USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 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 571 TYR OH : rot -16:sc= 0.0372 USER MOD Set 1.2: A 609 ASN : amide:sc= -9.69! C(o=-9.7!,f=-11!) USER MOD Set 2.1: A 523 GLN :FLIP amide:sc= -0.2 F(o=-0.84,f=-0.2) USER MOD Set 2.2: A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 504 THR OG1 : rot 158:sc= 1.17 USER MOD Single : A 506 MET CE :methyl -108:sc= 0 (180deg=-2.53!) USER MOD Single : A 510 LYS NZ :NH3+ -176:sc= 0.689 (180deg=0.669) USER MOD Single : A 513 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 SER OG : rot -100:sc= 0.0193 USER MOD Single : A 517 MET CE :methyl -178:sc= -2 (180deg=-2) USER MOD Single : A 524 SER OG : rot 73:sc= 1.11 USER MOD Single : A 530 THR OG1 : rot -150:sc= 0 USER MOD Single : A 532 ASN :FLIP amide:sc= -0.22 F(o=-2.7!,f=-0.22) USER MOD Single : A 537 TYR OH : rot -123:sc= 1.31 USER MOD Single : A 538 THR OG1 : rot 103:sc= 1.46 USER MOD Single : A 543 THR OG1 : rot 180:sc= 0 USER MOD Single : A 544 ASN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 556 SER OG : rot 10:sc= -1.44! USER MOD Single : A 563 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0.963) USER MOD Single : A 567 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 HIS :FLIP no HE2:sc= -3.78! C(o=-5.9!,f=-3.8!) USER MOD Single : A 580 SER OG : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -158:sc= 1.37 (180deg=0.177) USER MOD Single : A 591 SER OG : rot -64:sc= 0.138 USER MOD Single : A 593 GLN : amide:sc= -1.5! X(o=-1.5!,f=-1.6) USER MOD Single : A 596 LYS NZ :NH3+ -114:sc= 0.378 (180deg=-0.282) USER MOD Single : A 600 SER OG : rot 70:sc= 1.24 USER MOD Single : A 602 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0579) USER MOD Single : A 603 ASN : amide:sc= -0.081 X(o=-0.081,f=-0.31) USER MOD Single : A 604 ASN :FLIP amide:sc= -0.0443 F(o=-0.95,f=-0.044) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 610 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.814) USER MOD Single : A 619 MET CE :methyl 157:sc= -0.298 (180deg=-1.29) USER MOD Single : A 621 THR OG1 : rot -91:sc= 0.483 USER MOD Single : A 622 ASN : amide:sc= -2.75! C(o=-2.8!,f=-17!) USER MOD Single : A 626 HIS : no HD1:sc= -0.0361 K(o=-0.036,f=-4.9!) USER MOD Single : A 629 THR OG1 : rot 5:sc= 0.95 USER MOD Single : A 630 ASN : amide:sc= 0.551 K(o=0.55,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 37 N GLY A 503 0.793 -15.873 5.866 1.00 0.00 N ATOM 38 CA GLY A 503 0.002 -15.724 4.665 1.00 0.00 C ATOM 39 C GLY A 503 0.688 -14.863 3.638 1.00 0.00 C ATOM 40 O GLY A 503 1.921 -14.793 3.583 1.00 0.00 O ATOM 0 HA2 GLY A 503 -0.197 -16.707 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -0.963 -15.285 4.919 1.00 0.00 H new ATOM 44 N THR A 504 -0.113 -14.215 2.823 1.00 0.00 N ATOM 45 CA THR A 504 0.379 -13.276 1.843 1.00 0.00 C ATOM 46 C THR A 504 0.333 -11.869 2.415 1.00 0.00 C ATOM 47 O THR A 504 0.115 -11.690 3.612 1.00 0.00 O ATOM 48 CB THR A 504 -0.475 -13.317 0.575 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.842 -13.061 0.921 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.363 -14.662 -0.128 1.00 0.00 C ATOM 0 H THR A 504 -1.127 -14.325 2.822 1.00 0.00 H new ATOM 0 HA THR A 504 1.404 -13.550 1.594 1.00 0.00 H new ATOM 0 HB THR A 504 -0.112 -12.552 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.326 -12.743 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 504 -0.982 -14.656 -1.025 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.676 -14.842 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 504 -0.702 -15.452 0.542 1.00 0.00 H new ATOM 58 N VAL A 505 0.567 -10.880 1.560 1.00 0.00 N ATOM 59 CA VAL A 505 0.364 -9.480 1.918 1.00 0.00 C ATOM 60 C VAL A 505 -0.978 -9.295 2.626 1.00 0.00 C ATOM 61 O VAL A 505 -1.058 -8.603 3.630 1.00 0.00 O ATOM 62 CB VAL A 505 0.414 -8.559 0.675 1.00 0.00 C ATOM 63 CG1 VAL A 505 0.008 -7.136 1.030 1.00 0.00 C ATOM 64 CG2 VAL A 505 1.802 -8.563 0.054 1.00 0.00 C ATOM 0 H VAL A 505 0.900 -11.023 0.607 1.00 0.00 H new ATOM 0 HA VAL A 505 1.175 -9.201 2.590 1.00 0.00 H new ATOM 0 HB VAL A 505 -0.297 -8.950 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 505 0.052 -6.512 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -1.009 -7.135 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 505 0.689 -6.741 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 505 1.812 -7.909 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 505 2.528 -8.206 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 505 2.062 -9.577 -0.250 1.00 0.00 H new ATOM 74 N MET A 506 -2.020 -9.943 2.118 1.00 0.00 N ATOM 75 CA MET A 506 -3.338 -9.842 2.703 1.00 0.00 C ATOM 76 C MET A 506 -3.334 -10.326 4.155 1.00 0.00 C ATOM 77 O MET A 506 -3.967 -9.721 5.020 1.00 0.00 O ATOM 78 CB MET A 506 -4.300 -10.671 1.875 1.00 0.00 C ATOM 79 CG MET A 506 -5.720 -10.177 1.939 1.00 0.00 C ATOM 80 SD MET A 506 -5.878 -8.481 1.349 1.00 0.00 S ATOM 81 CE MET A 506 -7.543 -8.085 1.867 1.00 0.00 C ATOM 0 H MET A 506 -1.969 -10.546 1.297 1.00 0.00 H new ATOM 0 HA MET A 506 -3.651 -8.798 2.705 1.00 0.00 H new ATOM 0 HB2 MET A 506 -3.969 -10.670 0.837 1.00 0.00 H new ATOM 0 HB3 MET A 506 -4.267 -11.705 2.219 1.00 0.00 H new ATOM 0 HG2 MET A 506 -6.357 -10.829 1.341 1.00 0.00 H new ATOM 0 HG3 MET A 506 -6.078 -10.237 2.967 1.00 0.00 H new ATOM 0 HE1 MET A 506 -8.195 -8.043 0.995 1.00 0.00 H new ATOM 0 HE2 MET A 506 -7.903 -8.852 2.552 1.00 0.00 H new ATOM 0 HE3 MET A 506 -7.547 -7.118 2.370 1.00 0.00 H new ATOM 91 N ASP A 507 -2.609 -11.413 4.421 1.00 0.00 N ATOM 92 CA ASP A 507 -2.499 -11.925 5.782 1.00 0.00 C ATOM 93 C ASP A 507 -1.690 -10.962 6.643 1.00 0.00 C ATOM 94 O ASP A 507 -1.972 -10.797 7.829 1.00 0.00 O ATOM 95 CB ASP A 507 -1.841 -13.300 5.780 1.00 0.00 C ATOM 96 CG ASP A 507 -2.285 -14.168 6.944 1.00 0.00 C ATOM 97 OD1 ASP A 507 -1.657 -14.111 8.022 1.00 0.00 O ATOM 98 OD2 ASP A 507 -3.271 -14.921 6.784 1.00 0.00 O1- ATOM 0 H ASP A 507 -2.096 -11.948 3.720 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.502 -12.016 6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.075 -13.808 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.758 -13.179 5.815 1.00 0.00 H new ATOM 103 N VAL A 508 -0.690 -10.316 6.031 1.00 0.00 N ATOM 104 CA VAL A 508 0.126 -9.312 6.727 1.00 0.00 C ATOM 105 C VAL A 508 -0.756 -8.267 7.398 1.00 0.00 C ATOM 106 O VAL A 508 -0.672 -8.048 8.605 1.00 0.00 O ATOM 107 CB VAL A 508 1.116 -8.610 5.770 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.891 -7.513 6.490 1.00 0.00 C ATOM 109 CG2 VAL A 508 2.078 -9.621 5.165 1.00 0.00 C ATOM 0 H VAL A 508 -0.426 -10.470 5.058 1.00 0.00 H new ATOM 0 HA VAL A 508 0.700 -9.843 7.486 1.00 0.00 H new ATOM 0 HB VAL A 508 0.538 -8.149 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.580 -7.036 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 508 1.194 -6.769 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 508 2.454 -7.947 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.768 -9.110 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.641 -10.109 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.516 -10.369 4.606 1.00 0.00 H new ATOM 119 N LEU A 509 -1.587 -7.633 6.592 1.00 0.00 N ATOM 120 CA LEU A 509 -2.545 -6.651 7.037 1.00 0.00 C ATOM 121 C LEU A 509 -3.500 -7.204 8.091 1.00 0.00 C ATOM 122 O LEU A 509 -3.796 -6.538 9.080 1.00 0.00 O ATOM 123 CB LEU A 509 -3.321 -6.177 5.814 1.00 0.00 C ATOM 124 CG LEU A 509 -2.545 -5.262 4.857 1.00 0.00 C ATOM 125 CD1 LEU A 509 -1.191 -5.830 4.450 1.00 0.00 C ATOM 126 CD2 LEU A 509 -3.384 -4.977 3.623 1.00 0.00 C ATOM 0 H LEU A 509 -1.611 -7.794 5.585 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.014 -5.825 7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -3.660 -7.051 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -4.212 -5.649 6.152 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.345 -4.337 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -0.694 -5.135 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -0.576 -5.975 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -1.334 -6.786 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -2.828 -4.327 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -3.616 -5.914 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -4.311 -4.485 3.919 1.00 0.00 H new ATOM 138 N LYS A 510 -3.967 -8.427 7.875 1.00 0.00 N ATOM 139 CA LYS A 510 -4.929 -9.057 8.774 1.00 0.00 C ATOM 140 C LYS A 510 -4.293 -9.345 10.135 1.00 0.00 C ATOM 141 O LYS A 510 -4.982 -9.411 11.155 1.00 0.00 O ATOM 142 CB LYS A 510 -5.470 -10.341 8.127 1.00 0.00 C ATOM 143 CG LYS A 510 -6.441 -11.142 8.991 1.00 0.00 C ATOM 144 CD LYS A 510 -5.753 -12.319 9.672 1.00 0.00 C ATOM 145 CE LYS A 510 -5.147 -13.270 8.645 1.00 0.00 C ATOM 146 NZ LYS A 510 -4.525 -14.467 9.270 1.00 0.00 N1+ ATOM 0 H LYS A 510 -3.694 -9.006 7.081 1.00 0.00 H new ATOM 0 HA LYS A 510 -5.762 -8.374 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -5.970 -10.077 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -4.627 -10.981 7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -6.878 -10.490 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -7.261 -11.508 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -4.972 -11.952 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.472 -12.857 10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -5.923 -13.590 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -4.396 -12.738 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -4.070 -15.045 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -3.812 -14.165 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -5.258 -15.029 9.748 1.00 0.00 H new ATOM 160 N GLY A 511 -2.977 -9.503 10.144 1.00 0.00 N ATOM 161 CA GLY A 511 -2.271 -9.782 11.372 1.00 0.00 C ATOM 162 C GLY A 511 -1.623 -8.550 11.972 1.00 0.00 C ATOM 163 O GLY A 511 -0.786 -8.658 12.871 1.00 0.00 O ATOM 0 H GLY A 511 -2.385 -9.442 9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -2.965 -10.210 12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -1.505 -10.534 11.182 1.00 0.00 H new ATOM 167 N ASP A 512 -1.997 -7.382 11.472 1.00 0.00 N ATOM 168 CA ASP A 512 -1.431 -6.130 11.957 1.00 0.00 C ATOM 169 C ASP A 512 -2.527 -5.198 12.465 1.00 0.00 C ATOM 170 O ASP A 512 -3.585 -5.071 11.849 1.00 0.00 O ATOM 171 CB ASP A 512 -0.636 -5.438 10.853 1.00 0.00 C ATOM 172 CG ASP A 512 0.291 -4.371 11.398 1.00 0.00 C ATOM 173 OD1 ASP A 512 -0.195 -3.287 11.776 1.00 0.00 O ATOM 174 OD2 ASP A 512 1.511 -4.620 11.453 1.00 0.00 O1- ATOM 0 H ASP A 512 -2.690 -7.274 10.731 1.00 0.00 H new ATOM 0 HA ASP A 512 -0.761 -6.364 12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 512 -0.052 -6.180 10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.325 -4.988 10.139 1.00 0.00 H new ATOM 179 N ASN A 513 -2.258 -4.529 13.579 1.00 0.00 N ATOM 180 CA ASN A 513 -3.246 -3.663 14.222 1.00 0.00 C ATOM 181 C ASN A 513 -3.413 -2.348 13.466 1.00 0.00 C ATOM 182 O ASN A 513 -4.386 -1.623 13.669 1.00 0.00 O ATOM 183 CB ASN A 513 -2.845 -3.372 15.673 1.00 0.00 C ATOM 184 CG ASN A 513 -2.789 -4.616 16.540 1.00 0.00 C ATOM 185 OD1 ASN A 513 -3.793 -5.030 17.117 1.00 0.00 O ATOM 186 ND2 ASN A 513 -1.609 -5.211 16.662 1.00 0.00 N ATOM 0 H ASN A 513 -1.360 -4.568 14.060 1.00 0.00 H new ATOM 0 HA ASN A 513 -4.199 -4.192 14.209 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -1.869 -2.886 15.683 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -3.556 -2.668 16.105 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -1.514 -6.040 17.249 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -0.797 -4.840 16.168 1.00 0.00 H new ATOM 193 N ARG A 514 -2.460 -2.038 12.602 1.00 0.00 N ATOM 194 CA ARG A 514 -2.480 -0.786 11.858 1.00 0.00 C ATOM 195 C ARG A 514 -3.198 -0.957 10.526 1.00 0.00 C ATOM 196 O ARG A 514 -3.723 0.005 9.964 1.00 0.00 O ATOM 197 CB ARG A 514 -1.052 -0.301 11.618 1.00 0.00 C ATOM 198 CG ARG A 514 -0.303 0.047 12.892 1.00 0.00 C ATOM 199 CD ARG A 514 1.199 0.066 12.659 1.00 0.00 C ATOM 200 NE ARG A 514 1.701 -1.255 12.274 1.00 0.00 N ATOM 201 CZ ARG A 514 2.988 -1.605 12.278 1.00 0.00 C ATOM 202 NH1 ARG A 514 3.928 -0.727 12.617 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 3.332 -2.838 11.937 1.00 0.00 N ATOM 0 H ARG A 514 -1.660 -2.637 12.397 1.00 0.00 H new ATOM 0 HA ARG A 514 -3.020 -0.045 12.448 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -0.501 -1.074 11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -1.080 0.577 10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.630 1.022 13.254 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -0.544 -0.679 13.669 1.00 0.00 H new ATOM 0 HD2 ARG A 514 1.438 0.788 11.878 1.00 0.00 H new ATOM 0 HD3 ARG A 514 1.704 0.398 13.566 1.00 0.00 H new ATOM 0 HE ARG A 514 1.019 -1.956 11.983 1.00 0.00 H new ATOM 0 HH11 ARG A 514 3.667 0.224 12.877 1.00 0.00 H new ATOM 0 HH12 ARG A 514 4.909 -1.005 12.617 1.00 0.00 H new ATOM 0 HH21 ARG A 514 2.614 -3.513 11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 514 4.314 -3.112 11.938 1.00 0.00 H new ATOM 217 N PHE A 515 -3.220 -2.184 10.026 1.00 0.00 N ATOM 218 CA PHE A 515 -3.761 -2.457 8.711 1.00 0.00 C ATOM 219 C PHE A 515 -5.109 -3.166 8.793 1.00 0.00 C ATOM 220 O PHE A 515 -5.642 -3.605 7.779 1.00 0.00 O ATOM 221 CB PHE A 515 -2.783 -3.325 7.930 1.00 0.00 C ATOM 222 CG PHE A 515 -1.399 -2.750 7.826 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.202 -1.384 7.691 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.293 -3.583 7.856 1.00 0.00 C ATOM 225 CE1 PHE A 515 0.072 -0.864 7.590 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.982 -3.066 7.756 1.00 0.00 C ATOM 227 CZ PHE A 515 1.163 -1.705 7.622 1.00 0.00 C ATOM 0 H PHE A 515 -2.867 -3.006 10.516 1.00 0.00 H new ATOM 0 HA PHE A 515 -3.910 -1.503 8.205 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -2.723 -4.304 8.406 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.176 -3.482 6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.054 -0.721 7.665 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.430 -4.649 7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 515 0.214 0.202 7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.837 -3.725 7.783 1.00 0.00 H new ATOM 0 HZ PHE A 515 2.160 -1.298 7.542 1.00 0.00 H new ATOM 237 N SER A 516 -5.654 -3.268 9.997 1.00 0.00 N ATOM 238 CA SER A 516 -6.907 -3.976 10.227 1.00 0.00 C ATOM 239 C SER A 516 -8.037 -3.464 9.324 1.00 0.00 C ATOM 240 O SER A 516 -8.664 -4.238 8.597 1.00 0.00 O ATOM 241 CB SER A 516 -7.279 -3.830 11.704 1.00 0.00 C ATOM 242 OG SER A 516 -7.174 -2.474 12.114 1.00 0.00 O ATOM 0 H SER A 516 -5.243 -2.865 10.839 1.00 0.00 H new ATOM 0 HA SER A 516 -6.769 -5.028 9.975 1.00 0.00 H new ATOM 0 HB2 SER A 516 -8.296 -4.187 11.865 1.00 0.00 H new ATOM 0 HB3 SER A 516 -6.623 -4.452 12.313 1.00 0.00 H new ATOM 0 HG SER A 516 -6.328 -2.341 12.591 1.00 0.00 H new ATOM 248 N MET A 517 -8.278 -2.159 9.363 1.00 0.00 N ATOM 249 CA MET A 517 -9.339 -1.545 8.565 1.00 0.00 C ATOM 250 C MET A 517 -8.983 -1.624 7.076 1.00 0.00 C ATOM 251 O MET A 517 -9.858 -1.728 6.215 1.00 0.00 O ATOM 252 CB MET A 517 -9.537 -0.085 9.009 1.00 0.00 C ATOM 253 CG MET A 517 -10.969 0.434 8.877 1.00 0.00 C ATOM 254 SD MET A 517 -11.529 0.579 7.170 1.00 0.00 S ATOM 255 CE MET A 517 -10.246 1.620 6.484 1.00 0.00 C ATOM 0 H MET A 517 -7.753 -1.502 9.940 1.00 0.00 H new ATOM 0 HA MET A 517 -10.274 -2.084 8.720 1.00 0.00 H new ATOM 0 HB2 MET A 517 -9.225 0.010 10.049 1.00 0.00 H new ATOM 0 HB3 MET