USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=32 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 567 ASN :FLIP amide:sc= -0.145 X(o=-3.8,f=-3.7) USER MOD Set 1.2: A 593 GLN :FLIP amide:sc= -3.54! C(o=-6.1!,f=-3.7!) USER MOD Set 2.1: A 571 TYR OH : rot -12:sc= 0.0545 USER MOD Set 2.2: A 609 ASN :FLIP amide:sc= -8.23! C(o=-9!,f=-8.2!) USER MOD Set 3.1: A 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 504 THR OG1 : rot 162:sc= 0.00855 USER MOD Single : A 510 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.752) USER MOD Single : A 513 ASN :FLIP amide:sc= -0.0552 F(o=-1.7!,f=-0.055) USER MOD Single : A 516 SER OG : rot -98:sc= 0.561 USER MOD Single : A 517 MET CE :methyl -169:sc= -2.45! (180deg=-2.74!) USER MOD Single : A 523 GLN :FLIP amide:sc= -0.745 F(o=-1.8,f=-0.74) USER MOD Single : A 524 SER OG : rot 77:sc= 0.939 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 532 ASN :FLIP amide:sc= -0.727 F(o=-2.5!,f=-0.73) USER MOD Single : A 537 TYR OH : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 103:sc= 0.269! USER MOD Single : A 543 THR OG1 : rot 180:sc= 0 USER MOD Single : A 544 ASN :FLIP amide:sc= -0.0378 F(o=-1.3!,f=-0.038) USER MOD Single : A 556 SER OG : rot 69:sc= 0.729 USER MOD Single : A 563 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00622) USER MOD Single : A 570 LYS NZ :NH3+ 156:sc= -0.3 (180deg=-1.02) USER MOD Single : A 572 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.5) USER MOD Single : A 580 SER OG : rot 53:sc= -0.334 USER MOD Single : A 590 LYS NZ :NH3+ -166:sc= -0.0194 (180deg=-0.218) USER MOD Single : A 591 SER OG : rot 100:sc= -0.0238 USER MOD Single : A 596 LYS NZ :NH3+ 170:sc= 1.28 (180deg=0.872) USER MOD Single : A 600 SER OG : rot 37:sc= 1.27 USER MOD Single : A 602 LYS NZ :NH3+ 160:sc= -0.129 (180deg=-0.514) USER MOD Single : A 603 ASN : amide:sc= -2.07! C(o=-2.1!,f=-4.3!) USER MOD Single : A 604 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.4!) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 610 LYS NZ :NH3+ 169:sc= -0.0426 (180deg=-0.274) USER MOD Single : A 619 MET CE :methyl 154:sc= -0.321 (180deg=-1.24) USER MOD Single : A 621 THR OG1 : rot -41:sc= 0.172 USER MOD Single : A 622 ASN : amide:sc= -2.53! C(o=-2.5!,f=-17!) USER MOD Single : A 626 HIS : no HD1:sc= -0.882 K(o=-0.88,f=-6.7!) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0.00228 USER MOD Single : A 630 ASN : amide:sc= -1.32! C(o=-1.3!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 37 N GLY A 503 1.394 -15.538 5.899 1.00 0.00 N ATOM 38 CA GLY A 503 0.402 -15.476 4.858 1.00 0.00 C ATOM 39 C GLY A 503 0.881 -14.632 3.713 1.00 0.00 C ATOM 40 O GLY A 503 2.088 -14.463 3.512 1.00 0.00 O ATOM 0 HA2 GLY A 503 0.177 -16.482 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -0.525 -15.063 5.257 1.00 0.00 H new ATOM 44 N THR A 504 -0.054 -14.088 2.970 1.00 0.00 N ATOM 45 CA THR A 504 0.282 -13.161 1.920 1.00 0.00 C ATOM 46 C THR A 504 0.165 -11.747 2.457 1.00 0.00 C ATOM 47 O THR A 504 -0.035 -11.552 3.654 1.00 0.00 O ATOM 48 CB THR A 504 -0.638 -13.316 0.694 1.00 0.00 C ATOM 49 OG1 THR A 504 -1.999 -13.042 1.051 1.00 0.00 O ATOM 50 CG2 THR A 504 -0.544 -14.715 0.100 1.00 0.00 C ATOM 0 H THR A 504 -1.052 -14.272 3.074 1.00 0.00 H new ATOM 0 HA THR A 504 1.302 -13.372 1.597 1.00 0.00 H new ATOM 0 HB THR A 504 -0.305 -12.598 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 504 -2.520 -12.861 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 504 -1.206 -14.789 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 504 0.482 -14.910 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 504 -0.841 -15.449 0.849 1.00 0.00 H new ATOM 58 N VAL A 505 0.321 -10.770 1.583 1.00 0.00 N ATOM 59 CA VAL A 505 0.035 -9.383 1.924 1.00 0.00 C ATOM 60 C VAL A 505 -1.319 -9.275 2.624 1.00 0.00 C ATOM 61 O VAL A 505 -1.458 -8.558 3.606 1.00 0.00 O ATOM 62 CB VAL A 505 0.036 -8.480 0.672 1.00 0.00 C ATOM 63 CG1 VAL A 505 -0.358 -7.056 1.028 1.00 0.00 C ATOM 64 CG2 VAL A 505 1.398 -8.502 -0.005 1.00 0.00 C ATOM 0 H VAL A 505 0.646 -10.909 0.626 1.00 0.00 H new ATOM 0 HA VAL A 505 0.824 -9.044 2.596 1.00 0.00 H new ATOM 0 HB VAL A 505 -0.703 -8.873 -0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -0.349 -6.440 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -1.358 -7.053 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 505 0.351 -6.652 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 505 1.377 -7.859 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 505 2.156 -8.141 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 505 1.638 -9.522 -0.306 1.00 0.00 H new ATOM 74 N MET A 506 -2.304 -10.020 2.137 1.00 0.00 N ATOM 75 CA MET A 506 -3.631 -10.009 2.746 1.00 0.00 C ATOM 76 C MET A 506 -3.565 -10.497 4.197 1.00 0.00 C ATOM 77 O MET A 506 -4.199 -9.917 5.077 1.00 0.00 O ATOM 78 CB MET A 506 -4.611 -10.873 1.942 1.00 0.00 C ATOM 79 CG MET A 506 -5.719 -10.073 1.272 1.00 0.00 C ATOM 80 SD MET A 506 -6.622 -9.032 2.434 1.00 0.00 S ATOM 81 CE MET A 506 -7.659 -8.090 1.316 1.00 0.00 C ATOM 0 H MET A 506 -2.212 -10.635 1.329 1.00 0.00 H new ATOM 0 HA MET A 506 -3.993 -8.981 2.739 1.00 0.00 H new ATOM 0 HB2 MET A 506 -4.058 -11.421 1.179 1.00 0.00 H new ATOM 0 HB3 MET A 506 -5.059 -11.613 2.605 1.00 0.00 H new ATOM 0 HG2 MET A 506 -5.289 -9.449 0.489 1.00 0.00 H new ATOM 0 HG3 MET A 506 -6.415 -10.758 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 506 -8.278 -7.399 1.889 1.00 0.00 H new ATOM 0 HE2 MET A 506 -7.032 -7.527 0.625 1.00 0.00 H new ATOM 0 HE3 MET A 506 -8.299 -8.770 0.753 1.00 0.00 H new ATOM 91 N ASP A 507 -2.783 -11.550 4.448 1.00 0.00 N ATOM 92 CA ASP A 507 -2.620 -12.077 5.795 1.00 0.00 C ATOM 93 C ASP A 507 -1.851 -11.104 6.676 1.00 0.00 C ATOM 94 O ASP A 507 -2.083 -11.036 7.882 1.00 0.00 O ATOM 95 CB ASP A 507 -1.891 -13.411 5.754 1.00 0.00 C ATOM 96 CG ASP A 507 -2.755 -14.543 5.237 1.00 0.00 C ATOM 97 OD1 ASP A 507 -3.513 -15.145 6.034 1.00 0.00 O ATOM 98 OD2 ASP A 507 -2.679 -14.840 4.025 1.00 0.00 O1- ATOM 0 H ASP A 507 -2.255 -12.051 3.733 1.00 0.00 H new ATOM 0 HA ASP A 507 -3.614 -12.219 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -1.008 -13.317 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.540 -13.658 6.756 1.00 0.00 H new ATOM 103 N VAL A 508 -0.914 -10.378 6.076 1.00 0.00 N ATOM 104 CA VAL A 508 -0.191 -9.317 6.788 1.00 0.00 C ATOM 105 C VAL A 508 -1.161 -8.358 7.468 1.00 0.00 C ATOM 106 O VAL A 508 -1.152 -8.205 8.687 1.00 0.00 O ATOM 107 CB VAL A 508 0.743 -8.521 5.851 1.00 0.00 C ATOM 108 CG1 VAL A 508 1.402 -7.369 6.597 1.00 0.00 C ATOM 109 CG2 VAL A 508 1.800 -9.431 5.248 1.00 0.00 C ATOM 0 H VAL A 508 -0.634 -10.500 5.103 1.00 0.00 H new ATOM 0 HA VAL A 508 0.421 -9.810 7.543 1.00 0.00 H new ATOM 0 HB VAL A 508 0.139 -8.108 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 508 2.056 -6.822 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 508 0.634 -6.698 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 508 1.989 -7.762 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 508 2.448 -8.851 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 508 2.396 -9.875 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 508 1.316 -10.221 4.674 1.00 0.00 H new ATOM 119 N LEU A 509 -1.993 -7.726 6.664 1.00 0.00 N ATOM 120 CA LEU A 509 -3.012 -6.814 7.125 1.00 0.00 C ATOM 121 C LEU A 509 -3.985 -7.506 8.078 1.00 0.00 C ATOM 122 O LEU A 509 -4.479 -6.906 9.028 1.00 0.00 O ATOM 123 CB LEU A 509 -3.755 -6.296 5.898 1.00 0.00 C ATOM 124 CG LEU A 509 -2.965 -5.353 4.976 1.00 0.00 C ATOM 125 CD1 LEU A 509 -1.582 -5.870 4.610 1.00 0.00 C ATOM 126 CD2 LEU A 509 -3.760 -5.085 3.711 1.00 0.00 C ATOM 0 H LEU A 509 -1.976 -7.837 5.650 1.00 0.00 H new ATOM 0 HA LEU A 509 -2.552 -5.994 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -4.086 -7.152 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -4.651 -5.775 6.234 1.00 0.00 H new ATOM 0 HG LEU A 509 -2.813 -4.432 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -1.086 -5.151 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -0.992 -6.005 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -1.676 -6.825 4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -3.195 -4.416 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -3.945 -6.025 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -4.711 -4.621 3.971 1.00 0.00 H new ATOM 138 N LYS A 510 -4.250 -8.773 7.795 1.00 0.00 N ATOM 139 CA LYS A 510 -5.114 -9.609 8.618 1.00 0.00 C ATOM 140 C LYS A 510 -4.524 -9.811 10.020 1.00 0.00 C ATOM 141 O LYS A 510 -5.256 -9.968 11.000 1.00 0.00 O ATOM 142 CB LYS A 510 -5.318 -10.943 7.886 1.00 0.00 C ATOM 143 CG LYS A 510 -5.628 -12.140 8.767 1.00 0.00 C ATOM 144 CD LYS A 510 -5.560 -13.425 7.956 1.00 0.00 C ATOM 145 CE LYS A 510 -5.595 -14.661 8.833 1.00 0.00 C ATOM 146 NZ LYS A 510 -5.372 -15.891 8.027 1.00 0.00 N1+ ATOM 0 H LYS A 510 -3.868 -9.255 6.981 1.00 0.00 H new ATOM 0 HA LYS A 510 -6.078 -9.122 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -6.131 -10.822 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -4.418 -11.162 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -4.918 -12.185 9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -6.620 -12.030 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.395 -13.455 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -4.646 -13.429 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -4.831 -14.585 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -6.557 -14.724 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -5.082 -16.669 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.253 -16.150 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -4.625 -15.715 7.325 1.00 0.00 H new ATOM 160 N GLY A 511 -3.204 -9.789 10.113 1.00 0.00 N ATOM 161 CA GLY A 511 -2.545 -9.965 11.387 1.00 0.00 C ATOM 162 C GLY A 511 -2.148 -8.656 12.041 1.00 0.00 C ATOM 163 O GLY A 511 -1.992 -8.588 13.259 1.00 0.00 O ATOM 0 H GLY A 511 -2.574 -9.651 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 511 -3.207 -10.513 12.058 1.00 0.00 H new ATOM 0 HA3 GLY A 511 -1.655 -10.578 11.246 1.00 0.00 H new ATOM 167 N ASP A 512 -1.998 -7.623 11.235 1.00 0.00 N ATOM 168 CA ASP A 512 -1.569 -6.324 11.728 1.00 0.00 C ATOM 169 C ASP A 512 -2.775 -5.473 12.109 1.00 0.00 C ATOM 170 O ASP A 512 -3.736 -5.364 11.351 1.00 0.00 O ATOM 171 CB ASP A 512 -0.732 -5.599 10.676 1.00 0.00 C ATOM 172 CG ASP A 512 -0.112 -4.334 11.223 1.00 0.00 C ATOM 173 OD1 ASP A 512 -0.800 -3.300 11.237 1.00 0.00 O1- ATOM 174 OD2 ASP A 512 1.054 -4.384 11.664 1.00 0.00 O ATOM 0 H ASP A 512 -2.167 -7.657 10.230 1.00 0.00 H new ATOM 0 HA ASP A 512 -0.955 -6.483 12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 512 0.054 -6.263 10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 512 -1.359 -5.355 9.818 1.00 0.00 H new ATOM 179 N ASN A 513 -2.718 -4.873 13.288 1.00 0.00 N ATOM 180 CA ASN A 513 -3.844 -4.106 13.815 1.00 0.00 C ATOM 181 C ASN A 513 -3.982 -2.740 13.150 1.00 0.00 C ATOM 182 O ASN A 513 -5.048 -2.128 13.203 1.00 0.00 O ATOM 183 CB ASN A 513 -3.724 -3.943 15.330 1.00 0.00 C ATOM 184 CG ASN A 513 -3.917 -5.253 16.072 1.00 0.00 C ATOM 185 OD1 ASN A 513 -4.683 -6.158 15.483 1.00 0.00 O flip ATOM 186 ND2 ASN A 513 -3.385 -5.446 17.163 1.00 0.00 N flip ATOM 0 H ASN A 513 -1.904 -4.901 13.902 1.00 0.00 H new ATOM 0 HA ASN A 513 -4.746 -4.673 13.584 1.00 0.00 H new ATOM 0 HB2 ASN A 513 -2.743 -3.533 15.572 1.00 0.00 H new ATOM 0 HB3 ASN A 513 -4.465 -3.221 15.674 1.00 0.00 H new ATOM 0 HD21 ASN A 513 -2.802 -4.721 17.581 1.00 0.00 H new ATOM 0 HD22 ASN A 513 -3.527 -6.331 17.650 1.00 0.00 H new ATOM 193 N ARG A 514 -2.919 -2.265 12.516 1.00 0.00 N ATOM 194 CA ARG A 514 -2.950 -0.961 11.865 1.00 0.00 C ATOM 195 C ARG A 514 -3.659 -1.065 10.527 1.00 0.00 C ATOM 196 O ARG A 514 -4.279 -0.112 10.059 1.00 0.00 O ATOM 197 CB ARG A 514 -1.535 -0.425 11.643 1.00 0.00 C ATOM 198 CG ARG A 514 -0.731 -0.250 12.918 1.00 0.00 C ATOM 199 CD ARG A 514 -1.366 0.781 13.832 1.00 0.00 C ATOM 200 NE ARG A 514 -0.550 1.034 15.015 1.00 0.00 N ATOM 201 CZ ARG A 514 -0.511 2.198 15.660 1.00 0.00 C ATOM 202 NH1 ARG A 514 -1.192 3.241 15.208 1.00 0.00 N1+ ATOM 203 NH2 ARG A 514 0.236 2.325 16.747 1.00 0.00 N ATOM 0 H ARG A 514 -2.030 -2.758 12.438 1.00 0.00 H new ATOM 0 HA ARG A 514 -3.489 -0.273 12.517 1.00 0.00 H new ATOM 0 HB2 ARG A 514 -1.000 -1.105 10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 514 -1.598 0.535 11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 514 -0.658 -1.205 13.439 1.00 0.00 H new ATOM 0 HG3 ARG A 514 0.285 0.057 12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 514 -1.510 1.712 13.284 1.00 0.00 H new ATOM 0 HD3 ARG A 514 -2.353 0.436 14.139 1.00 0.00 H new ATOM 0 HE ARG A 514 0.027 0.271 15.370 1.00 0.00 H new ATOM 0 HH11 ARG A 514 -1.752 3.156 14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 514 -1.156 4.129 15.708 1.00 0.00 H new ATOM 0 HH21 ARG A 514 0.780 1.532 17.088 1.00 0.00 H new ATOM 0 HH22 ARG A 514 0.268 3.216 17.243 1.00 0.00 H new ATOM 217 N PHE A 515 -3.568 -2.238 9.922 1.00 0.00 N ATOM 218 CA PHE A 515 -4.138 -2.474 8.614 1.00 0.00 C ATOM 219 C PHE A 515 -5.457 -3.236 8.721 1.00 0.00 C ATOM 220 O PHE A 515 -5.936 -3.807 7.744 1.00 0.00 O ATOM 221 CB PHE A 515 -3.149 -3.274 7.774 1.00 0.00 C ATOM 222 CG PHE A 515 -1.781 -2.655 7.688 1.00 0.00 C ATOM 223 CD1 PHE A 515 -1.627 -1.281 7.566 1.00 0.00 C ATOM 224 CD2 PHE A 515 -0.649 -3.451 7.722 1.00 0.00 C ATOM 225 CE1 PHE A 515 -0.373 -0.720 7.481 1.00 0.00 C ATOM 226 CE2 PHE A 515 0.609 -2.891 7.637 1.00 0.00 C ATOM 227 CZ PHE A 515 0.746 -1.526 7.517 1.00 0.00 C ATOM 0 H PHE A 515 -3.098 -3.048 10.326 1.00 0.00 H new ATOM 0 HA PHE A 515 -4.338 -1.513 8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 515 -3.058 -4.276 8.194 1.00 0.00 H new ATOM 0 HB3 PHE A 515 -3.550 -3.386 6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 515 -2.500 -0.646 7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 515 -0.752 -4.522 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 515 -0.265 0.350 7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 515 1.485 -3.522 7.665 1.00 0.00 H new ATOM 0 HZ PHE A 515 1.730 -1.086 7.451 1.00 0.00 H new ATOM 237 N SER A 516 -6.049 -3.215 9.906 1.00 0.00 N ATOM 238 CA SER A 516 -7.260 -3.975 10.192 1.00 0.00 C ATOM 239 C SER A 516 -8.414 -3.615 9.257 1.00 0.00 C ATOM 240 O SER A 516 -8.958 -4.479 8.571 1.00 0.00 O ATOM 241 CB SER A 516 -7.658 -3.739 11.648 1.00 0.00 C ATOM 242 OG SER A 516 -7.690 -2.348 11.940 1.00 0.00 O ATOM 0 H SER A 516 -5.705 -2.671 10.697 1.00 0.00 H new ATOM 0 HA SER A 516 -7.046 -5.030 10.024 1.00 0.00 H new ATOM 0 HB2 SER A 516 -8.637 -4.178 11.839 1.00 0.00 H new ATOM 0 HB3 SER A 516 -6.950 -4.239 12.309 1.00 0.00 H new ATOM 0 HG SER A 516 -6.849 -2.084 12.368 1.00 0.00 H new ATOM 248 N MET A 517 -8.788 -2.347 9.224 1.00 0.00 N ATOM 249 CA MET A 517 -9.881 -1.914 8.366 1.00 0.00 C ATOM 250 C MET A 517 -9.427 -1.888 6.908 1.00 0.00 C ATOM 251 O MET A 517 -10.246 -1.934 5.989 1.00 0.00 O ATOM 252 CB MET A 517 -10.380 -0.534 8.782 1.00 0.00 C ATOM 253 CG MET A 517 -11.698 -0.151 8.134 1.00 0.00 C ATOM 254 SD MET A 517 -11.821 1.618 7.839 1.00 0.00 S ATOM 255 CE MET A 517 -10.448 1.823 6.710 1.00 0.00 C ATOM 0 H MET A 517 -8.357 -1.605 9.775 1.00 0.00 H new ATOM 0 HA MET A 517 -10.701 -2.624 8.471 1.00 0.00 H new ATOM 0 HB2 MET A 517 -10.495 -0.508 9.866 1.00 0.00 H new ATOM 0 HB3 MET A 517 -9.627 0.210 8.524 1.00 0.00 H new ATOM 0 HG2 MET A 517 -11.804 -0.683 7.189 1.00 0.00 H new ATOM 0 HG3 MET A 517 -12.521 -0.469 8.774 1.00 0.00 H new ATOM 0 HE1 MET A 517 -10.248 2.885 6.570 1.00 0.00 H new ATOM 0 HE2 MET A 517 -9.563 1.338 7.122 1.00 0.00 H new ATOM 0 HE3 MET A 517 -10.696 1.371 5.750 1.00 0.00 H new ATOM 265 N LEU A 518 -8.113 -1.824 6.712 1.00 0.00 N ATOM 266 CA LEU A 518 -7.519 -1.877 5.378 1.00 0.00 C ATOM 267 C LEU A 518 -7.928 -3.158 4.682 1.00 0.00 C ATOM 268 O LEU A 518 -8.265 -3.156 3.499 1.00 0.00 O ATOM 269 CB LEU A 518 -5.994 -1.810 5.486 1.00 0.00 C ATOM 270 CG LEU A 518 -5.221 -1.799 4.165 1.00 0.00 C ATOM 271 CD1 LEU A 518 -5.642 -0.627 3.303 1.00 0.00 C ATOM 272 CD2 LEU A 518 -3.725 -1.756 4.435 1.00 0.00 C ATOM 0 H LEU A 518 -7.433 -1.735 7.467 1.00 0.00 H new ATOM 0 HA LEU A 518 -7.874 -1.026 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -5.730 -0.912 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -5.655 -2.663 6.074 1.00 0.00 H new ATOM 0 HG LEU A 518 -5.452 -2.715 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -5.079 -0.641 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -6.707 -0.700 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -5.443 0.304 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -3.185 -1.749 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -3.483 -0.855 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -3.434 -2.634 5.012 1.00 0.00 H new ATOM 284 N VAL A 519 -7.909 -4.246 5.442 1.00 0.00 N ATOM 285 CA VAL A 519 -8.335 -5.552 4.931 1.00 0.00 C ATOM 286 C VAL A 519 -9.733 -5.453 4.328 1.00 0.00 C ATOM 287 O VAL A 519 -9.956 -5.799 3.170 1.00 0.00 O ATOM 288 CB VAL A 519 -8.382 -6.617 6.044 1.00 0.00 C ATOM 289 CG1 VAL A 519 -8.573 -8.012 5.466 1.00 0.00 C ATOM 290 CG2 VAL A 519 -7.140 -6.555 6.906 1.00 0.00 C ATOM 0 H VAL A 519 -7.604 -4.254 6.415 1.00 0.00 H new ATOM 0 HA VAL A 519 -7.604 -5.847 4.178 1.00 0.00 H new ATOM 0 HB VAL A 519 -9.243 -6.398 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 519 -8.602 -8.741 6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 519 -9.510 -8.050 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 519 -7.744 -8.245 4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 519 -7.198 -7.317 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 519 -6.259 -6.733 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 519 -7.066 -5.570 7.368 1.00 0.00 H new ATOM 300 N ALA A 520 -10.659 -4.956 5.136 1.00 0.00 N ATOM 301 CA ALA A 520 -12.065 -4.846 4.750 1.00 0.00 C ATOM 302 C ALA A 520 -12.264 -3.898 3.565 1.00 0.00 C ATOM 303 O ALA A 520 -13.179 -4.088 2.758 1.00 0.00 O ATOM 304 CB ALA A 520 -12.896 -4.387 5.938 1.00 0.00 C ATOM 0 H ALA A 520 -10.460 -4.617 6.077 1.00 0.00 H new ATOM 0 HA ALA A 520 -12.398 -5.834 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -13.942 -4.308 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -12.802 -5.110 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -12.540 -3.414 6.277 1.00 0.00 H new ATOM 310 N ALA A 521 -11.420 -2.878 3.458 1.00 0.00 N ATOM 311 CA ALA A 521 -11.493 -1.955 2.330 1.00 0.00 C ATOM 312 C ALA A 521 -11.066 -2.655 1.042 1.00 0.00 C ATOM 313 O ALA A 521 -11.825 -2.716 0.078 1.00 0.00 O ATOM 314 CB ALA A 521 -10.638 -0.718 2.584 1.00 0.00 C ATOM 0 H ALA A 521 -10.683 -2.670 4.132 1.00 0.00 H new ATOM 0 HA ALA A 521 -12.527 -1.630 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -10.709 -0.045 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -10.994 -0.207 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -9.599 -1.016 2.726 1.00 0.00 H new ATOM 320 N ILE A 522 -9.860 -3.213 1.045 1.00 0.00 N ATOM 321 CA ILE A 522 -9.342 -3.940 -0.113 1.00 0.00 C ATOM 322 C ILE A 522 -10.258 -5.110 -0.454 1.00 0.00 C ATOM 323 O ILE A 522 -10.405 -5.489 -1.619 1.00 0.00 O ATOM 324 CB ILE A 522 -7.913 -4.456 0.152 1.00 0.00 C ATOM 325 CG1 ILE A 522 -7.008 -3.296 0.565 1.00 0.00 C ATOM 326 CG2 ILE A 522 -7.351 -5.151 -1.081 1.00 0.00 C ATOM 327 CD1 ILE A 522 -5.670 -3.739 1.104 1.00 0.00 C ATOM 0 H ILE A 522 -9.220 -3.177 1.838 1.00 0.00 H new ATOM 0 HA ILE A 522 -9.309 -3.251 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 522 -7.953 -5.183 0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 522 -6.847 -2.647 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 522 -7.517 -2.700 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 522 -6.342 -5.506 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 522 -7.986 -5.997 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 522 -7.321 -4.448 -1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 522 -5.080 -2.864 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 522 -5.821 -4.364 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 522 -5.141 -4.309 0.341 1.00 0.00 H new ATOM 339 N GLN A 523 -10.866 -5.671 0.580 1.00 0.00 N ATOM 340 CA GLN A 523 -11.877 -6.692 0.434 1.00 0.00 C ATOM 341 C GLN A 523 -12.998 -6.192 -0.459 1.00 0.00 C ATOM 342 O GLN A 523 -13.262 -6.760 -1.514 1.00 0.00 O ATOM 343 CB GLN A 523 -12.438 -7.022 1.814 1.00 0.00 C ATOM 344 CG GLN A 523 -13.146 -8.357 1.902 1.00 0.00 C ATOM 345 CD GLN A 523 -14.547 -8.356 1.303 1.00 0.00 C ATOM 346 OE1 GLN A 523 -14.653 -8.569 -0.003 1.00 0.00 O flip ATOM 347 NE2 GLN A 523 -15.527 -8.123 2.007 1.00 0.00 N flip ATOM 0 H GLN A 523 -10.666 -5.424 1.549 1.00 0.00 H new ATOM 0 HA GLN A 523 -11.437 -7.581 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 523 -11.622 -7.010 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 523 -13.134 -6.236 2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 523 -12.545 -9.110 1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 523 -13.210 -8.655 2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 523 -15.410 -7.964 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 523 -16.458 -8.089 1.591 1.00 0.00 H new ATOM 356 N SER A 524 -13.641 -5.117 -0.021 1.00 0.00 N ATOM 357 CA SER A 524 -14.790 -4.554 -0.719 1.00 0.00 C ATOM 358 C SER A 524 -14.412 -4.083 -2.124 1.00 0.00 C ATOM 359 O SER A 524 -15.272 -3.914 -2.991 1.00 0.00 O ATOM 360 CB SER A 524 -15.370 -3.401 0.101 1.00 0.00 C ATOM 361 OG SER A 524 -15.671 -3.830 1.422 1.00 0.00 O ATOM 0 H SER A 524 -13.382 -4.612 0.826 1.00 0.00 H new ATOM 0 HA SER A 524 -15.545 -5.332 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 524 -14.658 -2.576 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 524 -16.273 -3.024 -0.379 1.00 0.00 H new ATOM 0 HG SER A 524 -14.843 -3.891 1.943 1.00 0.00 H new ATOM 367 N ALA A 525 -13.122 -3.882 -2.344 1.00 0.00 N ATOM 368 CA ALA A 525 -12.620 -3.495 -3.648 1.00 0.00 C ATOM 369 C ALA A 525 -12.383 -4.721 -4.526 1.00 0.00 C ATOM 370 O ALA A 525 -12.152 -4.594 -5.731 1.00 0.00 O ATOM 371 CB ALA A 525 -11.342 -2.687 -3.494 1.00 0.00 C ATOM 0 H ALA A 525 -12.401 -3.982 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 525 -13.369 -2.874 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -10.972 -2.400 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -11.547 -1.791 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 525 -10.590 -3.289 -2.985 1.00 0.00 H new ATOM 377 N GLY A 526 -12.443 -5.910 -3.923 1.00 0.00 N ATOM 378 CA GLY A 526 -12.275 -7.131 -4.685 1.00 0.00 C ATOM 379 C GLY A 526 -10.859 -7.347 -5.185 1.00 0.00 C ATOM 380 O GLY A 526 -10.663 -7.830 -6.298 1.00 0.00 O ATOM 0 H GLY A 526 -12.604 -6.045 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 526 -12.565 -7.979 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 526 -12.953 -7.113 -5.538 1.00 0.00 H new ATOM 384 N LEU A 527 -9.864 -6.991 -4.382 1.00 0.00 N ATOM 385 CA LEU A 527 -8.477 -7.278 -4.746 1.00 0.00 C ATOM 386 C LEU A 527 -7.917 -8.410 -3.907 1.00 0.00 C ATOM 387 O LEU A 527 -6.725 -8.714 -3.997 1.00 0.00 O ATOM 388 CB LEU A 527 -7.551 -6.070 -4.586 1.00 0.00 C ATOM 389 CG LEU A 527 -7.642 -4.983 -5.661 1.00 0.00 C ATOM 390 CD1 LEU A 527 -8.906 -4.161 -5.499 1.00 0.00 C ATOM 391 CD2 LEU A 527 -6.414 -4.086 -5.606 1.00 0.00 C ATOM 0 H LEU A 527 -9.984 -6.512 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 527 -8.507 -7.556 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -7.757 -5.610 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -6.523 -6.432 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 527 -7.680 -5.470 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -8.945 -3.397 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -9.776 -4.811 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -8.906 -3.683 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -6.490 -3.317 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -6.352 -3.614 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -5.519 -4.684 -5.778 1.00 0.00 H new ATOM 403 N THR A 528 -8.759 -9.031 -3.084 1.00 0.00 N ATOM 404 CA THR A 528 -8.309 -10.125 -2.245 1.00 0.00 C ATOM 405 C THR A 528 -7.623 -11.194 -3.079 1.00 0.00 C ATOM 406 O THR A 528 -6.501 -11.590 -2.786 1.00 0.00 O ATOM 407 CB THR A 528 -9.472 -10.761 -1.475 1.00 0.00 C ATOM 408 OG1 THR A 528 -10.201 -9.737 -0.787 1.00 0.00 O ATOM 409 CG2 THR A 528 -8.954 -11.799 -0.484 1.00 0.00 C ATOM 0 H THR A 528 -9.746 -8.794 -2.985 1.00 0.00 H new ATOM 0 HA THR A 528 -7.601 -9.708 -1.529 1.00 0.00 H new ATOM 0 HB THR A 528 -10.134 -11.265 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 528 -10.946 -10.140 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 528 -9.794 -12.240 0.053 1.00 0.00 H new ATOM 0 HG22 THR A 528 -8.417 -12.580 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 528 -8.280 -11.320 0.226 1.00 0.00 H new ATOM 417 N GLU A 529 -8.281 -11.612 -4.152 1.00 0.00 N ATOM 418 CA GLU A 529 -7.755 -12.670 -5.000 1.00 0.00 C ATOM 419 C GLU A 529 -6.475 -12.237 -5.707 1.00 0.00 C ATOM 420 O GLU A 529 -5.699 -13.079 -6.139 1.00 0.00 O ATOM 421 CB GLU A 529 -8.806 -13.120 -6.016 1.00 0.00 C ATOM 422 CG GLU A 529 -10.089 -13.617 -5.372 1.00 0.00 C ATOM 423 CD GLU A 529 -10.951 -14.411 -6.332 1.00 0.00 C ATOM 424 OE1 GLU A 529 -11.792 -13.802 -7.025 1.00 0.00 O ATOM 425 OE2 GLU A 529 -10.792 -15.650 -6.391 1.00 0.00 O1- ATOM 0 H GLU A 529 -9.179 -11.234 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 529 -7.508 -13.515 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 529 -9.039 -12.288 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 529 -8.387 -13.913 -6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 529 -9.842 -14.239 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 529 -10.657 -12.765 -4.998 1.00 0.00 H new ATOM 432 N THR A 530 -6.228 -10.931 -5.798 1.00 0.00 N ATOM 433 CA THR A 530 -5.001 -10.449 -6.415 1.00 0.00 C ATOM 434 C THR A 530 -3.818 -10.684 -5.471 1.00 0.00 C ATOM 435 O THR A 530 -2.708 -10.993 -5.907 1.00 0.00 O ATOM 436 CB THR A 530 -5.106 -8.951 -6.776 1.00 0.00 C ATOM 437 OG1 THR A 530 -6.275 -8.734 -7.579 1.00 0.00 O ATOM 438 CG2 THR A 530 -3.881 -8.473 -7.543 1.00 0.00 C ATOM 0 H THR A 530 -6.853 -10.200 -5.457 1.00 0.00 H new ATOM 0 HA THR A 530 -4.842 -11.005 -7.339 1.00 0.00 H new ATOM 0 HB THR A 530 -5.171 -8.386 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 530 -6.343 -7.783 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 530 -3.990 -7.415 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 530 -2.990 -8.618 -6.932 1.00 0.00 H new ATOM 0 HG23 THR A 530 -3.785 -9.044 -8.467 1.00 0.00 H new ATOM 446 N LEU A 531 -4.080 -10.568 -4.170 1.00 0.00 N ATOM 447 CA LEU A 531 -3.054 -10.788 -3.153 1.00 0.00 C ATOM 448 C LEU A 531 -3.076 -12.235 -2.671 1.00 0.00 C ATOM 449 O LEU A 531 -2.119 -12.716 -2.074 1.00 0.00 O ATOM 450 CB LEU A 531 -3.261 -9.837 -1.966 1.00 0.00 C ATOM 451 CG LEU A 531 -3.187 -8.350 -2.311 1.00 0.00 C ATOM 452 CD1 LEU A 531 -3.524 -7.509 -1.090 1.00 0.00 C ATOM 453 CD2 LEU A 531 -1.803 -7.994 -2.838 1.00 0.00 C ATOM 0 H LEU A 531 -4.996 -10.322 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 531 -2.082 -10.584 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 531 -4.234 -10.043 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 531 -2.509 -10.057 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 531 -3.917 -8.137 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 531 -3.468 -6.452 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 531 -4.533 -7.746 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 531 -2.814 -7.725 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 531 -1.768 -6.932 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 531 -1.055 -8.219 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 531 -1.594 -8.577 -3.735 1.00 0.00 H new ATOM 465 N ASN A 532 -4.179 -12.920 -2.927 1.00 0.00 N ATOM 466 CA ASN A 532 -4.331 -14.324 -2.567 1.00 0.00 C ATOM 467 C ASN A 532 -3.736 -15.234 -3.637 1.00 0.00 C ATOM 468 O ASN A 532 -4.024 -16.429 -3.682 1.00 0.00 O ATOM 469 CB ASN A 532 -5.816 -14.643 -2.349 1.00 0.00 C ATOM 470 CG ASN A 532 -6.321 -14.174 -1.001 1.00 0.00 C ATOM 471 OD1 ASN A 532 -5.729 -13.112 -0.482 1.00 0.00 O flip ATOM 472 ND2 ASN A 532 -7.238 -14.758 -0.435 1.00 0.00 N flip ATOM 0 H ASN A 532 -4.995 -12.520 -3.390 1.00 0.00 H new ATOM 0 HA ASN A 532 -3.787 -14.507 -1.640 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -6.404 -14.172 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -5.969 -15.719 -2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -7.668 -15.574 -0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -7.571 -14.428 0.471 1.00 0.00 H new ATOM 479 N ARG A 533 -2.891 -14.661 -4.483 1.00 0.00 N ATOM 480 CA ARG A 533 -2.187 -15.424 -5.508 1.00 0.00 C ATOM 481 C ARG A 533 -0.698 -15.487 -5.191 1.00 0.00 C ATOM 482 O ARG A 533 -0.222 -14.823 -4.269 1.00 0.00 O ATOM 483 CB ARG A 533 -2.370 -14.798 -6.896 1.00 0.00 C ATOM 484 CG ARG A 533 -3.777 -14.903 -7.460 1.00 0.00 C ATOM 485 CD ARG A 533 -4.229 -16.347 -7.608 1.00 0.00 C ATOM 486 NE ARG A 533 -5.512 -16.446 -8.304 1.00 0.00 N ATOM 487 CZ ARG A 533 -6.522 -17.227 -7.923 1.00 0.00 C ATOM 488 NH1 ARG A 533 -6.401 -18.005 -6.852 1.00 0.00 N1+ ATOM 489 NH2 ARG A 533 -7.648 -17.239 -8.625 1.00 0.00 N ATOM 0 H ARG A 533 -2.675 -13.664 -4.480 1.00 0.00 H new ATOM 0 HA ARG A 533 -2.611 -16.428 -5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -2.092 -13.745 -6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -1.679 -15.277 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -4.469 -14.372 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -3.815 -14.411 -8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -3.474 -16.910 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -4.314 -16.804 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 533 -5.643 -15.877 -9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -5.532 -18.006 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -7.177 -18.601 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -7.739 -16.651 -9.454 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -8.423 -17.836 -8.336 1.00 0.00 H new ATOM 503 N GLU A 534 0.030 -16.284 -5.958 1.00 0.00 N ATOM 504 CA GLU A 534 1.478 -16.351 -5.844 1.00 0.00 C ATOM 505 C GLU A 534 2.114 -15.401 -6.846 1.00 0.00 C ATOM 506 O GLU A 534 1.580 -15.200 -7.938 1.00 0.00 O ATOM 507 CB GLU A 534 1.977 -17.776 -6.093 1.00 0.00 C ATOM 508 CG GLU A 534 1.548 -18.771 -5.025 1.00 0.00 C ATOM 509 CD GLU A 534 2.048 -20.174 -5.300 1.00 0.00 C ATOM 510 OE1 GLU A 534 3.234 -20.451 -5.026 1.00 0.00 O ATOM 511 OE2 GLU A 534 1.254 -21.008 -5.781 1.00 0.00 