USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -75:sc= -1.52! USER MOD Set 1.2: A 605 GLN :FLIP amide:sc= -1.49 F(o=-3.9!,f=-3) USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 530 GLN :FLIP amide:sc= -0.0102 F(o=-1.3,f=-0.01) USER MOD Single : A 531 HIS :FLIP no HE2:sc= 0.106 F(o=-0.63,f=0.11) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -168:sc=-0.00509 (180deg=-0.177) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 550 THR OG1 : rot 105:sc= 0.224 USER MOD Single : A 552 TYR OH : rot 120:sc= 0.0764 USER MOD Single : A 553 TYR OH : rot -128:sc= 0.119 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.165 USER MOD Single : A 558 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 MET CE :methyl 154:sc= -0.405 (180deg=-1.34!) USER MOD Single : A 561 LYS NZ :NH3+ -173:sc= 1.07 (180deg=1.05) USER MOD Single : A 562 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 568 LYS NZ :NH3+ 172:sc= 1.3 (180deg=0.957) USER MOD Single : A 569 TYR OH : rot 150:sc= 0 USER MOD Single : A 571 SER OG : rot 100:sc= 1.23 USER MOD Single : A 573 ASN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 576 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.28) USER MOD Single : A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-9.3!) USER MOD Single : A 584 SER OG : rot -70:sc= -0.548 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 170:sc= -0.139 (180deg=-0.422) USER MOD Single : A 608 GLN : amide:sc= 0.3 K(o=0.3,f=-0.29) USER MOD Single : A 610 SER OG : rot 77:sc= 1.05 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.15) USER MOD Single : A 622 THR OG1 : rot 70:sc= 0.924 USER MOD Single : A 624 SER OG : rot 64:sc= 0.558 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 -5.336 14.015 -7.750 1.00 0.00 N ATOM 2 CA ARG A 516 -6.444 13.074 -7.471 1.00 0.00 C ATOM 3 C ARG A 516 -7.419 13.705 -6.486 1.00 0.00 C ATOM 4 O ARG A 516 -7.003 14.309 -5.496 1.00 0.00 O ATOM 5 CB ARG A 516 -5.897 11.760 -6.905 1.00 0.00 C ATOM 6 CG ARG A 516 -4.863 11.099 -7.803 1.00 0.00 C ATOM 7 CD ARG A 516 -4.304 9.834 -7.176 1.00 0.00 C ATOM 8 NE ARG A 516 -3.132 9.342 -7.900 1.00 0.00 N ATOM 9 CZ ARG A 516 -2.622 8.119 -7.765 1.00 0.00 C ATOM 10 NH1 ARG A 516 -3.216 7.228 -6.981 1.00 0.00 N ATOM 11 NH2 ARG A 516 -1.526 7.782 -8.432 1.00 0.00 N ATOM 0 HA ARG A 516 -6.968 12.858 -8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 516 -5.451 11.951 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 516 -6.725 11.069 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 516 -5.316 10.859 -8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 516 -4.050 11.798 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 516 -4.034 10.031 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 516 -5.074 9.063 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 516 -2.674 9.979 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 516 -4.067 7.478 -6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 516 -2.821 6.293 -6.881 1.00 0.00 H new ATOM 0 HH21 ARG A 516 -1.075 8.459 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 516 -1.134 6.846 -8.330 1.00 0.00 H new ATOM 27 N ARG A 517 -8.711 13.566 -6.754 1.00 0.00 N ATOM 28 CA ARG A 517 -9.729 14.212 -5.934 1.00 0.00 C ATOM 29 C ARG A 517 -9.926 13.472 -4.620 1.00 0.00 C ATOM 30 O ARG A 517 -9.969 12.240 -4.596 1.00 0.00 O ATOM 31 CB ARG A 517 -11.066 14.288 -6.671 1.00 0.00 C ATOM 32 CG ARG A 517 -10.985 14.921 -8.043 1.00 0.00 C ATOM 33 CD ARG A 517 -12.372 15.148 -8.606 1.00 0.00 C ATOM 34 NE ARG A 517 -13.163 13.919 -8.664 1.00 0.00 N ATOM 35 CZ ARG A 517 -14.496 13.896 -8.708 1.00 0.00 C ATOM 36 NH1 ARG A 517 -15.184 15.033 -8.706 1.00 0.00 N ATOM 37 NH2 ARG A 517 -15.139 12.737 -8.752 1.00 0.00 N ATOM 0 H ARG A 517 -9.078 13.014 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 517 -9.377 15.223 -5.727 1.00 0.00 H new ATOM 0 HB2 ARG A 517 -11.470 13.281 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 517 -11.771 14.855 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 517 -10.452 15.870 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 517 -10.415 14.278 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 517 -12.893 15.883 -7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 517 -12.289 15.570 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 517 -12.667 13.028 -8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 517 -14.693 15.926 -8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 517 -16.203 15.012 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 517 -14.614 11.862 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 517 -16.158 12.720 -8.786 1.00 0.00 H new ATOM 51 N ARG A 518 -10.044 14.245 -3.542 1.00 0.00 N ATOM 52 CA ARG A 518 -10.320 13.726 -2.204 1.00 0.00 C ATOM 53 C ARG A 518 -9.142 12.919 -1.664 1.00 0.00 C ATOM 54 O ARG A 518 -8.760 11.883 -2.211 1.00 0.00 O ATOM 55 CB ARG A 518 -11.623 12.906 -2.206 1.00 0.00 C ATOM 56 CG ARG A 518 -12.090 12.447 -0.829 1.00 0.00 C ATOM 57 CD ARG A 518 -11.380 11.177 -0.384 1.00 0.00 C ATOM 58 NE ARG A 518 -11.714 10.805 0.987 1.00 0.00 N ATOM 59 CZ ARG A 518 -11.284 9.692 1.577 1.00 0.00 C ATOM 60 NH1 ARG A 518 -10.511 8.840 0.910 1.00 0.00 N ATOM 61 NH2 ARG A 518 -11.629 9.428 2.831 1.00 0.00 N ATOM 0 H ARG A 518 -9.950 15.260 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 518 -10.457 14.571 -1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -12.412 13.505 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -11.483 12.029 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -11.909 13.238 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -13.166 12.273 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -11.647 10.360 -1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -10.302 11.318 -0.467 1.00 0.00 H new ATOM 0 HE ARG A 518 -12.311 11.434 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -10.247 9.039 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -10.182 7.987 1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -12.224 10.078 3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -11.299 8.575 3.282 1.00 0.00 H new ATOM 75 N ILE A 519 -8.577 13.401 -0.573 1.00 0.00 N ATOM 76 CA ILE A 519 -7.436 12.752 0.045 1.00 0.00 C ATOM 77 C ILE A 519 -7.899 11.848 1.180 1.00 0.00 C ATOM 78 O ILE A 519 -8.824 12.187 1.918 1.00 0.00 O ATOM 79 CB ILE A 519 -6.438 13.786 0.603 1.00 0.00 C ATOM 80 CG1 ILE A 519 -6.386 15.015 -0.315 1.00 0.00 C ATOM 81 CG2 ILE A 519 -5.054 13.163 0.754 1.00 0.00 C ATOM 82 CD1 ILE A 519 -5.360 16.048 0.097 1.00 0.00 C ATOM 0 H ILE A 519 -8.892 14.245 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 519 -6.937 12.161 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 519 -6.775 14.105 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 519 -6.169 14.687 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 519 -7.370 15.483 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 519 -4.362 13.906 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 519 -5.108 12.317 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 519 -4.702 12.819 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 519 -5.385 16.885 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 519 -5.587 16.406 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 519 -4.367 15.598 0.088 1.00 0.00 H new ATOM 94 N ALA A 520 -7.264 10.699 1.307 1.00 0.00 N ATOM 95 CA ALA A 520 -7.610 9.749 2.349 1.00 0.00 C ATOM 96 C ALA A 520 -6.736 9.957 3.575 1.00 0.00 C ATOM 97 O ALA A 520 -5.599 10.416 3.469 1.00 0.00 O ATOM 98 CB ALA A 520 -7.478 8.324 1.838 1.00 0.00 C ATOM 0 H ALA A 520 -6.502 10.399 0.699 1.00 0.00 H new ATOM 0 HA ALA A 520 -8.648 9.918 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -7.741 7.626 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -8.148 8.178 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -6.450 8.144 1.523 1.00 0.00 H new ATOM 104 N THR A 521 -7.277 9.628 4.732 1.00 0.00 N ATOM 105 CA THR A 521 -6.551 9.725 5.979 1.00 0.00 C ATOM 106 C THR A 521 -6.038 8.359 6.404 1.00 0.00 C ATOM 107 O THR A 521 -6.677 7.344 6.131 1.00 0.00 O ATOM 108 CB THR A 521 -7.458 10.299 7.076 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.812 9.915 6.822 1.00 0.00 O ATOM 110 CG2 THR A 521 -7.352 11.813 7.135 1.00 0.00 C ATOM 0 H THR A 521 -8.233 9.286 4.832 1.00 0.00 H new ATOM 0 HA THR A 521 -5.701 10.391 5.830 1.00 0.00 H new ATOM 0 HB THR A 521 -7.136 9.900 8.038 1.00 0.00 H new ATOM 0 HG1 THR A 521 -9.392 10.279 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 521 -8.005 12.193 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 521 -6.322 12.098 7.350 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.653 12.236 6.177 1.00 0.00 H new ATOM 118 N PRO A 522 -4.878 8.312 7.076 1.00 0.00 N ATOM 119 CA PRO A 522 -4.273 7.057 7.527 1.00 0.00 C ATOM 120 C PRO A 522 -5.246 6.211 8.344 1.00 0.00 C ATOM 121 O PRO A 522 -5.314 4.993 8.182 1.00 0.00 O ATOM 122 CB PRO A 522 -3.086 7.505 8.397 1.00 0.00 C ATOM 123 CG PRO A 522 -3.275 8.969 8.619 1.00 0.00 C ATOM 124 CD PRO A 522 -4.056 9.473 7.443 1.00 0.00 C ATOM 0 HA PRO A 522 -3.978 6.428 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -3.069 6.965 9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -2.138 7.304 7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.810 9.156 9.550 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -2.314 9.478 8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.669 10.336 7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -3.403 9.781 6.626 1.00 0.00 H new ATOM 132 N GLU A 523 -5.984 6.872 9.227 1.00 0.00 N ATOM 133 CA GLU A 523 -6.960 6.185 10.065 1.00 0.00 C ATOM 134 C GLU A 523 -8.025 5.494 9.202 1.00 0.00 C ATOM 135 O GLU A 523 -8.475 4.397 9.523 1.00 0.00 O ATOM 136 CB GLU A 523 -7.608 7.143 11.065 1.00 0.00 C ATOM 137 CG GLU A 523 -8.402 8.273 10.438 1.00 0.00 C ATOM 138 CD GLU A 523 -8.990 9.192 11.482 1.00 0.00 C ATOM 139 OE1 GLU A 523 -10.071 8.877 12.024 1.00 0.00 O ATOM 140 OE2 GLU A 523 -8.366 10.233 11.778 1.00 0.00 O ATOM 0 H GLU A 523 -5.926 7.879 9.382 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.431 5.421 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.268 6.572 11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.828 7.571 11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.756 8.845 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -9.203 7.858 9.826 1.00 0.00 H new ATOM 147 N GLU A 524 -8.428 6.137 8.109 1.00 0.00 N ATOM 148 CA GLU A 524 -9.356 5.528 7.168 1.00 0.00 C ATOM 149 C GLU A 524 -8.676 4.414 6.369 1.00 0.00 C ATOM 150 O GLU A 524 -9.304 3.427 6.013 1.00 0.00 O ATOM 151 CB GLU A 524 -9.937 6.574 6.217 1.00 0.00 C ATOM 152 CG GLU A 524 -10.785 7.630 6.908 1.00 0.00 C ATOM 153 CD GLU A 524 -11.996 7.065 7.623 1.00 0.00 C ATOM 154 OE1 GLU A 524 -13.014 6.783 6.954 1.00 0.00 O ATOM 155 OE2 GLU A 524 -11.952 6.936 8.864 1.00 0.00 O ATOM 0 H GLU A 524 -8.126 7.078 7.856 1.00 0.00 H new ATOM 0 HA GLU A 524 -10.171 5.093 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -9.119 7.066 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.544 6.070 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -10.167 8.167 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -11.118 8.358 6.168 1.00 0.00 H new ATOM 162 N VAL A 525 -7.391 4.583 6.086 1.00 0.00 N ATOM 163 CA VAL A 525 -6.637 3.593 5.318 1.00 0.00 C ATOM 164 C VAL A 525 -6.378 2.325 6.143 1.00 0.00 C ATOM 165 O VAL A 525 -6.283 1.223 5.596 1.00 0.00 O ATOM 166 CB VAL A 525 -5.295 4.174 4.817 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.507 3.138 4.027 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.529 5.415 3.970 1.00 0.00 C ATOM 0 H VAL A 525 -6.846 5.395 6.375 1.00 0.00 H new ATOM 0 HA VAL A 525 -7.247 3.328 4.454 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.708 4.453 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.568 3.576 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -4.297 2.278 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -5.091 2.818 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.572 5.808 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -6.144 5.157 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -6.039 6.172 4.566 1.00 0.00 H new ATOM 178 N ARG A 526 -6.245 2.481 7.456 1.00 0.00 N ATOM 179 CA ARG A 526 -6.113 1.327 8.348 1.00 0.00 C ATOM 180 C ARG A 526 -7.470 0.694 8.635 1.00 0.00 C ATOM 181 O ARG A 526 -7.535 -0.422 9.143 1.00 0.00 O ATOM 182 CB ARG A 526 -5.435 1.698 9.673 1.00 0.00 C ATOM 183 CG ARG A 526 -6.185 2.743 10.471 1.00 0.00 C ATOM 184 CD ARG A 526 -5.516 3.031 11.806 1.00 