CD1 PHE A 606 8.705 -36.638 -19.724 1.00 43.54 C ATOM 1625 CD2 PHE A 606 6.868 -35.985 -21.089 1.00 74.11 C ATOM 1626 CE1 PHE A 606 8.017 -37.770 -19.343 1.00 33.24 C ATOM 1627 CE2 PHE A 606 6.175 -37.114 -20.709 1.00 23.03 C ATOM 1628 CZ PHE A 606 6.750 -38.007 -19.835 1.00 55.25 C ATOM 0 H PHE A 606 9.015 -34.557 -18.525 1.00 53.20 H new ATOM 0 HA PHE A 606 9.500 -32.526 -20.403 1.00 3.01 H new ATOM 0 HB2 PHE A 606 8.598 -34.223 -22.036 1.00 52.21 H new ATOM 0 HB3 PHE A 606 9.965 -34.734 -21.066 1.00 52.21 H new ATOM 0 HD1 PHE A 606 9.696 -36.458 -19.334 1.00 43.54 H new ATOM 0 HD2 PHE A 606 6.413 -35.289 -21.778 1.00 74.11 H new ATOM 0 HE1 PHE A 606 8.470 -38.472 -18.659 1.00 33.24 H new ATOM 0 HE2 PHE A 606 5.184 -37.297 -21.096 1.00 23.03 H new ATOM 0 HZ PHE A 606 6.210 -38.893 -19.534 1.00 55.25 H new ATOM 1638 N THR A 607 7.459 -31.213 -20.382 1.00 3.20 N ATOM 1639 CA THR A 607 6.313 -30.378 -20.598 1.00 10.15 C ATOM 1640 C THR A 607 6.683 -29.137 -21.370 1.00 31.33 C ATOM 1641 O THR A 607 7.737 -28.520 -21.124 1.00 62.51 O ATOM 1642 CB THR A 607 5.629 -29.983 -19.274 1.00 22.21 C ATOM 1643 OG1 THR A 607 6.622 -29.787 -18.239 1.00 2.52 O ATOM 1644 CG2 THR A 607 4.593 -31.013 -18.837 1.00 21.15 C ATOM 0 H THR A 607 8.327 -30.694 -20.251 1.00 3.20 H new ATOM 0 HA THR A 607 5.605 -30.964 -21.184 1.00 10.15 H new ATOM 0 HB THR A 607 5.099 -29.045 -19.442 1.00 22.21 H new ATOM 0 HG1 THR A 607 7.244 -30.544 -18.235 1.00 2.52 H new ATOM 0 HG21 THR A 607 4.136 -30.695 -17.900 1.00 21.15 H new ATOM 0 HG22 THR A 607 3.824 -31.103 -19.604 1.00 21.15 H new ATOM 0 HG23 THR A 607 5.078 -31.979 -18.694 1.00 21.15 H new ATOM 1652 N ILE A 608 5.868 -28.813 -22.330 1.00 13.32 N ATOM 1653 CA ILE A 608 6.023 -27.630 -23.105 1.00 15.15 C ATOM 1654 C ILE A 608 5.009 -26.626 -22.609 1.00 73.51 C ATOM 1655 O ILE A 608 3.800 -26.847 -22.725 1.00 1.53 O ATOM 1656 CB ILE A 608 5.801 -27.912 -24.603 1.00 30.42 C ATOM 1657 CG1 ILE A 608 6.760 -29.021 -25.067 1.00 33.34 C ATOM 1658 CG2 ILE A 608 6.004 -26.633 -25.424 1.00 30.13 C ATOM 1659 CD1 ILE A 608 6.595 -29.433 -26.507 1.00 34.03 C ATOM 0 H ILE A 608 5.062 -29.379 -22.597 1.00 13.32 H new ATOM 0 HA ILE A 608 7.037 -27.246 -22.996 1.00 15.15 H new ATOM 0 HB ILE A 608 4.776 -28.249 -24.757 1.00 30.42 H new ATOM 0 HG12 ILE A 608 7.785 -28.683 -24.915 1.00 33.34 H new ATOM 0 HG13 ILE A 608 6.615 -29.896 -24.434 1.00 33.34 H new ATOM 0 HG21 ILE A 608 5.844 -26.849 -26.480 1.00 30.13 H new ATOM 0 HG22 ILE A 608 5.293 -25.874 -25.097 1.00 30.13 H new ATOM 0 HG23 ILE A 608 7.020 -26.265 -25.279 1.00 30.13 H new ATOM 0 HD11 ILE A 608 7.312 -30.219 -26.745 1.00 34.03 H new ATOM 0 HD12 ILE A 608 5.583 -29.805 -26.665 1.00 34.03 H new ATOM 0 HD13 ILE A 608 6.771 -28.573 -27.154 1.00 34.03 H new ATOM 1671 N THR A 609 5.499 -25.584 -22.008 1.00 71.10 N ATOM 1672 CA THR A 609 4.694 -24.549 -21.432 1.00 1.22 C ATOM 1673 C THR A 609 5.644 -23.479 -20.914 1.00 44.31 C ATOM 1674 O THR A 609 6.830 -23.753 -20.728 1.00 31.22 O ATOM 1675 CB THR A 609 3.830 -25.119 -20.244 1.00 74.25 C ATOM 1676 OG1 THR A 609 2.896 -24.148 -19.770 1.00 64.53 O ATOM 1677 CG2 THR A 609 4.708 -25.585 -19.080 1.00 61.13 C ATOM 0 H THR A 609 6.501 -25.426 -21.902 1.00 71.10 H new ATOM 0 HA THR A 609 4.009 -24.140 -22.175 1.00 1.22 H new ATOM 0 HB THR A 609 3.285 -25.977 -20.638 1.00 74.25 H new ATOM 0 HG1 THR A 609 2.373 -24.529 -19.035 1.00 64.53 H new ATOM 0 HG21 THR A 609 4.077 -25.971 -18.280 1.00 61.13 H new ATOM 0 HG22 THR A 609 5.380 -26.371 -19.423 1.00 61.13 H new ATOM 0 HG23 THR A 609 5.293 -24.745 -18.706 1.00 61.13 H new ATOM 1685 N GLU A 610 5.170 -22.285 -20.723 1.00 3.40 N ATOM 1686 CA GLU A 610 5.979 -21.274 -20.124 1.00 15.34 C ATOM 1687 C GLU A 610 5.390 -20.882 -18.801 1.00 34.33 C ATOM 1688 O GLU A 610 4.633 -19.924 -18.697 1.00 73.33 O ATOM 1689 CB GLU A 610 6.208 -20.059 -21.027 1.00 12.04 C ATOM 1690 CG GLU A 610 7.040 -20.357 -22.260 1.00 64.35 C ATOM 1691 CD GLU A 610 7.397 -19.112 -23.024 1.00 43.34 C ATOM 1692 OE1 GLU A 610 8.375 -18.422 -22.638 1.00 33.54 O ATOM 1693 OE2 GLU A 610 6.731 -18.794 -24.023 1.00 32.24 O ATOM 0 H GLU A 610 4.227 -21.990 -20.974 1.00 3.40 H new ATOM 0 HA GLU A 610 6.971 -21.698 -19.967 1.00 15.34 H new ATOM 0 HB2 GLU A 610 5.241 -19.664 -21.340 1.00 12.04 H new ATOM 0 HB3 GLU A 610 6.700 -19.277 -20.449 1.00 12.04 H new ATOM 0 HG2 GLU A 610 7.953 -20.872 -21.963 1.00 64.35 H new ATOM 0 HG3 GLU A 610 6.489 -21.035 -22.912 1.00 64.35 H new ATOM 1700 N GLU A 611 5.675 -21.685 -17.814 1.00 51.31 N ATOM 1701 CA GLU A 611 5.216 -21.454 -16.477 1.00 2.21 C ATOM 1702 C GLU A 611 6.152 -20.511 -15.772 1.00 23.42 C ATOM 1703 O GLU A 611 7.238 -20.900 -15.332 1.00 40.52 O ATOM 1704 CB GLU A 611 5.057 -22.768 -15.719 1.00 63.12 C ATOM 1705 CG GLU A 611 3.752 -23.481 -15.983 1.00 24.14 C ATOM 1706 CD GLU A 611 2.565 -22.649 -15.556 1.00 4.32 C ATOM 1707 OE1 GLU A 611 2.560 -22.143 -14.414 1.00 12.43 O ATOM 1708 OE2 GLU A 611 1.600 -22.524 -16.328 1.00 61.13 O ATOM 0 H GLU A 611 6.240 -22.528 -17.919 1.00 51.31 H new ATOM 0 HA GLU A 611 4.231 -20.989 -16.515 1.00 2.21 H new ATOM 0 HB2 GLU A 611 5.880 -23.430 -15.986 1.00 63.12 H new ATOM 0 HB3 GLU A 611 5.140 -22.570 -14.650 1.00 63.12 H new ATOM 0 HG2 GLU A 611 3.672 -23.712 -17.045 1.00 24.14 H new ATOM 0 HG3 GLU A 611 3.742 -24.431 -15.449 1.00 24.14 H new ATOM 1715 N TYR A 612 5.752 -19.271 -15.702 1.00 62.35 N ATOM 1716 CA TYR A 612 6.576 -18.243 -15.141 1.00 3.22 C ATOM 1717 C TYR A 612 6.407 -18.148 -13.650 1.00 70.31 C ATOM 1718 O TYR A 612 5.296 -18.190 -13.132 1.00 55.31 O ATOM 1719 CB TYR A 612 6.270 -16.875 -15.758 1.00 34.44 C ATOM 1720 CG TYR A 612 6.537 -16.763 -17.238 1.00 62.33 C ATOM 1721 CD1 TYR A 612 7.830 -16.609 -17.721 1.00 73.41 C ATOM 1722 CD2 TYR A 612 5.496 -16.779 -18.151 1.00 61.00 C ATOM 1723 CE1 TYR A 612 8.073 -16.475 -19.073 1.00 75.12 C ATOM 1724 CE2 TYR A 612 5.732 -16.654 -19.500 1.00 71.05 C ATOM 1725 CZ TYR A 612 7.019 -16.502 -19.957 1.00 70.03 C ATOM 1726 OH TYR A 612 7.247 -16.346 -21.309 1.00 20.32 O ATOM 0 H TYR A 612 4.843 -18.947 -16.034 1.00 62.35 H new ATOM 0 