USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=26 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 -20:sc= 0.941 USER MOD Set 1.2: A 609 ASN : amide:sc= -9.19! C(o=-8.2!,f=-11!) USER MOD Set 2.1: A 567 ASN : amide:sc= -0.0541 X(o=0.033,f=0.14) USER MOD Set 2.2: A 593 GLN : amide:sc= 0.0875 K(o=0.033,f=-0.74) USER MOD Single : A 504 THR OG1 : rot 128:sc= 0.778 USER MOD Single : A 506 MET CE :methyl 138:sc= -3.75! (180deg=-7.9!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 517 MET CE :methyl -164:sc= -2.84 (180deg=-4.57!) USER MOD Single : A 523 GLN :FLIP amide:sc= -0.0124 F(o=-0.87,f=-0.012) USER MOD Single : A 524 SER OG : rot 68:sc= 0.297 USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 532 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 537 TYR OH : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 103:sc= 0.997 USER MOD Single : A 543 THR OG1 : rot 180:sc= 0 USER MOD Single : A 544 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.9!) USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 563 LYS NZ :NH3+ -124:sc= -0.145 (180deg=-3.16!) USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 HIS :FLIP no HD1:sc= -4.49 F(o=-8.4!,f=-4.5) USER MOD Single : A 580 SER OG : rot 71:sc= 0.25 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -64:sc= -0.0941 USER MOD Single : A 596 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.638) USER MOD Single : A 600 SER OG : rot 42:sc= 1.22 USER MOD Single : A 602 LYS NZ :NH3+ 168:sc= -0.0132 (180deg=-0.21) USER MOD Single : A 603 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 604 ASN :FLIP amide:sc= -0.136 F(o=-1.1,f=-0.14) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 610 LYS NZ :NH3+ -107:sc= -2.15! (180deg=-4.89!) USER MOD Single : A 619 MET CE :methyl 154:sc= -0.305 (180deg=-1.39!) USER MOD Single : A 621 THR OG1 : rot -29:sc= 0.19 USER MOD Single : A 622 ASN : amide:sc= -2.78! C(o=-2.8!,f=-16!) USER MOD Single : A 626 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-5.1!) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.00565 USER MOD Single : A 630 ASN : amide:sc= 1.12 K(o=1.1,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 37 N GLY A 503 0.624 -16.029 5.593 1.00 0.00 N ATOM 38 CA GLY A 503 -0.047 -15.933 4.319 1.00 0.00 C ATOM 39 C GLY A 503 0.669 -15.004 3.375 1.00 0.00 C ATOM 40 O GLY A 503 1.874 -14.771 3.498 1.00 0.00 O ATOM 0 HA2 GLY A 503 -0.117 -16.924 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -1.067 -15.580 4.472 1.00 0.00 H new ATOM 44 N THR A 504 -0.083 -14.468 2.440 1.00 0.00 N ATOM 45 CA THR A 504 0.427 -13.488 1.515 1.00 0.00 C ATOM 46 C THR A 504 0.275 -12.092 2.105 1.00 0.00 C ATOM 47 O THR A 504 -0.064 -11.949 3.277 1.00 0.00 O ATOM 48 CB THR A 504 -0.332 -13.556 0.185 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.727 -13.330 0.418 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.140 -14.907 -0.486 1.00 0.00 C ATOM 0 H THR A 504 -1.066 -14.701 2.302 1.00 0.00 H new ATOM 0 HA THR A 504 1.481 -13.701 1.335 1.00 0.00 H new ATOM 0 HB THR A 504 0.064 -12.785 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.047 -12.620 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 504 -0.689 -14.927 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.920 -15.069 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 504 -0.513 -15.695 0.169 1.00 0.00 H new ATOM 58 N VAL A 505 0.545 -11.077 1.295 1.00 0.00 N ATOM 59 CA VAL A 505 0.322 -9.684 1.686 1.00 0.00 C ATOM 60 C VAL A 505 -1.042 -9.506 2.360 1.00 0.00 C ATOM 61 O VAL A 505 -1.148 -8.872 3.405 1.00 0.00 O ATOM 62 CB VAL A 505 0.400 -8.741 0.465 1.00 0.00 C ATOM 63 CG1 VAL A 505 0.063 -7.313 0.862 1.00 0.00 C ATOM 64 CG2 VAL A 505 1.778 -8.797 -0.173 1.00 0.00 C ATOM 0 H VAL A 505 0.922 -11.190 0.354 1.00 0.00 H new ATOM 0 HA VAL A 505 1.110 -9.426 2.394 1.00 0.00 H new ATOM 0 HB VAL A 505 -0.334 -9.079 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 505 0.125 -6.668 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -0.948 -7.277 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 505 0.770 -6.969 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 505 1.809 -8.125 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 505 2.529 -8.491 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 505 1.985 -9.815 -0.502 1.00 0.00 H new ATOM 74 N MET A 506 -2.077 -10.086 1.759 1.00 0.00 N ATOM 75 CA MET A 506 -3.433 -9.991 2.297 1.00 0.00 C ATOM 76 C MET A 506 -3.534 -10.595 3.696 1.00 0.00 C ATOM 77 O MET A 506 -4.241 -10.060 4.550 1.00 0.00 O ATOM 78 CB MET A 506 -4.437 -10.656 1.353 1.00 0.00 C ATOM 79 CG MET A 506 -5.286 -9.651 0.595 1.00 0.00 C ATOM 80 SD MET A 506 -4.302 -8.318 -0.103 1.00 0.00 S ATOM 81 CE MET A 506 -5.577 -7.312 -0.851 1.00 0.00 C ATOM 0 H MET A 506 -2.004 -10.628 0.898 1.00 0.00 H new ATOM 0 HA MET A 506 -3.676 -8.932 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 506 -3.900 -11.282 0.640 1.00 0.00 H new ATOM 0 HB3 MET A 506 -5.088 -11.315 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 506 -5.822 -10.161 -0.205 1.00 0.00 H new ATOM 0 HG3 MET A 506 -6.037 -9.233 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 506 -5.370 -6.259 -0.658 1.00 0.00 H new ATOM 0 HE2 MET A 506 -5.594 -7.487 -1.927 1.00 0.00 H new ATOM 0 HE3 MET A 506 -6.545 -7.576 -0.425 1.00 0.00 H new ATOM 91 N ASP A 507 -2.829 -11.701 3.938 1.00 0.00 N ATOM 92 CA ASP A 507 -2.801 -12.292 5.269 1.00 0.00 C ATOM 93 C ASP A 507 -2.054 -11.374 6.223 1.00 0.00 C ATOM 94 O ASP A 507 -2.450 -11.203 7.378 1.00 0.00 O ATOM 95 CB ASP A 507 -2.126 -13.655 5.230 1.00 0.00 C ATOM 96 CG ASP A 507 -2.279 -14.420 6.530 1.00 0.00 C ATOM 97 OD1 ASP A 507 -3.276 -15.165 6.667 1.00 0.00 O1- ATOM 98 OD2 ASP A 507 -1.395 -14.295 7.402 1.00 0.00 O ATOM 0 H ASP A 507 -2.278 -12.197 3.238 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.826 -12.419 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.549 -14.243 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.066 -13.525 5.012 1.00 0.00 H new ATOM 103 N VAL A 508 -0.985 -10.767 5.713 1.00 0.00 N ATOM 104 CA VAL A 508 -0.203 -9.792 6.480 1.00 0.00 C ATOM 105 C VAL A 508 -1.089 -8.690 7.046 1.00 0.00 C ATOM 106 O VAL A 508 -0.935 -8.283 8.197 1.00 0.00 O ATOM 107 CB VAL A 508 0.919 -9.164 5.625 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.655 -8.086 6.408 1.00 0.00 C ATOM 109 CG2 VAL A 508 1.892 -10.236 5.159 1.00 0.00 C ATOM 0 H VAL A 508 -0.637 -10.932 4.768 1.00 0.00 H new ATOM 0 HA VAL A 508 0.252 -10.338 7.307 1.00 0.00 H new ATOM 0 HB VAL A 508 0.463 -8.701 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.441 -7.657 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 508 0.954 -7.303 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 508 2.098 -8.524 7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.677 -9.778 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.337 -10.725 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.360 -10.975 4.559 1.00 0.00 H new ATOM 119 N LEU A 509 -2.042 -8.241 6.252 1.00 0.00 N ATOM 120 CA LEU A 509 -2.869 -7.111 6.631 1.00 0.00 C ATOM 121 C LEU A 509 -3.936 -7.525 7.634 1.00 0.00 C ATOM 122 O LEU A 509 -4.474 -6.694 8.365 1.00 0.00 O ATOM 123 CB LEU A 509 -3.494 -6.495 5.382 1.00 0.00 C ATOM 124 CG LEU A 509 -2.534 -6.375 4.196 1.00 0.00 C ATOM 125 CD1 LEU A 509 -3.127 -5.498 3.106 1.00 0.00 C ATOM 126 CD2 LEU A 509 -1.167 -5.867 4.650 1.00 0.00 C ATOM 0 H LEU A 509 -2.263 -8.641 5.340 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.244 -6.362 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.351 -7.099 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -3.874 -5.504 5.630 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.388 -7.368 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -2.426 -5.428 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -4.063 -5.934 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -3.318 -4.502 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -0.503 -5.790 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -1.278 -4.886 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -0.743 -6.562 5.375 1.00 0.00 H new ATOM 138 N LYS A 510 -4.226 -8.816 7.680 1.00 0.00 N ATOM 139 CA LYS A 510 -5.166 -9.344 8.656 1.00 0.00 C ATOM 140 C LYS A 510 -4.463 -9.588 9.982 1.00 0.00 C ATOM 141 O LYS A 510 -5.087 -9.566 11.043 1.00 0.00 O ATOM 142 CB LYS A 510 -5.788 -10.656 8.178 1.00 0.00 C ATOM 143 CG LYS A 510 -6.684 -10.528 6.959 1.00 0.00 C ATOM 144 CD LYS A 510 -7.396 -11.844 6.683 1.00 0.00 C ATOM 145 CE LYS A 510 -8.364 -11.741 5.520 1.00 0.00 C ATOM 146 NZ LYS A 510 -9.201 -12.961 5.409 1.00 0.00 N1+ ATOM 0 H LYS A 510 -3.825 -9.515 7.055 1.00 0.00 H new ATOM 0 HA LYS A 510 -5.957 -8.605 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -4.987 -11.360 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -6.368 -11.086 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.417 -9.738 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -6.090 -10.240 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.657 -12.617 6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -7.937 -12.157 7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -9.004 -10.869 5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.809 -11.592 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -9.853 -12.862 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -8.590 -13.789 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -9.747 -13.088 6.285 1.00 0.00 H new ATOM 160 N GLY A 511 -3.159 -9.821 9.909 1.00 0.00 N ATOM 161 CA GLY A 511 -2.402 -10.181 11.084 1.00 0.00 C ATOM 162 C GLY A 511 -1.849 -8.983 11.824 1.00 0.00 C ATOM 163 O GLY A 511 -1.181 -9.138 12.847 1.00 0.00 O ATOM 0 H GLY A 511 -2.612 -9.766 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -3.039 -10.754 11.758 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -1.578 -10.833 10.793 1.00 0.00 H new ATOM 167 N ASP A 512 -2.106 -7.789 11.312 1.00 0.00 N ATOM 168 CA ASP A 512 -1.621 -6.579 11.954 1.00 0.00 C ATOM 169 C ASP A 512 -2.764 -5.639 12.304 1.00 0.00 C ATOM 170 O ASP A 512 -3.712 -5.483 11.534 1.00 0.00 O ATOM 171 CB ASP A 512 -0.629 -5.860 11.054 1.00 0.00 C ATOM 172 CG ASP A 512 0.222 -4.885 11.838 1.00 0.00 C ATOM 173 OD1 ASP A 512 -0.237 -3.754 12.073 1.00 0.00 O ATOM 174 OD2 ASP A 512 1.341 -5.260 12.244 1.00 0.00 O1- ATOM 0 H ASP A 512 -2.644 -7.633 10.460 1.00 0.00 H new ATOM 0 HA ASP A 512 -1.124 -6.876 12.877 1.00 0.00 H new ATOM 0 HB2 ASP A 512 0.013 -6.590 10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.167 -5.327 10.270 1.00 0.00 H new ATOM 179 N ASN A 513 -2.658 -5.002 13.465 1.00 0.00 N ATOM 180 CA ASN A 513 -3.707 -4.115 13.957 1.00 0.00 C ATOM 181 C ASN A 513 -3.695 -2.786 13.213 1.00 0.00 C ATOM 182 O ASN A 513 -4.709 -2.091 13.154 1.00 0.00 O ATOM 183 CB ASN A 513 -3.551 -3.860 15.462 1.00 0.00 C ATOM 184 CG ASN A 513 -3.711 -5.119 16.293 1.00 0.00 C ATOM 185 OD1 ASN A 513 -4.410 -6.053 15.906 1.00 0.00 O ATOM 186 ND2 ASN A 513 -3.071 -5.149 17.452 1.00 0.00 N ATOM 0 H ASN A 513 -1.853 -5.084 14.086 1.00 0.00 H new ATOM 0 HA ASN A 513 -4.661 -4.611 13.778 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -2.569 -3.427 15.652 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -4.290 -3.125 15.779 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -3.149 -5.967 18.057 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -2.500 -4.355 17.740 1.00 0.00 H new ATOM 193 N ARG A 514 -2.551 -2.442 12.628 1.00 0.00 N ATOM 194 CA ARG A 514 -2.405 -1.168 11.928 1.00 0.00 C ATOM 195 C ARG A 514 -3.150 -1.203 10.606 1.00 0.00 C ATOM 196 O ARG A 514 -3.458 -0.165 10.029 1.00 0.00 O ATOM 197 CB ARG A 514 -0.933 -0.855 11.653 1.00 0.00 C ATOM 198 CG ARG A 514 -0.083 -0.712 12.900 1.00 0.00 C ATOM 199 CD ARG A 514 1.392 -0.667 12.537 1.00 0.00 C ATOM 200 NE ARG A 514 2.242 -0.380 13.688 1.00 0.00 N ATOM 201 CZ ARG A 514 3.571 -0.472 13.664 1.00 0.00 C ATOM 202 NH1 ARG A 514 4.186 -0.943 12.590 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 4.287 -0.122 14.727 1.00 0.00 N ATOM 0 H ARG A 514 -1.714 -3.025 12.624 1.00 0.00 H new ATOM 0 HA ARG A 514 -2.822 -0.392 12.570 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -0.515 -1.647 11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -0.871 0.068 11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.360 0.197 13.434 1.00 0.00 H new ATOM 0 HG3 ARG A 514 -0.272 -1.547 13.574 1.00 0.00 H new ATOM 0 HD2 ARG A 514 1.685 -1.623 12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 514 1.552 0.094 11.773 1.00 0.00 H new ATOM 0 HE ARG A 514 1.794 -0.093 14.558 1.00 0.00 H new ATOM 0 HH11 ARG A 514 3.642 -1.236 11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 514 5.204 -1.012 12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 514 3.820 0.219 15.567 1.00 0.00 H new ATOM 0 HH22 ARG A 514 5.304 -0.194 14.703 1.00 0.00 H new ATOM 217 N PHE A 515 -3.419 -2.408 10.123 1.00 0.00 N ATOM 218 CA PHE A 515 -4.066 -2.591 8.843 1.00 0.00 C ATOM 219 C PHE A 515 -5.444 -3.227 9.018 1.00 0.00 C ATOM 220 O PHE A 515 -6.019 -3.759 8.072 1.00 0.00 O ATOM 221 CB PHE A 515 -3.191 -3.470 7.960 1.00 0.00 C ATOM 222 CG PHE A 515 -1.765 -2.994 7.851 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.468 -1.650 7.635 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.718 -3.894 7.955 1.00 0.00 C ATOM 225 CE1 PHE A 515 -0.159 -1.224 7.533 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.594 -3.472 7.854 1.00 0.00 C ATOM 227 CZ PHE A 515 0.875 -2.134 7.641 1.00 0.00 C ATOM 0 H PHE A 515 -3.195 -3.277 10.608 1.00 0.00 H new ATOM 0 HA PHE A 515 -4.201 -1.618 8.372 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -3.196 -4.486 8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.627 -3.514 6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.271 -0.933 7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.930 -4.941 8.117 1.00 0.00 H new ATOM 0 HE1 PHE A 515 0.057 -0.179 7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.400 -4.186 7.941 1.00 0.00 H new ATOM 0 HZ PHE A 515 1.899 -1.802 7.559 1.00 0.00 H new ATOM 237 N SER A 516 -5.979 -3.140 10.229 1.00 0.00 N ATOM 238 CA SER A 516 -7.257 -3.769 10.561 1.00 0.00 C ATOM 239 C SER A 516 -8.393 -3.250 9.673 1.00 0.00 C ATOM 240 O SER A 516 -9.063 -4.028 8.991 1.00 0.00 O ATOM 241 CB SER A 516 -7.575 -3.531 12.042 1.00 0.00 C ATOM 242 OG SER A 516 -8.763 -4.197 12.436 1.00 0.00 O ATOM 0 H SER A 516 -5.547 -2.637 11.004 1.00 0.00 H new ATOM 0 HA SER A 516 -7.170 -4.840 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 516 -6.743 -3.879 12.654 1.00 0.00 H new ATOM 0 HB3 SER A 516 -7.679 -2.462 12.225 1.00 0.00 H new ATOM 0 HG SER A 516 -8.935 -4.025 13.385 1.00 0.00 H new ATOM 248 N MET A 517 -8.614 -1.937 9.678 1.00 0.00 N ATOM 249 CA MET A 517 -9.651 -1.339 8.834 1.00 0.00 C ATOM 250 C MET A 517 -9.307 -1.534 7.353 1.00 0.00 C ATOM 251 O MET A 517 -10.193 -1.656 6.509 1.00 0.00 O ATOM 252 CB MET A 517 -9.797 0.153 9.160 1.00 0.00 C ATOM 253 CG MET A 517 -11.225 0.682 9.078 1.00 0.00 C ATOM 254 SD MET A 517 -11.943 0.585 7.424 1.00 0.00 S ATOM 255 CE MET A 517 -10.696 1.445 6.471 1.00 0.00 C ATOM 0 H MET A 517 -8.096 -1.271 10.251 1.00 0.00 H new ATOM 0 HA MET A 517 -10.601 -1.835 9.035 1.00 0.00 H new ATOM 0 HB2 MET A 517 -9.414 0.331 10.165 1.00 0.00 H new ATOM 0 HB3 MET A 517 -9.171 0.725 8.474 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.852 0.119 9.770 1.00 0.00 H new ATOM 0 HG3 MET A 517 -11.238 1.720 