USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 872 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 581 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 539 TYR OH : rot 30:sc= 0.0842 USER MOD Set 2.2: A 556 THR OG1 : rot -107:sc= 0.145 USER MOD Single : A 506 THR OG1 : rot 20:sc= 1.39 USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.7!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl 139:sc= -4.44! (180deg=-6.72!) USER MOD Single : A 524 LYS NZ :NH3+ 166:sc=-0.00835 (180deg=-0.214) USER MOD Single : A 528 THR OG1 : rot -170:sc= -0.85 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -0.798 F(o=-1.6!,f=-0.8) USER MOD Single : A 540 LYS NZ :NH3+ -171:sc= -0.0148 (180deg=-0.102) USER MOD Single : A 541 THR OG1 : rot 39:sc= -0.0749 USER MOD Single : A 545 THR OG1 : rot -33:sc= 0.465 USER MOD Single : A 557 CYS SG : rot 32:sc=-5.32e-06 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc= -0.255 K(o=-0.25,f=-5.1!) USER MOD Single : A 569 LYS NZ :NH3+ 161:sc= 0.798 (180deg=0.441) USER MOD Single : A 570 THR OG1 : rot 162:sc= 1.17 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 584 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.7!) USER MOD Single : A 585 LYS NZ :NH3+ -161:sc= 2.22 (180deg=1.38) USER MOD Single : A 586 THR OG1 : rot 33:sc= 0.725 USER MOD Single : A 639 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.029) USER MOD Single : A 640 THR OG1 : rot 51:sc= -0.506 USER MOD Single : A 641 LYS NZ :NH3+ 162:sc= -0.0641 (180deg=-0.353) USER MOD Single : A 649 SER OG : rot -51:sc=0.000167 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.648 -12.902 -4.425 1.00 20.41 N ATOM 29 CA GLY A 503 -5.794 -12.239 -3.179 1.00 1.20 C ATOM 30 C GLY A 503 -6.047 -10.778 -3.333 1.00 35.24 C ATOM 31 O GLY A 503 -5.989 -10.250 -4.442 1.00 31.32 O ATOM 0 HA2 GLY A 503 -6.618 -12.690 -2.626 1.00 1.20 H new ATOM 0 HA3 GLY A 503 -4.892 -12.387 -2.585 1.00 1.20 H new ATOM 35 N ILE A 504 -6.361 -10.135 -2.239 1.00 2.41 N ATOM 36 CA ILE A 504 -6.601 -8.709 -2.206 1.00 55.12 C ATOM 37 C ILE A 504 -5.648 -8.083 -1.208 1.00 43.04 C ATOM 38 O ILE A 504 -5.699 -8.393 -0.032 1.00 40.32 O ATOM 39 CB ILE A 504 -8.073 -8.309 -1.778 1.00 74.23 C ATOM 40 CG1 ILE A 504 -9.164 -8.880 -2.706 1.00 63.12 C ATOM 41 CG2 ILE A 504 -8.222 -6.797 -1.671 1.00 42.30 C ATOM 42 CD1 ILE A 504 -9.504 -10.334 -2.465 1.00 24.31 C ATOM 0 H ILE A 504 -6.460 -10.590 -1.331 1.00 2.41 H new ATOM 0 HA ILE A 504 -6.450 -8.349 -3.224 1.00 55.12 H new ATOM 0 HB ILE A 504 -8.224 -8.761 -0.798 1.00 74.23 H new ATOM 0 HG12 ILE A 504 -10.070 -8.285 -2.588 1.00 63.12 H new ATOM 0 HG13 ILE A 504 -8.839 -8.764 -3.740 1.00 63.12 H new ATOM 0 HG21 ILE A 504 -9.242 -6.552 -1.376 1.00 42.30 H new ATOM 0 HG22 ILE A 504 -7.526 -6.415 -0.924 1.00 42.30 H new ATOM 0 HG23 ILE A 504 -8.004 -6.341 -2.637 1.00 42.30 H new ATOM 0 HD11 ILE A 504 -10.280 -10.647 -3.164 1.00 24.31 H new ATOM 0 HD12 ILE A 504 -8.614 -10.945 -2.614 1.00 24.31 H new ATOM 0 HD13 ILE A 504 -9.864 -10.459 -1.444 1.00 24.31 H new ATOM 54 N PHE A 505 -4.759 -7.268 -1.675 1.00 31.21 N ATOM 55 CA PHE A 505 -3.886 -6.523 -0.799 1.00 34.42 C ATOM 56 C PHE A 505 -3.960 -5.077 -1.200 1.00 33.10 C ATOM 57 O PHE A 505 -3.359 -4.664 -2.186 1.00 12.14 O ATOM 58 CB PHE A 505 -2.442 -7.057 -0.835 1.00 43.11 C ATOM 59 CG PHE A 505 -2.304 -8.453 -0.282 1.00 30.31 C ATOM 60 CD1 PHE A 505 -2.103 -8.655 1.072 1.00 74.32 C ATOM 61 CD2 PHE A 505 -2.384 -9.559 -1.113 1.00 73.13 C ATOM 62 CE1 PHE A 505 -1.983 -9.930 1.587 1.00 21.10 C ATOM 63 CE2 PHE A 505 -2.265 -10.836 -0.605 1.00 72.43 C ATOM 64 CZ PHE A 505 -2.063 -11.022 0.747 1.00 23.43 C ATOM 0 H PHE A 505 -4.610 -7.094 -2.669 1.00 31.21 H new ATOM 0 HA PHE A 505 -4.213 -6.638 0.234 1.00 34.42 H new ATOM 0 HB2 PHE A 505 -2.084 -7.045 -1.865 1.00 43.11 H new ATOM 0 HB3 PHE A 505 -1.800 -6.384 -0.267 1.00 43.11 H new ATOM 0 HD1 PHE A 505 -2.039 -7.804 1.734 1.00 74.32 H new ATOM 0 HD2 PHE A 505 -2.542 -9.419 -2.172 1.00 73.13 H new ATOM 0 HE1 PHE A 505 -1.827 -10.073 2.646 1.00 21.10 H new ATOM 0 HE2 PHE A 505 -2.330 -11.689 -1.265 1.00 72.43 H new ATOM 0 HZ PHE A 505 -1.968 -12.021 1.147 1.00 23.43 H new ATOM 74 N THR A 506 -4.747 -4.327 -0.488 1.00 3.45 N ATOM 75 CA THR A 506 -5.009 -2.966 -0.848 1.00 72.13 C ATOM 76 C THR A 506 -4.918 -2.085 0.384 1.00 72.14 C ATOM 77 O THR A 506 -5.059 -2.572 1.516 1.00 14.12 O ATOM 78 CB THR A 506 -6.436 -2.846 -1.507 1.00 71.23 C ATOM 79 OG1 THR A 506 -6.655 -1.534 -2.033 1.00 73.43 O ATOM 80 CG2 THR A 506 -7.553 -3.170 -0.511 1.00 62.11 C ATOM 0 H THR A 506 -5.225 -4.641 0.357 1.00 3.45 H new ATOM 0 HA THR A 506 -4.265 -2.636 -1.573 1.00 72.13 H new ATOM 0 HB THR A 506 -6.462 -3.574 -2.318 1.00 71.23 H new ATOM 0 HG1 THR A 506 -5.793 -1.085 -2.162 1.00 73.43 H new ATOM 0 HG21 THR A 506 -8.520 -3.075 -1.005 1.00 62.11 H new ATOM 0 HG22 THR A 506 -7.430 -4.190 -0.146 1.00 62.11 H new ATOM 0 HG23 THR A 506 -7.505 -2.476 0.328 1.00 62.11 H new ATOM 88 N PHE A 507 -4.666 -0.818 0.174 1.00 3.10 N ATOM 89 CA PHE A 507 -4.654 0.126 1.256 1.00 65.32 C ATOM 90 C PHE A 507 -6.045 0.595 1.491 1.00 20.41 C ATOM 91 O PHE A 507 -6.888 0.509 0.596 1.00 50.44 O ATOM 92 CB PHE A 507 -3.795 1.343 0.946 1.00 24.41 C ATOM 93 CG PHE A 507 -2.333 1.097 0.862 1.00 14.31 C ATOM 94 CD1 PHE A 507 -1.615 0.810 1.996 1.00 73.20 C ATOM 95 CD2 PHE A 507 -1.670 1.200 -0.337 1.00 5.43 C ATOM 96 CE1 PHE A 507 -0.261 0.625 1.940 1.00 3.42 C ATOM 97 CE2 PHE A 507 -0.310 1.009 -0.406 1.00 32.02 C ATOM 98 CZ PHE A 507 0.395 0.722 0.739 1.00 43.13 C ATOM 0 H PHE A 507 -4.466 -0.417 -0.742 1.00 3.10 H new ATOM 0 HA PHE A 507 -4.239 -0.375 2.130 1.00 65.32 H new ATOM 0 HB2 PHE A 507 -4.128 1.768 -0.001 1.00 24.41 H new ATOM 0 HB3 PHE A 507 -3.974 2.096 1.714 1.00 24.41 H new ATOM 0 HD1 PHE A 507 -2.126 0.729 2.944 1.00 73.20 H new ATOM 0 HD2 PHE A 507 -2.223 1.433 -1.235 1.00 5.43 H new ATOM 0 HE1 PHE A 507 0.292 0.403 2.841 1.00 3.42 H new ATOM 0 HE2 PHE A 507 0.201 1.084 -1.354 1.00 32.02 H new ATOM 0 HZ PHE A 507 1.464 0.573 0.693 1.00 43.13 H new ATOM 108 N GLU A 508 -6.302 1.013 2.692 1.00 71.12 N ATOM 109 CA GLU A 508 -7.556 1.620 3.028 1.00 14.43 C ATOM 110 C GLU A 508 -7.477 3.104 2.668 1.00 54.24 C ATOM 111 O GLU A 508 -8.474 3.748 2.342 1.00 4.44 O ATOM 112 CB GLU A 508 -7.797 1.459 4.514 1.00 23.35 C ATOM 113 CG GLU A 508 -9.232 1.599 4.905 1.00 73.33 C ATOM 114 CD GLU A 508 -9.425 1.508 6.390 1.00 52.40 C ATOM 115 OE1 GLU A 508 -9.522 0.397 6.918 1.00 72.03 O ATOM 116 OE2 GLU A 508 -9.491 2.555 7.061 1.00 55.43 O ATOM 0 H GLU A 508 -5.647 0.943 3.471 1.00 71.12 H new ATOM 0 HA GLU A 508 -8.374 1.150 2.482 1.00 14.43 H new ATOM 0 HB2 GLU A 508 -7.437 0.479 4.828 1.00 23.35 H new ATOM 0 HB3 GLU A 508 -7.208 2.202 5.052 1.00 23.35 H new ATOM 0 HG2 GLU A 508 -9.612 2.556 4.549 1.00 73.33 H new ATOM 0 HG3 GLU A 508 -9.818 0.821 4.416 1.00 73.33 H new ATOM 123 N GLU A 509 -6.267 3.608 2.690 1.00 74.02 N ATOM 124 CA GLU A 509 -5.984 4.987 2.409 1.00 71.11 C ATOM 125 C GLU A 509 -5.233 5.105 1.096 1.00 33.33 C ATOM 126 O GLU A 509 -4.186 4.500 0.945 1.00 42.34 O ATOM 127 CB GLU A 509 -5.079 5.553 3.499 1.00 4.50 C ATOM 128 CG GLU A 509 -5.681 6.644 4.343 1.00 24.24 C ATOM 129 CD GLU A 509 -6.883 6.215 5.115 1.00 43.51 C ATOM 130 OE1 GLU A 509 -6.722 5.597 6.179 1.00 62.31 O ATOM 131 OE2 GLU A 509 -7.999 6.515 4.701 1.00 32.00 O ATOM 0 H GLU A 509 -5.437 3.056 2.909 1.00 74.02 H new ATOM 0 HA GLU A 509 -6.928 5.529 2.362 1.00 71.11 H new ATOM 0 HB2 GLU A 509 -4.776 4.737 4.155 1.00 4.50 H new ATOM 0 HB3 GLU A 509 -4.174 5.939 3.030 1.00 4.50 H new ATOM 0 HG2 GLU A 509 -4.926 7.011 5.038 1.00 24.24 H new ATOM 0 HG3 GLU A 509 -5.954 7.480 3.699 1.00 24.24 H new ATOM 138 N PRO A 510 -5.760 5.833 0.114 1.00 15.23 N ATOM 139 CA PRO A 510 -4.994 6.158 -1.076 1.00 42.21 C ATOM 140 C PRO A 510 -4.157 7.428 -0.819 1.00 25.24 C ATOM 141 O PRO A 510 -3.177 7.724 -1.517 1.00 33.20 O ATOM 142 CB PRO A 510 -6.070 6.407 -2.136 1.00 34.41 C ATOM 143 CG PRO A 510 -7.294 6.835 -1.380 1.00 35.05 C ATOM 144 CD PRO A 510 -7.151 6.332 0.044 1.00 23.40 C ATOM 0 HA PRO A 510 -4.292 5.380 -1.376 1.00 42.21 H new ATOM 0 HB2 PRO A 510 -5.755 7.178 -2.840 1.00 34.41 H new ATOM 0 HB3 PRO A 510 -6.264 5.505 -2.716 1.00 34.41 H new ATOM 0 HG2 PRO A 510 -7.393 7.920 -1.395 1.00 35.05 H new ATOM 0 HG3 PRO A 510 -8.192 6.426 -1.842 1.00 35.05 H new ATOM 0 HD2 PRO A 510 -7.325 7.129 0.767 1.00 23.40 H new ATOM 0 HD3 PRO A 510 -7.869 5.541 0.261 1.00 23.40 H new ATOM 152 N VAL A 511 -4.566 8.155 0.203 1.00 11.53 N ATOM 153 CA VAL A 511 -3.964 9.385 0.664 1.00 61.45 C ATOM 154 C VAL A 511 -4.191 9.455 2.155 1.00 41.14 C ATOM 155 O VAL A 511 -5.307 9.237 2.606 1.00 1.25 O ATOM 156 CB VAL A 511 -4.630 10.648 0.015 1.00 52.32 C ATOM 157 CG1 VAL A 511 -4.126 11.911 0.663 1.00 31.23 C ATOM 158 CG2 VAL A 511 -4.368 10.716 -1.468 1.00 13.34 C ATOM 0 H VAL A 511 -5.374 7.885 0.764 1.00 11.53 H new ATOM 0 HA VAL A 511 -2.908 9.385 0.393 1.00 61.45 H new ATOM 0 HB VAL A 511 -5.704 10.558 0.176 1.00 52.32 H new ATOM 0 HG11 VAL A 511 -4.602 12.774 0.197 1.00 31.23 H new ATOM 0 HG12 VAL A 511 -4.366 11.895 1.726 1.00 31.23 H new ATOM 0 HG13 VAL A 511 -3.046 11.979 0.536 1.00 31.23 H new ATOM 0 HG21 VAL A 511 -4.845 11.604 -1.881 1.00 13.34 H new ATOM 0 HG22 VAL A 511 -3.294 10.765 -1.646 1.00 13.34 H new ATOM 0 HG23 VAL A 511 -4.775 9.828 -1.951 1.00 13.34 H new ATOM 168 N THR A 512 -3.167 9.729 2.896 1.00 73.25 N ATOM 169 CA THR A 512 -3.284 9.871 4.305 1.00 20.21 C ATOM 170 C THR A 512 -2.597 11.171 4.697 1.00 22.02 C ATOM 171 O THR A 512 -1.613 11.586 4.059 1.00 12.31 O ATOM 172 CB THR A 512 -2.677 8.640 5.078 1.00 50.33 C ATOM 173 OG1 THR A 512 -2.988 8.719 6.474 1.00 61.23 O ATOM 174 CG2 THR A 512 -1.166 8.566 4.921 1.00 14.34 C ATOM 0 H THR A 512 -2.222 9.861 2.536 1.00 73.25 H new ATOM 0 HA THR A 512 -4.337 9.902 4.584 1.00 20.21 H new ATOM 0 HB THR A 512 -3.122 7.744 4.645 1.00 50.33 H new ATOM 0 HG1 THR A 512 -2.605 7.946 6.939 1.00 61.23 H new ATOM 0 HG21 THR A 512 -0.785 7.704 5.468 1.00 14.34 H new ATOM 0 HG22 THR A 512 -0.914 8.465 3.865 1.00 14.34 H new ATOM 0 HG23 THR A 512 -0.714 9.476 5.317 1.00 14.34 H new ATOM 182 N HIS A 513 -3.139 11.846 5.656 1.00 40.35 N ATOM 183 CA HIS A 513 -2.554 13.064 6.136 1.00 11.51 C ATOM 184 C HIS A 513 -2.015 12.796 7.493 1.00 1.12 C ATOM 185 O HIS A 513 -2.693 12.181 8.320 1.00 13.21 O ATOM 186 CB HIS A 513 -3.569 14.218 6.181 1.00 30.31 C ATOM 187 CG HIS A 513 -4.012 14.716 4.834 1.00 43.21 C ATOM 188 ND1 HIS A 513 -3.791 15.999 4.386 1.00 13.41 N ATOM 189 CD2 HIS A 513 -4.690 14.086 3.840 1.00 31.43 C ATOM 190 CE1 HIS A 513 -4.321 16.107 3.166 1.00 63.54 C ATOM 191 NE2 HIS A 513 -4.885 14.972 2.784 1.00 41.11 N ATOM 0 H HIS A 513 -3.999 11.573 6.132 1.00 40.35 H new ATOM 0 HA HIS A 513 -1.764 13.377 5.454 1.00 11.51 H new ATOM 0 HB2 HIS A 513 -4.446 13.891 6.739 1.00 30.31 H new ATOM 0 HB3 HIS A 513 -3.131 15.048 6.734 1.00 30.31 H new ATOM 0 HD1 HIS A 513 -3.307 16.737 4.897 1.00 13.41 H new ATOM 0 HD2 HIS A 513 -5.025 13.060 3.865 1.00 31.43 H new ATOM 0 HE1 HIS A 513 -4.293 17.005 2.567 1.00 63.54 H new ATOM 199 N VAL A 514 -0.810 13.196 7.730 1.00 61.33 N ATOM 200 CA VAL A 514 -0.187 12.951 8.997 1.00 54.24 C ATOM 201 C VAL A 514 0.401 14.210 9.529 1.00 11.42 C ATOM 202 O VAL A 514 0.704 15.149 8.776 1.00 1.34 O ATOM 203 CB VAL A 514 0.897 11.825 8.941 1.00 72.24 C ATOM 204 CG1 VAL A 514 0.305 10.514 8.436 1.00 23.15 C ATOM 205 CG2 VAL A 514 2.091 12.235 8.092 1.00 10.12 C ATOM 0 H VAL A 514 -0.229 13.699 7.059 1.00 61.33 H new ATOM 0 HA VAL A 514 -0.968 12.596 9.669 1.00 54.24 H new ATOM 0 HB VAL A 514 1.251 11.670 9.960 1.00 72.24 H new ATOM 0 HG11 VAL A 514 1.082 9.751 8.408 1.00 23.15 H new ATOM 0 HG12 VAL A 514 -0.494 10.194 9.105 1.00 23.15 H new ATOM 0 HG13 VAL A 514 -0.097 10.659 7.433 1.00 23.15 H new ATOM 0 HG21 VAL A 514 2.822 11.427 8.078 1.00 10.12 H new ATOM 0 HG22 VAL A 514 1.760 12.443 7.075 1.00 10.12 H new ATOM 0 HG23 VAL A 514 2.548 13.130 8.515 1.00 10.12 H new ATOM 215 N SER A 515 0.521 14.243 10.806 1.00 41.31 N ATOM 216 CA SER A 515 1.075 15.329 11.488 1.00 4.43 C ATOM 217 C SER A 515 2.600 15.304 11.359 1.00 61.44 C ATOM 218 O SER A 515 3.189 14.251 11.182 1.00 60.35 O ATOM 219 CB SER A 515 0.650 15.195 12.932 1.00 21.11 C ATOM 220 OG SER A 515 -0.771 15.248 13.046 1.00 74.42 O ATOM 0 H SER A 515 0.222 13.482 11.416 1.00 41.31 H new ATOM 0 HA SER A 515 0.732 16.278 11.076 1.00 4.43 H new ATOM 0 HB2 SER A 515 1.018 14.253 13.339 1.00 21.11 H new ATOM 0 HB3 SER A 515 1.097 15.994 