O1- ATOM 0 H GLU A 534 -0.363 -16.898 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 534 1.760 -16.059 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 534 1.610 -18.116 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 534 3.065 -17.765 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 534 1.920 -18.440 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 534 0.460 -18.783 -4.961 1.00 0.00 H new ATOM 518 N GLY A 535 3.241 -14.818 -6.477 1.00 0.00 N ATOM 519 CA GLY A 535 3.915 -13.897 -7.361 1.00 0.00 C ATOM 520 C GLY A 535 4.756 -12.903 -6.602 1.00 0.00 C ATOM 521 O GLY A 535 5.308 -13.224 -5.550 1.00 0.00 O ATOM 0 H GLY A 535 3.701 -14.967 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.547 -14.454 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 535 3.177 -13.365 -7.962 1.00 0.00 H new ATOM 525 N VAL A 536 4.854 -11.698 -7.137 1.00 0.00 N ATOM 526 CA VAL A 536 5.629 -10.642 -6.511 1.00 0.00 C ATOM 527 C VAL A 536 4.811 -9.359 -6.450 1.00 0.00 C ATOM 528 O VAL A 536 4.252 -8.923 -7.452 1.00 0.00 O ATOM 529 CB VAL A 536 6.952 -10.391 -7.281 1.00 0.00 C ATOM 530 CG1 VAL A 536 7.932 -11.534 -7.059 1.00 0.00 C ATOM 531 CG2 VAL A 536 6.688 -10.221 -8.773 1.00 0.00 C ATOM 0 H VAL A 536 4.402 -11.426 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 536 5.878 -10.958 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 536 7.391 -9.471 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 536 8.852 -11.336 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 536 8.156 -11.620 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 536 7.491 -12.466 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 536 7.631 -10.046 -9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 536 6.220 -11.124 -9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 536 6.024 -9.371 -8.930 1.00 0.00 H new ATOM 541 N TYR A 537 4.725 -8.769 -5.264 1.00 0.00 N ATOM 542 CA TYR A 537 3.993 -7.522 -5.074 1.00 0.00 C ATOM 543 C TYR A 537 4.628 -6.680 -3.980 1.00 0.00 C ATOM 544 O TYR A 537 4.943 -7.183 -2.904 1.00 0.00 O ATOM 545 CB TYR A 537 2.526 -7.784 -4.705 1.00 0.00 C ATOM 546 CG TYR A 537 1.686 -8.320 -5.839 1.00 0.00 C ATOM 547 CD1 TYR A 537 1.402 -7.530 -6.946 1.00 0.00 C ATOM 548 CD2 TYR A 537 1.179 -9.611 -5.806 1.00 0.00 C ATOM 549 CE1 TYR A 537 0.636 -8.010 -7.988 1.00 0.00 C ATOM 550 CE2 TYR A 537 0.412 -10.101 -6.845 1.00 0.00 C ATOM 551 CZ TYR A 537 0.143 -9.296 -7.934 1.00 0.00 C ATOM 552 OH TYR A 537 -0.616 -9.777 -8.976 1.00 0.00 O ATOM 0 H TYR A 537 5.155 -9.136 -4.415 1.00 0.00 H new ATOM 0 HA TYR A 537 4.034 -6.984 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 537 2.493 -8.493 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 537 2.082 -6.855 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 537 1.788 -6.522 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 537 1.387 -10.242 -4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 537 0.424 -7.382 -8.841 1.00 0.00 H new ATOM 0 HE2 TYR A 537 0.025 -11.108 -6.806 1.00 0.00 H new ATOM 0 HH TYR A 537 -0.886 -10.700 -8.785 1.00 0.00 H new ATOM 562 N THR A 538 4.827 -5.406 -4.266 1.00 0.00 N ATOM 563 CA THR A 538 5.270 -4.456 -3.254 1.00 0.00 C ATOM 564 C THR A 538 4.102 -3.583 -2.832 1.00 0.00 C ATOM 565 O THR A 538 3.674 -2.706 -3.577 1.00 0.00 O ATOM 566 CB THR A 538 6.414 -3.568 -3.773 1.00 0.00 C ATOM 567 OG1 THR A 538 7.538 -4.381 -4.099 1.00 0.00 O ATOM 568 CG2 THR A 538 6.824 -2.522 -2.744 1.00 0.00 C ATOM 0 H THR A 538 4.689 -5.002 -5.192 1.00 0.00 H new ATOM 0 HA THR A 538 5.643 -5.022 -2.401 1.00 0.00 H new ATOM 0 HB THR A 538 6.058 -3.046 -4.661 1.00 0.00 H new ATOM 0 HG1 THR A 538 7.590 -4.492 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 538 7.634 -1.914 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 538 5.971 -1.884 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 538 7.161 -3.019 -1.834 1.00 0.00 H new ATOM 576 N VAL A 539 3.571 -3.842 -1.653 1.00 0.00 N ATOM 577 CA VAL A 539 2.382 -3.162 -1.202 1.00 0.00 C ATOM 578 C VAL A 539 2.709 -2.109 -0.157 1.00 0.00 C ATOM 579 O VAL A 539 3.145 -2.430 0.949 1.00 0.00 O ATOM 580 CB VAL A 539 1.377 -4.172 -0.623 1.00 0.00 C ATOM 581 CG1 VAL A 539 0.122 -3.471 -0.145 1.00 0.00 C ATOM 582 CG2 VAL A 539 1.047 -5.230 -1.661 1.00 0.00 C ATOM 0 H VAL A 539 3.948 -4.521 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 539 1.939 -2.663 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 539 1.831 -4.661 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 539 -0.573 -4.206 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 539 0.381 -2.750 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 539 -0.346 -2.952 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 539 0.335 -5.941 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 539 0.611 -4.754 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 539 1.958 -5.755 -1.947 1.00 0.00 H new ATOM 592 N PHE A 540 2.520 -0.851 -0.516 1.00 0.00 N ATOM 593 CA PHE A 540 2.634 0.217 0.445 1.00 0.00 C ATOM 594 C PHE A 540 1.300 0.392 1.149 1.00 0.00 C ATOM 595 O PHE A 540 0.323 0.850 0.560 1.00 0.00 O ATOM 596 CB PHE A 540 3.092 1.497 -0.242 1.00 0.00 C ATOM 597 CG PHE A 540 4.545 1.451 -0.616 1.00 0.00 C ATOM 598 CD1 PHE A 540 5.512 1.733 0.328 1.00 0.00 C ATOM 599 CD2 PHE A 540 4.941 1.124 -1.902 1.00 0.00 C ATOM 600 CE1 PHE A 540 6.855 1.694 -0.001 1.00 0.00 C ATOM 601 CE2 PHE A 540 6.281 1.083 -2.238 1.00 0.00 C ATOM 602 CZ PHE A 540 7.240 1.369 -1.285 1.00 0.00 C ATOM 0 H PHE A 540 2.288 -0.551 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 540 3.386 -0.029 1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 540 2.493 1.661 -1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 540 2.915 2.345 0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 540 5.216 1.987 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 540 4.195 0.899 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 540 7.601 1.918 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 540 6.578 0.828 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 540 8.288 1.338 -1.545 1.00 0.00 H new ATOM 612 N ALA A 541 1.266 0.004 2.413 1.00 0.00 N ATOM 613 CA ALA A 541 0.009 -0.129 3.141 1.00 0.00 C ATOM 614 C ALA A 541 -0.209 1.015 4.118 1.00 0.00 C ATOM 615 O ALA A 541 0.619 1.262 4.999 1.00 0.00 O ATOM 616 CB ALA A 541 -0.031 -1.464 3.869 1.00 0.00 C ATOM 0 H ALA A 541 2.096 -0.226 2.960 1.00 0.00 H new ATOM 0 HA ALA A 541 -0.801 -0.089 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -0.973 -1.555 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 541 0.052 -2.275 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 541 0.799 -1.519 4.573 1.00 0.00 H new ATOM 622 N PRO A 542 -1.329 1.736 3.962 1.00 0.00 N ATOM 623 CA PRO A 542 -1.700 2.835 4.857 1.00 0.00 C ATOM 624 C PRO A 542 -2.261 2.339 6.192 1.00 0.00 C ATOM 625 O PRO A 542 -3.036 1.383 6.236 1.00 0.00 O ATOM 626 CB PRO A 542 -2.776 3.575 4.063 1.00 0.00 C ATOM 627 CG PRO A 542 -3.407 2.525 3.217 1.00 0.00 C ATOM 628 CD PRO A 542 -2.316 1.545 2.881 1.00 0.00 C ATOM 0 HA PRO A 542 -0.844 3.453 5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 542 -3.505 4.043 4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 542 -2.344 4.368 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 542 -4.221 2.034 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 542 -3.833 2.958 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 542 -2.690 0.522 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 542 -1.882 1.749 1.902 1.00 0.00 H new ATOM 636 N THR A 543 -1.864 2.995 7.273 1.00 0.00 N ATOM 637 CA THR A 543 -2.322 2.626 8.605 1.00 0.00 C ATOM 638 C THR A 543 -3.690 3.227 8.926 1.00 0.00 C ATOM 639 O THR A 543 -4.307 3.891 8.087 1.00 0.00 O ATOM 640 CB THR A 543 -1.313 3.087 9.670 1.00 0.00 C ATOM 641 OG1 THR A 543 -1.146 4.509 9.611 1.00 0.00 O ATOM 642 CG2 THR A 543 0.026 2.414 9.452 1.00 0.00 C ATOM 0 H THR A 543 -1.223 3.788 7.253 1.00 0.00 H new ATOM 0 HA THR A 543 -2.409 1.540 8.619 1.00 0.00 H new ATOM 0 HB THR A 543 -1.698 2.810 10.651 1.00 0.00 H new ATOM 0 HG1 THR A 543 -0.503 4.791 10.294 1.00 0.00 H new ATOM 0 HG21 THR A 543 0.730 2.750 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 543 -0.095 1.333 9.521 1.00 0.00 H new ATOM 0 HG23 THR A 543 0.408 2.674 8.465 1.00 0.00 H new ATOM 650 N ASN A 544 -4.152 2.996 10.155 1.00 0.00 N ATOM 651 CA ASN A 544 -5.428 3.536 10.618 1.00 0.00 C ATOM 652 C ASN A 544 -5.402 5.057 10.610 1.00 0.00 C ATOM 653 O ASN A 544 -6.384 5.702 10.252 1.00 0.00 O ATOM 654 CB ASN A 544 -5.755 3.034 12.027 1.00 0.00 C ATOM 655 CG ASN A 544 -6.168 1.574 12.062 1.00 0.00 C ATOM 656 OD1 ASN A 544 -6.848 1.115 11.019 1.00 0.00 O flip ATOM 657 ND2 ASN A 544 -5.892 0.866 13.027 1.00 0.00 N flip ATOM 0 H ASN A 544 -3.658 2.436 10.850 1.00 0.00 H new ATOM 0 HA ASN A 544 -6.203 3.190 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -4.883 3.174 12.667 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -6.558 3.642 12.445 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.367 1.254 13.811 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -6.187 -0.110 13.044 1.00 0.00 H new ATOM 664 N GLU A 545 -4.271 5.625 11.009 1.00 0.00 N ATOM 665 CA GLU A 545 -4.099 7.069 11.014 1.00 0.00 C ATOM 666 C GLU A 545 -4.116 7.622 9.593 1.00 0.00 C ATOM 667 O GLU A 545 -4.383 8.804 9.385 1.00 0.00 O ATOM 668 CB GLU A 545 -2.792 7.465 11.703 1.00 0.00 C ATOM 669 CG GLU A 545 -2.670 6.975 13.140 1.00 0.00 C ATOM 670 CD GLU A 545 -2.101 5.572 13.246 1.00 0.00 C ATOM 671 OE1 GLU A 545 -2.841 4.592 13.020 1.00 0.00 O1- ATOM 672 OE2 GLU A 545 -0.906 5.447 13.565 1.00 0.00 O ATOM 0 H GLU A 545 -3.457 5.104 11.334 1.00 0.00 H new ATOM 0 HA GLU A 545 -4.933 7.496 11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 545 -1.956 7.072 11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 545 -2.704 8.551 11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 545 -2.034 7.662 13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 545 -3.653 6.998 13.610 1.00 0.00 H new ATOM 679 N ALA A 546 -3.837 6.769 8.619 1.00 0.00 N ATOM 680 CA ALA A 546 -3.874 7.178 7.227 1.00 0.00 C ATOM 681 C ALA A 546 -5.289 7.272 6.728 1.00 0.00 C ATOM 682 O ALA A 546 -5.620 8.169 5.957 1.00 0.00 O ATOM 683 CB ALA A 546 -3.059 6.238 6.363 1.00 0.00 C ATOM 0 H ALA A 546 -3.583 5.792 8.768 1.00 0.00 H new ATOM 0 HA ALA A 546 -3.428 8.170 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -3.104 6.567 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.022 6.240 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -3.464 5.229 6.441 1.00 0.00 H new ATOM 689 N PHE A 547 -6.132 6.372 7.191 1.00 0.00 N ATOM 690 CA PHE A 547 -7.551 6.482 6.933 1.00 0.00 C ATOM 691 C PHE A 547 -8.076 7.731 7.636 1.00 0.00 C ATOM 692 O PHE A 547 -9.207 8.147 7.422 1.00 0.00 O ATOM 693 CB PHE A 547 -8.306 5.217 7.375 1.00 0.00 C ATOM 694 CG PHE A 547 -7.631 3.953 6.936 1.00 0.00 C ATOM 695 CD1 PHE A 547 -7.213 3.802 5.624 1.00 0.00 C ATOM 696 CD2 PHE A 547 -7.408 2.921 7.831 1.00 0.00 C ATOM 697 CE1 PHE A 547 -6.585 2.647 5.213 1.00 0.00 C ATOM 698 CE2 PHE A 547 -6.777 1.761 7.426 1.00 0.00 C ATOM 699 CZ PHE A 547 -6.367 1.623 6.115 1.00 0.00 C ATOM 0 H PHE A 547 -5.860 5.560 7.745 1.00 0.00 H new ATOM 0 HA PHE A 547 -7.720 6.575 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -8.398 5.216 8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 547 -9.317 5.243 6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -7.381 4.599 4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 547 -7.731 3.024 8.857 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -6.263 2.542 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -6.605 0.963 8.134 1.00 0.00 H new ATOM 0 HZ PHE A 547 -5.876 0.716 5.795 1.00 0.00 H new ATOM 709 N ARG A 548 -7.256 8.294 8.529 1.00 0.00 N ATOM 710 CA ARG A 548 -7.658 9.484 9.277 1.00 0.00 C ATOM 711 C ARG A 548 -7.154 10.760 8.591 1.00 0.00 C ATOM 712 O ARG A 548 -7.839 11.780 8.575 1.00 0.00 O ATOM 713 CB ARG A 548 -7.159 9.414 10.721 1.00 0.00 C ATOM 714 CG ARG A 548 -7.898 10.350 11.664 1.00 0.00 C ATOM 715 CD ARG A 548 -7.476 10.132 13.110 1.00 0.00 C ATOM 716 NE ARG A 548 -8.381 10.789 14.051 1.00 0.00 N ATOM 717 CZ ARG A 548 -8.122 10.963 15.348 1.00 0.00 C ATOM 718 NH1 ARG A 548 -6.982 10.522 15.871 1.00 0.00 N1+ ATOM 719 NH2 ARG A 548 -9.026 11.560 16.119 1.00 0.00 N ATOM 0 H ARG A 548 -6.322 7.948 8.748 1.00 0.00 H new ATOM 0 HA ARG A 548 -8.747 9.517 9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 548 -7.261 8.391 11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 548 -6.096 9.655 10.742 1.00 0.00 H new ATOM 0 HG2 ARG A 548 -7.703 11.384 11.379 1.00 0.00 H new ATOM 0 HG3 ARG A 548 -8.972 10.190 11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 548 -7.447 9.063 13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 548 -6.465 10.513 13.254 1.00 0.00 H new ATOM 0 HE ARG A 548 -9.270 11.138 13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 548 -6.300 10.048 15.280 1.00 0.00 H new ATOM 0 HH12 ARG A 548 -6.790 10.658 16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 548 -9.907 11.880 15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 548 -8.838 11.698 17.112 1.00 0.00 H new ATOM 733 N ALA A 549 -5.956 10.683 8.013 1.00 0.00 N ATOM 734 CA ALA A 549 -5.288 11.849 7.426 1.00 0.00 C ATOM 735 C ALA A 549 -5.626 12.008 5.944 1.00 0.00 C ATOM 736 O ALA A 549 -5.016 12.806 5.235 1.00 0.00 O ATOM 737 CB ALA A 549 -3.784 11.718 7.609 1.00 0.00 C ATOM 0 H ALA A 549 -5.422 9.817 7.937 1.00 0.00 H new ATOM 0 HA ALA A 549 -5.646 12.740 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 549 -3.288 12.585 7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 549 -3.550 11.663 8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 549 -3.435 10.812 7.113 1.00 0.00 H new ATOM 743 N LEU A 550 -6.604 11.248 5.498 1.00 0.00 N ATOM 744 CA LEU A 550 -7.030 11.244 4.103 1.00 0.00 C ATOM 745 C LEU A 550 -7.878 12.474 3.768 1.00 0.00 C ATOM 746 O LEU A 550 -8.292 13.218 4.661 1.00 0.00 O ATOM 747 CB LEU A 550 -7.827 9.955 3.830 1.00 0.00 C ATOM 748 CG LEU A 550 -9.281 9.917 4.326 1.00 0.00 C ATOM 749 CD1 LEU A 550 -9.755 8.484 4.373 1.00 0.00 C ATOM 750 CD2 LEU A 550 -9.457 10.569 5.691 1.00 0.00 C ATOM 0 H LEU A 550 -7.133 10.609 6.092 1.00 0.00 H new ATOM 0 HA LEU A 550 -6.145 11.279 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -7.831 9.780 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -7.291 9.122 4.286 1.00 0.00 H new ATOM 0 HG LEU A 550 -9.882 10.494 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 550 -10.786 8.453 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 550 -9.699 8.049 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 550 -9.123 7.914 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -10.504 10.512 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -8.842 10.048 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -9.151 11.614 5.637 1.00 0.00 H new ATOM 762 N PRO A 551 -8.116 12.731 2.472 1.00 0.00 N ATOM 763 CA PRO A 551 -9.130 13.685 2.043 1.00 0.00 C ATOM 764 C PRO A 551 -10.525 13.089 2.242 1.00 0.00 C ATOM 765 O PRO A 551 -10.806 11.986 1.767 1.00 0.00 O ATOM 766 CB PRO A 551 -8.836 13.901 0.547 1.00 0.00 C ATOM 767 CG PRO A 551 -7.534 13.214 0.283 1.00 0.00 C ATOM 768 CD PRO A 551 -7.402 12.149 1.333 1.00 0.00 C ATOM 0 HA PRO A 551 -9.104 14.617 2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 