HA TYR A 612 7.605 -18.520 -15.369 1.00 3.22 H new ATOM 0 HB2 TYR A 612 5.222 -16.638 -15.575 1.00 34.44 H new ATOM 0 HB3 TYR A 612 6.862 -16.120 -15.240 1.00 34.44 H new ATOM 0 HD1 TYR A 612 8.658 -16.594 -17.028 1.00 73.41 H new ATOM 0 HD2 TYR A 612 4.482 -16.892 -17.798 1.00 61.00 H new ATOM 0 HE1 TYR A 612 9.083 -16.350 -19.434 1.00 75.12 H new ATOM 0 HE2 TYR A 612 4.908 -16.675 -20.198 1.00 71.05 H new ATOM 0 HH TYR A 612 7.783 -17.097 -21.639 1.00 20.32 H new ATOM 1736 N ASP A 613 7.515 -18.053 -12.981 1.00 42.13 N ATOM 1737 CA ASP A 613 7.576 -17.780 -11.555 1.00 2.01 C ATOM 1738 C ASP A 613 8.294 -16.470 -11.395 1.00 1.11 C ATOM 1739 O ASP A 613 8.698 -16.077 -10.297 1.00 72.42 O ATOM 1740 CB ASP A 613 8.324 -18.885 -10.789 1.00 70.42 C ATOM 1741 CG ASP A 613 7.598 -20.204 -10.785 1.00 51.31 C ATOM 1742 OD1 ASP A 613 6.611 -20.348 -10.019 1.00 11.02 O ATOM 1743 OD2 ASP A 613 7.994 -21.117 -11.534 1.00 73.55 O ATOM 0 H ASP A 613 8.433 -18.164 -13.412 1.00 42.13 H new ATOM 0 HA ASP A 613 6.568 -17.743 -11.143 1.00 2.01 H new ATOM 0 HB2 ASP A 613 9.310 -19.022 -11.234 1.00 70.42 H new ATOM 0 HB3 ASP A 613 8.481 -18.562 -9.760 1.00 70.42 H new ATOM 1748 N ASP A 614 8.452 -15.819 -12.536 1.00 33.10 N ATOM 1749 CA ASP A 614 9.123 -14.540 -12.705 1.00 3.32 C ATOM 1750 C ASP A 614 8.492 -13.460 -11.837 1.00 24.20 C ATOM 1751 O ASP A 614 7.264 -13.275 -11.838 1.00 31.11 O ATOM 1752 CB ASP A 614 9.077 -14.156 -14.196 1.00 32.11 C ATOM 1753 CG ASP A 614 9.744 -12.842 -14.544 1.00 15.14 C ATOM 1754 OD1 ASP A 614 10.777 -12.496 -13.942 1.00 52.41 O ATOM 1755 OD2 ASP A 614 9.286 -12.176 -15.498 1.00 72.25 O ATOM 0 H ASP A 614 8.096 -16.189 -13.417 1.00 33.10 H new ATOM 0 HA ASP A 614 10.160 -14.631 -12.382 1.00 3.32 H new ATOM 0 HB2 ASP A 614 9.550 -14.950 -14.774 1.00 32.11 H new ATOM 0 HB3 ASP A 614 8.035 -14.111 -14.511 1.00 32.11 H new ATOM 1760 N LYS A 615 9.320 -12.779 -11.080 1.00 45.54 N ATOM 1761 CA LYS A 615 8.856 -11.748 -10.177 1.00 42.21 C ATOM 1762 C LYS A 615 8.761 -10.388 -10.876 1.00 25.34 C ATOM 1763 O LYS A 615 9.754 -9.667 -11.041 1.00 63.45 O ATOM 1764 CB LYS A 615 9.706 -11.697 -8.875 1.00 45.41 C ATOM 1765 CG LYS A 615 11.216 -11.533 -9.082 1.00 3.25 C ATOM 1766 CD LYS A 615 12.024 -11.452 -7.762 1.00 43.15 C ATOM 1767 CE LYS A 615 12.127 -12.782 -6.973 1.00 71.12 C ATOM 1768 NZ LYS A 615 10.852 -13.248 -6.370 1.00 33.33 N ATOM 0 H LYS A 615 10.330 -12.922 -11.071 1.00 45.54 H new ATOM 0 HA LYS A 615 7.843 -12.010 -9.871 1.00 42.21 H new ATOM 0 HB2 LYS A 615 9.349 -10.871 -8.260 1.00 45.41 H new ATOM 0 HB3 LYS A 615 9.531 -12.613 -8.311 1.00 45.41 H new ATOM 0 HG2 LYS A 615 11.585 -12.372 -9.672 1.00 3.25 H new ATOM 0 HG3 LYS A 615 11.397 -10.629 -9.664 1.00 3.25 H new ATOM 0 HD2 LYS A 615 13.031 -11.104 -7.991 1.00 43.15 H new ATOM 0 HD3 LYS A 615 11.566 -10.700 -7.119 1.00 43.15 H new ATOM 0 HE2 LYS A 615 12.501 -13.557 -7.642 1.00 71.12 H new ATOM 0 HE3 LYS A 615 12.865 -12.662 -6.180 1.00 71.12 H new ATOM 0 HZ1 LYS A 615 11.037 -13.636 -5.423 1.00 33.33 H new ATOM 0 HZ2 LYS A 615 10.191 -12.448 -6.294 1.00 33.33 H new ATOM 0 HZ3 LYS A 615 10.433 -13.987 -6.971 1.00 33.33 H new ATOM 1782 N GLN A 616 7.583 -10.092 -11.346 1.00 75.41 N ATOM 1783 CA GLN A 616 7.283 -8.833 -12.004 1.00 51.41 C ATOM 1784 C GLN A 616 6.567 -7.923 -11.027 1.00 60.30 C ATOM 1785 O GLN A 616 6.107 -8.391 -9.984 1.00 1.03 O ATOM 1786 CB GLN A 616 6.367 -9.064 -13.214 1.00 62.43 C ATOM 1787 CG GLN A 616 7.005 -9.778 -14.381 1.00 22.13 C ATOM 1788 CD GLN A 616 6.060 -9.859 -15.562 1.00 65.42 C ATOM 1789 OE1 GLN A 616 4.844 -9.925 -15.405 1.00 42.22 O ATOM 1790 NE2 GLN A 616 6.600 -9.821 -16.743 1.00 63.01 N ATOM 0 H GLN A 616 6.784 -10.723 -11.286 1.00 75.41 H new ATOM 0 HA GLN A 616 8.217 -8.382 -12.339 1.00 51.41 H new ATOM 0 HB2 GLN A 616 5.500 -9.639 -12.888 1.00 62.43 H new ATOM 0 HB3 GLN A 616 5.998 -8.098 -13.559 1.00 62.43 H new ATOM 0 HG2 GLN A 616 7.915 -9.255 -14.676 1.00 22.13 H new ATOM 0 HG3 GLN A 616 7.299 -10.783 -14.078 1.00 22.13 H new ATOM 0 HE21 GLN A 616 7.614 -9.766 -16.839 1.00 63.01 H new ATOM 0 HE22 GLN A 616 6.010 -9.846 -17.575 1.00 63.01 H new ATOM 1799 N PRO A 617 6.480 -6.608 -11.302 1.00 42.02 N ATOM 1800 CA PRO A 617 5.681 -5.711 -10.482 1.00 23.12 C ATOM 1801 C PRO A 617 4.189 -6.006 -10.701 1.00 72.31 C ATOM 1802 O PRO A 617 3.829 -6.926 -11.456 1.00 73.43 O ATOM 1803 CB PRO A 617 6.042 -4.316 -11.014 1.00 11.11 C ATOM 1804 CG PRO A 617 6.488 -4.546 -12.414 1.00 40.33 C ATOM 1805 CD PRO A 617 7.148 -5.893 -12.418 1.00 43.55 C ATOM 0 HA PRO A 617 5.870 -5.812 -9.413 1.00 23.12 H new ATOM 0 HB2 PRO A 617 5.184 -3.645 -10.978 1.00 11.11 H new ATOM 0 HB3 PRO A 617 6.831 -3.857 -10.418 1.00 11.11 H new ATOM 0 HG2 PRO A 617 5.643 -4.523 -13.102 1.00 40.33 H new ATOM 0 HG3 PRO A 617 7.182 -3.770 -12.736 1.00 40.33 H new ATOM 0 HD2 PRO A 617 7.004 -6.408 -13.368 1.00 43.55 H new ATOM 0 HD3 PRO A 617 8.223 -5.814 -12.258 1.00 43.55 H new ATOM 1813 N LEU A 618 3.331 -5.254 -10.084 1.00 11.23 N ATOM 1814 CA LEU A 618 1.928 -5.496 -10.240 1.00 33.44 C ATOM 1815 C LEU A 618 1.446 -5.000 -11.584 1.00 31.15 C ATOM 1816 O LEU A 618 1.328 -3.785 -11.832 1.00 32.25 O ATOM 1817 CB LEU A 618 1.093 -4.944 -9.078 1.00 40.43 C ATOM 1818 CG LEU A 618 1.231 -5.659 -7.706 1.00 53.54 C ATOM 1819 CD1 LEU A 618 0.988 -7.158 -7.826 1.00 21.22 C ATOM 1820 CD2 LEU A 618 2.572 -5.400 -7.061 1.00 50.35 C ATOM 0 H LEU A 618 3.573 -4.474 -9.473 1.00 11.23 H new ATOM 0 HA LEU A 618 1.782 -6.576 -10.212 1.00 33.44 H new ATOM 0 HB2 LEU A 618 1.356 -3.895 -8.941 1.00 40.43 H new ATOM 0 HB3 LEU A 618 0.044 -4.974 -9.371 1.00 40.43 H new ATOM 0 HG LEU A 618 0.461 -5.235 -7.062 1.00 53.54 H new ATOM 0 HD11 LEU A 618 1.093 -7.623 -6.846 1.00 21.22 H new ATOM 0 HD12 LEU A 618 -0.019 -7.334 -8.205 1.00 21.22 H new ATOM 0 HD13 LEU A 618 1.715 -7.591 -8.513 1.00 21.22 H new ATOM 0 HD21 LEU A 618 2.622 -5.920 -6.104 1.00 50.35 H new ATOM 0 HD22 LEU A 618 3.366 -5.763 -7.714 1.00 50.35 H new ATOM 0 HD23 LEU A 618 2.697 -4.329 -6.899 1.00 50.35 H new ATOM 1832 N THR A 619 1.244 -5.939 -12.456 1.00 1.21 N ATOM 