13.524 1.00 21.11 H new ATOM 0 HG SER A 515 -1.027 15.158 13.988 1.00 74.42 H new ATOM 226 N GLU A 516 3.220 16.463 11.380 1.00 15.53 N ATOM 227 CA GLU A 516 4.670 16.533 11.375 1.00 33.44 C ATOM 228 C GLU A 516 5.213 16.077 12.734 1.00 64.21 C ATOM 229 O GLU A 516 6.294 15.504 12.840 1.00 4.42 O ATOM 230 CB GLU A 516 5.146 17.960 11.075 1.00 41.44 C ATOM 231 CG GLU A 516 6.662 18.078 11.015 1.00 32.21 C ATOM 232 CD GLU A 516 7.139 19.478 10.818 1.00 1.24 C ATOM 233 OE1 GLU A 516 7.364 20.198 11.819 1.00 31.04 O ATOM 234 OE2 GLU A 516 7.301 19.887 9.664 1.00 63.51 O ATOM 0 H GLU A 516 2.749 17.367 11.401 1.00 15.53 H new ATOM 0 HA GLU A 516 5.047 15.874 10.592 1.00 33.44 H new ATOM 0 HB2 GLU A 516 4.723 18.286 10.125 1.00 41.44 H new ATOM 0 HB3 GLU A 516 4.764 18.634 11.842 1.00 41.44 H new ATOM 0 HG2 GLU A 516 7.087 17.684 11.938 1.00 32.21 H new ATOM 0 HG3 GLU A 516 7.036 17.457 10.201 1.00 32.21 H new ATOM 241 N SER A 517 4.431 16.289 13.754 1.00 22.11 N ATOM 242 CA SER A 517 4.827 15.974 15.079 1.00 50.24 C ATOM 243 C SER A 517 4.061 14.763 15.559 1.00 73.23 C ATOM 244 O SER A 517 3.031 14.862 16.230 1.00 40.25 O ATOM 245 CB SER A 517 4.667 17.187 15.992 1.00 32.03 C ATOM 246 OG SER A 517 5.422 18.282 15.472 1.00 64.00 O ATOM 0 H SER A 517 3.496 16.689 13.679 1.00 22.11 H new ATOM 0 HA SER A 517 5.886 15.718 15.101 1.00 50.24 H new ATOM 0 HB2 SER A 517 3.615 17.461 16.068 1.00 32.03 H new ATOM 0 HB3 SER A 517 5.006 16.944 16.999 1.00 32.03 H new ATOM 0 HG SER A 517 5.316 19.060 16.059 1.00 64.00 H new ATOM 252 N ILE A 518 4.484 13.660 15.042 1.00 14.11 N ATOM 253 CA ILE A 518 3.996 12.372 15.365 1.00 50.25 C ATOM 254 C ILE A 518 5.199 11.432 15.283 1.00 31.03 C ATOM 255 O ILE A 518 6.215 11.808 14.693 1.00 41.34 O ATOM 256 CB ILE A 518 2.945 11.972 14.319 1.00 32.42 C ATOM 257 CG1 ILE A 518 2.231 10.706 14.712 1.00 41.21 C ATOM 258 CG2 ILE A 518 3.567 11.830 12.931 1.00 50.32 C ATOM 259 CD1 ILE A 518 1.199 10.345 13.727 1.00 71.42 C ATOM 0 H ILE A 518 5.224 13.637 14.341 1.00 14.11 H new ATOM 0 HA ILE A 518 3.537 12.336 16.353 1.00 50.25 H new ATOM 0 HB ILE A 518 2.209 12.775 14.279 1.00 32.42 H new ATOM 0 HG12 ILE A 518 2.951 9.893 14.802 1.00 41.21 H new ATOM 0 HG13 ILE A 518 1.772 10.834 15.692 1.00 41.21 H new ATOM 0 HG21 ILE A 518 2.796 11.546 12.214 1.00 50.32 H new ATOM 0 HG22 ILE A 518 4.009 12.780 12.631 1.00 50.32 H new ATOM 0 HG23 ILE A 518 4.340 11.062 12.956 1.00 50.32 H new ATOM 0 HD11 ILE A 518 0.702 9.427 14.040 1.00 71.42 H new ATOM 0 HD12 ILE A 518 0.466 11.148 13.657 1.00 71.42 H new ATOM 0 HD13 ILE A 518 1.663 10.192 12.753 1.00 71.42 H new ATOM 271 N GLY A 519 5.122 10.279 15.885 1.00 31.53 N ATOM 272 CA GLY A 519 6.205 9.344 15.785 1.00 21.42 C ATOM 273 C GLY A 519 5.991 8.397 14.639 1.00 42.11 C ATOM 274 O GLY A 519 6.589 8.546 13.575 1.00 11.12 O ATOM 0 H GLY A 519 4.329 9.966 16.445 1.00 31.53 H new ATOM 0 HA2 GLY A 519 7.143 9.881 15.648 1.00 21.42 H new ATOM 0 HA3 GLY A 519 6.293 8.782 16.715 1.00 21.42 H new ATOM 278 N ILE A 520 5.109 7.458 14.834 1.00 63.21 N ATOM 279 CA ILE A 520 4.813 6.451 13.839 1.00 3.12 C ATOM 280 C ILE A 520 3.460 6.712 13.234 1.00 75.22 C ATOM 281 O ILE A 520 2.478 6.886 13.958 1.00 10.12 O ATOM 282 CB ILE A 520 4.815 5.012 14.464 1.00 13.11 C ATOM 283 CG1 ILE A 520 6.217 4.604 14.939 1.00 1.21 C ATOM 284 CG2 ILE A 520 4.236 3.965 13.507 1.00 51.31 C ATOM 285 CD1 ILE A 520 7.245 4.500 13.835 1.00 22.53 C ATOM 0 H ILE A 520 4.567 7.364 15.693 1.00 63.21 H new ATOM 0 HA ILE A 520 5.588 6.504 13.074 1.00 3.12 H new ATOM 0 HB ILE A 520 4.162 5.051 15.336 1.00 13.11 H new ATOM 0 HG12 ILE A 520 6.564 5.330 15.674 1.00 1.21 H new ATOM 0 HG13 ILE A 520 6.149 3.642 15.448 1.00 1.21 H new ATOM 0 HG21 ILE A 520 4.258 2.985 13.983 1.00 51.31 H new ATOM 0 HG22 ILE A 520 3.207 4.226 13.262 1.00 51.31 H new ATOM 0 HG23 ILE A 520 4.831 3.938 12.594 1.00 51.31 H new ATOM 0 HD11 ILE A 520 8.206 4.207 14.259 1.00 22.53 H new ATOM 0 HD12 ILE A 520 6.925 3.752 13.109 1.00 22.53 H new ATOM 0 HD13 ILE A 520 7.346 5.466 13.340 1.00 22.53 H new ATOM 297 N MET A 521 3.405 6.780 11.938 1.00 72.34 N ATOM 298 CA MET A 521 2.139 6.856 11.273 1.00 23.14 C ATOM 299 C MET A 521 1.851 5.484 10.709 1.00 3.14 C ATOM 300 O MET A 521 2.788 4.778 10.276 1.00 53.01 O ATOM 301 CB MET A 521 2.085 7.995 10.214 1.00 42.40 C ATOM 302 CG MET A 521 2.880 7.813 8.912 1.00 32.31 C ATOM 303 SD MET A 521 2.045 6.749 7.706 1.00 34.05 S ATOM 304 CE MET A 521 3.085 6.965 6.266 1.00 31.23 C ATOM 0 H MET A 521 4.218 6.784 11.322 1.00 72.34 H new ATOM 0 HA MET A 521 1.353 7.129 11.977 1.00 23.14 H new ATOM 0 HB2 MET A 521 1.040 8.152 9.947 1.00 42.40 H new ATOM 0 HB3 MET A 521 2.433 8.911 10.692 1.00 42.40 H new ATOM 0 HG2 MET A 521 3.057 8.790 8.463 1.00 32.31 H new ATOM 0 HG3 MET A 521 3.856 7.388 9.147 1.00 32.31 H new ATOM 0 HE1 MET A 521 3.222 6.005 5.769 1.00 31.23 H new ATOM 0 HE2 MET A 521 2.613 7.666 5.578 1.00 31.23 H new ATOM 0 HE3 MET A 521 4.055 7.356 6.573 1.00 31.23 H new ATOM 314 N GLU A 522 0.616 5.070 10.801 1.00 12.10 N ATOM 315 CA GLU A 522 0.204 3.766 10.370 1.00 21.15 C ATOM 316 C GLU A 522 -0.725 3.838 9.190 1.00 72.30 C ATOM 317 O GLU A 522 -1.401 4.849 8.962 1.00 10.54 O ATOM 318 CB GLU A 522 -0.469 3.004 11.499 1.00 62.13 C ATOM 319 CG GLU A 522 0.452 2.636 12.634 1.00 52.02 C ATOM 320 CD GLU A 522 -0.248 1.848 13.694 1.00 25.32 C ATOM 321 OE1 GLU A 522 -0.986 2.442 14.505 1.00 44.03 O ATOM 322 OE2 GLU A 522 -0.056 0.611 13.758 1.00 12.41 O ATOM 0 H GLU A 522 -0.140 5.638 11.183 1.00 12.10 H new ATOM 0 HA GLU A 522 1.106 3.234 10.068 1.00 21.15 H new ATOM 0 HB2 GLU A 522 -1.287 3.607 11.892 1.00 62.13 H new ATOM 0 HB3 GLU A 522 -0.910 2.093 11.095 1.00 62.13 H new ATOM 0 HG2 GLU A 522 1.290 2.057 12.247 1.00 52.02 H new ATOM 0 HG3 GLU A 522 0.867 3.544 13.072 1.00 52.02 H new ATOM 329 N VAL A 523 -0.754 2.764 8.438 1.00 14.13 N ATOM 330 CA VAL A 523 -1.578 2.660 7.259 1.00 22.03 C ATOM 331 C VAL A 523 -2.248 1.306 7.261 1.00 43.41 C ATOM 332 O VAL A 523 -1.568 0.293 7.361 1.00 71.12 O ATOM 333 CB VAL A 523 -0.729 2.745 5.978 1.00 21.41 C ATOM 334 CG1 VAL A 523 -1.619 2.920 4.760 1.00 14.22 C ATOM 335 CG2 VAL A 523 0.317 3.840 6.072 1.00 24.31 C ATOM 0 H VAL A 523 -0.200 1.929 8.630 1.00 14.13 H new ATOM 0 HA VAL A 523 -2.300 3.477 7.273 1.00 22.03 H new ATOM 0 HB VAL A 523 -0.190 1.804 5.867 1.00 21.41 H new ATOM 0 HG11 VAL A 523 -1.002 2.978 3.864 1.00 14.22 H new ATOM 0 HG12 VAL A 523 -2.297 2.070 4.679 1.00 14.22 H new ATOM 0 HG13 VAL A 523 -2.198 3.838 4.862 1.00 14.22 H new ATOM 0 HG21 VAL A 523 0.897 3.870 5.149 1.00 24.31 H new ATOM 0 HG22 VAL A 523 -0.175 4.801 6.223 1.00 24.31 H new ATOM 0 HG23 VAL A 523 0.982 3.637 6.912 1.00 24.31 H new ATOM 345 N LYS A 524 -3.548 1.290 7.147 1.00 42.15 N ATOM 346 CA LYS A 524 -4.313 0.062 7.153 1.00 31.34 C ATOM 347 C LYS A 524 -4.281 -0.633 5.814 1.00 23.20 C ATOM 348 O LYS A 524 -4.581 -0.036 4.764 1.00 50.12 O ATOM 349 CB LYS A 524 -5.751 0.324 7.565 1.00 51.11 C ATOM 350 CG LYS A 524 -5.932 0.643 9.036 1.00 54.53 C ATOM 351 CD LYS A 524 -5.737 -0.600 9.886 1.00 13.15 C ATOM 352 CE LYS A 524 -6.073 -0.389 11.357 1.00 13.42 C ATOM 353 NZ LYS A 524 -7.483 0.007 11.560 1.00 1.55 N ATOM 0 H LYS A 524 -4.115 2.132 7.046 1.00 42.15 H new ATOM 0 HA LYS A 524 -3.846 -0.598 7.883 1.00 31.34 H new ATOM 0 HB2 LYS A 524 -6.140 1.154 6.975 1.00 51.11 H new ATOM 0 HB3 LYS A 524 -6.352 -0.551 7.319 1.00 51.11 H new ATOM 0 HG2 LYS A 524 -5.218 1.410 9.337 1.00 54.53 H new ATOM 0 HG3 LYS A 524 -6.929 1.051 9.204 1.00 54.53 H new ATOM 0 HD2 LYS A 524 -6.360 -1.402 9.491 1.00 13.15 H new ATOM 0 HD3 LYS A 524 -4.701 -0.929 9.802 1.00 13.15 H new ATOM 0 HE2 LYS A 524 -5.873 -1.308 11.908 1.00 13.42 H new ATOM 0 HE3 LYS A 524 -5.419 0.379 11.770 1.00 13.42 H new ATOM 0 HZ1 LYS A 524 -7.730 -0.091 12.566 1.00 1.55 H new ATOM 0 HZ2 LYS A 524 -7.611 0.996 11.266 1.00 1.55 H new ATOM 0 HZ3 LYS A 524 -8.101 -0.606 10.991 1.00 1.55 H new ATOM 367 N VAL A 525 -3.896 -1.867 5.859 1.00 22.33 N ATOM 368 CA VAL A 525 -3.868 -2.724 4.697 1.00 41.44 C ATOM 369 C VAL A 525 -4.953 -3.761 4.875 1.00 61.12 C ATOM 370 O VAL A 525 -4.959 -4.478 5.878 1.00 12.23 O ATOM 371 CB VAL A 525 -2.519 -3.468 4.557 1.00 40.41 C ATOM 372 CG1 VAL A 525 -2.421 -4.190 3.217 1.00 34.20 C ATOM 373 CG2 VAL A 525 -1.354 -2.536 4.751 1.00 34.02 C ATOM 0 H VAL A 525 -3.585 -2.325 6.716 1.00 22.33 H new ATOM 0 HA VAL A 525 -4.012 -2.111 3.808 1.00 41.44 H new ATOM 0 HB VAL A 525 -2.479 -4.219 5.346 1.00 40.41 H new ATOM 0 HG11 VAL A 525 -1.462 -4.703 3.149 1.00 34.20 H new ATOM 0 HG12 VAL A 525 -3.228 -4.918 3.136 1.00 34.20 H new ATOM 0 HG13 VAL A 525 -2.503 -3.466 2.407 1.00 34.20 H new ATOM 0 HG21 VAL A 525 -0.422 -3.092 4.646 1.00 34.02 H new ATOM 0 HG22 VAL A 525 -1.392 -1.746 4.001 1.00 34.02 H new ATOM 0 HG23 VAL A 525 -1.403 -2.095 5.746 1.00 34.02 H new ATOM 383 N LEU A 526 -5.853 -3.829 3.939 1.00 0.14 N ATOM 384 CA LEU A 526 -6.960 -4.757 4.012 1.00 50.33 C ATOM 385 C LEU A 526 -6.478 -6.133 3.614 1.00 12.42 C ATOM 386 O LEU A 526 -5.610 -6.262 2.739 1.00 61.25 O ATOM 387 CB LEU A 526 -8.152 -4.311 3.128 1.00 30.11 C ATOM 388 CG LEU A 526 -8.869 -2.988 3.504 1.00 53.12 C ATOM 389 CD1 LEU A 526 -9.330 -2.978 4.949 1.00 24.41 C ATOM 390 CD2 LEU A 526 -8.009 -1.790 3.220 1.00 60.31 C ATOM 0 H LEU A 526 -5.847 -3.247 3.102 1.00 0.14 H new ATOM 0 HA LEU A 526 -7.326 -4.779 5.039 1.00 50.33 H new ATOM 0 HB2 LEU A 526 -7.794 -4.219 2.103 1.00 30.11 H new ATOM 0 HB3 LEU A 526 -8.894 -5.109 3.137 1.00 30.11 H new ATOM 0 HG LEU A 526 -9.755 -2.929 2.872 1.00 53.12 H new ATOM 0 HD11 LEU A 526 -9.826 -2.032 5.166 1.00 24.41 H new ATOM 0 HD12 LEU A 526 -10.027 -3.800 5.114 1.00 24.41 H new ATOM 0 HD13 LEU A 526 -8.469 -3.095 5.607 1.00 24.41 H new ATOM 0 HD21 LEU A 526 -8.546 -0.883 3.497 1.00 60.31 H new ATOM 0 HD22 LEU A 526 -7.088 -1.858 3.799 1.00 60.31 H new ATOM 0 HD23 LEU A 526 -7.768 -1.759 2.158 1.00 60.31 H new ATOM 402 N ARG A 527 -7.021 -7.149 4.241 1.00 1.33 N ATOM 403 CA ARG A 527 -6.558 -8.491 4.007 1.00 15.13 C ATOM 404 C ARG A 527 -7.300 -9.121 2.841 1.00 11.34 C ATOM 405 O ARG A 527 -8.446 -8.760 2.532 1.00 21.04 O ATOM 406 CB ARG A 527 -6.743 -9.389 5.248 1.00 61.51 C ATOM 407 CG ARG A 527 -6.047 -10.750 5.107 1.00 63.24 C ATOM 408 CD ARG A 527 -6.556 -11.783 6.083 1.00 32.31 C ATOM 409 NE ARG A 527 -7.962 -12.116 5.850 1.00 33.25 N ATOM 410 CZ ARG A 527 -8.638 -13.065 6.497 1.00 64.32 C ATOM 411 NH1 ARG A 527 -8.023 -13.825 7.416 1.00 45.01 N ATOM 412 NH2 ARG A 527 -9.918 -13.257 6.215 1.00 2.22 N ATOM 0 H ARG A 527 -7.782 -7.070 4.915 1.00 1.33 H new ATOM 0 HA ARG A 527 -5.495 -8.418 3.779 1.00 15.13 H new ATOM 0 HB2 ARG A 527 -6.350 -8.874 6.125 1.00 61.51 H new ATOM 0 HB3 ARG A 527 -7.808 -9.547 5.421 1.00 61.51 H new ATOM 0 HG2 ARG A 527 -6.188 -11.119 4.091 1.00 63.24 H new ATOM 0 HG3 ARG A 527 -4.975 -10.619 5.253 1.00 63.24 H new ATOM 0 HD2 ARG A 527 -5.952 -12.687 6.002 1.00 32.31 H new ATOM 0 HD3 ARG A 527 -6.436 -11.410 7.100 1.00 32.31 H new ATOM 0 HE ARG A 527 -8.462 -11.582 5.139 1.00 33.25 H new ATOM 0 HH11 ARG A 527 -7.035 -13.677 7.621 1.00 45.01 H new ATOM 0 HH12 ARG A 527 -8.544 -14.550 7.909 1.00 45.01 H new ATOM 0 HH21 ARG A 527 -10.377 -12.681 5.509 1.00 2.22 H new ATOM 0 HH22 ARG A 527 -10.445 -13.981 6.704 1.00 2.22 H new ATOM 426 N THR A 528 -6.623 -10.027 2.196 1.00 54.22 N ATOM 427 CA THR A 528 -7.164 -10.849 1.175 1.00 23.12 C ATOM 428 C THR A 528 -8.333 -11.689 1.721 1.00 21.00 C ATOM 429 O THR A 528 -8.291 -12.170 2.863 1.00 62.45 O ATOM 430 CB THR A 528 -6.044 -11.760 0.597 1.00 12.14 C ATOM 431 OG1 THR A 528 -6.575 -12.676 -0.347 1.00 22.52 O ATOM 432 CG2 THR A 528 -5.293 -12.510 1.693 1.00 21.04 C ATOM 0 H THR A 528 -5.638 -10.214 2.382 1.00 54.22 H new ATOM 0 HA THR A 528 -7.554 -10.221 0.374 1.00 23.12 H new ATOM 0 HB THR A 528 -5.331 -11.107 0.094 1.00 12.14 H new ATOM 0 HG1 THR A 528 -5.892 -13.339 -0.580 1.00 22.52 H new ATOM 0 HG21 THR A 528 -4.520 -13.134 1.243 1.00 21.04 H new ATOM 0 HG22 THR A 528 -4.831 -11.794 2.373 1.00 21.04 H new ATOM 0 HG23 THR A 528 -5.990 -13.139 2.247 1.00 21.04 H new ATOM 440 N SER A 529 -9.370 -11.820 0.926 1.00 13.45 N ATOM 441 CA SER A 529 -10.526 -12.577 1.314 1.00 41.24 C ATOM 442 C SER A 529 -10.178 -14.065 1.248 1.00 51.03 C ATOM 443 O SER A 529 -10.525 -14.839 2.141 1.00 53.54 O ATOM 444 CB SER A 529 -11.711 -12.230 0.397 1.00 75.32 C ATOM 445 OG SER A 529 -12.926 -12.824 0.840 1.00 12.11 O ATOM 0 H SER A 529 -9.431 -11.404 -0.004 1.00 13.45 H new ATOM 0 HA SER A 529 -10.820 -12.331 2.334 