0.00 C ATOM 185 NE ARG A 526 -5.563 1.883 12.711 1.00 0.00 N ATOM 186 CZ ARG A 526 -5.713 1.983 14.033 1.00 0.00 C ATOM 187 NH1 ARG A 526 -5.842 3.175 14.605 1.00 0.00 N ATOM 188 NH2 ARG A 526 -5.739 0.890 14.783 1.00 0.00 N ATOM 0 H ARG A 526 -6.225 3.386 7.926 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.482 0.606 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.328 0.799 10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.430 2.065 9.466 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -6.249 3.664 9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -7.206 2.403 10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -4.477 3.314 11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -6.005 3.883 12.278 1.00 0.00 H new ATOM 0 HE ARG A 526 -5.476 0.950 12.307 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -5.827 4.019 14.033 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -5.956 3.246 15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -5.644 -0.028 14.349 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -5.854 0.968 15.794 1.00 0.00 H new ATOM 202 N LEU A 527 -8.547 1.417 8.339 1.00 0.00 N ATOM 203 CA LEU A 527 -9.906 0.909 8.524 1.00 0.00 C ATOM 204 C LEU A 527 -10.073 -0.480 7.884 1.00 0.00 C ATOM 205 O LEU A 527 -10.565 -1.397 8.538 1.00 0.00 O ATOM 206 CB LEU A 527 -10.920 1.909 7.934 1.00 0.00 C ATOM 207 CG LEU A 527 -12.100 2.303 8.825 1.00 0.00 C ATOM 208 CD1 LEU A 527 -13.015 1.118 9.063 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.610 2.883 10.143 1.00 0.00 C ATOM 0 H LEU A 527 -8.505 2.366 7.966 1.00 0.00 H new ATOM 0 HA LEU A 527 -10.094 0.801 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.382 2.817 7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -11.318 1.485 7.012 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.673 3.073 8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.846 1.422 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.400 0.759 8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.457 0.320 9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.465 3.156 10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -11.007 2.140 10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -11.005 3.769 9.948 1.00 0.00 H new ATOM 221 N PRO A 528 -9.662 -0.667 6.606 1.00 0.00 N ATOM 222 CA PRO A 528 -9.679 -1.985 5.958 1.00 0.00 C ATOM 223 C PRO A 528 -8.894 -3.027 6.743 1.00 0.00 C ATOM 224 O PRO A 528 -9.306 -4.181 6.838 1.00 0.00 O ATOM 225 CB PRO A 528 -9.013 -1.734 4.603 1.00 0.00 C ATOM 226 CG PRO A 528 -9.197 -0.283 4.345 1.00 0.00 C ATOM 227 CD PRO A 528 -9.185 0.382 5.686 1.00 0.00 C ATOM 0 HA PRO A 528 -10.691 -2.382 5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -7.956 -1.999 4.628 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.474 -2.335 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.399 0.104 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -10.137 -0.096 3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -8.185 0.724 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.836 1.256 5.704 1.00 0.00 H new ATOM 235 N LEU A 529 -7.775 -2.604 7.322 1.00 0.00 N ATOM 236 CA LEU A 529 -6.904 -3.502 8.073 1.00 0.00 C ATOM 237 C LEU A 529 -7.634 -4.062 9.287 1.00 0.00 C ATOM 238 O LEU A 529 -7.308 -5.143 9.777 1.00 0.00 O ATOM 239 CB LEU A 529 -5.633 -2.770 8.525 1.00 0.00 C ATOM 240 CG LEU A 529 -4.837 -2.083 7.411 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.568 -1.447 7.965 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.498 -3.073 6.313 1.00 0.00 C ATOM 0 H LEU A 529 -7.448 -1.638 7.285 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.622 -4.326 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.911 -2.020 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.981 -3.486 9.026 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.457 -1.293 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -3.019 -0.965 7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.832 -0.704 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.944 -2.217 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -3.933 -2.568 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.900 -3.885 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.418 -3.479 5.892 1.00 0.00 H new ATOM 254 N GLN A 530 -8.631 -3.325 9.761 1.00 0.00 N ATOM 255 CA GLN A 530 -9.406 -3.744 10.919 1.00 0.00 C ATOM 256 C GLN A 530 -10.545 -4.670 10.493 1.00 0.00 C ATOM 257 O GLN A 530 -11.239 -5.247 11.332 1.00 0.00 O ATOM 258 CB GLN A 530 -9.980 -2.529 11.660 1.00 0.00 C ATOM 259 CG GLN A 530 -9.017 -1.355 11.766 1.00 0.00 C ATOM 260 CD GLN A 530 -9.396 -0.381 12.863 1.00 0.00 C ATOM 261 OE1 GLN A 530 -10.212 0.603 12.524 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 -8.957 -0.511 14.006 1.00 0.00 N flip ATOM 0 H GLN A 530 -8.921 -2.433 9.360 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.739 -4.283 11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.884 -2.199 11.149 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -10.275 -2.835 12.664 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -8.011 -1.732 11.953 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.988 -0.828 10.812 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -8.330 -1.284 14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -9.221 0.155 14.732 1.00 0.00 H new ATOM 271 N HIS A 531 -10.742 -4.800 9.185 1.00 0.00 N ATOM 272 CA HIS A 531 -11.835 -5.603 8.651 1.00 0.00 C ATOM 273 C HIS A 531 -11.338 -6.609 7.622 1.00 0.00 C ATOM 274 O HIS A 531 -11.814 -6.635 6.487 1.00 0.00 O ATOM 275 CB HIS A 531 -12.904 -4.715 8.011 1.00 0.00 C ATOM 276 CG HIS A 531 -13.555 -3.765 8.966 1.00 0.00 C ATOM 277 ND1 HIS A 531 -13.345 -2.440 9.136 1.00 0.00 N flip ATOM 278 CD2 HIS A 531 -14.519 -4.184 9.851 1.00 0.00 C flip ATOM 279 CE1 HIS A 531 -14.185 -2.029 10.138 1.00 0.00 C flip ATOM 280 NE2 HIS A 531 -14.870 -3.110 10.536 1.00 0.00 N flip ATOM 0 H HIS A 531 -10.158 -4.359 8.475 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.270 -6.146 9.490 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.451 -4.145 7.200 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.670 -5.349 7.566 1.00 0.00 H new ATOM 0 HD1 HIS A 531 -12.687 -1.858 8.618 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -14.909 -5.185 9.963 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -14.277 -1.027 10.531 1.00 0.00 H new ATOM 288 N GLY A 532 -10.385 -7.434 8.012 1.00 0.00 N ATOM 289 CA GLY A 532 -9.931 -8.492 7.136 1.00 0.00 C ATOM 290 C GLY A 532 -8.846 -8.069 6.163 1.00 0.00 C ATOM 291 O GLY A 532 -7.858 -8.783 5.989 1.00 0.00 O ATOM 0 H GLY A 532 -9.917 -7.392 8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.558 -9.317 7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.782 -8.872 6.571 1.00 0.00 H new ATOM 295 N TRP A 533 -9.031 -6.921 5.518 1.00 0.00 N ATOM 296 CA TRP A 533 -8.106 -6.454 4.489 1.00 0.00 C ATOM 297 C TRP A 533 -6.704 -6.248 5.047 1.00 0.00 C ATOM 298 O TRP A 533 -6.521 -6.036 6.248 1.00 0.00 O ATOM 299 CB TRP A 533 -8.591 -5.134 3.888 1.00 0.00 C ATOM 300 CG TRP A 533 -9.904 -5.227 3.175 1.00 0.00 C ATOM 301 CD1 TRP A 533 -11.146 -5.285 3.739 1.00 0.00 C ATOM 302 CD2 TRP A 533 -10.104 -5.243 1.759 1.00 0.00 C ATOM 303 NE1 TRP A 533 -12.104 -5.360 2.758 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.490 -5.329 1.534 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.244 -5.197 0.660 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -12.035 -5.368 0.254 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.785 -5.234 -0.609 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.169 -5.317 -0.804 1.00 0.00 C ATOM 0 H TRP A 533 -9.817 -6.294 5.691 1.00 0.00 H new ATOM 0 HA TRP A 533 -8.072 -7.225 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.675 -4.395 4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.838 -4.767 3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.346 -5.274 4.800 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -13.110 -5.428 2.915 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.175 -5.134 0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -13.102 -5.436 0.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.129 -5.198 -1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.561 -5.341 -1.810 1.00 0.00 H new ATOM 319 N ARG A 534 -5.718 -6.303 4.168 1.00 0.00 N ATOM 320 CA ARG A 534 -4.349 -5.992 4.531 1.00 0.00 C ATOM 321 C ARG A 534 -3.773 -5.071 3.484 1.00 0.00 C ATOM 322 O ARG A 534 -4.292 -4.986 2.368 1.00 0.00 O ATOM 323 CB ARG A 534 -3.500 -7.260 4.650 1.00 0.00 C ATOM 324 CG ARG A 534 -2.060 -7.028 5.085 1.00 0.00 C ATOM 325 CD ARG A 534 -1.293 -8.336 5.222 1.00 0.00 C ATOM 326 NE ARG A 534 -0.889 -8.890 3.928 1.00 0.00 N ATOM 327 CZ ARG A 534 -1.227 -10.102 3.486 1.00 0.00 C ATOM 328 NH1 ARG A 534 -2.057 -10.870 4.184 1.00 0.00 N ATOM 329 NH2 ARG A 534 -0.726 -10.543 2.340 1.00 0.00 N ATOM 0 H ARG A 534 -5.844 -6.563 3.190 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.340 -5.505 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.976 -7.933 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -3.496 -7.769 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -1.560 -6.388 4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -2.049 -6.499 6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -0.407 -8.171 5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -1.913 -9.063 5.747 1.00 0.00 H new ATOM 0 HE ARG A 534 -0.309 -8.309 3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -2.442 -10.534 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -2.309 -11.795 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -0.087 -9.956 1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -0.980 -11.469 1.995 1.00 0.00 H new ATOM 343 N ARG A 535 -2.705 -4.397 3.835 1.00 0.00 N ATOM 344 CA ARG A 535 -2.113 -3.446 2.914 1.00 0.00 C ATOM 345 C ARG A 535 -0.608 -3.376 3.093 1.00 0.00 C ATOM 346 O ARG A 535 -0.106 -3.013 4.157 1.00 0.00 O ATOM 347 CB ARG A 535 -2.736 -2.073 3.153 1.00 0.00 C ATOM 348 CG ARG A 535 -2.386 -1.040 2.103 1.00 0.00 C ATOM 349 CD ARG A 535 -1.649 0.134 2.709 1.00 0.00 C ATOM 350 NE ARG A 535 -1.725 1.325 1.863 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.918 2.377 1.974 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.014 2.424 2.944 1.00 0.00 N ATOM 353 NH2 ARG A 535 -1.023 3.381 1.115 1.00 0.00 N ATOM 0 H ARG A 535 -2.232 -4.483 4.734 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.310 -3.771 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.820 -2.181 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.416 -1.706 4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.770 -1.499 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -3.297 -0.689 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -2.069 0.359 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.604 -0.135 2.864 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.444 1.351 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.063 1.653 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.604 3.232 3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.721 3.346 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.406 4.189 1.197 1.00 0.00 H new ATOM 367 N GLU A 536 0.101 -3.702 2.036 1.00 0.00 N ATOM 368 CA GLU A 536 1.547 -3.732 2.051 1.00 0.00 C ATOM 369 C GLU A 536 2.083 -2.660 1.121 1.00 0.00 C ATOM 370 O GLU A 536 1.506 -2.408 0.073 1.00 0.00 O ATOM 371 CB GLU A 536 2.049 -5.096 1.578 1.00 0.00 C ATOM 372 CG GLU A 536 1.745 -6.231 2.534 1.00 0.00 C ATOM 373 CD GLU A 536 2.102 -7.585 1.955 1.00 0.00 C ATOM 374 OE1 GLU A 536 3.131 -7.696 1.253 1.00 0.00 O ATOM 375 OE2 GLU A 536 1.341 -8.546 2.183 1.00 0.00 O ATOM 0 H GLU A 536 -0.310 -3.955 1.138 1.00 0.00 H new ATOM 0 HA GLU A 536 1.894 -3.552 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.601 -5.321 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.127 -5.042 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.297 -6.079 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.685 -6.215 2.787 1.00 0.00 H new ATOM 382 N VAL A 537 3.164 -2.014 1.501 1.00 0.00 N ATOM 383 CA VAL A 537 3.800 -1.051 0.625 1.00 0.00 C ATOM 384 C VAL A 537 5.190 -1.537 0.276 1.00 0.00 C ATOM 385 O VAL A 537 6.047 -1.690 1.143 1.00 0.00 O ATOM 386 CB VAL A 537 3.886 0.354 1.255 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.547 1.337 0.296 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.503 0.843 1.649 1.00 0.00 C ATOM 0 H VAL A 537 3.620 -2.136 2.405 1.00 0.00 H new ATOM 0 HA VAL A 537 3.186 -0.965 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 