A 517 -8.878 0.552 8.419 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.640 -0.235 9.415 1.00 0.00 H new ATOM 0 HG3 MET A 517 -11.039 1.410 9.358 1.00 0.00 H new ATOM 0 HE1 MET A 517 -10.469 1.831 5.438 1.00 0.00 H new ATOM 0 HE2 MET A 517 -10.200 2.556 7.041 1.00 0.00 H new ATOM 0 HE3 MET A 517 -9.286 1.108 6.554 1.00 0.00 H new ATOM 265 N LEU A 518 -7.683 -1.609 6.790 1.00 0.00 N ATOM 266 CA LEU A 518 -7.176 -1.709 5.422 1.00 0.00 C ATOM 267 C LEU A 518 -7.676 -2.986 4.763 1.00 0.00 C ATOM 268 O LEU A 518 -8.154 -2.963 3.626 1.00 0.00 O ATOM 269 CB LEU A 518 -5.651 -1.698 5.442 1.00 0.00 C ATOM 270 CG LEU A 518 -4.966 -1.704 4.072 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.424 -0.527 3.225 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.455 -1.684 4.243 1.00 0.00 C ATOM 0 H LEU A 518 -6.953 -1.527 7.497 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.538 -0.857 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.320 -0.815 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.308 -2.567 6.003 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.250 -2.619 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -4.921 -0.557 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.502 -0.584 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -5.177 0.405 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -2.978 -1.688 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -3.162 -0.785 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.141 -2.564 4.804 1.00 0.00 H new ATOM 284 N VAL A 519 -7.581 -4.087 5.505 1.00 0.00 N ATOM 285 CA VAL A 519 -8.047 -5.391 5.030 1.00 0.00 C ATOM 286 C VAL A 519 -9.486 -5.297 4.552 1.00 0.00 C ATOM 287 O VAL A 519 -9.805 -5.683 3.432 1.00 0.00 O ATOM 288 CB VAL A 519 -7.986 -6.459 6.142 1.00 0.00 C ATOM 289 CG1 VAL A 519 -8.172 -7.855 5.567 1.00 0.00 C ATOM 290 CG2 VAL A 519 -6.687 -6.360 6.914 1.00 0.00 C ATOM 0 H VAL A 519 -7.183 -4.103 6.444 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.388 -5.682 4.213 1.00 0.00 H new ATOM 0 HB VAL A 519 -8.806 -6.270 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -8.125 -8.589 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.142 -7.919 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -7.383 -8.059 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -6.667 -7.123 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -5.848 -6.512 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -6.610 -5.373 7.371 1.00 0.00 H new ATOM 300 N ALA A 520 -10.332 -4.753 5.414 1.00 0.00 N ATOM 301 CA ALA A 520 -11.763 -4.658 5.148 1.00 0.00 C ATOM 302 C ALA A 520 -12.068 -3.777 3.933 1.00 0.00 C ATOM 303 O ALA A 520 -13.015 -4.046 3.191 1.00 0.00 O ATOM 304 CB ALA A 520 -12.483 -4.130 6.379 1.00 0.00 C ATOM 0 H ALA A 520 -10.049 -4.366 6.314 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.124 -5.660 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -13.551 -4.061 6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -12.317 -4.808 7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.097 -3.142 6.630 1.00 0.00 H new ATOM 310 N ALA A 521 -11.280 -2.729 3.720 1.00 0.00 N ATOM 311 CA ALA A 521 -11.495 -1.866 2.564 1.00 0.00 C ATOM 312 C ALA A 521 -11.064 -2.573 1.281 1.00 0.00 C ATOM 313 O ALA A 521 -11.820 -2.632 0.314 1.00 0.00 O ATOM 314 CB ALA A 521 -10.776 -0.533 2.725 1.00 0.00 C ATOM 0 H ALA A 521 -10.500 -2.459 4.320 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.562 -1.654 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.957 0.086 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -11.151 -0.022 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.705 -0.708 2.832 1.00 0.00 H new ATOM 320 N ILE A 522 -9.859 -3.134 1.284 1.00 0.00 N ATOM 321 CA ILE A 522 -9.371 -3.907 0.143 1.00 0.00 C ATOM 322 C ILE A 522 -10.326 -5.060 -0.142 1.00 0.00 C ATOM 323 O ILE A 522 -10.553 -5.440 -1.295 1.00 0.00 O ATOM 324 CB ILE A 522 -7.950 -4.458 0.395 1.00 0.00 C ATOM 325 CG1 ILE A 522 -6.985 -3.312 0.689 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.463 -5.261 -0.799 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.626 -3.770 1.163 1.00 0.00 C ATOM 0 H ILE A 522 -9.202 -3.069 2.062 1.00 0.00 H new ATOM 0 HA ILE A 522 -9.325 -3.241 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 522 -7.987 -5.120 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.862 -2.712 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.425 -2.663 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.460 -5.639 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -8.138 -6.099 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.440 -4.622 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -4.995 -2.902 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -5.736 -4.345 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.165 -4.394 0.397 1.00 0.00 H new ATOM 339 N GLN A 523 -10.885 -5.602 0.932 1.00 0.00 N ATOM 340 CA GLN A 523 -11.923 -6.610 0.857 1.00 0.00 C ATOM 341 C GLN A 523 -13.099 -6.093 0.046 1.00 0.00 C ATOM 342 O GLN A 523 -13.475 -6.687 -0.959 1.00 0.00 O ATOM 343 CB GLN A 523 -12.389 -6.949 2.268 1.00 0.00 C ATOM 344 CG GLN A 523 -12.842 -8.386 2.439 1.00 0.00 C ATOM 345 CD GLN A 523 -14.112 -8.730 1.678 1.00 0.00 C ATOM 346 OE1 GLN A 523 -13.969 -9.034 0.395 1.00 0.00 O flip ATOM 347 NE2 GLN A 523 -15.217 -8.676 2.225 1.00 0.00 N flip ATOM 0 H GLN A 523 -10.625 -5.349 1.886 1.00 0.00 H new ATOM 0 HA GLN A 523 -11.525 -7.501 0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -11.576 -6.750 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -13.210 -6.285 2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -12.043 -9.050 2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -13.002 -8.582 3.499 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -15.285 -8.438 3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -16.062 -8.869 1.687 1.00 0.00 H new ATOM 356 N SER A 524 -13.656 -4.972 0.488 1.00 0.00 N ATOM 357 CA SER A 524 -14.812 -4.373 -0.166 1.00 0.00 C ATOM 358 C SER A 524 -14.511 -4.076 -1.635 1.00 0.00 C ATOM 359 O SER A 524 -15.411 -4.047 -2.471 1.00 0.00 O ATOM 360 CB SER A 524 -15.204 -3.087 0.560 1.00 0.00 C ATOM 361 OG SER A 524 -15.364 -3.311 1.954 1.00 0.00 O ATOM 0 H SER A 524 -13.323 -4.457 1.303 1.00 0.00 H new ATOM 0 HA SER A 524 -15.641 -5.079 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 524 -14.440 -2.327 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 524 -16.133 -2.700 0.142 1.00 0.00 H new ATOM 0 HG SER A 524 -14.484 -3.429 2.369 1.00 0.00 H new ATOM 367 N ALA A 525 -13.233 -3.869 -1.931 1.00 0.00 N ATOM 368 CA ALA A 525 -12.784 -3.595 -3.284 1.00 0.00 C ATOM 369 C ALA A 525 -12.722 -4.872 -4.119 1.00 0.00 C ATOM 370 O ALA A 525 -12.646 -4.807 -5.347 1.00 0.00 O ATOM 371 CB ALA A 525 -11.423 -2.913 -3.258 1.00 0.00 C ATOM 0 H ALA A 525 -12.483 -3.887 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 525 -13.508 -2.927 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -11.097 -2.713 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -11.497 -1.974 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.699 -3.564 -2.767 1.00 0.00 H new ATOM 377 N GLY A 526 -12.751 -6.033 -3.461 1.00 0.00 N ATOM 378 CA GLY A 526 -12.674 -7.285 -4.183 1.00 0.00 C ATOM 379 C GLY A 526 -11.254 -7.631 -4.587 1.00 0.00 C ATOM 380 O GLY A 526 -11.027 -8.597 -5.314 1.00 0.00 O ATOM 0 H GLY A 526 -12.826 -6.123 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -13.078 -8.085 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -13.299 -7.227 -5.074 1.00 0.00 H new ATOM 384 N LEU A 527 -10.288 -6.858 -4.090 1.00 0.00 N ATOM 385 CA LEU A 527 -8.888 -7.069 -4.445 1.00 0.00 C ATOM 386 C LEU A 527 -8.265 -8.155 -3.586 1.00 0.00 C ATOM 387 O LEU A 527 -7.049 -8.361 -3.612 1.00 0.00 O ATOM 388 CB LEU A 527 -8.071 -5.787 -4.314 1.00 0.00 C ATOM 389 CG LEU A 527 -8.434 -4.671 -5.292 1.00 0.00 C ATOM 390 CD1 LEU A 527 -7.511 -3.477 -5.090 1.00 0.00 C ATOM 391 CD2 LEU A 527 -8.364 -5.175 -6.729 1.00 0.00 C ATOM 0 H LEU A 527 -10.450 -6.085 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 527 -8.872 -7.383 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -8.184 -5.407 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -7.018 -6.033 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 527 -9.458 -4.352 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -7.779 -2.687 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -7.614 -3.106 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -6.479 -3.782 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -8.626 -4.366 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -7.353 -5.519 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -9.064 -6.001 -6.860 1.00 0.00 H new ATOM 403 N THR A 528 -9.100 -8.844 -2.822 1.00 0.00 N ATOM 404 CA THR A 528 -8.663 -10.013 -2.092 1.00 0.00 C ATOM 405 C THR A 528 -7.987 -10.978 -3.059 1.00 0.00 C ATOM 406 O THR A 528 -6.915 -11.505 -2.777 1.00 0.00 O ATOM 407 CB THR A 528 -9.852 -10.715 -1.412 1.00 0.00 C ATOM 408 OG1 THR A 528 -10.560 -9.777 -0.584 1.00 0.00 O ATOM 409 CG2 THR A 528 -9.377 -11.893 -0.576 1.00 0.00 C ATOM 0 H THR A 528 -10.084 -8.609 -2.695 1.00 0.00 H new ATOM 0 HA THR A 528 -7.962 -9.701 -1.318 1.00 0.00 H new ATOM 0 HB THR A 528 -10.522 -11.092 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 528 -11.317 -10.227 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 528 -10.234 -12.374 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 528 -8.865 -12.611 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 528 -8.691 -11.540 0.194 1.00 0.00 H new ATOM 417 N GLU A 529 -8.612 -11.147 -4.219 1.00 0.00 N ATOM 418 CA GLU A 529 -8.093 -11.992 -5.289 1.00 0.00 C ATOM 419 C GLU A 529 -6.641 -11.642 -5.622 1.00 0.00 C ATOM 420 O GLU A 529 -5.792 -12.525 -5.729 1.00 0.00 O ATOM 421 CB GLU A 529 -8.965 -11.819 -6.539 1.00 0.00 C ATOM 422 CG GLU A 529 -8.710 -12.853 -7.623 1.00 0.00 C ATOM 423 CD GLU A 529 -9.123 -14.244 -7.192 1.00 0.00 C ATOM 424 OE1 GLU A 529 -10.343 -14.503 -7.099 1.00 0.00 O ATOM 425 OE2 GLU A 529 -8.236 -15.081 -6.938 1.00 0.00 O1- ATOM 0 H GLU A 529 -9.500 -10.698 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 529 -8.121 -13.028 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -10.014 -11.867 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -8.794 -10.825 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -9.257 -12.576 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -7.651 -12.853 -7.881 1.00 0.00 H new ATOM 432 N THR A 530 -6.357 -10.350 -5.748 1.00 0.00 N ATOM 433 CA THR A 530 -5.042 -9.889 -6.165 1.00 0.00 C ATOM 434 C THR A 530 -3.962 -10.265 -5.150 1.00 0.00 C ATOM 435 O THR A 530 -2.870 -10.702 -5.522 1.00 0.00 O ATOM 436 CB THR A 530 -5.052 -8.364 -6.362 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.184 -7.994 -7.159 1.00 0.00 O ATOM 438 CG2 THR A 530 -3.773 -7.892 -7.037 1.00 0.00 C ATOM 0 H THR A 530 -7.026 -9.602 -5.566 1.00 0.00 H new ATOM 0 HA THR A 530 -4.808 -10.381 -7.109 1.00 0.00 H new ATOM 0 HB THR A 530 -5.116 -7.889 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 530 -5.972 -7.188 -7.674 1.00 0.00 H new ATOM 0 HG21 THR A 530 -3.807 -6.810 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 530 -2.916 -8.158 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 530 -3.679 -8.369 -8.013 1.00 0.00 H new ATOM 446 N LEU A 531 -4.278 -10.113 -3.869 1.00 0.00 N ATOM 447 CA LEU A 531 -3.306 -10.353 -2.809 1.00 0.00 C ATOM 448 C LEU A 531 -3.351 -11.797 -2.313 1.00 0.00 C ATOM 449 O LEU A 531 -2.462 -12.235 -1.591 1.00 0.00 O ATOM 450 CB LEU A 531 -3.531 -9.377 -1.652 1.00 0.00 C ATOM 451 CG LEU A 531 -3.273 -7.909 -1.994 1.00 0.00 C ATOM 452 CD1 LEU A 531 -3.509 -7.027 -0.780 1.00 0.00 C ATOM 453 CD2 LEU A 531 -1.853 -7.723 -2.513 1.00 0.00 C ATOM 0 H LEU A 531 -5.199 -9.825 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 531 -2.313 -10.185 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -4.559 -9.479 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -2.883 -9.662 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 531 -3.971 -7.614 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -3.320 -5.986 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -4.541 -7.135 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -2.835 -7.326 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -1.687 -6.672 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -1.142 -8.038 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.712 -8.325 -3.411 1.00 0.00 H new ATOM 465 N ASN A 532 -4.405 -12.520 -2.672 1.00 0.00 N ATOM 466 CA ASN A 532 -4.491 -13.948 -2.391 1.00 0.00 C ATOM 467 C ASN A 532 -3.845 -14.750 -3.517 1.00 0.00 C ATOM 468 O ASN A 532 -3.684 -15.966 -3.418 1.00 0.00 O ATOM 469 CB ASN A 532 -5.957 -14.363 -2.213 1.00 0.00 C ATOM 470 CG ASN A 532 -6.521 -13.974 -0.859 1.00 0.00 C ATOM 471 OD1 ASN A 532 -6.031 -12.875 -0.301 1.00 0.00 O flip ATOM 472 ND2 ASN A 532 -7.400 -14.648 -0.324 1.00 0.00 N flip ATOM 0 H ASN A 532 -5.215 -12.139 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.953 -14.156 -1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -6.558 -13.902 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -6.042 -15.442 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -7.751 -15.487 -0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -7.778 -14.368 0.581 1.00 0.00 H new ATOM 479 N ARG A 533 -3.475 -14.054 -4.584 1.00 0.00 N ATOM 480 CA ARG A 533 -2.853 -14.682 -5.739 1.00 0.00 C ATOM 481 C ARG A 533 -1.334 -14.644 -5.613 1.00 0.00 C ATOM 482 O ARG A 533 -0.772 -13.707 -5.038 1.00 0.00 O ATOM 483 CB ARG A 533 -3.287 -13.972 -7.028 1.00 0.00 C ATOM 484 CG ARG A 533 -2.788 -14.642 -8.300 1.00 0.00 C ATOM 485 CD ARG A 533 -3.133 -13.825 -9.533 1.00 0.00 C ATOM 486 NE ARG A 533 -2.495 -12.508 -9.515 1.00 0.00 N ATOM 487 CZ ARG A 533 -2.816 -11.509 -10.337 1.00 0.00 C ATOM 488 NH1 ARG A 533 -3.737 -11.682 -11.277 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -2.193 -10.342 -10.225 1.00 0.00 N ATOM 0 H ARG A 533 -3.597 -13.045 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 533 -3.176 -15.722 -5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -4.376 -13.926 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -2.925 -12.944 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -1.708 -14.776 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -3.228 -15.635 -8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -2.821 -14.367 -10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -4.214 -13.703 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 533 -1.758 -12.344 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -4.204 -12.584 -11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -3.978 -10.913 -11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -1.474 -10.214 -9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -2.434 -9.573 -10.851 1.00 0.00 H new ATOM 503 N GLU A 534 -0.680 -15.669 -6.147 1.00 0.00 N ATOM 504 CA GLU A 534 0.774 -15.734 -6.161 1.00 0.00 C ATOM 505 C GLU A 534 1.349 -14.720 -7.141 1.00 0.00 C ATOM 506 O GLU A 534 0.701 -14.351 -8.122 1.00 0.00 O ATOM 507 CB GLU A 534 1.235 -17.142 -6.548 1.00 0.00 C ATOM 508 CG GLU A 534 0.838 -18.214 -5.549 1.00 0.00 C ATOM 509 CD GLU A 534 1.117 -19.610 -6.061 1.00 0.00 C ATOM 510 OE1 GLU A 534 0.222 -20.195 -6.705 1.00 0.00 O ATOM 511 OE2 GLU A 534 2.230 -20.128 -5.830 1.00 0.00 O1- ATOM 0 H GLU A 534 -1.139 -16.471 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 