1.00 41.24 H new ATOM 0 HB2 SER A 529 -11.832 -11.147 0.356 1.00 75.32 H new ATOM 0 HB3 SER A 529 -11.494 -12.565 -0.617 1.00 75.32 H new ATOM 0 HG SER A 529 -13.652 -12.577 0.230 1.00 12.11 H new ATOM 451 N GLY A 530 -9.444 -14.446 0.215 1.00 64.11 N ATOM 452 CA GLY A 530 -9.006 -15.805 0.081 1.00 43.34 C ATOM 453 C GLY A 530 -7.663 -15.992 0.742 1.00 3.42 C ATOM 454 O GLY A 530 -6.698 -16.409 0.099 1.00 61.21 O ATOM 0 H GLY A 530 -9.145 -13.825 -0.537 1.00 64.11 H new ATOM 0 HA2 GLY A 530 -9.737 -16.476 0.532 1.00 43.34 H new ATOM 0 HA3 GLY A 530 -8.939 -16.070 -0.974 1.00 43.34 H new ATOM 458 N ALA A 531 -7.607 -15.659 2.024 1.00 53.33 N ATOM 459 CA ALA A 531 -6.393 -15.740 2.806 1.00 23.42 C ATOM 460 C ALA A 531 -6.006 -17.174 3.049 1.00 62.24 C ATOM 461 O ALA A 531 -6.604 -17.860 3.890 1.00 64.01 O ATOM 462 CB ALA A 531 -6.556 -15.006 4.126 1.00 44.33 C ATOM 0 H ALA A 531 -8.413 -15.323 2.550 1.00 53.33 H new ATOM 0 HA ALA A 531 -5.595 -15.261 2.239 1.00 23.42 H new ATOM 0 HB1 ALA A 531 -5.632 -15.079 4.699 1.00 44.33 H new ATOM 0 HB2 ALA A 531 -6.782 -13.957 3.934 1.00 44.33 H new ATOM 0 HB3 ALA A 531 -7.371 -15.455 4.694 1.00 44.33 H new ATOM 468 N ARG A 532 -5.069 -17.649 2.269 1.00 43.53 N ATOM 469 CA ARG A 532 -4.576 -18.987 2.379 1.00 52.02 C ATOM 470 C ARG A 532 -3.070 -18.972 2.497 1.00 71.15 C ATOM 471 O ARG A 532 -2.356 -18.784 1.500 1.00 24.23 O ATOM 472 CB ARG A 532 -4.995 -19.821 1.162 1.00 73.32 C ATOM 473 CG ARG A 532 -6.492 -19.892 0.941 1.00 44.44 C ATOM 474 CD ARG A 532 -7.185 -20.511 2.128 1.00 62.21 C ATOM 475 NE ARG A 532 -8.633 -20.512 1.970 1.00 73.21 N ATOM 476 CZ ARG A 532 -9.477 -21.238 2.698 1.00 65.11 C ATOM 477 NH1 ARG A 532 -9.021 -22.109 3.594 1.00 33.35 N ATOM 478 NH2 ARG A 532 -10.774 -21.115 2.506 1.00 14.23 N ATOM 0 H ARG A 532 -4.624 -17.104 1.530 1.00 43.53 H new ATOM 0 HA ARG A 532 -5.004 -19.440 3.273 1.00 52.02 H new ATOM 0 HB2 ARG A 532 -4.527 -19.402 0.271 1.00 73.32 H new ATOM 0 HB3 ARG A 532 -4.608 -20.833 1.279 1.00 73.32 H new ATOM 0 HG2 ARG A 532 -6.885 -18.890 0.767 1.00 44.44 H new ATOM 0 HG3 ARG A 532 -6.704 -20.477 0.046 1.00 44.44 H new ATOM 0 HD2 ARG A 532 -6.833 -21.534 2.261 1.00 62.21 H new ATOM 0 HD3 ARG A 532 -6.918 -19.962 3.031 1.00 62.21 H new ATOM 0 HE ARG A 532 -9.029 -19.911 1.247 1.00 73.21 H new ATOM 0 HH11 ARG A 532 -8.016 -22.225 3.727 1.00 33.35 H new ATOM 0 HH12 ARG A 532 -9.676 -22.661 4.148 1.00 33.35 H new ATOM 0 HH21 ARG A 532 -11.126 -20.466 1.802 1.00 14.23 H new ATOM 0 HH22 ARG A 532 -11.426 -21.669 3.061 1.00 14.23 H new ATOM 492 N GLY A 533 -2.596 -19.112 3.693 1.00 34.21 N ATOM 493 CA GLY A 533 -1.195 -19.171 3.915 1.00 21.35 C ATOM 494 C GLY A 533 -0.629 -17.892 4.446 1.00 41.11 C ATOM 495 O GLY A 533 -1.294 -16.846 4.441 1.00 5.11 O ATOM 0 H GLY A 533 -3.167 -19.188 4.535 1.00 34.21 H new ATOM 0 HA2 GLY A 533 -0.978 -19.976 4.617 1.00 21.35 H new ATOM 0 HA3 GLY A 533 -0.695 -19.421 2.979 1.00 21.35 H new ATOM 499 N ASN A 534 0.569 -17.993 4.941 1.00 22.02 N ATOM 500 CA ASN A 534 1.314 -16.871 5.428 1.00 51.14 C ATOM 501 C ASN A 534 1.906 -16.163 4.224 1.00 53.30 C ATOM 502 O ASN A 534 2.591 -16.785 3.392 1.00 33.45 O ATOM 503 CB ASN A 534 2.404 -17.370 6.401 1.00 74.41 C ATOM 504 CG ASN A 534 3.312 -16.293 6.995 1.00 21.24 C ATOM 505 OD1 ASN A 534 2.819 -15.104 7.203 1.00 1.22 O flip ATOM 506 ND2 ASN A 534 4.467 -16.560 7.288 1.00 51.55 N flip ATOM 0 H ASN A 534 1.067 -18.880 5.019 1.00 22.02 H new ATOM 0 HA ASN A 534 0.685 -16.172 5.978 1.00 51.14 H new ATOM 0 HB2 ASN A 534 1.918 -17.900 7.220 1.00 74.41 H new ATOM 0 HB3 ASN A 534 3.027 -18.095 5.877 1.00 74.41 H new ATOM 0 HD21 ASN A 534 4.833 -17.497 7.117 1.00 51.55 H new ATOM 0 HD22 ASN A 534 5.066 -15.846 7.704 1.00 51.55 H new ATOM 513 N VAL A 535 1.599 -14.901 4.089 1.00 10.44 N ATOM 514 CA VAL A 535 2.014 -14.127 2.946 1.00 71.43 C ATOM 515 C VAL A 535 2.781 -12.905 3.399 1.00 23.43 C ATOM 516 O VAL A 535 2.440 -12.280 4.396 1.00 33.10 O ATOM 517 CB VAL A 535 0.787 -13.697 2.072 1.00 24.03 C ATOM 518 CG1 VAL A 535 1.212 -12.874 0.867 1.00 41.52 C ATOM 519 CG2 VAL A 535 0.035 -14.913 1.599 1.00 74.03 C ATOM 0 H VAL A 535 1.051 -14.377 4.771 1.00 10.44 H new ATOM 0 HA VAL A 535 2.661 -14.753 2.332 1.00 71.43 H new ATOM 0 HB VAL A 535 0.144 -13.080 2.699 1.00 24.03 H new ATOM 0 HG11 VAL A 535 0.332 -12.596 0.287 1.00 41.52 H new ATOM 0 HG12 VAL A 535 1.724 -11.973 1.204 1.00 41.52 H new ATOM 0 HG13 VAL A 535 1.886 -13.462 0.244 1.00 41.52 H new ATOM 0 HG21 VAL A 535 -0.816 -14.602 0.993 1.00 74.03 H new ATOM 0 HG22 VAL A 535 0.696 -15.540 1.001 1.00 74.03 H new ATOM 0 HG23 VAL A 535 -0.321 -15.478 2.460 1.00 74.03 H new ATOM 529 N ILE A 536 3.819 -12.601 2.690 1.00 13.53 N ATOM 530 CA ILE A 536 4.634 -11.455 2.953 1.00 63.33 C ATOM 531 C ILE A 536 4.322 -10.378 1.924 1.00 53.24 C ATOM 532 O ILE A 536 4.118 -10.684 0.758 1.00 61.13 O ATOM 533 CB ILE A 536 6.140 -11.829 2.880 1.00 42.41 C ATOM 534 CG1 ILE A 536 6.548 -12.756 4.022 1.00 35.43 C ATOM 535 CG2 ILE A 536 7.007 -10.607 2.863 1.00 4.32 C ATOM 536 CD1 ILE A 536 6.420 -12.144 5.395 1.00 32.14 C ATOM 0 H ILE A 536 4.133 -13.154 1.893 1.00 13.53 H new ATOM 0 HA ILE A 536 4.419 -11.086 3.956 1.00 63.33 H new ATOM 0 HB ILE A 536 6.288 -12.366 1.943 1.00 42.41 H new ATOM 0 HG12 ILE A 536 5.935 -13.656 3.980 1.00 35.43 H new ATOM 0 HG13 ILE A 536 7.582 -13.067 3.870 1.00 35.43 H new ATOM 0 HG21 ILE A 536 8.054 -10.905 2.812 1.00 4.32 H new ATOM 0 HG22 ILE A 536 6.760 -9.998 1.994 1.00 4.32 H new ATOM 0 HG23 ILE A 536 6.838 -10.029 3.771 1.00 4.32 H new ATOM 0 HD11 ILE A 536 6.730 -12.870 6.147 1.00 32.14 H new ATOM 0 HD12 ILE A 536 7.055 -11.260 5.460 1.00 32.14 H new ATOM 0 HD13 ILE A 536 5.383 -11.859 5.571 1.00 32.14 H new ATOM 548 N VAL A 537 4.252 -9.146 2.352 1.00 54.44 N ATOM 549 CA VAL A 537 4.021 -8.049 1.441 1.00 41.23 C ATOM 550 C VAL A 537 5.217 -7.091 1.481 1.00 44.33 C ATOM 551 O VAL A 537 5.437 -6.418 2.488 1.00 31.24 O ATOM 552 CB VAL A 537 2.720 -7.262 1.768 1.00 4.13 C ATOM 553 CG1 VAL A 537 2.455 -6.183 0.723 1.00 32.41 C ATOM 554 CG2 VAL A 537 1.527 -8.195 1.892 1.00 73.23 C ATOM 0 H VAL A 537 4.352 -8.873 3.330 1.00 54.44 H new ATOM 0 HA VAL A 537 3.902 -8.476 0.445 1.00 41.23 H new ATOM 0 HB VAL A 537 2.865 -6.773 2.732 1.00 4.13 H new ATOM 0 HG11 VAL A 537 1.540 -5.648 0.976 1.00 32.41 H new ATOM 0 HG12 VAL A 537 3.290 -5.483 0.703 1.00 32.41 H new ATOM 0 HG13 VAL A 537 2.346 -6.646 -0.258 1.00 32.41 H new ATOM 0 HG21 VAL A 537 0.633 -7.614 2.121 1.00 73.23 H new ATOM 0 HG22 VAL A 537 1.383 -8.728 0.952 1.00 73.23 H new ATOM 0 HG23 VAL A 537 1.708 -8.913 2.692 1.00 73.23 H new ATOM 564 N PRO A 538 6.033 -7.056 0.423 1.00 52.53 N ATOM 565 CA PRO A 538 7.168 -6.138 0.347 1.00 65.35 C ATOM 566 C PRO A 538 6.694 -4.703 0.086 1.00 41.13 C ATOM 567 O PRO A 538 5.772 -4.485 -0.703 1.00 24.22 O ATOM 568 CB PRO A 538 7.977 -6.671 -0.844 1.00 13.05 C ATOM 569 CG PRO A 538 6.993 -7.382 -1.701 1.00 53.31 C ATOM 570 CD PRO A 538 5.915 -7.902 -0.785 1.00 61.11 C ATOM 0 HA PRO A 538 7.745 -6.097 1.271 1.00 65.35 H new ATOM 0 HB2 PRO A 538 8.457 -5.858 -1.388 1.00 13.05 H new ATOM 0 HB3 PRO A 538 8.768 -7.344 -0.512 1.00 13.05 H new ATOM 0 HG2 PRO A 538 6.574 -6.709 -2.449 1.00 53.31 H new ATOM 0 HG3 PRO A 538 7.470 -8.200 -2.241 1.00 53.31 H new ATOM 0 HD2 PRO A 538 4.928 -7.814 -1.239 1.00 61.11 H new ATOM 0 HD3 PRO A 538 6.065 -8.956 -0.550 1.00 61.11 H new ATOM 578 N TYR A 539 7.292 -3.738 0.747 1.00 52.04 N ATOM 579 CA TYR A 539 6.882 -2.357 0.578 1.00 14.03 C ATOM 580 C TYR A 539 8.074 -1.429 0.706 1.00 32.51 C ATOM 581 O TYR A 539 9.118 -1.819 1.258 1.00 52.23 O ATOM 582 CB TYR A 539 5.805 -1.975 1.614 1.00 34.53 C ATOM 583 CG TYR A 539 6.291 -1.895 3.051 1.00 51.23 C ATOM 584 CD1 TYR A 539 6.302 -3.010 3.870 1.00 73.34 C ATOM 585 CD2 TYR A 539 6.728 -0.691 3.582 1.00 12.55 C ATOM 586 CE1 TYR A 539 6.736 -2.925 5.177 1.00 2.31 C ATOM 587 CE2 TYR A 539 7.163 -0.602 4.878 1.00 54.14 C ATOM 588 CZ TYR A 539 7.168 -1.713 5.672 1.00 55.33 C ATOM 589 OH TYR A 539 7.599 -1.606 6.975 1.00 71.33 O ATOM 0 H TYR A 539 8.060 -3.879 1.404 1.00 52.04 H new ATOM 0 HA TYR A 539 6.458 -2.251 -0.421 1.00 14.03 H new ATOM 0 HB2 TYR A 539 5.382 -1.010 1.336 1.00 34.53 H new ATOM 0 HB3 TYR A 539 4.997 -2.704 1.560 1.00 34.53 H new ATOM 0 HD1 TYR A 539 5.966 -3.960 3.481 1.00 73.34 H new ATOM 0 HD2 TYR A 539 6.725 0.193 2.962 1.00 12.55 H new ATOM 0 HE1 TYR A 539 6.737 -3.802 5.808 1.00 2.31 H new ATOM 0 HE2 TYR A 539 7.501 0.345 5.271 1.00 54.14 H new ATOM 0 HH TYR A 539 7.988 -2.459 7.262 1.00 71.33 H new ATOM 599 N LYS A 540 7.922 -0.218 0.210 1.00 10.54 N ATOM 600 CA LYS A 540 8.951 0.796 0.306 1.00 13.42 C ATOM 601 C LYS A 540 8.360 2.202 0.229 1.00 3.52 C ATOM 602 O LYS A 540 7.306 2.408 -0.397 1.00 62.41 O ATOM 603 CB LYS A 540 10.084 0.566 -0.749 1.00 61.32 C ATOM 604 CG LYS A 540 9.639 0.345 -2.216 1.00 73.33 C ATOM 605 CD LYS A 540 9.074 1.597 -2.879 1.00 15.50 C ATOM 606 CE LYS A 540 8.608 1.327 -4.305 1.00 64.23 C ATOM 607 NZ LYS A 540 9.702 0.868 -5.194 1.00 41.50 N ATOM 0 H LYS A 540 7.078 0.091 -0.273 1.00 10.54 H new ATOM 0 HA LYS A 540 9.415 0.705 1.288 1.00 13.42 H new ATOM 0 HB2 LYS A 540 10.752 1.427 -0.723 1.00 61.32 H new ATOM 0 HB3 LYS A 540 10.668 -0.300 -0.437 1.00 61.32 H new ATOM 0 HG2 LYS A 540 10.491 -0.010 -2.796 1.00 73.33 H new ATOM 0 HG3 LYS A 540 8.885 -0.442 -2.243 1.00 73.33 H new ATOM 0 HD2 LYS A 540 8.238 1.974 -2.290 1.00 15.50 H new ATOM 0 HD3 LYS A 540 9.835 2.377 -2.888 1.00 15.50 H new ATOM 0 HE2 LYS A 540 7.821 0.573 -4.288 1.00 64.23 H new ATOM 0 HE3 LYS A 540 8.170 2.236 -4.717 1.00 64.23 H new ATOM 0 HZ1 LYS A 540 9.364 0.847 -6.177 1.00 41.50 H new ATOM 0 HZ2 LYS A 540 10.508 1.521 -5.118 1.00 41.50 H new ATOM 0 HZ3 LYS A 540 10.002 -0.087 -4.911 1.00 41.50 H new ATOM 621 N THR A 541 8.981 3.129 0.916 1.00 32.33 N ATOM 622 CA THR A 541 8.621 4.523 0.834 1.00 72.33 C ATOM 623 C THR A 541 9.324 5.177 -0.358 1.00 32.02 C ATOM 624 O THR A 541 10.532 4.978 -0.553 1.00 41.20 O ATOM 625 CB THR A 541 9.074 5.259 2.105 1.00 51.52 C ATOM 626 OG1 THR A 541 10.419 4.885 2.396 1.00 3.30 O ATOM 627 CG2 THR A 541 8.206 4.949 3.303 1.00 13.22 C ATOM 0 H THR A 541 9.755 2.936 1.552 1.00 32.33 H new ATOM 0 HA THR A 541 7.539 4.588 0.721 1.00 72.33 H new ATOM 0 HB THR A 541 8.990 6.329 1.913 1.00 51.52 H new ATOM 0 HG1 THR A 541 10.927 4.815 1.561 1.00 3.30 H new ATOM 0 HG21 THR A 541 8.574 5.497 4.170 1.00 13.22 H new ATOM 0 HG22 THR A 541 7.178 5.247 3.095 1.00 13.22 H new ATOM 0 HG23 THR A 541 8.239 3.879 3.509 1.00 13.22 H new ATOM 635 N ILE A 542 8.589 5.911 -1.146 1.00 55.02 N ATOM 636 CA ILE A 542 9.160 6.692 -2.223 1.00 14.51 C ATOM 637 C ILE A 542 9.402 8.076 -1.661 1.00 32.31 C ATOM 638 O ILE A 542 8.469 8.679 -1.127 1.00 33.35 O ATOM 639 CB ILE A 542 8.211 6.829 -3.473 1.00 62.42 C ATOM 640 CG1 ILE A 542 7.897 5.481 -4.157 1.00 43.20 C ATOM 641 CG2 ILE A 542 8.770 7.815 -4.490 1.00 61.23 C ATOM 642 CD1 ILE A 542 6.911 4.607 -3.417 1.00 72.54 C ATOM 0 H ILE A 542 7.575 5.989 -1.065 1.00 55.02 H new ATOM 0 HA ILE A 542 10.064 6.193 -2.571 1.00 14.51 H new ATOM 0 HB ILE A 542 7.269 7.213 -3.083 1.00 62.42 H new ATOM 0 HG12 ILE A 542 7.507 5.679 -5.155 1.00 43.20 H new ATOM 0 HG13 ILE A 542 8.828 4.928 -4.282 1.00 43.20 H new ATOM 0 HG21 ILE A 542 8.091 7.886 -5.340 1.00 61.23 H new ATOM 0 HG22 ILE A 542 8.874 8.796 -4.026 1.00 61.23 H new ATOM 0 HG23 ILE A 542 9.745 7.470 -4.833 1.00 61.23 H new ATOM 0 HD11 ILE A 542 6.754 3.683 -3.974 1.00 72.54 H new ATOM 0 HD12 ILE A 542 7.304 4.372 -2.428 1.00 72.54 H new ATOM 0 HD13 ILE A 542 5.963 5.134 -3.315 1.00 72.54 H new ATOM 654 N GLU A 543 10.636 8.552 -1.745 1.00 61.35 N ATOM 655 CA GLU A 543 11.014 9.858 -1.217 1.00 42.24 C ATOM 656 C GLU A 543 10.165 10.954 -1.834 1.00 73.50 C ATOM 657 O GLU A 543 9.558 11.769 -1.119 1.00 12.23 O ATOM 658 CB GLU A 543 12.502 10.171 -1.470 1.00 65.04 C ATOM 659 CG GLU A 543 13.483 9.097 -1.027 1.00 31.03 C ATOM 660 CD GLU A 543 13.749 8.057 -2.094 1.00 62.42 C ATOM 661 OE1 GLU A 543 12.855 7.250 -2.398 1.00 32.01 O ATOM 662 OE2 GLU A 543 14.864 8.029 -2.647 1.00 5.32 O ATOM 0 H GLU A 543 11.405 8.044 -2.181 1.00 61.35 H new ATOM 0 HA GLU A 543 10.845 9.824 -0.141 1.00 42.24 H new ATOM 0 HB2 GLU A 543 12.642 10.348 -2.536 1.00 65.04 H new ATOM 0 HB3 GLU A 543 12.752 11.100 -0.957 1.00 65.04 H new ATOM 0 HG2 GLU A 543 14.425 9.568 -0.745 1.00 31.03 H new ATOM 0 HG3 GLU A 543 13.094 8.603 -0.136 1.00 31.03 H new ATOM 669 N GLY A 544 10.128 10.968 -3.155 1.00 62.55 N ATOM 670 CA GLY A 544 9.357 