9.409 1.00 0.00 H new ATOM 0 HE1 MET A 517 -11.107 1.722 5.500 1.00 0.00 H new ATOM 0 HE2 MET A 517 -10.387 2.344 7.004 1.00 0.00 H new ATOM 0 HE3 MET A 517 -9.834 0.794 6.328 1.00 0.00 H new ATOM 265 N LEU A 518 -8.010 -1.587 7.059 1.00 0.00 N ATOM 266 CA LEU A 518 -7.520 -1.788 5.694 1.00 0.00 C ATOM 267 C LEU A 518 -8.136 -3.028 5.076 1.00 0.00 C ATOM 268 O LEU A 518 -8.583 -2.999 3.929 1.00 0.00 O ATOM 269 CB LEU A 518 -5.998 -1.914 5.718 1.00 0.00 C ATOM 270 CG LEU A 518 -5.315 -2.153 4.368 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.623 -1.027 3.396 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.813 -2.292 4.559 1.00 0.00 C ATOM 0 H LEU A 518 -7.271 -1.493 7.755 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.807 -0.930 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.586 -1.003 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.733 -2.734 6.385 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.705 -3.079 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -5.126 -1.221 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.700 -0.968 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -5.264 -0.083 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -3.338 -2.462 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -3.417 -1.379 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.607 -3.135 5.218 1.00 0.00 H new ATOM 284 N VAL A 519 -8.156 -4.105 5.848 1.00 0.00 N ATOM 285 CA VAL A 519 -8.791 -5.355 5.422 1.00 0.00 C ATOM 286 C VAL A 519 -10.213 -5.101 4.926 1.00 0.00 C ATOM 287 O VAL A 519 -10.584 -5.509 3.828 1.00 0.00 O ATOM 288 CB VAL A 519 -8.864 -6.372 6.576 1.00 0.00 C ATOM 289 CG1 VAL A 519 -9.280 -7.744 6.068 1.00 0.00 C ATOM 290 CG2 VAL A 519 -7.547 -6.443 7.316 1.00 0.00 C ATOM 0 H VAL A 519 -7.739 -4.143 6.778 1.00 0.00 H new ATOM 0 HA VAL A 519 -8.177 -5.759 4.617 1.00 0.00 H new ATOM 0 HB VAL A 519 -9.625 -6.031 7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -9.324 -8.443 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -10.262 -7.676 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -8.553 -8.097 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -7.624 -7.168 8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -6.759 -6.750 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -7.308 -5.463 7.728 1.00 0.00 H new ATOM 300 N ALA A 520 -10.989 -4.406 5.746 1.00 0.00 N ATOM 301 CA ALA A 520 -12.395 -4.133 5.447 1.00 0.00 C ATOM 302 C ALA A 520 -12.559 -3.202 4.239 1.00 0.00 C ATOM 303 O ALA A 520 -13.502 -3.354 3.457 1.00 0.00 O ATOM 304 CB ALA A 520 -13.085 -3.537 6.667 1.00 0.00 C ATOM 0 H ALA A 520 -10.668 -4.016 6.632 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.864 -5.083 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -14.131 -3.338 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -13.027 -4.240 7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.592 -2.606 6.945 1.00 0.00 H new ATOM 310 N ALA A 521 -11.662 -2.229 4.087 1.00 0.00 N ATOM 311 CA ALA A 521 -11.706 -1.343 2.922 1.00 0.00 C ATOM 312 C ALA A 521 -11.420 -2.139 1.655 1.00 0.00 C ATOM 313 O ALA A 521 -12.178 -2.087 0.692 1.00 0.00 O ATOM 314 CB ALA A 521 -10.716 -0.196 3.061 1.00 0.00 C ATOM 0 H ALA A 521 -10.906 -2.035 4.744 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.706 -0.913 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.774 0.443 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.958 0.388 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.706 -0.596 3.154 1.00 0.00 H new ATOM 320 N ILE A 522 -10.328 -2.890 1.682 1.00 0.00 N ATOM 321 CA ILE A 522 -9.978 -3.796 0.597 1.00 0.00 C ATOM 322 C ILE A 522 -11.106 -4.789 0.339 1.00 0.00 C ATOM 323 O ILE A 522 -11.347 -5.198 -0.795 1.00 0.00 O ATOM 324 CB ILE A 522 -8.684 -4.569 0.924 1.00 0.00 C ATOM 325 CG1 ILE A 522 -7.492 -3.611 0.986 1.00 0.00 C ATOM 326 CG2 ILE A 522 -8.440 -5.667 -0.101 1.00 0.00 C ATOM 327 CD1 ILE A 522 -6.234 -4.244 1.537 1.00 0.00 C ATOM 0 H ILE A 522 -9.661 -2.889 2.454 1.00 0.00 H new ATOM 0 HA ILE A 522 -9.818 -3.194 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 522 -8.800 -5.038 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -7.289 -3.232 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.758 -2.753 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -7.522 -6.200 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -9.278 -6.364 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -8.345 -5.224 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -5.432 -3.506 1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -6.419 -4.598 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.943 -5.084 0.906 1.00 0.00 H new ATOM 339 N GLN A 523 -11.796 -5.166 1.402 1.00 0.00 N ATOM 340 CA GLN A 523 -12.926 -6.074 1.300 1.00 0.00 C ATOM 341 C GLN A 523 -14.036 -5.449 0.468 1.00 0.00 C ATOM 342 O GLN A 523 -14.681 -6.123 -0.331 1.00 0.00 O ATOM 343 CB GLN A 523 -13.448 -6.422 2.688 1.00 0.00 C ATOM 344 CG GLN A 523 -13.681 -7.905 2.884 1.00 0.00 C ATOM 345 CD GLN A 523 -14.760 -8.459 1.969 1.00 0.00 C ATOM 346 OE1 GLN A 523 -14.396 -8.767 0.728 1.00 0.00 O flip ATOM 347 NE2 GLN A 523 -15.925 -8.562 2.357 1.00 0.00 N flip ATOM 0 H GLN A 523 -11.592 -4.855 2.352 1.00 0.00 H new ATOM 0 HA GLN A 523 -12.592 -6.988 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -12.736 -6.071 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -14.382 -5.888 2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -12.749 -8.441 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -13.961 -8.090 3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -16.166 -8.316 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -16.648 -8.893 1.718 1.00 0.00 H new ATOM 356 N SER A 524 -14.239 -4.155 0.646 1.00 0.00 N ATOM 357 CA SER A 524 -15.215 -3.429 -0.147 1.00 0.00 C ATOM 358 C SER A 524 -14.771 -3.382 -1.610 1.00 0.00 C ATOM 359 O SER A 524 -15.589 -3.213 -2.515 1.00 0.00 O ATOM 360 CB SER A 524 -15.388 -2.016 0.408 1.00 0.00 C ATOM 361 OG SER A 524 -15.723 -2.053 1.787 1.00 0.00 O ATOM 0 H SER A 524 -13.742 -3.587 1.332 1.00 0.00 H new ATOM 0 HA SER A 524 -16.174 -3.944 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 524 -14.467 -1.450 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 524 -16.169 -1.496 -0.147 1.00 0.00 H new ATOM 0 HG SER A 524 -14.958 -2.386 2.301 1.00 0.00 H new ATOM 367 N ALA A 525 -13.467 -3.556 -1.826 1.00 0.00 N ATOM 368 CA ALA A 525 -12.896 -3.544 -3.167 1.00 0.00 C ATOM 369 C ALA A 525 -12.890 -4.945 -3.791 1.00 0.00 C ATOM 370 O ALA A 525 -12.988 -5.084 -5.012 1.00 0.00 O ATOM 371 CB ALA A 525 -11.482 -2.976 -3.119 1.00 0.00 C ATOM 0 H ALA A 525 -12.785 -3.708 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 525 -13.520 -2.909 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -11.059 -2.969 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -11.512 -1.958 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.863 -3.595 -2.469 1.00 0.00 H new ATOM 377 N GLY A 526 -12.780 -5.981 -2.952 1.00 0.00 N ATOM 378 CA GLY A 526 -12.852 -7.351 -3.433 1.00 0.00 C ATOM 379 C GLY A 526 -11.577 -7.854 -4.102 1.00 0.00 C ATOM 380 O GLY A 526 -11.508 -9.019 -4.494 1.00 0.00 O ATOM 0 H GLY A 526 -12.642 -5.891 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -13.090 -8.005 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -13.675 -7.431 -4.143 1.00 0.00 H new ATOM 384 N LEU A 527 -10.552 -7.009 -4.209 1.00 0.00 N ATOM 385 CA LEU A 527 -9.329 -7.394 -4.926 1.00 0.00 C ATOM 386 C LEU A 527 -8.375 -8.217 -4.058 1.00 0.00 C ATOM 387 O LEU A 527 -7.170 -8.269 -4.310 1.00 0.00 O ATOM 388 CB LEU A 527 -8.608 -6.167 -5.504 1.00 0.00 C ATOM 389 CG LEU A 527 -8.451 -4.952 -4.575 1.00 0.00 C ATOM 390 CD1 LEU A 527 -7.436 -5.216 -3.475 1.00 0.00 C ATOM 391 CD2 LEU A 527 -8.043 -3.724 -5.372 1.00 0.00 C ATOM 0 H LEU A 527 -10.539 -6.068 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.646 -8.030 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -7.614 -6.478 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -9.147 -5.845 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 527 -9.418 -4.771 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -7.352 -4.335 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -7.761 -6.067 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -6.466 -5.436 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -7.936 -2.873 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -7.093 -3.914 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -8.807 -3.504 -6.118 1.00 0.00 H new ATOM 403 N THR A 528 -8.927 -8.881 -3.057 1.00 0.00 N ATOM 404 CA THR A 528 -8.151 -9.732 -2.172 1.00 0.00 C ATOM 405 C THR A 528 -7.425 -10.826 -2.947 1.00 0.00 C ATOM 406 O THR A 528 -6.254 -11.104 -2.688 1.00 0.00 O ATOM 407 CB THR A 528 -9.066 -10.377 -1.115 1.00 0.00 C ATOM 408 OG1 THR A 528 -9.777 -9.356 -0.401 1.00 0.00 O ATOM 409 CG2 THR A 528 -8.263 -11.226 -0.143 1.00 0.00 C ATOM 0 H THR A 528 -9.922 -8.846 -2.835 1.00 0.00 H new ATOM 0 HA THR A 528 -7.407 -9.104 -1.681 1.00 0.00 H new ATOM 0 HB THR A 528 -9.777 -11.026 -1.626 1.00 0.00 H new ATOM 0 HG1 THR A 528 -10.359 -9.771 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 528 -8.934 -11.670 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 528 -7.749 -12.017 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 528 -7.529 -10.601 0.366 1.00 0.00 H new ATOM 417 N GLU A 529 -8.124 -11.418 -3.911 1.00 0.00 N ATOM 418 CA GLU A 529 -7.584 -12.516 -4.710 1.00 0.00 C ATOM 419 C GLU A 529 -6.293 -12.122 -5.424 1.00 0.00 C ATOM 420 O GLU A 529 -5.421 -12.964 -5.640 1.00 0.00 O ATOM 421 CB GLU A 529 -8.620 -12.990 -5.730 1.00 0.00 C ATOM 422 CG GLU A 529 -9.909 -13.488 -5.099 1.00 0.00 C ATOM 423 CD GLU A 529 -10.891 -14.022 -6.116 1.00 0.00 C ATOM 424 OE1 GLU A 529 -11.621 -13.218 -6.733 1.00 0.00 O1- ATOM 425 OE2 GLU A 529 -10.944 -15.256 -6.303 1.00 0.00 O ATOM 0 H GLU A 529 -9.077 -11.152 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.349 -13.331 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -8.851 -12.169 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -8.187 -13.789 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -9.676 -14.272 -4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -10.375 -12.674 -4.544 1.00 0.00 H new ATOM 432 N THR A 530 -6.168 -10.844 -5.772 1.00 0.00 N ATOM 433 CA THR A 530 -4.981 -10.351 -6.456 1.00 0.00 C ATOM 434 C THR A 530 -3.719 -10.598 -5.626 1.00 0.00 C ATOM 435 O THR A 530 -2.725 -11.126 -6.130 1.00 0.00 O ATOM 436 CB THR A 530 -5.118 -8.845 -6.751 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.282 -8.615 -7.557 1.00 0.00 O ATOM 438 CG2 THR A 530 -3.888 -8.303 -7.464 1.00 0.00 C ATOM 0 H THR A 530 -6.876 -10.132 -5.590 1.00 0.00 H new ATOM 0 HA THR A 530 -4.890 -10.897 -7.395 1.00 0.00 H new ATOM 0 HB THR A 530 -5.215 -8.322 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 530 -6.368 -7.656 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 530 -4.019 -7.238 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 530 -3.009 -8.453 -6.838 1.00 0.00 H new ATOM 0 HG23 THR A 530 -3.754 -8.829 -8.409 1.00 0.00 H new ATOM 446 N LEU A 531 -3.767 -10.236 -4.351 1.00 0.00 N ATOM 447 CA LEU A 531 -2.610 -10.398 -3.485 1.00 0.00 C ATOM 448 C LEU A 531 -2.703 -11.681 -2.678 1.00 0.00 C ATOM 449 O LEU A 531 -1.822 -11.983 -1.880 1.00 0.00 O ATOM 450 CB LEU A 531 -2.461 -9.208 -2.544 1.00 0.00 C ATOM 451 CG LEU A 531 -2.163 -7.873 -3.221 1.00 0.00 C ATOM 452 CD1 LEU A 531 -2.027 -6.780 -2.178 1.00 0.00 C ATOM 453 CD2 LEU A 531 -0.896 -7.964 -4.055 1.00 0.00 C ATOM 0 H LEU A 531 -4.587 -9.832 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 531 -1.730 -10.453 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -3.379 -9.106 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -1.661 -9.424 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 531 -2.993 -7.629 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -1.814 -5.831 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -2.957 -6.696 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -1.212 -7.026 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -0.702 -7.002 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -0.056 -8.228 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.020 -8.728 -4.823 1.00 0.00 H new ATOM 465 N ASN A 532 -3.786 -12.418 -2.853 1.00 0.00 N ATOM 466 CA ASN A 532 -3.964 -13.682 -2.160 1.00 0.00 C ATOM 467 C ASN A 532 -3.212 -14.801 -2.866 1.00 0.00 C ATOM 468 O ASN A 532 -2.935 -15.846 -2.279 1.00 0.00 O ATOM 469 CB ASN A 532 -5.448 -14.027 -2.088 1.00 0.00 C ATOM 470 CG ASN A 532 -5.806 -14.783 -0.852 1.00 0.00 C ATOM 471 OD1 ASN A 532 -5.749 -16.011 -0.802 1.00 0.00 O ATOM 472 ND2 ASN A 532 -6.200 -14.049 0.146 1.00 0.00 N ATOM 0 H ASN A 532 -4.557 -12.162 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.562 -13.579 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -6.033 -13.108 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.722 -14.618 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -6.480 -14.488 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -6.229 -13.034 0.052 1.00 0.00 H new ATOM 479 N ARG A 533 -2.873 -14.581 -4.126 1.00 0.00 N ATOM 480 CA ARG A 533 -2.247 -15.623 -4.927 1.00 0.00 C ATOM 481 C ARG A 533 -0.746 -15.370 -5.091 1.00 0.00 C ATOM 482 O ARG A 533 -0.246 -14.292 -4.760 1.00 0.00 O ATOM 483 CB ARG A 533 -2.926 -15.716 -6.300 1.00 0.00 C ATOM 484 CG ARG A 533 -2.666 -17.034 -7.019 1.00 0.00 C ATOM 485 CD ARG A 533 -3.322 -17.077 -8.390 1.00 0.00 C ATOM 486 NE ARG A 533 -3.226 -18.411 -8.985 1.00 0.00 N ATOM 487 CZ ARG A 533 -2.971 -18.647 -10.271 1.00 0.00 C ATOM 488 NH1 ARG A 533 -2.792 -17.642 -11.115 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -2.895 -19.896 -10.707 1.00 0.00 N ATOM 0 H ARG A 533 -3.019 -13.697 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.372 -16.572 -4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -4.001 -15.586 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -2.576 -14.895 -6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -1.591 -17.182 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -3.041 -17.858 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -4.370 -16.790 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -2.846 -16.349 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 533 -3.364 -19.215 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -2.849 -16.680 -10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -2.597 -17.830 -12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -3.032 -20.672 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -2.700 -20.082 -11.691 1.00 0.00 H new ATOM 503 N GLU A 534 -0.051 -16.387 -5.597 1.00 0.00 N ATOM 504 CA GLU A 534 1.383 -16.328 -5.866 1.00 0.00 C ATOM 505 C GLU A 534 1.724 -15.191 -6.836 1.00 0.00 C ATOM 506 O GLU A 534 0.932 -14.860 -7.721 1.00 0.00 O ATOM 507 CB GLU A 534 1.826 -17.680 -6.445 1.00 0.00 C ATOM 508 CG GLU A 534 3.290 -17.749 -6.848 1.00 0.00 C ATOM 509 CD GLU A 534 4.233 -17.518 -5.687 1.00 0.00 C ATOM 510 OE1 GLU A 534 4.508 -18.478 -4.941 1.00 0.00 O ATOM 511 OE2 GLU A 534 4.717 -16.379 -5.534 1.00 0.00 O1- ATOM 0 H GLU A 534 -0.473 -17.285 -5.834 1.00 0.00 H new ATOM 0 HA GLU A 534 1.914 -16.126 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 534 1.629 -18.458 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 534 1.212 -17.905 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 