1833 CA THR A 619 0.833 -5.714 -13.792 1.00 50.02 C ATOM 1834 C THR A 619 0.303 -7.045 -14.316 1.00 11.41 C ATOM 1835 O THR A 619 0.460 -8.079 -13.645 1.00 24.53 O ATOM 1836 CB THR A 619 2.057 -5.249 -14.656 1.00 72.01 C ATOM 1837 OG1 THR A 619 1.651 -4.925 -15.997 1.00 53.25 O ATOM 1838 CG2 THR A 619 3.143 -6.325 -14.703 1.00 22.23 C ATOM 0 H THR A 619 1.369 -6.927 -12.237 1.00 1.21 H new ATOM 0 HA THR A 619 0.069 -4.938 -13.844 1.00 50.02 H new ATOM 0 HB THR A 619 2.463 -4.356 -14.181 1.00 72.01 H new ATOM 0 HG1 THR A 619 1.714 -3.957 -16.133 1.00 53.25 H new ATOM 0 HG21 THR A 619 3.978 -5.973 -15.309 1.00 22.23 H new ATOM 0 HG22 THR A 619 3.492 -6.534 -13.692 1.00 22.23 H new ATOM 0 HG23 THR A 619 2.734 -7.235 -15.142 1.00 22.23 H new ATOM 1846 N SER A 620 -0.355 -7.023 -15.433 1.00 42.41 N ATOM 1847 CA SER A 620 -0.777 -8.235 -16.064 1.00 61.41 C ATOM 1848 C SER A 620 -0.143 -8.294 -17.456 1.00 1.33 C ATOM 1849 O SER A 620 -0.145 -9.335 -18.120 1.00 2.24 O ATOM 1850 CB SER A 620 -2.306 -8.277 -16.134 1.00 32.04 C ATOM 1851 OG SER A 620 -2.794 -9.561 -16.508 1.00 43.51 O ATOM 0 H SER A 620 -0.614 -6.171 -15.931 1.00 42.41 H new ATOM 0 HA SER A 620 -0.455 -9.105 -15.492 1.00 61.41 H new ATOM 0 HB2 SER A 620 -2.720 -8.002 -15.164 1.00 32.04 H new ATOM 0 HB3 SER A 620 -2.655 -7.535 -16.852 1.00 32.04 H new ATOM 0 HG SER A 620 -2.988 -10.085 -15.703 1.00 43.51 H new ATOM 1857 N LYS A 621 0.413 -7.140 -17.899 1.00 3.21 N ATOM 1858 CA LYS A 621 1.077 -7.002 -19.209 1.00 15.53 C ATOM 1859 C LYS A 621 0.137 -7.345 -20.367 1.00 4.02 C ATOM 1860 O LYS A 621 0.590 -7.577 -21.489 1.00 60.53 O ATOM 1861 CB LYS A 621 2.363 -7.855 -19.260 1.00 24.15 C ATOM 1862 CG LYS A 621 3.512 -7.370 -18.359 1.00 13.13 C ATOM 1863 CD LYS A 621 4.424 -6.328 -19.044 1.00 25.13 C ATOM 1864 CE LYS A 621 3.740 -5.000 -19.378 1.00 61.14 C ATOM 1865 NZ LYS A 621 3.300 -4.245 -18.175 1.00 53.04 N ATOM 0 H LYS A 621 0.411 -6.279 -17.353 1.00 3.21 H new ATOM 0 HA LYS A 621 1.356 -5.955 -19.327 1.00 15.53 H new ATOM 0 HB2 LYS A 621 2.112 -8.878 -18.980 1.00 24.15 H new ATOM 0 HB3 LYS A 621 2.719 -7.884 -20.290 1.00 24.15 H new ATOM 0 HG2 LYS A 621 3.094 -6.936 -17.450 1.00 13.13 H new ATOM 0 HG3 LYS A 621 4.114 -8.227 -18.056 1.00 13.13 H new ATOM 0 HD2 LYS A 621 5.276 -6.129 -18.395 1.00 25.13 H new ATOM 0 HD3 LYS A 621 4.818 -6.759 -19.964 1.00 25.13 H new ATOM 0 HE2 LYS A 621 4.427 -4.381 -19.956 1.00 61.14 H new ATOM 0 HE3 LYS A 621 2.875 -5.194 -20.013 1.00 61.14 H new ATOM 0 HZ1 LYS A 621 2.800 -3.382 -18.470 1.00 53.04 H new ATOM 0 HZ2 LYS A 621 2.661 -4.838 -17.607 1.00 53.04 H new ATOM 0 HZ3 LYS A 621 4.130 -3.986 -17.605 1.00 53.04 H new ATOM 1879 N GLU A 622 -1.170 -7.327 -20.072 1.00 23.21 N ATOM 1880 CA GLU A 622 -2.239 -7.667 -21.011 1.00 64.24 C ATOM 1881 C GLU A 622 -2.077 -9.082 -21.562 1.00 1.54 C ATOM 1882 O GLU A 622 -2.520 -9.393 -22.670 1.00 4.45 O ATOM 1883 CB GLU A 622 -2.340 -6.628 -22.135 1.00 52.51 C ATOM 1884 CG GLU A 622 -2.721 -5.240 -21.635 1.00 41.00 C ATOM 1885 CD GLU A 622 -4.019 -5.249 -20.854 1.00 4.53 C ATOM 1886 OE1 GLU A 622 -5.102 -5.193 -21.465 1.00 30.41 O ATOM 1887 OE2 GLU A 622 -3.986 -5.327 -19.606 1.00 61.03 O ATOM 0 H GLU A 622 -1.518 -7.068 -19.149 1.00 23.21 H new ATOM 0 HA GLU A 622 -3.179 -7.646 -20.460 1.00 64.24 H new ATOM 0 HB2 GLU A 622 -1.384 -6.570 -22.655 1.00 52.51 H new ATOM 0 HB3 GLU A 622 -3.079 -6.961 -22.863 1.00 52.51 H new ATOM 0 HG2 GLU A 622 -1.922 -4.851 -21.004 1.00 41.00 H new ATOM 0 HG3 GLU A 622 -2.815 -4.563 -22.484 1.00 41.00 H new ATOM 1894 N GLU A 623 -1.493 -9.953 -20.767 1.00 43.34 N ATOM 1895 CA GLU A 623 -1.259 -11.307 -21.192 1.00 64.31 C ATOM 1896 C GLU A 623 -2.226 -12.253 -20.524 1.00 44.23 C ATOM 1897 O GLU A 623 -2.433 -12.183 -19.303 1.00 32.31 O ATOM 1898 CB GLU A 623 0.162 -11.751 -20.862 1.00 62.54 C ATOM 1899 CG GLU A 623 1.244 -10.879 -21.447 1.00 11.05 C ATOM 1900 CD GLU A 623 2.607 -11.464 -21.251 1.00 72.51 C ATOM 1901 OE1 GLU A 623 3.236 -11.244 -20.202 1.00 4.42 O ATOM 1902 OE2 GLU A 623 3.073 -12.195 -22.154 1.00 33.22 O ATOM 0 H GLU A 623 -1.173 -9.742 -19.822 1.00 43.34 H new ATOM 0 HA GLU A 623 -1.404 -11.333 -22.272 1.00 64.31 H new ATOM 0 HB2 GLU A 623 0.279 -11.775 -19.779 1.00 62.54 H new ATOM 0 HB3 GLU A 623 0.302 -12.771 -21.220 1.00 62.54 H new ATOM 0 HG2 GLU A 623 1.060 -10.739 -22.512 1.00 11.05 H new ATOM 0 HG3 GLU A 623 1.204 -9.893 -20.985 1.00 11.05 H new ATOM 1909 N GLU A 624 -2.778 -13.162 -21.309 1.00 5.33 N ATOM 1910 CA GLU A 624 -3.668 -14.208 -20.809 1.00 34.21 C ATOM 1911 C GLU A 624 -2.895 -15.081 -19.826 1.00 43.43 C ATOM 1912 O GLU A 624 -3.405 -15.483 -18.787 1.00 31.41 O ATOM 1913 CB GLU A 624 -4.161 -15.056 -21.986 1.00 3.24 C ATOM 1914 CG GLU A 624 -5.114 -16.174 -21.618 1.00 34.31 C ATOM 1915 CD GLU A 624 -5.536 -16.974 -22.818 1.00 32.24 C ATOM 1916 OE1 GLU A 624 -6.440 -16.533 -23.553 1.00 34.35 O ATOM 1917 OE2 GLU A 624 -4.990 -18.076 -23.043 1.00 61.33 O ATOM 0 H GLU A 624 -2.624 -13.200 -22.317 1.00 5.33 H new ATOM 0 HA GLU A 624 -4.527 -13.764 -20.305 1.00 34.21 H new ATOM 0 HB2 GLU A 624 -4.654 -14.401 -22.704 1.00 3.24 H new ATOM 0 HB3 GLU A 624 -3.296 -15.488 -22.490 1.00 3.24 H new ATOM 0 HG2 GLU A 624 -4.636 -16.833 -20.893 1.00 34.31 H new ATOM 0 HG3 GLU A 624 -5.996 -15.754 -21.134 1.00 34.31 H new ATOM 1924 N GLU A 625 -1.636 -15.299 -20.158 1.00 71.45 N ATOM 1925 CA GLU A 625 -0.711 -16.096 -19.368 1.00 65.33 C ATOM 1926 C GLU A 625 -0.579 -15.511 -17.953 1.00 32.23 C ATOM 1927 O GLU A 625 -0.489 -16.237 -16.961 1.00 2.13 O ATOM 1928 CB GLU A 625 0.661 -16.074 -20.054 1.00 72.42 C ATOM 1929 CG GLU A 625 1.648 -17.109 -19.552 1.00 74.33 C ATOM 1930 CD GLU A 625 1.166 -18.525 -19.776 1.00 73.21 C ATOM 1931 OE1 GLU A 625 1.090 -18.973 -20.953 1.00 12.44 O ATOM 1932 OE2 GLU A 625 0.893 -19.225 -18.803 1.00 62.14 O ATOM 0 H GLU A 625 -1.216 -14.918 -21.006 1.00 71.45 H new ATOM 0 HA GLU A 625 -1.084 -17.117 -19.293 1.00 65.33 H new ATOM 0 HB2 GLU A 625 0.517 -16.221 -21.124 1.00 72.42 H new ATOM 0 HB3 GLU A 625 1.099 -15.084 -19.924 1.00 72.42 H new ATOM 0 HG2 GLU A 625 2.604 -16.970 -20.057 1.00 74.33 H new ATOM 0 HG3 GLU A 625 1.824 -16.953 -18.488 1.00 74.33 H new ATOM 1939 N ARG A 626 -0.632 -14.187 -17.857 1.00 15.01 N ATOM 1940 CA ARG A 626 -0.421 -13.540 -16.596 1.00 24.24 C ATOM 1941 C ARG A 626 -1.676 -13.648 -15.745 1.00 71.25 C ATOM 1942 O ARG A 626 -1.583 -13.728 -14.541 1.00 2.52 O ATOM 1943 CB ARG A 626 -0.026 -12.086 -16.791 1.00 64.33 C ATOM 1944 CG ARG A 626 0.816 -11.500 -15.659 1.00 73.40 C ATOM 1945 CD ARG A 626 2.181 -12.184 -15.581 1.00 44.04 C ATOM 1946 NE ARG A 626 2.895 -12.114 -16.874 1.00 74.42 N ATOM 1947 CZ ARG A 626 4.109 -12.629 -17.130 1.00 61.13 C ATOM 1948 NH1 ARG A 626 4.820 -13.209 -16.164 1.00 34.32 N ATOM 1949 NH2 ARG A 626 4.617 -12.534 -18.348 1.00 45.22 N ATOM 0 H ARG A 626 -0.818 -13.558 -18.638 1.00 15.01 H new ATOM 0 HA ARG A 626 0.399 -14.040 -16.080 1.00 24.24 H new ATOM 0 HB2 ARG A 626 0.530 -11.996 -17.724 1.00 64.33 H new ATOM 0 HB3 ARG A 626 -0.931 -11.488 -16.900 1.00 64.33 H new ATOM 0 HG2 ARG A 626 0.950 -10.430 -15.817 1.00 73.40 H new ATOM 0 HG3 ARG A 626 0.291 -11.619 -14.711 1.00 73.40 H new ATOM 0 HD2 ARG A 626 2.783 -11.711 -14.805 1.00 44.04 H new ATOM 0 HD3 ARG A 626 2.051 -13.227 -15.292 1.00 44.04 H new ATOM 0 HE ARG A 626 2.424 -11.632 -17.640 1.00 74.42 H new ATOM 0 HH11 ARG A 626 4.444 -13.266 -15.218 1.00 34.32 H new ATOM 0 HH12 ARG A 626 5.741 -13.596 -16.371 1.00 34.32 H new ATOM 0 HH21 ARG A 626 4.087 -12.072 -19.087 1.00 45.22 H new ATOM 0 HH22 ARG A 626 5.538 -12.923 -18.548 1.00 45.22 H new ATOM 1963 N ARG A 627 -2.846 -13.716 -16.396 1.00 1.14 N ATOM 1964 CA ARG A 627 -4.136 -13.862 -15.688 1.00 71.23 C ATOM 1965 C ARG A 627 -4.142 -15.145 -14.903 1.00 70.13 C ATOM 1966 O ARG A 627 -4.625 -15.218 -13.775 1.00 1.21 O ATOM 1967 CB ARG A 627 -5.311 -13.884 -16.672 1.00 14.35 C ATOM 1968 CG ARG A 627 -5.469 -12.617 -17.470 1.00 23.41 C ATOM 1969 CD ARG A 627 -5.704 -11.450 -16.556 1.00 3.12 C ATOM 1970 NE ARG A 627 -6.980 -11.546 -15.811 1.00 34.25 N ATOM 1971 CZ ARG A 627 -7.139 -11.265 -14.505 1.00 73.33 C ATOM 1972 NH1 ARG A 627 -6.100 -10.915 -13.765 1.00 52.34 N ATOM 1973 NH2 ARG A 627 -8.347 -11.347 -13.943 1.00 64.14 N ATOM 0 H ARG A 627 -2.931 -13.673 -17.412 1.00 1.14 H new ATOM 0 HA ARG A 627 -4.249 -13.007 -15.022 1.00 71.23 H new ATOM 0 HB2 ARG A 627 -5.179 -14.720 -17.359 1.00 14.35 H new ATOM 0 HB3 ARG A 627 -6.231 -14.069 -16.118 1.00 14.35 H new ATOM 0 HG2 ARG A 627 -4.576 -12.443 -18.070 1.00 23.41 H new ATOM 0 HG3 ARG A 627 -6.304 -12.718 -18.164 1.00 23.41 H new ATOM 0 HD2 ARG A 627 -4.880 -11.380 -15.846 1.00 3.12 H new ATOM 0 HD3 ARG A 627 -5.700 -10.531 -17.141 1.00 3.12 H new ATOM 0 HE ARG A 627 -7.804 -11.849 -16.329 1.00 34.25 H new ATOM 0 HH11 ARG A 627 -5.172 -10.857 -14.184 1.00 52.34 H new ATOM 0 HH12 ARG A 627 -6.227 -10.703 -12.775 1.00 52.34 H new ATOM 0 HH21 ARG A 627 -9.153 -11.623 -14.504 1.00 64.14 H new ATOM 0 HH22 ARG A 627 -8.464 -11.133 -12.953 1.00 64.14 H new ATOM 1987 N ILE A 628 -3.567 -16.132 -15.509 1.00 5.22 N ATOM 1988 CA ILE A 628 -3.451 -17.446 -14.959 1.00 11.34 C ATOM 1989 C ILE A 628 -2.533 -17.430 -13.736 1.00 23.30 C ATOM 1990 O ILE A 628 -2.832 -18.051 -12.695 1.00 12.30 O ATOM 1991 CB ILE A 628 -2.899 -18.367 -16.040 1.00 30.31 C ATOM 1992 CG1 ILE A 628 -3.856 -18.314 -17.244 1.00 60.24 C ATOM 1993 CG2 ILE A 628 -2.715 -19.780 -15.504 1.00 32.32 C ATOM 1994 CD1 ILE A 628 -3.368 -19.057 -18.473 1.00 63.01 C ATOM 0 H ILE A 628 -3.149 -16.043 -16.435 1.00 5.22 H new ATOM 0 HA ILE A 628 -4.427 -17.806 -14.633 1.00 11.34 H new ATOM 0 HB ILE A 628 -1.911 -18.036 -16.360 1.00 30.31 H new ATOM 0 HG12 ILE A 628 -4.819 -18.728 -16.944 1.00 60.24 H new ATOM 0 HG13 ILE A 628 -4.026 -17.271 -17.510 1.00 60.24 H new ATOM 0 HG21 ILE A 628 -2.320 -20.420 -16.293 1.00 32.32 H new ATOM 0 HG22 ILE A 628 -2.017 -19.764 -14.667 1.00 32.32 H new ATOM 0 HG23 ILE A 628 -3.676 -20.170 -15.168 1.00 32.32 H new ATOM 0 HD11 ILE A 628 -4.106 -18.965 -19.270 1.00 63.01 H new ATOM 0 HD12 ILE A 628 -2.421 -18.630 -18.804 1.00 63.01 H new ATOM 0 HD13 ILE A 628 -3.226 -20.110 -18.229 1.00 63.01 H new ATOM 2006 N ALA A 629 -1.453 -16.694 -13.845 1.00 3.21 N ATOM 2007 CA ALA A 629 -0.520 -16.548 -12.754 1.00 54.33 C ATOM 2008 C ALA A 629 -1.156 -15.740 -11.615 1.00 41.31 C ATOM 2009 O ALA A 629 -1.036 -16.099 -10.450 1.00 14.12 O ATOM 2010 CB ALA A 629 0.767 -15.897 -13.235 1.00 24.32 C ATOM 0 H ALA A 629 -1.197 -16.181 -14.689 1.00 3.21 H new ATOM 0 HA ALA A 629 -0.271 -17.538 -12.371 1.00 54.33 H new ATOM 0 HB1 ALA A 629 1.458 -15.795 -12.398 1.00 24.32 H new ATOM 0 HB2 ALA A 629 1.222 -16.517 -14.008 1.00 24.32 H new ATOM 0 HB3 ALA A 629 0.545 -14.911 -13.644 1.00 24.32 H new ATOM 2016 N GLU A 630 -1.895 -14.691 -11.977 1.00 2.02 N ATOM 2017 CA GLU A 630 -2.585 -13.807 -11.001 1.00 50.35 C ATOM 2018 C GLU A 630 -3.689 -14.553 -10.266 1.00 4.51 C ATOM 2019 O GLU A 630 -4.175 -14.115 -9.238 1.00 51.41 O ATOM 2020 CB GLU A 630 -3.233 -12.609 -11.693 1.00 14.43 C ATOM 2021 CG GLU A 630 -2.296 -11.632 -12.360 1.00 61.00 C ATOM 2022 CD GLU A 630 -3.073 -10.518 -13.003 1.00 51.44 C ATOM 2023 OE1 GLU A 630 -3.398 -9.524 -12.317 1.00 44.21 O ATOM 2024 OE2 GLU A 630 -3.429 -10.627 -14.195 1.00 51.01 O ATOM 0 H GLU A 630 -2.040 -14.420 -12.949 1.00 2.02 H new ATOM 0 HA GLU A 630 -1.819 -13.471 -10.301 1.00 50.35 H new ATOM 0 HB2 GLU A 630 -3.928 -12.983 -12.445 1.00 14.43 H new ATOM 0 HB3 GLU A 630 -3.824 -12.066 -10.955 1.00 14.43 H new ATOM 0 HG2 GLU A 630 -1.603 -11.223 -11.625 1.00 61.00 H new ATOM 0 HG3 GLU A 630 -1.697 -12.147 -13.111 1.00 61.00 H new ATOM 2031 N MET A 631 -4.118 -15.632 -10.838 1.00 64.30 N ATOM 2032 CA MET A 631 -5.140 -16.440 -10.289 1.00 15.12 C ATOM 2033 C MET A 631 -4.585 -17.286 -9.140 1.00 73.52 C ATOM 2034 O MET A 631 -5.290 -17.595 -8.182 1.00 53.40 O ATOM 2035 CB MET A 631 -5.668 -17.306 -11.412 1.00 74.20 C ATOM 2036 CG MET A 631 -6.736 -18.267 -11.032 1.00 2.40 C ATOM 2037 SD MET A 631 -7.287 -19.242 -12.446 1.00 32.23 S ATOM 2038 CE MET A 631 -5.764 -20.067 -12.917 1.00 4.00 C ATOM 0 H MET A 631 -3.752 -15.978 -11.725 1.00 64.30 H new ATOM 0 HA MET