11.943 -3.885 1.00 62.23 C ATOM 671 C GLY A 544 9.966 13.323 -3.800 1.00 1.12 C ATOM 672 O GLY A 544 10.676 13.756 -4.703 1.00 41.14 O ATOM 0 H GLY A 544 10.631 10.305 -3.744 1.00 62.55 H new ATOM 0 HA2 GLY A 544 9.287 11.641 -4.930 1.00 62.23 H new ATOM 0 HA3 GLY A 544 8.341 11.970 -3.492 1.00 62.23 H new ATOM 676 N THR A 545 9.690 14.001 -2.720 1.00 71.12 N ATOM 677 CA THR A 545 10.220 15.312 -2.490 1.00 52.11 C ATOM 678 C THR A 545 10.784 15.404 -1.056 1.00 74.33 C ATOM 679 O THR A 545 11.215 16.463 -0.597 1.00 43.14 O ATOM 680 CB THR A 545 9.136 16.408 -2.755 1.00 54.23 C ATOM 681 OG1 THR A 545 9.700 17.717 -2.627 1.00 4.45 O ATOM 682 CG2 THR A 545 7.965 16.272 -1.791 1.00 12.22 C ATOM 0 H THR A 545 9.088 13.656 -1.973 1.00 71.12 H new ATOM 0 HA THR A 545 11.036 15.493 -3.190 1.00 52.11 H new ATOM 0 HB THR A 545 8.773 16.266 -3.773 1.00 54.23 H new ATOM 0 HG1 THR A 545 10.398 17.707 -1.939 1.00 4.45 H new ATOM 0 HG21 THR A 545 7.229 17.048 -2.001 1.00 12.22 H new ATOM 0 HG22 THR A 545 7.504 15.292 -1.914 1.00 12.22 H new ATOM 0 HG23 THR A 545 8.323 16.379 -0.767 1.00 12.22 H new ATOM 690 N ALA A 546 10.786 14.282 -0.367 1.00 13.33 N ATOM 691 CA ALA A 546 11.312 14.212 0.971 1.00 0.23 C ATOM 692 C ALA A 546 12.661 13.485 0.956 1.00 33.35 C ATOM 693 O ALA A 546 13.118 13.032 -0.101 1.00 5.13 O ATOM 694 CB ALA A 546 10.316 13.525 1.889 1.00 11.23 C ATOM 0 H ALA A 546 10.423 13.397 -0.722 1.00 13.33 H new ATOM 0 HA ALA A 546 11.474 15.219 1.355 1.00 0.23 H new ATOM 0 HB1 ALA A 546 10.724 13.478 2.899 1.00 11.23 H new ATOM 0 HB2 ALA A 546 9.383 14.089 1.901 1.00 11.23 H new ATOM 0 HB3 ALA A 546 10.125 12.515 1.527 1.00 11.23 H new ATOM 700 N ARG A 547 13.281 13.362 2.106 1.00 61.14 N ATOM 701 CA ARG A 547 14.588 12.777 2.211 1.00 31.12 C ATOM 702 C ARG A 547 14.529 11.695 3.302 1.00 72.30 C ATOM 703 O ARG A 547 14.135 11.977 4.449 1.00 13.11 O ATOM 704 CB ARG A 547 15.562 13.917 2.579 1.00 44.51 C ATOM 705 CG ARG A 547 17.055 13.681 2.350 1.00 64.40 C ATOM 706 CD ARG A 547 17.624 12.584 3.205 1.00 5.31 C ATOM 707 NE ARG A 547 19.078 12.544 3.155 1.00 71.05 N ATOM 708 CZ ARG A 547 19.860 11.811 3.952 1.00 34.12 C ATOM 709 NH1 ARG A 547 19.333 10.988 4.854 1.00 32.35 N ATOM 710 NH2 ARG A 547 21.164 11.897 3.840 1.00 72.24 N ATOM 0 H ARG A 547 12.888 13.668 2.996 1.00 61.14 H new ATOM 0 HA ARG A 547 14.924 12.309 1.286 1.00 31.12 H new ATOM 0 HB2 ARG A 547 15.272 14.801 2.012 1.00 44.51 H new ATOM 0 HB3 ARG A 547 15.418 14.153 3.633 1.00 44.51 H new ATOM 0 HG2 ARG A 547 17.220 13.436 1.301 1.00 64.40 H new ATOM 0 HG3 ARG A 547 17.596 14.606 2.550 1.00 64.40 H new ATOM 0 HD2 ARG A 547 17.302 12.726 4.237 1.00 5.31 H new ATOM 0 HD3 ARG A 547 17.225 11.625 2.875 1.00 5.31 H new ATOM 0 HE ARG A 547 19.538 13.124 2.453 1.00 71.05 H new ATOM 0 HH11 ARG A 547 18.320 10.911 4.944 1.00 32.35 H new ATOM 0 HH12 ARG A 547 19.942 10.434 5.456 1.00 32.35 H new ATOM 0 HH21 ARG A 547 21.576 12.521 3.147 1.00 72.24 H new ATOM 0 HH22 ARG A 547 21.766 11.339 4.446 1.00 72.24 H new ATOM 724 N GLY A 548 14.906 10.478 2.952 1.00 5.11 N ATOM 725 CA GLY A 548 14.840 9.367 3.889 1.00 44.23 C ATOM 726 C GLY A 548 16.043 9.305 4.809 1.00 22.23 C ATOM 727 O GLY A 548 16.647 10.336 5.118 1.00 14.42 O ATOM 0 H GLY A 548 15.261 10.233 2.028 1.00 5.11 H new ATOM 0 HA2 GLY A 548 13.934 9.456 4.488 1.00 44.23 H new ATOM 0 HA3 GLY A 548 14.764 8.432 3.333 1.00 44.23 H new ATOM 731 N GLY A 549 16.385 8.117 5.254 1.00 24.32 N ATOM 732 CA GLY A 549 17.516 7.926 6.147 1.00 61.24 C ATOM 733 C GLY A 549 17.311 8.549 7.518 1.00 13.33 C ATOM 734 O GLY A 549 18.279 8.796 8.237 1.00 55.34 O ATOM 0 H GLY A 549 15.893 7.257 5.011 1.00 24.32 H new ATOM 0 HA2 GLY A 549 17.701 6.858 6.265 1.00 61.24 H new ATOM 0 HA3 GLY A 549 18.408 8.355 5.690 1.00 61.24 H new ATOM 738 N GLY A 550 16.058 8.816 7.875 1.00 22.42 N ATOM 739 CA GLY A 550 15.770 9.429 9.142 1.00 23.41 C ATOM 740 C GLY A 550 16.074 10.911 9.126 1.00 3.31 C ATOM 741 O GLY A 550 16.481 11.477 10.135 1.00 50.33 O ATOM 0 H GLY A 550 15.240 8.614 7.301 1.00 22.42 H new ATOM 0 HA2 GLY A 550 14.720 9.275 9.391 1.00 23.41 H new ATOM 0 HA3 GLY A 550 16.357 8.945 9.923 1.00 23.41 H new ATOM 745 N GLU A 551 15.896 11.527 7.978 1.00 1.33 N ATOM 746 CA GLU A 551 16.161 12.942 7.835 1.00 2.54 C ATOM 747 C GLU A 551 14.850 13.721 7.870 1.00 2.23 C ATOM 748 O GLU A 551 14.614 14.500 8.771 1.00 51.14 O ATOM 749 CB GLU A 551 16.886 13.207 6.529 1.00 35.34 C ATOM 750 CG GLU A 551 17.408 14.623 6.366 1.00 23.51 C ATOM 751 CD GLU A 551 18.465 14.968 7.391 1.00 71.51 C ATOM 752 OE1 GLU A 551 18.118 15.321 8.525 1.00 0.42 O ATOM 753 OE2 GLU A 551 19.663 14.881 7.074 1.00 3.12 O ATOM 0 H GLU A 551 15.568 11.069 7.128 1.00 1.33 H new ATOM 0 HA GLU A 551 16.792 13.269 8.661 1.00 2.54 H new ATOM 0 HB2 GLU A 551 17.724 12.514 6.448 1.00 35.34 H new ATOM 0 HB3 GLU A 551 16.210 12.987 5.703 1.00 35.34 H new ATOM 0 HG2 GLU A 551 17.823 14.741 5.365 1.00 23.51 H new ATOM 0 HG3 GLU A 551 16.579 15.325 6.452 1.00 23.51 H new ATOM 760 N ASP A 552 14.013 13.517 6.871 1.00 72.30 N ATOM 761 CA ASP A 552 12.705 14.177 6.841 1.00 73.40 C ATOM 762 C ASP A 552 11.694 13.147 7.284 1.00 42.15 C ATOM 763 O ASP A 552 10.710 13.432 7.959 1.00 70.14 O ATOM 764 CB ASP A 552 12.372 14.647 5.421 1.00 5.15 C ATOM 765 CG ASP A 552 11.381 15.794 5.389 1.00 13.33 C ATOM 766 OD1 ASP A 552 10.261 15.670 5.800 1.00 51.12 O ATOM 767 OD2 ASP A 552 11.763 16.892 4.964 1.00 0.33 O ATOM 0 H ASP A 552 14.204 12.909 6.075 1.00 72.30 H new ATOM 0 HA ASP A 552 12.699 15.052 7.490 1.00 73.40 H new ATOM 0 HB2 ASP A 552 13.291 14.955 4.922 1.00 5.15 H new ATOM 0 HB3 ASP A 552 11.967 13.809 4.853 1.00 5.15 H new ATOM 772 N PHE A 553 11.982 11.920 6.910 1.00 14.34 N ATOM 773 CA PHE A 553 11.210 10.796 7.301 1.00 51.33 C ATOM 774 C PHE A 553 12.128 9.605 7.383 1.00 10.35 C ATOM 775 O PHE A 553 13.277 9.649 6.886 1.00 61.53 O ATOM 776 CB PHE A 553 10.066 10.516 6.322 1.00 65.42 C ATOM 777 CG PHE A 553 10.462 9.968 4.974 1.00 4.43 C ATOM 778 CD1 PHE A 553 11.030 10.772 4.011 1.00 55.21 C ATOM 779 CD2 PHE A 553 10.229 8.645 4.676 1.00 35.22 C ATOM 780 CE1 PHE A 553 11.359 10.264 2.770 1.00 52.25 C ATOM 781 CE2 PHE A 553 10.560 8.130 3.445 1.00 62.24 C ATOM 782 CZ PHE A 553 11.125 8.938 2.489 1.00 4.31 C ATOM 0 H PHE A 553 12.777 11.687 6.315 1.00 14.34 H new ATOM 0 HA PHE A 553 10.752 11.000 8.269 1.00 51.33 H new ATOM 0 HB2 PHE A 553 9.379 9.811 6.790 1.00 65.42 H new ATOM 0 HB3 PHE A 553 9.514 11.443 6.166 1.00 65.42 H new ATOM 0 HD1 PHE A 553 11.220 11.812 4.229 1.00 55.21 H new ATOM 0 HD2 PHE A 553 9.780 8.003 5.419 1.00 35.22 H new ATOM 0 HE1 PHE A 553 11.799 10.906 2.022 1.00 52.25 H new ATOM 0 HE2 PHE A 553 10.375 7.088 3.229 1.00 62.24 H new ATOM 0 HZ PHE A 553 11.384 8.534 1.521 1.00 4.31 H new ATOM 792 N GLU A 554 11.668 8.587 8.011 1.00 55.35 N ATOM 793 CA GLU A 554 12.383 7.363 8.124 1.00 64.31 C ATOM 794 C GLU A 554 11.879 6.480 6.984 1.00 1.44 C ATOM 795 O GLU A 554 10.695 6.119 6.950 1.00 65.45 O ATOM 796 CB GLU A 554 12.069 6.790 9.509 1.00 34.11 C ATOM 797 CG GLU A 554 12.949 5.666 10.020 1.00 73.31 C ATOM 798 CD GLU A 554 12.841 4.365 9.276 1.00 64.43 C ATOM 799 OE1 GLU A 554 11.928 3.572 9.563 1.00 30.24 O ATOM 800 OE2 GLU A 554 13.712 4.093 8.443 1.00 52.55 O ATOM 0 H GLU A 554 10.759 8.578 8.475 1.00 55.35 H new ATOM 0 HA GLU A 554 13.466 7.458 8.042 1.00 64.31 H new ATOM 0 HB2 GLU A 554 12.116 7.607 10.229 1.00 34.11 H new ATOM 0 HB3 GLU A 554 11.039 6.432 9.499 1.00 34.11 H new ATOM 0 HG2 GLU A 554 13.987 5.998 9.986 1.00 73.31 H new ATOM 0 HG3 GLU A 554 12.706 5.486 11.067 1.00 73.31 H new ATOM 807 N ASP A 555 12.744 6.205 6.017 1.00 12.25 N ATOM 808 CA ASP A 555 12.336 5.455 4.837 1.00 62.02 C ATOM 809 C ASP A 555 12.223 3.988 5.151 1.00 51.13 C ATOM 810 O ASP A 555 13.215 3.252 5.265 1.00 61.05 O ATOM 811 CB ASP A 555 13.237 5.719 3.593 1.00 23.34 C ATOM 812 CG ASP A 555 14.644 5.203 3.721 1.00 54.25 C ATOM 813 OD1 ASP A 555 15.402 5.739 4.558 1.00 62.14 O ATOM 814 OD2 ASP A 555 15.030 4.267 2.972 1.00 30.23 O ATOM 0 H ASP A 555 13.724 6.487 6.025 1.00 12.25 H new ATOM 0 HA ASP A 555 11.348 5.822 4.559 1.00 62.02 H new ATOM 0 HB2 ASP A 555 12.773 5.260 2.720 1.00 23.34 H new ATOM 0 HB3 ASP A 555 13.273 6.792 3.407 1.00 23.34 H new ATOM 819 N THR A 556 11.029 3.565 5.339 1.00 53.12 N ATOM 820 CA THR A 556 10.800 2.230 5.677 1.00 42.24 C ATOM 821 C THR A 556 10.576 1.383 4.431 1.00 42.33 C ATOM 822 O THR A 556 9.716 1.666 3.579 1.00 55.32 O ATOM 823 CB THR A 556 9.679 2.061 6.738 1.00 62.43 C ATOM 824 OG1 THR A 556 9.527 0.678 7.108 1.00 71.10 O ATOM 825 CG2 THR A 556 8.364 2.615 6.246 1.00 61.33 C ATOM 0 H THR A 556 10.191 4.141 5.261 1.00 53.12 H new ATOM 0 HA THR A 556 11.703 1.857 6.160 1.00 42.24 H new ATOM 0 HB THR A 556 9.978 2.629 7.619 1.00 62.43 H new ATOM 0 HG1 THR A 556 8.697 0.326 6.724 1.00 71.10 H new ATOM 0 HG21 THR A 556 7.602 2.480 7.014 1.00 61.33 H new ATOM 0 HG22 THR A 556 8.475 3.677 6.028 1.00 61.33 H new ATOM 0 HG23 THR A 556 8.063 2.089 5.340 1.00 61.33 H new ATOM 833 N CYS A 557 11.405 0.411 4.307 1.00 45.21 N ATOM 834 CA CYS A 557 11.353 -0.527 3.255 1.00 51.24 C ATOM 835 C CYS A 557 11.585 -1.877 3.873 1.00 3.03 C ATOM 836 O CYS A 557 12.615 -2.097 4.523 1.00 31.20 O ATOM 837 CB CYS A 557 12.413 -0.180 2.201 1.00 72.44 C ATOM 838 SG CYS A 557 14.084 0.047 2.867 1.00 64.12 S ATOM 0 H CYS A 557 12.167 0.244 4.964 1.00 45.21 H new ATOM 0 HA CYS A 557 10.391 -0.519 2.742 1.00 51.24 H new ATOM 0 HB2 CYS A 557 12.438 -0.973 1.453 1.00 72.44 H new ATOM 0 HB3 CYS A 557 12.112 0.733 1.688 1.00 72.44 H new ATOM 0 HG CYS A 557 14.251 -0.731 3.895 1.00 64.12 H new ATOM 844 N GLY A 558 10.628 -2.742 3.742 1.00 33.41 N ATOM 845 CA GLY A 558 10.710 -4.008 4.369 1.00 34.02 C ATOM 846 C GLY A 558 9.628 -4.899 3.888 1.00 72.52 C ATOM 847 O GLY A 558 9.117 -4.714 2.775 1.00 11.23 O ATOM 0 H GLY A 558 9.778 -2.585 3.201 1.00 33.41 H new ATOM 0 HA2 GLY A 558 11.680 -4.460 4.162 1.00 34.02 H new ATOM 0 HA3 GLY A 558 10.638 -3.890 5.450 1.00 34.02 H new ATOM 851 N GLU A 559 9.243 -5.825 4.705 1.00 33.02 N ATOM 852 CA GLU A 559 8.263 -6.809 4.344 1.00 24.14 C ATOM 853 C GLU A 559 7.233 -7.000 5.464 1.00 1.30 C ATOM 854 O GLU A 559 7.602 -7.184 6.620 1.00 33.14 O ATOM 855 CB GLU A 559 8.989 -8.118 4.007 1.00 3.44 C ATOM 856 CG GLU A 559 9.702 -8.101 2.652 1.00 10.43 C ATOM 857 CD GLU A 559 10.558 -9.325 2.381 1.00 53.25 C ATOM 858 OE1 GLU A 559 10.031 -10.408 2.081 1.00 64.42 O ATOM 859 OE2 GLU A 559 11.801 -9.203 2.421 1.00 34.54 O ATOM 0 H GLU A 559 9.602 -5.924 5.655 1.00 33.02 H new ATOM 0 HA GLU A 559 7.707 -6.474 3.469 1.00 24.14 H new ATOM 0 HB2 GLU A 559 9.719 -8.328 4.788 1.00 3.44 H new ATOM 0 HB3 GLU A 559 8.268 -8.935 4.017 1.00 3.44 H new ATOM 0 HG2 GLU A 559 8.955 -8.012 1.863 1.00 10.43 H new ATOM 0 HG3 GLU A 559 10.331 -7.213 2.597 1.00 10.43 H new ATOM 866 N LEU A 560 5.962 -6.894 5.111 1.00 61.35 N ATOM 867 CA LEU A 560 4.852 -7.091 6.047 1.00 22.21 C ATOM 868 C LEU A 560 4.476 -8.555 6.077 1.00 3.34 C ATOM 869 O LEU A 560 4.696 -9.259 5.096 1.00 5.44 O ATOM 870 CB LEU A 560 3.623 -6.298 5.607 1.00 61.24 C ATOM 871 CG LEU A 560 3.729 -4.780 5.606 1.00 53.12 C ATOM 872 CD1 LEU A 560 2.478 -4.175 5.013 1.00 3.51 C ATOM 873 CD2 LEU A 560 3.937 -4.255 7.016 1.00 14.41 C ATOM 0 H LEU A 560 5.663 -6.668 4.162 1.00 61.35 H new ATOM 0 HA LEU A 560 5.173 -6.750 7.031 1.00 22.21 H new ATOM 0 HB2 LEU A 560 3.360 -6.617 4.599 1.00 61.24 H new ATOM 0 HB3 LEU A 560 2.793 -6.577 6.256 1.00 61.24 H new ATOM 0 HG LEU A 560 4.589 -4.496 5.000 1.00 53.12 H new ATOM 0 HD11 LEU A 560 2.563 -3.088 5.016 1.00 3.51 H new ATOM 0 HD12 LEU A 560 2.354 -4.526 3.989 1.00 3.51 H new ATOM 0 HD13 LEU A 560 1.613 -4.473 5.606 1.00 3.51 H new ATOM 0 HD21 LEU A 560 4.010 -3.168 6.992 1.00 14.41 H new ATOM 0 HD22 LEU A 560 3.094 -4.548 7.642 1.00 14.41 H new ATOM 0 HD23 LEU A 560 4.856 -4.672 7.427 1.00 14.41 H new ATOM 885 N GLU A 561 3.881 -9.001 7.158 1.00 51.34 N ATOM 886 CA GLU A 561 3.522 -10.384 7.296 1.00 63.02 C ATOM 887 C GLU A 561 2.013 -10.551 7.572 1.00 64.15 C ATOM 888 O GLU A 561 1.485 -10.024 8.550 1.00 72.13 O ATOM 889 CB GLU A 561 4.369 -10.995 8.410 1.00 31.12 C ATOM 890 CG GLU A 561 4.348 -12.499 8.465 1.00 10.12 C ATOM 891 CD GLU A 561 5.331 -13.043 9.469 1.00 74.22 C ATOM 892 OE1 GLU A 561 6.537 -12.716 9.376 1.00 12.11 O ATOM 893 OE2 GLU A 561 4.924 -13.789 10.380 1.00 60.13 O ATOM 0 H GLU A 561 3.636 -8.418 7.958 1.00 51.34 H new ATOM 0 HA GLU A 561 3.721 -10.908 6.361 1.00 63.02 H new ATOM 0 HB2 GLU A 561 5.400 -10.664 8.286 