534 3.495 -18.725 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 534 3.484 -17.005 -7.621 1.00 0.00 H new ATOM 518 N GLY A 535 2.906 -14.611 -6.662 1.00 0.00 N ATOM 519 CA GLY A 535 3.342 -13.514 -7.499 1.00 0.00 C ATOM 520 C GLY A 535 4.359 -12.642 -6.790 1.00 0.00 C ATOM 521 O GLY A 535 4.752 -12.936 -5.661 1.00 0.00 O ATOM 0 H GLY A 535 3.577 -14.888 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 535 3.777 -13.907 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 535 2.481 -12.910 -7.786 1.00 0.00 H new ATOM 525 N VAL A 536 4.803 -11.583 -7.453 1.00 0.00 N ATOM 526 CA VAL A 536 5.694 -10.611 -6.831 1.00 0.00 C ATOM 527 C VAL A 536 5.002 -9.257 -6.767 1.00 0.00 C ATOM 528 O VAL A 536 4.520 -8.750 -7.776 1.00 0.00 O ATOM 529 CB VAL A 536 7.033 -10.478 -7.600 1.00 0.00 C ATOM 530 CG1 VAL A 536 7.885 -11.721 -7.424 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.800 -10.217 -9.080 1.00 0.00 C ATOM 0 H VAL A 536 4.561 -11.374 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 536 5.924 -10.963 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 536 7.564 -9.624 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.819 -11.603 -7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 536 8.102 -11.866 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.347 -12.588 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.760 -10.129 -9.589 1.00 0.00 H new ATOM 0 HG22 VAL A 536 6.235 -11.044 -9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 536 6.238 -9.291 -9.202 1.00 0.00 H new ATOM 541 N TYR A 537 4.947 -8.676 -5.578 1.00 0.00 N ATOM 542 CA TYR A 537 4.274 -7.398 -5.391 1.00 0.00 C ATOM 543 C TYR A 537 4.923 -6.602 -4.266 1.00 0.00 C ATOM 544 O TYR A 537 5.359 -7.163 -3.260 1.00 0.00 O ATOM 545 CB TYR A 537 2.787 -7.600 -5.054 1.00 0.00 C ATOM 546 CG TYR A 537 1.964 -8.289 -6.129 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.535 -7.598 -7.256 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.599 -9.628 -6.006 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.773 -8.215 -8.229 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.833 -10.250 -6.975 1.00 0.00 C ATOM 551 CZ TYR A 537 0.425 -9.539 -8.083 1.00 0.00 C ATOM 552 OH TYR A 537 -0.348 -10.151 -9.047 1.00 0.00 O ATOM 0 H TYR A 537 5.358 -9.067 -4.730 1.00 0.00 H new ATOM 0 HA TYR A 537 4.363 -6.848 -6.328 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.716 -8.183 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.343 -6.626 -4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.803 -6.558 -7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.919 -10.189 -5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 537 0.452 -7.662 -9.099 1.00 0.00 H new ATOM 0 HE2 TYR A 537 0.556 -11.288 -6.864 1.00 0.00 H new ATOM 0 HH TYR A 537 -0.505 -11.085 -8.796 1.00 0.00 H new ATOM 562 N THR A 538 4.993 -5.297 -4.450 1.00 0.00 N ATOM 563 CA THR A 538 5.398 -4.395 -3.386 1.00 0.00 C ATOM 564 C THR A 538 4.214 -3.540 -2.974 1.00 0.00 C ATOM 565 O THR A 538 3.752 -2.701 -3.742 1.00 0.00 O ATOM 566 CB THR A 538 6.566 -3.493 -3.819 1.00 0.00 C ATOM 567 OG1 THR A 538 7.694 -4.303 -4.134 1.00 0.00 O ATOM 568 CG2 THR A 538 6.938 -2.499 -2.727 1.00 0.00 C ATOM 0 H THR A 538 4.773 -4.835 -5.332 1.00 0.00 H new ATOM 0 HA THR A 538 5.738 -4.996 -2.543 1.00 0.00 H new ATOM 0 HB THR A 538 6.254 -2.926 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.781 -4.378 -5.107 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.767 -1.878 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 538 6.079 -1.867 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.235 -3.040 -1.828 1.00 0.00 H new ATOM 576 N VAL A 539 3.702 -3.776 -1.783 1.00 0.00 N ATOM 577 CA VAL A 539 2.524 -3.084 -1.332 1.00 0.00 C ATOM 578 C VAL A 539 2.862 -2.091 -0.236 1.00 0.00 C ATOM 579 O VAL A 539 3.308 -2.473 0.849 1.00 0.00 O ATOM 580 CB VAL A 539 1.474 -4.081 -0.815 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.235 -3.350 -0.335 1.00 0.00 C ATOM 582 CG2 VAL A 539 1.125 -5.089 -1.896 1.00 0.00 C ATOM 0 H VAL A 539 4.087 -4.443 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 539 2.114 -2.541 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 539 1.895 -4.622 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.496 -4.073 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.504 -2.670 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.194 -2.781 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.381 -5.788 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.722 -4.567 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 539 2.022 -5.636 -2.186 1.00 0.00 H new ATOM 592 N PHE A 540 2.675 -0.815 -0.525 1.00 0.00 N ATOM 593 CA PHE A 540 2.809 0.197 0.491 1.00 0.00 C ATOM 594 C PHE A 540 1.483 0.339 1.209 1.00 0.00 C ATOM 595 O PHE A 540 0.503 0.818 0.648 1.00 0.00 O ATOM 596 CB PHE A 540 3.287 1.504 -0.127 1.00 0.00 C ATOM 597 CG PHE A 540 4.724 1.423 -0.551 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.734 1.663 0.362 1.00 0.00 C ATOM 599 CD2 PHE A 540 5.068 1.107 -1.855 1.00 0.00 C ATOM 600 CE1 PHE A 540 7.063 1.584 -0.014 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.393 1.024 -2.238 1.00 0.00 C ATOM 602 CZ PHE A 540 7.393 1.268 -1.316 1.00 0.00 C ATOM 0 H PHE A 540 2.432 -0.463 -1.451 1.00 0.00 H new ATOM 0 HA PHE A 540 3.562 -0.090 1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.666 1.748 -0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 540 3.165 2.313 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.482 1.915 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.291 0.923 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.842 1.770 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 540 6.647 0.769 -3.256 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.430 1.212 -1.614 1.00 0.00 H new ATOM 612 N ALA A 541 1.464 -0.105 2.451 1.00 0.00 N ATOM 613 CA ALA A 541 0.215 -0.309 3.168 1.00 0.00 C ATOM 614 C ALA A 541 -0.062 0.825 4.138 1.00 0.00 C ATOM 615 O ALA A 541 0.717 1.071 5.063 1.00 0.00 O ATOM 616 CB ALA A 541 0.236 -1.645 3.900 1.00 0.00 C ATOM 0 H ALA A 541 2.301 -0.333 2.988 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.592 -0.321 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.705 -1.783 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.368 -2.452 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 541 1.061 -1.656 4.613 1.00 0.00 H new ATOM 622 N PRO A 542 -1.178 1.534 3.928 1.00 0.00 N ATOM 623 CA PRO A 542 -1.584 2.633 4.792 1.00 0.00 C ATOM 624 C PRO A 542 -2.202 2.133 6.088 1.00 0.00 C ATOM 625 O PRO A 542 -2.951 1.154 6.099 1.00 0.00 O ATOM 626 CB PRO A 542 -2.620 3.371 3.947 1.00 0.00 C ATOM 627 CG PRO A 542 -3.227 2.314 3.089 1.00 0.00 C ATOM 628 CD PRO A 542 -2.138 1.309 2.829 1.00 0.00 C ATOM 0 HA PRO A 542 -0.745 3.258 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.371 3.853 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -2.157 4.153 3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -4.076 1.847 3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -3.598 2.736 2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.524 0.290 2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.674 1.465 1.855 1.00 0.00 H new ATOM 636 N THR A 543 -1.876 2.797 7.179 1.00 0.00 N ATOM 637 CA THR A 543 -2.402 2.422 8.475 1.00 0.00 C ATOM 638 C THR A 543 -3.830 2.926 8.656 1.00 0.00 C ATOM 639 O THR A 543 -4.409 3.537 7.754 1.00 0.00 O ATOM 640 CB THR A 543 -1.508 2.970 9.598 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.429 4.399 9.519 1.00 0.00 O ATOM 642 CG2 THR A 543 -0.116 2.383 9.489 1.00 0.00 C ATOM 0 H THR A 543 -1.248 3.601 7.193 1.00 0.00 H new ATOM 0 HA THR A 543 -2.412 1.333 8.527 1.00 0.00 H new ATOM 0 HB THR A 543 -1.946 2.688 10.556 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.858 4.735 10.241 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.509 2.778 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.171 1.298 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.317 2.650 8.525 1.00 0.00 H new ATOM 650 N ASN A 544 -4.400 2.680 9.825 1.00 0.00 N ATOM 651 CA ASN A 544 -5.765 3.107 10.099 1.00 0.00 C ATOM 652 C ASN A 544 -5.811 4.610 10.307 1.00 0.00 C ATOM 653 O ASN A 544 -6.826 5.256 10.055 1.00 0.00 O ATOM 654 CB ASN A 544 -6.346 2.369 11.311 1.00 0.00 C ATOM 655 CG ASN A 544 -6.788 0.955 10.969 1.00 0.00 C ATOM 656 OD1 ASN A 544 -7.688 0.400 11.595 1.00 0.00 O ATOM 657 ND2 ASN A 544 -6.155 0.361 9.972 1.00 0.00 N ATOM 0 H ASN A 544 -3.944 2.191 10.595 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.381 2.855 9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -5.598 2.332 12.103 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -7.196 2.929 11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -6.409 -0.589 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -5.412 0.852 9.474 1.00 0.00 H new ATOM 664 N GLU A 545 -4.692 5.162 10.750 1.00 0.00 N ATOM 665 CA GLU A 545 -4.549 6.602 10.888 1.00 0.00 C ATOM 666 C GLU A 545 -4.533 7.264 9.510 1.00 0.00 C ATOM 667 O GLU A 545 -4.857 8.440 9.368 1.00 0.00 O ATOM 668 CB GLU A 545 -3.260 6.959 11.638 1.00 0.00 C ATOM 669 CG GLU A 545 -3.000 6.132 12.889 1.00 0.00 C ATOM 670 CD GLU A 545 -2.266 4.839 12.589 1.00 0.00 C ATOM 671 OE1 GLU A 545 -2.923 3.839 12.231 1.00 0.00 O1- ATOM 672 OE2 GLU A 545 -1.022 4.829 12.689 1.00 0.00 O ATOM 0 H GLU A 545 -3.865 4.630 11.022 1.00 0.00 H new ATOM 0 HA GLU A 545 -5.400 6.969 11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -2.416 6.840 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -3.298 8.012 11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -2.416 6.722 13.596 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -3.949 5.903 13.373 1.00 0.00 H new ATOM 679 N ALA A 546 -4.157 6.492 8.495 1.00 0.00 N ATOM 680 CA ALA A 546 -4.073 7.001 7.132 1.00 0.00 C ATOM 681 C ALA A 546 -5.435 7.173 6.512 1.00 0.00 C ATOM 682 O ALA A 546 -5.644 8.064 5.690 1.00 0.00 O ATOM 683 CB ALA A 546 -3.216 6.082 6.286 1.00 0.00 C ATOM 0 H ALA A 546 -3.905 5.508 8.592 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.609 7.987 7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -3.159 6.471 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.213 6.027 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.658 5.086 6.269 1.00 0.00 H new ATOM 689 N PHE A 547 -6.356 6.331 6.911 1.00 0.00 N ATOM 690 CA PHE A 547 -7.739 6.490 6.518 1.00 0.00 C ATOM 691 C PHE A 547 -8.279 7.771 7.138 1.00 0.00 C ATOM 692 O PHE A 547 -9.334 8.271 6.758 1.00 0.00 O ATOM 693 CB PHE A 547 -8.557 5.264 6.922 1.00 0.00 C ATOM 694 CG PHE A 547 -7.959 3.988 6.406 1.00 0.00 C ATOM 695 CD1 PHE A 547 -7.637 3.851 5.063 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.701 2.934 7.264 1.00 0.00 C ATOM 697 CE1 PHE A 547 -7.072 2.686 4.589 1.00 0.00 C ATOM 698 CE2 PHE A 547 -7.134 1.767 6.796 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.820 1.642 5.457 1.00 0.00 C ATOM 0 H PHE A 547 -6.175 5.525 7.510 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.815 6.571 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.626 5.217 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.574 5.366 6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -7.831 4.666 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.946 3.026 8.312 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -6.827 2.590 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.936 0.952 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 547 -6.378 0.728 5.089 1.00 0.00 H new ATOM 709 N ARG A 548 -7.536 8.296 8.109 1.00 0.00 N ATOM 710 CA ARG A 548 -7.939 9.513 8.798 1.00 0.00 C ATOM 711 C ARG A 548 -7.301 10.730 8.146 1.00 0.00 C ATOM 712 O ARG A 548 -7.525 11.866 8.567 1.00 0.00 O ATOM 713 CB ARG A 548 -7.582 9.443 10.283 1.00 0.00 C ATOM 714 CG ARG A 548 -8.368 8.390 11.055 1.00 0.00 C ATOM 715 CD ARG A 548 -9.831 8.789 11.252 1.00 0.00 C ATOM 716 NE ARG A 548 -10.566 8.896 9.989 1.00 0.00 N ATOM 717 CZ ARG A 548 -11.815 9.348 9.894 1.00 0.00 C ATOM 718 NH1 ARG A 548 -12.475 9.719 10.984 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -12.401 9.434 8.708 1.00 0.00 N ATOM 0 H ARG A 548 -6.655 7.897 8.434 1.00 0.00 H new ATOM 0 HA ARG A 548 -9.022 9.608 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -6.517 9.233 10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -7.758 10.419 10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -8.321 7.441 10.521 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -7.902 8.232 12.028 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -10.320 8.054 11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -9.875 9.745 11.775 1.00 0.00 H new ATOM 0 HE ARG A 548 -10.093 8.607 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -12.026 9.658 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -13.432 10.065 10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -11.895 9.154 7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -13.358 9.780 8.636 1.00 0.00 H new ATOM 733 N ALA A 549 -6.494 10.483 7.121 1.00 0.00 N ATOM 734 CA ALA A 549 -5.810 11.551 6.409 1.00 0.00 C ATOM 735 C ALA A 549 -6.556 11.908 5.134 1.00 0.00 C ATOM 736 O ALA A 549 -6.267 12.920 4.493 1.00 0.00 O ATOM 737 CB ALA A 549 -4.378 11.145 6.088 1.00 0.00 C ATOM 0 H ALA A 549 -6.298 9.548 6.765 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.786 12.431 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.881 11.956 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.842 10.937 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -4.384 10.251 5.464 1.00 0.00 H new ATOM 743 N LEU A 550 -7.516 11.074 4.771 1.00 0.00 N ATOM 744 CA LEU A 550 -8.294 11.290 3.564 1.00 0.00 C ATOM 745 C LEU A 550 -9.629 11.937 3.877 1.00 0.00 C ATOM 746 O LEU A 550 -10.303 11.556 4.833 1.00 0.00 O ATOM 747 CB LEU A 550 -8.521 9.972 2.829 1.00 0.00 C ATOM 748 CG LEU A 550 -7.287 9.405 2.130 1.00 0.00 C ATOM 749 CD1 LEU A 550 -7.650 8.164 1.336 1.00 0.00 C ATOM 750 CD2 LEU A 550 -6.647 10.449 1.223 1.00 0.00 C ATOM 0 H LEU A 550 -7.775 10.239 5.297 1.00 0.00 H new ATOM 0 HA LEU A 550 -7.726 11.965 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -8.888 9.234 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -9.306 10.117 2.087 1.00 0.00 H new ATOM 0 HG LEU A 550 -6.561 9.129 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -6.759 7.773 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -8.055 7.408 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -8.397 8.419 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -5.770 10.021 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -7.365 10.762 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -6.347 11.312 1.817 1.00 0.00 H new ATOM 762 N PRO A 551 -10.023 12.928 3.068 1.00 0.00 N ATOM 763 CA PRO A 551 -11.314 13.590 3.199 1.00 0.00 C ATOM 764 C PRO A 551 -12.447 12.706 2.686 1.00 0.00 C ATOM 765 O PRO A 551 -12.301 12.017 1.668 1.00 0.00 O ATOM 766 CB PRO A 551 -11.180 14.850 2.325 1.00 0.00 C ATOM 767 CG PRO A 551 -9.747 14.899 1.896 1.00 0.00 C ATOM 768 CD PRO A 551 -9.242 13.490 1.966 1.00 0.00 C ATOM 0 HA PRO A 551 -11.555 13.815 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -11.845 14.800 1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -11.451 15.745 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -9.657 15.295 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -9.168 15.553 2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -9.411 