534 1.136 -15.498 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 534 0.818 -17.395 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 534 2.320 -17.142 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 534 1.380 -18.057 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 534 -0.224 -18.119 -5.321 1.00 0.00 H new ATOM 518 N GLY A 535 2.558 -14.269 -6.859 1.00 0.00 N ATOM 519 CA GLY A 535 3.227 -13.341 -7.741 1.00 0.00 C ATOM 520 C GLY A 535 4.219 -12.473 -6.999 1.00 0.00 C ATOM 521 O GLY A 535 4.641 -12.816 -5.894 1.00 0.00 O ATOM 0 H GLY A 535 3.091 -14.531 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 535 3.744 -13.894 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 535 2.487 -12.709 -8.232 1.00 0.00 H new ATOM 525 N VAL A 536 4.594 -11.358 -7.608 1.00 0.00 N ATOM 526 CA VAL A 536 5.495 -10.403 -6.980 1.00 0.00 C ATOM 527 C VAL A 536 4.820 -9.042 -6.860 1.00 0.00 C ATOM 528 O VAL A 536 4.296 -8.510 -7.838 1.00 0.00 O ATOM 529 CB VAL A 536 6.825 -10.264 -7.768 1.00 0.00 C ATOM 530 CG1 VAL A 536 7.661 -11.526 -7.635 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.576 -9.963 -9.239 1.00 0.00 C ATOM 0 H VAL A 536 4.286 -11.091 -8.543 1.00 0.00 H new ATOM 0 HA VAL A 536 5.732 -10.780 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 536 7.371 -9.425 -7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.589 -11.408 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 536 7.891 -11.701 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.104 -12.375 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.530 -9.873 -9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 536 5.996 -10.772 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 536 6.023 -9.028 -9.331 1.00 0.00 H new ATOM 541 N TYR A 537 4.821 -8.485 -5.659 1.00 0.00 N ATOM 542 CA TYR A 537 4.184 -7.197 -5.422 1.00 0.00 C ATOM 543 C TYR A 537 4.997 -6.356 -4.447 1.00 0.00 C ATOM 544 O TYR A 537 5.767 -6.882 -3.642 1.00 0.00 O ATOM 545 CB TYR A 537 2.774 -7.368 -4.838 1.00 0.00 C ATOM 546 CG TYR A 537 1.816 -8.210 -5.656 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.310 -7.760 -6.871 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.391 -9.446 -5.188 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.412 -8.522 -7.594 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.490 -10.207 -5.902 1.00 0.00 C ATOM 551 CZ TYR A 537 0.006 -9.743 -7.103 1.00 0.00 C ATOM 552 OH TYR A 537 -0.909 -10.496 -7.802 1.00 0.00 O ATOM 0 H TYR A 537 5.254 -8.902 -4.835 1.00 0.00 H new ATOM 0 HA TYR A 537 4.124 -6.697 -6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.864 -7.814 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.335 -6.379 -4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.624 -6.801 -7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.773 -9.818 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 537 0.031 -8.162 -8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 537 0.166 -11.164 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 537 -1.684 -10.682 -7.231 1.00 0.00 H new ATOM 562 N THR A 538 4.822 -5.052 -4.538 1.00 0.00 N ATOM 563 CA THR A 538 5.314 -4.131 -3.524 1.00 0.00 C ATOM 564 C THR A 538 4.145 -3.298 -3.027 1.00 0.00 C ATOM 565 O THR A 538 3.702 -2.370 -3.701 1.00 0.00 O ATOM 566 CB THR A 538 6.424 -3.210 -4.066 1.00 0.00 C ATOM 567 OG1 THR A 538 7.539 -3.997 -4.484 1.00 0.00 O ATOM 568 CG2 THR A 538 6.882 -2.211 -3.016 1.00 0.00 C ATOM 0 H THR A 538 4.337 -4.599 -5.313 1.00 0.00 H new ATOM 0 HA THR A 538 5.751 -4.710 -2.710 1.00 0.00 H new ATOM 0 HB THR A 538 6.016 -2.656 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.538 -4.073 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.665 -1.578 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.039 -1.591 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.271 -2.746 -2.150 1.00 0.00 H new ATOM 576 N VAL A 539 3.617 -3.662 -1.873 1.00 0.00 N ATOM 577 CA VAL A 539 2.416 -3.047 -1.366 1.00 0.00 C ATOM 578 C VAL A 539 2.734 -2.078 -0.243 1.00 0.00 C ATOM 579 O VAL A 539 3.208 -2.478 0.822 1.00 0.00 O ATOM 580 CB VAL A 539 1.432 -4.114 -0.854 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.170 -3.463 -0.329 1.00 0.00 C ATOM 582 CG2 VAL A 539 1.105 -5.108 -1.956 1.00 0.00 C ATOM 0 H VAL A 539 4.008 -4.386 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 539 1.956 -2.499 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 539 1.904 -4.655 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.514 -4.232 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.422 -2.791 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.307 -2.897 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.408 -5.855 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.652 -4.583 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 539 2.020 -5.600 -2.286 1.00 0.00 H new ATOM 592 N PHE A 540 2.498 -0.804 -0.488 1.00 0.00 N ATOM 593 CA PHE A 540 2.612 0.186 0.552 1.00 0.00 C ATOM 594 C PHE A 540 1.293 0.266 1.303 1.00 0.00 C ATOM 595 O PHE A 540 0.272 0.657 0.743 1.00 0.00 O ATOM 596 CB PHE A 540 3.013 1.529 -0.049 1.00 0.00 C ATOM 597 CG PHE A 540 4.466 1.573 -0.414 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.408 1.921 0.530 1.00 0.00 C ATOM 599 CD2 PHE A 540 4.887 1.258 -1.693 1.00 0.00 C ATOM 600 CE1 PHE A 540 6.750 1.958 0.209 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.228 1.294 -2.023 1.00 0.00 C ATOM 602 CZ PHE A 540 7.162 1.644 -1.070 1.00 0.00 C ATOM 0 H PHE A 540 2.227 -0.435 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 540 3.391 -0.094 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.411 1.722 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 540 2.795 2.324 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.092 2.168 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.160 0.981 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.477 2.233 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 540 6.545 1.048 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.211 1.672 -1.324 1.00 0.00 H new ATOM 612 N ALA A 541 1.322 -0.129 2.566 1.00 0.00 N ATOM 613 CA ALA A 541 0.101 -0.318 3.338 1.00 0.00 C ATOM 614 C ALA A 541 -0.130 0.834 4.308 1.00 0.00 C ATOM 615 O ALA A 541 0.677 1.073 5.208 1.00 0.00 O ATOM 616 CB ALA A 541 0.161 -1.641 4.083 1.00 0.00 C ATOM 0 H ALA A 541 2.180 -0.326 3.081 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.741 -0.336 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.755 -1.776 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.264 -2.457 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 541 1.017 -1.640 4.758 1.00 0.00 H new ATOM 622 N PRO A 542 -1.226 1.579 4.114 1.00 0.00 N ATOM 623 CA PRO A 542 -1.591 2.708 4.971 1.00 0.00 C ATOM 624 C PRO A 542 -2.103 2.250 6.332 1.00 0.00 C ATOM 625 O PRO A 542 -2.850 1.274 6.428 1.00 0.00 O ATOM 626 CB PRO A 542 -2.718 3.411 4.199 1.00 0.00 C ATOM 627 CG PRO A 542 -2.755 2.769 2.853 1.00 0.00 C ATOM 628 CD PRO A 542 -2.193 1.392 3.033 1.00 0.00 C ATOM 0 HA PRO A 542 -0.734 3.350 5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.673 3.297 4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -2.526 4.481 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -3.774 2.727 2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -2.167 3.339 2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.965 0.671 3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.717 1.026 2.123 1.00 0.00 H new ATOM 636 N THR A 543 -1.700 2.955 7.378 1.00 0.00 N ATOM 637 CA THR A 543 -2.143 2.638 8.723 1.00 0.00 C ATOM 638 C THR A 543 -3.508 3.254 9.012 1.00 0.00 C ATOM 639 O THR A 543 -4.121 3.871 8.138 1.00 0.00 O ATOM 640 CB THR A 543 -1.131 3.135 9.770 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.013 4.564 9.700 1.00 0.00 O ATOM 642 CG2 THR A 543 0.226 2.505 9.534 1.00 0.00 C ATOM 0 H THR A 543 -1.066 3.752 7.319 1.00 0.00 H new ATOM 0 HA THR A 543 -2.221 1.553 8.788 1.00 0.00 H new ATOM 0 HB THR A 543 -1.489 2.848 10.759 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.368 4.872 10.371 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.930 2.867 10.283 1.00 0.00 H new ATOM 0 HG22 THR A 543 0.142 1.421 9.609 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.584 2.773 8.540 1.00 0.00 H new ATOM 650 N ASN A 544 -3.975 3.086 10.246 1.00 0.00 N ATOM 651 CA ASN A 544 -5.258 3.641 10.674 1.00 0.00 C ATOM 652 C ASN A 544 -5.269 5.156 10.547 1.00 0.00 C ATOM 653 O ASN A 544 -6.312 5.760 10.282 1.00 0.00 O ATOM 654 CB ASN A 544 -5.579 3.246 12.120 1.00 0.00 C ATOM 655 CG ASN A 544 -6.274 1.896 12.228 1.00 0.00 C ATOM 656 OD1 ASN A 544 -7.082 1.676 13.128 1.00 0.00 O ATOM 657 ND2 ASN A 544 -5.976 0.983 11.315 1.00 0.00 N ATOM 0 H ASN A 544 -3.481 2.567 10.972 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.023 3.225 10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -4.655 3.220 12.697 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -6.213 4.011 12.568 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -6.422 0.066 11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -5.301 1.197 10.581 1.00 0.00 H new ATOM 664 N GLU A 545 -4.099 5.764 10.718 1.00 0.00 N ATOM 665 CA GLU A 545 -3.968 7.209 10.614 1.00 0.00 C ATOM 666 C GLU A 545 -4.276 7.681 9.197 1.00 0.00 C ATOM 667 O GLU A 545 -4.775 8.784 9.001 1.00 0.00 O ATOM 668 CB GLU A 545 -2.558 7.656 11.016 1.00 0.00 C ATOM 669 CG GLU A 545 -2.383 9.167 10.994 1.00 0.00 C ATOM 670 CD GLU A 545 -0.959 9.606 11.241 1.00 0.00 C ATOM 671 OE1 GLU A 545 -0.533 9.628 12.413 1.00 0.00 O ATOM 672 OE2 GLU A 545 -0.271 9.974 10.267 1.00 0.00 O1- ATOM 0 H GLU A 545 -3.229 5.276 10.929 1.00 0.00 H new ATOM 0 HA GLU A 545 -4.688 7.659 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -2.337 7.285 12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -1.833 7.202 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -2.712 9.550 10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -3.030 9.612 11.750 1.00 0.00 H new ATOM 679 N ALA A 546 -4.007 6.833 8.214 1.00 0.00 N ATOM 680 CA ALA A 546 -4.199 7.204 6.819 1.00 0.00 C ATOM 681 C ALA A 546 -5.661 7.379 6.494 1.00 0.00 C ATOM 682 O ALA A 546 -6.043 8.247 5.715 1.00 0.00 O ATOM 683 CB ALA A 546 -3.580 6.163 5.910 1.00 0.00 C ATOM 0 H ALA A 546 -3.656 5.886 8.356 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.702 8.160 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -3.731 6.452 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.512 6.090 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -4.051 5.197 6.090 1.00 0.00 H new ATOM 689 N PHE A 547 -6.475 6.561 7.117 1.00 0.00 N ATOM 690 CA PHE A 547 -7.908 6.626 6.934 1.00 0.00 C ATOM 691 C PHE A 547 -8.448 7.855 7.654 1.00 0.00 C ATOM 692 O PHE A 547 -9.609 8.219 7.500 1.00 0.00 O ATOM 693 CB PHE A 547 -8.567 5.329 7.420 1.00 0.00 C ATOM 694 CG PHE A 547 -7.795 4.108 7.014 1.00 0.00 C ATOM 695 CD1 PHE A 547 -7.402 3.941 5.698 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.460 3.136 7.941 1.00 0.00 C ATOM 697 CE1 PHE A 547 -6.688 2.826 5.312 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.747 2.016 7.560 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.359 1.861 6.243 1.00 0.00 C ATOM 0 H PHE A 547 -6.166 5.834 7.763 1.00 0.00 H new ATOM 0 HA PHE A 547 -8.147 6.723 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.656 5.355 8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.578 5.266 7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -7.657 4.692 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.759 3.255 8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -6.386 2.708 4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.493 1.262 8.291 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.800 0.987 5.943 1.00 0.00 H new ATOM 709 N ARG A 548 -7.604 8.441 8.504 1.00 0.00 N ATOM 710 CA ARG A 548 -7.951 9.674 9.203 1.00 0.00 C ATOM 711 C ARG A 548 -7.431 10.903 8.448 1.00 0.00 C ATOM 712 O ARG A 548 -8.103 11.932 8.370 1.00 0.00 O ATOM 713 CB ARG A 548 -7.395 9.657 10.629 1.00 0.00 C ATOM 714 CG ARG A 548 -7.664 10.941 11.391 1.00 0.00 C ATOM 715 CD ARG A 548 -7.180 10.849 12.827 1.00 0.00 C ATOM 716 NE ARG A 548 -7.364 12.105 13.546 1.00 0.00 N ATOM 717 CZ ARG A 548 -7.864 12.193 14.777 1.00 0.00 C ATOM 718 NH1 ARG A 548 -8.219 11.095 15.429 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -7.995 13.376 15.356 1.00 0.00 N ATOM 0 H ARG A 548 -6.676 8.080 8.724 1.00 0.00 H new ATOM 0 HA ARG A 548 -9.038 9.737 9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -7.834 8.821 11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -6.320 9.483 10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -7.167 11.773 10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -8.733 11.155 11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -7.720 10.054 13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -6.125 10.576 12.837 1.00 0.00 H new ATOM 0 HE ARG A 548 -7.093 12.969 13.077 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -8.109 10.182 14.988 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -8.602 11.163 16.372 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -7.713 14.221 14.859 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -8.378 13.443 16.299 1.00 0.00 H new ATOM 733 N ALA A 549 -6.233 10.775 7.884 1.00 0.00 N ATOM 734 CA ALA A 549 -5.524 11.903 7.272 1.00 0.00 C ATOM 735 C ALA A 549 -5.852 12.031 5.790 1.00 0.00 C ATOM 736 O ALA A 549 -5.265 12.839 5.071 1.00 0.00 O ATOM 737 CB ALA A 549 -4.025 11.729 7.466 1.00 0.00 C ATOM 0 H ALA A 549 -5.725 9.892 7.837 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.852 12.819 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.499 12.568 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.798 11.694 8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -3.703 10.800 6.995 1.00 0.00 H new ATOM 743 N LEU A 550 -6.800 11.233 5.354 1.00 0.00 N ATOM 744 CA LEU A 550 -7.225 11.203 3.962 1.00 0.00 C ATOM 745 C LEU A 550 -8.078 12.424 3.617 1.00 0.00 C ATOM 746 O LEU A 550 -8.563 13.126 4.506 1.00 0.00 O ATOM 747 CB LEU A 550 -8.034 9.922 3.717 1.00 0.00 C ATOM 748 CG LEU A 550 -9.499 9.946 4.189 1.00 0.00 C ATOM 749 CD1 LEU A 550 -10.077 8.558 4.114 1.00 0.00 C ATOM 750 CD2 LEU A 550 -9.650 10.493 5.598 1.00 0.00 C ATOM 0 H LEU A 550 -7.304 10.580 5.954 1.00 0.00 H new ATOM 0 HA LEU A 550 -6.340 11.220 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -8.021 9.707 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -7.527 9.095 4.214 1.00 0.00 H new ATOM 0 HG LEU A 550 -10.043 10.617 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -11.114 8.577 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -10.034 8.201 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -9.502 7.889 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -10.703 10.487 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -9.085 9.871 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -9.270 11.514 5.635 1.00 0.00 H new ATOM 762 N PRO A 551 -8.257 12.711 2.325 1.00 0.00 N ATOM 763 CA PRO A 551 -9.267 13.653 1.871 1.00 0.00 C ATOM 764 C PRO A 551 -10.636 12.964 1.814 1.00 0.00 C ATOM 765 O PRO A 551 -10.780 11.911 1.191 1.00 0.00 O ATOM 766 CB PRO A 551 -8.791 14.060 0.469 1.00 0.00 C ATOM 767 CG PRO A 551 -7.516 13.313 0.220 1.00 0.00 C ATOM 768 CD PRO A 551 -7.482 12.178 1.203 1.00 0.00 C ATOM 0 HA PRO A 551 -9.383 14.513 2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -9.540 13.811 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -8.628 