1.00 31.12 H new ATOM 0 HB3 GLU A 561 4.022 -10.605 9.367 1.00 31.12 H new ATOM 0 HG2 GLU A 561 3.344 -12.838 8.721 1.00 10.12 H new ATOM 0 HG3 GLU A 561 4.578 -12.901 7.478 1.00 10.12 H new ATOM 900 N PHE A 562 1.339 -11.245 6.675 1.00 75.33 N ATOM 901 CA PHE A 562 -0.082 -11.579 6.797 1.00 72.22 C ATOM 902 C PHE A 562 -0.236 -13.065 6.953 1.00 25.12 C ATOM 903 O PHE A 562 0.556 -13.831 6.408 1.00 62.12 O ATOM 904 CB PHE A 562 -0.862 -11.184 5.546 1.00 41.52 C ATOM 905 CG PHE A 562 -1.326 -9.774 5.485 1.00 20.22 C ATOM 906 CD1 PHE A 562 -2.547 -9.433 6.033 1.00 60.44 C ATOM 907 CD2 PHE A 562 -0.583 -8.803 4.851 1.00 15.45 C ATOM 908 CE1 PHE A 562 -3.022 -8.151 5.950 1.00 52.51 C ATOM 909 CE2 PHE A 562 -1.048 -7.509 4.770 1.00 52.02 C ATOM 910 CZ PHE A 562 -2.275 -7.187 5.320 1.00 65.24 C ATOM 0 H PHE A 562 1.766 -11.603 5.821 1.00 75.33 H new ATOM 0 HA PHE A 562 -0.467 -11.036 7.660 1.00 72.22 H new ATOM 0 HB2 PHE A 562 -0.235 -11.377 4.675 1.00 41.52 H new ATOM 0 HB3 PHE A 562 -1.732 -11.836 5.464 1.00 41.52 H new ATOM 0 HD1 PHE A 562 -3.135 -10.188 6.534 1.00 60.44 H new ATOM 0 HD2 PHE A 562 0.371 -9.058 4.414 1.00 15.45 H new ATOM 0 HE1 PHE A 562 -3.981 -7.900 6.379 1.00 52.51 H new ATOM 0 HE2 PHE A 562 -0.457 -6.750 4.279 1.00 52.02 H new ATOM 0 HZ PHE A 562 -2.646 -6.175 5.254 1.00 65.24 H new ATOM 920 N GLN A 563 -1.240 -13.496 7.670 1.00 41.41 N ATOM 921 CA GLN A 563 -1.477 -14.914 7.812 1.00 1.30 C ATOM 922 C GLN A 563 -2.911 -15.222 7.456 1.00 63.22 C ATOM 923 O GLN A 563 -3.729 -14.312 7.351 1.00 43.44 O ATOM 924 CB GLN A 563 -1.170 -15.373 9.232 1.00 25.55 C ATOM 925 CG GLN A 563 0.225 -15.007 9.693 1.00 70.54 C ATOM 926 CD GLN A 563 0.561 -15.582 11.034 1.00 72.43 C ATOM 927 OE1 GLN A 563 0.296 -14.976 12.062 1.00 34.23 O ATOM 928 NE2 GLN A 563 1.157 -16.740 11.037 1.00 63.53 N ATOM 0 H GLN A 563 -1.902 -12.896 8.161 1.00 41.41 H new ATOM 0 HA GLN A 563 -0.815 -15.453 7.135 1.00 1.30 H new ATOM 0 HB2 GLN A 563 -1.897 -14.932 9.914 1.00 25.55 H new ATOM 0 HB3 GLN A 563 -1.292 -16.455 9.291 1.00 25.55 H new ATOM 0 HG2 GLN A 563 0.950 -15.360 8.959 1.00 70.54 H new ATOM 0 HG3 GLN A 563 0.316 -13.922 9.735 1.00 70.54 H new ATOM 0 HE21 GLN A 563 1.360 -17.212 10.156 1.00 63.53 H new ATOM 0 HE22 GLN A 563 1.421 -17.175 11.921 1.00 63.53 H new ATOM 937 N ASN A 564 -3.229 -16.490 7.288 1.00 0.35 N ATOM 938 CA ASN A 564 -4.594 -16.902 6.974 1.00 21.13 C ATOM 939 C ASN A 564 -5.529 -16.628 8.136 1.00 10.21 C ATOM 940 O ASN A 564 -6.724 -16.445 7.959 1.00 22.14 O ATOM 941 CB ASN A 564 -4.682 -18.395 6.547 1.00 21.11 C ATOM 942 CG ASN A 564 -4.118 -19.418 7.554 1.00 13.52 C ATOM 943 OD1 ASN A 564 -4.111 -19.209 8.762 1.00 22.45 O ATOM 944 ND2 ASN A 564 -3.674 -20.539 7.054 1.00 22.11 N ATOM 0 H ASN A 564 -2.563 -17.259 7.363 1.00 0.35 H new ATOM 0 HA ASN A 564 -4.910 -16.302 6.121 1.00 21.13 H new ATOM 0 HB2 ASN A 564 -5.728 -18.638 6.359 1.00 21.11 H new ATOM 0 HB3 ASN A 564 -4.152 -18.514 5.602 1.00 21.11 H new ATOM 0 HD21 ASN A 564 -3.311 -21.265 7.672 1.00 22.11 H new ATOM 0 HD22 ASN A 564 -3.690 -20.689 6.045 1.00 22.11 H new ATOM 951 N ASP A 565 -4.967 -16.572 9.308 1.00 14.44 N ATOM 952 CA ASP A 565 -5.732 -16.367 10.523 1.00 64.33 C ATOM 953 C ASP A 565 -5.606 -14.924 11.013 1.00 72.50 C ATOM 954 O ASP A 565 -6.289 -14.503 11.945 1.00 33.23 O ATOM 955 CB ASP A 565 -5.226 -17.339 11.593 1.00 14.44 C ATOM 956 CG ASP A 565 -6.066 -17.347 12.838 1.00 44.31 C ATOM 957 OD1 ASP A 565 -7.150 -17.954 12.818 1.00 22.21 O ATOM 958 OD2 ASP A 565 -5.643 -16.786 13.878 1.00 2.32 O ATOM 0 H ASP A 565 -3.963 -16.666 9.458 1.00 14.44 H new ATOM 0 HA ASP A 565 -6.786 -16.555 10.320 1.00 64.33 H new ATOM 0 HB2 ASP A 565 -5.199 -18.345 11.175 1.00 14.44 H new ATOM 0 HB3 ASP A 565 -4.202 -17.076 11.857 1.00 14.44 H new ATOM 963 N GLU A 566 -4.778 -14.155 10.352 1.00 13.41 N ATOM 964 CA GLU A 566 -4.506 -12.807 10.793 1.00 22.11 C ATOM 965 C GLU A 566 -4.997 -11.805 9.774 1.00 72.41 C ATOM 966 O GLU A 566 -4.778 -11.976 8.579 1.00 42.54 O ATOM 967 CB GLU A 566 -3.012 -12.633 11.038 1.00 31.43 C ATOM 968 CG GLU A 566 -2.642 -11.283 11.600 1.00 43.34 C ATOM 969 CD GLU A 566 -1.208 -11.188 11.996 1.00 22.23 C ATOM 970 OE1 GLU A 566 -0.871 -11.541 13.164 1.00 40.12 O ATOM 971 OE2 GLU A 566 -0.392 -10.740 11.187 1.00 31.45 O ATOM 0 H GLU A 566 -4.280 -14.437 9.508 1.00 13.41 H new ATOM 0 HA GLU A 566 -5.039 -12.629 11.727 1.00 22.11 H new ATOM 0 HB2 GLU A 566 -2.673 -13.408 11.725 1.00 31.43 H new ATOM 0 HB3 GLU A 566 -2.479 -12.784 10.099 1.00 31.43 H new ATOM 0 HG2 GLU A 566 -2.859 -10.515 10.858 1.00 43.34 H new ATOM 0 HG3 GLU A 566 -3.267 -11.074 12.468 1.00 43.34 H new ATOM 978 N ILE A 567 -5.658 -10.773 10.231 1.00 32.31 N ATOM 979 CA ILE A 567 -6.160 -9.770 9.345 1.00 11.14 C ATOM 980 C ILE A 567 -5.459 -8.464 9.587 1.00 35.22 C ATOM 981 O ILE A 567 -4.851 -8.268 10.646 1.00 33.23 O ATOM 982 CB ILE A 567 -7.679 -9.517 9.484 1.00 51.11 C ATOM 983 CG1 ILE A 567 -8.009 -8.866 10.827 1.00 3.14 C ATOM 984 CG2 ILE A 567 -8.452 -10.814 9.329 1.00 1.24 C ATOM 985 CD1 ILE A 567 -9.280 -8.078 10.786 1.00 41.31 C ATOM 0 H ILE A 567 -5.859 -10.610 11.218 1.00 32.31 H new ATOM 0 HA ILE A 567 -5.971 -10.152 8.342 1.00 11.14 H new ATOM 0 HB ILE A 567 -7.976 -8.832 8.690 1.00 51.11 H new ATOM 0 HG12 ILE A 567 -8.089 -9.639 11.591 1.00 3.14 H new ATOM 0 HG13 ILE A 567 -7.189 -8.211 11.121 1.00 3.14 H new ATOM 0 HG21 ILE A 567 -9.519 -10.616 9.430 1.00 1.24 H new ATOM 0 HG22 ILE A 567 -8.254 -11.241 8.346 1.00 1.24 H new ATOM 0 HG23 ILE A 567 -8.139 -11.518 10.100 1.00 1.24 H new ATOM 0 HD11 ILE A 567 -9.467 -7.637 11.765 1.00 41.31 H new ATOM 0 HD12 ILE A 567 -9.193 -7.286 10.042 1.00 41.31 H new ATOM 0 HD13 ILE A 567 -10.108 -8.736 10.520 1.00 41.31 H new ATOM 997 N VAL A 568 -5.625 -7.574 8.615 1.00 43.41 N ATOM 998 CA VAL A 568 -5.088 -6.212 8.557 1.00 32.34 C ATOM 999 C VAL A 568 -3.556 -6.105 8.861 1.00 73.21 C ATOM 1000 O VAL A 568 -2.911 -7.048 9.319 1.00 43.45 O ATOM 1001 CB VAL A 568 -5.939 -5.219 9.423 1.00 14.25 C ATOM 1002 CG1 VAL A 568 -5.534 -5.171 10.894 1.00 42.14 C ATOM 1003 CG2 VAL A 568 -5.990 -3.844 8.804 1.00 25.50 C ATOM 0 H VAL A 568 -6.177 -7.797 7.787 1.00 43.41 H new ATOM 0 HA VAL A 568 -5.180 -5.909 7.514 1.00 32.34 H new ATOM 0 HB VAL A 568 -6.951 -5.624 9.421 1.00 14.25 H new ATOM 0 HG11 VAL A 568 -6.170 -4.461 11.423 1.00 42.14 H new ATOM 0 HG12 VAL A 568 -5.649 -6.161 11.336 1.00 42.14 H new ATOM 0 HG13 VAL A 568 -4.494 -4.856 10.975 1.00 42.14 H new ATOM 0 HG21 VAL A 568 -6.588 -3.184 9.432 1.00 25.50 H new ATOM 0 HG22 VAL A 568 -4.979 -3.446 8.719 1.00 25.50 H new ATOM 0 HG23 VAL A 568 -6.440 -3.908 7.813 1.00 25.50 H new ATOM 1013 N LYS A 569 -2.983 -4.983 8.547 1.00 73.12 N ATOM 1014 CA LYS A 569 -1.593 -4.731 8.825 1.00 34.52 C ATOM 1015 C LYS A 569 -1.422 -3.245 8.771 1.00 11.31 C ATOM 1016 O LYS A 569 -2.291 -2.558 8.209 1.00 43.24 O ATOM 1017 CB LYS A 569 -0.702 -5.386 7.753 1.00 11.41 C ATOM 1018 CG LYS A 569 0.762 -5.644 8.148 1.00 12.44 C ATOM 1019 CD LYS A 569 0.982 -6.958 8.936 1.00 14.10 C ATOM 1020 CE LYS A 569 0.302 -6.979 10.291 1.00 33.32 C ATOM 1021 NZ LYS A 569 0.541 -8.238 11.036 1.00 32.45 N ATOM 0 H LYS A 569 -3.465 -4.210 8.088 1.00 73.12 H new ATOM 0 HA LYS A 569 -1.308 -5.142 9.793 1.00 34.52 H new ATOM 0 HB2 LYS A 569 -1.152 -6.337 7.468 1.00 11.41 H new ATOM 0 HB3 LYS A 569 -0.710 -4.751 6.867 1.00 11.41 H new ATOM 0 HG2 LYS A 569 1.372 -5.668 7.245 1.00 12.44 H new ATOM 0 HG3 LYS A 569 1.117 -4.808 8.750 1.00 12.44 H new ATOM 0 HD2 LYS A 569 0.613 -7.794 8.341 1.00 14.10 H new ATOM 0 HD3 LYS A 569 2.052 -7.113 9.074 1.00 14.10 H new ATOM 0 HE2 LYS A 569 0.660 -6.138 10.885 1.00 33.32 H new ATOM 0 HE3 LYS A 569 -0.771 -6.841 10.156 1.00 33.32 H new ATOM 0 HZ1 LYS A 569 0.343 -8.087 12.046 1.00 32.45 H new ATOM 0 HZ2 LYS A 569 -0.085 -8.983 10.668 1.00 32.45 H new ATOM 0 HZ3 LYS A 569 1.532 -8.529 10.917 1.00 32.45 H new ATOM 1035 N THR A 570 -0.371 -2.740 9.351 1.00 25.13 N ATOM 1036 CA THR A 570 -0.098 -1.340 9.309 1.00 23.45 C ATOM 1037 C THR A 570 1.355 -1.081 8.965 1.00 33.42 C ATOM 1038 O THR A 570 2.256 -1.663 9.569 1.00 33.24 O ATOM 1039 CB THR A 570 -0.464 -0.615 10.638 1.00 2.43 C ATOM 1040 OG1 THR A 570 0.059 -1.314 11.779 1.00 15.45 O ATOM 1041 CG2 THR A 570 -1.964 -0.421 10.797 1.00 64.53 C ATOM 0 H THR A 570 0.317 -3.290 9.865 1.00 25.13 H new ATOM 0 HA THR A 570 -0.734 -0.928 8.526 1.00 23.45 H new ATOM 0 HB THR A 570 -0.001 0.370 10.584 1.00 2.43 H new ATOM 0 HG1 THR A 570 0.066 -0.715 12.554 1.00 15.45 H new ATOM 0 HG21 THR A 570 -2.167 0.089 11.739 1.00 64.53 H new ATOM 0 HG22 THR A 570 -2.343 0.180 9.970 1.00 64.53 H new ATOM 0 HG23 THR A 570 -2.459 -1.392 10.796 1.00 64.53 H new ATOM 1049 N ILE A 571 1.590 -0.262 7.969 1.00 70.14 N ATOM 1050 CA ILE A 571 2.945 0.149 7.669 1.00 14.13 C ATOM 1051 C ILE A 571 3.332 1.186 8.701 1.00 64.51 C ATOM 1052 O ILE A 571 2.594 2.135 8.917 1.00 30.31 O ATOM 1053 CB ILE A 571 3.145 0.751 6.219 1.00 5.32 C ATOM 1054 CG1 ILE A 571 2.940 -0.289 5.113 1.00 4.25 C ATOM 1055 CG2 ILE A 571 4.522 1.357 6.072 1.00 33.01 C ATOM 1056 CD1 ILE A 571 1.522 -0.707 4.901 1.00 42.02 C ATOM 0 H ILE A 571 0.873 0.130 7.358 1.00 70.14 H new ATOM 0 HA ILE A 571 3.575 -0.740 7.700 1.00 14.13 H new ATOM 0 HB ILE A 571 2.383 1.522 6.105 1.00 5.32 H new ATOM 0 HG12 ILE A 571 3.329 0.114 4.178 1.00 4.25 H new ATOM 0 HG13 ILE A 571 3.533 -1.172 5.350 1.00 4.25 H new ATOM 0 HG21 ILE A 571 4.635 1.764 5.067 1.00 33.01 H new ATOM 0 HG22 ILE A 571 4.648 2.156 6.803 1.00 33.01 H new ATOM 0 HG23 ILE A 571 5.277 0.589 6.240 1.00 33.01 H new ATOM 0 HD11 ILE A 571 1.476 -1.444 4.100 1.00 42.02 H new ATOM 0 HD12 ILE A 571 1.130 -1.144 5.819 1.00 42.02 H new ATOM 0 HD13 ILE A 571 0.923 0.162 4.629 1.00 42.02 H new ATOM 1068 N SER A 572 4.420 0.966 9.379 1.00 41.24 N ATOM 1069 CA SER A 572 4.875 1.887 10.375 1.00 25.13 C ATOM 1070 C SER A 572 5.978 2.779 9.809 1.00 43.45 C ATOM 1071 O SER A 572 7.089 2.311 9.521 1.00 51.01 O ATOM 1072 CB SER A 572 5.359 1.097 11.583 1.00 20.24 C ATOM 1073 OG SER A 572 4.315 0.232 12.032 1.00 72.11 O ATOM 0 H SER A 572 5.014 0.146 9.257 1.00 41.24 H new ATOM 0 HA SER A 572 4.059 2.541 10.684 1.00 25.13 H new ATOM 0 HB2 SER A 572 6.242 0.514 11.320 1.00 20.24 H new ATOM 0 HB3 SER A 572 5.652 1.777 12.383 1.00 20.24 H new ATOM 0 HG SER A 572 4.625 -0.279 12.809 1.00 72.11 H new ATOM 1079 N VAL A 573 5.655 4.039 9.608 1.00 60.51 N ATOM 1080 CA VAL A 573 6.611 4.999 9.087 1.00 0.53 C ATOM 1081 C VAL A 573 6.856 6.062 10.129 1.00 52.20 C ATOM 1082 O VAL A 573 5.910 6.730 10.573 1.00 71.13 O ATOM 1083 CB VAL A 573 6.109 5.697 7.793 1.00 53.40 C ATOM 1084 CG1 VAL A 573 7.179 6.611 7.198 1.00 63.13 C ATOM 1085 CG2 VAL A 573 5.627 4.691 6.767 1.00 0.24 C ATOM 0 H VAL A 573 4.731 4.427 9.799 1.00 60.51 H new ATOM 0 HA VAL A 573 7.522 4.451 8.846 1.00 0.53 H new ATOM 0 HB VAL A 573 5.258 6.318 8.075 1.00 53.40 H new ATOM 0 HG11 VAL A 573 6.793 7.082 6.294 1.00 63.13 H new ATOM 0 HG12 VAL A 573 7.445 7.380 7.923 1.00 63.13 H new ATOM 0 HG13 VAL A 573 8.063 6.023 6.952 1.00 63.13 H new ATOM 0 HG21 VAL A 573 5.284 5.216 5.876 1.00 0.24 H new ATOM 0 HG22 VAL A 573 6.445 4.022 6.501 1.00 0.24 H new ATOM 0 HG23 VAL A 573 4.805 4.110 7.185 1.00 0.24 H new ATOM 1095 N LYS A 574 8.083 6.190 10.550 1.00 52.14 N ATOM 1096 CA LYS A 574 8.446 7.196 11.490 1.00 74.12 C ATOM 1097 C LYS A 574 8.669 8.531 10.798 1.00 44.12 C ATOM 1098 O LYS A 574 9.426 8.635 9.818 1.00 21.44 O ATOM 1099 CB LYS A 574 9.670 6.754 12.287 1.00 75.23 C ATOM 1100 CG LYS A 574 10.196 7.780 13.271 1.00 32.35 C ATOM 1101 CD LYS A 574 11.251 7.188 14.183 1.00 33.31 C ATOM 1102 CE LYS A 574 12.456 6.686 13.408 1.00 15.40 C ATOM 1103 NZ LYS A 574 13.537 6.210 14.285 1.00 12.40 N ATOM 0 H LYS A 574 8.855 5.596 10.247 1.00 52.14 H new ATOM 0 HA LYS A 574 7.624 7.336 12.192 1.00 74.12 H new ATOM 0 HB2 LYS A 574 9.421 5.844 12.832 1.00 75.23 H new ATOM 0 HB3 LYS A 574 10.467 6.499 11.589 1.00 75.23 H new ATOM 0 HG2 LYS A 574 10.618 8.625 12.726 1.00 32.35 H new ATOM 0 HG3 LYS A 574 9.372 8.167 13.870 1.00 32.35 H new ATOM 0 HD2 LYS A 574 11.571 7.941 14.903 1.00 33.31 H new ATOM 0 HD3 LYS A 574 10.818 6.366 14.752 1.00 33.31 H new ATOM 0 HE2 LYS A 574 12.146 5.876 12.747 1.00 15.40 H new ATOM 0 HE3 LYS A 574 12.835 7.488 12.774 1.00 15.40 H new ATOM 0 HZ1 LYS A 574 14.334 5.879 13.705 1.00 12.40 H new ATOM 0 HZ2 LYS A 574 13.854 6.988 14.898 1.00 12.40 H new ATOM 0 HZ3 LYS A 574 13.188 5.426 14.873 1.00 12.40 H new ATOM 1117 N VAL A 575 7.989 9.523 11.289 1.00 31.22 N ATOM 1118 