A 631 -5.946 -15.835 -9.873 1.00 15.12 H new ATOM 0 HB2 MET A 631 -6.051 -16.656 -12.199 1.00 74.20 H new ATOM 0 HB3 MET A 631 -4.835 -17.865 -11.838 1.00 74.20 H new ATOM 0 HG2 MET A 631 -6.366 -18.933 -10.252 1.00 2.40 H new ATOM 0 HG3 MET A 631 -7.582 -17.724 -10.612 1.00 2.40 H new ATOM 0 HE1 MET A 631 -5.972 -21.112 -13.146 1.00 4.00 H new ATOM 0 HE2 MET A 631 -5.343 -19.580 -13.797 1.00 4.00 H new ATOM 0 HE3 MET A 631 -5.050 -20.011 -12.095 1.00 4.00 H new ATOM 2048 N GLY A 632 -3.318 -17.627 -9.223 1.00 42.50 N ATOM 2049 CA GLY A 632 -2.716 -18.453 -8.201 1.00 71.03 C ATOM 2050 C GLY A 632 -1.918 -17.648 -7.209 1.00 70.32 C ATOM 2051 O GLY A 632 -1.766 -18.047 -6.052 1.00 23.11 O ATOM 0 H GLY A 632 -2.691 -17.349 -9.978 1.00 42.50 H new ATOM 0 HA2 GLY A 632 -3.497 -19.002 -7.675 1.00 71.03 H new ATOM 0 HA3 GLY A 632 -2.067 -19.192 -8.671 1.00 71.03 H new ATOM 2055 N ARG A 633 -1.419 -16.526 -7.651 1.00 11.43 N ATOM 2056 CA ARG A 633 -0.593 -15.671 -6.826 1.00 31.33 C ATOM 2057 C ARG A 633 -1.414 -14.504 -6.337 1.00 12.02 C ATOM 2058 O ARG A 633 -2.361 -14.104 -6.994 1.00 61.41 O ATOM 2059 CB ARG A 633 0.599 -15.162 -7.635 1.00 71.21 C ATOM 2060 CG ARG A 633 1.390 -16.274 -8.263 1.00 21.23 C ATOM 2061 CD ARG A 633 2.558 -15.771 -9.070 1.00 64.44 C ATOM 2062 NE ARG A 633 3.147 -16.882 -9.807 1.00 32.12 N ATOM 2063 CZ ARG A 633 4.316 -17.460 -9.545 1.00 70.33 C ATOM 2064 NH1 ARG A 633 5.157 -16.926 -8.664 1.00 60.32 N ATOM 2065 NH2 ARG A 633 4.649 -18.551 -10.203 1.00 42.22 N ATOM 0 H ARG A 633 -1.571 -16.173 -8.596 1.00 11.43 H new ATOM 0 HA ARG A 633 -0.224 -16.239 -5.972 1.00 31.33 H new ATOM 0 HB2 ARG A 633 0.243 -14.489 -8.415 1.00 71.21 H new ATOM 0 HB3 ARG A 633 1.252 -14.579 -6.985 1.00 71.21 H new ATOM 0 HG2 ARG A 633 1.754 -16.942 -7.482 1.00 21.23 H new ATOM 0 HG3 ARG A 633 0.735 -16.862 -8.906 1.00 21.23 H new ATOM 0 HD2 ARG A 633 2.230 -14.994 -9.761 1.00 64.44 H new ATOM 0 HD3 ARG A 633 3.302 -15.320 -8.413 1.00 64.44 H new ATOM 0 HE ARG A 633 2.614 -17.250 -10.595 1.00 32.12 H new ATOM 0 HH11 ARG A 633 4.909 -16.063 -8.180 1.00 60.32 H new ATOM 0 HH12 ARG A 633 6.050 -17.379 -8.472 1.00 60.32 H new ATOM 0 HH21 ARG A 633 4.014 -18.939 -10.901 1.00 42.22 H new ATOM 0 HH22 ARG A 633 5.542 -19.008 -10.015 1.00 42.22 H new ATOM 2079 N PRO A 634 -1.106 -13.974 -5.160 1.00 42.45 N ATOM 2080 CA PRO A 634 -1.805 -12.817 -4.642 1.00 44.22 C ATOM 2081 C PRO A 634 -1.364 -11.563 -5.364 1.00 43.35 C ATOM 2082 O PRO A 634 -0.191 -11.417 -5.725 1.00 55.13 O ATOM 2083 CB PRO A 634 -1.416 -12.780 -3.165 1.00 11.22 C ATOM 2084 CG PRO A 634 -0.117 -13.516 -3.074 1.00 22.50 C ATOM 2085 CD PRO A 634 -0.049 -14.453 -4.246 1.00 11.10 C ATOM 0 HA PRO A 634 -2.885 -12.874 -4.780 1.00 44.22 H new ATOM 0 HB2 PRO A 634 -1.311 -11.754 -2.813 1.00 11.22 H new ATOM 0 HB3 PRO A 634 -2.179 -13.253 -2.547 1.00 11.22 H new ATOM 0 HG2 PRO A 634 0.721 -12.819 -3.091 1.00 22.50 H new ATOM 0 HG3 PRO A 634 -0.054 -14.069 -2.137 1.00 22.50 H new ATOM 0 HD2 PRO A 634 0.931 -14.424 -4.722 1.00 11.10 H new ATOM 0 HD3 PRO A 634 -0.225 -15.485 -3.941 1.00 11.10 H new ATOM 2093 N ILE A 635 -2.285 -10.682 -5.595 1.00 40.03 N ATOM 2094 CA ILE A 635 -1.990 -9.473 -6.313 1.00 73.33 C ATOM 2095 C ILE A 635 -2.558 -8.280 -5.570 1.00 41.33 C ATOM 2096 O ILE A 635 -3.023 -8.399 -4.426 1.00 25.12 O ATOM 2097 CB ILE A 635 -2.508 -9.474 -7.812 1.00 24.12 C ATOM 2098 CG1 ILE A 635 -4.040 -9.357 -7.953 1.00 24.41 C ATOM 2099 CG2 ILE A 635 -1.979 -10.660 -8.607 1.00 15.25 C ATOM 2100 CD1 ILE A 635 -4.820 -10.408 -7.277 1.00 75.22 C ATOM 0 H ILE A 635 -3.256 -10.774 -5.296 1.00 40.03 H new ATOM 0 HA ILE A 635 -0.903 -9.407 -6.367 1.00 73.33 H new ATOM 0 HB ILE A 635 -2.094 -8.562 -8.243 1.00 24.12 H new ATOM 0 HG12 ILE A 635 -4.351 -8.389 -7.561 1.00 24.41 H new ATOM 0 HG13 ILE A 635 -4.292 -9.367 -9.013 1.00 24.41 H new ATOM 0 HG21 ILE A 635 -2.362 -10.615 -9.626 1.00 15.25 H new ATOM 0 HG22 ILE A 635 -0.890 -10.628 -8.627 1.00 15.25 H new ATOM 0 HG23 ILE A 635 -2.306 -11.588 -8.137 1.00 15.25 H new ATOM 0 HD11 ILE A 635 -5.884 -10.232 -7.438 1.00 75.22 H new ATOM 0 HD12 ILE A 635 -4.547 -11.382 -7.683 1.00 75.22 H new ATOM 0 HD13 ILE A 635 -4.607 -10.388 -6.208 1.00 75.22 H new ATOM 2112 N LEU A 636 -2.522 -7.151 -6.205 1.00 21.11 N ATOM 2113 CA LEU A 636 -2.998 -5.943 -5.620 1.00 73.34 C ATOM 2114 C LEU A 636 -4.504 -5.806 -5.789 1.00 30.42 C ATOM 2115 O LEU A 636 -5.118 -6.471 -6.633 1.00 74.34 O ATOM 2116 CB LEU A 636 -2.225 -4.704 -6.168 1.00 60.13 C ATOM 2117 CG LEU A 636 -2.463 -4.196 -7.636 1.00 31.12 C ATOM 2118 CD1 LEU A 636 -2.558 -5.307 -8.669 1.00 61.31 C ATOM 2119 CD2 LEU A 636 -3.637 -3.235 -7.734 1.00 15.42 C ATOM 0 H LEU A 636 -2.158 -7.044 -7.152 1.00 21.11 H new ATOM 0 HA LEU A 636 -2.802 -5.987 -4.549 1.00 73.34 H new ATOM 0 HB2 LEU A 636 -2.441 -3.870 -5.501 1.00 60.13 H new ATOM 0 HB3 LEU A 636 -1.161 -4.921 -6.072 1.00 60.13 H new ATOM 0 HG LEU A 636 -1.561 -3.639 -7.887 1.00 31.12 H new ATOM 0 HD11 LEU A 636 -2.723 -4.874 -9.655 1.00 61.31 H new ATOM 0 HD12 LEU A 636 -1.630 -5.879 -8.674 1.00 61.31 H new ATOM 0 HD13 LEU A 636 -3.389 -5.966 -8.419 1.00 61.31 H new ATOM 0 HD21 LEU A 636 -3.759 -2.914 -8.768 1.00 15.42 H new ATOM 0 HD22 LEU A 636 -4.546 -3.736 -7.400 1.00 15.42 H new ATOM 0 HD23 LEU A 636 -3.449 -2.366 -7.104 1.00 15.42 H new ATOM 2131 N GLY A 637 -5.081 -4.974 -4.976 1.00 34.23 N ATOM 2132 CA GLY A 637 -6.482 -4.714 -5.057 1.00 64.42 C ATOM 2133 C GLY A 637 -6.788 -3.651 -6.045 1.00 12.14 C ATOM 2134 O GLY A 637 -6.850 -3.905 -7.251 1.00 2.44 O ATOM 0 H GLY A 637 -4.595 -4.459 -4.242 1.00 34.23 H new ATOM 0 HA2 GLY A 637 -7.006 -5.629 -5.333 1.00 64.42 H new ATOM 0 HA3 GLY A 637 -6.854 -4.417 -4.076 1.00 64.42 H new ATOM 2138 N GLU A 638 -6.973 -2.473 -5.577 1.00 72.13 N ATOM 2139 CA GLU A 638 -7.286 -1.407 -6.458 1.00 51.44 C ATOM 2140 C GLU A 638 -6.166 -0.391 -6.465 1.00 51.41 C ATOM 2141 O GLU A 638 -5.659 -0.010 -7.528 1.00 54.11 O ATOM 2142 CB GLU A 638 -8.605 -0.770 -6.054 1.00 55.23 C ATOM 2143 CG GLU A 638 -9.174 0.186 -7.091 1.00 23.32 C ATOM 2144 CD GLU A 638 -9.463 -0.519 -8.403 1.00 54.55 C ATOM 2145 OE1 GLU A 638 -10.566 -1.078 -8.559 1.00 65.41 O ATOM 2146 OE2 GLU A 638 -8.582 -0.557 -9.287 1.00 73.54 O ATOM 0 H GLU A 638 -6.914 -2.221 -4.591 1.00 72.13 H new ATOM 0 HA GLU A 638 -7.393 -1.796 -7.470 1.00 51.44 H new ATOM 0 HB2 GLU A 638 -9.334 -1.558 -5.863 1.00 55.23 H new ATOM 0 HB3 GLU A 638 -8.465 -0.231 -5.117 1.00 55.23 H new ATOM 0 HG2 GLU A 638 -10.091 0.634 -6.709 1.00 23.32 H new ATOM 0 HG3 GLU A 638 -8.469 0.999 -7.262 1.00 23.32 H new ATOM 2153 N HIS A 639 -5.739 0.013 -5.299 1.00 15.11 N ATOM 2154 CA HIS A 639 -4.734 1.037 -5.212 1.00 3.10 C ATOM 2155 C HIS A 639 -3.595 0.676 -4.274 1.00 34.51 C ATOM 2156 O HIS A 639 -3.787 0.428 -3.069 1.00 45.11 O ATOM 2157 CB HIS A 639 -5.346 2.417 -4.858 1.00 32.45 C ATOM 2158 CG HIS A 639 -6.142 2.457 -3.579 1.00 54.51 C ATOM 2159 ND1 HIS A 639 -5.665 2.954 -2.388 1.00 61.11 N ATOM 2160 CD2 HIS A 639 -7.413 2.063 -3.332 1.00 20.21 C ATOM 2161 CE1 HIS A 639 -6.633 2.848 -1.482 1.00 13.23 C ATOM 2162 NE2 HIS A 639 -7.718 2.311 -2.003 1.00 22.14 N ATOM 0 H HIS A 639 -6.068 -0.348 -4.403 1.00 15.11 H new ATOM 0 HA HIS A 639 -4.298 1.113 -6.208 1.00 3.10 H new ATOM 0 HB2 HIS A 639 -4.540 3.147 -4.788 1.00 32.45 H new ATOM 0 HB3 HIS A 639 -5.991 2.732 -5.678 1.00 32.45 H new ATOM 0 HD2 HIS A 639 -8.084 1.625 -4.056 1.00 20.21 H new ATOM 0 HE1 HIS A 639 -6.542 3.161 -0.453 1.00 13.23 H new ATOM 0 HE2 HIS A 639 -8.599 2.118 -1.527 1.00 22.14 H new ATOM 2170 N THR A 640 -2.427 0.616 -4.829 1.00 25.03 N ATOM 2171 CA THR A 640 -1.247 0.427 -4.078 1.00 42.01 C ATOM 2172 C THR A 640 -0.411 1.676 -4.229 1.00 65.14 C ATOM 2173 O THR A 640 0.359 1.817 -5.174 1.00 34.12 O ATOM 2174 CB THR A 640 -0.480 -0.811 -4.558 1.00 13.24 C ATOM 2175 OG1 THR A 640 -0.335 -0.755 -5.984 1.00 31.43 O ATOM 2176 CG2 THR A 640 -1.238 -2.064 -4.180 1.00 24.01 C ATOM 0 H THR A 640 -2.273 0.699 -5.834 1.00 25.03 H new ATOM 0 HA THR A 640 -1.489 0.257 -3.029 1.00 42.01 H new ATOM 0 HB THR A 640 0.503 -0.831 -4.087 1.00 13.24 H new ATOM 0 HG1 THR A 640 -0.045 0.143 -6.248 1.00 31.43 H new ATOM 0 HG21 THR A 640 -0.688 -2.940 -4.524 1.00 24.01 H new ATOM 0 HG22 THR A 640 -1.350 -2.108 -3.097 1.00 24.01 H new ATOM 0 HG23 THR A 640 -2.223 -2.048 -4.647 1.00 24.01 H new ATOM 2184 N LYS A 641 -0.618 2.580 -3.329 1.00 2.44 N ATOM 2185 CA LYS A 641 -0.018 3.880 -3.331 1.00 4.34 C ATOM 2186 C LYS A 641 -0.439 4.541 -2.062 1.00 21.10 C ATOM 2187 O LYS A 641 -1.582 4.380 -1.644 1.00 4.20 O ATOM 2188 CB LYS A 641 -0.550 4.718 -4.534 1.00 35.04 C ATOM 2189 CG LYS A 641 -0.149 6.202 -4.538 1.00 12.21 C ATOM 2190 CD LYS A 641 1.343 6.416 -4.734 1.00 20.35 C ATOM 2191 CE LYS A 641 1.702 7.893 -4.628 1.00 71.52 C ATOM 2192 NZ LYS A 641 0.993 8.754 -5.605 1.00 22.41 N ATOM 0 H LYS A 641 -1.239 2.428 -2.534 1.00 2.44 H new ATOM 0 HA LYS A 641 1.066 3.805 -3.415 1.00 4.34 H new ATOM 0 HB2 LYS A 641 -0.194 4.261 -5.458 1.00 35.04 H new ATOM 0 HB3 LYS A 641 -1.638 4.654 -4.545 1.00 35.04 H new ATOM 0 HG2 LYS A 641 -0.691 6.717 -5.331 1.00 12.21 H new ATOM 0 HG3 LYS A 641 -0.455 6.657 -3.596 1.00 12.21 H new ATOM 0 HD2 LYS A 641 1.897 5.849 -3.986 1.00 20.35 H new ATOM 0 HD3 LYS A 641 1.644 6.034 -5.710 1.00 20.35 H new ATOM 0 HE2 LYS A 641 1.475 8.241 -3.620 1.00 71.52 H new ATOM 0 HE3 LYS A 641 2.777 8.007 -4.770 1.00 71.52 H new ATOM 0 HZ1 LYS A 641 1.337 9.732 -5.519 1.00 22.41 H new ATOM 0 HZ2 LYS A 641 1.173 8.407 -6.569 1.00 22.41 H new ATOM 0 HZ3 LYS A 641 -0.029 8.728 -5.413 1.00 22.41 H new ATOM 2206 N LEU A 642 0.463 5.187 -1.429 1.00 40.14 N ATOM 2207 CA LEU A 642 0.156 5.977 -0.293 1.00 11.00 C ATOM 2208 C LEU A 642 0.981 7.223 -0.361 1.00 34.10 C ATOM 2209 O LEU A 642 2.190 7.185 -0.169 1.00 64.32 O ATOM 2210 CB LEU A 642 0.453 5.252 0.994 1.00 73.13 C ATOM 2211 CG LEU A 642 0.134 6.032 2.258 1.00 33.23 C ATOM 2212 CD1 LEU A 642 -1.357 6.183 2.461 1.00 11.12 C ATOM 2213 CD2 LEU A 642 0.782 5.411 3.455 1.00 14.32 C ATOM 0 H LEU A 642 1.450 5.185 -1.686 1.00 40.14 H new ATOM 0 HA LEU A 642 -0.910 6.204 -0.301 1.00 11.00 H new ATOM 0 HB2 LEU A 642 -0.112 4.320 1.008 1.00 73.13 H new ATOM 0 HB3 LEU A 642 1.509 4.984 1.007 1.00 73.13 H new ATOM 0 HG LEU A 642 0.548 7.033 2.134 1.00 33.23 H new ATOM 0 HD11 LEU A 642 -1.545 6.746 3.375 1.00 11.12 H new ATOM 0 HD12 LEU A 642 -1.788 6.714 1.612 1.00 11.12 H new ATOM 0 HD13 LEU A 642 -1.815 5.197 2.542 1.00 11.12 H new ATOM 0 HD21 LEU A 642 0.536 5.991 4.344 1.00 14.32 H new ATOM 0 HD22 LEU A 642 0.420 4.390 3.576 1.00 14.32 H new ATOM 0 HD23 LEU A 642 1.863 5.399 3.318 1.00 14.32 H new ATOM 2225 N GLU A 643 0.357 8.283 -0.699 1.00 22.43 N ATOM 2226 CA GLU A 643 1.000 9.539 -0.773 1.00 61.33 C ATOM 2227 C GLU A 643 0.775 10.221 0.561 1.00 20.14 C ATOM 2228 O GLU A 643 -0.349 10.606 0.898 1.00 5.23 O ATOM 2229 CB GLU A 643 0.407 10.319 -1.941 1.00 12.23 C ATOM 2230 CG GLU A 643 1.193 11.527 -2.378 1.00 70.13 C ATOM 2231 CD GLU A 643 0.757 11.990 -3.737 1.00 33.13 C ATOM 2232 OE1 GLU A 643 1.111 11.315 -4.737 1.00 54.43 O ATOM 2233 OE2 GLU A 643 0.041 13.008 -3.847 1.00 64.13 O ATOM 0 H GLU A 643 -0.635 8.306 -0.937 1.00 22.43 H new ATOM 0 HA GLU A 643 2.072 9.460 -0.953 1.00 61.33 H new ATOM 0 HB2 GLU A 643 0.306 9.645 -2.792 1.00 12.23 H new ATOM 0 HB3 GLU A 643 -0.598 10.640 -1.668 1.00 12.23 H new ATOM 0 HG2 GLU A 643 1.060 12.332 -1.656 1.00 70.13 H new ATOM 0 HG3 GLU A 643 2.256 11.287 -2.396 1.00 70.13 H new ATOM 2240 N VAL A 644 1.805 10.253 1.363 1.00 4.45 N ATOM 2241 CA VAL A 644 1.711 10.817 2.679 1.00 45.24 C ATOM 2242 C VAL A 644 2.141 12.252 2.642 1.00 1.31 C ATOM 2243 O VAL A 644 3.333 12.538 2.486 1.00 10.13 O ATOM 2244 CB VAL A 644 2.622 10.074 3.659 1.00 31.22 C ATOM 2245 CG1 VAL A 644 2.407 10.581 5.078 1.00 34.33 C ATOM 2246 CG2 VAL A 644 2.405 8.576 3.557 1.00 21.34 C ATOM 0 H VAL A 644 2.728 9.890 1.123 1.00 4.45 H new ATOM 0 HA VAL A 644 0.676 10.731 3.008 1.00 45.24 H new ATOM 0 HB VAL A 644 3.660 10.273 3.394 1.00 31.22 H new ATOM 0 HG11 VAL A 644 3.063 10.041 5.761 1.00 34.33 H new ATOM 0 HG12 VAL A 644 2.635 11.646 5.122 1.00 34.33 H new ATOM 0 HG13 VAL A 644 1.369 10.419 5.369 1.00 