15.136 0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -7.480 12.940 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -6.653 13.966 0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -7.930 11.272 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -6.463 11.925 1.497 1.00 0.00 H new ATOM 776 N PRO A 552 -11.652 13.544 2.474 1.00 0.00 N ATOM 777 CA PRO A 552 -12.970 12.910 2.659 1.00 0.00 C ATOM 778 C PRO A 552 -13.642 12.462 1.356 1.00 0.00 C ATOM 779 O PRO A 552 -14.175 11.352 1.282 1.00 0.00 O ATOM 780 CB PRO A 552 -13.812 14.000 3.346 1.00 0.00 C ATOM 781 CG PRO A 552 -13.049 15.266 3.156 1.00 0.00 C ATOM 782 CD PRO A 552 -11.603 14.869 3.105 1.00 0.00 C ATOM 0 HA PRO A 552 -12.871 11.990 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -14.805 14.069 2.901 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -13.952 13.780 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -13.349 15.769 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -13.235 15.961 3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -11.010 15.573 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -11.160 14.827 4.100 1.00 0.00 H new ATOM 790 N ARG A 553 -13.589 13.304 0.329 1.00 0.00 N ATOM 791 CA ARG A 553 -14.327 13.048 -0.908 1.00 0.00 C ATOM 792 C ARG A 553 -13.704 11.906 -1.704 1.00 0.00 C ATOM 793 O ARG A 553 -14.377 11.253 -2.505 1.00 0.00 O ATOM 794 CB ARG A 553 -14.406 14.320 -1.753 1.00 0.00 C ATOM 795 CG ARG A 553 -15.086 15.471 -1.030 1.00 0.00 C ATOM 796 CD ARG A 553 -16.506 15.107 -0.626 1.00 0.00 C ATOM 797 NE ARG A 553 -17.051 16.026 0.372 1.00 0.00 N ATOM 798 CZ ARG A 553 -18.305 15.978 0.824 1.00 0.00 C ATOM 799 NH1 ARG A 553 -19.178 15.130 0.294 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -18.698 16.792 1.793 1.00 0.00 N ATOM 0 H ARG A 553 -13.045 14.167 0.326 1.00 0.00 H new ATOM 0 HA ARG A 553 -15.339 12.745 -0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -13.399 14.622 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -14.948 14.105 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -14.510 15.737 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -15.103 16.349 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -17.145 15.112 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -16.520 14.092 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 553 -16.435 16.748 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -18.891 14.510 -0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -20.135 15.098 0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -18.040 17.459 2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -19.658 16.751 2.135 1.00 0.00 H new ATOM 814 N GLU A 554 -12.423 11.665 -1.467 1.00 0.00 N ATOM 815 CA GLU A 554 -11.718 10.547 -2.080 1.00 0.00 C ATOM 816 C GLU A 554 -12.355 9.229 -1.673 1.00 0.00 C ATOM 817 O GLU A 554 -12.740 8.415 -2.513 1.00 0.00 O ATOM 818 CB GLU A 554 -10.246 10.551 -1.647 1.00 0.00 C ATOM 819 CG GLU A 554 -9.333 11.390 -2.530 1.00 0.00 C ATOM 820 CD GLU A 554 -9.953 12.710 -2.942 1.00 0.00 C ATOM 821 OE1 GLU A 554 -10.282 13.525 -2.055 1.00 0.00 O1- ATOM 822 OE2 GLU A 554 -10.120 12.933 -4.159 1.00 0.00 O ATOM 0 H GLU A 554 -11.845 12.234 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 554 -11.781 10.656 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -10.182 10.921 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -9.880 9.524 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -8.401 11.583 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -9.078 10.820 -3.424 1.00 0.00 H new ATOM 829 N TRP A 555 -12.487 9.040 -0.375 1.00 0.00 N ATOM 830 CA TRP A 555 -12.934 7.772 0.169 1.00 0.00 C ATOM 831 C TRP A 555 -14.437 7.602 0.101 1.00 0.00 C ATOM 832 O TRP A 555 -14.925 6.477 -0.020 1.00 0.00 O ATOM 833 CB TRP A 555 -12.453 7.635 1.591 1.00 0.00 C ATOM 834 CG TRP A 555 -11.154 6.905 1.679 1.00 0.00 C ATOM 835 CD1 TRP A 555 -9.938 7.288 1.177 1.00 0.00 C ATOM 836 CD2 TRP A 555 -10.940 5.653 2.324 1.00 0.00 C ATOM 837 NE1 TRP A 555 -8.997 6.329 1.465 1.00 0.00 N ATOM 838 CE2 TRP A 555 -9.587 5.323 2.160 1.00 0.00 C ATOM 839 CE3 TRP A 555 -11.766 4.775 3.010 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -9.036 4.163 2.670 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -11.221 3.619 3.519 1.00 0.00 C ATOM 842 CH2 TRP A 555 -9.863 3.320 3.336 1.00 0.00 C ATOM 0 H TRP A 555 -12.290 9.753 0.327 1.00 0.00 H new ATOM 0 HA TRP A 555 -12.504 6.982 -0.447 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -12.342 8.626 2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -13.205 7.107 2.178 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -9.748 8.204 0.637 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -8.013 6.367 1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -12.815 4.994 3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -7.988 3.937 2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -11.848 2.932 4.068 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -9.467 2.398 3.735 1.00 0.00 H new ATOM 853 N SER A 556 -15.168 8.700 0.179 1.00 0.00 N ATOM 854 CA SER A 556 -16.611 8.648 -0.025 1.00 0.00 C ATOM 855 C SER A 556 -16.912 8.085 -1.414 1.00 0.00 C ATOM 856 O SER A 556 -17.975 7.516 -1.657 1.00 0.00 O ATOM 857 CB SER A 556 -17.240 10.037 0.155 1.00 0.00 C ATOM 858 OG SER A 556 -16.575 11.014 -0.627 1.00 0.00 O ATOM 0 H SER A 556 -14.796 9.628 0.379 1.00 0.00 H new ATOM 0 HA SER A 556 -17.051 7.990 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 556 -18.293 10.000 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 556 -17.200 10.322 1.206 1.00 0.00 H new ATOM 0 HG SER A 556 -15.956 10.572 -1.245 1.00 0.00 H new ATOM 864 N ARG A 557 -15.952 8.250 -2.320 1.00 0.00 N ATOM 865 CA ARG A 557 -16.031 7.655 -3.642 1.00 0.00 C ATOM 866 C ARG A 557 -15.517 6.210 -3.619 1.00 0.00 C ATOM 867 O ARG A 557 -16.167 5.311 -4.151 1.00 0.00 O ATOM 868 CB ARG A 557 -15.229 8.495 -4.648 1.00 0.00 C ATOM 869 CG ARG A 557 -15.275 7.964 -6.073 1.00 0.00 C ATOM 870 CD ARG A 557 -16.684 7.996 -6.643 1.00 0.00 C ATOM 871 NE ARG A 557 -16.774 7.276 -7.911 1.00 0.00 N ATOM 872 CZ ARG A 557 -17.890 7.158 -8.627 1.00 0.00 C ATOM 873 NH1 ARG A 557 -18.988 7.818 -8.276 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -17.897 6.403 -9.719 1.00 0.00 N ATOM 0 H ARG A 557 -15.106 8.796 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 557 -17.076 7.638 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -15.611 9.516 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -14.190 8.540 -4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -14.614 8.559 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -14.899 6.941 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -17.376 7.556 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -16.993 9.031 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 557 -15.927 6.835 -8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -18.980 8.420 -7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -19.839 7.723 -8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -17.049 5.915 -10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -18.751 6.311 -10.270 1.00 0.00 H new ATOM 888 N LEU A 558 -14.360 5.995 -2.989 1.00 0.00 N ATOM 889 CA LEU A 558 -13.713 4.679 -2.978 1.00 0.00 C ATOM 890 C LEU A 558 -14.563 3.621 -2.273 1.00 0.00 C ATOM 891 O LEU A 558 -14.947 2.635 -2.886 1.00 0.00 O ATOM 892 CB LEU A 558 -12.331 4.751 -2.324 1.00 0.00 C ATOM 893 CG LEU A 558 -11.371 5.767 -2.940 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.052 5.777 -2.183 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.148 5.456 -4.413 1.00 0.00 C ATOM 0 H LEU A 558 -13.850 6.716 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.602 4.380 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.459 4.990 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.871 3.764 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 558 -11.814 6.760 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.379 6.506 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.232 6.045 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.598 4.787 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -10.462 6.188 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -10.722 4.458 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.100 5.500 -4.942 1.00 0.00 H new ATOM 907 N LEU A 559 -14.867 3.829 -0.990 1.00 0.00 N ATOM 908 CA LEU A 559 -15.675 2.882 -0.232 1.00 0.00 C ATOM 909 C LEU A 559 -17.093 2.796 -0.798 1.00 0.00 C ATOM 910 O LEU A 559 -17.860 1.897 -0.449 1.00 0.00 O ATOM 911 CB LEU A 559 -15.719 3.306 1.239 1.00 0.00 C ATOM 912 CG LEU A 559 -14.659 2.692 2.174 1.00 0.00 C ATOM 913 CD1 LEU A 559 -15.274 1.609 3.044 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.479 2.110 1.413 1.00 0.00 C ATOM 0 H LEU A 559 -14.564 4.645 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 559 -15.220 1.895 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -15.622 4.391 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -16.704 3.058 1.634 1.00 0.00 H new ATOM 0 HG LEU A 559 -14.290 3.506 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -14.509 1.188 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -16.072 2.038 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -15.683 0.822 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -12.762 1.691 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -13.830 1.325 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -12.998 2.896 0.831 1.00 0.00 H new ATOM 926 N GLY A 560 -17.430 3.738 -1.673 1.00 0.00 N ATOM 927 CA GLY A 560 -18.731 3.743 -2.304 1.00 0.00 C ATOM 928 C GLY A 560 -18.901 2.623 -3.311 1.00 0.00 C ATOM 929 O GLY A 560 -19.995 2.073 -3.449 1.00 0.00 O ATOM 0 H GLY A 560 -16.817 4.503 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.501 3.656 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -18.884 4.700 -2.803 1.00 0.00 H new ATOM 933 N ASP A 561 -17.835 2.282 -4.031 1.00 0.00 N ATOM 934 CA ASP A 561 -17.914 1.216 -5.017 1.00 0.00 C ATOM 935 C ASP A 561 -16.598 0.445 -5.092 1.00 0.00 C ATOM 936 O ASP A 561 -15.521 1.018 -4.949 1.00 0.00 O ATOM 937 CB ASP A 561 -18.281 1.772 -6.393 1.00 0.00 C ATOM 938 CG ASP A 561 -18.975 0.738 -7.259 1.00 0.00 C ATOM 939 OD1 ASP A 561 -18.554 -0.440 -7.249 1.00 0.00 O1- ATOM 940 OD2 ASP A 561 -19.952 1.087 -7.945 1.00 0.00 O ATOM 0 H ASP A 561 -16.919 2.724 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.699 0.529 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -18.931 2.638 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -17.378 2.119 -6.896 1.00 0.00 H new ATOM 945 N ALA A 562 -16.698 -0.845 -5.375 1.00 0.00 N ATOM 946 CA ALA A 562 -15.561 -1.756 -5.284 1.00 0.00 C ATOM 947 C ALA A 562 -14.504 -1.468 -6.336 1.00 0.00 C ATOM 948 O ALA A 562 -13.319 -1.395 -6.020 1.00 0.00 O ATOM 949 CB ALA A 562 -16.032 -3.194 -5.409 1.00 0.00 C ATOM 0 H ALA A 562 -17.565 -1.291 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 562 -15.102 -1.600 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -15.176 -3.865 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.734 -3.418 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -16.525 -3.333 -6.371 1.00 0.00 H new ATOM 955 N LYS A 563 -14.923 -1.297 -7.585 1.00 0.00 N ATOM 956 CA LYS A 563 -13.971 -1.081 -8.665 1.00 0.00 C ATOM 957 C LYS A 563 -13.323 0.291 -8.524 1.00 0.00 C ATOM 958 O LYS A 563 -12.218 0.520 -9.014 1.00 0.00 O ATOM 959 CB LYS A 563 -14.623 -1.236 -10.052 1.00 0.00 C ATOM 960 CG LYS A 563 -15.603 -0.130 -10.434 1.00 0.00 C ATOM 961 CD LYS A 563 -16.952 -0.282 -9.754 1.00 0.00 C ATOM 962 CE LYS A 563 -17.662 -1.567 -10.159 1.00 0.00 C ATOM 963 NZ LYS A 563 -19.005 -1.674 -9.526 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.902 -1.304 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.202 -1.849 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -13.835 -1.278 -10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -15.146 -2.191 -10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -15.174 0.837 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -15.743 -0.132 -11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -16.815 -0.271 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -17.581 0.572 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -17.767 -1.599 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -17.054 -2.425 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -19.410 -2.611 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -18.915 -1.549 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -19.630 -0.937 -9.911 1.00 0.00 H new ATOM 977 N GLU A 564 -14.008 1.186 -7.824 1.00 0.00 N ATOM 978 CA GLU A 564 -13.487 2.518 -7.573 1.00 0.00 C ATOM 979 C GLU A 564 -12.444 2.461 -6.460 1.00 0.00 C ATOM 980 O GLU A 564 -11.388 3.087 -6.548 1.00 0.00 O ATOM 981 CB GLU A 564 -14.618 3.476 -7.190 1.00 0.00 C ATOM 982 CG GLU A 564 -14.184 4.929 -7.145 1.00 0.00 C ATOM 983 CD GLU A 564 -13.833 5.473 -8.514 1.00 0.00 C ATOM 984 OE1 GLU A 564 -12.716 5.207 -9.002 1.00 0.00 O1- ATOM 985 OE2 GLU A 564 -14.672 6.181 -9.106 1.00 0.00 O ATOM 0 H GLU A 564 -14.928 1.010 -7.420 1.00 0.00 H new ATOM 0 HA GLU A 564 -13.019 2.890 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -15.433 3.369 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -15.011 3.191 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -14.984 5.530 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -13.321 5.027 -6.487 1.00 0.00 H new ATOM 992 N LEU A 565 -12.746 1.691 -5.421 1.00 0.00 N ATOM 993 CA LEU A 565 -11.818 1.460 -4.340 1.00 0.00 C ATOM 994 C LEU A 565 -10.568 0.789 -4.884 1.00 0.00 C ATOM 995 O LEU A 565 -9.441 1.219 -4.625 1.00 0.00 O ATOM 996 CB LEU A 565 -12.473 0.552 -3.307 1.00 0.00 C ATOM 997 CG LEU A 565 -12.357 1.004 -1.861 1.00 0.00 C ATOM 998 CD1 LEU A 565 -12.796 -0.121 -0.954 1.00 0.00 C ATOM 999 CD2 LEU A 565 -10.945 1.455 -1.546 1.00 0.00 C ATOM 0 H LEU A 565 -13.641 1.214 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 565 -11.547 2.409 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -13.530 0.456 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -12.033 -0.442 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 565 -13.008 1.862 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -12.715 0.197 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -13.831 -0.383 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -12.159 -0.990 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -10.888 1.774 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -10.254 0.628 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -10.676 2.288 -2.195 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.800 -0.265 -5.655 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.738 -1.012 -6.300 1.00 0.00 C ATOM 1013 C ALA A 566 -8.864 -0.110 -7.163 1.00 0.00 C ATOM 1014 O ALA A 566 -7.663 -0.335 -7.278 1.00 0.00 O ATOM 1015 CB ALA A 566 -10.346 -2.117 -7.145 1.00 0.00 C ATOM 0 H ALA A 566 -11.735 -0.624 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 566 -9.101 -1.444 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.551 -2.682 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -10.927 -2.784 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.997 -1.680 -7.902 1.00 0.00 H new ATOM 1021 N ASN A 567 -9.474 0.916 -7.747 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.778 1.813 -8.663 1.00 0.00 C ATOM 1023 C ASN A 567 -7.564 2.464 -7.995 