CA VAL A 575 8.095 10.864 10.787 1.00 30.40 C ATOM 1119 C VAL A 575 9.171 11.581 11.587 1.00 35.33 C ATOM 1120 O VAL A 575 9.231 11.450 12.821 1.00 42.21 O ATOM 1121 CB VAL A 575 6.732 11.607 10.908 1.00 55.00 C ATOM 1122 CG1 VAL A 575 6.830 13.045 10.400 1.00 40.01 C ATOM 1123 CG2 VAL A 575 5.652 10.853 10.136 1.00 13.03 C ATOM 0 H VAL A 575 7.333 9.424 12.063 1.00 31.22 H new ATOM 0 HA VAL A 575 8.363 10.848 9.730 1.00 30.40 H new ATOM 0 HB VAL A 575 6.464 11.642 11.964 1.00 55.00 H new ATOM 0 HG11 VAL A 575 5.860 13.533 10.500 1.00 40.01 H new ATOM 0 HG12 VAL A 575 7.571 13.588 10.986 1.00 40.01 H new ATOM 0 HG13 VAL A 575 7.128 13.041 9.352 1.00 40.01 H new ATOM 0 HG21 VAL A 575 4.703 11.382 10.228 1.00 13.03 H new ATOM 0 HG22 VAL A 575 5.933 10.791 9.085 1.00 13.03 H new ATOM 0 HG23 VAL A 575 5.548 9.848 10.544 1.00 13.03 H new ATOM 1133 N ILE A 576 10.031 12.290 10.908 1.00 55.40 N ATOM 1134 CA ILE A 576 11.129 12.961 11.556 1.00 61.11 C ATOM 1135 C ILE A 576 10.800 14.450 11.590 1.00 22.12 C ATOM 1136 O ILE A 576 9.929 14.921 10.839 1.00 72.13 O ATOM 1137 CB ILE A 576 12.483 12.734 10.781 1.00 64.44 C ATOM 1138 CG1 ILE A 576 12.671 11.250 10.411 1.00 54.11 C ATOM 1139 CG2 ILE A 576 13.692 13.213 11.598 1.00 0.44 C ATOM 1140 CD1 ILE A 576 12.772 10.300 11.566 1.00 11.12 C ATOM 0 H ILE A 576 9.993 12.420 9.897 1.00 55.40 H new ATOM 0 HA ILE A 576 11.259 12.560 12.561 1.00 61.11 H new ATOM 0 HB ILE A 576 12.424 13.325 9.867 1.00 64.44 H new ATOM 0 HG12 ILE A 576 11.835 10.942 9.783 1.00 54.11 H new ATOM 0 HG13 ILE A 576 13.574 11.157 9.807 1.00 54.11 H new ATOM 0 HG21 ILE A 576 14.606 13.040 11.030 1.00 0.44 H new ATOM 0 HG22 ILE A 576 13.591 14.278 11.807 1.00 0.44 H new ATOM 0 HG23 ILE A 576 13.738 12.662 12.537 1.00 0.44 H new ATOM 0 HD11 ILE A 576 12.902 9.285 11.192 1.00 11.12 H new ATOM 0 HD12 ILE A 576 13.627 10.571 12.186 1.00 11.12 H new ATOM 0 HD13 ILE A 576 11.861 10.353 12.161 1.00 11.12 H new ATOM 1152 N ASP A 577 11.448 15.167 12.466 1.00 12.10 N ATOM 1153 CA ASP A 577 11.260 16.605 12.562 1.00 64.44 C ATOM 1154 C ASP A 577 11.832 17.291 11.329 1.00 62.43 C ATOM 1155 O ASP A 577 12.953 16.981 10.895 1.00 21.21 O ATOM 1156 CB ASP A 577 11.844 17.210 13.874 1.00 50.34 C ATOM 1157 CG ASP A 577 13.338 17.020 14.068 1.00 63.14 C ATOM 1158 OD1 ASP A 577 13.753 15.931 14.545 1.00 1.13 O ATOM 1159 OD2 ASP A 577 14.125 17.964 13.804 1.00 13.45 O ATOM 0 H ASP A 577 12.118 14.784 13.133 1.00 12.10 H new ATOM 0 HA ASP A 577 10.186 16.789 12.603 1.00 64.44 H new ATOM 0 HB2 ASP A 577 11.625 18.278 13.891 1.00 50.34 H new ATOM 0 HB3 ASP A 577 11.325 16.765 14.723 1.00 50.34 H new ATOM 1164 N ASP A 578 11.040 18.196 10.744 1.00 5.11 N ATOM 1165 CA ASP A 578 11.441 18.903 9.529 1.00 41.30 C ATOM 1166 C ASP A 578 12.657 19.733 9.759 1.00 45.10 C ATOM 1167 O ASP A 578 12.728 20.538 10.691 1.00 21.23 O ATOM 1168 CB ASP A 578 10.332 19.767 8.910 1.00 54.11 C ATOM 1169 CG ASP A 578 9.703 19.159 7.655 1.00 33.31 C ATOM 1170 OD1 ASP A 578 10.447 18.523 6.829 1.00 64.24 O ATOM 1171 OD2 ASP A 578 8.430 19.314 7.440 1.00 43.22 O ATOM 0 H ASP A 578 10.118 18.454 11.095 1.00 5.11 H new ATOM 0 HA ASP A 578 11.664 18.116 8.808 1.00 41.30 H new ATOM 0 HB2 ASP A 578 9.552 19.928 9.654 1.00 54.11 H new ATOM 0 HB3 ASP A 578 10.743 20.746 8.662 1.00 54.11 H new ATOM 1176 N GLU A 579 13.586 19.540 8.907 1.00 23.32 N ATOM 1177 CA GLU A 579 14.888 20.139 8.962 1.00 13.31 C ATOM 1178 C GLU A 579 15.041 21.347 8.029 1.00 33.30 C ATOM 1179 O GLU A 579 16.102 21.977 7.995 1.00 0.13 O ATOM 1180 CB GLU A 579 15.957 19.072 8.640 1.00 54.21 C ATOM 1181 CG GLU A 579 15.444 17.770 7.956 1.00 41.33 C ATOM 1182 CD GLU A 579 14.719 17.969 6.632 1.00 44.20 C ATOM 1183 OE1 GLU A 579 15.378 18.029 5.580 1.00 73.11 O ATOM 1184 OE2 GLU A 579 13.435 18.063 6.632 1.00 60.20 O ATOM 0 H GLU A 579 13.466 18.927 8.101 1.00 23.32 H new ATOM 0 HA GLU A 579 15.025 20.519 9.974 1.00 13.31 H new ATOM 0 HB2 GLU A 579 16.709 19.525 7.994 1.00 54.21 H new ATOM 0 HB3 GLU A 579 16.457 18.797 9.569 1.00 54.21 H new ATOM 0 HG2 GLU A 579 16.294 17.108 7.789 1.00 41.33 H new ATOM 0 HG3 GLU A 579 14.772 17.258 8.645 1.00 41.33 H new ATOM 1191 N GLU A 580 14.018 21.682 7.298 1.00 13.25 N ATOM 1192 CA GLU A 580 14.112 22.763 6.344 1.00 55.11 C ATOM 1193 C GLU A 580 12.860 23.642 6.397 1.00 43.24 C ATOM 1194 O GLU A 580 11.999 23.460 7.270 1.00 0.34 O ATOM 1195 CB GLU A 580 14.306 22.201 4.907 1.00 64.41 C ATOM 1196 CG GLU A 580 13.056 21.581 4.235 1.00 31.03 C ATOM 1197 CD GLU A 580 12.494 20.335 4.886 1.00 63.25 C ATOM 1198 OE1 GLU A 580 12.137 20.302 6.036 1.00 0.24 O ATOM 1199 OE2 GLU A 580 12.349 19.309 4.265 1.00 11.51 O ATOM 0 H GLU A 580 13.107 21.226 7.340 1.00 13.25 H new ATOM 0 HA GLU A 580 14.977 23.373 6.605 1.00 55.11 H new ATOM 0 HB2 GLU A 580 14.671 23.008 4.271 1.00 64.41 H new ATOM 0 HB3 GLU A 580 15.088 21.442 4.940 1.00 64.41 H new ATOM 0 HG2 GLU A 580 12.271 22.337 4.208 1.00 31.03 H new ATOM 0 HG3 GLU A 580 13.305 21.344 3.201 1.00 31.03 H new ATOM 1206 N TYR A 581 12.796 24.605 5.487 1.00 32.45 N ATOM 1207 CA TYR A 581 11.633 25.460 5.301 1.00 33.24 C ATOM 1208 C TYR A 581 10.458 24.595 4.802 1.00 20.10 C ATOM 1209 O TYR A 581 10.668 23.549 4.174 1.00 52.51 O ATOM 1210 CB TYR A 581 11.925 26.598 4.286 1.00 13.51 C ATOM 1211 CG TYR A 581 12.058 26.127 2.848 1.00 0.42 C ATOM 1212 CD1 TYR A 581 10.926 25.922 2.081 1.00 5.42 C ATOM 1213 CD2 TYR A 581 13.289 25.863 2.276 1.00 61.12 C ATOM 1214 CE1 TYR A 581 10.995 25.471 0.812 1.00 71.11 C ATOM 1215 CE2 TYR A 581 13.375 25.410 0.975 1.00 3.54 C ATOM 1216 CZ TYR A 581 12.220 25.217 0.247 1.00 1.14 C ATOM 1217 OH TYR A 581 12.292 24.755 -1.051 1.00 71.23 O ATOM 0 H TYR A 581 13.563 24.817 4.848 1.00 32.45 H new ATOM 0 HA TYR A 581 11.381 25.926 6.254 1.00 33.24 H new ATOM 0 HB2 TYR A 581 11.124 27.335 4.343 1.00 13.51 H new ATOM 0 HB3 TYR A 581 12.845 27.104 4.578 1.00 13.51 H new ATOM 0 HD1 TYR A 581 9.957 26.129 2.511 1.00 5.42 H new ATOM 0 HD2 TYR A 581 14.190 26.012 2.852 1.00 61.12 H new ATOM 0 HE1 TYR A 581 10.091 25.310 0.243 1.00 71.11 H new ATOM 0 HE2 TYR A 581 14.339 25.208 0.531 1.00 3.54 H new ATOM 0 HH TYR A 581 13.231 24.626 -1.301 1.00 71.23 H new ATOM 1227 N GLU A 582 9.261 25.010 5.051 1.00 54.01 N ATOM 1228 CA GLU A 582 8.128 24.204 4.670 1.00 63.24 C ATOM 1229 C GLU A 582 7.649 24.406 3.250 1.00 60.52 C ATOM 1230 O GLU A 582 7.786 25.481 2.651 1.00 74.03 O ATOM 1231 CB GLU A 582 6.991 24.377 5.631 1.00 72.03 C ATOM 1232 CG GLU A 582 7.308 23.919 7.018 1.00 44.32 C ATOM 1233 CD GLU A 582 7.568 22.436 7.101 1.00 11.34 C ATOM 1234 OE1 GLU A 582 6.970 21.631 6.379 1.00 4.10 O ATOM 1235 OE2 GLU A 582 8.214 21.971 8.014 1.00 2.24 O ATOM 0 H GLU A 582 9.033 25.891 5.511 1.00 54.01 H new ATOM 0 HA GLU A 582 8.495 23.179 4.713 1.00 63.24 H new ATOM 0 HB2 GLU A 582 6.707 25.429 5.660 1.00 72.03 H new ATOM 0 HB3 GLU A 582 6.127 23.824 5.263 1.00 72.03 H new ATOM 0 HG2 GLU A 582 8.183 24.457 7.382 1.00 44.32 H new ATOM 0 HG3 GLU A 582 6.479 24.175 7.678 1.00 44.32 H new ATOM 1242 N LYS A 583 7.068 23.345 2.755 1.00 64.52 N ATOM 1243 CA LYS A 583 6.448 23.228 1.468 1.00 44.04 C ATOM 1244 C LYS A 583 5.477 22.072 1.587 1.00 73.15 C ATOM 1245 O LYS A 583 5.468 21.394 2.639 1.00 54.23 O ATOM 1246 CB LYS A 583 7.488 22.933 0.369 1.00 43.51 C ATOM 1247 CG LYS A 583 8.379 21.726 0.640 1.00 13.21 C ATOM 1248 CD LYS A 583 9.181 21.320 -0.594 1.00 75.34 C ATOM 1249 CE LYS A 583 10.034 22.462 -1.151 1.00 24.25 C ATOM 1250 NZ LYS A 583 10.893 22.023 -2.279 1.00 61.33 N ATOM 0 H LYS A 583 7.014 22.475 3.285 1.00 64.52 H new ATOM 0 HA LYS A 583 5.952 24.157 1.187 1.00 44.04 H new ATOM 0 HB2 LYS A 583 6.965 22.776 -0.574 1.00 43.51 H new ATOM 0 HB3 LYS A 583 8.120 23.812 0.241 1.00 43.51 H new ATOM 0 HG2 LYS A 583 9.063 21.956 1.457 1.00 13.21 H new ATOM 0 HG3 LYS A 583 7.764 20.887 0.965 1.00 13.21 H new ATOM 0 HD2 LYS A 583 9.828 20.480 -0.341 1.00 75.34 H new ATOM 0 HD3 LYS A 583 8.497 20.973 -1.368 1.00 75.34 H new ATOM 0 HE2 LYS A 583 9.383 23.269 -1.486 1.00 24.25 H new ATOM 0 HE3 LYS A 583 10.660 22.866 -0.356 1.00 24.25 H new ATOM 0 HZ1 LYS A 583 11.452 22.829 -2.624 1.00 61.33 H new ATOM 0 HZ2 LYS A 583 11.534 21.270 -1.955 1.00 61.33 H new ATOM 0 HZ3 LYS A 583 10.296 21.661 -3.050 1.00 61.33 H new ATOM 1264 N ASN A 584 4.666 21.837 0.588 1.00 3.31 N ATOM 1265 CA ASN A 584 3.774 20.683 0.623 1.00 34.10 C ATOM 1266 C ASN A 584 4.590 19.479 0.214 1.00 50.14 C ATOM 1267 O ASN A 584 4.855 19.251 -0.968 1.00 12.24 O ATOM 1268 CB ASN A 584 2.538 20.867 -0.292 1.00 75.13 C ATOM 1269 CG ASN A 584 1.491 19.743 -0.183 1.00 33.55 C ATOM 1270 OD1 ASN A 584 1.800 18.574 0.069 1.00 53.44 O ATOM 1271 ND2 ASN A 584 0.242 20.089 -0.385 1.00 2.12 N ATOM 0 H ASN A 584 4.597 22.412 -0.251 1.00 3.31 H new ATOM 0 HA ASN A 584 3.373 20.555 1.628 1.00 34.10 H new ATOM 0 HB2 ASN A 584 2.060 21.816 -0.050 1.00 75.13 H new ATOM 0 HB3 ASN A 584 2.874 20.934 -1.327 1.00 75.13 H new ATOM 0 HD21 ASN A 584 -0.496 19.387 -0.335 1.00 2.12 H new ATOM 0 HD22 ASN A 584 0.009 21.060 -0.592 1.00 2.12 H new ATOM 1278 N LYS A 585 5.047 18.760 1.191 1.00 12.32 N ATOM 1279 CA LYS A 585 5.903 17.652 0.980 1.00 25.45 C ATOM 1280 C LYS A 585 5.211 16.374 1.370 1.00 23.23 C ATOM 1281 O LYS A 585 4.528 16.309 2.402 1.00 63.42 O ATOM 1282 CB LYS A 585 7.282 17.915 1.658 1.00 41.04 C ATOM 1283 CG LYS A 585 8.086 16.708 2.131 1.00 4.01 C ATOM 1284 CD LYS A 585 7.721 16.306 3.565 1.00 71.12 C ATOM 1285 CE LYS A 585 8.026 17.440 4.560 1.00 33.33 C ATOM 1286 NZ LYS A 585 8.006 16.986 5.971 1.00 33.43 N ATOM 0 H LYS A 585 4.828 18.936 2.172 1.00 12.32 H new ATOM 0 HA LYS A 585 6.129 17.524 -0.079 1.00 25.45 H new ATOM 0 HB2 LYS A 585 7.900 18.473 0.955 1.00 41.04 H new ATOM 0 HB3 LYS A 585 7.114 18.563 2.518 1.00 41.04 H new ATOM 0 HG2 LYS A 585 7.907 15.867 1.461 1.00 4.01 H new ATOM 0 HG3 LYS A 585 9.150 16.937 2.078 1.00 4.01 H new ATOM 0 HD2 LYS A 585 6.662 16.051 3.615 1.00 71.12 H new ATOM 0 HD3 LYS A 585 8.278 15.413 3.847 1.00 71.12 H new ATOM 0 HE2 LYS A 585 9.005 17.863 4.333 1.00 33.33 H new ATOM 0 HE3 LYS A 585 7.295 18.238 4.429 1.00 33.33 H new ATOM 0 HZ1 LYS A 585 7.894 17.808 6.599 1.00 33.43 H new ATOM 0 HZ2 LYS A 585 7.211 16.331 6.114 1.00 33.43 H new ATOM 0 HZ3 LYS A 585 8.899 16.500 6.192 1.00 33.43 H new ATOM 1300 N THR A 586 5.361 15.383 0.531 1.00 25.44 N ATOM 1301 CA THR A 586 4.681 14.144 0.675 1.00 10.23 C ATOM 1302 C THR A 586 5.496 13.019 0.072 1.00 54.41 C ATOM 1303 O THR A 586 6.260 13.225 -0.890 1.00 21.41 O ATOM 1304 CB THR A 586 3.253 14.241 0.030 1.00 4.11 C ATOM 1305 OG1 THR A 586 2.592 12.986 0.027 1.00 11.41 O ATOM 1306 CG2 THR A 586 3.288 14.786 -1.384 1.00 75.41 C ATOM 0 H THR A 586 5.973 15.426 -0.284 1.00 25.44 H new ATOM 0 HA THR A 586 4.556 13.922 1.735 1.00 10.23 H new ATOM 0 HB THR A 586 2.697 14.940 0.654 1.00 4.11 H new ATOM 0 HG1 THR A 586 2.858 12.474 0.820 1.00 11.41 H new ATOM 0 HG21 THR A 586 2.274 14.832 -1.782 1.00 75.41 H new ATOM 0 HG22 THR A 586 3.721 15.786 -1.378 1.00 75.41 H new ATOM 0 HG23 THR A 586 3.894 14.132 -2.011 1.00 75.41 H new ATOM 1314 N PHE A 587 5.372 11.873 0.680 1.00 53.13 N ATOM 1315 CA PHE A 587 6.014 10.673 0.251 1.00 52.43 C ATOM 1316 C PHE A 587 4.979 9.612 -0.012 1.00 24.41 C ATOM 1317 O PHE A 587 3.868 9.669 0.533 1.00 23.52 O ATOM 1318 CB PHE A 587 7.110 10.203 1.234 1.00 63.31 C ATOM 1319 CG PHE A 587 6.847 10.416 2.713 1.00 64.13 C ATOM 1320 CD1 PHE A 587 5.974 9.613 3.446 1.00 10.33 C ATOM 1321 CD2 PHE A 587 7.532 11.410 3.377 1.00 21.01 C ATOM 1322 CE1 PHE A 587 5.808 9.819 4.807 1.00 4.00 C ATOM 1323 CE2 PHE A 587 7.358 11.615 4.723 1.00 11.32 C ATOM 1324 CZ PHE A 587 6.498 10.817 5.440 1.00 23.11 C ATOM 0 H PHE A 587 4.801 11.750 1.516 1.00 53.13 H new ATOM 0 HA PHE A 587 6.538 10.879 -0.682 1.00 52.43 H new ATOM 0 HB2 PHE A 587 7.278 9.139 1.070 1.00 63.31 H new ATOM 0 HB3 PHE A 587 8.037 10.716 0.978 1.00 63.31 H new ATOM 0 HD1 PHE A 587 5.424 8.826 2.951 1.00 10.33 H new ATOM 0 HD2 PHE A 587 8.218 12.039 2.829 1.00 21.01 H new ATOM 0 HE1 PHE A 587 5.133 9.191 5.369 1.00 4.00 H new ATOM 0 HE2 PHE A 587 7.899 12.406 5.221 1.00 11.32 H new ATOM 0 HZ PHE A 587 6.367 10.977 6.500 1.00 23.11 H new ATOM 1334 N PHE A 588 5.320 8.672 -0.843 1.00 61.35 N ATOM 1335 CA PHE A 588 4.382 7.662 -1.266 1.00 0.41 C ATOM 1336 C PHE A 588 4.774 6.325 -0.681 1.00 22.31 C ATOM 1337 O PHE A 588 5.959 6.051 -0.497 1.00 41.02 O ATOM 1338 CB PHE A 588 4.368 7.577 -2.798 1.00 71.34 C ATOM 1339 CG PHE A 588 4.248 8.911 -3.474 1.00 45.41 C ATOM 1340 CD1 PHE A 588 3.038 9.576 -3.532 