551 -9.631 13.484 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 551 -8.772 14.963 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 551 -7.519 12.779 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 551 -6.704 13.919 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 551 -7.848 11.207 1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 551 -6.359 11.942 1.572 1.00 0.00 H new ATOM 776 N PRO A 552 -11.409 13.801 2.962 1.00 0.00 N ATOM 777 CA PRO A 552 -12.736 13.284 3.338 1.00 0.00 C ATOM 778 C PRO A 552 -13.542 12.716 2.166 1.00 0.00 C ATOM 779 O PRO A 552 -13.964 11.560 2.200 1.00 0.00 O ATOM 780 CB PRO A 552 -13.435 14.516 3.915 1.00 0.00 C ATOM 781 CG PRO A 552 -12.328 15.359 4.441 1.00 0.00 C ATOM 782 CD PRO A 552 -11.175 15.154 3.499 1.00 0.00 C ATOM 0 HA PRO A 552 -12.648 12.443 4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -14.006 15.043 3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -14.135 14.242 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -12.620 16.408 4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -12.061 15.065 5.456 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -11.164 15.904 2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -10.217 15.221 4.015 1.00 0.00 H new ATOM 790 N ARG A 553 -13.724 13.517 1.121 1.00 0.00 N ATOM 791 CA ARG A 553 -14.580 13.129 0.001 1.00 0.00 C ATOM 792 C ARG A 553 -13.962 12.020 -0.836 1.00 0.00 C ATOM 793 O ARG A 553 -14.666 11.340 -1.583 1.00 0.00 O ATOM 794 CB ARG A 553 -14.893 14.332 -0.890 1.00 0.00 C ATOM 795 CG ARG A 553 -15.984 15.232 -0.338 1.00 0.00 C ATOM 796 CD ARG A 553 -17.293 14.476 -0.153 1.00 0.00 C ATOM 797 NE ARG A 553 -18.416 15.384 0.075 1.00 0.00 N ATOM 798 CZ ARG A 553 -19.404 15.157 0.944 1.00 0.00 C ATOM 799 NH1 ARG A 553 -19.416 14.054 1.682 1.00 0.00 N1+ ATOM 800 NH2 ARG A 553 -20.380 16.043 1.079 1.00 0.00 N ATOM 0 H ARG A 553 -13.293 14.436 1.025 1.00 0.00 H new ATOM 0 HA ARG A 553 -15.506 12.749 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 553 -13.984 14.919 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 553 -15.192 13.975 -1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 553 -15.665 15.648 0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 553 -16.141 16.072 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 553 -17.490 13.869 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 553 -17.202 13.792 0.690 1.00 0.00 H new ATOM 0 HE ARG A 553 -18.447 16.248 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 553 -18.666 13.370 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 553 -20.176 13.891 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 553 -20.375 16.896 0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 553 -21.136 15.872 1.742 1.00 0.00 H new ATOM 814 N GLU A 554 -12.658 11.835 -0.708 1.00 0.00 N ATOM 815 CA GLU A 554 -11.958 10.812 -1.468 1.00 0.00 C ATOM 816 C GLU A 554 -12.520 9.438 -1.128 1.00 0.00 C ATOM 817 O GLU A 554 -12.979 8.696 -1.996 1.00 0.00 O ATOM 818 CB GLU A 554 -10.464 10.852 -1.153 1.00 0.00 C ATOM 819 CG GLU A 554 -9.590 10.438 -2.320 1.00 0.00 C ATOM 820 CD GLU A 554 -9.825 11.306 -3.539 1.00 0.00 C ATOM 821 OE1 GLU A 554 -9.648 12.541 -3.435 1.00 0.00 O ATOM 822 OE2 GLU A 554 -10.193 10.769 -4.601 1.00 0.00 O1- ATOM 0 H GLU A 554 -12.063 12.380 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 554 -12.101 11.005 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 554 -10.192 11.862 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 554 -10.261 10.196 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 554 -8.542 10.499 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 554 -9.791 9.397 -2.572 1.00 0.00 H new ATOM 829 N TRP A 555 -12.517 9.134 0.157 1.00 0.00 N ATOM 830 CA TRP A 555 -12.960 7.842 0.644 1.00 0.00 C ATOM 831 C TRP A 555 -14.468 7.737 0.672 1.00 0.00 C ATOM 832 O TRP A 555 -15.015 6.635 0.628 1.00 0.00 O ATOM 833 CB TRP A 555 -12.383 7.591 2.017 1.00 0.00 C ATOM 834 CG TRP A 555 -11.057 6.905 1.944 1.00 0.00 C ATOM 835 CD1 TRP A 555 -9.894 7.378 1.393 1.00 0.00 C ATOM 836 CD2 TRP A 555 -10.761 5.604 2.442 1.00 0.00 C ATOM 837 NE1 TRP A 555 -8.908 6.427 1.512 1.00 0.00 N ATOM 838 CE2 TRP A 555 -9.416 5.340 2.146 1.00 0.00 C ATOM 839 CE3 TRP A 555 -11.511 4.631 3.101 1.00 0.00 C ATOM 840 CZ2 TRP A 555 -8.798 4.154 2.496 1.00 0.00 C ATOM 841 CZ3 TRP A 555 -10.893 3.451 3.446 1.00 0.00 C ATOM 842 CH2 TRP A 555 -9.549 3.222 3.135 1.00 0.00 C ATOM 0 H TRP A 555 -12.209 9.773 0.889 1.00 0.00 H new ATOM 0 HA TRP A 555 -12.599 7.079 -0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 555 -12.274 8.539 2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 555 -13.076 6.982 2.597 1.00 0.00 H new ATOM 0 HD1 TRP A 555 -9.771 8.349 0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 555 -7.949 6.523 1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 555 -12.552 4.799 3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 555 -7.757 3.976 2.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 555 -11.455 2.689 3.966 1.00 0.00 H new ATOM 0 HH2 TRP A 555 -9.098 2.280 3.410 1.00 0.00 H new ATOM 853 N SER A 556 -15.135 8.878 0.766 1.00 0.00 N ATOM 854 CA SER A 556 -16.580 8.932 0.567 1.00 0.00 C ATOM 855 C SER A 556 -16.943 8.245 -0.751 1.00 0.00 C ATOM 856 O SER A 556 -17.978 7.588 -0.869 1.00 0.00 O ATOM 857 CB SER A 556 -17.063 10.385 0.541 1.00 0.00 C ATOM 858 OG SER A 556 -16.763 11.050 1.754 1.00 0.00 O ATOM 0 H SER A 556 -14.703 9.777 0.978 1.00 0.00 H new ATOM 0 HA SER A 556 -17.067 8.416 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 556 -16.594 10.911 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 556 -18.139 10.410 0.367 1.00 0.00 H new ATOM 0 HG SER A 556 -15.793 11.166 1.832 1.00 0.00 H new ATOM 864 N ARG A 557 -16.057 8.397 -1.729 1.00 0.00 N ATOM 865 CA ARG A 557 -16.218 7.779 -3.033 1.00 0.00 C ATOM 866 C ARG A 557 -15.692 6.344 -3.032 1.00 0.00 C ATOM 867 O ARG A 557 -16.393 5.420 -3.444 1.00 0.00 O ATOM 868 CB ARG A 557 -15.474 8.594 -4.089 1.00 0.00 C ATOM 869 CG ARG A 557 -16.043 9.984 -4.305 1.00 0.00 C ATOM 870 CD ARG A 557 -15.121 10.824 -5.171 1.00 0.00 C ATOM 871 NE ARG A 557 -14.721 10.124 -6.394 1.00 0.00 N ATOM 872 CZ ARG A 557 -14.036 10.683 -7.386 1.00 0.00 C ATOM 873 NH1 ARG A 557 -13.742 11.978 -7.352 1.00 0.00 N1+ ATOM 874 NH2 ARG A 557 -13.666 9.941 -8.425 1.00 0.00 N ATOM 0 H ARG A 557 -15.207 8.953 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 557 -17.282 7.756 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 557 -14.428 8.682 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 557 -15.496 8.052 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 557 -17.023 9.910 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 557 -16.189 10.474 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 557 -15.622 11.755 -5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 557 -14.232 11.091 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 557 -14.986 9.144 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 557 -14.042 12.549 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 557 -13.216 12.402 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 557 -13.908 8.951 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 557 -13.140 10.362 -9.191 1.00 0.00 H new ATOM 888 N LEU A 558 -14.457 6.171 -2.553 1.00 0.00 N ATOM 889 CA LEU A 558 -13.764 4.881 -2.632 1.00 0.00 C ATOM 890 C LEU A 558 -14.554 3.763 -1.946 1.00 0.00 C ATOM 891 O LEU A 558 -14.860 2.751 -2.564 1.00 0.00 O ATOM 892 CB LEU A 558 -12.362 4.972 -2.019 1.00 0.00 C ATOM 893 CG LEU A 558 -11.502 6.139 -2.500 1.00 0.00 C ATOM 894 CD1 LEU A 558 -10.166 6.137 -1.780 1.00 0.00 C ATOM 895 CD2 LEU A 558 -11.295 6.073 -4.000 1.00 0.00 C ATOM 0 H LEU A 558 -13.915 6.910 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.677 4.636 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.463 5.042 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.832 4.043 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 558 -12.023 7.068 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.562 6.973 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.331 6.234 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.644 5.202 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -10.680 6.914 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -10.795 5.139 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.261 6.118 -4.503 1.00 0.00 H new ATOM 907 N LEU A 559 -14.898 3.949 -0.675 1.00 0.00 N ATOM 908 CA LEU A 559 -15.631 2.937 0.077 1.00 0.00 C ATOM 909 C LEU A 559 -17.079 2.805 -0.405 1.00 0.00 C ATOM 910 O LEU A 559 -17.836 1.979 0.102 1.00 0.00 O ATOM 911 CB LEU A 559 -15.606 3.287 1.562 1.00 0.00 C ATOM 912 CG LEU A 559 -14.447 2.704 2.385 1.00 0.00 C ATOM 913 CD1 LEU A 559 -14.966 1.668 3.364 1.00 0.00 C ATOM 914 CD2 LEU A 559 -13.374 2.073 1.508 1.00 0.00 C ATOM 0 H LEU A 559 -14.680 4.792 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 559 -15.142 1.977 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 559 -15.579 4.373 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 559 -16.543 2.952 2.007 1.00 0.00 H new ATOM 0 HG LEU A 559 -13.993 3.535 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 559 -14.134 1.263 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 559 -15.683 2.133 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 559 -15.454 0.862 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 559 -12.577 1.676 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 559 -13.812 1.264 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 559 -12.964 2.827 0.836 1.00 0.00 H new ATOM 926 N GLY A 560 -17.457 3.619 -1.383 1.00 0.00 N ATOM 927 CA GLY A 560 -18.799 3.553 -1.917 1.00 0.00 C ATOM 928 C GLY A 560 -18.879 2.744 -3.198 1.00 0.00 C ATOM 929 O GLY A 560 -19.897 2.105 -3.473 1.00 0.00 O ATOM 0 H GLY A 560 -16.857 4.322 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -19.461 3.112 -1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -19.160 4.564 -2.107 1.00 0.00 H new ATOM 933 N ASP A 561 -17.809 2.764 -3.983 1.00 0.00 N ATOM 934 CA ASP A 561 -17.775 2.043 -5.248 1.00 0.00 C ATOM 935 C ASP A 561 -16.503 1.201 -5.348 1.00 0.00 C ATOM 936 O ASP A 561 -15.418 1.664 -5.008 1.00 0.00 O ATOM 937 CB ASP A 561 -17.859 3.017 -6.424 1.00 0.00 C ATOM 938 CG ASP A 561 -17.929 2.305 -7.760 1.00 0.00 C ATOM 939 OD1 ASP A 561 -16.871 1.877 -8.262 1.00 0.00 O ATOM 940 OD2 ASP A 561 -19.045 2.166 -8.311 1.00 0.00 O1- ATOM 0 H ASP A 561 -16.952 3.273 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 561 -18.638 1.378 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 561 -18.739 3.650 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 561 -16.990 3.674 -6.411 1.00 0.00 H new ATOM 945 N ALA A 562 -16.642 -0.023 -5.842 1.00 0.00 N ATOM 946 CA ALA A 562 -15.542 -0.986 -5.843 1.00 0.00 C ATOM 947 C ALA A 562 -14.392 -0.561 -6.745 1.00 0.00 C ATOM 948 O ALA A 562 -13.242 -0.554 -6.318 1.00 0.00 O ATOM 949 CB ALA A 562 -16.036 -2.365 -6.244 1.00 0.00 C ATOM 0 H ALA A 562 -17.508 -0.376 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 562 -15.158 -1.022 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -15.202 -3.066 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -16.796 -2.699 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -16.466 -2.321 -7.245 1.00 0.00 H new ATOM 955 N LYS A 563 -14.691 -0.212 -7.987 1.00 0.00 N ATOM 956 CA LYS A 563 -13.650 0.177 -8.924 1.00 0.00 C ATOM 957 C LYS A 563 -13.120 1.563 -8.594 1.00 0.00 C ATOM 958 O LYS A 563 -12.029 1.935 -9.028 1.00 0.00 O ATOM 959 CB LYS A 563 -14.120 0.102 -10.385 1.00 0.00 C ATOM 960 CG LYS A 563 -15.548 0.564 -10.632 1.00 0.00 C ATOM 961 CD LYS A 563 -16.547 -0.556 -10.372 1.00 0.00 C ATOM 962 CE LYS A 563 -17.981 -0.065 -10.456 1.00 0.00 C ATOM 963 NZ LYS A 563 -18.349 0.395 -11.822 1.00 0.00 N1+ ATOM 0 H LYS A 563 -15.638 -0.190 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 563 -12.837 -0.541 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -13.449 0.705 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -14.024 -0.928 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -15.774 1.413 -9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -15.647 0.911 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -16.394 -1.355 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -16.366 -0.982 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -18.654 -0.867 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -18.123 0.754 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -19.347 0.688 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -17.749 1.201 -12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -18.209 -0.382 -12.499 1.00 0.00 H new ATOM 977 N GLU A 564 -13.889 2.320 -7.825 1.00 0.00 N ATOM 978 CA GLU A 564 -13.408 3.583 -7.293 1.00 0.00 C ATOM 979 C GLU A 564 -12.334 3.307 -6.242 1.00 0.00 C ATOM 980 O GLU A 564 -11.264 3.913 -6.248 1.00 0.00 O ATOM 981 CB GLU A 564 -14.560 4.374 -6.671 1.00 0.00 C ATOM 982 CG GLU A 564 -14.175 5.777 -6.232 1.00 0.00 C ATOM 983 CD GLU A 564 -14.228 6.787 -7.360 1.00 0.00 C ATOM 984 OE1 GLU A 564 -13.359 6.744 -8.256 1.00 0.00 O ATOM 985 OE2 GLU A 564 -15.138 7.641 -7.347 1.00 0.00 O1- ATOM 0 H GLU A 564 -14.844 2.082 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 564 -12.984 4.176 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 564 -15.374 4.440 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 564 -14.941 3.826 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 564 -14.844 6.098 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 564 -13.168 5.758 -5.816 1.00 0.00 H new ATOM 992 N LEU A 565 -12.623 2.366 -5.351 1.00 0.00 N ATOM 993 CA LEU A 565 -11.695 1.978 -4.307 1.00 0.00 C ATOM 994 C LEU A 565 -10.489 1.277 -4.914 1.00 0.00 C ATOM 995 O LEU A 565 -9.340 1.577 -4.579 1.00 0.00 O ATOM 996 CB LEU A 565 -12.415 1.064 -3.317 1.00 0.00 C ATOM 997 CG LEU A 565 -11.620 0.671 -2.077 1.00 0.00 C ATOM 998 CD1 LEU A 565 -11.018 1.898 -1.419 1.00 0.00 C ATOM 999 CD2 LEU A 565 -12.525 -0.059 -1.104 1.00 0.00 C ATOM 0 H LEU A 565 -13.505 1.855 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 565 -11.339 2.863 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 565 -13.332 1.558 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 565 -12.710 0.154 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 565 -10.805 0.010 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 565 -10.454 1.598 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -10.352 2.398 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 565 -11.815 2.581 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 565 -11.956 -0.340 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 565 -13.349 0.593 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 565 -12.922 -0.956 -1.579 1.00 0.00 H new ATOM 1011 N ALA A 566 -10.766 0.361 -5.830 1.00 0.00 N ATOM 1012 CA ALA A 566 -9.726 -0.369 -6.536 1.00 0.00 C ATOM 1013 C ALA A 566 -8.826 0.573 -7.331 1.00 0.00 C ATOM 1014 O ALA A 566 -7.681 0.238 -7.627 1.00 0.00 O ATOM 1015 CB ALA A 566 -10.346 -1.401 -7.459 1.00 0.00 C ATOM 0 H ALA A 566 -11.715 0.104 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 566 -9.109 -0.876 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 566 -9.557 -1.941 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 566 -10.940 -2.103 -6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 566 -10.987 -0.901 -8.185 1.00 0.00 H new ATOM 1021 N ASN A 567 -9.352 1.750 -7.671 1.00 0.00 N ATOM 1022 CA ASN A 567 -8.599 2.753 -8.425 1.00 0.00 C ATOM 1023 C ASN A 567 -7.297 3.102 -7.712 1.00 0.00 C ATOM 1024 O ASN A 567 -6.215 3.058 -8.291 1.00 0.00 O ATOM 1025 CB ASN A 567 -9.443 4.020 -8.621 1.00 0.00 C ATOM 1026 CG ASN A 567 -8.750 5.077 -9.464 1.00 0.00 C ATOM 1027 OD1 ASN A 567 -9.032 6.339 -9.177 1.00 0.00 O flip ATOM 1028 ND2 ASN A 567 -7.972 4.769 -10.364 1.00 0.00 N flip ATOM 0 H ASN A 567 -10.303 2.033 -7.434 1.00 0.00 H new ATOM 0 HA ASN A 567 -8.359 2.332 -9.401 1.00 0.00 H new ATOM 0 HB2 ASN A 567 -10.388 3.750 -9.093 1.00 0.00 H new ATOM 0 HB3 ASN A 567 -9.684 4.443 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 567 -7.779 3.786 -10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 567 -7.520 5.496 -10.918 1.00 0.00 H new ATOM 1035 N ILE A 568 -7.416 3.416 -6.445 1.00 0.00 N ATOM 1036 CA ILE A 568 -6.271 3.809 -5.646 1.00 0.00 C ATOM 1037 C ILE A 568 -5.544 2.584 -5.098 1.00 0.00 C ATOM 1038 O ILE A 568 -4.317 2.545 -5.083 1.00 0.00 O ATOM 1039 CB ILE A 568 -6.674 4.753 -4.491 1.00 0.00 C ATOM 1040 CG1 ILE A 568 -7.279 6.042 -5.058 1.00 0.00 C ATOM 1041 CG2 ILE A 568 -5.472 5.065 -3.612 1.00 0.00 C ATOM 1042 CD1 ILE A 568 -7.626 7.077 -4.006 1.00 0.00 C ATOM 0 H ILE A 568 -8.301 3.408 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 568 -5.593 4.355 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 568 -7.423 4.256 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 568 -6.575 6.480 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 568 -8.180 5.792 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 568 -5.775 5.731 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 568 -5.079 4.140 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 568 -4.700 5.548 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 568 -8.048 7.959 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 568 -8.355 6.659 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 568 -6.725 7.358 -3.461 1.00 0.00 H new ATOM 1054 N LEU A 569 -6.303 1.571 -4.678 1.00 0.00 N ATOM 1055 CA LEU A 569 -5.710 0.361 -4.105 1.00 0.00 C ATOM 1056 C LEU A 569 -4.796 -0.363 -5.097 1.00 0.00 C ATOM 1057 O LEU A 569 -3.848 -1.037 -4.697 1.00 0.00 O ATOM 1058 CB LEU A 569 -6.799 -0.591 -3.609 1.00 0.00 C ATOM 1059 CG LEU A 569 -7.613 -0.070 -2.426 1.00 0.00 C ATOM 1060 CD1 LEU A 569 -8.638 -1.101 -1.995 1.00 0.00 C ATOM 1061 CD2 LEU A 569 -6.701 0.294 -1.265 1.00 0.00 C ATOM 0 H LEU A 569 -7.322 1.563 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 569 -5.097 0.678 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -7.479 -0.805 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -6.335 -1.536 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 569 -8.139 0.831 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -9.210 -0.715 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -9.313 -1.312 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -8.129 -2.018 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -7.301 0.663 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -6.145 -0.589 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -6.002 1.069 -1.580 1.00 0.00 H new ATOM 1073 N LYS A 570 -5.073 -0.220 -6.390 1.00 0.00 N ATOM 1074 CA LYS A 570 -4.227 -0.828 -7.416 1.00 0.00 C ATOM 1075 C LYS A 570 -2.948 -0.016 -7.620 1.00 0.00 C ATOM 1076 O LYS A 570 -2.044 -0.435 -8.345 1.00 0.00 O ATOM 1077 CB LYS A 570 -4.970 -1.004 -8.746 1.00 0.00 C ATOM 1078 CG LYS A 570 -5.971 -2.152 -8.739 1.00 0.00 C ATOM 1079 CD LYS A 570 -6.349 -2.567 -10.153 1.00 0.00 C ATOM 1080 CE LYS A 570 -7.192 -3.833 -10.161 1.00 0.00 C ATOM 1081 NZ LYS A 570 -8.563 -3.610 -9.626 1.00 0.00 N1+ ATOM 0 H LYS A 570 -5.869 0.306 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 570 -3.957 -1.822 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -5.493 -0.078 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -4.242 -1.173 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -5.546 -3.004 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -6.866 -1.853 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -6.901 -1.759 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -5.444 -2.728 -10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -7.261 -4.213 -11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -6.695 -4.600 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -9.206 -4.333 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -8.545 -3.675 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -8.897 -2.666 -9.908 1.00 0.00 H new ATOM 1095 N TYR A 571 -2.897 1.169 -7.029 1.00 0.00 N ATOM 1096 CA TYR A 571 -1.698 1.992 -7.088 1.00 0.00 C ATOM 1097 C TYR A 571 -0.885 1.876 -5.793 1.00 0.00 C ATOM 1098 O TYR A 571 0.304 2.173 -5.776 1.00 0.00 O ATOM 1099 CB TYR A 571 -2.072 3.454 -7.382 1.00 0.00 C ATOM 1100 CG TYR A 571 -0.921 4.435 -7.260 1.00 0.00 C ATOM 1101 CD1 TYR A 571 0.158 4.379 -8.130 1.00 0.00 C ATOM 1102 CD2 TYR A 571 -0.917 5.413 -6.271 1.00 0.00 C ATOM 1103 CE1 TYR A 571 1.210 5.268 -8.023 1.00 0.00 C ATOM 1104 CE2 TYR A 571 0.131 6.308 -6.158 1.00 0.00 C ATOM 1105 CZ TYR A 571 1.193 6.232 -7.036 1.00 0.00 C ATOM 1106 OH TYR A 571 2.239 7.119 -6.925 1.00 0.00 O ATOM 0 H TYR A 571 -3.669 1.581 -6.505 1.00 0.00 H new ATOM 0 HA TYR A 571 -1.069 1.629 -7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 571 -2.480 3.516 -8.391 1.00 0.00 H new ATOM 0 HB3 TYR A 571 -2.865 3.757 -6.699 1.00 0.00 H new ATOM 0 HD1 TYR A 571 0.176 3.627 -8.905 1.00 0.00 H new ATOM 0 HD2 TYR A 571 -1.745 5.474 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 571 2.042 5.209 -8.709 1.00 0.00 H new ATOM 0 HE2 TYR A 571 0.118 7.063 -5.386 1.00 0.00 H new ATOM 0 HH TYR A 571 2.987 6.814 -7.481 1.00 0.00 H new ATOM 1116 N HIS A 572 -1.523 1.418 -4.719 1.00 0.00 N ATOM 1117 CA HIS A 572 -0.816 1.164 -3.462 1.00 0.00 C ATOM 1118 C HIS A 572 0.172 0.013 -3.627 1.00 0.00 C ATOM 1119 O HIS A 572 1.162 -0.093 -2.899 1.00 0.00 O ATOM 1120 CB HIS A 572 -1.804 0.819 -2.342 1.00 0.00 C ATOM 1121 CG HIS A 572 -2.363 2.010 -1.618 1.00 0.00 C ATOM 1122 ND1 HIS A 572 -3.599 2.524 -1.918 1.00 0.00 N ATOM 1123 CD2 HIS A 572 -1.826 2.725 -0.601 1.00 0.00 C ATOM 1124 CE1 HIS A 572 -3.786 3.531 -1.084 1.00 0.00 C ATOM 1125 NE2 HIS A 572 -2.738 3.691 -0.261 1.00 0.00 N ATOM 0 H HIS A 572 -2.522 1.215 -4.691 1.00 0.00 H new ATOM 0 HA HIS A 572 -0.275 2.072 -3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 572 -2.629 0.247 -2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 572 -1.305 0.172 -1.621 1.00 0.00 H new ATOM 0 HD2 HIS A 572 -0.861 2.565 -0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 572 -4.672 4.149 -1.067 1.00 0.00 H new ATOM 0 HE2 HIS A 572 -2.639 4.393 0.473 1.00 0.00 H new ATOM 1133 N ILE A 573 -0.119 -0.845 -4.591 1.00 0.00 N ATOM 1134 CA ILE A 573 0.665 -2.039 -4.839 1.00 0.00 C ATOM 1135 C ILE A 573 1.525 -1.864 -6.091 1.00 0.00 C ATOM 1136 O ILE A 573 1.093 -1.253 -7.068 1.00 0.00 O ATOM 1137 CB ILE A 573 -0.268 -3.260 -5.012 1.00 0.00 C ATOM 1138 CG1 ILE A 573 -1.121 -3.462 -3.758 1.00 0.00 C ATOM 1139 CG2 ILE A 573 0.524 -4.519 -5.345 1.00 0.00 C ATOM 1140 CD1 ILE A 573 -2.197 -4.516 -3.916 1.00 0.00 C ATOM 0 H ILE A 573 -0.910 -0.730 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 573 1.320 -2.206 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 573 -0.934 -3.062 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -0.471 -3.741 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -1.589 -2.515 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -0.160 -5.359 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 573 1.073 -4.368 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 573 1.226 -4.731 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -2.760 -4.603 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -2.871 -4.230 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -1.735 -5.475 -4.152 1.00 0.00 H new ATOM 1152 N GLY A 574 2.744 -2.373 -6.040 1.00 0.00 N ATOM 1153 CA GLY A 574 3.614 -2.348 -7.196 1.00 0.00 C ATOM 1154 C GLY A 574 3.679 -3.704 -7.874 1.00 0.00 C ATOM 1155 O GLY A 574 3.284 -4.710 -7.287 1.00 0.00 O ATOM 0 H GLY A 574 3.150 -2.807 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 574 3.256 -1.602 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 574 4.616 -2.044 -6.892 1.00 0.00 H new ATOM 1159 N ASP A 575 4.206 -3.729 -9.092 1.00 0.00 N ATOM 1160 CA ASP A 575 4.175 -4.926 -9.940 1.00 0.00 C ATOM 1161 C ASP A 575 5.094 -6.044 -9.433 1.00 0.00 C ATOM 1162 O ASP A 575 4.805 -7.222 -9.632 1.00 0.00 O ATOM 1163 CB ASP A 575 4.548 -4.541 -11.375 1.00 0.00 C ATOM 1164 CG ASP A 575 4.462 -5.699 -12.349 1.00 0.00 C ATOM 1165 OD1 ASP A 575 3.336 -6.175 -12.626 1.00 0.00 O ATOM 1166 OD2 ASP A 575 5.513 -6.117 -12.873 1.00 0.00 O1- ATOM 0 H ASP A 575 4.666 -2.927 -9.523 1.00 0.00 H new ATOM 0 HA ASP A 575 3.160 -5.323 -9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 575 3.888 -3.742 -11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 575 5.562 -4.142 -11.385 1.00 0.00 H new ATOM 1171 N GLU A 576 6.187 -5.685 -8.776 1.00 0.00 N ATOM 1172 CA GLU A 576 7.129 -6.678 -8.277 1.00 0.00 C ATOM 1173 C GLU A 576 7.780 -6.197 -7.006 1.00 0.00 C ATOM 1174 O GLU A 576 7.502 -5.093 -6.549 1.00 0.00 O ATOM 1175 CB GLU A 576 8.187 -7.029 -9.327 1.00 0.00 C ATOM 1176 CG GLU A 576 9.138 -5.896 -9.682 1.00 0.00 C ATOM 1177 CD GLU A 576 10.252 -6.349 -10.605 1.00 0.00 C ATOM 1178 OE1 GLU A 576 11.075 -7.196 -10.183 1.00 0.00 O1- ATOM 1179 OE2 GLU A 576 10.309 -5.871 -11.758 1.00 0.00 O ATOM 0 H GLU A 576 6.444 -4.718 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 576 6.568 -7.587 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 576 8.772 -7.874 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 576 7.682 -7.358 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 576 8.579 -5.091 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 576 9.570 -5.487 -8.768 1.00 0.00 H new ATOM 1186 N ILE A 577 8.639 -7.028 -6.430 1.00 0.00 N ATOM 1187 CA ILE A 577 9.169 -6.744 -5.114 1.00 0.00 C ATOM 1188 C ILE A 577 10.328 -5.748 -5.167 1.00 0.00 C ATOM 1189 O ILE A 577 11.330 -5.973 -5.845 1.00 0.00 O ATOM 1190 CB ILE A 577 9.629 -8.024 -4.383 1.00 0.00 C ATOM 1191 CG1 ILE A 577 8.490 -9.047 -4.341 1.00 0.00 C ATOM 1192 CG2 ILE A 577 10.094 -7.689 -2.971 1.00 0.00 C ATOM 1193 CD1 ILE A 577 8.885 -10.365 -3.712 1.00 0.00 C ATOM 0 H ILE A 577 8.977 -7.893 -6.852 1.00 0.00 H new ATOM 0 HA ILE A 577 8.347 -6.299 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 577 10.467 -8.457 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 577 7.653 -8.624 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 577 8.138 -9.229 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 577 10.415 -8.601 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 577 10.927 -6.988 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 577 9.272 -7.238 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 577 8.030 -11.041 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 577 9.701 -10.810 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 577 9.209 -10.196 -2.685 1.00 0.00 H new ATOM 1205 N LEU A 578 10.163 -4.643 -4.454 1.00 0.00 N ATOM 1206 CA LEU A 578 11.204 -3.640 -4.300 1.00 0.00 C ATOM 1207 C LEU A 578 11.506 -3.447 -2.821 1.00 0.00 C ATOM 1208 O LEU A 578 10.832 -2.682 -2.135 1.00 0.00 O ATOM 1209 CB LEU A 578 10.770 -2.310 -4.921 1.00 0.00 C ATOM 1210 CG LEU A 578 11.729 -1.136 -4.704 1.00 0.00 C ATOM 1211 CD1 LEU A 578 13.049 -1.384 -5.417 1.00 0.00 C ATOM 1212 CD2 LEU A 578 11.089 0.160 -5.178 1.00 0.00 C ATOM 0 H LEU A 578 9.298 -4.417 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 578 12.101 -3.982 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 578 10.639 -2.456 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 578 9.795 -2.040 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 578 11.936 -1.046 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 578 13.717 -0.539 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 578 13.509 -2.292 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 578 12.869 -1.500 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 578 11.781 0.987 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 578 10.854 0.083 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 578 10.172 0.340 -4.616 1.00 0.00 H new ATOM 1224 N VAL A 579 12.492 -4.174 -2.331 1.00 0.00 N ATOM 1225 CA VAL A 579 12.836 -4.123 -0.921 1.00 0.00 C ATOM 1226 C VAL A 579 13.758 -2.953 -0.615 1.00 0.00 C ATOM 1227 O VAL A 579 14.278 -2.298 -1.521 1.00 0.00 O ATOM 1228 CB VAL A 579 13.496 -5.437 -0.454 1.00 0.00 C ATOM 1229 CG1 VAL A 579 12.496 -6.581 -0.523 1.00 0.00 C ATOM 1230 CG2 VAL A 579 14.734 -5.753 -1.285 1.00 0.00 C ATOM 0 H VAL A 579 13.069 -4.806 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 579 11.903 -3.986 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 579 13.812 -5.312 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 579 12.974 -7.503 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 579 11.646 -6.360 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 579 12.151 -6.701 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 579 15.179 -6.684 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 579 14.452 -5.857 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 579 15.457 -4.944 -1.183 1.00 0.00 H new ATOM 1240 N SER A 580 13.948 -2.705 0.671 1.00 0.00 N ATOM 1241 CA SER A 580 14.830 -1.648 1.156 1.00 0.00 C ATOM 1242 C SER A 580 16.275 -1.856 0.698 1.00 0.00 C ATOM 1243 O SER A 580 17.092 -0.938 0.768 1.00 0.00 O ATOM 1244 CB SER A 580 14.773 -1.572 2.682 1.00 0.00 C ATOM 1245 OG SER A 580 13.439 -1.395 3.128 1.00 0.00 O ATOM 0 H SER A 580 13.493 -3.234 1.415 1.00 0.00 H new ATOM 0 HA SER A 580 14.479 -0.708 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 580 15.187 -2.484 3.112 1.00 0.00 H new ATOM 0 HB3 SER A 580 15.391 -0.746 3.033 1.00 0.00 H new ATOM 0 HG SER A 580 12.868 -2.088 2.736 1.00 0.00 H new ATOM 1251 N GLY A 581 16.589 -3.064 0.236 1.00 0.00 N ATOM 1252 CA GLY A 581 17.881 -3.312 -0.376 1.00 0.00 C ATOM 1253 C GLY A 581 18.003 -2.594 -1.708 1.00 0.00 C ATOM 1254 O GLY A 581 19.096 -2.433 -2.247 1.00 0.00 O ATOM 0 H GLY A 581 15.971 -3.875 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 581 18.674 -2.979 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 581 18.017 -4.383 -0.523 1.00 0.00 H new ATOM 1258 N GLY A 582 16.859 -2.175 -2.234 1.00 0.00 N ATOM 1259 CA GLY A 582 16.817 -1.392 -3.449 1.00 0.00 C ATOM 1260 C GLY A 582 16.598 0.080 -3.153 1.00 0.00 C ATOM 1261 O GLY A 582 17.016 0.951 -3.919 1.00 0.00 O ATOM 0 H GLY A 582 15.943 -2.370 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 582 17.750 -1.519 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 582 16.017 -1.758 -4.092 1.00 0.00 H new ATOM 1265 N ILE A 583 15.929 0.348 -2.035 1.00 0.00 N ATOM 1266 CA ILE A 583 15.683 1.710 -1.578 1.00 0.00 C ATOM 1267 C ILE A 583 16.976 2.334 -1.058 1.00 0.00 C ATOM 1268 O ILE A 583 17.308 2.205 0.117 1.00 0.00 O ATOM 1269 CB ILE A 583 14.614 1.728 -0.460 1.00 0.00 C ATOM 1270 CG1 ILE A 583 13.363 0.982 -0.922 1.00 0.00 C ATOM 1271 CG2 ILE A 583 14.259 3.157 -0.058 1.00 0.00 C ATOM 1272 CD1 ILE A 583 12.353 0.760 0.179 1.00 0.00 C ATOM 0 H ILE A 583 