1.00 0.00 C ATOM 1024 O ASN A 567 -6.475 2.488 -8.565 1.00 0.00 O ATOM 1025 CB ASN A 567 -9.741 2.884 -9.178 1.00 0.00 C ATOM 1026 CG ASN A 567 -9.116 3.788 -10.224 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -8.534 4.823 -9.901 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -9.249 3.414 -11.486 1.00 0.00 N ATOM 0 H ASN A 567 -10.456 1.148 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 567 -8.415 1.223 -9.504 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -10.621 2.400 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -10.084 3.490 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -8.862 3.991 -12.233 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -9.739 2.548 -11.712 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.751 2.977 -6.783 1.00 0.00 N ATOM 1036 CA ILE A 568 -6.659 3.604 -6.048 1.00 0.00 C ATOM 1037 C ILE A 568 -5.829 2.560 -5.306 1.00 0.00 C ATOM 1038 O ILE A 568 -4.601 2.627 -5.307 1.00 0.00 O ATOM 1039 CB ILE A 568 -7.162 4.690 -5.064 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -7.741 5.869 -5.855 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -6.037 5.160 -4.138 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -8.112 7.066 -5.005 1.00 0.00 C ATOM 0 H ILE A 568 -8.645 2.971 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 568 -6.026 4.098 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.944 4.260 -4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -7.013 6.181 -6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -8.627 5.531 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -6.419 5.922 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -5.663 4.314 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -5.226 5.579 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.513 7.854 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -8.864 6.773 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -7.226 7.434 -4.488 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.498 1.581 -4.696 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.801 0.531 -3.948 1.00 0.00 C ATOM 1056 C LEU A 569 -4.796 -0.237 -4.808 1.00 0.00 C ATOM 1057 O LEU A 569 -3.813 -0.768 -4.293 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.796 -0.447 -3.329 1.00 0.00 C ATOM 1059 CG LEU A 569 -7.506 0.049 -2.072 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -8.511 -0.987 -1.601 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -6.492 0.350 -0.973 1.00 0.00 C ATOM 0 H LEU A 569 -7.514 1.492 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 569 -5.244 1.036 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -7.549 -0.695 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -6.270 -1.371 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 569 -8.038 0.970 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -9.013 -0.625 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -9.249 -1.161 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -7.994 -1.920 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -7.014 0.703 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -5.936 -0.556 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -5.800 1.119 -1.317 1.00 0.00 H new ATOM 1073 N LYS A 570 -5.035 -0.303 -6.112 1.00 0.00 N ATOM 1074 CA LYS A 570 -4.124 -1.016 -7.002 1.00 0.00 C ATOM 1075 C LYS A 570 -2.865 -0.188 -7.273 1.00 0.00 C ATOM 1076 O LYS A 570 -1.881 -0.690 -7.807 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.813 -1.419 -8.313 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.238 -0.255 -9.193 1.00 0.00 C ATOM 1079 CD LYS A 570 -6.047 -0.728 -10.394 1.00 0.00 C ATOM 1080 CE LYS A 570 -5.237 -1.651 -11.289 1.00 0.00 C ATOM 1081 NZ LYS A 570 -5.986 -2.049 -12.506 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.840 0.122 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.824 -1.934 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -4.137 -2.058 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -5.693 -2.017 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -5.831 0.447 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -4.355 0.283 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -6.941 -1.248 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -6.382 0.135 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -4.312 -1.153 -11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -4.956 -2.543 -10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -5.396 -2.678 -13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -6.856 -2.548 -12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -6.232 -1.201 -13.055 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.901 1.083 -6.908 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.726 1.942 -7.016 1.00 0.00 C ATOM 1097 C TYR A 571 -0.836 1.754 -5.795 1.00 0.00 C ATOM 1098 O TYR A 571 0.351 2.055 -5.822 1.00 0.00 O ATOM 1099 CB TYR A 571 -2.154 3.407 -7.186 1.00 0.00 C ATOM 1100 CG TYR A 571 -1.045 4.426 -7.008 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.001 4.518 -7.919 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -1.048 5.298 -5.926 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.011 5.446 -7.755 1.00 0.00 C ATOM 1104 CE2 TYR A 571 -0.041 6.230 -5.756 1.00 0.00 C ATOM 1105 CZ TYR A 571 0.985 6.298 -6.673 1.00 0.00 C ATOM 1106 OH TYR A 571 1.991 7.217 -6.504 1.00 0.00 O ATOM 0 H TYR A 571 -3.729 1.546 -6.534 1.00 0.00 H new ATOM 0 HA TYR A 571 -1.150 1.663 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.584 3.531 -8.180 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.944 3.624 -6.468 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.024 3.853 -8.769 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.851 5.247 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 571 1.817 5.503 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 571 -0.059 6.901 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 571 2.755 6.973 -7.068 1.00 0.00 H new ATOM 1116 N HIS A 572 -1.416 1.207 -4.739 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.667 0.877 -3.535 1.00 0.00 C ATOM 1118 C HIS A 572 0.152 -0.387 -3.756 1.00 0.00 C ATOM 1119 O HIS A 572 1.002 -0.749 -2.943 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.620 0.675 -2.353 1.00 0.00 C ATOM 1121 CG HIS A 572 -2.093 1.951 -1.740 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.919 2.411 -0.482 1.00 0.00 N flip ATOM 1123 CD2 HIS A 572 -2.801 2.878 -2.462 1.00 0.00 C flip ATOM 1124 CE1 HIS A 572 -2.518 3.641 -0.420 1.00 0.00 C flip ATOM 1125 NE2 HIS A 572 -3.031 3.880 -1.638 1.00 0.00 N flip ATOM 0 H HIS A 572 -2.409 0.981 -4.691 1.00 0.00 H new ATOM 0 HA HIS A 572 0.006 1.704 -3.310 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -2.484 0.101 -2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -1.118 0.080 -1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 572 -1.434 1.933 0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -3.107 2.802 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -2.568 4.292 0.440 1.00 0.00 H new ATOM 1133 N ILE A 573 -0.115 -1.050 -4.869 1.00 0.00 N ATOM 1134 CA ILE A 573 0.510 -2.317 -5.177 1.00 0.00 C ATOM 1135 C ILE A 573 1.386 -2.208 -6.422 1.00 0.00 C ATOM 1136 O ILE A 573 0.903 -1.866 -7.502 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.558 -3.402 -5.403 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.437 -3.555 -4.159 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.097 -4.721 -5.769 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.610 -4.492 -4.350 1.00 0.00 C ATOM 0 H ILE A 573 -0.769 -0.723 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 573 1.136 -2.592 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 573 -1.195 -3.097 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.824 -3.919 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.812 -2.574 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.672 -5.478 -5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 573 0.677 -4.598 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 573 0.757 -5.036 -4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.185 -4.548 -3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -3.247 -4.119 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -2.244 -5.485 -4.611 1.00 0.00 H new ATOM 1152 N GLY A 574 2.673 -2.479 -6.259 1.00 0.00 N ATOM 1153 CA GLY A 574 3.573 -2.524 -7.395 1.00 0.00 C ATOM 1154 C GLY A 574 3.542 -3.870 -8.087 1.00 0.00 C ATOM 1155 O GLY A 574 3.106 -4.859 -7.496 1.00 0.00 O ATOM 0 H GLY A 574 3.112 -2.669 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.300 -1.744 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.589 -2.310 -7.062 1.00 0.00 H new ATOM 1159 N ASP A 575 4.023 -3.921 -9.325 1.00 0.00 N ATOM 1160 CA ASP A 575 3.942 -5.134 -10.132 1.00 0.00 C ATOM 1161 C ASP A 575 5.166 -6.031 -9.949 1.00 0.00 C ATOM 1162 O ASP A 575 5.284 -7.072 -10.601 1.00 0.00 O ATOM 1163 CB ASP A 575 3.732 -4.789 -11.617 1.00 0.00 C ATOM 1164 CG ASP A 575 4.769 -3.839 -12.196 1.00 0.00 C ATOM 1165 OD1 ASP A 575 5.765 -3.527 -11.516 1.00 0.00 O1- ATOM 1166 OD2 ASP A 575 4.574 -3.387 -13.350 1.00 0.00 O ATOM 0 H ASP A 575 4.474 -3.135 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 575 3.077 -5.697 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 575 3.740 -5.712 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 575 2.744 -4.345 -11.738 1.00 0.00 H new ATOM 1171 N GLU A 576 6.069 -5.631 -9.063 1.00 0.00 N ATOM 1172 CA GLU A 576 7.192 -6.468 -8.680 1.00 0.00 C ATOM 1173 C GLU A 576 7.771 -6.004 -7.365 1.00 0.00 C ATOM 1174 O GLU A 576 7.399 -4.946 -6.860 1.00 0.00 O ATOM 1175 CB GLU A 576 8.262 -6.502 -9.766 1.00 0.00 C ATOM 1176 CG GLU A 576 8.809 -5.142 -10.158 1.00 0.00 C ATOM 1177 CD GLU A 576 9.790 -5.237 -11.305 1.00 0.00 C ATOM 1178 OE1 GLU A 576 9.350 -5.157 -12.470 1.00 0.00 O ATOM 1179 OE2 GLU A 576 11.000 -5.414 -11.050 1.00 0.00 O1- ATOM 0 H GLU A 576 6.042 -4.725 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 576 6.824 -7.486 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 576 9.088 -7.126 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 576 7.846 -6.981 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 576 7.985 -4.487 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.300 -4.686 -9.298 1.00 0.00 H new ATOM 1186 N ILE A 577 8.671 -6.799 -6.811 1.00 0.00 N ATOM 1187 CA ILE A 577 9.114 -6.589 -5.450 1.00 0.00 C ATOM 1188 C ILE A 577 10.297 -5.616 -5.369 1.00 0.00 C ATOM 1189 O ILE A 577 11.316 -5.803 -6.037 1.00 0.00 O ATOM 1190 CB ILE A 577 9.508 -7.921 -4.776 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.354 -8.927 -4.857 1.00 0.00 C ATOM 1192 CG2 ILE A 577 9.905 -7.684 -3.325 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.729 -10.310 -4.371 1.00 0.00 C ATOM 0 H ILE A 577 9.106 -7.592 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 577 8.269 -6.150 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 577 10.365 -8.336 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.516 -8.557 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 577 8.011 -8.993 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 577 10.180 -8.632 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.754 -7.002 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 577 9.065 -7.248 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 577 7.867 -10.972 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.546 -10.700 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 577 9.044 -10.256 -3.329 1.00 0.00 H new ATOM 1205 N LEU A 578 10.145 -4.581 -4.552 1.00 0.00 N ATOM 1206 CA LEU A 578 11.226 -3.646 -4.264 1.00 0.00 C ATOM 1207 C LEU A 578 11.478 -3.645 -2.759 1.00 0.00 C ATOM 1208 O LEU A 578 10.812 -2.932 -2.012 1.00 0.00 O ATOM 1209 CB LEU A 578 10.861 -2.230 -4.743 1.00 0.00 C ATOM 1210 CG LEU A 578 12.040 -1.309 -5.099 1.00 0.00 C ATOM 1211 CD1 LEU A 578 11.529 0.028 -5.617 1.00 0.00 C ATOM 1212 CD2 LEU A 578 12.955 -1.086 -3.903 1.00 0.00 C ATOM 0 H LEU A 578 9.271 -4.366 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 578 12.127 -3.956 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.219 -2.320 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.271 -1.746 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 578 12.619 -1.801 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 578 12.375 0.669 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 578 10.923 -0.135 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 578 10.922 0.508 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 578 13.777 -0.431 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 578 12.390 -0.625 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 578 13.355 -2.043 -3.567 1.00 0.00 H new ATOM 1224 N VAL A 579 12.417 -4.467 -2.317 1.00 0.00 N ATOM 1225 CA VAL A 579 12.685 -4.620 -0.892 1.00 0.00 C ATOM 1226 C VAL A 579 13.497 -3.456 -0.341 1.00 0.00 C ATOM 1227 O VAL A 579 14.075 -2.674 -1.096 1.00 0.00 O ATOM 1228 CB VAL A 579 13.423 -5.936 -0.586 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.525 -7.124 -0.863 1.00 0.00 C ATOM 1230 CG2 VAL A 579 14.709 -6.037 -1.393 1.00 0.00 C ATOM 0 H VAL A 579 13.007 -5.039 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 579 11.711 -4.637 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 579 13.686 -5.941 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 579 13.063 -8.046 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 579 11.636 -7.062 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.229 -7.120 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.212 -6.975 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.474 -6.006 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.363 -5.202 -1.141 1.00 0.00 H new ATOM 1240 N SER A 580 13.549 -3.363 0.983 1.00 0.00 N ATOM 1241 CA SER A 580 14.262 -2.287 1.656 1.00 0.00 C ATOM 1242 C SER A 580 15.754 -2.323 1.333 1.00 0.00 C ATOM 1243 O SER A 580 16.421 -1.287 1.350 1.00 0.00 O ATOM 1244 CB SER A 580 14.050 -2.366 3.169 1.00 0.00 C ATOM 1245 OG SER A 580 14.574 -1.222 3.826 1.00 0.00 O ATOM 0 H SER A 580 13.101 -4.027 1.615 1.00 0.00 H new ATOM 0 HA SER A 580 13.858 -1.343 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 580 12.985 -2.455 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 580 14.531 -3.263 3.559 1.00 0.00 H new ATOM 0 HG SER A 580 14.422 -1.301 4.791 1.00 0.00 H new ATOM 1251 N GLY A 581 16.272 -3.512 1.043 1.00 0.00 N ATOM 1252 CA GLY A 581 17.659 -3.639 0.637 1.00 0.00 C ATOM 1253 C GLY A 581 17.909 -3.040 -0.734 1.00 0.00 C ATOM 1254 O GLY A 581 19.054 -2.813 -1.127 1.00 0.00 O ATOM 0 H GLY A 581 15.755 -4.391 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.297 -3.145 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 581 17.939 -4.692 0.628 1.00 0.00 H new ATOM 1258 N GLY A 582 16.831 -2.782 -1.464 1.00 0.00 N ATOM 1259 CA GLY A 582 16.941 -2.182 -2.776 1.00 0.00 C ATOM 1260 C GLY A 582 16.652 -0.694 -2.747 1.00 0.00 C ATOM 1261 O GLY A 582 17.087 0.043 -3.631 1.00 0.00 O ATOM 0 H GLY A 582 15.876 -2.980 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.944 -2.349 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 582 16.247 -2.673 -3.458 1.00 0.00 H new ATOM 1265 N ILE A 583 15.920 -0.259 -1.722 1.00 0.00 N ATOM 1266 CA ILE A 583 15.558 1.145 -1.551 1.00 0.00 C ATOM 1267 C ILE A 583 16.807 2.019 -1.429 1.00 0.00 C ATOM 1268 O ILE A 583 17.537 1.950 -0.441 1.00 0.00 O ATOM 1269 CB ILE A 583 14.659 1.322 -0.300 