1.00 42.45 C ATOM 1341 CD2 PHE A 588 5.353 9.493 -4.054 1.00 0.12 C ATOM 1342 CE1 PHE A 588 2.937 10.803 -4.157 1.00 10.31 C ATOM 1343 CE2 PHE A 588 5.260 10.715 -4.677 1.00 15.13 C ATOM 1344 CZ PHE A 588 4.052 11.372 -4.729 1.00 63.23 C ATOM 0 H PHE A 588 6.251 8.579 -1.248 1.00 61.35 H new ATOM 0 HA PHE A 588 3.385 7.927 -0.914 1.00 0.41 H new ATOM 0 HB2 PHE A 588 5.283 7.090 -3.135 1.00 71.34 H new ATOM 0 HB3 PHE A 588 3.537 6.945 -3.111 1.00 71.34 H new ATOM 0 HD1 PHE A 588 2.162 9.131 -3.084 1.00 42.45 H new ATOM 0 HD2 PHE A 588 6.304 8.983 -4.019 1.00 0.12 H new ATOM 0 HE1 PHE A 588 1.987 11.314 -4.197 1.00 10.31 H new ATOM 0 HE2 PHE A 588 6.136 11.160 -5.126 1.00 15.13 H new ATOM 0 HZ PHE A 588 3.979 12.332 -5.218 1.00 63.23 H new ATOM 1354 N LEU A 589 3.809 5.516 -0.359 1.00 61.20 N ATOM 1355 CA LEU A 589 4.080 4.187 0.141 1.00 25.40 C ATOM 1356 C LEU A 589 3.511 3.221 -0.876 1.00 14.12 C ATOM 1357 O LEU A 589 2.315 3.256 -1.175 1.00 44.31 O ATOM 1358 CB LEU A 589 3.417 3.978 1.523 1.00 73.33 C ATOM 1359 CG LEU A 589 3.978 2.869 2.455 1.00 61.44 C ATOM 1360 CD1 LEU A 589 3.921 1.479 1.853 1.00 73.15 C ATOM 1361 CD2 LEU A 589 5.373 3.203 2.888 1.00 65.32 C ATOM 0 H LEU A 589 2.819 5.748 -0.432 1.00 61.20 H new ATOM 0 HA LEU A 589 5.150 4.029 0.275 1.00 25.40 H new ATOM 0 HB2 LEU A 589 3.471 4.923 2.063 1.00 73.33 H new ATOM 0 HB3 LEU A 589 2.361 3.767 1.355 1.00 73.33 H new ATOM 0 HG LEU A 589 3.323 2.845 3.326 1.00 61.44 H new ATOM 0 HD11 LEU A 589 4.330 0.759 2.562 1.00 73.15 H new ATOM 0 HD12 LEU A 589 2.886 1.221 1.630 1.00 73.15 H new ATOM 0 HD13 LEU A 589 4.507 1.456 0.934 1.00 73.15 H new ATOM 0 HD21 LEU A 589 5.750 2.415 3.540 1.00 65.32 H new ATOM 0 HD22 LEU A 589 6.016 3.287 2.012 1.00 65.32 H new ATOM 0 HD23 LEU A 589 5.370 4.150 3.428 1.00 65.32 H new ATOM 1373 N GLU A 590 4.344 2.407 -1.434 1.00 33.22 N ATOM 1374 CA GLU A 590 3.920 1.475 -2.441 1.00 2.24 C ATOM 1375 C GLU A 590 4.332 0.087 -2.024 1.00 41.42 C ATOM 1376 O GLU A 590 5.430 -0.104 -1.471 1.00 14.23 O ATOM 1377 CB GLU A 590 4.560 1.844 -3.781 1.00 34.43 C ATOM 1378 CG GLU A 590 4.147 0.974 -4.955 1.00 43.51 C ATOM 1379 CD GLU A 590 4.827 1.393 -6.226 1.00 21.51 C ATOM 1380 OE1 GLU A 590 5.977 0.982 -6.465 1.00 14.42 O ATOM 1381 OE2 GLU A 590 4.239 2.168 -7.006 1.00 60.33 O ATOM 0 H GLU A 590 5.338 2.364 -1.209 1.00 33.22 H new ATOM 0 HA GLU A 590 2.836 1.509 -2.553 1.00 2.24 H new ATOM 0 HB2 GLU A 590 4.311 2.880 -4.012 1.00 34.43 H new ATOM 0 HB3 GLU A 590 5.644 1.793 -3.675 1.00 34.43 H new ATOM 0 HG2 GLU A 590 4.389 -0.067 -4.739 1.00 43.51 H new ATOM 0 HG3 GLU A 590 3.066 1.029 -5.086 1.00 43.51 H new ATOM 1388 N ILE A 591 3.457 -0.854 -2.236 1.00 70.22 N ATOM 1389 CA ILE A 591 3.738 -2.227 -1.951 1.00 63.32 C ATOM 1390 C ILE A 591 4.014 -2.941 -3.255 1.00 51.11 C ATOM 1391 O ILE A 591 3.521 -2.520 -4.317 1.00 63.33 O ATOM 1392 CB ILE A 591 2.573 -2.922 -1.186 1.00 22.45 C ATOM 1393 CG1 ILE A 591 1.258 -2.867 -1.984 1.00 71.03 C ATOM 1394 CG2 ILE A 591 2.391 -2.297 0.193 1.00 14.23 C ATOM 1395 CD1 ILE A 591 0.091 -3.525 -1.280 1.00 63.10 C ATOM 0 H ILE A 591 2.524 -0.687 -2.614 1.00 70.22 H new ATOM 0 HA ILE A 591 4.610 -2.275 -1.298 1.00 63.32 H new ATOM 0 HB ILE A 591 2.839 -3.972 -1.062 1.00 22.45 H new ATOM 0 HG12 ILE A 591 1.009 -1.825 -2.185 1.00 71.03 H new ATOM 0 HG13 ILE A 591 1.408 -3.351 -2.949 1.00 71.03 H new ATOM 0 HG21 ILE A 591 1.573 -2.795 0.713 1.00 14.23 H new ATOM 0 HG22 ILE A 591 3.310 -2.411 0.768 1.00 14.23 H new ATOM 0 HG23 ILE A 591 2.160 -1.237 0.085 1.00 14.23 H new ATOM 0 HD11 ILE A 591 -0.800 -3.447 -1.902 1.00 63.10 H new ATOM 0 HD12 ILE A 591 0.319 -4.576 -1.103 1.00 63.10 H new ATOM 0 HD13 ILE A 591 -0.087 -3.027 -0.327 1.00 63.10 H new ATOM 1407 N GLY A 592 4.814 -3.958 -3.195 1.00 64.14 N ATOM 1408 CA GLY A 592 5.136 -4.703 -4.369 1.00 1.32 C ATOM 1409 C GLY A 592 4.222 -5.877 -4.522 1.00 44.44 C ATOM 1410 O GLY A 592 3.065 -5.833 -4.080 1.00 61.41 O ATOM 0 H GLY A 592 5.258 -4.292 -2.340 1.00 64.14 H new ATOM 0 HA2 GLY A 592 5.059 -4.060 -5.246 1.00 1.32 H new ATOM 0 HA3 GLY A 592 6.169 -5.046 -4.315 1.00 1.32 H new ATOM 1414 N GLU A 593 4.712 -6.922 -5.122 1.00 3.31 N ATOM 1415 CA GLU A 593 3.918 -8.101 -5.292 1.00 0.13 C ATOM 1416 C GLU A 593 4.054 -8.962 -4.041 1.00 20.33 C ATOM 1417 O GLU A 593 5.174 -9.332 -3.668 1.00 65.02 O ATOM 1418 CB GLU A 593 4.359 -8.890 -6.526 1.00 23.24 C ATOM 1419 CG GLU A 593 3.445 -10.059 -6.848 1.00 10.32 C ATOM 1420 CD GLU A 593 3.946 -10.896 -7.985 1.00 73.53 C ATOM 1421 OE1 GLU A 593 3.693 -10.547 -9.156 1.00 61.40 O ATOM 1422 OE2 GLU A 593 4.614 -11.936 -7.724 1.00 24.20 O ATOM 0 H GLU A 593 5.657 -6.981 -5.501 1.00 3.31 H new ATOM 0 HA GLU A 593 2.877 -7.814 -5.440 1.00 0.13 H new ATOM 0 HB2 GLU A 593 4.396 -8.219 -7.384 1.00 23.24 H new ATOM 0 HB3 GLU A 593 5.372 -9.262 -6.369 1.00 23.24 H new ATOM 0 HG2 GLU A 593 3.339 -10.685 -5.962 1.00 10.32 H new ATOM 0 HG3 GLU A 593 2.452 -9.681 -7.092 1.00 10.32 H new ATOM 1429 N PRO A 594 2.938 -9.235 -3.334 1.00 51.33 N ATOM 1430 CA PRO A 594 2.952 -10.087 -2.154 1.00 50.21 C ATOM 1431 C PRO A 594 3.510 -11.473 -2.480 1.00 73.44 C ATOM 1432 O PRO A 594 3.352 -11.982 -3.586 1.00 13.53 O ATOM 1433 CB PRO A 594 1.479 -10.165 -1.727 1.00 40.23 C ATOM 1434 CG PRO A 594 0.706 -9.682 -2.899 1.00 44.11 C ATOM 1435 CD PRO A 594 1.592 -8.731 -3.633 1.00 72.20 C ATOM 0 HA PRO A 594 3.592 -9.693 -1.364 1.00 50.21 H new ATOM 0 HB2 PRO A 594 1.199 -11.185 -1.464 1.00 40.23 H new ATOM 0 HB3 PRO A 594 1.290 -9.547 -0.849 1.00 40.23 H new ATOM 0 HG2 PRO A 594 0.415 -10.514 -3.540 1.00 44.11 H new ATOM 0 HG3 PRO A 594 -0.212 -9.189 -2.581 1.00 44.11 H new ATOM 0 HD2 PRO A 594 1.388 -8.735 -4.704 1.00 72.20 H new ATOM 0 HD3 PRO A 594 1.459 -7.706 -3.287 1.00 72.20 H new ATOM 1443 N ARG A 595 4.137 -12.082 -1.530 1.00 63.04 N ATOM 1444 CA ARG A 595 4.819 -13.311 -1.769 1.00 65.33 C ATOM 1445 C ARG A 595 4.395 -14.352 -0.757 1.00 53.01 C ATOM 1446 O ARG A 595 4.303 -14.070 0.437 1.00 31.13 O ATOM 1447 CB ARG A 595 6.349 -13.069 -1.799 1.00 11.12 C ATOM 1448 CG ARG A 595 6.909 -12.464 -0.522 1.00 13.44 C ATOM 1449 CD ARG A 595 8.313 -11.892 -0.703 1.00 72.05 C ATOM 1450 NE ARG A 595 9.290 -12.880 -1.170 1.00 63.20 N ATOM 1451 CZ ARG A 595 10.524 -13.041 -0.657 1.00 52.05 C ATOM 1452 NH1 ARG A 595 10.912 -12.351 0.426 1.00 2.20 N ATOM 1453 NH2 ARG A 595 11.371 -13.902 -1.223 1.00 14.23 N ATOM 0 H ARG A 595 4.192 -11.744 -0.569 1.00 63.04 H new ATOM 0 HA ARG A 595 4.545 -13.706 -2.747 1.00 65.33 H new ATOM 0 HB2 ARG A 595 6.852 -14.017 -1.990 1.00 11.12 H new ATOM 0 HB3 ARG A 595 6.585 -12.410 -2.634 1.00 11.12 H new ATOM 0 HG2 ARG A 595 6.242 -11.674 -0.177 1.00 13.44 H new ATOM 0 HG3 ARG A 595 6.930 -13.226 0.257 1.00 13.44 H new ATOM 0 HD2 ARG A 595 8.272 -11.068 -1.415 1.00 72.05 H new ATOM 0 HD3 ARG A 595 8.653 -11.477 0.246 1.00 72.05 H new ATOM 0 HE ARG A 595 9.015 -13.490 -1.940 1.00 63.20 H new ATOM 0 HH11 ARG A 595 10.269 -11.695 0.870 1.00 2.20 H new ATOM 0 HH12 ARG A 595 11.850 -12.482 0.805 1.00 2.20 H new ATOM 0 HH21 ARG A 595 11.083 -14.437 -2.043 1.00 14.23 H new ATOM 0 HH22 ARG A 595 12.307 -14.026 -0.836 1.00 14.23 H new ATOM 1467 N LEU A 596 4.089 -15.527 -1.237 1.00 60.21 N ATOM 1468 CA LEU A 596 3.613 -16.601 -0.393 1.00 14.22 C ATOM 1469 C LEU A 596 4.818 -17.187 0.334 1.00 53.31 C ATOM 1470 O LEU A 596 5.823 -17.504 -0.302 1.00 51.43 O ATOM 1471 CB LEU A 596 2.954 -17.694 -1.262 1.00 2.50 C ATOM 1472 CG LEU A 596 1.654 -18.350 -0.733 1.00 11.32 C ATOM 1473 CD1 LEU A 596 1.730 -18.724 0.736 1.00 51.44 C ATOM 1474 CD2 LEU A 596 0.448 -17.481 -1.022 1.00 71.15 C ATOM 0 H LEU A 596 4.161 -15.772 -2.225 1.00 60.21 H new ATOM 0 HA LEU A 596 2.876 -16.229 0.319 1.00 14.22 H new ATOM 0 HB2 LEU A 596 2.737 -17.260 -2.238 1.00 2.50 H new ATOM 0 HB3 LEU A 596 3.688 -18.484 -1.420 1.00 2.50 H new ATOM 0 HG LEU A 596 1.538 -19.288 -1.277 1.00 11.32 H new ATOM 0 HD11 LEU A 596 0.789 -19.179 1.045 1.00 51.44 H new ATOM 0 HD12 LEU A 596 2.543 -19.434 0.889 1.00 51.44 H new ATOM 0 HD13 LEU A 596 1.913 -17.829 1.330 1.00 51.44 H new ATOM 0 HD21 LEU A 596 -0.450 -17.966 -0.640 1.00 71.15 H new ATOM 0 HD22 LEU A 596 0.572 -16.513 -0.536 1.00 71.15 H new ATOM 0 HD23 LEU A 596 0.353 -17.337 -2.098 1.00 71.15 H new ATOM 1486 N VAL A 597 4.743 -17.298 1.642 1.00 53.35 N ATOM 1487 CA VAL A 597 5.860 -17.845 2.425 1.00 32.33 C ATOM 1488 C VAL A 597 5.893 -19.348 2.269 1.00 24.52 C ATOM 1489 O VAL A 597 6.941 -19.957 2.092 1.00 73.12 O ATOM 1490 CB VAL A 597 5.722 -17.507 3.936 1.00 73.41 C ATOM 1491 CG1 VAL A 597 6.906 -18.025 4.741 1.00 24.24 C ATOM 1492 CG2 VAL A 597 5.568 -16.027 4.133 1.00 32.40 C ATOM 0 H VAL A 597 3.931 -17.022 2.195 1.00 53.35 H new ATOM 0 HA VAL A 597 6.780 -17.395 2.051 1.00 32.33 H new ATOM 0 HB VAL A 597 4.826 -18.009 4.302 1.00 73.41 H new ATOM 0 HG11 VAL A 597 6.772 -17.769 5.792 1.00 24.24 H new ATOM 0 HG12 VAL A 597 6.971 -19.108 4.637 1.00 24.24 H new ATOM 0 HG13 VAL A 597 7.825 -17.570 4.371 1.00 24.24 H new ATOM 0 HG21 VAL A 597 5.473 -15.810 5.197 1.00 32.40 H new ATOM 0 HG22 VAL A 597 6.443 -15.514 3.735 1.00 32.40 H new ATOM 0 HG23 VAL A 597 4.676 -15.681 3.611 1.00 32.40 H new ATOM 2055 N ARG A 633 1.138 -16.469 -7.623 1.00 11.41 N ATOM 2056 CA ARG A 633 1.610 -15.738 -6.488 1.00 32.43 C ATOM 2057 C ARG A 633 0.467 -14.838 -6.070 1.00 52.24 C ATOM 2058 O ARG A 633 -0.358 -14.497 -6.909 1.00 53.35 O ATOM 2059 CB ARG A 633 2.820 -14.847 -6.843 1.00 75.22 C ATOM 2060 CG ARG A 633 4.051 -15.565 -7.365 1.00 5.12 C ATOM 2061 CD ARG A 633 4.130 -15.498 -8.874 1.00 32.23 C ATOM 2062 NE ARG A 633 4.229 -14.108 -9.339 1.00 63.31 N ATOM 2063 CZ ARG A 633 4.286 -13.724 -10.609 1.00 41.44 C ATOM 2064 NH1 ARG A 633 4.419 -14.615 -11.585 1.00 51.22 N ATOM 2065 NH2 ARG A 633 4.255 -12.438 -10.902 1.00 72.43 N ATOM 0 HA ARG A 633 1.925 -16.429 -5.706 1.00 32.43 H new ATOM 0 HB2 ARG A 633 2.503 -14.122 -7.592 1.00 75.22 H new ATOM 0 HB3 ARG A 633 3.103 -14.284 -5.954 1.00 75.22 H new ATOM 0 HG2 ARG A 633 4.946 -15.118 -6.932 1.00 5.12 H new ATOM 0 HG3 ARG A 633 4.029 -16.607 -7.046 1.00 5.12 H new ATOM 0 HD2 ARG A 633 4.995 -16.063 -9.221 1.00 32.23 H new ATOM 0 HD3 ARG A 633 3.247 -15.968 -9.308 1.00 32.23 H new ATOM 0 HE ARG A 633 4.256 -13.377 -8.628 1.00 63.31 H new ATOM 0 HH11 ARG A 633 4.479 -15.609 -11.364 1.00 51.22 H new ATOM 0 HH12 ARG A 633 4.461 -14.305 -12.556 1.00 51.22 H new ATOM 0 HH21 ARG A 633 4.188 -11.746 -10.155 1.00 72.43 H new ATOM 0 HH22 ARG A 633 4.298 -12.135 -11.875 1.00 72.43 H new ATOM 2079 N PRO A 634 0.349 -14.479 -4.792 1.00 15.54 N ATOM 2080 CA PRO A 634 -0.676 -13.543 -4.365 1.00 71.10 C ATOM 2081 C PRO A 634 -0.457 -12.171 -5.019 1.00 72.23 C ATOM 2082 O PRO A 634 0.676 -11.754 -5.232 1.00 72.54 O ATOM 2083 CB PRO A 634 -0.505 -13.456 -2.854 1.00 51.33 C ATOM 2084 CG PRO A 634 0.855 -14.006 -2.570 1.00 65.34 C ATOM 2085 CD PRO A 634 1.187 -14.946 -3.688 1.00 71.43 C ATOM 0 HA PRO A 634 -1.679 -13.862 -4.649 1.00 71.10 H new ATOM 0 HB2 PRO A 634 -0.591 -12.426 -2.509 1.00 51.33 H new ATOM 0 HB3 PRO A 634 -1.275 -14.030 -2.339 1.00 51.33 H new ATOM 0 HG2 PRO A 634 1.591 -13.204 -2.509 1.00 65.34 H new ATOM 0 HG3 PRO A 634 0.869 -14.525 -1.612 1.00 65.34 H new ATOM 0 HD2 PRO A 634 2.246 -14.906 -3.944 1.00 71.43 H new ATOM 0 HD3 PRO A 634 0.962 -15.979 -3.423 1.00 71.43 H new ATOM 2093 N ILE A 635 -1.526 -11.477 -5.345 1.00 51.54 N ATOM 2094 CA ILE A 635 -1.391 -10.202 -6.022 1.00 52.21 C ATOM 2095 C ILE A 635 -2.043 -9.045 -5.273 1.00 33.30 C ATOM 2096 O ILE A 635 -2.779 -9.249 -4.304 1.00 73.34 O ATOM 2097 CB ILE A 635 -1.807 -10.247 -7.536 1.00 35.45 C ATOM 2098 CG1 ILE A 635 -3.157 -10.968 -7.781 1.00 45.23 C ATOM 2099 CG2 ILE A 635 -0.709 -10.873 -8.383 1.00 14.14 C ATOM 2100 CD1 ILE A 635 -4.379 -10.254 -7.257 1.00 33.33 C ATOM 0 H ILE A 635 -2.486 -11.767 -5.157 1.00 51.54 H new ATOM 0 HA ILE A 635 -0.320 -9.999 -6.014 1.00 52.21 H new ATOM 0 HB ILE A 635 -1.948 -9.210 -7.841 1.00 35.45 H new ATOM 0 HG12 ILE A 635 -3.278 -11.120 -8.853 1.00 45.23 H new ATOM 0 HG13 ILE A 635 -3.110 -11.956 -7.322 1.00 45.23 H new ATOM 0 HG21 ILE A 635 -1.021 -10.893 -9.427 1.00 14.14 H new ATOM 0 HG22 ILE A 635 0.204 -10.285 -8.288 1.00 14.14 H new ATOM 0 HG23 ILE A 635 -0.522 -11.891 -8.041 1.00 14.14 H new ATOM 0 HD11 ILE A 635 -5.268 -10.843 -7.481 1.00 33.33 H new ATOM 0 HD12 ILE A 635 -4.291 -10.125 -6.178 1.00 33.33 H new ATOM 0 HD13 ILE A 635 -4.462 -9.277 -7.733 1.00 33.33 H new ATOM 2112 N LEU A 636 -1.758 -7.840 -5.733 1.00 35.25 N ATOM 2113 CA LEU A 636 -2.230 -6.603 -5.117 1.00 11.03 C ATOM 2114 C LEU A 636 -3.723 -6.359 -5.381 1.00 21.33 C ATOM 2115 O LEU A 636 -4.338 -7.019 -6.228 1.00 24.33 O ATOM 2116 CB LEU A 636 -1.331 -5.379 -5.525 1.00 35.22 C ATOM 2117 CG LEU A 636 -1.334 -4.842 -7.002 1.00 62.50 C ATOM 2118 CD1 LEU A 636 -1.215 -5.926 -8.035 1.00 21.41 C ATOM 2119 CD2 LEU A 636 -2.512 -3.944 -7.293 1.00 11.43 C ATOM 0 H LEU A 636 -1.182 -7.686 -6.560 1.00 35.25 H new ATOM 0 HA LEU A 636 -2.132 -6.717 -4.037 1.00 11.03 H new ATOM 0 HB2 LEU A 636 -1.610 -4.546 -4.880 1.00 35.22 H new ATOM 0 HB3 LEU A 636 -0.302 -5.641 -5.280 1.00 35.22 H new ATOM 0 HG LEU A 636 -0.431 -4.237 -7.079 1.00 62.50 H new ATOM 0 HD11 LEU A 636 -1.224 -5.482 -9.031 1.00 21.41 H new ATOM 0 HD12 LEU A 636 -0.281 -6.468 -7.888 1.00 21.41 H new ATOM 0 HD13 LEU A 636 -2.054 -6.615 -7.937 1.00 21.41 H new ATOM 0 HD21 LEU A 636 -2.463 -3.603 -8.327 1.00 11.43 H new ATOM 0 HD22 LEU A 636 -3.438 -4.497 -7.137 1.00 11.43 H new ATOM 0 HD23 LEU A 636 -2.487 -3.083 -6.625 1.00 11.43 H new ATOM 2131 N GLY A 637 -4.288 -5.407 -4.677 1.00 63.34 N ATOM 2132 CA GLY A 637 -5.703 -5.170 -4.754 1.00 55.32 C ATOM 2133 C GLY A 637 -6.117 -3.848 -5.380 1.00 24.02 C ATOM 2134 O GLY A 637 -5.359 -3.219 -6.115 1.00 72.05 O ATOM 0 H GLY A 637 -3.785 -4.785 -4.044 1.00 63.34 H new ATOM 0 HA2 GLY A 637 -6.158 -5.979 -5.325 1.00 55.32 H new ATOM 0 HA3 GLY A 637 -6.116 -5.219 -3.747 1.00 55.32 H new ATOM 2138 N GLU A 638 -7.323 -3.457 -5.023 1.00 23.32 N ATOM 2139 CA GLU A 638 -8.090 -2.312 -5.527 1.00 2.14 C ATOM 2140 C GLU A 638 -7.276 -1.021 -5.706 1.00 5.40 C ATOM 2141 O GLU A 638 -7.213 -0.473 -6.817 1.00 54.14 O ATOM 2142 CB GLU A 638 -9.259 -2.101 -4.576 1.00 43.11 C ATOM 2143 CG GLU A 638 -10.332 -1.154 -5.038 1.00 64.33 C ATOM 2144 CD GLU A 638 -11.494 -1.188 -4.090 1.00 42.42 C ATOM 2145 OE1 GLU A 638 -12.321 -2.130 -4.183 1.00 20.12 O ATOM 2146 OE2 GLU A 638 -11.588 -0.308 -3.207 1.00 35.45 O ATOM 0 H GLU A 638 -7.846 -3.969 -4.312 1.00 23.32 H new ATOM 0 HA GLU A 638 -8.427 -2.547 -6.537 1.00 2.14 H new ATOM 0 HB2 GLU A 638 -9.719 -3.069 -4.379 1.00 43.11 H new ATOM 0 HB3 GLU A 638 -8.866 -1.736 -3.627 1.00 43.11 H new ATOM 0 HG2 GLU A 638 -9.932 -0.142 -5.099 1.00 64.33 H new ATOM 0 HG3 GLU A 638 -10.662 -1.428 -6.040 1.00 64.33 H new ATOM 2153 N HIS A 639 -6.686 -0.522 -4.651 1.00 41.01 N ATOM 2154 CA HIS A 639 -5.893 0.680 -4.752 1.00 31.11 C ATOM 2155 C HIS A 639 -4.642 0.598 -3.914 1.00 63.34 C ATOM 2156 O HIS A 639 -4.681 0.579 -2.671 1.00 12.41 O ATOM 2157 CB HIS A 639 -6.704 1.981 -4.493 1.00 42.13 C ATOM 2158 CG HIS A 639 -7.425 2.081 -3.175 1.00 31.13 C ATOM 2159 ND1 HIS A 639 -6.992 2.850 -2.117 1.00 51.43 N ATOM 2160 CD2 HIS A 639 -8.605 1.546 -2.787 1.00 52.05 C ATOM 2161 CE1 HIS A 639 -7.902 2.763 -1.146 1.00 62.52 C ATOM 2162 NE2 HIS A 639 -8.907 1.978 -1.502 1.00 3.42 N ATOM 0 H HIS A 639 -6.738 -0.925 -3.716 1.00 41.01 H new ATOM 0 HA HIS A 639 -5.576 0.746 -5.793 1.00 31.11 H new ATOM 0 HB2 HIS A 639 -6.022 2.828 -4.572 1.00 42.13 H new ATOM 0 HB3 HIS A 639 -7.439 2.088 -5.291 1.00 42.13 H new ATOM 0 HD2 HIS A 639 -9.217 0.886 -3.383 1.00 52.05 H new ATOM 0 HE1 HIS A 639 -7.829 3.267 -0.194 1.00 62.52 H new ATOM 0 HE2 HIS A 639 -9.730 1.740 -0.949 1.00 3.42 H new ATOM 2170 N THR A 640 -3.541 0.498 -4.584 1.00 43.34 N ATOM 2171 CA THR A 640 -2.286 0.423 -3.944 1.00 44.23 C ATOM 2172 C THR A 640 -1.442 1.639 -4.256 1.00 31.32 C ATOM 2173 O THR A 640 -0.739 1.689 -5.270 1.00 64.03 O ATOM 2174 CB THR A 640 -1.564 -0.873 -4.328 1.00 41.15 C ATOM 2175 OG1 THR A 640 -1.681 -1.088 -5.746 1.00 71.52 O ATOM 2176 CG2 THR A 640 -2.175 -2.042 -3.600 1.00 70.11 C ATOM 0 H THR A 640 -3.496 0.466 -5.603 1.00 43.34 H new ATOM 0 HA THR A 640 -2.451 0.410 -2.867 1.00 44.23 H new ATOM 0 HB THR A 640 -0.513 -0.786 -4.052 1.00 41.15 H new ATOM 0 HG1 THR A 640 -1.410 -0.276 -6.223 1.00 71.52 H new ATOM 0 HG21 THR A 640 -1.654 -2.958 -3.880 1.00 70.11 H new ATOM 0 HG22 THR A 640 -2.085 -1.888 -2.525 1.00 70.11 H new ATOM 0 HG23 THR A 640 -3.228 -2.127 -3.868 1.00 70.11 H new ATOM 2184 N LYS A 641 -1.561 2.622 -3.400 1.00 32.31 N ATOM 2185 CA LYS A 641 -0.840 3.857 -3.482 1.00 75.34 C ATOM 2186 C LYS A 641 -1.205 4.611 -2.245 1.00 2.23 C ATOM 2187 O LYS A 641 -2.365 4.594 -1.838 1.00 53.40 O ATOM 2188 CB LYS A 641 -1.252 4.641 -4.761 1.00 21.44 C ATOM 2189 CG LYS A 641 -0.438 5.911 -5.121 1.00 4.31 C ATOM 2190 CD LYS A 641 -0.685 7.095 -4.209 1.00 73.42 C ATOM 2191 CE LYS A 641 0.071 8.319 -4.690 1.00 5.54 C ATOM 2192 NZ LYS A 641 -0.411 8.790 -6.008 1.00 41.22 N ATOM 0 H LYS A 641 -2.189 2.577 -2.597 1.00 32.31 H new ATOM 0 HA LYS A 641 0.237 3.701 -3.549 1.00 75.34 H new ATOM 0 HB2 LYS A 641 -1.196 3.956 -5.607 1.00 21.44 H new ATOM 0 HB3 LYS A 641 -2.297 4.931 -4.654 1.00 21.44 H new ATOM 0 HG2 LYS A 641 0.624 5.665 -5.097 1.00 4.31 H new ATOM 0 HG3 LYS A 641 -0.675 6.201 -6.145 1.00 4.31 H new ATOM 0 HD2 LYS A 641 -1.752 7.314 -4.172 1.00 73.42 H new ATOM 0 HD3 LYS A 641 -0.375 6.847 -3.194 1.00 73.42 H new ATOM 0 HE2 LYS A 641 -0.035 9.120 -3.959 1.00 5.54 H new ATOM 0 HE3 LYS A 641 1.134 8.085 -4.756 1.00 5.54 H new ATOM 0 HZ1 LYS A 641 -0.101 9.771 -6.161 1.00 41.22 H new ATOM 0 HZ2 LYS A 641 -0.021 8.183 -6.757 1.00 41.22 H new ATOM 0 HZ3 LYS A 641 -1.450 8.748 -6.033 1.00 41.22 H new ATOM 2206 N LEU A 642 -0.250 5.213 -1.634 1.00 53.52 N ATOM 2207 CA LEU A 642 -0.488 5.967 -0.454 1.00 70.54 C ATOM 2208 C LEU A 642 0.252 7.265 -0.554 1.00 53.21 C ATOM 2209 O LEU A 642 1.475 7.272 -0.616 1.00 74.43 O ATOM 2210 CB LEU A 642 0.031 5.225 0.748 1.00 44.45 C ATOM 2211 CG LEU A 642 -0.227 5.903 2.073 1.00 34.43 C ATOM 2212 CD1 LEU A 642 -1.677 5.807 2.451 1.00 52.54 C ATOM 2213 CD2 LEU A 642 0.650 5.339 3.136 1.00 43.42 C ATOM 0 H LEU A 642 0.723 5.198 -1.938 1.00 53.52 H new ATOM 0 HA LEU A 642 -1.560 6.134 -0.349 1.00 70.54 H new ATOM 0 HB2 LEU A 642 -0.422 4.234 0.769 1.00 44.45 H new ATOM 0 HB3 LEU A 642 1.105 5.082 0.633 1.00 44.45 H new ATOM 0 HG LEU A 642 0.017 6.960 1.968 1.00 34.43 H new ATOM 0 HD11 LEU A 642 -1.837 6.303 3.409 1.00 52.54 H new ATOM 0 HD12 LEU A 642 -2.285 6.290 1.686 1.00 52.54 H new ATOM 0 HD13 LEU A 642 -1.963 4.758 2.533 1.00 52.54 H new ATOM 0 HD21 LEU A 642 0.446 5.843 4.081 1.00 43.42 H new ATOM 0 HD22 LEU A 642 0.452 4.273 3.243 1.00 43.42 H new ATOM 0 HD23 LEU A 642 1.695 5.488 2.863 1.00 43.42 H new ATOM 2225 N GLU A 643 -0.464 8.334 -0.621 1.00 22.24 N ATOM 2226 CA GLU A 643 0.141 9.630 -0.639 1.00 51.14 C ATOM 2227 C GLU A 643 0.079 10.170 0.772 1.00 73.23 C ATOM 2228 O GLU A 643 -1.004 10.421 1.293 1.00 61.44 O ATOM 2229 CB GLU A 643 -0.625 10.523 -1.584 1.00 13.24 C ATOM 2230 CG GLU A 643 0.083 11.797 -1.962 1.00 70.14 C ATOM 2231 CD GLU A 643 -0.658 12.534 -3.032 1.00 43.44 C ATOM 2232 OE1 GLU A 643 -0.735 12.025 -4.166 1.00 51.22 O ATOM 2233 OE2 GLU A 643 -1.168 13.645 -2.783 1.00 74.10 O ATOM 0 H GLU A 643 -1.483 8.340 -0.665 1.00 22.24 H new ATOM 0 HA GLU A 643 1.176 9.584 -0.979 1.00 51.14 H new ATOM 0 HB2 GLU A 643 -0.845 9.963 -2.493 1.00 13.24 H new ATOM 0 HB3 GLU A 643 -1.581 10.777 -1.127 1.00 13.24 H new ATOM 0 HG2 GLU A 643 0.185 12.433 -1.083 1.00 70.14 H new ATOM 0 HG3 GLU A 643 1.091 11.567 -2.307 1.00 70.14 H new ATOM 2240 N VAL A 644 1.205 10.264 1.417 1.00 2.54 N ATOM 2241 CA VAL A 644 1.250 10.723 2.781 1.00 53.35 C ATOM 2242 C VAL A 644 1.594 12.179 2.814 1.00 33.11 C ATOM 2243 O VAL A 644 2.752 12.538 2.612 1.00 63.23 O ATOM 2244 CB VAL A 644 2.324 9.977 3.578 1.00 54.41 C ATOM 2245 CG1 VAL A 644 2.245 10.328 5.055 1.00 50.01 C ATOM 2246 CG2 VAL A 644 2.235 8.483 3.347 1.00 12.22 C ATOM 0 H VAL A 644 2.114 10.027 1.019 1.00 2.54 H new ATOM 0 HA VAL A 644 0.270 10.541 3.222 1.00 53.35 H new ATOM 0 HB VAL A 644 3.301 10.300 3.219 1.00 54.41 H new ATOM 0 HG11 VAL A 644 3.018 9.786 5.600 1.00 50.01 H new ATOM 0 HG12 VAL A 644 2.395 11.400 5.183 1.00 50.01 H new ATOM 0 HG13 VAL A 644 1.265 10.050 5.443 1.00 50.01 H new ATOM 0 HG21 VAL A 644 3.009 7.979 3.925 1.00 12.22 H new ATOM 0 HG22 VAL A 644 1.255 8.124 3.662 1.00 12.22 H new ATOM 0 HG23 VAL A 644 2.376 8.270 2.287 1.00 12.22 H new ATOM 2256 N ILE A 645 0.628 13.017 3.016 1.00 74.45 N ATOM 2257 CA ILE A 645 0.899 14.422 3.104 1.00 3.50 C ATOM 2258 C ILE A 645 1.196 14.746 4.552 1.00 0.43 C ATOM 2259 O ILE A 645 0.374 14.486 5.440 1.00 40.33 O ATOM 2260 CB ILE A 645 -0.250 15.346 2.551 1.00 2.42 C ATOM 2261 CG1 ILE A 645 -0.545 15.074 1.054 1.00 15.15 C ATOM 2262 CG2 ILE A 645 0.105 16.820 2.746 1.00 33.14 C ATOM 2263 CD1 ILE A 645 -1.383 13.839 0.779 1.00 50.21 C ATOM 0 H ILE A 645 -0.353 12.758 3.123 1.00 74.45 H new ATOM 0 HA ILE A 645 1.753 14.634 2.461 1.00 3.50 H new ATOM 0 HB ILE A 645 -1.150 15.110 3.119 1.00 2.42 H new ATOM 0 HG12 ILE A 645 -1.056 15.942 0.637 1.00 15.15 H new ATOM 0 HG13 ILE A 645 0.403 14.977 0.524 1.00 15.15 H new ATOM 0 HG21 ILE A 645 -0.701 17.443 2.358 1.00 33.14 H new ATOM 0 HG22 ILE A 645 0.242 17.024 3.808 1.00 33.14 H new ATOM 0 HG23 ILE A 645 1.028 17.046 2.211 1.00 33.14 H new ATOM 0 HD11 ILE A 645 -1.535 13.734 -0.295 1.00 50.21 H new ATOM 0 HD12 ILE A 645 -0.868 12.957 1.160 1.00 50.21 H new ATOM 0 HD13 ILE A 645 -2.349 13.937 1.274 1.00 50.21 H new ATOM 2275 N ILE A 646 2.372 15.255 4.796 1.00 62.24 N ATOM 2276 CA ILE A 646 2.792 15.542 6.135 1.00 2.22 C ATOM 2277 C ILE A 646 2.594 17.000 6.342 1.00 42.42 C ATOM 2278 O ILE A 646 3.364 17.823 5.812 1.00 5.31 O ATOM 2279 CB ILE A 646 4.309 15.218 6.397 1.00 42.31 C ATOM 2280 CG1 ILE A 646 4.716 13.842 5.857 1.00 74.54 C ATOM 2281 CG2 ILE A 646 4.639 15.306 7.880 1.00 42.13 C ATOM 2282 CD1 ILE A 646 4.975 13.825 4.366 1.00 70.15 C ATOM 0 H ILE A 646 3.060 15.480 4.077 1.00 62.24 H new ATOM 0 HA ILE A 646 2.210 14.920 6.815 1.00 2.22 H new ATOM 0 HB ILE A 646 4.882 15.971 5.856 1.00 42.31 H new ATOM 0 HG12 ILE A 646 5.615 13.509 6.377 1.00 74.54 H new ATOM 0 HG13 ILE A 646 3.929 13.124 6.088 1.00 74.54 H new ATOM 0 HG21 ILE A 646 5.694 15.077 8.032 1.00 42.13 H new ATOM 0 HG22 ILE A 646 4.430 16.313 8.240 1.00 42.13 H new ATOM 0 HG23 ILE A 646 4.029 14.590 8.431 1.00 42.13 H new ATOM 0 HD11 ILE A 646 5.258 12.819 4.057 1.00 70.15 H new ATOM 0 HD12 ILE A 646 4.071 14.126 3.836 1.00 70.15 H new ATOM 0 HD13 ILE A 646 5.783 14.518 4.129 1.00 70.15 H new ATOM 2294 N GLU A 647 1.612 17.333 7.090 1.00 63.43 N ATOM 2295 CA GLU A 647 1.309 18.692 7.316 1.00 62.22 C ATOM 2296 C GLU A 647 1.737 19.134 8.694 1.00 23.33 C ATOM 2297 O GLU A 647 1.908 18.314 9.608 1.00 51.32 O ATOM 2298 CB GLU A 647 -0.147 19.041 6.940 1.00 34.11 C ATOM 2299 CG GLU A 647 -1.232 18.116 7.478 1.00 35.33 C ATOM 2300 CD GLU A 647 -2.606 18.549 7.001 1.00 20.32 C ATOM 2301 OE1 GLU A 647 -2.994 18.209 5.853 1.00 0.24 O ATOM 2302 OE2 GLU A 647 -3.312 19.278 7.746 1.00 42.24 O ATOM 0 H GLU A 647 0.996 16.671 7.563 1.00 63.43 H new ATOM 0 HA GLU A 647 1.908 19.291 6.630 1.00 62.22 H new ATOM 0 HB2 GLU A 647 -0.356 20.052 7.291 1.00 34.11 H new ATOM 0 HB3 GLU A 647 -0.223 19.059 5.853 1.00 34.11 H new ATOM 0 HG2 GLU A 647 -1.037 17.094 7.153 1.00 35.33 H new ATOM 0 HG3 GLU A 647 -1.206 18.115 8.568 1.00 35.33 H new ATOM 2309 N GLU A 648 1.965 20.412 8.818 1.00 34.52 N ATOM 2310 CA GLU A 648 2.497 21.023 10.013 1.00 11.14 C ATOM 2311 C GLU A 648 1.622 20.833 11.225 1.00 33.34 C ATOM 2312 O GLU A 648 0.422 20.578 11.118 1.00 3.41 O ATOM 2313 CB GLU A 648 2.712 22.507 9.771 1.00 62.54 C ATOM 2314 CG GLU A 648 3.736 22.783 8.710 1.00 41.44 C ATOM 2315 CD GLU A 648 5.048 22.169 9.068 1.00 60.10 C ATOM 2316 OE1 GLU A 648 5.715 22.676 9.959 1.00 1.31 O ATOM 2317 OE2 GLU A 648 5.437 21.128 8.463 1.00 61.31 O ATOM 0 H GLU A 648 1.782 21.081 8.070 1.00 34.52 H new ATOM 0 HA GLU A 648 3.442 20.523 10.227 1.00 11.14 H new ATOM 0 HB2 GLU A 648 1.765 22.964 9.483 1.00 62.54 H new ATOM 0 HB3 GLU A 648 3.024 22.980 10.702 1.00 62.54 H new ATOM 0 HG2 GLU A 648 3.392 22.387 7.755 1.00 41.44 H new ATOM 0 HG3 GLU A 648 3.855 23.859 8.584 1.00 41.44 H new ATOM 2324 N SER A 649 2.214 21.048 12.382 1.00 62.41 N ATOM 2325 CA SER A 649 1.530 20.959 13.657 1.00 21.44 C ATOM 2326 C SER A 649 0.859 22.337 13.930 1.00 43.00 C ATOM 2327 O SER A 649 0.799 22.850 15.054 1.00 75.42 O ATOM 2328 CB SER A 649 2.566 20.589 14.743 1.00 70.14 C ATOM 2329 OG SER A 649 1.947 20.155 15.947 1.00 20.31 O ATOM 0 H SER A 649 3.201 21.294 12.465 1.00 62.41 H new ATOM 0 HA SER A 649 0.757 20.190 13.659 1.00 21.44 H new ATOM 0 HB2 SER A 649 3.219 19.801 14.367 1.00 70.14 H new ATOM 0 HB3 SER A 649 3.197 21.453 14.951 1.00 70.14 H new ATOM 0 HG SER A 649 1.273 20.811 16.223 1.00 20.31 H new