12.952 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -8.171 13.452 2.167 1.00 0.00 H new ATOM 776 N PRO A 552 -13.590 12.708 3.386 1.00 0.00 N ATOM 777 CA PRO A 552 -14.772 11.925 2.994 1.00 0.00 C ATOM 778 C PRO A 552 -15.259 12.271 1.591 1.00 0.00 C ATOM 779 O PRO A 552 -16.013 11.519 0.987 1.00 0.00 O ATOM 780 CB PRO A 552 -15.822 12.312 4.036 1.00 0.00 C ATOM 781 CG PRO A 552 -15.034 12.776 5.209 1.00 0.00 C ATOM 782 CD PRO A 552 -13.820 13.451 4.639 1.00 0.00 C ATOM 0 HA PRO A 552 -14.558 10.857 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -16.479 13.098 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -16.455 11.463 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -15.614 13.465 5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -14.753 11.939 5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -13.996 14.511 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -12.966 13.382 5.312 1.00 0.00 H new ATOM 790 N ARG A 553 -14.804 13.416 1.085 1.00 0.00 N ATOM 791 CA ARG A 553 -15.110 13.859 -0.271 1.00 0.00 C ATOM 792 C ARG A 553 -14.753 12.774 -1.290 1.00 0.00 C ATOM 793 O ARG A 553 -15.535 12.462 -2.189 1.00 0.00 O ATOM 794 CB ARG A 553 -14.329 15.144 -0.571 1.00 0.00 C ATOM 795 CG ARG A 553 -14.660 15.783 -1.910 1.00 0.00 C ATOM 796 CD ARG A 553 -16.126 16.172 -1.995 1.00 0.00 C ATOM 797 NE ARG A 553 -16.543 16.997 -0.859 1.00 0.00 N ATOM 798 CZ ARG A 553 -17.212 18.144 -0.971 1.00 0.00 C ATOM 799 NH1 ARG A 553 -17.513 18.635 -2.167 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -17.579 18.804 0.121 1.00 0.00 N ATOM 0 H ARG A 553 -14.212 14.063 1.606 1.00 0.00 H new ATOM 0 HA ARG A 553 -16.180 14.055 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -14.525 15.867 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -13.262 14.921 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -14.039 16.667 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -14.420 15.088 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -16.303 16.717 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -16.738 15.271 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 553 -16.306 16.673 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -17.232 18.134 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -18.025 19.514 -2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -17.349 18.433 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -18.091 19.682 0.038 1.00 0.00 H new ATOM 814 N GLU A 554 -13.563 12.210 -1.142 1.00 0.00 N ATOM 815 CA GLU A 554 -13.112 11.130 -2.008 1.00 0.00 C ATOM 816 C GLU A 554 -13.576 9.788 -1.461 1.00 0.00 C ATOM 817 O GLU A 554 -14.016 8.912 -2.204 1.00 0.00 O ATOM 818 CB GLU A 554 -11.588 11.146 -2.121 1.00 0.00 C ATOM 819 CG GLU A 554 -11.040 12.410 -2.762 1.00 0.00 C ATOM 820 CD GLU A 554 -11.571 12.619 -4.166 1.00 0.00 C ATOM 821 OE1 GLU A 554 -11.052 11.978 -5.099 1.00 0.00 O1- ATOM 822 OE2 GLU A 554 -12.524 13.403 -4.335 1.00 0.00 O ATOM 0 H GLU A 554 -12.889 12.484 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 554 -13.542 11.276 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -11.157 11.037 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -11.266 10.283 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -11.301 13.270 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -9.952 12.357 -2.792 1.00 0.00 H new ATOM 829 N TRP A 555 -13.495 9.657 -0.147 1.00 0.00 N ATOM 830 CA TRP A 555 -13.767 8.396 0.532 1.00 0.00 C ATOM 831 C TRP A 555 -15.196 7.920 0.336 1.00 0.00 C ATOM 832 O TRP A 555 -15.436 6.722 0.192 1.00 0.00 O ATOM 833 CB TRP A 555 -13.468 8.546 2.011 1.00 0.00 C ATOM 834 CG TRP A 555 -12.298 7.729 2.436 1.00 0.00 C ATOM 835 CD1 TRP A 555 -11.007 7.881 2.033 1.00 0.00 C ATOM 836 CD2 TRP A 555 -12.302 6.607 3.327 1.00 0.00 C ATOM 837 NE1 TRP A 555 -10.216 6.930 2.623 1.00 0.00 N ATOM 838 CE2 TRP A 555 -10.981 6.148 3.409 1.00 0.00 C ATOM 839 CE3 TRP A 555 -13.288 5.948 4.063 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -10.607 5.075 4.184 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -12.908 4.868 4.842 1.00 0.00 C ATOM 842 CH2 TRP A 555 -11.577 4.450 4.888 1.00 0.00 C ATOM 0 H TRP A 555 -13.239 10.420 0.480 1.00 0.00 H new ATOM 0 HA TRP A 555 -13.119 7.639 0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -13.277 9.595 2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -14.344 8.250 2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -10.657 8.640 1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -9.210 6.830 2.489 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -14.318 6.271 4.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -9.580 4.745 4.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -13.652 4.342 5.422 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -11.315 3.603 5.504 1.00 0.00 H new ATOM 853 N SER A 556 -16.130 8.859 0.339 1.00 0.00 N ATOM 854 CA SER A 556 -17.543 8.553 0.108 1.00 0.00 C ATOM 855 C SER A 556 -17.731 7.741 -1.178 1.00 0.00 C ATOM 856 O SER A 556 -18.625 6.900 -1.260 1.00 0.00 O ATOM 857 CB SER A 556 -18.361 9.848 0.033 1.00 0.00 C ATOM 858 OG SER A 556 -19.752 9.576 -0.051 1.00 0.00 O ATOM 0 H SER A 556 -15.938 9.848 0.500 1.00 0.00 H new ATOM 0 HA SER A 556 -17.897 7.952 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 556 -18.160 10.459 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 556 -18.049 10.428 -0.835 1.00 0.00 H new ATOM 0 HG SER A 556 -20.248 10.420 -0.096 1.00 0.00 H new ATOM 864 N ARG A 557 -16.885 7.991 -2.173 1.00 0.00 N ATOM 865 CA ARG A 557 -16.961 7.259 -3.432 1.00 0.00 C ATOM 866 C ARG A 557 -16.215 5.938 -3.329 1.00 0.00 C ATOM 867 O ARG A 557 -16.646 4.938 -3.880 1.00 0.00 O ATOM 868 CB ARG A 557 -16.377 8.069 -4.591 1.00 0.00 C ATOM 869 CG ARG A 557 -16.970 9.455 -4.750 1.00 0.00 C ATOM 870 CD ARG A 557 -16.536 10.088 -6.064 1.00 0.00 C ATOM 871 NE ARG A 557 -15.117 9.858 -6.337 1.00 0.00 N ATOM 872 CZ ARG A 557 -14.140 10.695 -5.981 1.00 0.00 C ATOM 873 NH1 ARG A 557 -14.419 11.805 -5.312 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -12.881 10.410 -6.277 1.00 0.00 N ATOM 0 H ARG A 557 -16.144 8.690 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 557 -18.017 7.073 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -15.301 8.162 -4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -16.527 7.515 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -18.058 9.395 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -16.657 10.086 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -17.134 9.679 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -16.731 11.160 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 557 -14.858 9.004 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -15.385 12.023 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -13.668 12.441 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -12.657 9.550 -6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -12.135 11.050 -6.004 1.00 0.00 H new ATOM 888 N LEU A 558 -15.099 5.940 -2.614 1.00 0.00 N ATOM 889 CA LEU A 558 -14.248 4.756 -2.526 1.00 0.00 C ATOM 890 C LEU A 558 -14.966 3.607 -1.823 1.00 0.00 C ATOM 891 O LEU A 558 -14.988 2.486 -2.317 1.00 0.00 O ATOM 892 CB LEU A 558 -12.951 5.088 -1.790 1.00 0.00 C ATOM 893 CG LEU A 558 -12.204 6.319 -2.311 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.900 6.508 -1.552 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.947 6.207 -3.809 1.00 0.00 C ATOM 0 H LEU A 558 -14.760 6.745 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 558 -14.013 4.439 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -13.179 5.240 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -12.286 4.226 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.830 7.195 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.381 7.387 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.113 6.644 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -10.271 5.628 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -11.415 7.094 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -11.344 5.321 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.898 6.126 -4.336 1.00 0.00 H new ATOM 907 N LEU A 559 -15.554 3.891 -0.668 1.00 0.00 N ATOM 908 CA LEU A 559 -16.285 2.891 0.084 1.00 0.00 C ATOM 909 C LEU A 559 -17.657 2.621 -0.537 1.00 0.00 C ATOM 910 O LEU A 559 -18.443 1.829 -0.014 1.00 0.00 O ATOM 911 CB LEU A 559 -16.431 3.377 1.522 1.00 0.00 C ATOM 912 CG LEU A 559 -15.226 3.143 2.445 1.00 0.00 C ATOM 913 CD1 LEU A 559 -15.254 1.742 3.030 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.904 3.370 1.728 1.00 0.00 C ATOM 0 H LEU A 559 -15.536 4.813 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 559 -15.734 1.951 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -16.644 4.446 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -17.299 2.887 1.962 1.00 0.00 H new ATOM 0 HG LEU A 559 -15.304 3.872 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -14.390 1.602 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -16.168 1.607 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -15.224 1.010 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -13.080 3.193 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -13.824 2.683 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -13.859 4.397 1.365 1.00 0.00 H new ATOM 926 N GLY A 560 -17.939 3.288 -1.651 1.00 0.00 N ATOM 927 CA GLY A 560 -19.191 3.076 -2.349 1.00 0.00 C ATOM 928 C GLY A 560 -18.992 2.326 -3.650 1.00 0.00 C ATOM 929 O GLY A 560 -19.699 1.358 -3.936 1.00 0.00 O ATOM 0 H GLY A 560 -17.320 3.974 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.874 2.517 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -19.661 4.038 -2.553 1.00 0.00 H new ATOM 933 N ASP A 561 -18.027 2.773 -4.437 1.00 0.00 N ATOM 934 CA ASP A 561 -17.707 2.131 -5.702 1.00 0.00 C ATOM 935 C ASP A 561 -16.430 1.313 -5.560 1.00 0.00 C ATOM 936 O ASP A 561 -15.389 1.829 -5.151 1.00 0.00 O ATOM 937 CB ASP A 561 -17.535 3.173 -6.806 1.00 0.00 C ATOM 938 CG ASP A 561 -17.386 2.541 -8.170 1.00 0.00 C ATOM 939 OD1 ASP A 561 -16.283 2.053 -8.488 1.00 0.00 O ATOM 940 OD2 ASP A 561 -18.367 2.534 -8.943 1.00 0.00 O1- ATOM 0 H ASP A 561 -17.448 3.584 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.530 1.470 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -18.396 3.841 -6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -16.658 3.784 -6.593 1.00 0.00 H new ATOM 945 N ALA A 562 -16.507 0.047 -5.933 1.00 0.00 N ATOM 946 CA ALA A 562 -15.429 -0.892 -5.669 1.00 0.00 C ATOM 947 C ALA A 562 -14.228 -0.654 -6.563 1.00 0.00 C ATOM 948 O ALA A 562 -13.096 -0.779 -6.109 1.00 0.00 O ATOM 949 CB ALA A 562 -15.924 -2.322 -5.810 1.00 0.00 C ATOM 0 H ALA A 562 -17.307 -0.356 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 562 -15.102 -0.728 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -15.105 -3.012 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.731 -2.500 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -16.292 -2.481 -6.823 1.00 0.00 H new ATOM 955 N LYS A 563 -14.451 -0.298 -7.823 1.00 0.00 N ATOM 956 CA LYS A 563 -13.332 -0.104 -8.726 1.00 0.00 C ATOM 957 C LYS A 563 -12.697 1.262 -8.495 1.00 0.00 C ATOM 958 O LYS A 563 -11.542 1.475 -8.850 1.00 0.00 O ATOM 959 CB LYS A 563 -13.726 -0.279 -10.199 1.00 0.00 C ATOM 960 CG LYS A 563 -14.374 0.942 -10.827 1.00 0.00 C ATOM 961 CD LYS A 563 -15.815 0.677 -11.216 1.00 0.00 C ATOM 962 CE LYS A 563 -16.445 1.905 -11.855 1.00 0.00 C ATOM 963 NZ LYS A 563 -16.339 3.098 -10.974 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.373 -0.142 -8.231 1.00 0.00 H new ATOM 0 HA LYS A 563 -12.600 -0.881 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -12.835 -0.537 -10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -14.413 -1.122 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -14.334 1.776 -10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.808 1.240 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -15.859 -0.161 -11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -16.386 0.389 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -15.956 2.111 -12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -17.494 1.705 -12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -17.287 3.490 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -15.910 2.823 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -15.745 3.817 -11.434 1.00 0.00 H new ATOM 977 N GLU A 564 -13.443 2.187 -7.892 1.00 0.00 N ATOM 978 CA GLU A 564 -12.855 3.467 -7.522 1.00 0.00 C ATOM 979 C GLU A 564 -11.910 3.285 -6.340 1.00 0.00 C ATOM 980 O GLU A 564 -10.836 3.889 -6.295 1.00 0.00 O ATOM 981 CB GLU A 564 -13.922 4.523 -7.222 1.00 0.00 C ATOM 982 CG GLU A 564 -14.548 5.105 -8.481 1.00 0.00 C ATOM 983 CD GLU A 564 -15.425 6.316 -8.213 1.00 0.00 C ATOM 984 OE1 GLU A 564 -14.874 7.399 -7.898 1.00 0.00 O ATOM 985 OE2 GLU A 564 -16.658 6.202 -8.361 1.00 0.00 O1- ATOM 0 H GLU A 564 -14.429 2.077 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 564 -12.284 3.834 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -14.703 4.078 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -13.476 5.328 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -13.756 5.385 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -15.144 4.335 -8.971 1.00 0.00 H new ATOM 992 N LEU A 565 -12.296 2.431 -5.399 1.00 0.00 N ATOM 993 CA LEU A 565 -11.414 2.073 -4.308 1.00 0.00 C ATOM 994 C LEU A 565 -10.284 1.187 -4.825 1.00 0.00 C ATOM 995 O LEU A 565 -9.123 1.355 -4.444 1.00 0.00 O ATOM 996 CB LEU A 565 -12.199 1.354 -3.214 1.00 0.00 C ATOM 997 CG LEU A 565 -11.424 1.090 -1.926 1.00 0.00 C ATOM 998 CD1 LEU A 565 -10.742 2.360 -1.453 1.00 0.00 C ATOM 999 CD2 LEU A 565 -12.364 0.569 -0.860 1.00 0.00 C ATOM 0 H LEU A 565 -13.210 1.979 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 565 -10.982 2.980 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -13.082 1.946 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -12.552 0.401 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 565 -10.658 0.339 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -10.193 2.157 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -10.050 2.709 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -11.493 3.128 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -11.806 0.382 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -13.141 1.308 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -12.822 -0.359 -1.201 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.635 0.254 -5.707 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.655 -0.642 -6.310 1.00 0.00 C ATOM 1013 C ALA A 566 -8.591 0.140 -7.074 1.00 0.00 C ATOM 1014 O ALA A 566 -7.411 -0.192 -7.013 1.00 0.00 O ATOM 1015 CB ALA A 566 -10.338 -1.639 -7.236 1.00 0.00 C ATOM 0 H ALA A 566 -11.594 0.100 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 566 -9.165 -1.189 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.590 -2.298 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -11.055 -2.232 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.859 -1.102 -8.028 1.00 0.00 H new ATOM 1021 N ASN A 567 -9.019 1.179 -7.786 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.113 2.009 -8.580 1.00 0.00 C ATOM 1023 C ASN A 567 -6.978 2.557 -7.716 1.00 0.00 C ATOM 1024 O ASN A 567 -5.813 2.518 -8.105 1.00 0.00 O ATOM 1025 CB ASN A 567 -8.894 3.163 -9.232 1.00 0.00 C ATOM 1026 CG ASN A 567 -8.012 4.073 -10.069 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -7.770 3.809 -11.247 1.00 0.00 O ATOM 1028 ND2 ASN A 567 -7.558 5.169 -9.478 1.00 0.00 N ATOM 0 H ASN A 567 -9.996 1.469 -7.830 1.00 0.00 H new ATOM 0 HA ASN A 567 -7.674 1.390 -9.362 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -9.684 2.751 -9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -9.380 3.751 -8.454 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -6.985 5.831 -10.002 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -7.782 5.351 -8.500 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.325 3.039 -6.535 1.00 0.00 N ATOM 1036 CA ILE A 568 -6.345 3.590 -5.611 1.00 0.00 C ATOM 1037 C ILE A 568 -5.492 2.481 -4.999 1.00 0.00 C ATOM 1038 O ILE A 568 -4.269 2.589 -4.958 1.00 0.00 O ATOM 1039 CB ILE A 568 -7.030 4.418 -4.494 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -7.675 5.668 -5.096 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -6.039 4.800 -3.399 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -8.379 6.539 -4.079 1.00 0.00 C ATOM 0 H ILE A 568 -8.285 3.060 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.695 4.256 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.804 3.802 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -6.907 6.257 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -8.391 5.365 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -6.551 5.380 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -5.622 3.896 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -5.235 5.397 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.811 7.406 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -9.171 5.967 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -7.663 6.873 -3.328 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.135 1.396 -4.561 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.420 0.290 -3.926 1.00 0.00 C ATOM 1056 C LEU A 569 -4.461 -0.395 -4.900 1.00 0.00 C ATOM 1057 O LEU A 569 -3.463 -0.984 -4.486 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.411 -0.719 -3.340 1.00 0.00 C ATOM 1059 CG LEU A 569 -7.196 -0.207 -2.130 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -8.250 -1.218 -1.702 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -6.251 0.098 -0.972 1.00 0.00 C ATOM 0 H LEU A 569 -7.143 1.261 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 569 -4.820 0.703 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -7.116 -1.010 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -5.867 -1.618 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 569 -7.703 0.714 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -8.795 -0.833 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -8.945 -1.389 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -7.766 -2.157 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -6.825 0.461 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -5.717 -0.809 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -5.535 0.860 -1.278 1.00 0.00 H new ATOM 1073 N LYS A 570 -4.753 -0.305 -6.195 1.00 0.00 N ATOM 1074 CA LYS A 570 -3.874 -0.873 -7.216 1.00 0.00 C ATOM 1075 C LYS A 570 -2.613 -0.029 -7.400 1.00 0.00 C ATOM 1076 O LYS A 570 -1.651 -0.467 -8.027 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.604 -1.024 -8.556 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.649 -2.126 -8.552 1.00 0.00 C ATOM 1079 CD LYS A 570 -6.299 -2.291 -9.917 1.00 0.00 C ATOM 1080 CE LYS A 570 -7.303 -3.433 -9.919 1.00 0.00 C ATOM 1081 NZ LYS A 570 -7.864 -3.686 -11.273 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.587 0.153 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.578 -1.863 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.084 -0.079 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -3.873 -1.229 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -5.185 -3.066 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -6.414 -1.899 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -6.799 -1.364 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -5.531 -2.479 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -6.821 -4.339 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -8.114 -3.202 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -8.543 -4.472 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -8.348 -2.831 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -7.094 -3.932 -11.927 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.619 1.180 -6.862 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.454 2.052 -6.942 1.00 0.00 C ATOM 1097 C TYR A 571 -0.561 1.846 -5.719 1.00 0.00 C ATOM 1098 O TYR A 571 0.622 2.175 -5.735 1.00 0.00 O ATOM 1099 CB TYR A 571 -1.901 3.516 -7.082 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.802 4.546 -6.909 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.169 4.730 -7.884 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.749 5.342 -5.771 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.162 5.677 -7.730 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.241 6.290 -5.609 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.194 6.454 -6.589 1.00 0.00 C ATOM 1106 OH TYR A 571 2.181 7.397 -6.426 1.00 0.00 O ATOM 0 H TYR A 571 -3.415 1.581 -6.366 1.00 0.00 H new ATOM 0 HA TYR A 571 -0.869 1.798 -7.826 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.350 3.649 -8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.681 3.713 -6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.147 4.123 -8.777 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.495 5.217 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 571 1.910 5.809 -8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 571 0.268 6.900 -4.718 1.00 0.00 H new ATOM 0 HH TYR A 571 2.936 7.186 -7.014 1.00 0.00 H new ATOM 1116 N HIS A 572 -1.137 1.261 -4.676 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.383 0.909 -3.474 1.00 0.00 C ATOM 1118 C HIS A 572 0.485 -0.317 -3.723 1.00 0.00 C ATOM 1119 O HIS A 572 1.376 -0.636 -2.937 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.339 0.643 -2.305 1.00 0.00 C ATOM 1121 CG HIS A 572 -1.888 1.891 -1.694 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -1.828 2.315 -0.413 1.00 0.00 N flip ATOM 1123 CD2 HIS A 572 -2.519 2.840 -2.452 1.00 0.00 C flip ATOM 1124 CE1 HIS A 572 -2.421 3.550 -0.372 1.00 0.00 C flip ATOM 1125 NE2 HIS A 572 -2.816 3.820 -1.627 1.00 0.00 N flip ATOM 0 H HIS A 572 -2.127 1.019 -4.636 1.00 0.00 H new ATOM 0 HA HIS A 572 0.264 1.748 -3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -2.165 0.024 -2.654 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -0.815 0.072 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -2.730 2.794 -3.510 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -2.546 4.180 0.496 1.00 0.00 H new ATOM 0 HE2 HIS A 572 -3.288 4.680 -1.906 1.00 0.00 H new ATOM 1133 N ILE A 573 0.218 -0.990 -4.828 1.00 0.00 N ATOM 1134 CA ILE A 573 0.921 -2.209 -5.193 1.00 0.00 C ATOM 1135 C ILE A 573 1.835 -1.943 -6.389 1.00 0.00 C ATOM 1136 O ILE A 573 1.452 -1.230 -7.312 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.103 -3.321 -5.551 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.115 -3.499 -4.417 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.592 -4.645 -5.855 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.290 -4.378 -4.786 1.00 0.00 C ATOM 0 H ILE A 573 -0.495 -0.706 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 573 1.525 -2.538 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 573 -0.632 -3.008 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.608 -3.928 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.486 -2.519 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.155 -5.400 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 573 1.269 -4.515 -6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 573 1.159 -4.967 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.965 -4.459 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -2.822 -3.939 -5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -1.931 -5.370 -5.060 1.00 0.00 H new ATOM 1152 N GLY A 574 3.048 -2.483 -6.355 1.00 0.00 N ATOM 1153 CA GLY A 574 3.924 -2.426 -7.516 1.00 0.00 C ATOM 1154 C GLY A 574 4.028 -3.781 -8.189 1.00 0.00 C ATOM 1155 O GLY A 574 3.677 -4.793 -7.582 1.00 0.00 O ATOM 0 H GLY A 574 3.443 -2.960 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.544 -1.692 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.915 -2.091 -7.211 1.00 0.00 H new ATOM 1159 N ASP A 575 4.527 -3.812 -9.423 1.00 0.00 N ATOM 1160 CA ASP A 575 4.502 -5.032 -10.230 1.00 0.00 C ATOM 1161 C ASP A 575 5.620 -6.007 -9.849 1.00 0.00 C ATOM 1162 O ASP A 575 5.628 -7.152 -10.297 1.00 0.00 O ATOM 1163 CB ASP A 575 4.588 -4.691 -11.721 1.00 0.00 C ATOM 1164 CG ASP A 575 5.983 -4.302 -12.177 1.00 0.00 C ATOM 1165 OD1 ASP A 575 6.487 -3.245 -11.748 1.00 0.00 O1- ATOM 1166 OD2 ASP A 575 6.574 -5.052 -12.984 1.00 0.00 O ATOM 0 H ASP A 575 4.953 -3.009 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 575 3.553 -5.528 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 575 4.252 -5.550 -12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 575 3.902 -3.872 -11.938 1.00 0.00 H new ATOM 1171 N GLU A 576 6.558 -5.557 -9.027 1.00 0.00 N ATOM 1172 CA GLU A 576 7.655 -6.407 -8.586 1.00 0.00 C ATOM 1173 C GLU A 576 8.035 -6.095 -7.157 1.00 0.00 C ATOM 1174 O GLU A 576 7.565 -5.110 -6.591 1.00 0.00 O ATOM 1175 CB GLU A 576 8.866 -6.239 -9.505 1.00 0.00 C ATOM 1176 CG GLU A 576 9.350 -4.804 -9.633 1.00 0.00 C ATOM 1177 CD GLU A 576 10.545 -4.678 -10.557 1.00 0.00 C ATOM 1178 OE1 GLU A 576 11.682 -4.918 -10.100 1.00 0.00 O1- ATOM 1179 OE2 GLU A 576 10.350 -4.348 -11.748 1.00 0.00 O ATOM 0 H GLU A 576 6.581 -4.609 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 576 7.321 -7.444 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 576 9.683 -6.855 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 576 8.612 -6.616 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.537 -4.181 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.615 -4.423 -8.647 1.00 0.00 H new ATOM 1186 N ILE A 577 8.877 -6.936 -6.569 1.00 0.00 N ATOM 1187 CA ILE A 577 9.250 -6.756 -5.183 1.00 0.00 C ATOM 1188 C ILE A 577 10.458 -5.831 -5.067 1.00 0.00 C ATOM 1189 O ILE A 577 11.508 -6.084 -5.658 1.00 0.00 O ATOM 1190 CB ILE A 577 9.580 -8.091 -4.481 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.593 -9.188 -4.896 1.00 0.00 C ATOM 1192 CG2 ILE A 577 9.565 -7.904 -2.970 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.903 -10.537 -4.285 1.00 0.00 C ATOM 0 H ILE A 577 9.307 -7.739 -7.029 1.00 0.00 H new ATOM 0 HA ILE A 577 8.385 -6.313 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 577 10.578 -8.404 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.586 -8.889 -4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 577 8.598 -9.279 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 577 9.799 -8.851 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.308 -7.158 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 577 8.577 -7.569 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 577 8.166 -11.266 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.898 -10.857 -4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 577 8.869 -10.461 -3.198 1.00 0.00 H new ATOM 1205 N LEU A 578 10.295 -4.756 -4.319 1.00 0.00 N ATOM 1206 CA LEU A 578 11.375 -3.823 -4.057 1.00 0.00 C ATOM 1207 C LEU A 578 11.520 -3.616 -2.554 1.00 0.00 C ATOM 1208 O LEU A 578 10.827 -2.796 -1.960 1.00 0.00 O ATOM 1209 CB LEU A 578 11.107 -2.485 -4.750 1.00 0.00 C ATOM 1210 CG LEU A 578 12.198 -1.427 -4.578 1.00 0.00 C ATOM 1211 CD1 LEU A 578 13.491 -1.876 -5.242 1.00 0.00 C ATOM 1212 CD2 LEU A 578 11.736 -0.092 -5.147 1.00 0.00 C ATOM 0 H LEU A 578 9.411 -4.505 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 578 12.302 -4.236 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.967 -2.669 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 578 10.169 -2.080 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 578 12.391 -1.300 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 578 14.254 -1.109 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 578 13.829 -2.807 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 578 13.318 -2.033 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 578 12.523 0.651 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 578 11.516 -0.206 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 578 10.838 0.236 -4.623 1.00 0.00 H new ATOM 1224 N VAL A 579 12.400 -4.390 -1.942 1.00 0.00 N ATOM 1225 CA VAL A 579 12.599 -4.328 -0.503 1.00 0.00 C ATOM 1226 C VAL A 579 13.604 -3.247 -0.137 1.00 0.00 C ATOM 1227 O VAL A 579 14.152 -2.572 -1.012 1.00 0.00 O ATOM 1228 CB VAL A 579 13.085 -5.680 0.060 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.009 -6.738 -0.102 1.00 0.00 C ATOM 1230 CG2 VAL A 579 14.374 -6.122 -0.621 1.00 0.00 C ATOM 0 H VAL A 579 12.990 -5.071 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 579 11.632 -4.088 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 579 13.291 -5.551 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 579 12.367 -7.686 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 579 11.113 -6.431 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 579 11.773 -6.858 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 579 14.695 -7.077 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.201 -6.231 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.149 -5.374 -0.453 1.00 0.00 H new ATOM 1240 N SER A 580 13.852 -3.099 1.155 1.00 0.00 N ATOM 1241 CA SER A 580 14.794 -2.108 1.657 1.00 0.00 C ATOM 1242 C SER A 580 16.205 -2.386 1.140 1.00 0.00 C ATOM 1243 O SER A 580 17.042 -1.488 1.073 1.00 0.00 O ATOM 1244 CB SER A 580 14.786 -2.092 3.185 1.00 0.00 C ATOM 1245 OG SER A 580 13.460 -2.026 3.674 1.00 0.00 O ATOM 0 H SER A 580 13.409 -3.659 1.883 1.00 0.00 H new ATOM 0 HA SER A 580 14.482 -1.129 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 580 15.276 -2.988 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 580 15.357 -1.237 3.548 1.00 0.00 H new ATOM 0 HG SER A 580 13.010 -2.882 3.514 1.00 0.00 H new ATOM 1251 N GLY A 581 16.463 -3.638 0.774 1.00 0.00 N ATOM 1252 CA GLY A 581 17.734 -3.983 0.164 1.00 0.00 C ATOM 1253 C GLY A 581 17.859 -3.401 -1.232 1.00 0.00 C ATOM 1254 O GLY A 581 18.953 -3.309 -1.784 1.00 0.00 O ATOM 0 H GLY A 581 15.816 -4.418 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.549 -3.615 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 581 17.833 -5.067 0.117 1.00 0.00 H new ATOM 1258 N GLY A 582 16.723 -3.013 -1.799 1.00 0.00 N ATOM 1259 CA GLY A 582 16.702 -2.387 -3.103 1.00 0.00 C ATOM 1260 C GLY A 582 16.572 -0.881 -2.993 1.00 0.00 C ATOM 1261 O GLY A 582 17.111 -0.142 -3.812 1.00 0.00 O ATOM 0 H GLY A 582 15.805 -3.124 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.616 -2.636 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 582 15.870 -2.784 -3.685 1.00 0.00 H new ATOM 1265 N ILE A 583 15.835 -0.440 -1.979 1.00 0.00 N ATOM 1266 CA ILE A 583 15.681 0.979 -1.666 1.00 0.00 C ATOM 1267 C ILE A 583 17.035 1.584 -1.300 1.00 0.00 C ATOM 1268 O ILE A 583 17.520 1.409 -0.185 1.00 0.00 O ATOM 1269 CB ILE A 583 14.688 1.155 -0.487 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.341 0.524 -0.847 1.00 0.00 C ATOM 1271 CG2 ILE A 583 14.498 2.624 -0.104 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.365 