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.396 0.472 -0.448 1.00 0.00 C ATOM 1271 CG2 ILE A 583 14.287 2.784 -0.067 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.501 0.496 0.767 1.00 0.00 C ATOM 0 H ILE A 583 15.562 -0.870 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 583 15.002 1.462 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 583 15.226 0.989 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.831 0.824 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.685 -0.558 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.657 2.862 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 583 15.194 3.371 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 583 13.744 3.164 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.626 -0.129 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 583 13.048 0.115 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 583 12.181 1.519 0.963 1.00 0.00 H new ATOM 1284 N GLY A 584 17.057 2.817 -2.461 1.00 0.00 N ATOM 1285 CA GLY A 584 18.205 3.701 -2.465 1.00 0.00 C ATOM 1286 C GLY A 584 17.787 5.157 -2.448 1.00 0.00 C ATOM 1287 O GLY A 584 16.687 5.469 -1.999 1.00 0.00 O ATOM 0 H GLY A 584 16.480 2.866 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 584 18.830 3.491 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 584 18.812 3.506 -3.349 1.00 0.00 H new ATOM 1291 N ALA A 585 18.644 6.039 -2.966 1.00 0.00 N ATOM 1292 CA ALA A 585 18.367 7.476 -2.984 1.00 0.00 C ATOM 1293 C ALA A 585 16.989 7.754 -3.573 1.00 0.00 C ATOM 1294 O ALA A 585 16.196 8.495 -2.993 1.00 0.00 O ATOM 1295 CB ALA A 585 19.434 8.217 -3.775 1.00 0.00 C ATOM 0 H ALA A 585 19.540 5.781 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 585 18.382 7.835 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.210 9.284 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.408 8.051 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.449 7.848 -4.800 1.00 0.00 H new ATOM 1301 N LEU A 586 16.707 7.148 -4.719 1.00 0.00 N ATOM 1302 CA LEU A 586 15.380 7.209 -5.313 1.00 0.00 C ATOM 1303 C LEU A 586 15.251 6.133 -6.381 1.00 0.00 C ATOM 1304 O LEU A 586 15.968 6.140 -7.382 1.00 0.00 O ATOM 1305 CB LEU A 586 15.098 8.596 -5.919 1.00 0.00 C ATOM 1306 CG LEU A 586 13.612 8.980 -6.047 1.00 0.00 C ATOM 1307 CD1 LEU A 586 13.478 10.453 -6.395 1.00 0.00 C ATOM 1308 CD2 LEU A 586 12.908 8.132 -7.100 1.00 0.00 C ATOM 0 H LEU A 586 17.384 6.607 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 586 14.644 7.036 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.597 9.348 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.552 8.638 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 586 13.135 8.792 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 586 12.423 10.712 -6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 586 13.935 11.055 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 586 13.980 10.650 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 586 11.861 8.428 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.388 8.280 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 586 12.971 7.080 -6.821 1.00 0.00 H new ATOM 1320 N VAL A 587 14.345 5.205 -6.148 1.00 0.00 N ATOM 1321 CA VAL A 587 14.038 4.171 -7.109 1.00 0.00 C ATOM 1322 C VAL A 587 12.526 4.046 -7.236 1.00 0.00 C ATOM 1323 O VAL A 587 11.820 3.869 -6.246 1.00 0.00 O ATOM 1324 CB VAL A 587 14.672 2.818 -6.709 1.00 0.00 C ATOM 1325 CG1 VAL A 587 14.231 2.404 -5.318 1.00 0.00 C ATOM 1326 CG2 VAL A 587 14.335 1.741 -7.730 1.00 0.00 C ATOM 0 H VAL A 587 13.802 5.148 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 587 14.464 4.448 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 587 15.755 2.942 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 587 14.690 1.450 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 587 14.540 3.162 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 587 13.146 2.303 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 587 14.791 0.798 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 587 13.253 1.619 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 587 14.719 2.033 -8.707 1.00 0.00 H new ATOM 1336 N ARG A 588 12.020 4.182 -8.445 1.00 0.00 N ATOM 1337 CA ARG A 588 10.588 4.191 -8.640 1.00 0.00 C ATOM 1338 C ARG A 588 10.089 2.816 -9.052 1.00 0.00 C ATOM 1339 O ARG A 588 10.628 2.180 -9.958 1.00 0.00 O ATOM 1340 CB ARG A 588 10.162 5.267 -9.648 1.00 0.00 C ATOM 1341 CG ARG A 588 10.503 4.977 -11.104 1.00 0.00 C ATOM 1342 CD ARG A 588 11.969 5.214 -11.420 1.00 0.00 C ATOM 1343 NE ARG A 588 12.230 5.091 -12.855 1.00 0.00 N ATOM 1344 CZ ARG A 588 13.407 5.336 -13.427 1.00 0.00 C ATOM 1345 NH1 ARG A 588 14.442 5.727 -12.699 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 13.551 5.200 -14.739 1.00 0.00 N ATOM 0 H ARG A 588 12.572 4.286 -9.296 1.00 0.00 H new ATOM 0 HA ARG A 588 10.125 4.444 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 588 9.084 5.409 -9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 588 10.630 6.210 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 588 10.249 3.942 -11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 588 9.890 5.607 -11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 588 12.261 6.207 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 588 12.582 4.497 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 588 11.460 4.798 -13.456 1.00 0.00 H new ATOM 0 HH11 ARG A 588 14.342 5.843 -11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 588 15.340 5.912 -13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 588 12.759 4.907 -15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 588 14.454 5.388 -15.175 1.00 0.00 H new ATOM 1360 N LEU A 589 9.073 2.362 -8.350 1.00 0.00 N ATOM 1361 CA LEU A 589 8.491 1.062 -8.573 1.00 0.00 C ATOM 1362 C LEU A 589 7.094 1.231 -9.164 1.00 0.00 C ATOM 1363 O LEU A 589 6.229 1.857 -8.558 1.00 0.00 O ATOM 1364 CB LEU A 589 8.448 0.334 -7.231 1.00 0.00 C ATOM 1365 CG LEU A 589 8.087 -1.150 -7.248 1.00 0.00 C ATOM 1366 CD1 LEU A 589 6.604 -1.338 -7.035 1.00 0.00 C ATOM 1367 CD2 LEU A 589 8.511 -1.815 -8.545 1.00 0.00 C ATOM 0 H LEU A 589 8.626 2.892 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 589 9.081 0.477 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 589 9.426 0.438 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 589 7.730 0.848 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 589 8.630 -1.626 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 589 6.366 -2.402 -7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 589 6.318 -0.916 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 589 6.055 -0.832 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 589 8.237 -2.870 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 589 8.010 -1.330 -9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 589 9.590 -1.723 -8.665 1.00 0.00 H new ATOM 1379 N LYS A 590 6.887 0.692 -10.353 1.00 0.00 N ATOM 1380 CA LYS A 590 5.614 0.840 -11.047 1.00 0.00 C ATOM 1381 C LYS A 590 4.499 0.101 -10.320 1.00 0.00 C ATOM 1382 O LYS A 590 4.718 -0.952 -9.724 1.00 0.00 O ATOM 1383 CB LYS A 590 5.726 0.346 -12.488 1.00 0.00 C ATOM 1384 CG LYS A 590 4.387 0.246 -13.195 1.00 0.00 C ATOM 1385 CD LYS A 590 4.548 -0.144 -14.645 1.00 0.00 C ATOM 1386 CE LYS A 590 3.231 -0.627 -15.237 1.00 0.00 C ATOM 1387 NZ LYS A 590 2.687 -1.802 -14.496 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.584 0.147 -10.861 1.00 0.00 H new ATOM 0 HA LYS A 590 5.364 1.901 -11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 590 6.374 1.021 -13.047 1.00 0.00 H new ATOM 0 HB3 LYS A 590 6.205 -0.633 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 590 3.762 -0.489 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 590 3.869 1.203 -13.131 1.00 0.00 H new ATOM 0 HD2 LYS A 590 4.914 0.710 -15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 590 5.298 -0.930 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 590 2.504 0.185 -15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 590 3.379 -0.894 -16.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.030 -2.325 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 3.469 -2.427 -14.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 2.182 -1.474 -13.648 1.00 0.00 H new ATOM 1401 N SER A 591 3.301 0.657 -10.396 1.00 0.00 N ATOM 1402 CA SER A 591 2.161 0.106 -9.685 1.00 0.00 C ATOM 1403 C SER A 591 1.203 -0.585 -10.649 1.00 0.00 C ATOM 1404 O SER A 591 1.477 -0.698 -11.850 1.00 0.00 O ATOM 1405 CB SER A 591 1.420 1.220 -8.952 1.00 0.00 C ATOM 1406 OG SER A 591 0.774 2.071 -9.881 1.00 0.00 O ATOM 0 H SER A 591 3.093 1.492 -10.945 1.00 0.00 H new ATOM 0 HA SER A 591 2.529 -0.628 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 591 0.686 0.791 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.120 1.795 -8.347 1.00 0.00 H new ATOM 0 HG SER A 591 1.446 2.519 -10.436 1.00 0.00 H new ATOM 1412 N LEU A 592 0.076 -1.029 -10.119 1.00 0.00 N ATOM 1413 CA LEU A 592 -0.973 -1.630 -10.932 1.00 0.00 C ATOM 1414 C LEU A 592 -1.845 -0.558 -11.583 1.00 0.00 C ATOM 1415 O LEU A 592 -2.228 -0.685 -12.744 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.858 -2.550 -10.094 1.00 0.00 C ATOM 1417 CG LEU A 592 -1.141 -3.669 -9.336 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -2.149 -4.492 -8.548 1.00 0.00 C ATOM 1419 CD2 LEU A 592 -0.351 -4.555 -10.286 1.00 0.00 C ATOM 0 H LEU A 592 -0.139 -0.985 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.481 -2.215 -11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.400 -1.940 -9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.601 -3.002 -10.751 1.00 0.00 H new ATOM 0 HG LEU A 592 -0.435 -3.216 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 592 -1.630 -5.286 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -2.665 -3.849 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 592 -2.875 -4.931 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 592 0.148 -5.341 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -1.028 -5.005 -11.012 1.00 0.00 H new ATOM 0 HD23 LEU A 592 0.394 -3.955 -10.808 1.00 0.00 H new ATOM 1431 N GLN A 593 -2.172 0.489 -10.820 1.00 0.00 N ATOM 1432 CA GLN A 593 -3.038 1.567 -11.314 1.00 0.00 C ATOM 1433 C GLN A 593 -2.437 2.229 -12.548 1.00 0.00 C ATOM 1434 O GLN A 593 -3.153 2.710 -13.423 1.00 0.00 O ATOM 1435 CB GLN A 593 -3.257 2.619 -10.227 1.00 0.00 C ATOM 1436 CG GLN A 593 -4.136 3.775 -10.675 1.00 0.00 C ATOM 1437 CD GLN A 593 -4.204 4.908 -9.665 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -3.411 5.849 -9.717 1.00 0.00 O ATOM 1439 NE2 GLN A 593 -5.145 4.831 -8.737 1.00 0.00 N ATOM 0 H GLN A 593 -1.852 0.614 -9.860 1.00 0.00 H new ATOM 0 HA GLN A 593 -3.996 1.124 -11.585 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.710 2.143 -9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -2.290 3.009 -9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -3.758 4.164 -11.621 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -5.144 3.404 -10.862 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.785 4.037 -8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -5.230 5.566 -8.035 1.00 0.00 H new ATOM 1448 N GLY A 594 -1.121 2.226 -12.619 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.454 2.653 -13.829 1.00 0.00 C ATOM 1450 C GLY A 594 0.584 3.730 -13.600 1.00 0.00 C ATOM 1451 O GLY A 594 1.401 3.991 -14.480 1.00 0.00 O ATOM 0 H GLY A 594 -0.500 1.936 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 594 0.025 1.791 -14.293 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -1.199 3.022 -14.534 1.00 0.00 H new ATOM 1455 N ASP A 595 0.575 4.358 -12.432 1.00 0.00 N ATOM 1456 CA ASP A 595 1.592 5.354 -12.131 1.00 0.00 C ATOM 1457 C ASP A 595 2.793 4.677 -11.468 1.00 0.00 C ATOM 1458 O ASP A 595 2.934 3.451 -11.527 1.00 0.00 O ATOM 1459 CB ASP A 595 1.028 6.463 -11.237 1.00 0.00 C ATOM 1460 CG ASP A 595 1.726 7.798 -11.463 1.00 0.00 C ATOM 1461 OD1 ASP A 595 2.840 7.999 -10.931 1.00 0.00 O1- ATOM 1462 OD2 ASP A 595 1.173 8.647 -12.192 1.00 0.00 O ATOM 0 H ASP A 595 -0.109 4.200 -11.692 1.00 0.00 H new ATOM 0 HA ASP A 595 1.916 5.818 -13.063 1.00 0.00 H new ATOM 0 HB2 ASP A 595 -0.039 6.576 -11.431 1.00 0.00 H new ATOM 0 HB3 ASP A 595 1.133 6.173 -10.192 1.00 0.00 H new ATOM 1467 N LYS A 596 3.650 5.468 -10.853 1.00 0.00 N ATOM 1468 CA LYS A 596 4.878 4.970 -10.261 1.00 0.00 C ATOM 1469 C LYS A 596 4.923 5.271 -8.770 1.00 0.00 C ATOM 1470 O LYS A 596 4.562 6.367 -8.341 1.00 0.00 O ATOM 1471 CB LYS A 596 6.079 5.627 -10.946 1.00 0.00 C ATOM 1472 CG LYS A 596 5.884 7.119 -11.164 1.00 0.00 C ATOM 1473 CD LYS A 596 7.182 7.897 -11.068 1.00 0.00 C ATOM 1474 CE LYS A 596 6.929 9.386 -11.244 1.00 0.00 C ATOM 1475 NZ LYS A 596 5.894 9.892 -10.301 1.00 0.00 N1+ ATOM 0 H LYS A 596 3.516 6.474 -10.749 1.00 0.00 H new ATOM 0 HA LYS A 596 4.914 3.889 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 596 6.971 5.466 -10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 596 6.254 5.143 -11.907 1.00 0.00 H new ATOM 0 HG2 LYS A 596 5.438 7.284 -12.145 1.00 0.00 H new ATOM 0 HG3 LYS A 596 5.180 7.501 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 596 7.651 7.714 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 596 7.878 7.548 -11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 596 7.859 9.932 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 596 6.612 9.581 -12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 5.056 10.197 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 5.626 9.135 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 6.276 10.699 -9.767 1.00 0.00 H new ATOM 1489 N LEU A 597 5.358 4.298 -7.987 1.00 0.00 N ATOM 1490 CA LEU A 597 5.596 4.512 -6.570 1.00 0.00 C ATOM 1491 C LEU A 597 6.989 5.090 -6.388 1.00 0.00 C ATOM 1492 O LEU A 597 7.989 4.442 -6.713 1.00 0.00 O ATOM 1493 CB LEU A 597 5.455 3.201 -5.788 1.00 0.00 C ATOM 1494 CG LEU A 597 4.080 2.538 -5.880 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.062 1.231 -5.100 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.004 3.478 -5.363 1.00 0.00 C ATOM 0 H LEU A 597 5.554 3.350 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 597 4.854 5.210 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.206 2.498 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 597 5.678 3.395 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 597 3.875 2.316 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.075 0.775 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 597 4.809 0.552 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.289 1.429 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.031 2.992 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.209 3.728 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 597 2.999 4.389 -5.961 1.00 0.00 H new ATOM 1508 N GLU A 598 7.053 6.308 -5.883 1.00 0.00 N ATOM 1509 CA GLU A 598 8.320 7.012 -5.751 1.00 0.00 C ATOM 1510 C GLU A 598 9.002 6.628 -4.453 1.00 0.00 C ATOM 1511 O GLU A 598 8.774 7.255 -3.429 1.00 0.00 O ATOM 1512 CB GLU A 598 8.100 8.524 -5.783 1.00 0.00 C ATOM 1513 CG GLU A 598 7.366 9.012 -7.020 1.00 0.00 C ATOM 1514 CD GLU A 598 7.162 10.512 -7.023 1.00 0.00 C ATOM 1515 OE1 GLU A 598 7.438 11.157 -5.991 1.00 0.00 O1- ATOM 1516 OE2 GLU A 598 6.728 11.050 -8.063 1.00 0.00 O ATOM 0 H GLU A 598 6.242 6.833 -5.556 1.00 0.00 H new ATOM 0 HA GLU A 598 8.956 6.728 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.536 8.818 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 598 9.067 9.024 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 