15.544 -0.371 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 583 15.317 2.291 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 583 15.028 1.227 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 583 12.892 1.544 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 583 13.657 0.017 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 583 13.505 3.137 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 583 15.152 3.665 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 583 13.866 3.691 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 583 11.491 0.225 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 583 12.807 0.172 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 583 12.031 1.722 0.576 1.00 0.00 H new ATOM 1284 N GLY A 584 17.726 2.971 -1.950 1.00 0.00 N ATOM 1285 CA GLY A 584 18.970 3.606 -1.552 1.00 0.00 C ATOM 1286 C GLY A 584 18.914 5.113 -1.683 1.00 0.00 C ATOM 1287 O GLY A 584 19.117 5.841 -0.713 1.00 0.00 O ATOM 0 H GLY A 584 17.496 3.059 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 584 19.196 3.342 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 584 19.784 3.220 -2.165 1.00 0.00 H new ATOM 1291 N ALA A 585 18.650 5.584 -2.892 1.00 0.00 N ATOM 1292 CA ALA A 585 18.475 7.006 -3.134 1.00 0.00 C ATOM 1293 C ALA A 585 17.037 7.286 -3.537 1.00 0.00 C ATOM 1294 O ALA A 585 16.261 7.852 -2.766 1.00 0.00 O ATOM 1295 CB ALA A 585 19.432 7.487 -4.213 1.00 0.00 C ATOM 0 H ALA A 585 18.552 5.000 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 585 18.698 7.549 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 585 19.286 8.554 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 585 20.459 7.307 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 585 19.239 6.945 -5.139 1.00 0.00 H new ATOM 1301 N LEU A 586 16.690 6.872 -4.750 1.00 0.00 N ATOM 1302 CA LEU A 586 15.331 6.994 -5.254 1.00 0.00 C ATOM 1303 C LEU A 586 15.127 5.982 -6.373 1.00 0.00 C ATOM 1304 O LEU A 586 15.947 5.882 -7.284 1.00 0.00 O ATOM 1305 CB LEU A 586 15.080 8.428 -5.749 1.00 0.00 C ATOM 1306 CG LEU A 586 13.608 8.845 -5.924 1.00 0.00 C ATOM 1307 CD1 LEU A 586 13.494 10.363 -5.977 1.00 0.00 C ATOM 1308 CD2 LEU A 586 13.004 8.243 -7.186 1.00 0.00 C ATOM 0 H LEU A 586 17.341 6.444 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 586 14.616 6.788 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 586 15.549 9.118 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 586 15.586 8.552 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 586 13.053 8.466 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 586 12.448 10.645 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 586 13.877 10.789 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 586 14.074 10.742 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 586 11.965 8.558 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 586 13.565 8.584 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 586 13.050 7.155 -7.128 1.00 0.00 H new ATOM 1320 N VAL A 587 14.057 5.214 -6.280 1.00 0.00 N ATOM 1321 CA VAL A 587 13.739 4.208 -7.280 1.00 0.00 C ATOM 1322 C VAL A 587 12.228 4.122 -7.480 1.00 0.00 C ATOM 1323 O VAL A 587 11.462 4.210 -6.524 1.00 0.00 O ATOM 1324 CB VAL A 587 14.315 2.826 -6.886 1.00 0.00 C ATOM 1325 CG1 VAL A 587 13.825 2.407 -5.509 1.00 0.00 C ATOM 1326 CG2 VAL A 587 13.970 1.769 -7.925 1.00 0.00 C ATOM 0 H VAL A 587 13.386 5.268 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 587 14.202 4.506 -8.221 1.00 0.00 H new ATOM 0 HB VAL A 587 15.401 2.917 -6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 587 14.243 1.433 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 587 14.143 3.143 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 587 12.737 2.345 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 587 14.388 0.809 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 587 12.887 1.682 -8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 587 14.388 2.057 -8.890 1.00 0.00 H new ATOM 1336 N ARG A 588 11.803 3.975 -8.725 1.00 0.00 N ATOM 1337 CA ARG A 588 10.386 3.938 -9.039 1.00 0.00 C ATOM 1338 C ARG A 588 9.936 2.534 -9.424 1.00 0.00 C ATOM 1339 O ARG A 588 10.642 1.803 -10.125 1.00 0.00 O ATOM 1340 CB ARG A 588 10.063 4.927 -10.158 1.00 0.00 C ATOM 1341 CG ARG A 588 10.924 4.758 -11.394 1.00 0.00 C ATOM 1342 CD ARG A 588 10.486 5.701 -12.501 1.00 0.00 C ATOM 1343 NE ARG A 588 10.470 7.099 -12.061 1.00 0.00 N ATOM 1344 CZ ARG A 588 10.470 8.140 -12.891 1.00 0.00 C ATOM 1345 NH1 ARG A 588 10.491 7.950 -14.206 1.00 0.00 N1+ ATOM 1346 NH2 ARG A 588 10.438 9.371 -12.393 1.00 0.00 N ATOM 0 H ARG A 588 12.419 3.880 -9.532 1.00 0.00 H new ATOM 0 HA ARG A 588 9.839 4.228 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 588 9.016 4.814 -10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 588 10.184 5.942 -9.779 1.00 0.00 H new ATOM 0 HG2 ARG A 588 11.967 4.948 -11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 588 10.863 3.728 -11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 588 11.159 5.597 -13.352 1.00 0.00 H new ATOM 0 HD3 ARG A 588 9.491 5.418 -12.845 1.00 0.00 H new ATOM 0 HE ARG A 588 10.458 7.286 -11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 588 10.507 7.003 -14.584 1.00 0.00 H new ATOM 0 HH12 ARG A 588 10.491 8.751 -14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 588 10.414 9.512 -11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 588 10.438 10.175 -13.020 1.00 0.00 H new ATOM 1360 N LEU A 589 8.754 2.176 -8.954 1.00 0.00 N ATOM 1361 CA LEU A 589 8.167 0.876 -9.202 1.00 0.00 C ATOM 1362 C LEU A 589 6.788 1.057 -9.835 1.00 0.00 C ATOM 1363 O LEU A 589 5.923 1.713 -9.265 1.00 0.00 O ATOM 1364 CB LEU A 589 8.036 0.120 -7.874 1.00 0.00 C ATOM 1365 CG LEU A 589 8.215 -1.398 -7.928 1.00 0.00 C ATOM 1366 CD1 LEU A 589 7.852 -2.003 -6.585 1.00 0.00 C ATOM 1367 CD2 LEU A 589 7.380 -2.020 -9.031 1.00 0.00 C ATOM 0 H LEU A 589 8.171 2.788 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 589 8.801 0.306 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 589 8.771 0.525 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 589 7.051 0.332 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 589 9.261 -1.610 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 589 7.980 -3.085 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 589 8.501 -1.590 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 589 6.814 -1.770 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 589 7.533 -3.099 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 589 6.326 -1.804 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 589 7.680 -1.604 -9.993 1.00 0.00 H new ATOM 1379 N LYS A 590 6.598 0.500 -11.016 1.00 0.00 N ATOM 1380 CA LYS A 590 5.304 0.564 -11.684 1.00 0.00 C ATOM 1381 C LYS A 590 4.248 -0.176 -10.864 1.00 0.00 C ATOM 1382 O LYS A 590 4.523 -1.231 -10.290 1.00 0.00 O ATOM 1383 CB LYS A 590 5.407 -0.053 -13.075 1.00 0.00 C ATOM 1384 CG LYS A 590 4.155 0.094 -13.922 1.00 0.00 C ATOM 1385 CD LYS A 590 3.901 1.536 -14.316 1.00 0.00 C ATOM 1386 CE LYS A 590 2.665 1.656 -15.190 1.00 0.00 C ATOM 1387 NZ LYS A 590 2.819 0.943 -16.488 1.00 0.00 N1+ ATOM 0 H LYS A 590 7.319 -0.002 -11.535 1.00 0.00 H new ATOM 0 HA LYS A 590 5.008 1.609 -11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 590 6.243 0.407 -13.602 1.00 0.00 H new ATOM 0 HB3 LYS A 590 5.639 -1.113 -12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 590 4.252 -0.516 -14.820 1.00 0.00 H new ATOM 0 HG3 LYS A 590 3.297 -0.287 -13.369 1.00 0.00 H new ATOM 0 HD2 LYS A 590 3.777 2.144 -13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 590 4.767 1.928 -14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 590 1.805 1.252 -14.656 1.00 0.00 H new ATOM 0 HE3 LYS A 590 2.457 2.709 -15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 590 2.066 1.242 -17.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 590 3.746 1.171 -16.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 590 2.753 -0.083 -16.331 1.00 0.00 H new ATOM 1401 N SER A 591 3.050 0.374 -10.812 1.00 0.00 N ATOM 1402 CA SER A 591 1.969 -0.229 -10.043 1.00 0.00 C ATOM 1403 C SER A 591 1.010 -0.961 -10.976 1.00 0.00 C ATOM 1404 O SER A 591 1.234 -1.003 -12.189 1.00 0.00 O ATOM 1405 CB SER A 591 1.211 0.843 -9.254 1.00 0.00 C ATOM 1406 OG SER A 591 0.418 1.657 -10.104 1.00 0.00 O ATOM 0 H SER A 591 2.797 1.238 -11.292 1.00 0.00 H new ATOM 0 HA SER A 591 2.399 -0.942 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 591 0.574 0.365 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 591 1.922 1.467 -8.712 1.00 0.00 H new ATOM 0 HG SER A 591 -0.514 1.356 -10.069 1.00 0.00 H new ATOM 1412 N LEU A 592 -0.057 -1.527 -10.418 1.00 0.00 N ATOM 1413 CA LEU A 592 -1.053 -2.231 -11.221 1.00 0.00 C ATOM 1414 C LEU A 592 -1.953 -1.239 -11.942 1.00 0.00 C ATOM 1415 O LEU A 592 -2.252 -1.395 -13.125 1.00 0.00 O ATOM 1416 CB LEU A 592 -1.936 -3.135 -10.353 1.00 0.00 C ATOM 1417 CG LEU A 592 -1.212 -4.095 -9.405 1.00 0.00 C ATOM 1418 CD1 LEU A 592 -0.052 -4.807 -10.083 1.00 0.00 C ATOM 1419 CD2 LEU A 592 -0.742 -3.369 -8.173 1.00 0.00 C ATOM 0 H LEU A 592 -0.254 -1.512 -9.417 1.00 0.00 H new ATOM 0 HA LEU A 592 -0.508 -2.842 -11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 592 -2.593 -2.500 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 592 -2.573 -3.724 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 592 -1.931 -4.860 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 592 0.430 -5.477 -9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 592 -0.424 -5.384 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 592 0.671 -4.071 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 592 -0.230 -4.068 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 592 -0.056 -2.572 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 592 -1.599 -2.940 -7.654 1.00 0.00 H new ATOM 1431 N GLN A 593 -2.393 -0.221 -11.207 1.00 0.00 N ATOM 1432 CA GLN A 593 -3.331 0.767 -11.741 1.00 0.00 C ATOM 1433 C GLN A 593 -2.720 1.548 -12.902 1.00 0.00 C ATOM 1434 O GLN A 593 -3.423 1.974 -13.814 1.00 0.00 O ATOM 1435 CB GLN A 593 -3.763 1.736 -10.642 1.00 0.00 C ATOM 1436 CG GLN A 593 -4.812 2.731 -11.098 1.00 0.00 C ATOM 1437 CD GLN A 593 -6.091 2.045 -11.539 1.00 0.00 C ATOM 1438 OE1 GLN A 593 -7.010 1.843 -10.609 1.00 0.00 O flip ATOM 1439 NE2 GLN A 593 -6.260 1.707 -12.709 1.00 0.00 N flip ATOM 0 H GLN A 593 -2.116 -0.057 -10.239 1.00 0.00 H new ATOM 0 HA GLN A 593 -4.202 0.227 -12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 593 -4.154 1.167 -9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 593 -2.889 2.279 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 593 -5.033 3.423 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 593 -4.416 3.324 -11.922 1.00 0.00 H new ATOM 0 HE21 GLN A 593 -5.530 1.878 -13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 593 -7.131 1.255 -12.989 1.00 0.00 H new ATOM 1448 N GLY A 594 -1.415 1.729 -12.867 1.00 0.00 N ATOM 1449 CA GLY A 594 -0.728 2.238 -14.038 1.00 0.00 C ATOM 1450 C GLY A 594 0.095 3.489 -13.789 1.00 0.00 C ATOM 1451 O GLY A 594 0.477 4.165 -14.740 1.00 0.00 O ATOM 0 H GLY A 594 -0.820 1.537 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -0.073 1.459 -14.427 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -1.465 2.451 -14.812 1.00 0.00 H new ATOM 1455 N ASP A 595 0.379 3.804 -12.534 1.00 0.00 N ATOM 1456 CA ASP A 595 1.269 4.920 -12.228 1.00 0.00 C ATOM 1457 C ASP A 595 2.575 4.366 -11.655 1.00 0.00 C ATOM 1458 O ASP A 595 2.843 3.165 -11.772 1.00 0.00 O ATOM 1459 CB ASP A 595 0.595 5.911 -11.265 1.00 0.00 C ATOM 1460 CG ASP A 595 1.285 7.269 -11.227 1.00 0.00 C ATOM 1461 OD1 ASP A 595 0.927 8.147 -12.039 1.00 0.00 O1- ATOM 1462 OD2 ASP A 595 2.184 7.463 -10.386 1.00 0.00 O ATOM 0 H ASP A 595 0.013 3.312 -11.719 1.00 0.00 H new ATOM 0 HA ASP A 595 1.493 5.475 -13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 595 -0.445 6.047 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 595 0.587 5.486 -10.262 1.00 0.00 H new ATOM 1467 N LYS A 596 3.379 5.213 -11.038 1.00 0.00 N ATOM 1468 CA LYS A 596 4.711 4.825 -10.602 1.00 0.00 C ATOM 1469 C LYS A 596 4.926 5.141 -9.125 1.00 0.00 C ATOM 1470 O LYS A 596 4.833 6.291 -8.702 1.00 0.00 O ATOM 1471 CB LYS A 596 5.762 5.550 -11.453 1.00 0.00 C ATOM 1472 CG LYS A 596 5.499 7.043 -11.587 1.00 0.00 C ATOM 1473 CD LYS A 596 6.643 7.770 -12.277 1.00 0.00 C ATOM 1474 CE LYS A 596 6.339 9.253 -12.444 1.00 0.00 C ATOM 1475 NZ LYS A 596 5.985 9.905 -11.154 1.00 0.00 N1+ ATOM 0 H LYS A 596 3.132 6.180 -10.826 1.00 0.00 H new ATOM 0 HA LYS A 596 4.814 3.748 -10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 596 6.746 5.399 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 596 5.788 5.102 -12.446 1.00 0.00 H new ATOM 0 HG2 LYS A 596 4.579 7.199 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 596 5.342 7.473 -10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 596 7.557 7.648 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 596 6.824 7.322 -13.254 1.00 0.00 H new ATOM 0 HE2 LYS A 596 7.206 9.753 -12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 596 5.517 9.376 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 596 5.952 10.936 -11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 596 5.054 9.566 -10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 596 6.701 9.669 -10.438 1.00 0.00 H new ATOM 1489 N LEU A 597 5.205 4.109 -8.348 1.00 0.00 N ATOM 1490 CA LEU A 597 5.568 4.286 -6.955 1.00 0.00 C ATOM 1491 C LEU A 597 7.023 4.704 -6.874 1.00 0.00 C ATOM 1492 O LEU A 597 7.905 3.945 -7.247 1.00 0.00 O ATOM 1493 CB LEU A 597 5.367 2.981 -6.181 1.00 0.00 C ATOM 1494 CG LEU A 597 3.932 2.466 -6.130 1.00 0.00 C ATOM 1495 CD1 LEU A 597 3.871 1.145 -5.386 1.00 0.00 C ATOM 1496 CD2 LEU A 597 3.040 3.482 -5.449 1.00 0.00 C ATOM 0 H LEU A 597 5.187 3.138 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 597 4.933 5.054 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 597 5.996 2.212 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 597 5.720 3.126 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 597 3.582 2.311 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 597 2.841 0.790 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 597 4.494 0.411 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 597 4.235 1.284 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 597 2.018 3.105 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 597 3.395 3.654 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 597 3.064 4.419 -6.006 1.00 0.00 H new ATOM 1508 N GLU A 598 7.279 5.902 -6.396 1.00 0.00 N ATOM 1509 CA GLU A 598 8.648 6.398 -6.343 1.00 0.00 C ATOM 1510 C GLU A 598 9.147 6.451 -4.909 1.00 0.00 C ATOM 1511 O GLU A 598 8.667 7.238 -4.094 1.00 0.00 O ATOM 1512 CB GLU A 598 8.761 7.758 -7.033 1.00 0.00 C ATOM 1513 CG GLU A 598 8.391 7.686 -8.508 1.00 0.00 C ATOM 1514 CD GLU A 598 8.798 8.913 -9.290 1.00 0.00 C ATOM 1515 OE1 GLU A 598 9.938 8.942 -9.801 1.00 0.00 O1- ATOM 1516 OE2 GLU A 598 7.969 9.838 -9.422 1.00 0.00 O ATOM 0 H GLU A 598 6.573 6.547 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 598 9.288 5.703 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 598 8.110 8.474 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 598 9.780 8.131 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 598 8.863 6.809 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 598 