0.475 0.306 1.00 0.00 C ATOM 0 H ILE A 583 15.325 -1.058 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 583 15.288 1.494 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 583 15.112 0.649 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.894 1.087 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.510 -0.489 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.794 2.696 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 583 15.456 3.049 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 583 14.108 3.175 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.434 0.015 -0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 583 12.791 -0.113 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 583 12.165 1.487 0.657 1.00 0.00 H new ATOM 1284 N GLY A 584 17.656 2.266 -2.254 1.00 0.00 N ATOM 1285 CA GLY A 584 18.977 2.824 -2.021 1.00 0.00 C ATOM 1286 C GLY A 584 19.020 4.327 -2.196 1.00 0.00 C ATOM 1287 O GLY A 584 19.125 5.067 -1.224 1.00 0.00 O ATOM 0 H GLY A 584 17.272 2.443 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 584 19.300 2.571 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 584 19.687 2.363 -2.707 1.00 0.00 H new ATOM 1291 N ALA A 585 18.953 4.780 -3.437 1.00 0.00 N ATOM 1292 CA ALA A 585 18.960 6.204 -3.729 1.00 0.00 C ATOM 1293 C ALA A 585 17.543 6.702 -3.964 1.00 0.00 C ATOM 1294 O ALA A 585 16.899 7.228 -3.054 1.00 0.00 O ATOM 1295 CB ALA A 585 19.845 6.499 -4.933 1.00 0.00 C ATOM 0 H ALA A 585 18.893 4.181 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 585 19.371 6.733 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.838 7.570 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.865 6.177 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.467 5.962 -5.803 1.00 0.00 H new ATOM 1301 N LEU A 586 17.049 6.509 -5.180 1.00 0.00 N ATOM 1302 CA LEU A 586 15.688 6.879 -5.523 1.00 0.00 C ATOM 1303 C LEU A 586 15.218 6.028 -6.693 1.00 0.00 C ATOM 1304 O LEU A 586 15.786 6.087 -7.784 1.00 0.00 O ATOM 1305 CB LEU A 586 15.599 8.372 -5.868 1.00 0.00 C ATOM 1306 CG LEU A 586 14.196 8.996 -5.773 1.00 0.00 C ATOM 1307 CD1 LEU A 586 14.292 10.511 -5.797 1.00 0.00 C ATOM 1308 CD2 LEU A 586 13.287 8.511 -6.898 1.00 0.00 C ATOM 0 H LEU A 586 17.577 6.095 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 586 15.041 6.700 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 586 16.266 8.920 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.972 8.515 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 586 13.756 8.678 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 586 13.292 10.940 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 586 14.891 10.851 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 586 14.762 10.831 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 586 12.305 8.973 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.720 8.785 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 586 13.185 7.427 -6.842 1.00 0.00 H new ATOM 1320 N VAL A 587 14.190 5.236 -6.455 1.00 0.00 N ATOM 1321 CA VAL A 587 13.666 4.330 -7.460 1.00 0.00 C ATOM 1322 C VAL A 587 12.200 4.629 -7.734 1.00 0.00 C ATOM 1323 O VAL A 587 11.410 4.812 -6.810 1.00 0.00 O ATOM 1324 CB VAL A 587 13.807 2.852 -7.028 1.00 0.00 C ATOM 1325 CG1 VAL A 587 13.277 1.916 -8.107 1.00 0.00 C ATOM 1326 CG2 VAL A 587 15.255 2.526 -6.705 1.00 0.00 C ATOM 0 H VAL A 587 13.696 5.202 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 587 14.251 4.484 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 587 13.210 2.705 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 587 13.388 0.883 -7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 587 12.223 2.129 -8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 587 13.840 2.066 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 587 15.334 1.482 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 587 15.872 2.696 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 587 15.599 3.166 -5.892 1.00 0.00 H new ATOM 1336 N ARG A 588 11.851 4.688 -9.003 1.00 0.00 N ATOM 1337 CA ARG A 588 10.470 4.861 -9.407 1.00 0.00 C ATOM 1338 C ARG A 588 9.917 3.543 -9.934 1.00 0.00 C ATOM 1339 O ARG A 588 10.313 3.075 -11.000 1.00 0.00 O ATOM 1340 CB ARG A 588 10.352 5.964 -10.461 1.00 0.00 C ATOM 1341 CG ARG A 588 10.570 7.362 -9.897 1.00 0.00 C ATOM 1342 CD ARG A 588 10.547 8.427 -10.984 1.00 0.00 C ATOM 1343 NE ARG A 588 11.758 8.413 -11.803 1.00 0.00 N ATOM 1344 CZ ARG A 588 11.918 9.139 -12.909 1.00 0.00 C ATOM 1345 NH1 ARG A 588 10.916 9.879 -13.374 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 13.075 9.113 -13.560 1.00 0.00 N ATOM 0 H ARG A 588 12.510 4.618 -9.778 1.00 0.00 H new ATOM 0 HA ARG A 588 9.882 5.163 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 588 11.080 5.781 -11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 588 9.364 5.915 -10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 588 9.797 7.580 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 588 11.527 7.397 -9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 588 9.678 8.272 -11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 588 10.434 9.409 -10.525 1.00 0.00 H new ATOM 0 HE ARG A 588 12.527 7.811 -11.510 1.00 0.00 H new ATOM 0 HH11 ARG A 588 10.022 9.892 -12.884 1.00 0.00 H new ATOM 0 HH12 ARG A 588 11.042 10.434 -14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 588 13.842 8.537 -13.214 1.00 0.00 H new ATOM 0 HH22 ARG A 588 13.197 9.669 -14.406 1.00 0.00 H new ATOM 1360 N LEU A 589 9.013 2.951 -9.172 1.00 0.00 N ATOM 1361 CA LEU A 589 8.460 1.645 -9.488 1.00 0.00 C ATOM 1362 C LEU A 589 7.029 1.817 -9.982 1.00 0.00 C ATOM 1363 O LEU A 589 6.221 2.464 -9.321 1.00 0.00 O ATOM 1364 CB LEU A 589 8.483 0.767 -8.229 1.00 0.00 C ATOM 1365 CG LEU A 589 8.763 -0.725 -8.438 1.00 0.00 C ATOM 1366 CD1 LEU A 589 8.712 -1.458 -7.110 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.778 -1.341 -9.410 1.00 0.00 C ATOM 0 H LEU A 589 8.641 3.363 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 589 9.053 1.165 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 589 9.239 1.164 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 589 7.521 0.866 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 589 9.762 -0.822 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 589 8.912 -2.517 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 589 9.463 -1.045 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 589 7.723 -1.339 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 589 8.005 -2.400 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 589 6.766 -1.230 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 589 7.854 -0.837 -10.373 1.00 0.00 H new ATOM 1379 N LYS A 590 6.719 1.253 -11.136 1.00 0.00 N ATOM 1380 CA LYS A 590 5.374 1.357 -11.679 1.00 0.00 C ATOM 1381 C LYS A 590 4.412 0.492 -10.867 1.00 0.00 C ATOM 1382 O LYS A 590 4.789 -0.557 -10.353 1.00 0.00 O ATOM 1383 CB LYS A 590 5.336 0.933 -13.145 1.00 0.00 C ATOM 1384 CG LYS A 590 4.022 1.288 -13.820 1.00 0.00 C ATOM 1385 CD LYS A 590 3.909 0.673 -15.199 1.00 0.00 C ATOM 1386 CE LYS A 590 2.630 1.113 -15.894 1.00 0.00 C ATOM 1387 NZ LYS A 590 2.453 0.449 -17.213 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.373 0.723 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 590 5.066 2.401 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 590 6.156 1.412 -13.680 1.00 0.00 H new ATOM 0 HB3 LYS A 590 5.496 -0.143 -13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 590 3.192 0.946 -13.201 1.00 0.00 H new ATOM 0 HG3 LYS A 590 3.936 2.372 -13.898 1.00 0.00 H new ATOM 0 HD2 LYS A 590 4.771 0.962 -15.801 1.00 0.00 H new ATOM 0 HD3 LYS A 590 3.927 -0.414 -15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.775 0.886 -15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.646 2.194 -16.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 1.569 0.778 -17.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 3.255 0.686 -17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 2.411 -0.582 -17.080 1.00 0.00 H new ATOM 1401 N SER A 591 3.174 0.938 -10.758 1.00 0.00 N ATOM 1402 CA SER A 591 2.176 0.224 -9.980 1.00 0.00 C ATOM 1403 C SER A 591 1.138 -0.423 -10.905 1.00 0.00 C ATOM 1404 O SER A 591 1.217 -0.303 -12.129 1.00 0.00 O ATOM 1405 CB SER A 591 1.475 1.186 -9.018 1.00 0.00 C ATOM 1406 OG SER A 591 0.687 2.109 -9.741 1.00 0.00 O ATOM 0 H SER A 591 2.834 1.793 -11.199 1.00 0.00 H new ATOM 0 HA SER A 591 2.678 -0.557 -9.409 1.00 0.00 H new ATOM 0 HB2 SER A 591 0.848 0.626 -8.324 1.00 0.00 H new ATOM 0 HB3 SER A 591 2.215 1.718 -8.420 1.00 0.00 H new ATOM 0 HG SER A 591 1.267 2.663 -10.304 1.00 0.00 H new ATOM 1412 N LEU A 592 0.153 -1.071 -10.304 1.00 0.00 N ATOM 1413 CA LEU A 592 -0.925 -1.731 -11.033 1.00 0.00 C ATOM 1414 C LEU A 592 -1.897 -0.705 -11.612 1.00 0.00 C ATOM 1415 O LEU A 592 -2.419 -0.882 -12.715 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.701 -2.678 -10.106 1.00 0.00 C ATOM 1417 CG LEU A 592 -0.934 -3.885 -9.540 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -0.548 -4.852 -10.625 1.00 0.00 C ATOM 1419 CD2 LEU A 592 0.322 -3.471 -8.818 1.00 0.00 C ATOM 0 H LEU A 592 0.076 -1.156 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.473 -2.300 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.081 -2.095 -9.267 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.567 -3.053 -10.652 1.00 0.00 H new ATOM 0 HG LEU A 592 -1.615 -4.365 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 592 -0.008 -5.692 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -1.446 -5.217 -11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 592 0.090 -4.348 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 592 0.830 -4.356 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 592 0.981 -2.944 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 592 0.064 -2.813 -7.988 1.00 0.00 H new ATOM 1431 N GLN A 593 -2.150 0.360 -10.848 1.00 0.00 N ATOM 1432 CA GLN A 593 -3.038 1.429 -11.297 1.00 0.00 C ATOM 1433 C GLN A 593 -2.446 2.123 -12.518 1.00 0.00 C ATOM 1434 O GLN A 593 -3.163 2.589 -13.402 1.00 0.00 O ATOM 1435 CB GLN A 593 -3.231 2.460 -10.189 1.00 0.00 C ATOM 1436 CG GLN A 593 -4.094 3.630 -10.617 1.00 0.00 C ATOM 1437 CD GLN A 593 -3.881 4.863 -9.769 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -3.034 5.695 -10.086 1.00 0.00 O ATOM 1439 NE2 GLN A 593 -4.634 4.987 -8.688 1.00 0.00 N ATOM 0 H GLN A 593 -1.753 0.503 -9.919 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.001 0.987 -11.554 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -3.686 1.976 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -2.257 2.831 -9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -3.880 3.871 -11.658 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -5.143 3.338 -10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.325 4.271 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -4.523 5.798 -8.080 1.00 0.00 H new ATOM 1448 N GLY A 594 -1.130 2.159 -12.564 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.450 2.637 -13.748 1.00 0.00 C ATOM 1450 C GLY A 594 0.530 3.760 -13.481 1.00 0.00 C ATOM 1451 O GLY A 594 1.394 4.024 -14.313 1.00 0.00 O ATOM 0 H GLY A 594 -0.516 1.866 -11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 594 0.082 1.806 -14.210 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -1.193 2.980 -14.468 1.00 0.00 H new ATOM 1455 N ASP A 595 0.418 4.426 -12.337 1.00 0.00 N ATOM 1456 CA ASP A 595 1.327 5.524 -12.039 1.00 0.00 C ATOM 1457 C ASP A 595 2.617 4.997 -11.403 1.00 0.00 C ATOM 1458 O ASP A 595 2.886 3.792 -11.438 1.00 0.00 O ATOM 1459 CB ASP A 595 0.652 6.560 -11.130 1.00 0.00 C ATOM 1460 CG ASP A 595 1.287 7.938 -11.261 1.00 0.00 C ATOM 1461 OD1 ASP A 595 0.900 8.685 -12.184 1.00 0.00 O1- ATOM 1462 OD2 ASP A 595 2.192 8.262 -10.465 1.00 0.00 O ATOM 0 H ASP A 595 -0.277 4.231 -11.616 1.00 0.00 H new ATOM 0 HA ASP A 595 1.586 6.018 -12.976 1.00 0.00 H new ATOM 0 HB2 ASP A 595 -0.407 6.624 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 595 0.716 6.229 -10.094 1.00 0.00 H new ATOM 1467 N LYS A 596 3.401 5.890 -10.822 1.00 0.00 N ATOM 1468 CA LYS A 596 4.732 5.559 -10.337 1.00 0.00 C ATOM 1469 C LYS A 596 4.833 5.702 -8.824 1.00 0.00 C ATOM 1470 O LYS A 596 4.385 6.692 -8.246 1.00 0.00 O ATOM 1471 CB LYS A 596 5.759 6.486 -10.990 1.00 0.00 C ATOM 1472 CG LYS A 596 5.340 7.945 -10.937 1.00 0.00 C ATOM 1473 CD LYS A 596 6.500 8.897 -11.144 1.00 0.00 C ATOM 1474 CE LYS A 596 6.012 10.339 -11.181 1.00 0.00 C ATOM 1475 NZ LYS A 596 5.115 10.654 -10.029 1.00 0.00 N1+ ATOM 0 H LYS A 596 3.134 6.863 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 596 4.931 4.520 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 596 6.720 6.369 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 596 5.903 6.190 -12.029 1.00 0.00 H new ATOM 0 HG2 LYS A 596 4.584 8.129 -11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 596 4.875 8.150 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 596 7.226 8.774 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 596 7.012 8.657 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 596 6.869 11.013 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 596 5.480 10.518 -12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 4.982 11.683 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 4.193 10.194 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 5.544 10.304 -9.149 1.00 0.00 H new ATOM 1489 N LEU A 597 5.429 4.708 -8.192 1.00 0.00 N ATOM 1490 CA LEU A 597 5.780 4.800 -6.790 1.00 0.00 C ATOM 1491 C LEU A 597 7.193 5.353 -6.672 1.00 0.00 C ATOM 1492 O LEU A 597 8.154 4.726 -7.117 1.00 0.00 O ATOM 1493 CB LEU A 597 5.693 3.424 -6.116 1.00 0.00 C ATOM 1494 CG LEU A 597 4.305 2.778 -6.118 1.00 0.00 C ATOM 1495 CD1 LEU A 597 4.342 1.431 -5.410 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.298 3.695 -5.447 1.00 0.00 C ATOM 0 H LEU A 597 5.681 3.823 -8.632 1.00 0.00 H new ATOM 0 HA LEU A 597 5.078 5.465 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 597 6.390 2.750 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 597 6.028 3.522 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 597 4.000 2.617 -7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 597 3.347 0.987 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 597 5.041 0.770 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.665 1.571 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.315 3.224 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.604 3.879 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.251 4.641 -5.986 1.00 0.00 H new ATOM 1508 N GLU A 598 7.311 6.533 -6.088 1.00 0.00 N ATOM 1509 CA GLU A 598 8.604 7.191 -5.940 1.00 0.00 C ATOM 1510 C GLU A 598 9.220 6.843 -4.596 1.00 0.00 C ATOM 1511 O GLU A 598 8.825 7.399 -3.576 1.00 0.00 O ATOM 1512 CB GLU A 598 8.437 8.706 -6.061 1.00 0.00 C ATOM 1513 CG GLU A 598 7.909 9.159 -7.413 1.00 0.00 C ATOM 1514 CD GLU A 598 7.474 10.608 -7.406 1.00 0.00 C ATOM 1515 OE1 GLU A 598 8.314 11.490 -7.137 1.00 0.00 O ATOM 1516 OE2 GLU A 598 6.285 10.873 -7.662 1.00 0.00 O1- ATOM 0 H GLU A 598 6.525 7.059 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 598 9.267 6.842 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 598 7.757 9.051 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 598 9.399 9.184 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 598 8.683 9.018 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 598 