598 7.928 8.724 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 598 6.397 8.517 -7.081 1.00 0.00 H new ATOM 1523 N VAL A 599 9.814 5.587 -4.496 1.00 0.00 N ATOM 1524 CA VAL A 599 10.479 5.094 -3.308 1.00 0.00 C ATOM 1525 C VAL A 599 11.847 5.756 -3.122 1.00 0.00 C ATOM 1526 O VAL A 599 12.708 5.680 -4.000 1.00 0.00 O ATOM 1527 CB VAL A 599 10.647 3.562 -3.368 1.00 0.00 C ATOM 1528 CG1 VAL A 599 11.280 3.037 -2.089 1.00 0.00 C ATOM 1529 CG2 VAL A 599 9.308 2.891 -3.615 1.00 0.00 C ATOM 0 H VAL A 599 10.028 5.066 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 599 9.851 5.349 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 599 11.312 3.324 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 599 11.388 1.954 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 599 12.261 3.493 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 599 10.645 3.287 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 599 9.444 1.810 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.621 3.141 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 599 8.896 3.240 -4.562 1.00 0.00 H new ATOM 1539 N SER A 600 12.044 6.405 -1.981 1.00 0.00 N ATOM 1540 CA SER A 600 13.290 7.099 -1.701 1.00 0.00 C ATOM 1541 C SER A 600 13.827 6.656 -0.343 1.00 0.00 C ATOM 1542 O SER A 600 13.070 6.182 0.494 1.00 0.00 O ATOM 1543 CB SER A 600 13.039 8.618 -1.726 1.00 0.00 C ATOM 1544 OG SER A 600 14.228 9.366 -1.516 1.00 0.00 O ATOM 0 H SER A 600 11.353 6.464 -1.233 1.00 0.00 H new ATOM 0 HA SER A 600 14.034 6.855 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 600 12.603 8.896 -2.685 1.00 0.00 H new ATOM 0 HB3 SER A 600 12.310 8.876 -0.958 1.00 0.00 H new ATOM 0 HG SER A 600 14.811 9.279 -2.299 1.00 0.00 H new ATOM 1550 N LEU A 601 15.129 6.756 -0.151 1.00 0.00 N ATOM 1551 CA LEU A 601 15.737 6.467 1.136 1.00 0.00 C ATOM 1552 C LEU A 601 16.580 7.647 1.585 1.00 0.00 C ATOM 1553 O LEU A 601 17.409 8.150 0.824 1.00 0.00 O ATOM 1554 CB LEU A 601 16.620 5.221 1.054 1.00 0.00 C ATOM 1555 CG LEU A 601 17.216 4.766 2.385 1.00 0.00 C ATOM 1556 CD1 LEU A 601 16.122 4.267 3.314 1.00 0.00 C ATOM 1557 CD2 LEU A 601 18.271 3.692 2.162 1.00 0.00 C ATOM 0 H LEU A 601 15.790 7.037 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 601 14.939 6.286 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 601 16.032 4.403 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 601 17.434 5.416 0.356 1.00 0.00 H new ATOM 0 HG LEU A 601 17.700 5.621 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 601 16.564 3.947 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 601 15.409 5.070 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 601 15.607 3.426 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 601 18.683 3.382 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 601 17.817 2.833 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 601 19.070 4.091 1.536 1.00 0.00 H new ATOM 1569 N LYS A 602 16.362 8.100 2.807 1.00 0.00 N ATOM 1570 CA LYS A 602 17.150 9.183 3.363 1.00 0.00 C ATOM 1571 C LYS A 602 17.321 8.992 4.864 1.00 0.00 C ATOM 1572 O LYS A 602 16.395 9.232 5.638 1.00 0.00 O ATOM 1573 CB LYS A 602 16.485 10.523 3.048 1.00 0.00 C ATOM 1574 CG LYS A 602 17.414 11.716 3.186 1.00 0.00 C ATOM 1575 CD LYS A 602 16.829 12.940 2.502 1.00 0.00 C ATOM 1576 CE LYS A 602 16.578 12.678 1.018 1.00 0.00 C ATOM 1577 NZ LYS A 602 17.835 12.412 0.266 1.00 0.00 N1+ ATOM 0 H LYS A 602 15.645 7.734 3.433 1.00 0.00 H new ATOM 0 HA LYS A 602 18.141 9.178 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 602 16.095 10.494 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 602 15.632 10.660 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 602 17.583 11.930 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 602 18.384 11.479 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 602 15.894 13.219 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 602 17.511 13.783 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 602 15.907 11.826 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 602 16.072 13.539 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 17.626 12.358 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 18.513 13.181 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 18.245 11.511 0.583 1.00 0.00 H new ATOM 1591 N ASN A 603 18.506 8.526 5.251 1.00 0.00 N ATOM 1592 CA ASN A 603 18.821 8.220 6.653 1.00 0.00 C ATOM 1593 C ASN A 603 17.852 7.173 7.200 1.00 0.00 C ATOM 1594 O ASN A 603 17.140 7.406 8.177 1.00 0.00 O ATOM 1595 CB ASN A 603 18.811 9.494 7.518 1.00 0.00 C ATOM 1596 CG ASN A 603 19.352 9.265 8.923 1.00 0.00 C ATOM 1597 OD1 ASN A 603 18.597 9.046 9.875 1.00 0.00 O ATOM 1598 ND2 ASN A 603 20.669 9.309 9.059 1.00 0.00 N ATOM 0 H ASN A 603 19.277 8.349 4.607 1.00 0.00 H new ATOM 0 HA ASN A 603 19.829 7.807 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 603 19.406 10.264 7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 603 17.791 9.873 7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 603 21.092 9.159 9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 603 21.260 9.493 8.248 1.00 0.00 H new ATOM 1605 N ASN A 604 17.812 6.026 6.516 1.00 0.00 N ATOM 1606 CA ASN A 604 16.951 4.888 6.879 1.00 0.00 C ATOM 1607 C ASN A 604 15.461 5.204 6.670 1.00 0.00 C ATOM 1608 O ASN A 604 14.625 4.301 6.632 1.00 0.00 O ATOM 1609 CB ASN A 604 17.198 4.449 8.333 1.00 0.00 C ATOM 1610 CG ASN A 604 16.504 3.144 8.687 1.00 0.00 C ATOM 1611 OD1 ASN A 604 16.458 2.216 7.743 1.00 0.00 O flip ATOM 1612 ND2 ASN A 604 16.039 2.957 9.811 1.00 0.00 N flip ATOM 0 H ASN A 604 18.380 5.856 5.686 1.00 0.00 H new ATOM 0 HA ASN A 604 17.216 4.067 6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 604 18.270 4.339 8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 604 16.851 5.233 9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 604 16.092 3.694 10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 604 15.601 2.065 10.040 1.00 0.00 H new ATOM 1619 N VAL A 605 15.134 6.475 6.507 1.00 0.00 N ATOM 1620 CA VAL A 605 13.757 6.880 6.301 1.00 0.00 C ATOM 1621 C VAL A 605 13.380 6.709 4.840 1.00 0.00 C ATOM 1622 O VAL A 605 13.887 7.416 3.969 1.00 0.00 O ATOM 1623 CB VAL A 605 13.517 8.345 6.724 1.00 0.00 C ATOM 1624 CG1 VAL A 605 12.054 8.731 6.538 1.00 0.00 C ATOM 1625 CG2 VAL A 605 13.951 8.564 8.165 1.00 0.00 C ATOM 0 H VAL A 605 15.805 7.243 6.514 1.00 0.00 H new ATOM 0 HA VAL A 605 13.132 6.242 6.926 1.00 0.00 H new ATOM 0 HB VAL A 605 14.121 8.987 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 605 11.910 9.768 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 605 11.779 8.619 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 605 11.426 8.082 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 605 13.774 9.603 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 605 13.378 7.909 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 605 15.013 8.338 8.264 1.00 0.00 H new ATOM 1635 N VAL A 606 12.519 5.744 4.579 1.00 0.00 N ATOM 1636 CA VAL A 606 12.023 5.514 3.238 1.00 0.00 C ATOM 1637 C VAL A 606 10.928 6.517 2.914 1.00 0.00 C ATOM 1638 O VAL A 606 10.080 6.808 3.751 1.00 0.00 O ATOM 1639 CB VAL A 606 11.486 4.074 3.072 1.00 0.00 C ATOM 1640 CG1 VAL A 606 11.011 3.825 1.646 1.00 0.00 C ATOM 1641 CG2 VAL A 606 12.557 3.064 3.458 1.00 0.00 C ATOM 0 H VAL A 606 12.148 5.105 5.282 1.00 0.00 H new ATOM 0 HA VAL A 606 12.854 5.643 2.544 1.00 0.00 H new ATOM 0 HB VAL A 606 10.631 3.953 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 606 10.639 2.804 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.212 4.525 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 606 11.842 3.968 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 606 12.165 2.054 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 606 13.429 3.195 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 606 12.845 3.219 4.498 1.00 0.00 H new ATOM 1651 N SER A 607 10.967 7.068 1.720 1.00 0.00 N ATOM 1652 CA SER A 607 9.979 8.041 1.306 1.00 0.00 C ATOM 1653 C SER A 607 9.296 7.608 0.024 1.00 0.00 C ATOM 1654 O SER A 607 9.906 7.612 -1.032 1.00 0.00 O ATOM 1655 CB SER A 607 10.632 9.409 1.128 1.00 0.00 C ATOM 1656 OG SER A 607 11.284 9.815 2.319 1.00 0.00 O ATOM 0 H SER A 607 11.675 6.858 1.016 1.00 0.00 H new ATOM 0 HA SER A 607 9.219 8.112 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 607 11.351 9.370 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 607 9.876 10.145 0.853 1.00 0.00 H new ATOM 0 HG SER A 607 11.697 10.693 2.183 1.00 0.00 H new ATOM 1662 N VAL A 608 8.033 7.230 0.129 1.00 0.00 N ATOM 1663 CA VAL A 608 7.278 6.789 -1.021 1.00 0.00 C ATOM 1664 C VAL A 608 6.169 7.779 -1.339 1.00 0.00 C ATOM 1665 O VAL A 608 5.425 8.192 -0.450 1.00 0.00 O ATOM 1666 CB VAL A 608 6.680 5.383 -0.807 1.00 0.00 C ATOM 1667 CG1 VAL A 608 5.711 5.368 0.362 1.00 0.00 C ATOM 1668 CG2 VAL A 608 6.003 4.889 -2.073 1.00 0.00 C ATOM 0 H VAL A 608 7.511 7.222 1.005 1.00 0.00 H new ATOM 0 HA VAL A 608 7.968 6.737 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 608 7.500 4.705 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.307 4.363 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.233 5.665 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 608 4.896 6.065 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.588 3.896 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 608 5.201 5.574 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 608 6.733 4.842 -2.881 1.00 0.00 H new ATOM 1678 N ASN A 609 6.105 8.195 -2.599 1.00 0.00 N ATOM 1679 CA ASN A 609 5.038 9.072 -3.087 1.00 0.00 C ATOM 1680 C ASN A 609 4.997 10.374 -2.289 1.00 0.00 C ATOM 1681 O ASN A 609 3.948 11.001 -2.142 1.00 0.00 O ATOM 1682 CB ASN A 609 3.693 8.347 -3.015 1.00 0.00 C ATOM 1683 CG ASN A 609 3.726 7.006 -3.708 1.00 0.00 C ATOM 1684 OD1 ASN A 609 4.469 6.797 -4.668 1.00 0.00 O ATOM 1685 ND2 ASN A 609 2.931 6.085 -3.206 1.00 0.00 N ATOM 0 H ASN A 609 6.787 7.937 -3.312 1.00 0.00 H new ATOM 0 HA ASN A 609 5.243 9.326 -4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.414 8.207 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 609 2.923 8.970 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 609 2.913 5.150 -3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 609 2.333 6.306 -2.410 1.00 0.00 H new ATOM 1692 N LYS A 610 6.175 10.765 -1.796 1.00 0.00 N ATOM 1693 CA LYS A 610 6.371 11.991 -1.024 1.00 0.00 C ATOM 1694 C LYS A 610 5.817 11.881 0.398 1.00 0.00 C ATOM 1695 O LYS A 610 5.535 12.897 1.038 1.00 0.00 O ATOM 1696 CB LYS A 610 5.779 13.219 -1.738 1.00 0.00 C ATOM 1697 CG LYS A 610 6.413 13.519 -3.091 1.00 0.00 C ATOM 1698 CD LYS A 610 7.931 13.389 -3.047 1.00 0.00 C ATOM 1699 CE LYS A 610 8.585 14.009 -4.274 1.00 0.00 C ATOM 1700 NZ LYS A 610 7.886 13.646 -5.535 1.00 0.00 N1+ ATOM 0 H LYS A 610 7.033 10.228 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 610 7.450 12.129 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 610 4.709 13.064 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 610 5.894 14.091 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 610 6.011 12.836 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 610 6.144 14.528 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 610 8.312 13.873 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 610 8.204 12.336 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 610 8.596 15.094 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 610 9.624 13.684 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 8.543 13.742 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 7.553 12.663 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 7.073 14.279 -5.676 1.00 0.00 H new ATOM 1714 N GLU A 611 5.676 10.660 0.899 1.00 0.00 N ATOM 1715 CA GLU A 611 5.344 10.461 2.304 1.00 0.00 C ATOM 1716 C GLU A 611 6.376 9.529 2.948 1.00 0.00 C ATOM 1717 O GLU A 611 6.965 8.680 2.271 1.00 0.00 O ATOM 1718 CB GLU A 611 3.914 9.920 2.480 1.00 0.00 C ATOM 1719 CG GLU A 611 3.829 8.419 2.702 1.00 0.00 C ATOM 1720 CD GLU A 611 2.559 8.004 3.421 1.00 0.00 C ATOM 1721 OE1 GLU A 611 2.557 7.989 4.676 1.00 0.00 O1- ATOM 1722 OE2 GLU A 611 1.568 7.678 2.743 1.00 0.00 O ATOM 0 H GLU A 611 5.785 9.801 0.360 1.00 0.00 H new ATOM 0 HA GLU A 611 5.377 11.427 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 611 3.450 10.426 3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 611 3.331 10.177 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 611 3.879 7.910 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 611 4.693 8.092 3.281 1.00 0.00 H new ATOM 1729 N PRO A 612 6.643 9.711 4.250 1.00 0.00 N ATOM 1730 CA PRO A 612 7.616 8.904 4.986 1.00 0.00 C ATOM 1731 C PRO A 612 7.065 7.537 5.385 1.00 0.00 C ATOM 1732 O PRO A 612 6.016 7.434 6.022 1.00 0.00 O ATOM 1733 CB PRO A 612 7.911 9.740 6.246 1.00 0.00 C ATOM 1734 CG PRO A 612 7.135 11.011 6.094 1.00 0.00 C ATOM 1735 CD PRO A 612 6.035 10.725 5.114 1.00 0.00 C ATOM 0 HA PRO A 612 8.496 8.694 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 612 7.610 9.206 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 612 8.978 9.944 6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 612 6.727 11.333 7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 612 7.776 11.816 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 612 5.137 10.353 5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 612 5.746 11.615 4.555 1.00 0.00 H new ATOM 1743 N VAL A 613 7.790 6.492 5.016 1.00 0.00 N ATOM 1744 CA VAL A 613 7.430 5.139 5.396 1.00 0.00 C ATOM 1745 C VAL A 613 7.830 4.894 6.841 1.00 0.00 C ATOM 1746 O VAL A 613 8.926 5.260 7.271 1.00 0.00 O ATOM 1747 CB VAL A 613 8.111 4.086 4.495 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.697 2.672 4.877 1.00 0.00 C ATOM 1749 CG2 VAL A 613 7.797 4.353 3.032 1.00 0.00 C ATOM 0 H VAL A 613 8.636 6.559 4.450 1.00 0.00 H new ATOM 0 HA VAL A 613 6.351 5.038 5.276 1.00 0.00 H new ATOM 0 HB VAL A 613 9.187 4.170 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 613 8.195 1.957 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 613 7.982 2.476 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.617 2.568 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.285 3.601 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 613 6.719 4.307 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 613 8.161 5.343 2.756 1.00 0.00 H new ATOM 1759 N ALA A 614 6.935 4.274 7.576 1.00 0.00 N ATOM 1760 CA ALA A 614 7.143 4.028 8.991 1.00 0.00 C ATOM 1761 C ALA A 614 7.947 2.752 9.210 1.00 0.00 C ATOM 1762 O ALA A 614 8.843 2.714 10.052 1.00 0.00 O ATOM 1763 CB ALA A 614 5.805 3.952 9.712 1.00 0.00 C ATOM 0 H ALA A 614 6.046 3.927 7.216 1.00 0.00 H new ATOM 0 HA ALA A 614 7.716 4.858 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 614 5.973 3.767 10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.271 4.894 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.211 3.140 9.292 1.00 0.00 H new ATOM 1769 N GLU A 615 7.629 1.711 8.453 1.00 0.00 N ATOM 1770 CA GLU A 615 8.305 0.432 8.601 1.00 0.00 C ATOM 1771 C GLU A 615 8.354 -0.312 7.266 1.00 0.00 C ATOM 1772 O GLU A 615 7.381 -0.952 6.868 1.00 0.00 O ATOM 1773 CB GLU A 615 7.564 -0.414 9.634 1.00 0.00 C ATOM 1774 CG GLU A 615 8.293 -1.684 10.031 1.00 0.00 C ATOM 1775 CD GLU A 615 9.308 -1.450 11.132 1.00 0.00 C ATOM 1776 OE1 GLU A 615 8.925 -0.888 12.182 1.00 0.00 O1- ATOM 1777 OE2 GLU A 615 10.483 -1.826 10.963 1.00 0.00 O ATOM 0 H GLU A 615 6.908 1.728 7.732 1.00 0.00 H new ATOM 0 HA GLU A 615 9.327 0.611 