7.314 7.548 -8.598 1.00 0.00 H new ATOM 1523 N VAL A 599 10.113 5.591 -4.622 1.00 0.00 N ATOM 1524 CA VAL A 599 10.592 5.365 -3.277 1.00 0.00 C ATOM 1525 C VAL A 599 11.981 5.969 -3.067 1.00 0.00 C ATOM 1526 O VAL A 599 12.873 5.789 -3.898 1.00 0.00 O ATOM 1527 CB VAL A 599 10.640 3.851 -2.976 1.00 0.00 C ATOM 1528 CG1 VAL A 599 10.942 3.599 -1.516 1.00 0.00 C ATOM 1529 CG2 VAL A 599 9.332 3.188 -3.373 1.00 0.00 C ATOM 0 H VAL A 599 10.588 5.027 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 599 9.898 5.855 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 599 11.444 3.413 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 599 10.970 2.525 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 599 11.908 4.036 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 599 10.166 4.053 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 599 9.384 2.121 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 599 8.512 3.635 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 599 9.161 3.331 -4.440 1.00 0.00 H new ATOM 1539 N SER A 600 12.164 6.679 -1.959 1.00 0.00 N ATOM 1540 CA SER A 600 13.439 7.317 -1.672 1.00 0.00 C ATOM 1541 C SER A 600 13.940 6.895 -0.293 1.00 0.00 C ATOM 1542 O SER A 600 13.169 6.397 0.520 1.00 0.00 O ATOM 1543 CB SER A 600 13.280 8.842 -1.746 1.00 0.00 C ATOM 1544 OG SER A 600 14.509 9.512 -1.518 1.00 0.00 O ATOM 0 H SER A 600 11.447 6.826 -1.249 1.00 0.00 H new ATOM 0 HA SER A 600 14.174 7.003 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 600 12.891 9.120 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 600 12.547 9.167 -1.008 1.00 0.00 H new ATOM 0 HG SER A 600 15.240 9.003 -1.926 1.00 0.00 H new ATOM 1550 N LEU A 601 15.231 7.063 -0.046 1.00 0.00 N ATOM 1551 CA LEU A 601 15.794 6.842 1.277 1.00 0.00 C ATOM 1552 C LEU A 601 16.700 8.008 1.661 1.00 0.00 C ATOM 1553 O LEU A 601 17.598 8.383 0.902 1.00 0.00 O ATOM 1554 CB LEU A 601 16.593 5.539 1.317 1.00 0.00 C ATOM 1555 CG LEU A 601 17.183 5.195 2.686 1.00 0.00 C ATOM 1556 CD1 LEU A 601 16.078 4.877 3.676 1.00 0.00 C ATOM 1557 CD2 LEU A 601 18.159 4.033 2.583 1.00 0.00 C ATOM 0 H LEU A 601 15.911 7.353 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 601 14.972 6.770 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 601 15.946 4.722 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 601 17.404 5.603 0.592 1.00 0.00 H new ATOM 0 HG LEU A 601 17.732 6.065 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 601 16.516 4.635 4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 601 15.423 5.742 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 601 15.500 4.026 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 601 18.564 3.809 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 601 17.641 3.156 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 601 18.973 4.300 1.909 1.00 0.00 H new ATOM 1569 N LYS A 602 16.455 8.592 2.824 1.00 0.00 N ATOM 1570 CA LYS A 602 17.301 9.663 3.335 1.00 0.00 C ATOM 1571 C LYS A 602 17.177 9.742 4.850 1.00 0.00 C ATOM 1572 O LYS A 602 16.066 9.777 5.376 1.00 0.00 O ATOM 1573 CB LYS A 602 16.920 11.004 2.701 1.00 0.00 C ATOM 1574 CG LYS A 602 17.851 12.134 3.096 1.00 0.00 C ATOM 1575 CD LYS A 602 17.502 13.428 2.393 1.00 0.00 C ATOM 1576 CE LYS A 602 18.524 14.512 2.699 1.00 0.00 C ATOM 1577 NZ LYS A 602 19.900 14.112 2.291 1.00 0.00 N1+ ATOM 0 H LYS A 602 15.676 8.343 3.434 1.00 0.00 H new ATOM 0 HA LYS A 602 18.336 9.444 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 602 16.924 10.900 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 602 15.902 11.261 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 602 17.803 12.283 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 602 18.878 11.858 2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 602 17.457 13.260 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 602 16.512 13.759 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 602 18.245 15.430 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 602 18.512 14.731 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 20.494 14.960 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 20.308 13.484 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 19.860 13.612 1.380 1.00 0.00 H new ATOM 1591 N ASN A 603 18.319 9.750 5.546 1.00 0.00 N ATOM 1592 CA ASN A 603 18.346 9.758 7.016 1.00 0.00 C ATOM 1593 C ASN A 603 17.670 8.505 7.557 1.00 0.00 C ATOM 1594 O ASN A 603 17.126 8.500 8.662 1.00 0.00 O ATOM 1595 CB ASN A 603 17.667 11.015 7.582 1.00 0.00 C ATOM 1596 CG ASN A 603 18.364 12.300 7.170 1.00 0.00 C ATOM 1597 OD1 ASN A 603 18.035 12.888 6.141 1.00 0.00 O ATOM 1598 ND2 ASN A 603 19.329 12.748 7.965 1.00 0.00 N ATOM 0 H ASN A 603 19.243 9.751 5.113 1.00 0.00 H new ATOM 0 HA ASN A 603 19.388 9.770 7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 603 16.631 11.045 7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 603 17.646 10.952 8.670 1.00 0.00 H new ATOM 0 HD21 ASN A 603 19.825 13.608 7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 603 19.574 12.232 8.810 1.00 0.00 H new ATOM 1605 N ASN A 604 17.726 7.446 6.752 1.00 0.00 N ATOM 1606 CA ASN A 604 17.124 6.151 7.076 1.00 0.00 C ATOM 1607 C ASN A 604 15.598 6.247 7.068 1.00 0.00 C ATOM 1608 O ASN A 604 14.901 5.403 7.630 1.00 0.00 O ATOM 1609 CB ASN A 604 17.625 5.627 8.429 1.00 0.00 C ATOM 1610 CG ASN A 604 17.428 4.126 8.575 1.00 0.00 C ATOM 1611 OD1 ASN A 604 17.476 3.385 7.594 1.00 0.00 O ATOM 1612 ND2 ASN A 604 17.208 3.666 9.798 1.00 0.00 N ATOM 0 H ASN A 604 18.195 7.461 5.846 1.00 0.00 H new ATOM 0 HA ASN A 604 17.430 5.441 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 604 18.683 5.865 8.539 1.00 0.00 H new ATOM 0 HB3 ASN A 604 17.098 6.140 9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 604 17.072 2.667 9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 604 17.175 4.311 10.587 1.00 0.00 H new ATOM 1619 N VAL A 605 15.086 7.291 6.427 1.00 0.00 N ATOM 1620 CA VAL A 605 13.653 7.452 6.233 1.00 0.00 C ATOM 1621 C VAL A 605 13.293 7.151 4.784 1.00 0.00 C ATOM 1622 O VAL A 605 13.881 7.717 3.859 1.00 0.00 O ATOM 1623 CB VAL A 605 13.189 8.884 6.584 1.00 0.00 C ATOM 1624 CG1 VAL A 605 11.679 9.015 6.445 1.00 0.00 C ATOM 1625 CG2 VAL A 605 13.625 9.262 7.989 1.00 0.00 C ATOM 0 H VAL A 605 15.649 8.044 6.030 1.00 0.00 H new ATOM 0 HA VAL A 605 13.147 6.754 6.900 1.00 0.00 H new ATOM 0 HB VAL A 605 13.659 9.571 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 605 11.377 10.032 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 605 11.388 8.794 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 605 11.189 8.313 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 605 13.288 10.274 8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 605 13.189 8.566 8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 605 14.712 9.218 8.057 1.00 0.00 H new ATOM 1635 N VAL A 606 12.342 6.251 4.589 1.00 0.00 N ATOM 1636 CA VAL A 606 11.920 5.862 3.251 1.00 0.00 C ATOM 1637 C VAL A 606 10.813 6.785 2.756 1.00 0.00 C ATOM 1638 O VAL A 606 9.914 7.146 3.511 1.00 0.00 O ATOM 1639 CB VAL A 606 11.432 4.397 3.221 1.00 0.00 C ATOM 1640 CG1 VAL A 606 11.033 3.985 1.818 1.00 0.00 C ATOM 1641 CG2 VAL A 606 12.507 3.464 3.757 1.00 0.00 C ATOM 0 H VAL A 606 11.846 5.775 5.342 1.00 0.00 H new ATOM 0 HA VAL A 606 12.783 5.949 2.591 1.00 0.00 H new ATOM 0 HB VAL A 606 10.553 4.324 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 606 10.693 2.949 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 606 10.227 4.629 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 606 11.891 4.081 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 606 12.144 2.436 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 606 13.403 3.550 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 606 12.745 3.736 4.785 1.00 0.00 H new ATOM 1651 N SER A 607 10.892 7.193 1.496 1.00 0.00 N ATOM 1652 CA SER A 607 9.917 8.110 0.935 1.00 0.00 C ATOM 1653 C SER A 607 9.267 7.566 -0.330 1.00 0.00 C ATOM 1654 O SER A 607 9.853 7.608 -1.397 1.00 0.00 O ATOM 1655 CB SER A 607 10.568 9.466 0.655 1.00 0.00 C ATOM 1656 OG SER A 607 11.338 9.904 1.764 1.00 0.00 O ATOM 0 H SER A 607 11.622 6.902 0.846 1.00 0.00 H new ATOM 0 HA SER A 607 9.126 8.231 1.675 1.00 0.00 H new ATOM 0 HB2 SER A 607 11.205 9.392 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 607 9.797 10.203 0.430 1.00 0.00 H new ATOM 0 HG SER A 607 11.744 10.772 1.558 1.00 0.00 H new ATOM 1662 N VAL A 608 8.039 7.096 -0.210 1.00 0.00 N ATOM 1663 CA VAL A 608 7.318 6.566 -1.351 1.00 0.00 C ATOM 1664 C VAL A 608 6.196 7.515 -1.736 1.00 0.00 C ATOM 1665 O VAL A 608 5.303 7.794 -0.938 1.00 0.00 O ATOM 1666 CB VAL A 608 6.751 5.155 -1.071 1.00 0.00 C ATOM 1667 CG1 VAL A 608 5.856 5.152 0.163 1.00 0.00 C ATOM 1668 CG2 VAL A 608 5.996 4.632 -2.285 1.00 0.00 C ATOM 0 H VAL A 608 7.520 7.071 0.668 1.00 0.00 H new ATOM 0 HA VAL A 608 8.022 6.476 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 608 7.591 4.490 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 608 5.473 4.146 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 608 6.432 5.472 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 608 5.022 5.836 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 608 5.604 3.638 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 608 5.171 5.305 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 608 6.672 4.578 -3.138 1.00 0.00 H new ATOM 1678 N ASN A 609 6.275 8.045 -2.952 1.00 0.00 N ATOM 1679 CA ASN A 609 5.269 8.979 -3.453 1.00 0.00 C ATOM 1680 C ASN A 609 5.275 10.240 -2.591 1.00 0.00 C ATOM 1681 O ASN A 609 4.251 10.907 -2.424 1.00 0.00 O ATOM 1682 CB ASN A 609 3.881 8.320 -3.440 1.00 0.00 C ATOM 1683 CG ASN A 609 3.898 6.909 -3.982 1.00 0.00 C ATOM 1684 OD1 ASN A 609 3.062 6.062 -3.408 1.00 0.00 O flip ATOM 1685 ND2 ASN A 609 4.676 6.577 -4.879 1.00 0.00 N flip ATOM 0 H ASN A 609 7.027 7.844 -3.611 1.00 0.00 H new ATOM 0 HA ASN A 609 5.506 9.251 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 609 3.499 8.308 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 609 3.192 8.923 -4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 609 5.303 7.268 -5.292 1.00 0.00 H new ATOM 0 HD22 ASN A 609 4.693 5.612 -5.208 1.00 0.00 H new ATOM 1692 N LYS A 610 6.467 10.534 -2.050 1.00 0.00 N ATOM 1693 CA LYS A 610 6.708 11.668 -1.152 1.00 0.00 C ATOM 1694 C LYS A 610 6.191 11.378 0.264 1.00 0.00 C ATOM 1695 O LYS A 610 6.382 12.173 1.190 1.00 0.00 O ATOM 1696 CB LYS A 610 6.110 12.962 -1.719 1.00 0.00 C ATOM 1697 CG LYS A 610 6.379 14.185 -0.863 1.00 0.00 C ATOM 1698 CD LYS A 610 5.945 15.464 -1.551 1.00 0.00 C ATOM 1699 CE LYS A 610 6.079 16.658 -0.623 1.00 0.00 C ATOM 1700 NZ LYS A 610 7.426 16.730 0.005 1.00 0.00 N1+ ATOM 0 H LYS A 610 7.304 9.979 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 610 7.786 11.812 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 610 6.515 13.132 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 610 5.033 12.836 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 610 5.852 14.087 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 610 7.443 14.240 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 610 6.550 15.624 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 610 4.910 15.370 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 610 5.891 17.574 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 610 5.319 16.598 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 7.540 17.649 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 7.525 15.966 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 8.157 16.626 -0.728 1.00 0.00 H new ATOM 1714 N GLU A 611 5.584 10.216 0.444 1.00 0.00 N ATOM 1715 CA GLU A 611 5.080 9.812 1.748 1.00 0.00 C ATOM 1716 C GLU A 611 6.122 9.003 2.505 1.00 0.00 C ATOM 1717 O GLU A 611 6.703 8.057 1.968 1.00 0.00 O ATOM 1718 CB GLU A 611 3.790 9.002 1.609 1.00 0.00 C ATOM 1719 CG GLU A 611 2.600 9.846 1.216 1.00 0.00 C ATOM 1720 CD GLU A 611 2.363 10.983 2.185 1.00 0.00 C ATOM 1721 OE1 GLU A 611 2.635 10.817 3.395 1.00 0.00 O1- ATOM 1722 OE2 GLU A 611 1.902 12.049 1.745 1.00 0.00 O ATOM 0 H GLU A 611 5.428 9.534 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 611 4.863 10.718 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 611 3.937 8.221 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 611 3.578 8.503 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 611 2.757 10.250 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 611 1.710 9.218 1.170 1.00 0.00 H new ATOM 1729 N PRO A 612 6.387 9.385 3.757 1.00 0.00 N ATOM 1730 CA PRO A 612 7.354 8.703 4.617 1.00 0.00 C ATOM 1731 C PRO A 612 6.870 7.324 5.063 1.00 0.00 C ATOM 1732 O PRO A 612 5.772 7.178 5.605 1.00 0.00 O ATOM 1733 CB PRO A 612 7.496 9.636 5.830 1.00 0.00 C ATOM 1734 CG PRO A 612 6.823 10.909 5.434 1.00 0.00 C ATOM 1735 CD PRO A 612 5.775 10.530 4.435 1.00 0.00 C ATOM 0 HA PRO A 612 8.293 8.522 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 612 7.029 9.204 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 612 8.545 9.806 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 612 6.377 11.400 6.299 1.00 0.00 H new ATOM 0 HG3 PRO A 612 7.538 11.610 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 612 4.834 10.262 4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 612 5.560 11.344 3.743 1.00 0.00 H new ATOM 1743 N VAL A 613 7.698 6.318 4.826 1.00 0.00 N ATOM 1744 CA VAL A 613 7.401 4.966 5.267 1.00 0.00 C ATOM 1745 C VAL A 613 7.890 4.768 6.690 1.00 0.00 C ATOM 1746 O VAL A 613 8.996 5.181 7.043 1.00 0.00 O ATOM 1747 CB VAL A 613 8.057 3.905 4.359 1.00 0.00 C ATOM 1748 CG1 VAL A 613 7.620 2.498 4.744 1.00 0.00 C ATOM 1749 CG2 VAL A 613 7.737 4.186 2.901 1.00 0.00 C ATOM 0 H VAL A 613 8.583 6.414 4.329 1.00 0.00 H new ATOM 0 HA VAL A 613 6.320 4.838 5.215 1.00 0.00 H new ATOM 0 HB VAL A 613 9.136 3.965 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 613 8.100 1.775 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 613 7.909 2.297 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 613 6.538 2.414 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 613 8.207 3.429 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 613 6.657 4.160 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 613 8.117 5.171 2.628 1.00 0.00 H new ATOM 1759 N ALA A 614 7.064 4.132 7.493 1.00 0.00 N ATOM 1760 CA ALA A 614 7.392 3.888 8.883 1.00 0.00 C ATOM 1761 C ALA A 614 8.262 2.649 9.005 1.00 0.00 C ATOM 1762 O ALA A 614 9.373 2.705 9.533 1.00 0.00 O ATOM 1763 CB ALA A 614 6.124 3.741 9.710 1.00 0.00 C ATOM 0 H ALA A 614 6.154 3.772 7.205 1.00 0.00 H new ATOM 0 HA ALA A 614 7.951 4.741 9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 614 6.388 3.558 10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 614 5.536 4.656 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.538 2.903 9.332 1.00 0.00 H new ATOM 1769 N GLU A 615 7.755 1.532 8.501 1.00 0.00 N ATOM 1770 CA GLU A 615 8.505 0.284 8.522 1.00 0.00 C ATOM 1771 C GLU A 615 8.453 -0.421 7.170 1.00 0.00 C ATOM 1772 O GLU A 615 7.441 -1.032 6.816 1.00 0.00 O ATOM 1773 CB GLU A 615 7.982 -0.647 9.618 1.00 0.00 C ATOM 1774 CG GLU A 615 8.175 -0.099 11.021 1.00 0.00 C ATOM 1775 CD GLU A 615 7.945 -1.140 12.091 1.00 0.00 C ATOM 1776 OE1 GLU A 615 8.854 -1.970 12.311 1.00 0.00 O ATOM 1777 OE2 GLU A 615 6.872 -1.125 12.730 1.00 0.00 O1- ATOM 0 H GLU A 615 6.831 1.465 8.074 1.00 0.00 H new ATOM 0 HA GLU A 615 9.544 