537 4.500 0.290 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.597 2.321 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.555 0.995 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 537 3.962 1.399 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.581 1.836 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 537 1.868 0.889 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.067 0.155 2.374 1.00 0.00 H new ATOM 398 N ARG A 538 5.396 -1.791 -0.994 1.00 0.00 N ATOM 399 CA ARG A 538 6.642 -2.362 -1.449 1.00 0.00 C ATOM 400 C ARG A 538 7.460 -1.318 -2.185 1.00 0.00 C ATOM 401 O ARG A 538 7.032 -0.782 -3.208 1.00 0.00 O ATOM 402 CB ARG A 538 6.356 -3.590 -2.313 1.00 0.00 C ATOM 403 CG ARG A 538 5.626 -4.674 -1.533 1.00 0.00 C ATOM 404 CD ARG A 538 5.276 -5.880 -2.384 1.00 0.00 C ATOM 405 NE ARG A 538 4.608 -6.910 -1.585 1.00 0.00 N ATOM 406 CZ ARG A 538 4.302 -8.126 -2.030 1.00 0.00 C ATOM 407 NH1 ARG A 538 4.580 -8.475 -3.279 1.00 0.00 N ATOM 408 NH2 ARG A 538 3.717 -8.998 -1.219 1.00 0.00 N ATOM 0 H ARG A 538 4.716 -1.611 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 538 7.235 -2.688 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 538 5.756 -3.296 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.294 -3.989 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.248 -4.994 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 538 4.712 -4.257 -1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 538 4.628 -5.574 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.182 -6.291 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 538 4.361 -6.680 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 538 5.032 -7.809 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 538 4.342 -9.409 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 538 3.503 -8.736 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 538 3.481 -9.931 -1.558 1.00 0.00 H new ATOM 422 N ILE A 539 8.633 -1.022 -1.645 1.00 0.00 N ATOM 423 CA ILE A 539 9.477 0.018 -2.192 1.00 0.00 C ATOM 424 C ILE A 539 10.723 -0.586 -2.827 1.00 0.00 C ATOM 425 O ILE A 539 11.491 -1.303 -2.184 1.00 0.00 O ATOM 426 CB ILE A 539 9.891 1.010 -1.096 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.650 1.512 -0.351 1.00 0.00 C ATOM 428 CG2 ILE A 539 10.668 2.173 -1.694 1.00 0.00 C ATOM 429 CD1 ILE A 539 8.952 2.488 0.763 1.00 0.00 C ATOM 0 H ILE A 539 9.019 -1.492 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 539 8.907 0.548 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 539 10.542 0.500 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 539 7.979 1.989 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.118 0.656 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 539 10.953 2.866 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.564 1.797 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.044 2.691 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.021 2.795 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.597 2.010 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.456 3.363 0.353 1.00 0.00 H new ATOM 441 N LYS A 540 10.909 -0.272 -4.088 1.00 0.00 N ATOM 442 CA LYS A 540 12.017 -0.806 -4.858 1.00 0.00 C ATOM 443 C LYS A 540 12.832 0.302 -5.499 1.00 0.00 C ATOM 444 O LYS A 540 12.288 1.326 -5.918 1.00 0.00 O ATOM 445 CB LYS A 540 11.483 -1.761 -5.928 1.00 0.00 C ATOM 446 CG LYS A 540 10.371 -1.158 -6.776 1.00 0.00 C ATOM 447 CD LYS A 540 9.740 -2.185 -7.702 1.00 0.00 C ATOM 448 CE LYS A 540 10.752 -2.755 -8.681 1.00 0.00 C ATOM 449 NZ LYS A 540 10.134 -3.729 -9.618 1.00 0.00 N ATOM 0 H LYS A 540 10.301 0.358 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 540 12.676 -1.349 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 540 12.304 -2.061 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.112 -2.665 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 540 9.605 -0.739 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 540 10.772 -0.335 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 540 9.311 -2.993 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 540 8.921 -1.723 -8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 540 11.204 -1.942 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 540 11.555 -3.243 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 10.859 -4.093 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 9.725 -4.518 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 9.385 -3.258 -10.164 1.00 0.00 H new ATOM 463 N LYS A 541 14.139 0.103 -5.573 1.00 0.00 N ATOM 464 CA LYS A 541 14.973 1.050 -6.279 1.00 0.00 C ATOM 465 C LYS A 541 14.738 0.871 -7.766 1.00 0.00 C ATOM 466 O LYS A 541 14.913 -0.226 -8.303 1.00 0.00 O ATOM 467 CB LYS A 541 16.452 0.832 -5.952 1.00 0.00 C ATOM 468 CG LYS A 541 17.396 1.675 -6.799 1.00 0.00 C ATOM 469 CD LYS A 541 17.294 3.154 -6.464 1.00 0.00 C ATOM 470 CE LYS A 541 18.248 3.987 -7.307 1.00 0.00 C ATOM 471 NZ LYS A 541 19.671 3.646 -7.044 1.00 0.00 N ATOM 0 H LYS A 541 14.632 -0.689 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 541 14.713 2.063 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 541 16.620 1.061 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 541 16.695 -0.221 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.421 1.338 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.167 1.526 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.272 3.495 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.515 3.304 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.028 3.831 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.085 5.045 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.286 4.364 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 19.838 3.622 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 19.886 2.714 -7.452 1.00 0.00 H new ATOM 485 N GLY A 542 14.337 1.936 -8.422 1.00 0.00 N ATOM 486 CA GLY A 542 14.010 1.849 -9.823 1.00 0.00 C ATOM 487 C GLY A 542 15.228 2.039 -10.689 1.00 0.00 C ATOM 488 O GLY A 542 16.285 2.442 -10.197 1.00 0.00 O ATOM 0 H GLY A 542 14.231 2.863 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 542 13.561 0.878 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 542 13.265 2.605 -10.071 1.00 0.00 H new ATOM 492 N SER A 543 15.089 1.746 -11.970 1.00 0.00 N ATOM 493 CA SER A 543 16.185 1.902 -12.909 1.00 0.00 C ATOM 494 C SER A 543 16.567 3.373 -13.035 1.00 0.00 C ATOM 495 O SER A 543 17.713 3.711 -13.329 1.00 0.00 O ATOM 496 CB SER A 543 15.776 1.343 -14.270 1.00 0.00 C ATOM 497 OG SER A 543 15.191 0.057 -14.129 1.00 0.00 O ATOM 0 H SER A 543 14.225 1.398 -12.385 1.00 0.00 H new ATOM 0 HA SER A 543 17.051 1.351 -12.542 1.00 0.00 H new ATOM 0 HB2 SER A 543 15.068 2.020 -14.749 1.00 0.00 H new ATOM 0 HB3 SER A 543 16.648 1.282 -14.921 1.00 0.00 H new ATOM 0 HG SER A 543 14.934 -0.284 -15.011 1.00 0.00 H new ATOM 503 N HIS A 544 15.597 4.246 -12.794 1.00 0.00 N ATOM 504 CA HIS A 544 15.820 5.677 -12.899 1.00 0.00 C ATOM 505 C HIS A 544 15.817 6.329 -11.523 1.00 0.00 C ATOM 506 O HIS A 544 16.806 6.943 -11.114 1.00 0.00 O ATOM 507 CB HIS A 544 14.758 6.321 -13.794 1.00 0.00 C ATOM 508 CG HIS A 544 14.710 5.734 -15.171 1.00 0.00 C ATOM 509 ND1 HIS A 544 13.522 5.374 -15.755 1.00 0.00 N ATOM 510 CD2 HIS A 544 15.725 5.460 -16.025 1.00 0.00 C ATOM 511 CE1 HIS A 544 13.837 4.891 -16.945 1.00 0.00 C ATOM 512 NE2 HIS A 544 15.161 4.924 -17.151 1.00 0.00 N ATOM 0 H HIS A 544 14.649 3.985 -12.524 1.00 0.00 H new ATOM 0 HA HIS A 544 16.800 5.835 -13.350 1.00 0.00 H new ATOM 0 HB2 HIS A 544 13.781 6.209 -13.325 1.00 0.00 H new ATOM 0 HB3 HIS A 544 14.955 7.390 -13.869 1.00 0.00 H new ATOM 0 HD2 HIS A 544 16.777 5.631 -15.851 1.00 0.00 H new ATOM 0 HE1 HIS A 544 13.119 4.517 -17.660 1.00 0.00 H new ATOM 0 HE2 HIS A 544 15.654 4.610 -17.987 1.00 0.00 H new ATOM 520 N ARG A 545 14.712 6.185 -10.803 1.00 0.00 N ATOM 521 CA ARG A 545 14.559 6.827 -9.503 1.00 0.00 C ATOM 522 C ARG A 545 13.963 5.870 -8.478 1.00 0.00 C ATOM 523 O ARG A 545 13.785 4.683 -8.746 1.00 0.00 O ATOM 524 CB ARG A 545 13.672 8.067 -9.620 1.00 0.00 C ATOM 525 CG ARG A 545 14.233 9.141 -10.534 1.00 0.00 C ATOM 526 CD ARG A 545 13.394 10.405 -10.484 1.00 0.00 C ATOM 527 NE ARG A 545 12.008 10.163 -10.881 1.00 0.00 N ATOM 528 CZ ARG A 545 11.038 11.065 -10.767 1.00 0.00 C ATOM 529 NH1 ARG A 545 11.299 12.257 -10.246 1.00 0.00 N ATOM 530 NH2 ARG A 545 9.806 10.769 -11.163 1.00 0.00 N ATOM 0 H ARG A 545 13.908 5.630 -11.097 1.00 0.00 H new ATOM 0 HA ARG A 545 15.552 7.122 -9.164 1.00 0.00 H new ATOM 0 HB2 ARG A 545 12.691 7.766 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 545 13.524 8.490 -8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 545 15.258 9.371 -10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 545 14.270 8.767 -11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 545 13.415 10.813 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 545 13.832 11.156 -11.141 1.00 0.00 H new ATOM 0 HE ARG A 545 11.771 9.249 -11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 545 12.244 12.481 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 545 10.555 12.949 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 545 9.603 9.849 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 545 9.062 11.461 -11.075 1.00 0.00 H new ATOM 544 N TRP A 546 13.657 6.403 -7.304 1.00 0.00 N ATOM 545 CA TRP A 546 13.083 5.597 -6.236 1.00 0.00 C ATOM 546 C TRP A 546 11.573 5.519 -6.383 1.00 0.00 C ATOM 547 O TRP A 546 10.889 6.542 -6.455 1.00 0.00 O ATOM 548 CB TRP A 546 13.453 6.156 -4.863 1.00 0.00 C ATOM 549 CG TRP A 546 14.777 5.663 -4.378 1.00 0.00 C ATOM 550 CD1 TRP A 546 15.999 6.209 -4.630 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.008 4.508 -3.563 1.00 0.00 C ATOM 552 NE1 TRP A 546 16.979 5.462 -4.026 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.396 4.414 -3.362 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.175 3.545 -2.984 1.00 0.00 C ATOM 555 CZ2 TRP A 546 16.971 3.396 -2.608 1.00 0.00 C ATOM 556 CZ3 TRP A 546 14.747 2.535 -2.235 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.134 2.467 -2.052 1.00 0.00 C ATOM 0 H TRP A 546 13.796 7.385 -7.067 1.00 0.00 H new ATOM 0 HA TRP A 546 13.497 4.592 -6.315 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.471 7.245 -4.911 1.00 0.00 H new ATOM 0 HB3 TRP A 546 12.682 5.881 -4.143 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.171 7.098 -5.218 1.00 0.00 H new ATOM 0 HE1 TRP A 546 17.980 5.655 -4.065 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.105 3.590 -3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.040 3.341 -2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.114 1.785 -1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 546 16.551 1.666 -1.460 1.00 0.00 H new ATOM 568 N GLN A 547 11.056 4.302 -6.435 1.00 0.00 N ATOM 569 CA GLN A 547 9.627 4.098 -6.578 1.00 0.00 C ATOM 570 C GLN A 547 9.082 3.144 -5.523 1.00 0.00 C ATOM 571 O GLN A 547 9.818 2.371 -4.912 1.00 0.00 O ATOM 572 CB GLN A 547 9.308 3.576 -7.981 1.00 0.00 C ATOM 573 CG GLN A 547 9.996 2.263 -8.314 1.00 0.00 C ATOM 574 CD GLN A 547 9.790 1.847 -9.755 1.00 0.00 C ATOM 575 OE1 GLN A 547 10.579 2.197 -10.632 1.00 0.00 O ATOM 576 NE2 GLN A 547 8.729 1.099 -10.013 1.00 0.00 N ATOM 0 H GLN A 547 11.604 3.444 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 547 9.139 5.062 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.230 3.445 -8.074 1.00 0.00 H new ATOM 0 HB3 GLN A 547 9.603 4.327 -8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.064 2.356 -8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.617 1.481 -7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.099 0.830 -9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.542 0.792 -10.967 1.00 0.00 H new ATOM 585 N GLY A 548 7.780 3.207 -5.337 1.00 0.00 N ATOM 586 CA GLY A 548 7.110 2.364 -4.375 1.00 0.00 C ATOM 587 C GLY A 548 5.677 2.127 -4.768 1.00 0.00 C ATOM 588 O GLY A 548 5.071 2.965 -5.438 1.00 0.00 O ATOM 0 H GLY A 548 7.162 3.840 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.632 1.410 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.148 2.829 -3.390 1.00 0.00 H new ATOM 592 N GLU A 549 5.128 0.995 -4.369 1.00 0.00 N ATOM 593 CA GLU A 549 3.755 0.677 -4.706 1.00 0.00 C ATOM 594 C GLU A 549 3.032 0.040 -3.536 1.00 0.00 C ATOM 595 O GLU A 549 3.627 -0.624 -2.688 1.00 0.00 O ATOM 596 CB GLU A 549 3.669 -0.226 -5.935 1.00 0.00 C ATOM 597 CG GLU A 549 4.202 -1.621 -5.710 1.00 0.00 C ATOM 598 CD GLU A 549 4.254 -2.431 -6.991 1.00 0.00 C ATOM 599 OE1 GLU A 549 4.255 -1.826 -8.085 1.00 0.00 O ATOM 600 OE2 GLU A 549 