7.066 8.531 -7.700 1.00 0.00 H new ATOM 1523 N VAL A 599 10.166 5.912 -4.600 1.00 0.00 N ATOM 1524 CA VAL A 599 10.768 5.424 -3.375 1.00 0.00 C ATOM 1525 C VAL A 599 12.205 5.923 -3.224 1.00 0.00 C ATOM 1526 O VAL A 599 12.997 5.820 -4.155 1.00 0.00 O ATOM 1527 CB VAL A 599 10.760 3.884 -3.324 1.00 0.00 C ATOM 1528 CG1 VAL A 599 11.280 3.389 -1.983 1.00 0.00 C ATOM 1529 CG2 VAL A 599 9.362 3.350 -3.593 1.00 0.00 C ATOM 0 H VAL A 599 10.532 5.479 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 599 10.168 5.812 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 599 11.424 3.510 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 599 11.266 2.299 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 599 12.301 3.741 -1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 599 10.646 3.771 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 599 9.375 2.261 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.675 3.733 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 599 9.033 3.673 -4.581 1.00 0.00 H new ATOM 1539 N SER A 600 12.543 6.467 -2.058 1.00 0.00 N ATOM 1540 CA SER A 600 13.896 6.958 -1.829 1.00 0.00 C ATOM 1541 C SER A 600 14.410 6.484 -0.473 1.00 0.00 C ATOM 1542 O SER A 600 13.622 6.117 0.391 1.00 0.00 O ATOM 1543 CB SER A 600 13.897 8.491 -1.909 1.00 0.00 C ATOM 1544 OG SER A 600 15.208 9.028 -1.846 1.00 0.00 O ATOM 0 H SER A 600 11.908 6.578 -1.268 1.00 0.00 H new ATOM 0 HA SER A 600 14.562 6.562 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 600 13.421 8.805 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 600 13.300 8.897 -1.092 1.00 0.00 H new ATOM 0 HG SER A 600 15.812 8.481 -2.390 1.00 0.00 H new ATOM 1550 N LEU A 601 15.724 6.450 -0.303 1.00 0.00 N ATOM 1551 CA LEU A 601 16.321 6.160 0.992 1.00 0.00 C ATOM 1552 C LEU A 601 17.348 7.222 1.341 1.00 0.00 C ATOM 1553 O LEU A 601 18.329 7.406 0.619 1.00 0.00 O ATOM 1554 CB LEU A 601 16.996 4.788 0.997 1.00 0.00 C ATOM 1555 CG LEU A 601 17.650 4.404 2.325 1.00 0.00 C ATOM 1556 CD1 LEU A 601 16.597 4.230 3.402 1.00 0.00 C ATOM 1557 CD2 LEU A 601 18.478 3.141 2.174 1.00 0.00 C ATOM 0 H LEU A 601 16.399 6.620 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 601 15.522 6.158 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 601 16.254 4.032 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 601 17.755 4.768 0.215 1.00 0.00 H new ATOM 0 HG LEU A 601 18.319 5.211 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 601 17.079 3.957 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 601 16.052 5.165 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 601 15.902 3.443 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 601 18.933 2.888 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 601 17.836 2.322 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 601 19.260 3.305 1.433 1.00 0.00 H new ATOM 1569 N LYS A 602 17.124 7.933 2.433 1.00 0.00 N ATOM 1570 CA LYS A 602 18.082 8.923 2.883 1.00 0.00 C ATOM 1571 C LYS A 602 17.989 9.095 4.389 1.00 0.00 C ATOM 1572 O LYS A 602 16.897 9.264 4.927 1.00 0.00 O ATOM 1573 CB LYS A 602 17.841 10.258 2.176 1.00 0.00 C ATOM 1574 CG LYS A 602 19.040 11.190 2.228 1.00 0.00 C ATOM 1575 CD LYS A 602 20.265 10.535 1.603 1.00 0.00 C ATOM 1576 CE LYS A 602 21.481 11.444 1.646 1.00 0.00 C ATOM 1577 NZ LYS A 602 21.860 11.802 3.035 1.00 0.00 N1+ ATOM 0 H LYS A 602 16.294 7.843 3.019 1.00 0.00 H new ATOM 0 HA LYS A 602 19.085 8.578 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 602 17.582 10.068 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 602 16.984 10.754 2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 602 18.809 12.116 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 602 19.254 11.457 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 602 20.488 9.607 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 602 20.046 10.271 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 602 22.321 10.949 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 602 21.274 12.353 1.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 22.800 12.248 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 21.162 12.466 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 21.885 10.943 3.620 1.00 0.00 H new ATOM 1591 N ASN A 603 19.137 9.029 5.063 1.00 0.00 N ATOM 1592 CA ASN A 603 19.198 9.156 6.522 1.00 0.00 C ATOM 1593 C ASN A 603 18.352 8.076 7.190 1.00 0.00 C ATOM 1594 O ASN A 603 17.768 8.298 8.251 1.00 0.00 O ATOM 1595 CB ASN A 603 18.736 10.549 6.972 1.00 0.00 C ATOM 1596 CG ASN A 603 19.633 11.662 6.455 1.00 0.00 C ATOM 1597 OD1 ASN A 603 20.836 11.471 6.264 1.00 0.00 O ATOM 1598 ND2 ASN A 603 19.057 12.826 6.214 1.00 0.00 N ATOM 0 H ASN A 603 20.044 8.887 4.619 1.00 0.00 H new ATOM 0 HA ASN A 603 20.236 9.025 6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 603 17.717 10.719 6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 603 18.711 10.585 8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 603 19.611 13.605 5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 603 18.059 12.946 6.384 1.00 0.00 H new ATOM 1605 N ASN A 604 18.307 6.906 6.544 1.00 0.00 N ATOM 1606 CA ASN A 604 17.562 5.738 7.027 1.00 0.00 C ATOM 1607 C ASN A 604 16.056 5.904 6.802 1.00 0.00 C ATOM 1608 O ASN A 604 15.275 4.996 7.083 1.00 0.00 O ATOM 1609 CB ASN A 604 17.852 5.455 8.510 1.00 0.00 C ATOM 1610 CG ASN A 604 17.366 4.082 8.953 1.00 0.00 C ATOM 1611 OD1 ASN A 604 17.532 3.083 8.097 1.00 0.00 O flip ATOM 1612 ND2 ASN A 604 16.874 3.913 10.072 1.00 0.00 N flip ATOM 0 H ASN A 604 18.792 6.741 5.662 1.00 0.00 H new ATOM 0 HA ASN A 604 17.903 4.881 6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 604 18.925 5.530 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 604 17.374 6.220 9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 604 16.761 4.705 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 604 16.580 2.981 10.364 1.00 0.00 H new ATOM 1619 N VAL A 605 15.647 7.052 6.275 1.00 0.00 N ATOM 1620 CA VAL A 605 14.239 7.304 6.016 1.00 0.00 C ATOM 1621 C VAL A 605 13.875 6.931 4.582 1.00 0.00 C ATOM 1622 O VAL A 605 14.358 7.539 3.623 1.00 0.00 O ATOM 1623 CB VAL A 605 13.867 8.781 6.268 1.00 0.00 C ATOM 1624 CG1 VAL A 605 12.376 9.011 6.053 1.00 0.00 C ATOM 1625 CG2 VAL A 605 14.276 9.204 7.670 1.00 0.00 C ATOM 0 H VAL A 605 16.269 7.819 6.020 1.00 0.00 H new ATOM 0 HA VAL A 605 13.673 6.681 6.708 1.00 0.00 H new ATOM 0 HB VAL A 605 14.412 9.394 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 605 12.139 10.059 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 605 12.112 8.754 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 605 11.808 8.385 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 605 14.006 10.248 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 605 13.763 8.581 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 605 15.354 9.087 7.786 1.00 0.00 H new ATOM 1635 N VAL A 606 13.040 5.914 4.443 1.00 0.00 N ATOM 1636 CA VAL A 606 12.517 5.525 3.144 1.00 0.00 C ATOM 1637 C VAL A 606 11.409 6.488 2.734 1.00 0.00 C ATOM 1638 O VAL A 606 10.548 6.823 3.541 1.00 0.00 O ATOM 1639 CB VAL A 606 11.967 4.082 3.164 1.00 0.00 C ATOM 1640 CG1 VAL A 606 11.452 3.671 1.792 1.00 0.00 C ATOM 1641 CG2 VAL A 606 13.030 3.112 3.648 1.00 0.00 C ATOM 0 H VAL A 606 12.709 5.340 5.219 1.00 0.00 H new ATOM 0 HA VAL A 606 13.334 5.564 2.424 1.00 0.00 H new ATOM 0 HB VAL A 606 11.128 4.052 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 606 11.071 2.651 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.651 4.344 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 606 12.265 3.723 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 606 12.624 2.101 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 606 13.891 3.152 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 606 13.340 3.386 4.657 1.00 0.00 H new ATOM 1651 N SER A 607 11.443 6.946 1.495 1.00 0.00 N ATOM 1652 CA SER A 607 10.461 7.896 1.011 1.00 0.00 C ATOM 1653 C SER A 607 9.686 7.352 -0.178 1.00 0.00 C ATOM 1654 O SER A 607 10.214 7.286 -1.271 1.00 0.00 O ATOM 1655 CB SER A 607 11.146 9.215 0.642 1.00 0.00 C ATOM 1656 OG SER A 607 11.949 9.685 1.711 1.00 0.00 O ATOM 0 H SER A 607 12.143 6.673 0.805 1.00 0.00 H new ATOM 0 HA SER A 607 9.745 8.073 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 607 11.762 9.073 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 607 10.393 9.963 0.392 1.00 0.00 H new ATOM 0 HG SER A 607 12.378 10.527 1.452 1.00 0.00 H new ATOM 1662 N VAL A 608 8.435 6.971 0.040 1.00 0.00 N ATOM 1663 CA VAL A 608 7.597 6.463 -1.030 1.00 0.00 C ATOM 1664 C VAL A 608 6.487 7.458 -1.340 1.00 0.00 C ATOM 1665 O VAL A 608 5.947 8.087 -0.439 1.00 0.00 O ATOM 1666 CB VAL A 608 6.988 5.090 -0.688 1.00 0.00 C ATOM 1667 CG1 VAL A 608 6.017 5.196 0.476 1.00 0.00 C ATOM 1668 CG2 VAL A 608 6.301 4.501 -1.906 1.00 0.00 C ATOM 0 H VAL A 608 7.980 7.005 0.952 1.00 0.00 H new ATOM 0 HA VAL A 608 8.231 6.333 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 608 7.797 4.424 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.603 4.212 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.541 5.573 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 608 5.209 5.880 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.875 3.531 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 608 5.506 5.171 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 608 7.027 4.378 -2.709 1.00 0.00 H new ATOM 1678 N ASN A 609 6.195 7.629 -2.626 1.00 0.00 N ATOM 1679 CA ASN A 609 5.171 8.566 -3.092 1.00 0.00 C ATOM 1680 C ASN A 609 5.512 9.969 -2.616 1.00 0.00 C ATOM 1681 O ASN A 609 4.633 10.820 -2.464 1.00 0.00 O ATOM 1682 CB ASN A 609 3.770 8.176 -2.599 1.00 0.00 C ATOM 1683 CG ASN A 609 3.493 6.704 -2.649 1.00 0.00 C ATOM 1684 OD1 ASN A 609 3.788 5.978 -1.709 1.00 0.00 O ATOM 1685 ND2 ASN A 609 2.904 6.246 -3.717 1.00 0.00 N ATOM 0 H ASN A 609 6.661 7.122 -3.378 1.00 0.00 H new ATOM 0 HA ASN A 609 5.158 8.533 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.647 8.524 -1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 609 3.026 8.696 -3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 609 2.675 5.255 -3.788 1.00 0.00 H new ATOM 0 HD22 ASN A 609 2.672 6.879 -4.483 1.00 0.00 H new ATOM 1692 N LYS A 610 6.807 10.187 -2.388 1.00 0.00 N ATOM 1693 CA LYS A 610 7.332 11.463 -1.915 1.00 0.00 C ATOM 1694 C LYS A 610 6.911 11.725 -0.461 1.00 0.00 C ATOM 1695 O LYS A 610 6.886 12.870 -0.003 1.00 0.00 O ATOM 1696 CB LYS A 610 6.868 12.596 -2.842 1.00 0.00 C ATOM 1697 CG LYS A 610 7.687 13.872 -2.738 1.00 0.00 C ATOM 1698 CD LYS A 610 7.265 14.909 -3.779 1.00 0.00 C ATOM 1699 CE LYS A 610 7.694 14.528 -5.199 1.00 0.00 C ATOM 1700 NZ LYS A 610 6.940 13.361 -5.743 1.00 0.00 N1+ ATOM 0 H LYS A 610 7.525 9.476 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 610 8.421 11.424 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 610 6.901 12.242 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 610 5.827 12.828 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 610 7.575 14.294 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 610 8.743 13.637 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 610 6.182 15.027 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 610 7.698 15.875 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 610 7.551 15.385 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 610 8.759 14.298 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 7.560 12.526 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 6.117 13.167 -5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 6.617 13.575 -6.708 1.00 0.00 H new ATOM 1714 N GLU A 611 6.587 10.660 0.268 1.00 0.00 N ATOM 1715 CA GLU A 611 6.275 10.774 1.674 1.00 0.00 C ATOM 1716 C GLU A 611 7.064 9.735 2.469 1.00 0.00 C ATOM 1717 O GLU A 611 7.384 8.657 1.965 1.00 0.00 O ATOM 1718 CB GLU A 611 4.764 10.635 1.915 1.00 0.00 C ATOM 1719 CG GLU A 611 4.205 9.226 1.787 1.00 0.00 C ATOM 1720 CD GLU A 611 2.761 9.152 2.233 1.00 0.00 C ATOM 1721 OE1 GLU A 611 1.881 9.621 1.476 1.00 0.00 O ATOM 1722 OE2 GLU A 611 2.503 8.646 3.347 1.00 0.00 O1- ATOM 0 H GLU A 611 6.536 9.710 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 611 6.568 11.765 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 611 4.538 11.007 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 611 4.241 11.280 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 611 4.283 8.897 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 611 4.806 8.541 2.385 1.00 0.00 H new ATOM 1729 N PRO A 612 7.433 10.077 3.702 1.00 0.00 N ATOM 1730 CA PRO A 612 8.189 9.187 4.603 1.00 0.00 C ATOM 1731 C PRO A 612 7.461 7.879 4.937 1.00 0.00 C ATOM 1732 O PRO A 612 6.303 7.890 5.357 1.00 0.00 O ATOM 1733 CB PRO A 612 8.336 10.033 5.875 1.00 0.00 C ATOM 1734 CG PRO A 612 7.232 11.027 5.775 1.00 0.00 C ATOM 1735 CD PRO A 612 7.164 11.375 4.330 1.00 0.00 C ATOM 0 HA PRO A 612 9.126 8.870 4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 612 8.244 9.423 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 612 9.310 10.521 5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 612 6.289 10.608 6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 612 7.436 11.907 6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 612 6.188 11.772 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 612 7.905 12.125 4.054 1.00 0.00 H new ATOM 1743 N VAL A 613 8.153 6.758 4.757 1.00 0.00 N ATOM 1744 CA VAL A 613 7.642 5.464 5.187 1.00 0.00 C ATOM 1745 C VAL A 613 7.906 5.288 6.677 1.00 0.00 C ATOM 1746 O VAL A 613 8.945 5.713 7.187 1.00 0.00 O ATOM 1747 CB VAL A 613 8.296 4.282 4.425 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.692 2.952 4.844 1.00 0.00 C ATOM 1749 CG2 VAL A 613 8.165 4.455 2.924 1.00 0.00 C ATOM 0 H VAL A 613 9.071 6.722 4.315 1.00 0.00 H new ATOM 0 HA VAL A 613 6.574 5.452 4.971 1.00 0.00 H new ATOM 0 HB VAL A 613 9.354 4.281 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 613 8.172 2.144 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 613 7.847 2.803 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.623 2.954 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.633 3.611 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 613 7.110 4.500 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 613 8.658 5.379 2.620 1.00 0.00 H new ATOM 1759 N ALA A 614 6.972 4.664 7.367 1.00 0.00 N ATOM 1760 CA ALA A 614 7.116 4.436 8.790 1.00 0.00 C ATOM 1761 C ALA A 614 8.031 3.250 9.046 1.00 0.00 C ATOM 1762 O ALA A 614 9.088 3.391 9.659 1.00 0.00 O ATOM 1763 CB ALA A 614 5.759 4.217 9.436 1.00 0.00 C ATOM 0 H ALA A 614 6.106 4.306 6.965 1.00 0.00 H new ATOM 0 HA ALA A 614 7.567 5.321 9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 614 5.888 4.047 10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.136 5.098 9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.278 3.348 8.986 1.00 0.00 H new ATOM 1769 N GLU A 615 7.625 2.077 8.562 1.00 0.00 N ATOM 1770 CA GLU A 615 8.395 0.858 8.783 1.00 0.00 C ATOM 1771 C GLU A 615 8.423 -0.007 7.520 1.00 0.00 C ATOM 1772 O GLU A 615 7.435 -0.669 7.192 1.00 0.00 O ATOM 1773 CB GLU A 615 7.806 0.058 9.956 1.00 0.00 C ATOM 1774 CG GLU A 615 7.388 0.928 11.134 1.00 0.00 C ATOM 1775 CD GLU A 615 7.611 0.259 12.473 1.00 0.00 C ATOM 1776 OE1 GLU A 615 6.720 -0.487 12.926 1.00 0.00 O1- ATOM 1777 OE2 GLU A 615 8.676 0.496 13.076 1.00 0.00 O ATOM 0 H GLU A 615 6.772 1.947 8.018 1.00 0.00 H new ATOM 0 HA GLU A 615 9.418 1.144 