0.533 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.921 -0.831 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 615 8.489 -1.609 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 615 9.186 0.296 11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.491 0.735 11.178 1.00 0.00 H new ATOM 1784 N PRO A 616 9.525 -0.293 6.372 1.00 0.00 N ATOM 1785 CA PRO A 616 9.691 -1.062 5.134 1.00 0.00 C ATOM 1786 C PRO A 616 10.081 -2.521 5.394 1.00 0.00 C ATOM 1787 O PRO A 616 10.475 -2.878 6.505 1.00 0.00 O ATOM 1788 CB PRO A 616 10.840 -0.326 4.436 1.00 0.00 C ATOM 1789 CG PRO A 616 11.648 0.217 5.557 1.00 0.00 C ATOM 1790 CD PRO A 616 10.643 0.654 6.580 1.00 0.00 C ATOM 0 HA PRO A 616 8.768 -1.116 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 616 11.426 -1.000 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 616 10.470 0.469 3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 616 12.321 -0.539 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 616 12.267 1.052 5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 616 11.043 0.590 7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 616 10.332 1.687 6.425 1.00 0.00 H new ATOM 1798 N ASP A 617 9.932 -3.351 4.362 1.00 0.00 N ATOM 1799 CA ASP A 617 10.466 -4.720 4.345 1.00 0.00 C ATOM 1800 C ASP A 617 9.720 -5.680 5.266 1.00 0.00 C ATOM 1801 O ASP A 617 10.304 -6.637 5.779 1.00 0.00 O ATOM 1802 CB ASP A 617 11.960 -4.734 4.675 1.00 0.00 C ATOM 1803 CG ASP A 617 12.821 -4.494 3.449 1.00 0.00 C ATOM 1804 OD1 ASP A 617 12.407 -3.708 2.571 1.00 0.00 O ATOM 1805 OD2 ASP A 617 13.920 -5.077 3.365 1.00 0.00 O1- ATOM 0 H ASP A 617 9.436 -3.095 3.508 1.00 0.00 H new ATOM 0 HA ASP A 617 10.314 -5.079 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 617 12.172 -3.969 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 617 12.223 -5.694 5.119 1.00 0.00 H new ATOM 1810 N ILE A 618 8.429 -5.458 5.449 1.00 0.00 N ATOM 1811 CA ILE A 618 7.588 -6.444 6.104 1.00 0.00 C ATOM 1812 C ILE A 618 7.115 -7.436 5.055 1.00 0.00 C ATOM 1813 O ILE A 618 6.100 -7.225 4.399 1.00 0.00 O ATOM 1814 CB ILE A 618 6.370 -5.805 6.795 1.00 0.00 C ATOM 1815 CG1 ILE A 618 6.821 -4.685 7.729 1.00 0.00 C ATOM 1816 CG2 ILE A 618 5.581 -6.860 7.560 1.00 0.00 C ATOM 1817 CD1 ILE A 618 5.676 -3.977 8.409 1.00 0.00 C ATOM 0 H ILE A 618 7.944 -4.610 5.155 1.00 0.00 H new ATOM 0 HA ILE A 618 8.174 -6.938 6.879 1.00 0.00 H new ATOM 0 HB ILE A 618 5.719 -5.377 6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.485 -5.099 8.488 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.402 -3.959 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 618 4.723 -6.393 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 618 5.235 -7.628 6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.220 -7.315 8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 618 6.067 -3.193 9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 618 5.024 -3.534 7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.109 -4.692 9.005 1.00 0.00 H new ATOM 1829 N MET A 619 7.882 -8.492 4.863 1.00 0.00 N ATOM 1830 CA MET A 619 7.663 -9.387 3.738 1.00 0.00 C ATOM 1831 C MET A 619 6.526 -10.371 3.977 1.00 0.00 C ATOM 1832 O MET A 619 6.275 -10.797 5.103 1.00 0.00 O ATOM 1833 CB MET A 619 8.940 -10.155 3.411 1.00 0.00 C ATOM 1834 CG MET A 619 10.105 -9.258 3.037 1.00 0.00 C ATOM 1835 SD MET A 619 11.490 -10.177 2.343 1.00 0.00 S ATOM 1836 CE MET A 619 10.721 -10.867 0.878 1.00 0.00 C ATOM 0 H MET A 619 8.661 -8.753 5.468 1.00 0.00 H new ATOM 0 HA MET A 619 7.379 -8.758 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 619 9.220 -10.762 4.272 1.00 0.00 H new ATOM 0 HB3 MET A 619 8.741 -10.842 2.588 1.00 0.00 H new ATOM 0 HG2 MET A 619 9.769 -8.514 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 619 10.440 -8.716 3.921 1.00 0.00 H new ATOM 0 HE1 MET A 619 11.483 -11.057 0.122 1.00 0.00 H new ATOM 0 HE2 MET A 619 10.223 -11.802 1.135 1.00 0.00 H new ATOM 0 HE3 MET A 619 9.988 -10.162 0.485 1.00 0.00 H new ATOM 1846 N ALA A 620 5.860 -10.722 2.888 1.00 0.00 N ATOM 1847 CA ALA A 620 4.811 -11.723 2.895 1.00 0.00 C ATOM 1848 C ALA A 620 5.228 -12.869 1.989 1.00 0.00 C ATOM 1849 O ALA A 620 6.332 -12.855 1.451 1.00 0.00 O ATOM 1850 CB ALA A 620 3.501 -11.115 2.417 1.00 0.00 C ATOM 0 H ALA A 620 6.035 -10.316 1.969 1.00 0.00 H new ATOM 0 HA ALA A 620 4.660 -12.095 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 620 2.721 -11.877 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 620 3.217 -10.297 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 620 3.625 -10.736 1.403 1.00 0.00 H new ATOM 1856 N THR A 621 4.363 -13.848 1.789 1.00 0.00 N ATOM 1857 CA THR A 621 4.727 -14.968 0.941 1.00 0.00 C ATOM 1858 C THR A 621 4.494 -14.651 -0.540 1.00 0.00 C ATOM 1859 O THR A 621 4.902 -15.416 -1.412 1.00 0.00 O ATOM 1860 CB THR A 621 3.987 -16.270 1.336 1.00 0.00 C ATOM 1861 OG1 THR A 621 4.620 -17.403 0.728 1.00 0.00 O ATOM 1862 CG2 THR A 621 2.532 -16.226 0.906 1.00 0.00 C ATOM 0 H THR A 621 3.427 -13.891 2.191 1.00 0.00 H new ATOM 0 HA THR A 621 5.793 -15.135 1.095 1.00 0.00 H new ATOM 0 HB THR A 621 4.031 -16.359 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 621 4.873 -17.182 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 621 2.038 -17.153 1.197 1.00 0.00 H new ATOM 0 HG22 THR A 621 2.035 -15.384 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 621 2.476 -16.109 -0.176 1.00 0.00 H new ATOM 1870 N ASN A 622 3.835 -13.529 -0.820 1.00 0.00 N ATOM 1871 CA ASN A 622 3.578 -13.120 -2.200 1.00 0.00 C ATOM 1872 C ASN A 622 4.256 -11.786 -2.525 1.00 0.00 C ATOM 1873 O ASN A 622 4.031 -11.215 -3.590 1.00 0.00 O ATOM 1874 CB ASN A 622 2.071 -13.010 -2.461 1.00 0.00 C ATOM 1875 CG ASN A 622 1.415 -11.887 -1.680 1.00 0.00 C ATOM 1876 OD1 ASN A 622 1.821 -11.567 -0.565 1.00 0.00 O ATOM 1877 ND2 ASN A 622 0.382 -11.288 -2.252 1.00 0.00 N ATOM 0 H ASN A 622 3.471 -12.889 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 622 3.999 -13.887 -2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 622 1.903 -12.851 -3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 622 1.593 -13.954 -2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 622 -0.104 -10.535 -1.766 1.00 0.00 H new ATOM 0 HD22 ASN A 622 0.072 -11.580 -3.179 1.00 0.00 H new ATOM 1884 N GLY A 623 5.080 -11.285 -1.612 1.00 0.00 N ATOM 1885 CA GLY A 623 5.750 -10.023 -1.855 1.00 0.00 C ATOM 1886 C GLY A 623 6.232 -9.355 -0.585 1.00 0.00 C ATOM 1887 O GLY A 623 6.657 -10.028 0.352 1.00 0.00 O ATOM 0 H GLY A 623 5.294 -11.725 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 623 6.600 -10.191 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 623 5.069 -9.351 -2.377 1.00 0.00 H new ATOM 1891 N VAL A 624 6.155 -8.034 -0.548 1.00 0.00 N ATOM 1892 CA VAL A 624 6.651 -7.270 0.587 1.00 0.00 C ATOM 1893 C VAL A 624 5.691 -6.123 0.926 1.00 0.00 C ATOM 1894 O VAL A 624 5.024 -5.582 0.043 1.00 0.00 O ATOM 1895 CB VAL A 624 8.064 -6.704 0.298 1.00 0.00 C ATOM 1896 CG1 VAL A 624 8.029 -5.697 -0.840 1.00 0.00 C ATOM 1897 CG2 VAL A 624 8.675 -6.085 1.546 1.00 0.00 C ATOM 0 H VAL A 624 5.752 -7.466 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 624 6.714 -7.944 1.441 1.00 0.00 H new ATOM 0 HB VAL A 624 8.696 -7.538 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 624 9.034 -5.317 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 624 7.657 -6.181 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 624 7.371 -4.870 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 624 9.666 -5.697 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 624 8.040 -5.271 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 624 8.757 -6.843 2.325 1.00 0.00 H new ATOM 1907 N VAL A 625 5.603 -5.781 2.204 1.00 0.00 N ATOM 1908 CA VAL A 625 4.764 -4.675 2.648 1.00 0.00 C ATOM 1909 C VAL A 625 5.600 -3.571 3.292 1.00 0.00 C ATOM 1910 O VAL A 625 6.572 -3.835 4.002 1.00 0.00 O ATOM 1911 CB VAL A 625 3.679 -5.146 3.649 1.00 0.00 C ATOM 1912 CG1 VAL A 625 2.906 -3.973 4.236 1.00 0.00 C ATOM 1913 CG2 VAL A 625 2.718 -6.095 2.966 1.00 0.00 C ATOM 0 H VAL A 625 6.104 -6.256 2.955 1.00 0.00 H new ATOM 0 HA VAL A 625 4.272 -4.279 1.760 1.00 0.00 H new ATOM 0 HB VAL A 625 4.187 -5.659 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 625 2.155 -4.345 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 625 3.594 -3.311 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 625 2.415 -3.422 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 625 1.960 -6.420 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 625 2.237 -5.587 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 625 3.264 -6.963 2.597 1.00 0.00 H new ATOM 1923 N HIS A 626 5.214 -2.334 3.027 1.00 0.00 N ATOM 1924 CA HIS A 626 5.850 -1.180 3.644 1.00 0.00 C ATOM 1925 C HIS A 626 4.779 -0.312 4.294 1.00 0.00 C ATOM 1926 O HIS A 626 3.810 0.081 3.642 1.00 0.00 O ATOM 1927 CB HIS A 626 6.638 -0.359 2.616 1.00 0.00 C ATOM 1928 CG HIS A 626 7.613 -1.156 1.787 1.00 0.00 C ATOM 1929 ND1 HIS A 626 8.964 -1.263 2.055 1.00 0.00 N ATOM 1930 CD2 HIS A 626 7.400 -1.886 0.664 1.00 0.00 C ATOM 1931 CE1 HIS A 626 9.516 -2.037 1.107 1.00 0.00 C ATOM 1932 NE2 HIS A 626 8.607 -2.439 0.241 1.00 0.00 N ATOM 0 H HIS A 626 4.457 -2.101 2.384 1.00 0.00 H new ATOM 0 HA HIS A 626 6.556 -1.531 4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 626 5.932 0.135 1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 626 7.184 0.426 3.139 1.00 0.00 H new ATOM 0 HD2 HIS A 626 6.446 -2.018 0.175 1.00 0.00 H new ATOM 0 HE1 HIS A 626 10.564 -2.295 1.060 1.00 0.00 H new ATOM 0 HE2 HIS A 626 8.757 -3.034 -0.574 1.00 0.00 H new ATOM 1940 N VAL A 627 4.947 -0.033 5.576 1.00 0.00 N ATOM 1941 CA VAL A 627 3.950 0.715 6.341 1.00 0.00 C ATOM 1942 C VAL A 627 4.017 2.219 6.067 1.00 0.00 C ATOM 1943 O VAL A 627 5.029 2.854 6.347 1.00 0.00 O ATOM 1944 CB VAL A 627 4.133 0.487 7.859 1.00 0.00 C ATOM 1945 CG1 VAL A 627 3.138 1.314 8.657 1.00 0.00 C ATOM 1946 CG2 VAL A 627 3.991 -0.985 8.202 1.00 0.00 C ATOM 0 H VAL A 627 5.766 -0.313 6.115 1.00 0.00 H new ATOM 0 HA VAL A 627 2.978 0.342 6.019 1.00 0.00 H new ATOM 0 HB VAL A 627 5.139 0.810 8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 627 3.288 1.135 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 627 3.289 2.372 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 627 2.123 1.028 8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 627 4.123 -1.123 9.275 1.00 0.00 H new ATOM 0 HG22 VAL A 627 3.000 -1.332 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 627 4.748 -1.558 7.666 1.00 0.00 H new ATOM 1956 N ILE A 628 2.933 2.781 5.543 1.00 0.00 N ATOM 1957 CA ILE A 628 2.826 4.229 5.380 1.00 0.00 C ATOM 1958 C ILE A 628 1.782 4.798 6.318 1.00 0.00 C ATOM 1959 O ILE A 628 0.857 4.100 6.734 1.00 0.00 O ATOM 1960 CB ILE A 628 2.470 4.670 3.947 1.00 0.00 C ATOM 1961 CG1 ILE A 628 1.793 3.546 3.164 1.00 0.00 C ATOM 1962 CG2 ILE A 628 3.708 5.171 3.232 1.00 0.00 C ATOM 1963 CD1 ILE A 628 1.255 3.988 1.821 1.00 0.00 C ATOM 0 H ILE A 628 2.117 2.259 5.224 1.00 0.00 H new ATOM 0 HA ILE A 628 3.818 4.615 5.613 1.00 0.00 H new ATOM 0 HB ILE A 628 1.753 5.489 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 628 2.508 2.737 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 628 0.975 3.141 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 628 3.444 5.480 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 628 4.123 6.021 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 628 4.449 4.373 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 628 0.788 3.141 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 628 0.516 4.776 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 628 2.073 4.366 1.208 1.00 0.00 H new ATOM 1975 N THR A 629 1.926 6.069 6.636 1.00 0.00 N ATOM 1976 CA THR A 629 1.027 6.724 7.564 1.00 0.00 C ATOM 1977 C THR A 629 0.012 7.599 6.834 1.00 0.00 C ATOM 1978 O THR A 629 -0.791 8.284 7.471 1.00 0.00 O ATOM 1979 CB THR A 629 1.822 7.582 8.566 1.00 0.00 C ATOM 1980 OG1 THR A 629 2.775 8.395 7.861 1.00 0.00 O ATOM 1981 CG2 THR A 629 2.544 6.697 9.577 1.00 0.00 C ATOM 0 H THR A 629 2.661 6.671 6.263 1.00 0.00 H new ATOM 0 HA THR A 629 0.486 5.946 8.102 1.00 0.00 H new ATOM 0 HB THR A 629 1.125 8.225 9.104 1.00 0.00 H new ATOM 0 HG1 THR A 629 3.277 8.940 8.502 1.00 0.00 H new ATOM 0 HG21 THR A 629 3.100 7.322 10.276 1.00 0.00 H new ATOM 0 HG22 THR A 629 1.814 6.100 10.125 1.00 0.00 H new ATOM 0 HG23 THR A 629 3.234 6.035 9.054 1.00 0.00 H new ATOM 1989 N ASN A 630 0.036 7.573 5.499 1.00 0.00 N ATOM 1990 CA ASN A 630 -0.906 8.375 4.714 1.00 0.00 C ATOM 1991 C ASN A 630 -1.463 7.579 3.536 1.00 0.00 C ATOM 1992 O ASN A 630 -0.922 6.538 3.162 1.00 0.00 O ATOM 1993 CB ASN A 630 -0.238 9.661 4.214 1.00 0.00 C ATOM 1994 CG ASN A 630 -1.229 10.648 3.614 1.00 0.00 C ATOM 1995 OD1 ASN A 630 -2.400 10.677 3.993 1.00 0.00 O ATOM 1996 ND2 ASN A 630 -0.763 11.474 2.685 1.00 0.00 N ATOM 0 H ASN A 630 0.686 7.015 4.946 1.00 0.00 H new ATOM 0 HA ASN A 630 -1.736 8.642 5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 630 0.286 10.138 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 630 0.513 9.407 3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -1.382 12.164 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 630 0.214 11.419 2.397 1.00 0.00 H new ATOM 2003 N VAL A 631 -2.559 8.070 2.972 1.00 0.00 N ATOM 2004 CA VAL A 631 -3.204 7.440 1.837 1.00 0.00 C ATOM 2005 C VAL A 631 -2.636 8.011 0.536 1.00 0.00 C ATOM 2006 O VAL A 631 -2.338 9.200 0.456 1.00 0.00 O ATOM 2007 CB VAL A 631 -4.730 7.665 1.890 1.00 0.00 C ATOM 2008 CG1 VAL A 631 -5.387 7.226 0.596 1.00 0.00 C ATOM 2009 CG2 VAL A 631 -5.337 6.924 3.074 1.00 0.00 C ATOM 0 H VAL A 631 -3.024 8.919 3.293 1.00 0.00 H new ATOM 0 HA VAL A 631 -3.010 6.368 1.874 1.00 0.00 H new ATOM 0 HB VAL A 631 -4.912 8.732 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 631 -6.462 7.395 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 631 -4.977 7.802 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 631 -5.195 6.166 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 631 -6.413 7.094 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 631 -5.140 5.857 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 631 -4.893 7.291 3.999 1.00 0.00 H new ATOM 2019 N LEU A 632 -2.486 7.163 -0.474 1.00 0.00 N ATOM 2020 CA LEU A 632 -1.883 7.548 -1.714 1.00 0.00 C ATOM 2021 C LEU A 632 -2.949 7.942 -2.724 1.00 0.00 C ATOM 2022 O LEU A 632 -4.137 7.698 -2.510 1.00 0.00 O ATOM 2023 CB LEU A 632 -1.079 6.364 -2.220 1.00 0.00 C ATOM 2024 CG LEU A 632 -0.026 5.837 -1.238 1.00 0.00 C ATOM 2025 CD1 LEU A 632 0.759 4.685 -1.855 1.00 0.00 C ATOM 2026 CD2 LEU A 632 0.909 6.960 -0.805 1.00 0.00 C ATOM 0 H LEU A 632 -2.785 6.188 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 632 -1.234 8.412 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -1.766 5.554 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -0.581 6.650 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.539 5.459 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 632 1.501 4.326 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 632 0.076 3.874 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 632 1.262 5.030 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 632 1.650 6.568 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 632 1.414 7.370 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 632 0.332 7.746 -0.317 1.00 0.00 H new