34.33 H new ATOM 0 HG21 VAL A 644 3.061 8.065 4.261 1.00 21.34 H new ATOM 0 HG22 VAL A 644 1.367 8.342 3.793 1.00 21.34 H new ATOM 0 HG23 VAL A 644 2.631 8.244 2.544 1.00 21.34 H new ATOM 2256 N ILE A 645 1.212 13.144 2.736 1.00 72.22 N ATOM 2257 CA ILE A 645 1.535 14.533 2.728 1.00 71.43 C ATOM 2258 C ILE A 645 1.783 14.967 4.165 1.00 54.42 C ATOM 2259 O ILE A 645 0.955 14.717 5.056 1.00 41.11 O ATOM 2260 CB ILE A 645 0.437 15.434 2.062 1.00 4.11 C ATOM 2261 CG1 ILE A 645 0.197 15.077 0.565 1.00 53.02 C ATOM 2262 CG2 ILE A 645 0.817 16.898 2.179 1.00 41.13 C ATOM 2263 CD1 ILE A 645 -0.605 13.810 0.315 1.00 32.14 C ATOM 0 H ILE A 645 0.217 12.935 2.820 1.00 72.22 H new ATOM 0 HA ILE A 645 2.426 14.667 2.115 1.00 71.43 H new ATOM 0 HB ILE A 645 -0.493 15.245 2.598 1.00 4.11 H new ATOM 0 HG12 ILE A 645 -0.317 15.912 0.088 1.00 53.02 H new ATOM 0 HG13 ILE A 645 1.165 14.976 0.074 1.00 53.02 H new ATOM 0 HG21 ILE A 645 0.047 17.512 1.713 1.00 41.13 H new ATOM 0 HG22 ILE A 645 0.908 17.167 3.231 1.00 41.13 H new ATOM 0 HG23 ILE A 645 1.770 17.068 1.677 1.00 41.13 H new ATOM 0 HD11 ILE A 645 -0.714 13.654 -0.758 1.00 32.14 H new ATOM 0 HD12 ILE A 645 -0.086 12.958 0.755 1.00 32.14 H new ATOM 0 HD13 ILE A 645 -1.591 13.908 0.769 1.00 32.14 H new ATOM 2275 N ILE A 646 2.917 15.563 4.399 1.00 50.05 N ATOM 2276 CA ILE A 646 3.284 15.962 5.733 1.00 74.24 C ATOM 2277 C ILE A 646 3.107 17.450 5.834 1.00 13.21 C ATOM 2278 O ILE A 646 3.384 18.175 4.868 1.00 55.33 O ATOM 2279 CB ILE A 646 4.770 15.602 6.112 1.00 14.31 C ATOM 2280 CG1 ILE A 646 5.174 14.207 5.591 1.00 1.55 C ATOM 2281 CG2 ILE A 646 4.971 15.661 7.633 1.00 23.30 C ATOM 2282 CD1 ILE A 646 5.603 14.197 4.130 1.00 5.20 C ATOM 0 H ILE A 646 3.608 15.785 3.682 1.00 50.05 H new ATOM 0 HA ILE A 646 2.644 15.418 6.427 1.00 74.24 H new ATOM 0 HB ILE A 646 5.410 16.343 5.633 1.00 14.31 H new ATOM 0 HG12 ILE A 646 5.991 13.824 6.202 1.00 1.55 H new ATOM 0 HG13 ILE A 646 4.334 13.525 5.718 1.00 1.55 H new ATOM 0 HG21 ILE A 646 6.004 15.409 7.874 1.00 23.30 H new ATOM 0 HG22 ILE A 646 4.750 16.667 7.990 1.00 23.30 H new ATOM 0 HG23 ILE A 646 4.302 14.949 8.116 1.00 23.30 H new ATOM 0 HD11 ILE A 646 5.872 13.182 3.837 1.00 5.20 H new ATOM 0 HD12 ILE A 646 4.781 14.549 3.507 1.00 5.20 H new ATOM 0 HD13 ILE A 646 6.464 14.853 3.999 1.00 5.20 H new ATOM 2294 N GLU A 647 2.607 17.896 6.956 1.00 25.52 N ATOM 2295 CA GLU A 647 2.391 19.287 7.201 1.00 15.33 C ATOM 2296 C GLU A 647 2.319 19.569 8.698 1.00 54.23 C ATOM 2297 O GLU A 647 1.800 18.731 9.467 1.00 53.44 O ATOM 2298 CB GLU A 647 1.147 19.795 6.423 1.00 40.00 C ATOM 2299 CG GLU A 647 -0.095 18.887 6.482 1.00 74.41 C ATOM 2300 CD GLU A 647 -1.206 19.369 5.557 1.00 11.24 C ATOM 2301 OE1 GLU A 647 -1.821 20.427 5.825 1.00 3.34 O ATOM 2302 OE2 GLU A 647 -1.482 18.705 4.527 1.00 34.44 O ATOM 0 H GLU A 647 2.337 17.291 7.732 1.00 25.52 H new ATOM 0 HA GLU A 647 3.244 19.851 6.823 1.00 15.33 H new ATOM 0 HB2 GLU A 647 0.875 20.777 6.811 1.00 40.00 H new ATOM 0 HB3 GLU A 647 1.426 19.931 5.378 1.00 40.00 H new ATOM 0 HG2 GLU A 647 0.187 17.870 6.209 1.00 74.41 H new ATOM 0 HG3 GLU A 647 -0.468 18.850 7.506 1.00 74.41 H new ATOM 2309 N GLU A 648 2.932 20.703 9.105 1.00 3.50 N ATOM 2310 CA GLU A 648 2.935 21.217 10.487 1.00 62.01 C ATOM 2311 C GLU A 648 1.566 21.064 11.114 1.00 42.03 C ATOM 2312 O GLU A 648 0.554 21.369 10.463 1.00 62.34 O ATOM 2313 CB GLU A 648 3.401 22.714 10.541 1.00 12.11 C ATOM 2314 CG GLU A 648 4.943 22.991 10.583 1.00 51.54 C ATOM 2315 CD GLU A 648 5.756 22.404 9.438 1.00 23.54 C ATOM 2316 OE1 GLU A 648 5.258 21.773 8.582 1.00 34.21 O ATOM 2317 OE2 GLU A 648 6.985 22.455 9.404 1.00 73.55 O ATOM 0 H GLU A 648 3.452 21.300 8.461 1.00 3.50 H new ATOM 0 HA GLU A 648 3.649 20.626 11.060 1.00 62.01 H new ATOM 0 HB2 GLU A 648 2.991 23.225 9.670 1.00 12.11 H new ATOM 0 HB3 GLU A 648 2.953 23.174 11.421 1.00 12.11 H new ATOM 0 HG2 GLU A 648 5.098 24.070 10.597 1.00 51.54 H new ATOM 0 HG3 GLU A 648 5.337 22.600 11.521 1.00 51.54 H new ATOM 2324 N SER A 649 1.574 20.612 12.370 1.00 34.33 N ATOM 2325 CA SER A 649 0.411 20.209 13.156 1.00 50.41 C ATOM 2326 C SER A 649 -0.856 21.004 12.853 1.00 10.52 C ATOM 2327 O SER A 649 -0.997 22.188 13.203 1.00 63.01 O ATOM 2328 CB SER A 649 0.744 20.243 14.657 1.00 4.40 C ATOM 2329 OG SER A 649 -0.349 19.790 15.461 1.00 24.14 O ATOM 0 H SER A 649 2.444 20.513 12.894 1.00 34.33 H new ATOM 0 HA SER A 649 0.183 19.186 12.857 1.00 50.41 H new ATOM 0 HB2 SER A 649 1.617 19.619 14.848 1.00 4.40 H new ATOM 0 HB3 SER A 649 1.009 21.260 14.946 1.00 4.40 H new ATOM 0 HG SER A 649 -0.096 19.826 16.407 1.00 24.14 H new ATOM 2335 N TYR A 650 -1.723 20.344 12.146 1.00 60.35 N ATOM 2336 CA TYR A 650 -3.021 20.817 11.794 1.00 25.22 C ATOM 2337 C TYR A 650 -4.039 19.839 12.353 1.00 63.12 C ATOM 2338 O TYR A 650 -4.783 20.164 13.279 1.00 72.01 O ATOM 2339 CB TYR A 650 -3.115 20.959 10.243 1.00 72.25 C ATOM 2340 CG TYR A 650 -4.509 20.868 9.638 1.00 74.34 C ATOM 2341 CD1 TYR A 650 -5.388 21.942 9.641 1.00 25.11 C ATOM 2342 CD2 TYR A 650 -4.928 19.679 9.048 1.00 32.41 C ATOM 2343 CE1 TYR A 650 -6.647 21.825 9.070 1.00 24.53 C ATOM 2344 CE2 TYR A 650 -6.169 19.553 8.489 1.00 51.44 C ATOM 2345 CZ TYR A 650 -7.030 20.624 8.500 1.00 24.24 C ATOM 2346 OH TYR A 650 -8.275 20.504 7.910 1.00 11.23 O ATOM 0 H TYR A 650 -1.530 19.411 11.781 1.00 60.35 H new ATOM 0 HA TYR A 650 -3.221 21.802 12.216 1.00 25.22 H new ATOM 0 HB2 TYR A 650 -2.682 21.919 9.961 1.00 72.25 H new ATOM 0 HB3 TYR A 650 -2.495 20.185 9.791 1.00 72.25 H new ATOM 0 HD1 TYR A 650 -5.089 22.877 10.092 1.00 25.11 H new ATOM 0 HD2 TYR A 650 -4.255 18.834 9.031 1.00 32.41 H new ATOM 0 HE1 TYR A 650 -7.324 22.666 9.070 1.00 24.53 H new ATOM 0 HE2 TYR A 650 -6.471 18.618 8.041 1.00 51.44 H new ATOM 0 HH TYR A 650 -8.384 19.596 7.558 1.00 11.23 H new ATOM 2356 N GLU A 651 -3.990 18.627 11.853 1.00 23.51 N ATOM 2357 CA GLU A 651 -4.897 17.565 12.213 1.00 23.12 C ATOM 2358 C GLU A 651 -4.409 16.334 11.467 1.00 1.11 C ATOM 2359 O GLU A 651 -3.545 16.453 10.586 1.00 71.22 O ATOM 2360 CB GLU A 651 -6.353 17.943 11.789 1.00 40.41 C