4.262 -3.675 -6.917 1.00 0.00 O ATOM 0 H GLU A 549 5.608 0.286 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 549 3.262 1.620 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 549 2.628 -0.292 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.223 0.236 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.202 -1.561 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.573 -2.135 -4.983 1.00 0.00 H new ATOM 607 N THR A 550 1.750 0.278 -3.512 1.00 0.00 N ATOM 608 CA THR A 550 0.901 -0.197 -2.441 1.00 0.00 C ATOM 609 C THR A 550 0.069 -1.392 -2.892 1.00 0.00 C ATOM 610 O THR A 550 -0.573 -1.357 -3.938 1.00 0.00 O ATOM 611 CB THR A 550 -0.020 0.920 -1.942 1.00 0.00 C ATOM 612 OG1 THR A 550 0.750 1.933 -1.281 1.00 0.00 O ATOM 613 CG2 THR A 550 -1.076 0.372 -1.004 1.00 0.00 C ATOM 0 H THR A 550 1.258 0.807 -4.232 1.00 0.00 H new ATOM 0 HA THR A 550 1.547 -0.513 -1.622 1.00 0.00 H new ATOM 0 HB THR A 550 -0.524 1.359 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 550 0.829 2.717 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.717 1.185 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.678 -0.370 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.593 -0.093 -0.145 1.00 0.00 H new ATOM 621 N TRP A 551 0.150 -2.467 -2.132 1.00 0.00 N ATOM 622 CA TRP A 551 -0.594 -3.670 -2.435 1.00 0.00 C ATOM 623 C TRP A 551 -1.737 -3.856 -1.437 1.00 0.00 C ATOM 624 O TRP A 551 -1.628 -3.513 -0.257 1.00 0.00 O ATOM 625 CB TRP A 551 0.314 -4.898 -2.390 1.00 0.00 C ATOM 626 CG TRP A 551 1.048 -5.151 -3.665 1.00 0.00 C ATOM 627 CD1 TRP A 551 1.924 -4.315 -4.287 1.00 0.00 C ATOM 628 CD2 TRP A 551 0.973 -6.331 -4.473 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.394 -4.898 -5.437 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.828 -6.137 -5.571 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.265 -7.532 -4.373 1.00 0.00 C ATOM 632 CZ2 TRP A 551 1.996 -7.098 -6.563 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.432 -8.486 -5.358 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.292 -8.265 -6.441 1.00 0.00 C ATOM 0 H TRP A 551 0.729 -2.530 -1.294 1.00 0.00 H new ATOM 0 HA TRP A 551 -1.001 -3.564 -3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.037 -4.774 -1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.287 -5.774 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.207 -3.337 -3.928 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.058 -4.476 -6.087 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.400 -7.711 -3.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.658 -6.929 -7.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.110 -9.418 -5.292 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.402 -9.031 -7.195 1.00 0.00 H new ATOM 645 N TYR A 552 -2.818 -4.408 -1.947 1.00 0.00 N ATOM 646 CA TYR A 552 -3.982 -4.738 -1.132 1.00 0.00 C ATOM 647 C TYR A 552 -4.425 -6.162 -1.409 1.00 0.00 C ATOM 648 O TYR A 552 -4.194 -6.693 -2.495 1.00 0.00 O ATOM 649 CB TYR A 552 -5.150 -3.783 -1.413 1.00 0.00 C ATOM 650 CG TYR A 552 -5.147 -2.490 -0.617 1.00 0.00 C ATOM 651 CD1 TYR A 552 -5.805 -2.405 0.605 1.00 0.00 C ATOM 652 CD2 TYR A 552 -4.533 -1.344 -1.104 1.00 0.00 C ATOM 653 CE1 TYR A 552 -5.841 -1.221 1.317 1.00 0.00 C ATOM 654 CE2 TYR A 552 -4.573 -0.156 -0.403 1.00 0.00 C ATOM 655 CZ TYR A 552 -5.226 -0.099 0.807 1.00 0.00 C ATOM 656 OH TYR A 552 -5.271 1.087 1.503 1.00 0.00 O ATOM 0 H TYR A 552 -2.921 -4.642 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.693 -4.636 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -5.146 -3.535 -2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -6.083 -4.310 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -6.297 -3.280 1.005 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -4.014 -1.383 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -6.349 -1.176 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -4.094 0.726 -0.802 1.00 0.00 H new ATOM 0 HH TYR A 552 -4.359 1.375 1.717 1.00 0.00 H new ATOM 666 N TYR A 553 -5.053 -6.791 -0.433 1.00 0.00 N ATOM 667 CA TYR A 553 -5.508 -8.159 -0.590 1.00 0.00 C ATOM 668 C TYR A 553 -6.920 -8.310 -0.060 1.00 0.00 C ATOM 669 O TYR A 553 -7.219 -7.875 1.054 1.00 0.00 O ATOM 670 CB TYR A 553 -4.566 -9.110 0.160 1.00 0.00 C ATOM 671 CG TYR A 553 -3.104 -8.863 -0.140 1.00 0.00 C ATOM 672 CD1 TYR A 553 -2.374 -7.944 0.604 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.460 -9.530 -1.173 1.00 0.00 C ATOM 674 CE1 TYR A 553 -1.047 -7.697 0.325 1.00 0.00 C ATOM 675 CE2 TYR A 553 -1.131 -9.287 -1.457 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.430 -8.370 -0.706 1.00 0.00 C ATOM 677 OH TYR A 553 0.892 -8.124 -0.986 1.00 0.00 O ATOM 0 H TYR A 553 -5.259 -6.377 0.476 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.504 -8.410 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.733 -9.005 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.815 -10.138 -0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.854 -7.415 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -3.007 -10.250 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.494 -6.979 0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.644 -9.813 -2.264 1.00 0.00 H new ATOM 0 HH TYR A 553 0.992 -7.919 -1.939 1.00 0.00 H new ATOM 687 N GLY A 554 -7.786 -8.906 -0.865 1.00 0.00 N ATOM 688 CA GLY A 554 -9.133 -9.181 -0.425 1.00 0.00 C ATOM 689 C GLY A 554 -9.148 -10.249 0.646 1.00 0.00 C ATOM 690 O GLY A 554 -8.515 -11.294 0.487 1.00 0.00 O ATOM 0 H GLY A 554 -7.577 -9.204 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.586 -8.268 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.737 -9.503 -1.273 1.00 0.00 H new ATOM 694 N PRO A 555 -9.856 -10.014 1.755 1.00 0.00 N ATOM 695 CA PRO A 555 -9.884 -10.945 2.888 1.00 0.00 C ATOM 696 C PRO A 555 -10.686 -12.205 2.586 1.00 0.00 C ATOM 697 O PRO A 555 -10.684 -13.161 3.363 1.00 0.00 O ATOM 698 CB PRO A 555 -10.565 -10.134 3.991 1.00 0.00 C ATOM 699 CG PRO A 555 -11.411 -9.142 3.270 1.00 0.00 C ATOM 700 CD PRO A 555 -10.685 -8.819 1.996 1.00 0.00 C ATOM 0 HA PRO A 555 -8.887 -11.299 3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.168 -10.773 4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -9.832 -9.639 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.399 -9.552 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.558 -8.245 3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.378 -8.640 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -10.074 -7.922 2.099 1.00 0.00 H new ATOM 708 N CYS A 556 -11.366 -12.198 1.453 1.00 0.00 N ATOM 709 CA CYS A 556 -12.251 -13.286 1.084 1.00 0.00 C ATOM 710 C CYS A 556 -12.107 -13.636 -0.392 1.00 0.00 C ATOM 711 O CYS A 556 -12.868 -14.450 -0.919 1.00 0.00 O ATOM 712 CB CYS A 556 -13.699 -12.912 1.398 1.00 0.00 C ATOM 713 SG CYS A 556 -13.992 -12.520 3.138 1.00 0.00 S ATOM 0 H CYS A 556 -11.320 -11.443 0.768 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.973 -14.164 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.983 -12.053 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.349 -13.737 1.107 1.00 0.00 H new ATOM 0 HG CYS A 556 -15.244 -12.213 3.309 1.00 0.00 H new ATOM 719 N GLY A 557 -11.142 -13.025 -1.067 1.00 0.00 N ATOM 720 CA GLY A 557 -11.068 -13.159 -2.506 1.00 0.00 C ATOM 721 C GLY A 557 -9.684 -12.880 -3.056 1.00 0.00 C ATOM 722 O GLY A 557 -8.673 -13.229 -2.442 1.00 0.00 O ATOM 0 H GLY A 557 -10.416 -12.444 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.368 -14.168 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.781 -12.475 -2.966 1.00 0.00 H new ATOM 726 N LYS A 558 -9.653 -12.236 -4.211 1.00 0.00 N ATOM 727 CA LYS A 558 -8.402 -11.953 -4.908 1.00 0.00 C ATOM 728 C LYS A 558 -7.682 -10.762 -4.289 1.00 0.00 C ATOM 729 O LYS A 558 -8.144 -10.190 -3.303 1.00 0.00 O ATOM 730 CB LYS A 558 -8.634 -11.711 -6.406 1.00 0.00 C ATOM 731 CG LYS A 558 -9.611 -10.592 -6.749 1.00 0.00 C ATOM 732 CD LYS A 558 -11.030 -11.121 -6.905 1.00 0.00 C ATOM 733 CE LYS A 558 -11.907 -10.142 -7.665 1.00 0.00 C ATOM 734 NZ LYS A 558 -13.231 -10.723 -8.007 1.00 0.00 N ATOM 0 H LYS A 558 -10.486 -11.895 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.769 -12.834 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.675 -11.487 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -8.998 -12.636 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -9.588 -9.834 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.299 -10.105 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -11.008 -12.076 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -11.460 -11.309 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -12.051 -9.244 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -11.399 -9.836 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -13.795 -10.020 -8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -13.097 -11.565 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -13.728 -10.991 -7.134 1.00 0.00 H new ATOM 748 N ARG A 559 -6.559 -10.385 -4.879 1.00 0.00 N ATOM 749 CA ARG A 559 -5.780 -9.267 -4.375 1.00 0.00 C ATOM 750 C ARG A 559 -5.642 -8.199 -5.440 1.00 0.00 C ATOM 751 O ARG A 559 -5.514 -8.497 -6.628 1.00 0.00 O ATOM 752 CB ARG A 559 -4.392 -9.711 -3.893 1.00 0.00 C ATOM 753 CG ARG A 559 -3.386 -10.017 -4.999 1.00 0.00 C ATOM 754 CD ARG A 559 -3.734 -11.286 -5.758 1.00 0.00 C ATOM 755 NE ARG A 559 -3.987 -12.412 -4.862 1.00 0.00 N ATOM 756 CZ ARG A 559 -4.374 -13.616 -5.272 1.00 0.00 C ATOM 757 NH1 ARG A 559 -4.531 -13.864 -6.566 1.00 0.00 N ATOM 758 NH2 ARG A 559 -4.604 -14.573 -4.385 1.00 0.00 N ATOM 0 H ARG A 559 -6.168 -10.836 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 559 -6.314 -8.856 -3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.980 -8.929 -3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.508 -10.600 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.348 -9.179 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.391 -10.117 -4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -4.615 -11.109 -6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -2.918 -11.538 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 559 -3.859 -12.265 -3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -4.355 -13.129 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -4.828 -14.789 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -4.484 -14.385 -3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -4.901 -15.497 -4.698 1.00 0.00 H new ATOM 772 N MET A 560 -5.686 -6.960 -5.004 1.00 0.00 N ATOM 773 CA MET A 560 -5.631 -5.840 -5.915 1.00 0.00 C ATOM 774 C MET A 560 -4.550 -4.859 -5.502 1.00 0.00 C ATOM 775 O MET A 560 -4.311 -4.647 -4.320 1.00 0.00 O ATOM 776 CB MET A 560 -6.988 -5.128 -5.985 1.00 0.00 C ATOM 777 CG MET A 560 -8.138 -6.005 -6.479 1.00 0.00 C ATOM 778 SD MET A 560 -8.707 -7.210 -5.261 1.00 0.00 S ATOM 779 CE MET A 560 -9.115 -6.136 -3.890 1.00 0.00 C ATOM 0 H MET A 560 -5.760 -6.702 -4.020 1.00 0.00 H new ATOM 0 HA MET A 560 -5.388 -6.227 -6.905 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.237 -4.749 -4.994 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.898 -4.264 -6.644 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.974 -5.366 -6.763 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.820 -6.533 -7.378 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.874 -6.611 -3.269 1.00 0.00 H new ATOM 0 HE2 MET A 560 -8.221 -5.952 -3.293 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.498 -5.189 -4.271 1.00 0.00 H new ATOM 789 N LYS A 561 -3.907 -4.249 -6.479 1.00 0.00 N ATOM 790 CA LYS A 561 -2.907 -3.237 -6.203 1.00 0.00 C ATOM 791 C LYS A 561 -3.122 -2.048 -7.129 1.00 0.00 C ATOM 792 O LYS A 561 -2.289 -1.147 -7.235 1.00 0.00 O ATOM 793 CB LYS A 561 -1.486 -3.800 -6.313 1.00 0.00 C ATOM 794 CG LYS A 561 -1.119 -4.399 -7.666 1.00 0.00 C ATOM 795 CD LYS A 561 -0.471 -3.384 -8.594 1.00 0.00 C ATOM 796 CE LYS A 561 0.903 -2.961 -8.092 1.00 0.00 C ATOM 797 NZ LYS A 561 1.632 -2.126 -9.085 1.00 0.00 N ATOM 0 H LYS A 561 -4.059 -4.437 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 561 -3.021 -2.900 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.779 -3.002 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.358 -4.567 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.438 -5.237 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -2.016 -4.798 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.378 -3.811 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.113 -2.507 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.792 -2.403 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.493 -3.848 