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 615 7.393 0.188 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.585 -0.679 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.568 -2.427 10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 615 8.798 -2.098 9.158 1.00 0.00 H new ATOM 1784 N PRO A 616 9.457 -0.180 6.516 1.00 0.00 N ATOM 1785 CA PRO A 616 9.678 -0.965 5.297 1.00 0.00 C ATOM 1786 C PRO A 616 10.063 -2.421 5.560 1.00 0.00 C ATOM 1787 O PRO A 616 10.371 -2.808 6.689 1.00 0.00 O ATOM 1788 CB PRO A 616 10.858 -0.248 4.642 1.00 0.00 C ATOM 1789 CG PRO A 616 11.610 0.321 5.790 1.00 0.00 C ATOM 1790 CD PRO A 616 10.556 0.785 6.746 1.00 0.00 C ATOM 0 HA PRO A 616 8.769 -1.019 4.699 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.473 -0.937 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.522 0.532 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.258 -0.427 6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.249 1.146 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 616 10.907 0.760 7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.245 1.809 6.539 1.00 0.00 H new ATOM 1798 N ASP A 617 10.006 -3.214 4.490 1.00 0.00 N ATOM 1799 CA ASP A 617 10.618 -4.545 4.438 1.00 0.00 C ATOM 1800 C ASP A 617 9.829 -5.587 5.223 1.00 0.00 C ATOM 1801 O ASP A 617 10.390 -6.567 5.711 1.00 0.00 O ATOM 1802 CB ASP A 617 12.069 -4.494 4.928 1.00 0.00 C ATOM 1803 CG ASP A 617 12.927 -5.571 4.289 1.00 0.00 C ATOM 1804 OD1 ASP A 617 13.137 -5.498 3.058 1.00 0.00 O ATOM 1805 OD2 ASP A 617 13.408 -6.476 5.008 1.00 0.00 O1- ATOM 0 H ASP A 617 9.530 -2.950 3.627 1.00 0.00 H new ATOM 0 HA ASP A 617 10.604 -4.855 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.492 -3.515 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 617 12.089 -4.611 6.012 1.00 0.00 H new ATOM 1810 N ILE A 618 8.527 -5.398 5.326 1.00 0.00 N ATOM 1811 CA ILE A 618 7.671 -6.429 5.886 1.00 0.00 C ATOM 1812 C ILE A 618 7.293 -7.396 4.773 1.00 0.00 C ATOM 1813 O ILE A 618 6.278 -7.227 4.103 1.00 0.00 O ATOM 1814 CB ILE A 618 6.395 -5.849 6.529 1.00 0.00 C ATOM 1815 CG1 ILE A 618 6.764 -4.757 7.536 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.592 -6.956 7.203 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.562 -4.125 8.203 1.00 0.00 C ATOM 0 H ILE A 618 8.042 -4.550 5.033 1.00 0.00 H new ATOM 0 HA ILE A 618 8.221 -6.939 6.677 1.00 0.00 H new ATOM 0 HB ILE A 618 5.776 -5.405 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.413 -5.183 8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.337 -3.982 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.694 -6.532 7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.309 -7.703 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.199 -7.426 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.895 -3.360 8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 618 4.923 -3.670 7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.000 -4.889 8.740 1.00 0.00 H new ATOM 1829 N MET A 619 8.144 -8.379 4.543 1.00 0.00 N ATOM 1830 CA MET A 619 7.998 -9.252 3.387 1.00 0.00 C ATOM 1831 C MET A 619 6.924 -10.308 3.594 1.00 0.00 C ATOM 1832 O MET A 619 6.696 -10.779 4.706 1.00 0.00 O ATOM 1833 CB MET A 619 9.330 -9.921 3.048 1.00 0.00 C ATOM 1834 CG MET A 619 10.444 -8.933 2.742 1.00 0.00 C ATOM 1835 SD MET A 619 11.905 -9.725 2.036 1.00 0.00 S ATOM 1836 CE MET A 619 11.201 -10.417 0.541 1.00 0.00 C ATOM 0 H MET A 619 8.943 -8.595 5.139 1.00 0.00 H new ATOM 0 HA MET A 619 7.685 -8.624 2.552 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.634 -10.552 3.883 1.00 0.00 H new ATOM 0 HB3 MET A 619 9.190 -10.576 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 619 10.074 -8.178 2.048 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.725 -8.413 3.658 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.991 -10.575 -0.194 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.723 -11.369 0.771 1.00 0.00 H new ATOM 0 HE3 MET A 619 10.460 -9.728 0.135 1.00 0.00 H new ATOM 1846 N ALA A 620 6.279 -10.673 2.497 1.00 0.00 N ATOM 1847 CA ALA A 620 5.233 -11.678 2.505 1.00 0.00 C ATOM 1848 C ALA A 620 5.579 -12.785 1.518 1.00 0.00 C ATOM 1849 O ALA A 620 6.685 -12.823 0.978 1.00 0.00 O ATOM 1850 CB ALA A 620 3.889 -11.052 2.154 1.00 0.00 C ATOM 0 H ALA A 620 6.468 -10.279 1.575 1.00 0.00 H new ATOM 0 HA ALA A 620 5.158 -12.104 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 620 3.116 -11.820 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.645 -10.281 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.944 -10.606 1.161 1.00 0.00 H new ATOM 1856 N THR A 621 4.637 -13.678 1.282 1.00 0.00 N ATOM 1857 CA THR A 621 4.848 -14.774 0.355 1.00 0.00 C ATOM 1858 C THR A 621 4.655 -14.334 -1.095 1.00 0.00 C ATOM 1859 O THR A 621 5.127 -14.992 -2.018 1.00 0.00 O ATOM 1860 CB THR A 621 3.901 -15.946 0.674 1.00 0.00 C ATOM 1861 OG1 THR A 621 2.599 -15.442 0.996 1.00 0.00 O ATOM 1862 CG2 THR A 621 4.428 -16.776 1.834 1.00 0.00 C ATOM 0 H THR A 621 3.716 -13.666 1.720 1.00 0.00 H new ATOM 0 HA THR A 621 5.880 -15.103 0.475 1.00 0.00 H new ATOM 0 HB THR A 621 3.842 -16.586 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 621 2.533 -15.301 1.963 1.00 0.00 H new ATOM 0 HG21 THR A 621 3.739 -17.596 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 621 5.407 -17.180 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 621 4.516 -16.148 2.721 1.00 0.00 H new ATOM 1870 N ASN A 622 3.960 -13.220 -1.286 1.00 0.00 N ATOM 1871 CA ASN A 622 3.668 -12.718 -2.623 1.00 0.00 C ATOM 1872 C ASN A 622 4.299 -11.346 -2.866 1.00 0.00 C ATOM 1873 O ASN A 622 3.931 -10.645 -3.808 1.00 0.00 O ATOM 1874 CB ASN A 622 2.151 -12.649 -2.848 1.00 0.00 C ATOM 1875 CG ASN A 622 1.443 -11.734 -1.862 1.00 0.00 C ATOM 1876 OD1 ASN A 622 1.873 -11.574 -0.718 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.336 -11.148 -2.288 1.00 0.00 N ATOM 0 H ASN A 622 3.587 -12.646 -0.530 1.00 0.00 H new ATOM 0 HA ASN A 622 4.106 -13.415 -3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 622 1.956 -12.301 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 622 1.732 -13.652 -2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 622 -0.192 -10.540 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.011 -11.304 -3.242 1.00 0.00 H new ATOM 1884 N GLY A 623 5.250 -10.958 -2.027 1.00 0.00 N ATOM 1885 CA GLY A 623 5.918 -9.688 -2.230 1.00 0.00 C ATOM 1886 C GLY A 623 6.415 -9.068 -0.945 1.00 0.00 C ATOM 1887 O GLY A 623 6.778 -9.776 -0.007 1.00 0.00 O ATOM 0 H GLY A 623 5.568 -11.493 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.760 -9.831 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 623 5.231 -8.997 -2.718 1.00 0.00 H new ATOM 1891 N VAL A 624 6.427 -7.746 -0.904 1.00 0.00 N ATOM 1892 CA VAL A 624 6.916 -7.009 0.253 1.00 0.00 C ATOM 1893 C VAL A 624 5.925 -5.912 0.649 1.00 0.00 C ATOM 1894 O VAL A 624 5.226 -5.358 -0.206 1.00 0.00 O ATOM 1895 CB VAL A 624 8.307 -6.388 -0.031 1.00 0.00 C ATOM 1896 CG1 VAL A 624 8.230 -5.350 -1.145 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.906 -5.777 1.228 1.00 0.00 C ATOM 0 H VAL A 624 6.100 -7.154 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 624 7.014 -7.712 1.080 1.00 0.00 H new ATOM 0 HB VAL A 624 8.963 -7.194 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.221 -4.932 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 624 7.867 -5.822 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.547 -4.553 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.882 -5.350 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.246 -4.994 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 624 9.020 -6.549 1.989 1.00 0.00 H new ATOM 1907 N VAL A 625 5.848 -5.625 1.943 1.00 0.00 N ATOM 1908 CA VAL A 625 4.970 -4.585 2.459 1.00 0.00 C ATOM 1909 C VAL A 625 5.773 -3.498 3.155 1.00 0.00 C ATOM 1910 O VAL A 625 6.782 -3.773 3.814 1.00 0.00 O ATOM 1911 CB VAL A 625 3.928 -5.168 3.443 1.00 0.00 C ATOM 1912 CG1 VAL A 625 3.124 -4.069 4.125 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.997 -6.111 2.711 1.00 0.00 C ATOM 0 H VAL A 625 6.391 -6.105 2.661 1.00 0.00 H new ATOM 0 HA VAL A 625 4.443 -4.152 1.609 1.00 0.00 H new ATOM 0 HB VAL A 625 4.468 -5.715 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.403 -4.517 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.797 -3.419 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.596 -3.484 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 625 2.267 -6.517 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.479 -5.569 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.574 -6.926 2.275 1.00 0.00 H new ATOM 1923 N HIS A 626 5.334 -2.264 2.979 1.00 0.00 N ATOM 1924 CA HIS A 626 5.948 -1.123 3.641 1.00 0.00 C ATOM 1925 C HIS A 626 4.865 -0.279 4.305 1.00 0.00 C ATOM 1926 O HIS A 626 3.887 0.103 3.664 1.00 0.00 O ATOM 1927 CB HIS A 626 6.743 -0.266 2.646 1.00 0.00 C ATOM 1928 CG HIS A 626 7.713 -1.037 1.794 1.00 0.00 C ATOM 1929 ND1 HIS A 626 9.047 -1.233 2.102 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.508 -1.676 0.617 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.592 -1.976 1.125 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.699 -2.268 0.201 1.00 0.00 N ATOM 0 H HIS A 626 4.546 -2.024 2.377 1.00 0.00 H new ATOM 0 HA HIS A 626 6.642 -1.493 4.396 1.00 0.00 H new ATOM 0 HB2 HIS A 626 6.042 0.256 1.995 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.291 0.496 3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.569 -1.720 0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.624 -2.292 1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 626 8.849 -2.816 -0.646 1.00 0.00 H new ATOM 1940 N VAL A 627 5.034 -0.012 5.589 1.00 0.00 N ATOM 1941 CA VAL A 627 4.038 0.725 6.363 1.00 0.00 C ATOM 1942 C VAL A 627 4.047 2.215 6.031 1.00 0.00 C ATOM 1943 O VAL A 627 5.045 2.894 6.250 1.00 0.00 O ATOM 1944 CB VAL A 627 4.297 0.561 7.877 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.287 1.351 8.685 1.00 0.00 C ATOM 1946 CG2 VAL A 627 4.267 -0.900 8.274 1.00 0.00 C ATOM 0 H VAL A 627 5.855 -0.295 6.124 1.00 0.00 H new ATOM 0 HA VAL A 627 3.066 0.310 6.098 1.00 0.00 H new ATOM 0 HB VAL A 627 5.291 0.954 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.489 1.220 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.362 2.408 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.282 0.994 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.452 -0.990 9.344 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.290 -1.321 8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 627 5.038 -1.442 7.726 1.00 0.00 H new ATOM 1956 N ILE A 628 2.935 2.717 5.521 1.00 0.00 N ATOM 1957 CA ILE A 628 2.775 4.148 5.305 1.00 0.00 C ATOM 1958 C ILE A 628 1.761 4.723 6.265 1.00 0.00 C ATOM 1959 O ILE A 628 1.075 3.990 6.977 1.00 0.00 O ATOM 1960 CB ILE A 628 2.349 4.503 3.871 1.00 0.00 C ATOM 1961 CG1 ILE A 628 1.538 3.381 3.235 1.00 0.00 C ATOM 1962 CG2 ILE A 628 3.562 4.853 3.042 1.00 0.00 C ATOM 1963 CD1 ILE A 628 0.925 3.762 1.908 1.00 0.00 C ATOM 0 H ILE A 628 2.128 2.156 5.248 1.00 0.00 H new ATOM 0 HA ILE A 628 3.759 4.583 5.479 1.00 0.00 H new ATOM 0 HB ILE A 628 1.698 5.377 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.181 2.513 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 628 0.745 3.082 3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.250 5.103 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.072 5.708 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.241 4.001 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 628 0.362 2.917 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.256 4.611 2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 628 1.714 4.033 1.207 1.00 0.00 H new ATOM 1975 N THR A 629 1.657 6.031 6.274 1.00 0.00 N ATOM 1976 CA THR A 629 0.791 6.696 7.211 1.00 0.00 C ATOM 1977 C THR A 629 -0.318 7.463 6.506 1.00 0.00 C ATOM 1978 O THR A 629 -1.210 8.001 7.158 1.00 0.00 O ATOM 1979 CB THR A 629 1.587 7.652 8.118 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.450 8.490 7.331 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.417 6.875 9.131 1.00 0.00 C ATOM 0 H THR A 629 2.162 6.653 5.643 1.00 0.00 H new ATOM 0 HA THR A 629 0.335 5.920 7.826 1.00 0.00 H new ATOM 0 HB THR A 629 0.872 8.276 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 629 2.289 8.323 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 629 2.970 7.573 9.760 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.758 6.269 9.753 1.00 0.00 H new ATOM 0 HG23 THR A 629 3.118 6.226 8.606 1.00 0.00 H new ATOM 1989 N ASN A 630 -0.273 7.521 5.178 1.00 0.00 N ATOM 1990 CA ASN A 630 -1.304 8.251 4.444 1.00 0.00 C ATOM 1991 C ASN A 630 -1.864 7.415 3.294 1.00 0.00 C ATOM 1992 O ASN A 630 -1.332 6.355 2.958 1.00 0.00 O ATOM 1993 CB ASN A 630 -0.749 9.577 3.912 1.00 0.00 C ATOM 1994 CG ASN A 630 -1.815 10.660 3.794 1.00 0.00 C ATOM 1995 OD1 ASN A 630 -3.002 10.378 3.609 1.00 0.00 O ATOM 1996 ND2 ASN A 630 -1.398 11.912 3.906 1.00 0.00 N ATOM 0 H ASN A 630 0.445 7.084 4.600 1.00 0.00 H new ATOM 0 HA ASN A 630 -2.118 8.462 5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 630 0.044 9.925 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -0.298 9.410 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -2.066 12.680 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 630 -0.409 12.108 4.059 1.00 0.00 H new ATOM 2003 N VAL A 631 -2.966 7.887 2.722 1.00 0.00 N ATOM 2004 CA VAL A 631 -3.556 7.276 1.555 1.00 0.00 C ATOM 2005 C VAL A 631 -2.853 7.803 0.314 1.00 0.00 C ATOM 2006 O VAL A 631 -2.418 8.955 0.287 1.00 0.00 O ATOM 2007 CB VAL A 631 -5.065 7.581 1.484 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -5.662 7.063 0.190 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -5.779 6.976 2.683 1.00 0.00 C ATOM 0 H VAL A 631 -3.470 8.706 3.061 1.00 0.00 H new ATOM 0 HA VAL A 631 -3.435 6.194 1.615 1.00 0.00 H new ATOM 0 HB VAL A 631 -5.199 8.663 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -6.728 7.291 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -5.168 7.541 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -5.520 5.984 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -6.844 7.198 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -5.633 5.896 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -5.372 7.400 3.601 1.00 0.00 H new ATOM 2019 N LEU A 632 -2.756 6.982 -0.715 1.00 0.00 N ATOM 2020 CA LEU A 632 -1.936 7.319 -1.857 1.00 0.00 C ATOM 2021 C LEU A 632 -2.806 7.610 -3.060 1.00 0.00 C ATOM 2022 O LEU A 632 -3.802 6.934 -3.290 1.00 0.00 O ATOM 2023 CB LEU A 632 -0.971 6.174 -2.162 1.00 0.00 C ATOM 2024 CG LEU A 632 -0.030 5.797 -1.015 1.00 0.00 C ATOM 2025 CD1 LEU A 632 0.889 4.655 -1.427 1.00 0.00 C ATOM 2026 CD2 LEU A 632 0.771 7.008 -0.557 1.00 0.00 C ATOM 0 H LEU A 632 -3.233 6.083 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 632 -1.358 8.213 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -1.551 5.294 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -0.370 6.447 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.633 5.456 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 632 1.550 4.402 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.290 3.784 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 632 1.486 4.960 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 632 1.434 6.719 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 632 1.364 7.388 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 632 0.090 7.786 -0.212 1.00 0.00 H new