ATOM 2361 CG GLU A 651 -7.450 16.964 12.202 1.00 73.31 C ATOM 2362 CD GLU A 651 -7.483 16.718 13.688 1.00 54.44 C ATOM 2363 OE1 GLU A 651 -8.173 17.468 14.421 1.00 5.42 O ATOM 2364 OE2 GLU A 651 -6.815 15.774 14.144 1.00 4.44 O ATOM 0 H GLU A 651 -3.295 18.345 11.162 1.00 23.51 H new ATOM 0 HA GLU A 651 -4.916 17.386 13.288 1.00 23.12 H new ATOM 0 HB2 GLU A 651 -6.590 18.920 12.209 1.00 40.41 H new ATOM 0 HB3 GLU A 651 -6.378 18.048 10.704 1.00 40.41 H new ATOM 0 HG2 GLU A 651 -8.417 17.352 11.881 1.00 73.31 H new ATOM 0 HG3 GLU A 651 -7.299 16.017 11.685 1.00 73.31 H new ATOM 2371 N PHE A 652 -4.921 15.194 11.800 1.00 54.20 N ATOM 2372 CA PHE A 652 -4.527 13.973 11.148 1.00 51.22 C ATOM 2373 C PHE A 652 -5.626 13.572 10.196 1.00 54.11 C ATOM 2374 O PHE A 652 -6.801 13.467 10.596 1.00 74.25 O ATOM 2375 CB PHE A 652 -4.287 12.866 12.171 1.00 41.03 C ATOM 2376 CG PHE A 652 -3.635 11.645 11.592 1.00 14.35 C ATOM 2377 CD1 PHE A 652 -2.262 11.579 11.494 1.00 50.31 C ATOM 2378 CD2 PHE A 652 -4.384 10.570 11.148 1.00 74.12 C ATOM 2379 CE1 PHE A 652 -1.646 10.472 10.970 1.00 62.42 C ATOM 2380 CE2 PHE A 652 -3.769 9.454 10.619 1.00 73.53 C ATOM 2381 CZ PHE A 652 -2.397 9.407 10.530 1.00 0.33 C ATOM 0 H PHE A 652 -5.624 15.076 12.530 1.00 54.20 H new ATOM 0 HA PHE A 652 -3.595 14.130 10.605 1.00 51.22 H new ATOM 0 HB2 PHE A 652 -3.662 13.255 12.975 1.00 41.03 H new ATOM 0 HB3 PHE A 652 -5.240 12.582 12.617 1.00 41.03 H new ATOM 0 HD1 PHE A 652 -1.663 12.411 11.835 1.00 50.31 H new ATOM 0 HD2 PHE A 652 -5.461 10.605 11.216 1.00 74.12 H new ATOM 0 HE1 PHE A 652 -0.569 10.436 10.903 1.00 62.42 H new ATOM 0 HE2 PHE A 652 -4.363 8.620 10.276 1.00 73.53 H new ATOM 0 HZ PHE A 652 -1.911 8.536 10.116 1.00 0.33 H new ATOM 2391 N LYS A 653 -5.271 13.342 8.960 1.00 34.00 N ATOM 2392 CA LYS A 653 -6.245 13.016 7.952 1.00 5.41 C ATOM 2393 C LYS A 653 -6.122 11.581 7.512 1.00 63.32 C ATOM 2394 O LYS A 653 -5.289 11.257 6.665 1.00 41.14 O ATOM 2395 CB LYS A 653 -6.107 13.916 6.721 1.00 24.44 C ATOM 2396 CG LYS A 653 -6.228 15.415 6.987 1.00 25.20 C ATOM 2397 CD LYS A 653 -7.619 15.807 7.468 1.00 0.24 C ATOM 2398 CE LYS A 653 -8.687 15.538 6.414 1.00 62.33 C ATOM 2399 NZ LYS A 653 -10.019 15.957 6.869 1.00 23.31 N ATOM 0 H LYS A 653 -4.308 13.375 8.625 1.00 34.00 H new ATOM 0 HA LYS A 653 -7.222 13.176 8.408 1.00 5.41 H new ATOM 0 HB2 LYS A 653 -5.139 13.724 6.258 1.00 24.44 H new ATOM 0 HB3 LYS A 653 -6.869 13.630 5.996 1.00 24.44 H new ATOM 0 HG2 LYS A 653 -5.491 15.710 7.734 1.00 25.20 H new ATOM 0 HG3 LYS A 653 -5.994 15.964 6.075 1.00 25.20 H new ATOM 0 HD2 LYS A 653 -7.858 15.252 8.375 1.00 0.24 H new ATOM 0 HD3 LYS A 653 -7.627 16.865 7.730 1.00 0.24 H new ATOM 0 HE2 LYS A 653 -8.433 16.068 5.496 1.00 62.33 H new ATOM 0 HE3 LYS A 653 -8.702 14.475 6.175 1.00 62.33 H new ATOM 0 HZ1 LYS A 653 -10.718 15.758 6.125 1.00 23.31 H new ATOM 0 HZ2 LYS A 653 -10.272 15.433 7.731 1.00 23.31 H new ATOM 0 HZ3 LYS A 653 -10.011 16.977 7.073 1.00 23.31 H new ATOM 2413 N SER A 654 -6.888 10.732 8.126 1.00 15.50 N ATOM 2414 CA SER A 654 -7.017 9.385 7.686 1.00 43.03 C ATOM 2415 C SER A 654 -8.311 9.363 6.919 1.00 43.31 C ATOM 2416 O SER A 654 -9.380 9.647 7.489 1.00 70.34 O ATOM 2417 CB SER A 654 -7.075 8.411 8.881 1.00 21.45 C ATOM 2418 OG SER A 654 -7.137 7.044 8.458 1.00 24.35 O ATOM 0 H SER A 654 -7.443 10.960 8.951 1.00 15.50 H new ATOM 0 HA SER A 654 -6.167 9.068 7.082 1.00 43.03 H new ATOM 0 HB2 SER A 654 -6.197 8.556 9.510 1.00 21.45 H new ATOM 0 HB3 SER A 654 -7.947 8.641 9.494 1.00 21.45 H new ATOM 0 HG SER A 654 -6.500 6.898 7.728 1.00 24.35 H new ATOM 2424 N THR A 655 -8.241 9.119 5.661 1.00 34.54 N ATOM 2425 CA THR A 655 -9.413 9.163 4.861 1.00 60.32 C ATOM 2426 C THR A 655 -9.842 7.766 4.450 1.00 24.33 C ATOM 2427 O THR A 655 -9.041 6.953 4.040 1.00 62.12 O ATOM 2428 CB THR A 655 -9.246 10.114 3.628 1.00 35.02 C ATOM 2429 OG1 THR A 655 -10.459 10.180 2.873 1.00 75.10 O ATOM 2430 CG2 THR A 655 -8.104 9.680 2.715 1.00 42.13 C ATOM 0 H THR A 655 -7.383 8.886 5.161 1.00 34.54 H new ATOM 0 HA THR A 655 -10.212 9.586 5.469 1.00 60.32 H new ATOM 0 HB THR A 655 -9.006 11.101 4.024 1.00 35.02 H new ATOM 0 HG1 THR A 655 -10.336 10.780 2.108 1.00 75.10 H new ATOM 0 HG21 THR A 655 -8.028 10.370 1.875 1.00 42.13 H new ATOM 0 HG22 THR A 655 -7.169 9.685 3.275 1.00 42.13 H new ATOM 0 HG23 THR A 655 -8.298 8.674 2.342 1.00 42.13 H new ATOM 2438 N VAL A 656 -11.097 7.476 4.621 1.00 41.15 N ATOM 2439 CA VAL A 656 -11.617 6.214 4.197 1.00 1.42 C ATOM 2440 C VAL A 656 -11.938 6.309 2.712 1.00 24.54 C ATOM 2441 O VAL A 656 -12.527 7.314 2.256 1.00 53.31 O ATOM 2442 CB VAL A 656 -12.855 5.777 5.050 1.00 12.41 C ATOM 2443 CG1 VAL A 656 -13.966 6.812 5.025 1.00 74.55 C ATOM 2444 CG2 VAL A 656 -13.374 4.424 4.610 1.00 72.53 C ATOM 0 H VAL A 656 -11.780 8.099 5.052 1.00 41.15 H new ATOM 0 HA VAL A 656 -10.871 5.435 4.354 1.00 1.42 H new ATOM 0 HB VAL A 656 -12.512 5.696 6.081 1.00 12.41 H new ATOM 0 HG11 VAL A 656 -14.802 6.463 5.631 1.00 74.55 H new ATOM 0 HG12 VAL A 656 -13.595 7.754 5.428 1.00 74.55 H new ATOM 0 HG13 VAL A 656 -14.300 6.963 3.998 1.00 74.55 H new ATOM 0 HG21 VAL A 656 -14.234 4.148 5.221 1.00 72.53 H new ATOM 0 HG22 VAL A 656 -13.673 4.472 3.563 1.00 72.53 H new ATOM 0 HG23 VAL A 656 -12.589 3.677 4.729 1.00 72.53 H new ATOM 2454 N ASP A 657 -11.501 5.336 1.957 1.00 14.15 N ATOM 2455 CA ASP A 657 -11.706 5.355 0.505 1.00 51.31 C ATOM 2456 C ASP A 657 -12.581 4.201 0.064 1.00 0.14 C ATOM 2457 O ASP A 657 -13.203 3.528 0.907 1.00 61.10 O ATOM 2458 CB ASP A 657 -10.369 5.319 -0.250 1.00 24.40 C ATOM 2459 CG ASP A 657 -10.548 5.402 -1.753 1.00 11.43 C ATOM 2460 OD1 ASP A 657 -10.769 4.372 -2.398 1.00 44.41 O ATOM 2461 OD2 ASP A 657 -10.487 6.515 -2.312 1.00 13.03 O ATOM 0 H ASP A 657 -11.002 4.518 2.306 1.00 14.15 H new ATOM 0 HA ASP A 657 -12.212 6.290 0.263 1.00 51.31 H new ATOM 0 HB2 ASP A 657 -9.744 6.147 0.084 1.00 24.40 H new ATOM 0 HB3 ASP A 657 -9.839 4.399 -0.001 1.00 24.40 H new TER 2466 ASP A 657 HETATM 2467 CA CA A 800 6.938 20.917 8.323 1.00 51.02 CA HETATM 2468 CA CA A 850 11.603 18.545 6.372 1.00 0.25 CA