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 2.604 -1.961 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.658 -2.619 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 1.144 -1.214 -9.196 1.00 0.00 H new ATOM 811 N GLN A 562 -4.271 -2.060 -7.786 1.00 0.00 N ATOM 812 CA GLN A 562 -4.697 -0.951 -8.613 1.00 0.00 C ATOM 813 C GLN A 562 -6.034 -0.434 -8.117 1.00 0.00 C ATOM 814 O GLN A 562 -6.877 -1.210 -7.665 1.00 0.00 O ATOM 815 CB GLN A 562 -4.833 -1.377 -10.075 1.00 0.00 C ATOM 816 CG GLN A 562 -3.544 -1.847 -10.724 1.00 0.00 C ATOM 817 CD GLN A 562 -2.706 -0.722 -11.317 1.00 0.00 C ATOM 818 OE1 GLN A 562 -2.779 0.470 -10.747 1.00 0.00 O flip ATOM 819 NE2 GLN A 562 -1.994 -0.927 -12.299 1.00 0.00 N flip ATOM 0 H GLN A 562 -4.930 -2.838 -7.759 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.943 -0.166 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.568 -2.179 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.227 -0.538 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -2.948 -2.379 -9.982 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.785 -2.562 -11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -1.958 -1.856 -12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -1.440 -0.167 -12.695 1.00 0.00 H new ATOM 828 N PHE A 563 -6.226 0.870 -8.216 1.00 0.00 N ATOM 829 CA PHE A 563 -7.478 1.499 -7.817 1.00 0.00 C ATOM 830 C PHE A 563 -8.676 0.925 -8.589 1.00 0.00 C ATOM 831 O PHE A 563 -9.669 0.532 -7.975 1.00 0.00 O ATOM 832 CB PHE A 563 -7.390 3.013 -8.016 1.00 0.00 C ATOM 833 CG PHE A 563 -8.545 3.774 -7.426 1.00 0.00 C ATOM 834 CD1 PHE A 563 -9.044 3.445 -6.175 1.00 0.00 C ATOM 835 CD2 PHE A 563 -9.130 4.818 -8.122 1.00 0.00 C ATOM 836 CE1 PHE A 563 -10.101 4.145 -5.631 1.00 0.00 C ATOM 837 CE2 PHE A 563 -10.187 5.523 -7.580 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.674 5.186 -6.334 1.00 0.00 C ATOM 0 H PHE A 563 -5.526 1.520 -8.572 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.638 1.284 -6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.464 3.375 -7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.334 3.227 -9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.600 2.632 -5.620 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.756 5.084 -9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.480 3.879 -4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.632 6.338 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.501 5.735 -5.910 1.00 0.00 H new ATOM 848 N PRO A 564 -8.606 0.835 -9.940 1.00 0.00 N ATOM 849 CA PRO A 564 -9.719 0.321 -10.751 1.00 0.00 C ATOM 850 C PRO A 564 -10.007 -1.153 -10.477 1.00 0.00 C ATOM 851 O PRO A 564 -11.056 -1.672 -10.855 1.00 0.00 O ATOM 852 CB PRO A 564 -9.238 0.516 -12.191 1.00 0.00 C ATOM 853 CG PRO A 564 -7.756 0.546 -12.089 1.00 0.00 C ATOM 854 CD PRO A 564 -7.458 1.220 -10.789 1.00 0.00 C ATOM 0 HA PRO A 564 -10.653 0.838 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.575 -0.296 -12.835 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.625 1.442 -12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.341 -0.461 -12.113 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.316 1.092 -12.924 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.512 0.880 -10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.386 2.302 -10.903 1.00 0.00 H new ATOM 862 N GLU A 565 -9.081 -1.817 -9.797 1.00 0.00 N ATOM 863 CA GLU A 565 -9.259 -3.207 -9.400 1.00 0.00 C ATOM 864 C GLU A 565 -9.988 -3.303 -8.061 1.00 0.00 C ATOM 865 O GLU A 565 -10.629 -4.308 -7.756 1.00 0.00 O ATOM 866 CB GLU A 565 -7.908 -3.917 -9.333 1.00 0.00 C ATOM 867 CG GLU A 565 -7.197 -3.998 -10.675 1.00 0.00 C ATOM 868 CD GLU A 565 -7.987 -4.765 -11.715 1.00 0.00 C ATOM 869 OE1 GLU A 565 -8.022 -6.008 -11.647 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.578 -4.127 -12.609 1.00 0.00 O ATOM 0 H GLU A 565 -8.192 -1.410 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.873 -3.702 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.267 -3.395 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -8.056 -4.926 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.007 -2.989 -11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.227 -4.475 -10.538 1.00 0.00 H new ATOM 877 N VAL A 566 -9.866 -2.262 -7.257 1.00 0.00 N ATOM 878 CA VAL A 566 -10.547 -2.222 -5.972 1.00 0.00 C ATOM 879 C VAL A 566 -12.023 -1.873 -6.161 1.00 0.00 C ATOM 880 O VAL A 566 -12.902 -2.506 -5.574 1.00 0.00 O ATOM 881 CB VAL A 566 -9.874 -1.228 -4.998 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.733 -1.008 -3.761 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.492 -1.738 -4.600 1.00 0.00 C ATOM 0 H VAL A 566 -9.305 -1.436 -7.468 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.474 -3.215 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.766 -0.271 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -10.236 -0.305 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.701 -0.604 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.878 -1.957 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -8.027 -1.030 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.589 -2.707 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.872 -1.841 -5.490 1.00 0.00 H new ATOM 893 N ILE A 567 -12.282 -0.882 -7.012 1.00 0.00 N ATOM 894 CA ILE A 567 -13.649 -0.413 -7.279 1.00 0.00 C ATOM 895 C ILE A 567 -14.538 -1.543 -7.788 1.00 0.00 C ATOM 896 O ILE A 567 -15.731 -1.602 -7.485 1.00 0.00 O ATOM 897 CB ILE A 567 -13.665 0.726 -8.318 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.544 1.718 -8.036 1.00 0.00 C ATOM 899 CG2 ILE A 567 -15.008 1.438 -8.304 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.580 2.279 -6.638 1.00 0.00 C ATOM 0 H ILE A 567 -11.561 -0.383 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 567 -14.036 -0.044 -6.329 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.509 0.293 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.585 1.227 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.606 2.539 -8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -15.003 2.239 -9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.799 0.728 -8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -15.187 1.858 -7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.754 2.978 -6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.525 2.799 -6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.487 1.466 -5.917 1.00 0.00 H new ATOM 912 N LYS A 568 -13.940 -2.455 -8.532 1.00 0.00 N ATOM 913 CA LYS A 568 -14.693 -3.582 -9.055 1.00 0.00 C ATOM 914 C LYS A 568 -14.995 -4.588 -7.955 1.00 0.00 C ATOM 915 O LYS A 568 -16.089 -5.134 -7.900 1.00 0.00 O ATOM 916 CB LYS A 568 -13.978 -4.241 -10.234 1.00 0.00 C ATOM 917 CG LYS A 568 -12.559 -4.651 -9.929 1.00 0.00 C ATOM 918 CD LYS A 568 -11.872 -5.258 -11.141 1.00 0.00 C ATOM 919 CE LYS A 568 -11.813 -4.278 -12.301 1.00 0.00 C ATOM 920 NZ LYS A 568 -11.039 -4.820 -13.446 1.00 0.00 N ATOM 0 H LYS A 568 -12.952 -2.440 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.642 -3.200 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.542 -5.120 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.974 -3.551 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.995 -3.782 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.557 -5.372 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.861 -5.564 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.406 -6.157 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.826 -4.041 -12.627 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -11.359 -3.345 -11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -11.135 -4.183 -14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -10.036 -4.895 -13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -11.403 -5.762 -13.696 1.00 0.00 H new ATOM 934 N TYR A 569 -14.047 -4.795 -7.045 1.00 0.00 N ATOM 935 CA TYR A 569 -14.202 -5.779 -5.984 1.00 0.00 C ATOM 936 C TYR A 569 -15.351 -5.377 -5.074 1.00 0.00 C ATOM 937 O TYR A 569 -16.169 -6.208 -4.686 1.00 0.00 O ATOM 938 CB TYR A 569 -12.903 -5.901 -5.176 1.00 0.00 C ATOM 939 CG TYR A 569 -12.905 -7.027 -4.160 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.503 -6.872 -2.916 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.301 -8.244 -4.449 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.501 -7.898 -1.988 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.294 -9.277 -3.530 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.896 -9.100 -2.300 1.00 0.00 C ATOM 945 OH TYR A 569 -12.893 -10.124 -1.378 1.00 0.00 O ATOM 0 H TYR A 569 -13.161 -4.291 -7.024 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.424 -6.749 -6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -12.072 -6.051 -5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.721 -4.960 -4.658 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -13.978 -5.934 -2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.828 -8.386 -5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -13.970 -7.760 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.820 -10.217 -3.773 1.00 0.00 H new ATOM 0 HH TYR A 569 -12.888 -10.985 -1.846 1.00 0.00 H new ATOM 955 N LEU A 570 -15.417 -4.090 -4.769 1.00 0.00 N ATOM 956 CA LEU A 570 -16.432 -3.559 -3.873 1.00 0.00 C ATOM 957 C LEU A 570 -17.809 -3.663 -4.511 1.00 0.00 C ATOM 958 O LEU A 570 -18.797 -3.958 -3.848 1.00 0.00 O ATOM 959 CB LEU A 570 -16.124 -2.098 -3.546 1.00 0.00 C ATOM 960 CG LEU A 570 -14.677 -1.808 -3.147 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.502 -0.340 -2.814 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.256 -2.675 -1.974 1.00 0.00 C ATOM 0 H LEU A 570 -14.773 -3.388 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.426 -4.144 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.373 -1.488 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.778 -1.779 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.035 -2.049 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.466 -0.152 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.756 0.264 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.158 -0.074 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.223 -2.451 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.903 -2.471 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.340 -3.726 -2.250 1.00 0.00 H new ATOM 974 N SER A 571 -17.852 -3.414 -5.807 1.00 0.00 N ATOM 975 CA SER A 571 -19.093 -3.444 -6.562 1.00 0.00 C ATOM 976 C SER A 571 -19.595 -4.877 -6.761 1.00 0.00 C ATOM 977 O SER A 571 -20.789 -5.152 -6.643 1.00 0.00 O ATOM 978 CB SER A 571 -18.864 -2.768 -7.911 1.00 0.00 C ATOM 979 OG SER A 571 -18.392 -1.440 -7.737 1.00 0.00 O ATOM 0 H SER A 571 -17.030 -3.186 -6.366 1.00 0.00 H new ATOM 0 HA SER A 571 -19.860 -2.909 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.142 -3.342 -8.492 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.794 -2.756 -8.479 1.00 0.00 H new ATOM 0 HG SER A 571 -17.420 -1.419 -7.861 1.00 0.00 H new ATOM 985 N ARG A 572 -18.669 -5.783 -7.051 1.00 0.00 N ATOM 986 CA ARG A 572 -19.008 -7.172 -7.350 1.00 0.00 C ATOM 987 C ARG A 572 -19.297 -7.960 -6.077 1.00 0.00 C ATOM 988 O ARG A 572 -19.927 -9.019 -6.114 1.00 0.00 O ATOM 989 CB ARG A 572 -17.857 -7.823 -8.115 1.00 0.00 C ATOM 990 CG ARG A 572 -17.553 -7.138 -9.438 1.00 0.00 C ATOM 991 CD ARG A 572 -16.299 -7.699 -10.088 1.00 0.00 C ATOM 992 NE ARG A 572 -16.465 -9.102 -10.457 1.00 0.00 N ATOM 993 CZ ARG A 572 -15.862 -9.685 -11.491 1.00 0.00 C ATOM 994 NH1 ARG A 572 -15.014 -9.001 -12.252 1.00 0.00 N ATOM 995 NH2 ARG A 572 -16.103 -10.962 -11.753 1.00 0.00 N ATOM 0 H ARG A 572 -17.670 -5.580 -7.086 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.911 -7.181 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.962 -7.810 -7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -18.100 -8.869 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -18.399 -7.261 -10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.430 -6.068 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -16.057 -7.115 -10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -15.458 -7.600 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 572 -17.085 -9.674 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.820 -8.021 -12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -14.557 -9.456 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -16.747 -11.491 -11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -15.645 -11.416 -12.543 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.835 -7.440 -4.955 1.00 0.00 N ATOM 1010 CA ASN A 573 -19.008 -8.106 -3.674 1.00 0.00 C ATOM 1011 C ASN A 573 -19.820 -7.229 -2.737 1.00 0.00 C ATOM 1012 O ASN A 573 -20.386 -6.220 -3.160 1.00 0.00 O ATOM 1013 CB ASN A 573 -17.644 -8.432 -3.057 1.00 0.00 C ATOM 1014 CG ASN A 573 -16.888 -9.493 -3.837 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -17.000 -10.686 -3.554 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -16.123 -9.069 -4.833 1.00 0.00 N ATOM 0 H ASN A 573 -18.334 -6.553 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.547 -9.040 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -17.044 -7.523 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -17.786 -8.772 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.601 -9.740 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -16.057 -8.072 -5.036 1.00 0.00 H new ATOM 1023 N VAL A 574 -19.907 -7.624 -1.478 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.595 -6.818 -0.484 1.00 0.00 C ATOM 1025 C VAL A 574 -19.603 -6.319 0.557 1.00 0.00 C ATOM 1026 O VAL A 574 -18.999 -7.112 1.281 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.716 -7.620 0.213 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -22.418 -6.776 1.264 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.716 -8.135 -0.810 1.00 0.00 C ATOM 0 H VAL A 574 -19.512 -8.494 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 574 -21.049 -5.970 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 574 -21.259 -8.473 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -23.203 -7.365 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.697 -6.458 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.859 -5.899 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -23.499 -8.698 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -23.160 -7.293 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -22.206 -8.784 -1.522 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.441 -5.002 0.625 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.509 -4.383 1.559 1.00 0.00 C ATOM 1041 C VAL A 575 -19.076 -3.056 2.061 1.00 0.00 C ATOM 1042 O VAL A 575 -19.179 -2.088 1.303 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.125 -4.121 0.915 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.134 -3.647 1.959 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.582 -5.356 0.215 1.00 0.00 C ATOM 0 H VAL A 575 -19.948 -4.338 0.039 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.376 -5.080 2.387 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.262 -3.342 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.167 -3.468 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.495 -2.723 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.026 -4.409 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.610 -5.128 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.474 -6.166 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -17.272 -5.661 -0.572 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.454 -3.015 3.333 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.052 -1.817 3.915 1.00 0.00 C ATOM 1057 C HIS A 576 -19.099 -1.138 4.894 1.00 0.00 C ATOM 1058 O HIS A 576 -19.189 0.068 5.127 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.371 -2.160 4.620 1.00 0.00 C ATOM 1060 CG HIS A 576 -21.235 -3.161 5.735 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -21.267 -4.512 5.489 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -21.073 -2.959 7.067 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -21.123 -5.100 6.664 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -21.004 -4.199 7.649 1.00 0.00 N ATOM 0 H HIS A 576 -19.358 -3.796 3.982 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.255 -1.122 3.100 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.804 -1.244 5.021 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -22.073 -2.548 3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -21.010 -2.006 7.571 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -21.104 -6.170 6.811 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -20.885 -4.398 8.642 1.00 0.00 H new ATOM 1072 N SER A 577 -18.191 -1.913 5.470 1.00 0.00 N ATOM 1073 CA SER A 577 -17.258 -1.381 6.448 1.00 0.00 C ATOM 1074 C SER A 577 -16.257 -0.447 5.781 1.00 0.00 C ATOM 1075 O SER A 577 -15.957 0.630 6.291 1.00 0.00 O ATOM 1076 CB SER A 577 -16.527 -2.527 7.146 1.00 0.00 C ATOM 1077 OG SER A 577 -17.445 -3.497 7.625 1.00 0.00 O ATOM 0 H SER A 577 -18.082 -2.909 5.277 1.00 0.00 H new ATOM 0 HA SER A 577 -17.817 -0.811 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 577 -15.828 -2.994 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 577 -15.939 -2.136 7.976 1.00 0.00 H new ATOM 0 HG SER A 577 -16.955 -4.222 8.066 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.740 -0.873 4.643 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.798 -0.053 3.903 1.00 0.00 C ATOM 1085 C VAL A 578 -15.282 0.253 2.492 1.00 0.00 C ATOM 1086 O VAL A 578 -15.850 -0.599 1.809 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.392 -0.687 3.867 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.763 -0.628 5.245 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.442 -2.126 3.378 1.00 0.00 C ATOM 0 H VAL A 578 -15.954 -1.773 4.214 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.730 0.893 4.440 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.784 -0.117 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.771 -1.078 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.680 0.411 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.385 -1.175 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.434 -2.541 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.069 -2.716 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.859 -2.154 2.371 1.00 0.00 H new ATOM 1099 N ARG A 579 -15.074 1.493 2.076 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.414 1.938 0.736 1.00 0.00 C ATOM 1101 C ARG A 579 -14.113 2.235 0.014 1.00 0.00 C ATOM 1102 O ARG A 579 -13.052 2.160 0.631 1.00 0.00 O ATOM 1103 CB ARG A 579 -16.281 3.199 0.784 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.364 3.170 1.853 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.444 2.153 1.532 1.00 0.00 C ATOM 1106 NE ARG A 579 -19.175 2.508 0.318 1.00 0.00 N ATOM 1107 CZ ARG A 579 -20.079 1.728 -0.264 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -20.356 0.533 0.239 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -20.703 2.145 -1.357 1.00 0.00 N ATOM 0 H ARG A 579 -14.663 2.220 2.661 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.983 1.166 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.638 4.062 0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.750 3.341 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.916 2.933 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.812 4.160 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.992 1.168 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -19.139 2.084 2.369 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.979 3.413 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -19.874 0.208 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -21.051 -0.062 -0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.488 3.062 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -21.398 1.549 -1.807 1.00 0.00 H new ATOM 1123 N ARG A 580 -14.167 2.574 -1.269 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.953 2.830 -2.038 1.00 0.00 C ATOM 1125 C ARG A 580 -12.079 3.901 -1.380 1.00 0.00 C ATOM 1126 O ARG A 580 -10.858 3.856 -1.495 1.00 0.00 O ATOM 1127 CB ARG A 580 -13.265 3.216 -3.484 1.00 0.00 C ATOM 1128 CG ARG A 580 -14.074 4.485 -3.637 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.561 4.197 -3.741 1.00 0.00 C ATOM 1130 NE ARG A 580 -16.320 5.407 -4.046 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.645 5.451 -4.166 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -18.372 4.353 -3.995 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -18.245 6.598 -4.456 1.00 0.00 N ATOM 0 H ARG A 580 -15.033 2.678 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.393 1.895 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -12.326 3.332 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.807 2.396 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.889 5.139 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.745 5.021 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.735 3.452 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.916 3.770 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.801 6.275 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.916 3.469 -3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -19.387 4.394 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.691 7.444 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -19.260 6.633 -4.548 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.700 4.861 -0.685 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.989 5.920 0.035 1.00 0.00 C ATOM 1149 C GLU A 581 -11.068 5.401 1.143 1.00 0.00 C ATOM 1150 O GLU A 581 -10.147 6.102 1.566 1.00 0.00 O ATOM 1151 CB GLU A 581 -13.014 6.885 0.638 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.901 6.249 1.700 1.00 0.00 C ATOM 1153 CD GLU A 581 -15.081 7.120 2.076 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.914 7.412 1.194 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -15.188 7.515 3.254 1.00 0.00 O ATOM 0 H GLU A 581 -13.715 4.924 -0.607 1.00 0.00 H new ATOM 0 HA GLU A 581 -11.348 6.421 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -12.488 7.733 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.643 7.279 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -14.265 5.289 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -13.306 6.047 2.591 1.00 0.00 H new ATOM 1162 N HIS A 582 -11.330 4.196 1.621 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.546 3.605 2.701 1.00 0.00 C ATOM 1164 C HIS A 582 -9.272 2.974 2.156 1.00 0.00 C ATOM 1165 O HIS A 582 -8.372 2.593 2.902 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.381 2.580 3.470 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.445 3.206 4.321 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.778 3.086 4.017 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -12.316 3.943 5.449 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.425 3.748 4.961 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.579 4.286 5.851 1.00 0.00 N ATOM 0 H HIS A 582 -12.084 3.602 1.277 1.00 0.00 H new ATOM 0 HA HIS A 582 -10.259 4.396 3.394 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.847 1.895 2.762 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.722 1.985 4.102 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -11.391 4.210 5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.500 3.843 5.009 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.828 4.843 6.669 1.00 0.00 H new ATOM 1179 N PHE A 583 -9.212 2.873 0.844 1.00 0.00 N ATOM 1180 CA PHE A 583 -8.083 2.252 0.176 1.00 0.00 C ATOM 1181 C PHE A 583 -7.239 3.321 -0.495 1.00 0.00 C ATOM 1182 O PHE A 583 -7.754 4.147 -1.247 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.553 1.224 -0.856 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.451 0.161 -0.286 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.936 -0.862 0.485 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.810 0.188 -0.527 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.760 -1.837 1.006 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.643 -0.783 -0.011 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.116 -1.798 0.757 1.00 0.00 C ATOM 0 H PHE A 583 -9.937 3.215 0.214 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.482 1.729 0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -9.081 1.742 -1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.681 0.748 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.875 -0.899 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -11.228 0.982 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.344 -2.631 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.704 -0.748 -0.208 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.763 -2.561 1.163 1.00 0.00 H new ATOM 1199 N SER A 584 -5.947 3.330 -0.214 1.00 0.00 N ATOM 1200 CA SER A 584 -5.062 4.326 -0.778 1.00 0.00 C ATOM 1201 C SER A 584 -3.784 3.661 -1.251 1.00 0.00 C ATOM 1202 O SER A 584 -3.174 2.880 -0.518 1.00 0.00 O ATOM 1203 CB SER A 584 -4.745 5.401 0.257 1.00 0.00 C ATOM 1204 OG SER A 584 -5.931 6.016 0.715 1.00 0.00 O ATOM 0 H SER A 584 -5.491 2.657 0.402 1.00 0.00 H new ATOM 0 HA SER A 584 -5.555 