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.941 -0.504 9.604 1.00 0.00 H new ATOM 0 HB3 GLU A 615 8.543 -0.670 10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.947 1.863 11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 615 6.333 1.184 11.033 1.00 0.00 H new ATOM 1784 N PRO A 616 9.534 0.038 6.757 1.00 0.00 N ATOM 1785 CA PRO A 616 9.735 -0.832 5.589 1.00 0.00 C ATOM 1786 C PRO A 616 10.014 -2.300 5.940 1.00 0.00 C ATOM 1787 O PRO A 616 10.346 -2.637 7.079 1.00 0.00 O ATOM 1788 CB PRO A 616 10.981 -0.230 4.928 1.00 0.00 C ATOM 1789 CG PRO A 616 11.727 0.374 6.058 1.00 0.00 C ATOM 1790 CD PRO A 616 10.665 0.981 6.924 1.00 0.00 C ATOM 0 HA PRO A 616 8.838 -0.861 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.572 -0.993 4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.715 0.517 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.302 -0.376 6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.434 1.127 5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 616 10.982 1.053 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.404 1.988 6.600 1.00 0.00 H new ATOM 1798 N ASP A 617 9.836 -3.156 4.930 1.00 0.00 N ATOM 1799 CA ASP A 617 10.346 -4.532 4.926 1.00 0.00 C ATOM 1800 C ASP A 617 9.553 -5.477 5.819 1.00 0.00 C ATOM 1801 O ASP A 617 10.127 -6.263 6.571 1.00 0.00 O ATOM 1802 CB ASP A 617 11.830 -4.576 5.293 1.00 0.00 C ATOM 1803 CG ASP A 617 12.659 -5.242 4.211 1.00 0.00 C ATOM 1804 OD1 ASP A 617 12.920 -4.586 3.179 1.00 0.00 O1- ATOM 1805 OD2 ASP A 617 13.047 -6.415 4.383 1.00 0.00 O ATOM 0 H ASP A 617 9.327 -2.911 4.081 1.00 0.00 H new ATOM 0 HA ASP A 617 10.220 -4.888 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.194 -3.562 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 617 11.956 -5.116 6.232 1.00 0.00 H new ATOM 1810 N ILE A 618 8.238 -5.405 5.731 1.00 0.00 N ATOM 1811 CA ILE A 618 7.387 -6.440 6.288 1.00 0.00 C ATOM 1812 C ILE A 618 7.029 -7.414 5.175 1.00 0.00 C ATOM 1813 O ILE A 618 6.029 -7.241 4.483 1.00 0.00 O ATOM 1814 CB ILE A 618 6.102 -5.857 6.895 1.00 0.00 C ATOM 1815 CG1 ILE A 618 6.449 -4.735 7.870 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.299 -6.947 7.596 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.244 -4.114 8.536 1.00 0.00 C ATOM 0 H ILE A 618 7.736 -4.641 5.279 1.00 0.00 H new ATOM 0 HA ILE A 618 7.927 -6.944 7.089 1.00 0.00 H new ATOM 0 HB ILE A 618 5.489 -5.447 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.116 -5.127 8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 618 6.998 -3.959 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.392 -6.515 8.020 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.031 -7.721 6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 618 5.899 -7.385 8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.569 -3.325 9.214 1.00 0.00 H new ATOM 0 HD12 ILE A 618 4.586 -3.691 7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 618 4.706 -4.877 9.098 1.00 0.00 H new ATOM 1829 N MET A 619 7.878 -8.405 4.967 1.00 0.00 N ATOM 1830 CA MET A 619 7.738 -9.279 3.814 1.00 0.00 C ATOM 1831 C MET A 619 6.622 -10.296 3.985 1.00 0.00 C ATOM 1832 O MET A 619 6.352 -10.777 5.087 1.00 0.00 O ATOM 1833 CB MET A 619 9.046 -10.008 3.512 1.00 0.00 C ATOM 1834 CG MET A 619 10.169 -9.091 3.062 1.00 0.00 C ATOM 1835 SD MET A 619 11.495 -9.988 2.232 1.00 0.00 S ATOM 1836 CE MET A 619 10.610 -10.693 0.838 1.00 0.00 C ATOM 0 H MET A 619 8.666 -8.624 5.576 1.00 0.00 H new ATOM 0 HA MET A 619 7.480 -8.633 2.975 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.365 -10.547 4.404 1.00 0.00 H new ATOM 0 HB3 MET A 619 8.865 -10.753 2.737 1.00 0.00 H new ATOM 0 HG2 MET A 619 9.769 -8.334 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.575 -8.566 3.927 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.305 -10.867 0.017 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.156 -11.638 1.136 1.00 0.00 H new ATOM 0 HE3 MET A 619 9.832 -10.002 0.514 1.00 0.00 H new ATOM 1846 N ALA A 620 5.986 -10.606 2.869 1.00 0.00 N ATOM 1847 CA ALA A 620 4.998 -11.661 2.794 1.00 0.00 C ATOM 1848 C ALA A 620 5.586 -12.795 1.970 1.00 0.00 C ATOM 1849 O ALA A 620 6.768 -12.764 1.633 1.00 0.00 O ATOM 1850 CB ALA A 620 3.714 -11.147 2.156 1.00 0.00 C ATOM 0 H ALA A 620 6.144 -10.126 1.983 1.00 0.00 H new ATOM 0 HA ALA A 620 4.749 -12.014 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 620 2.983 -11.954 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.313 -10.329 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.926 -10.789 1.148 1.00 0.00 H new ATOM 1856 N THR A 621 4.781 -13.788 1.635 1.00 0.00 N ATOM 1857 CA THR A 621 5.267 -14.870 0.799 1.00 0.00 C ATOM 1858 C THR A 621 5.213 -14.482 -0.681 1.00 0.00 C ATOM 1859 O THR A 621 5.837 -15.123 -1.522 1.00 0.00 O ATOM 1860 CB THR A 621 4.488 -16.187 1.036 1.00 0.00 C ATOM 1861 OG1 THR A 621 5.082 -17.261 0.293 1.00 0.00 O ATOM 1862 CG2 THR A 621 3.032 -16.045 0.634 1.00 0.00 C ATOM 0 H THR A 621 3.806 -13.868 1.923 1.00 0.00 H new ATOM 0 HA THR A 621 6.305 -15.046 1.081 1.00 0.00 H new ATOM 0 HB THR A 621 4.536 -16.410 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 621 5.504 -16.905 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 621 2.512 -16.986 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 621 2.567 -15.256 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 621 2.970 -15.791 -0.424 1.00 0.00 H new ATOM 1870 N ASN A 622 4.468 -13.427 -0.988 1.00 0.00 N ATOM 1871 CA ASN A 622 4.306 -12.983 -2.370 1.00 0.00 C ATOM 1872 C ASN A 622 4.835 -11.563 -2.580 1.00 0.00 C ATOM 1873 O ASN A 622 4.476 -10.897 -3.551 1.00 0.00 O ATOM 1874 CB ASN A 622 2.835 -13.060 -2.786 1.00 0.00 C ATOM 1875 CG ASN A 622 1.936 -12.144 -1.973 1.00 0.00 C ATOM 1876 OD1 ASN A 622 2.183 -11.882 -0.797 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.882 -11.655 -2.594 1.00 0.00 N ATOM 0 H ASN A 622 3.967 -12.863 -0.302 1.00 0.00 H new ATOM 0 HA ASN A 622 4.895 -13.653 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 622 2.748 -12.801 -3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 622 2.487 -14.088 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 622 0.239 -11.037 -2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.709 -11.894 -3.570 1.00 0.00 H new ATOM 1884 N GLY A 623 5.684 -11.090 -1.679 1.00 0.00 N ATOM 1885 CA GLY A 623 6.233 -9.762 -1.840 1.00 0.00 C ATOM 1886 C GLY A 623 6.588 -9.107 -0.526 1.00 0.00 C ATOM 1887 O GLY A 623 6.948 -9.784 0.436 1.00 0.00 O ATOM 0 H GLY A 623 5.998 -11.595 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 623 7.124 -9.817 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 623 5.512 -9.138 -2.368 1.00 0.00 H new ATOM 1891 N VAL A 624 6.468 -7.791 -0.481 1.00 0.00 N ATOM 1892 CA VAL A 624 6.868 -7.029 0.691 1.00 0.00 C ATOM 1893 C VAL A 624 5.865 -5.916 0.992 1.00 0.00 C ATOM 1894 O VAL A 624 5.251 -5.354 0.083 1.00 0.00 O ATOM 1895 CB VAL A 624 8.285 -6.427 0.503 1.00 0.00 C ATOM 1896 CG1 VAL A 624 8.314 -5.424 -0.649 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.781 -5.782 1.791 1.00 0.00 C ATOM 0 H VAL A 624 6.096 -7.226 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 624 6.889 -7.716 1.537 1.00 0.00 H new ATOM 0 HB VAL A 624 8.959 -7.246 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.321 -5.020 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 624 8.024 -5.923 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.617 -4.612 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.777 -5.368 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.099 -4.984 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 624 8.823 -6.532 2.581 1.00 0.00 H new ATOM 1907 N VAL A 625 5.687 -5.629 2.277 1.00 0.00 N ATOM 1908 CA VAL A 625 4.826 -4.545 2.720 1.00 0.00 C ATOM 1909 C VAL A 625 5.639 -3.466 3.421 1.00 0.00 C ATOM 1910 O VAL A 625 6.573 -3.758 4.172 1.00 0.00 O ATOM 1911 CB VAL A 625 3.719 -5.053 3.672 1.00 0.00 C ATOM 1912 CG1 VAL A 625 2.947 -3.895 4.292 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.776 -5.969 2.919 1.00 0.00 C ATOM 0 H VAL A 625 6.135 -6.141 3.037 1.00 0.00 H new ATOM 0 HA VAL A 625 4.354 -4.124 1.832 1.00 0.00 H new ATOM 0 HB VAL A 625 4.193 -5.608 4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.176 -4.286 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.631 -3.265 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.481 -3.305 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 625 1.998 -6.324 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.319 -5.422 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.332 -6.820 2.526 1.00 0.00 H new ATOM 1923 N HIS A 626 5.289 -2.219 3.154 1.00 0.00 N ATOM 1924 CA HIS A 626 5.918 -1.081 3.812 1.00 0.00 C ATOM 1925 C HIS A 626 4.841 -0.211 4.450 1.00 0.00 C ATOM 1926 O HIS A 626 3.885 0.184 3.783 1.00 0.00 O ATOM 1927 CB HIS A 626 6.741 -0.250 2.817 1.00 0.00 C ATOM 1928 CG HIS A 626 7.788 -1.033 2.074 1.00 0.00 C ATOM 1929 ND1 HIS A 626 9.113 -1.118 2.448 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.670 -1.785 0.952 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.743 -1.908 1.564 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.910 -2.334 0.636 1.00 0.00 N ATOM 0 H HIS A 626 4.566 -1.966 2.480 1.00 0.00 H new ATOM 0 HA HIS A 626 6.596 -1.454 4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 626 6.064 0.205 2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.227 0.564 3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.759 -1.934 0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.792 -2.161 1.608 1.00 0.00 H new ATOM 0 HE2 HIS A 626 9.129 -2.942 -0.153 1.00 0.00 H new ATOM 1940 N VAL A 627 4.994 0.074 5.736 1.00 0.00 N ATOM 1941 CA VAL A 627 3.979 0.807 6.491 1.00 0.00 C ATOM 1942 C VAL A 627 4.017 2.300 6.190 1.00 0.00 C ATOM 1943 O VAL A 627 5.028 2.963 6.424 1.00 0.00 O ATOM 1944 CB VAL A 627 4.167 0.602 8.008 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.132 1.387 8.797 1.00 0.00 C ATOM 1946 CG2 VAL A 627 4.087 -0.872 8.357 1.00 0.00 C ATOM 0 H VAL A 627 5.813 -0.191 6.283 1.00 0.00 H new ATOM 0 HA VAL A 627 3.012 0.410 6.181 1.00 0.00 H new ATOM 0 HB VAL A 627 5.155 0.974 8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.287 1.224 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.233 2.449 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.132 1.051 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.222 -0.999 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.112 -1.263 8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 627 4.869 -1.415 7.826 1.00 0.00 H new ATOM 1956 N ILE A 628 2.916 2.820 5.669 1.00 0.00 N ATOM 1957 CA ILE A 628 2.759 4.259 5.484 1.00 0.00 C ATOM 1958 C ILE A 628 1.641 4.786 6.359 1.00 0.00 C ATOM 1959 O ILE A 628 0.707 4.060 6.702 1.00 0.00 O ATOM 1960 CB ILE A 628 2.467 4.660 4.023 1.00 0.00 C ATOM 1961 CG1 ILE A 628 1.800 3.516 3.258 1.00 0.00 C ATOM 1962 CG2 ILE A 628 3.737 5.120 3.333 1.00 0.00 C ATOM 1963 CD1 ILE A 628 1.308 3.916 1.885 1.00 0.00 C ATOM 0 H ILE A 628 2.115 2.267 5.365 1.00 0.00 H new ATOM 0 HA ILE A 628 3.715 4.700 5.767 1.00 0.00 H new ATOM 0 HB ILE A 628 1.767 5.495 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.510 2.695 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 628 0.959 3.140 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.511 5.399 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.146 5.981 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.467 4.311 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 628 0.846 3.056 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.574 4.716 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 628 2.148 4.264 1.284 1.00 0.00 H new ATOM 1975 N THR A 629 1.739 6.050 6.717 1.00 0.00 N ATOM 1976 CA THR A 629 0.752 6.676 7.573 1.00 0.00 C ATOM 1977 C THR A 629 -0.228 7.517 6.764 1.00 0.00 C ATOM 1978 O THR A 629 -1.092 8.189 7.325 1.00 0.00 O ATOM 1979 CB THR A 629 1.438 7.552 8.634 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.412 8.400 8.004 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.118 6.694 9.689 1.00 0.00 C ATOM 0 H THR A 629 2.497 6.667 6.426 1.00 0.00 H new ATOM 0 HA THR A 629 0.194 5.882 8.070 1.00 0.00 H new ATOM 0 HB THR A 629 0.677 8.162 9.121 1.00 0.00 H new ATOM 0 HG1 THR A 629 2.847 8.959 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 629 2.596 7.337 10.428 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.376 6.065 10.181 1.00 0.00 H new ATOM 0 HG23 THR A 629 2.871 6.064 9.216 1.00 0.00 H new ATOM 1989 N ASN A 630 -0.090 7.488 5.441 1.00 0.00 N ATOM 1990 CA ASN A 630 -1.043 8.169 4.576 1.00 0.00 C ATOM 1991 C ASN A 630 -1.521 7.229 3.482 1.00 0.00 C ATOM 1992 O ASN A 630 -0.824 6.288 3.111 1.00 0.00 O ATOM 1993 CB ASN A 630 -0.438 9.425 3.935 1.00 0.00 C ATOM 1994 CG ASN A 630 0.136 10.399 4.949 1.00 0.00 C ATOM 1995 OD1 ASN A 630 -0.577 11.238 5.502 1.00 0.00 O ATOM 1996 ND2 ASN A 630 1.440 10.322 5.160 1.00 0.00 N ATOM 0 H ASN A 630 0.664 7.006 4.951 1.00 0.00 H new ATOM 0 HA ASN A 630 -1.884 8.476 5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 630 0.348 9.128 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -1.205 9.931 3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 630 1.892 10.973 5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 630 1.993 9.611 4.681 1.00 0.00 H new ATOM 2003 N VAL A 631 -2.728 7.462 2.994 1.00 0.00 N ATOM 2004 CA VAL A 631 -3.230 6.739 1.848 1.00 0.00 C ATOM 2005 C VAL A 631 -2.803 7.475 0.586 1.00 0.00 C ATOM 2006 O VAL A 631 -2.635 8.693 0.603 1.00 0.00 O ATOM 2007 CB VAL A 631 -4.762 6.598 1.892 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -5.257 5.754 0.736 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -5.207 5.991 3.211 1.00 0.00 C ATOM 0 H VAL A 631 -3.377 8.149 3.378 1.00 0.00 H new ATOM 0 HA VAL A 631 -2.815 5.731 1.856 1.00 0.00 H new ATOM 0 HB VAL A 631 -5.194 7.595 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -6.342 5.668 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -4.974 6.225 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -4.811 4.761 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -6.293 5.900 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -4.759 5.004 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -4.889 6.633 4.033 1.00 0.00 H new ATOM 2019 N LEU A 632 -2.646 6.744 -0.500 1.00 0.00 N ATOM 2020 CA LEU A 632 -2.017 7.286 -1.689 1.00 0.00 C ATOM 2021 C LEU A 632 -3.048 7.541 -2.774 1.00 0.00 C ATOM 2022 O LEU A 632 -3.632 6.609 -3.321 1.00 0.00 O ATOM 2023 CB LEU A 632 -0.949 6.316 -2.189 1.00 0.00 C ATOM 2024 CG LEU A 632 0.054 5.857 -1.125 1.00 0.00 C ATOM 2025 CD1 LEU A 632 0.960 4.761 -1.678 1.00 0.00 C ATOM 2026 CD2 LEU A 632 0.863 7.044 -0.615 1.00 0.00 C ATOM 0 H LEU A 632 -2.945 5.773 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 632 -1.549 8.238 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -1.443 5.438 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -0.401 6.790 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.495 5.437 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 632 1.665 4.449 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.354 3.908 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 632 1.509 5.143 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 632 1.572 6.704 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 632 1.406 7.497 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 632 0.191 7.781 -0.176 1.00 0.00 H new