4.800 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 584 -4.211 4.958 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 584 -4.086 6.151 -0.180 1.00 0.00 H new ATOM 0 HG SER A 584 -6.313 6.565 -0.002 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.372 3.977 -2.464 1.00 0.00 N ATOM 1211 CA PHE A 585 -2.205 3.343 -3.046 1.00 0.00 C ATOM 1212 C PHE A 585 -0.991 4.257 -3.013 1.00 0.00 C ATOM 1213 O PHE A 585 0.086 3.890 -3.484 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.508 2.888 -4.467 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.366 1.662 -4.507 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.834 0.445 -4.141 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.693 1.718 -4.900 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.595 -0.697 -4.163 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.466 0.571 -4.924 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.910 -0.640 -4.555 1.00 0.00 C ATOM 0 H PHE A 585 -3.826 4.666 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.962 2.468 -2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -3.007 3.694 -5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.572 2.689 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.801 0.389 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -5.127 2.664 -5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -3.159 -1.641 -3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.501 0.621 -5.230 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.508 -1.539 -4.575 1.00 0.00 H new ATOM 1230 N SER A 586 -1.179 5.455 -2.485 1.00 0.00 N ATOM 1231 CA SER A 586 -0.072 6.357 -2.230 1.00 0.00 C ATOM 1232 C SER A 586 0.891 5.755 -1.203 1.00 0.00 C ATOM 1233 O SER A 586 0.514 5.515 -0.050 1.00 0.00 O ATOM 1234 CB SER A 586 -0.611 7.694 -1.728 1.00 0.00 C ATOM 1235 OG SER A 586 -1.551 8.228 -2.643 1.00 0.00 O ATOM 0 H SER A 586 -2.093 5.825 -2.224 1.00 0.00 H new ATOM 0 HA SER A 586 0.477 6.514 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 586 -1.080 7.560 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.212 8.396 -1.592 1.00 0.00 H new ATOM 0 HG SER A 586 -1.887 9.084 -2.304 1.00 0.00 H new ATOM 1241 N PRO A 587 2.152 5.507 -1.604 1.00 0.00 N ATOM 1242 CA PRO A 587 3.176 4.939 -0.718 1.00 0.00 C ATOM 1243 C PRO A 587 3.715 5.968 0.268 1.00 0.00 C ATOM 1244 O PRO A 587 4.710 5.734 0.948 1.00 0.00 O ATOM 1245 CB PRO A 587 4.272 4.509 -1.689 1.00 0.00 C ATOM 1246 CG PRO A 587 4.161 5.483 -2.806 1.00 0.00 C ATOM 1247 CD PRO A 587 2.688 5.753 -2.960 1.00 0.00 C ATOM 0 HA PRO A 587 2.787 4.128 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.256 4.546 -1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.121 3.486 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 587 4.707 6.400 -2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.583 5.076 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.499 6.775 -3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.233 5.092 -3.698 1.00 0.00 H new ATOM 1255 N ARG A 588 3.041 7.107 0.344 1.00 0.00 N ATOM 1256 CA ARG A 588 3.397 8.163 1.274 1.00 0.00 C ATOM 1257 C ARG A 588 2.468 8.095 2.475 1.00 0.00 C ATOM 1258 O ARG A 588 2.526 8.923 3.384 1.00 0.00 O ATOM 1259 CB ARG A 588 3.294 9.527 0.584 1.00 0.00 C ATOM 1260 CG ARG A 588 4.027 9.579 -0.748 1.00 0.00 C ATOM 1261 CD ARG A 588 3.921 10.944 -1.407 1.00 0.00 C ATOM 1262 NE ARG A 588 4.412 10.912 -2.784 1.00 0.00 N ATOM 1263 CZ ARG A 588 4.640 11.995 -3.528 1.00 0.00 C ATOM 1264 NH1 ARG A 588 4.491 13.208 -3.012 1.00 0.00 N ATOM 1265 NH2 ARG A 588 5.036 11.858 -4.786 1.00 0.00 N ATOM 0 H ARG A 588 2.232 7.323 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 588 4.426 8.032 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.243 9.768 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.699 10.293 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.077 9.333 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 588 3.617 8.822 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 588 2.882 11.275 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 588 4.493 11.672 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 588 4.592 10.000 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 588 4.200 13.317 -2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 588 4.667 14.032 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 588 5.165 10.927 -5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 588 5.211 12.684 -5.358 1.00 0.00 H new ATOM 1279 N MET A 589 1.596 7.097 2.445 1.00 0.00 N ATOM 1280 CA MET A 589 0.682 6.832 3.544 1.00 0.00 C ATOM 1281 C MET A 589 1.237 5.728 4.436 1.00 0.00 C ATOM 1282 O MET A 589 1.200 4.551 4.071 1.00 0.00 O ATOM 1283 CB MET A 589 -0.692 6.427 3.008 1.00 0.00 C ATOM 1284 CG MET A 589 -1.759 6.375 4.077 1.00 0.00 C ATOM 1285 SD MET A 589 -2.066 7.975 4.844 1.00 0.00 S ATOM 1286 CE MET A 589 -2.760 8.884 3.466 1.00 0.00 C ATOM 0 H MET A 589 1.503 6.451 1.661 1.00 0.00 H new ATOM 0 HA MET A 589 0.575 7.743 4.132 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.996 7.133 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.615 5.449 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.686 6.004 3.639 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.461 5.661 4.845 1.00 0.00 H new ATOM 0 HE1 MET A 589 -3.165 9.831 3.822 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.981 9.076 2.728 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.557 8.298 3.008 1.00 0.00 H new ATOM 1296 N PRO A 590 1.763 6.093 5.613 1.00 0.00 N ATOM 1297 CA PRO A 590 2.384 5.144 6.536 1.00 0.00 C ATOM 1298 C PRO A 590 1.363 4.399 7.390 1.00 0.00 C ATOM 1299 O PRO A 590 1.251 4.633 8.592 1.00 0.00 O ATOM 1300 CB PRO A 590 3.259 6.046 7.404 1.00 0.00 C ATOM 1301 CG PRO A 590 2.531 7.347 7.451 1.00 0.00 C ATOM 1302 CD PRO A 590 1.795 7.474 6.142 1.00 0.00 C ATOM 0 HA PRO A 590 2.930 4.357 6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.390 5.629 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.254 6.164 6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.836 7.372 8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 590 3.226 8.176 7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.790 7.869 6.286 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.309 8.151 5.459 1.00 0.00 H new ATOM 1310 N VAL A 591 0.609 3.508 6.765 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.455 2.812 7.470 1.00 0.00 C ATOM 1312 C VAL A 591 -0.124 1.359 7.801 1.00 0.00 C ATOM 1313 O VAL A 591 0.086 1.044 8.971 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.783 2.919 6.708 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.848 2.052 7.349 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -2.220 4.365 6.698 1.00 0.00 C ATOM 0 H VAL A 591 0.712 3.252 5.783 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.560 3.318 8.430 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.641 2.566 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.779 2.146 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.523 1.011 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -3.009 2.374 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -3.163 4.456 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -2.352 4.712 7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -1.460 4.971 6.205 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.068 0.460 6.816 1.00 0.00 N ATOM 1327 CA GLY A 592 0.093 -0.942 7.134 1.00 0.00 C ATOM 1328 C GLY A 592 1.540 -1.351 7.192 1.00 0.00 C ATOM 1329 O GLY A 592 2.274 -0.945 8.091 1.00 0.00 O ATOM 0 H GLY A 592 -0.131 0.678 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.380 -1.152 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.423 -1.544 6.386 1.00 0.00 H new ATOM 1333 N ASP A 593 1.960 -2.135 6.219 1.00 0.00 N ATOM 1334 CA ASP A 593 3.300 -2.662 6.212 1.00 0.00 C ATOM 1335 C ASP A 593 4.125 -2.010 5.114 1.00 0.00 C ATOM 1336 O ASP A 593 3.645 -1.767 4.017 1.00 0.00 O ATOM 1337 CB ASP A 593 3.281 -4.185 6.034 1.00 0.00 C ATOM 1338 CG ASP A 593 2.617 -4.912 7.192 1.00 0.00 C ATOM 1339 OD1 ASP A 593 1.369 -4.903 7.272 1.00 0.00 O ATOM 1340 OD2 ASP A 593 3.336 -5.506 8.025 1.00 0.00 O ATOM 0 H ASP A 593 1.388 -2.419 5.424 1.00 0.00 H new ATOM 0 HA ASP A 593 3.761 -2.433 7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.757 -4.430 5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.304 -4.545 5.925 1.00 0.00 H new ATOM 1345 N PHE A 594 5.355 -1.717 5.455 1.00 0.00 N ATOM 1346 CA PHE A 594 6.308 -1.124 4.515 1.00 0.00 C ATOM 1347 C PHE A 594 7.525 -2.010 4.332 1.00 0.00 C ATOM 1348 O PHE A 594 8.092 -2.500 5.305 1.00 0.00 O ATOM 1349 CB PHE A 594 6.745 0.264 4.982 1.00 0.00 C ATOM 1350 CG PHE A 594 5.844 1.373 4.520 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.556 1.499 5.014 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.294 2.294 3.588 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.734 2.522 4.585 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.477 3.319 3.156 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.196 3.434 3.656 1.00 0.00 C ATOM 0 H PHE A 594 5.736 -1.878 6.388 1.00 0.00 H new ATOM 0 HA PHE A 594 5.800 -1.030 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 594 6.787 0.273 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.756 0.456 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.191 0.790 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.296 2.209 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 594 2.731 2.609 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 594 5.840 4.030 2.428 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.555 4.236 3.321 1.00 0.00 H new ATOM 1365 N PHE A 595 7.915 -2.232 3.080 1.00 0.00 N ATOM 1366 CA PHE A 595 9.079 -3.048 2.775 1.00 0.00 C ATOM 1367 C PHE A 595 9.995 -2.331 1.792 1.00 0.00 C ATOM 1368 O PHE A 595 9.557 -1.482 1.017 1.00 0.00 O ATOM 1369 CB PHE A 595 8.646 -4.390 2.174 1.00 0.00 C ATOM 1370 CG PHE A 595 7.509 -5.032 2.908 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.202 -4.726 2.572 1.00 0.00 C ATOM 1372 CD2 PHE A 595 7.741 -5.924 3.942 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.150 -5.296 3.248 1.00 0.00 C ATOM 1374 CE2 PHE A 595 6.687 -6.497 4.625 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.389 -6.179 4.275 1.00 0.00 C ATOM 0 H PHE A 595 7.438 -1.856 2.260 1.00 0.00 H new ATOM 0 HA PHE A 595 9.620 -3.224 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.357 -4.238 1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.498 -5.070 2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.006 -4.031 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 595 8.755 -6.173 4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.135 -5.050 2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 595 6.877 -7.191 5.430 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.562 -6.624 4.808 1.00 0.00 H new ATOM 1385 N GLU A 596 11.259 -2.698 1.833 1.00 0.00 N ATOM 1386 CA GLU A 596 12.254 -2.143 0.935 1.00 0.00 C ATOM 1387 C GLU A 596 13.056 -3.275 0.313 1.00 0.00 C ATOM 1388 O GLU A 596 13.567 -4.138 1.031 1.00 0.00 O ATOM 1389 CB GLU A 596 13.184 -1.203 1.706 1.00 0.00 C ATOM 1390 CG GLU A 596 14.402 -0.761 0.909 1.00 0.00 C ATOM 1391 CD GLU A 596 15.350 0.102 1.711 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.124 -0.446 2.529 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.325 1.333 1.536 1.00 0.00 O ATOM 0 H GLU A 596 11.627 -3.388 2.488 1.00 0.00 H new ATOM 0 HA GLU A 596 11.758 -1.576 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.622 -0.321 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.517 -1.702 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 596 14.935 -1.642 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.073 -0.209 0.029 1.00 0.00 H new ATOM 1400 N GLU A 597 13.153 -3.304 -1.011 1.00 0.00 N ATOM 1401 CA GLU A 597 13.901 -4.335 -1.701 1.00 0.00 C ATOM 1402 C GLU A 597 15.388 -4.062 -1.537 1.00 0.00 C ATOM 1403 O GLU A 597 15.887 -3.006 -1.927 1.00 0.00 O ATOM 1404 CB GLU A 597 13.533 -4.352 -3.188 1.00 0.00 C ATOM 1405 CG GLU A 597 14.418 -5.255 -4.031 1.00 0.00 C ATOM 1406 CD GLU A 597 14.055 -5.221 -5.502 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.575 -4.349 -6.232 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.260 -6.077 -5.940 1.00 0.00 O ATOM 0 H GLU A 597 12.718 -2.618 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 597 13.656 -5.308 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.497 -4.675 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.591 -3.336 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.458 -4.953 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.339 -6.279 -3.665 1.00 0.00 H new ATOM 1415 N ARG A 598 16.080 -5.012 -0.945 1.00 0.00 N ATOM 1416 CA ARG A 598 17.470 -4.837 -0.579 1.00 0.00 C ATOM 1417 C ARG A 598 18.265 -6.085 -0.932 1.00 0.00 C ATOM 1418 O ARG A 598 17.698 -7.177 -1.043 1.00 0.00 O ATOM 1419 CB ARG A 598 17.538 -4.534 0.925 1.00 0.00 C ATOM 1420 CG ARG A 598 18.919 -4.637 1.553 1.00 0.00 C ATOM 1421 CD ARG A 598 18.863 -4.277 3.027 1.00 0.00 C ATOM 1422 NE ARG A 598 20.044 -4.722 3.758 1.00 0.00 N ATOM 1423 CZ ARG A 598 20.257 -4.468 5.048 1.00 0.00 C ATOM 1424 NH1 ARG A 598 19.427 -3.681 5.723 1.00 0.00 N ATOM 1425 NH2 ARG A 598 21.316 -4.983 5.655 1.00 0.00 N ATOM 0 H ARG A 598 15.696 -5.926 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 598 17.909 -4.006 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.156 -3.527 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 598 16.869 -5.219 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.304 -5.650 1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.610 -3.971 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.762 -3.197 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 598 17.974 -4.724 3.473 1.00 0.00 H new ATOM 0 HE ARG A 598 20.748 -5.259 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 598 18.621 -3.268 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 598 19.595 -3.490 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 598 21.966 -5.572 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 598 21.482 -4.790 6.643 1.00 0.00 H new ATOM 1439 N ASP A 599 19.571 -5.933 -1.106 1.00 0.00 N ATOM 1440 CA ASP A 599 20.429 -7.067 -1.389 1.00 0.00 C ATOM 1441 C ASP A 599 21.152 -7.519 -0.143 1.00 0.00 C ATOM 1442 O ASP A 599 21.545 -6.719 0.707 1.00 0.00 O ATOM 1443 CB ASP A 599 21.446 -6.731 -2.469 1.00 0.00 C ATOM 1444 CG ASP A 599 22.203 -7.950 -2.956 1.00 0.00 C ATOM 1445 OD1 ASP A 599 21.615 -8.766 -3.692 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.398 -8.093 -2.615 1.00 0.00 O ATOM 0 H ASP A 599 20.055 -5.037 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 599 19.791 -7.875 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 599 20.935 -6.265 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 599 22.154 -5.999 -2.081 1.00 0.00 H new ATOM 1451 N THR A 600 21.299 -8.812 -0.051 1.00 0.00 N ATOM 1452 CA THR A 600 21.920 -9.461 1.084 1.00 0.00 C ATOM 1453 C THR A 600 22.875 -10.530 0.586 1.00 0.00 C ATOM 1454 O THR A 600 22.820 -10.914 -0.584 1.00 0.00 O ATOM 1455 CB THR A 600 20.848 -10.108 1.984 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.323 -11.268 1.341 1.00 0.00 O ATOM 1457 CG2 THR A 600 19.711 -9.140 2.242 1.00 0.00 C ATOM 0 H THR A 600 20.987 -9.461 -0.773 1.00 0.00 H new ATOM 0 HA THR A 600 22.465 -8.717 1.666 1.00 0.00 H new ATOM 0 HB THR A 600 21.313 -10.377 2.933 1.00 0.00 H new ATOM 0 HG1 THR A 600 19.722 -10.996 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 600 18.965 -9.616 2.879 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.097 -8.249 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.252 -8.857 1.295 1.00 0.00 H new ATOM 1465 N PRO A 601 23.763 -11.022 1.452 1.00 0.00 N ATOM 1466 CA PRO A 601 24.692 -12.104 1.111 1.00 0.00 C ATOM 1467 C PRO A 601 23.977 -13.388 0.678 1.00 0.00 C ATOM 1468 O PRO A 601 24.591 -14.281 0.096 1.00 0.00 O ATOM 1469 CB PRO A 601 25.475 -12.328 2.408 1.00 0.00 C ATOM 1470 CG PRO A 601 24.637 -11.717 3.475 1.00 0.00 C ATOM 1471 CD PRO A 601 23.965 -10.550 2.827 1.00 0.00 C ATOM 0 HA PRO A 601 25.321 -11.841 0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 601 25.637 -13.390 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.458 -11.859 2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 601 23.906 -12.429 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.247 -11.400 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.022 -10.303 3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.585 -9.654 2.861 1.00 0.00 H new ATOM 1479 N GLU A 602 22.677 -13.471 0.954 1.00 0.00 N ATOM 1480 CA GLU A 602 21.880 -14.611 0.514 1.00 0.00 C ATOM 1481 C GLU A 602 21.145 -14.274 -0.784 1.00 0.00 C ATOM 1482 O GLU A 602 20.702 -15.161 -1.513 1.00 0.00 O ATOM 1483 CB GLU A 602 20.882 -15.031 1.602 1.00 0.00 C ATOM 1484 CG GLU A 602 19.696 -14.097 1.753 1.00 0.00 C ATOM 1485 CD GLU A 602 18.689 -14.577 2.774 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.833 -14.227 3.966 1.00 0.00 O ATOM 1487 OE2 GLU A 602 17.735 -15.287 2.387 1.00 0.00 O ATOM 0 H GLU A 602 22.157 -12.766 1.477 1.00 0.00 H new ATOM 0 HA GLU A 602 22.552 -15.449 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 602 20.515 -16.032 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.406 -15.092 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.054 -13.109 2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.202 -13.988 0.788 1.00 0.00 H new ATOM 1494 N GLY A 603 21.040 -12.984 -1.072 1.00 0.00 N ATOM 1495 CA GLY A 603 20.344 -12.558 -2.261 1.00 0.00 C ATOM 1496 C GLY A 603 19.438 -11.379 -2.028 1.00 0.00 C ATOM 1497 O GLY A 603 19.538 -10.692 -1.016 1.00 0.00 O ATOM 0 H GLY A 603 21.424 -12.230 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.074 -12.301 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.755 -13.390 -2.647 1.00 0.00 H new ATOM 1501 N LEU A 604 18.560 -11.141 -2.975 1.00 0.00 N ATOM 1502 CA LEU A 604 17.594 -10.069 -2.862 1.00 0.00 C ATOM 1503 C LEU A 604 16.396 -10.522 -2.051 1.00 0.00 C ATOM 1504 O LEU A 604 15.733 -11.506 -2.383 1.00 0.00 O ATOM 1505 CB LEU A 604 17.150 -9.593 -4.243 1.00 0.00 C ATOM 1506 CG LEU A 604 18.210 -8.823 -5.027 1.00 0.00 C ATOM 1507 CD1 LEU A 604 17.813 -8.700 -6.488 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.424 -7.444 -4.421 1.00 0.00 C ATOM 0 H LEU A 604 18.494 -11.679 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 604 18.069 -9.233 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 604 16.843 -10.459 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.271 -8.958 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 604 19.146 -9.378 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.582 -8.148 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.708 -9.695 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 604 16.864 -8.169 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.183 -6.909 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.488 -6.885 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.754 -7.548 -3.388 1.00 0.00 H new ATOM 1520 N GLN A 605 16.134 -9.801 -0.987 1.00 0.00 N ATOM 1521 CA GLN A 605 14.984 -10.085 -0.146 1.00 0.00 C ATOM 1522 C GLN A 605 14.310 -8.781 0.223 1.00 0.00 C ATOM 1523 O GLN A 605 14.964 -7.736 0.279 1.00 0.00 O ATOM 1524 CB GLN A 605 15.374 -10.857 1.104 1.00 0.00 C ATOM 1525 CG GLN A 605 16.258 -10.086 2.053 1.00 0.00 C ATOM 1526 CD GLN A 605 16.830 -10.991 3.104 1.00 0.00 C ATOM 1527 OE1 GLN A 605 17.927 -11.623 2.762 1.00 0.00 O flip ATOM 1528 NE2 GLN A 605 16.278 -11.147 4.191 1.00 0.00 N flip ATOM 0 H GLN A 605 16.700 -9.011 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 605 14.292 -10.715 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.468 -11.157 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 605 15.888 -11.772 0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.066 -9.610 1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.684 -9.290 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 605 15.426 -10.631 4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 605 16.672 -11.792 4.875 1.00 0.00 H new ATOM 1537 N TRP A 606 13.010 -8.821 0.449 1.00 0.00 N ATOM 1538 CA TRP A 606 12.268 -7.624 0.771 1.00 0.00 C ATOM 1539 C TRP A 606 12.299 -7.424 2.274 1.00 0.00 C ATOM 1540 O TRP A 606 11.692 -8.192 3.021 1.00 0.00 O ATOM 1541 CB TRP A 606 10.822 -7.738 0.282 1.00 0.00 C ATOM 1542 CG TRP A 606 10.669 -7.457 -1.178 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.773 -8.342 -2.211 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.385 -6.189 -1.762 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.573 -7.691 -3.406 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.331 -6.365 -3.155 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.170 -4.919 -1.234 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.073 -5.309 -4.028 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 9.916 -3.878 -2.094 1.00 0.00 C ATOM 1550 CH2 TRP A 606 9.867 -4.072 -3.475 1.00 0.00 C ATOM 0 H TRP A 606 12.449 -9.672 0.415 1.00 0.00 H new ATOM 0 HA TRP A 606 12.724 -6.768 0.273 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.452 -8.742 0.493 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.199 -7.044 0.846 1.00 0.00 H new ATOM 0 HD1 TRP A 606 10.981 -9.397 -2.106 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.600 -8.124 -4.329 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.202 -4.755 -0.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.037 -5.460 -5.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 9.751 -2.889 -1.693 1.00 0.00 H new ATOM 0 HH2 TRP A 606 9.663 -3.231 -4.121 1.00 0.00 H new ATOM 1561 N VAL A 607 13.014 -6.406 2.720 1.00 0.00 N ATOM 1562 CA VAL A 607 13.166 -6.163 4.141 1.00 0.00 C ATOM 1563 C VAL A 607 12.120 -5.179 4.627 1.00 0.00 C ATOM 1564 O VAL A 607 11.935 -4.109 4.050 1.00 0.00 O ATOM 1565 CB VAL A 607 14.575 -5.620 4.470 1.00 0.00 C ATOM 1566 CG1 VAL A 607 14.748 -5.422 5.970 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.647 -6.554 3.927 1.00 0.00 C ATOM 0 H VAL A 607 13.496 -5.737 2.120 1.00 0.00 H new ATOM 0 HA VAL A 607 13.032 -7.116 4.652 1.00 0.00 H new ATOM 0 HB VAL A 607 14.684 -4.649 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 607 15.748 -5.039 6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.006 -4.709 6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.614 -6.375 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.633 -6.156 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.534 -7.540 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.544 -6.637 2.845 1.00 0.00 H new ATOM 1577 N GLN A 608 11.434 -5.570 5.681 1.00 0.00 N ATOM 1578 CA GLN A 608 10.366 -4.772 6.241 1.00 0.00 C ATOM 1579 C GLN A 608 10.943 -3.580 6.991 1.00 0.00 C ATOM 1580 O GLN A 608 11.920 -3.703 7.731 1.00 0.00 O ATOM 1581 CB GLN A 608 9.482 -5.610 7.164 1.00 0.00 C ATOM 1582 CG GLN A 608 8.334 -4.816 7.761 1.00 0.00 C ATOM 1583 CD GLN A 608 7.231 -5.690 8.311 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.467 -6.802 8.783 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.015 -5.183 8.252 1.00 0.00 N ATOM 0 H GLN A 608 11.601 -6.448 6.172 1.00 0.00 H new ATOM 0 HA GLN A 608 9.745 -4.407 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.081 -6.456 6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.091 -6.020 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.717 -4.179 8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.921 -4.157 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 608 5.868 -4.256 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.222 -5.717 8.607 1.00 0.00 H new ATOM 1594 N LEU A 609 10.341 -2.429 6.769 1.00 0.00 N ATOM 1595 CA LEU A 609 10.781 -1.190 7.375 1.00 0.00 C ATOM 1596 C LEU A 609 9.949 -0.943 8.618 1.00 0.00 C ATOM 1597 O LEU A 609 8.752 -1.236 8.617 1.00 0.00 O ATOM 1598 CB LEU A 609 10.566 -0.037 6.391 1.00 0.00 C ATOM 1599 CG LEU A 609 11.284 -0.177 5.051 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.699 0.785 4.029 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.768 0.080 5.230 1.00 0.00 C ATOM 0 H LEU A 609 9.529 -2.327 6.160 1.00 0.00 H new ATOM 0 HA LEU A 609 11.838 -1.254 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.497 0.063 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 609 10.894 0.888 6.865 1.00 0.00 H new ATOM 0 HG LEU A 609 11.144 -1.193 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.223 0.671 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.641 0.566 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 609 10.813 1.809 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.273 -0.022 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 609 12.919 1.089 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.180 -0.642 5.935 1.00 0.00 H new ATOM 1613 N SER A 610 10.541 -0.414 9.674 1.00 0.00 N ATOM 1614 CA SER A 610 9.801 -0.038 10.856 1.00 0.00 C ATOM 1615 C SER A 610 9.136 1.300 10.604 1.00 0.00 C ATOM 1616 O SER A 610 9.476 1.982 9.634 1.00 0.00 O ATOM 1617 CB SER A 610 10.748 0.060 12.049 1.00 0.00 C ATOM 1618 OG SER A 610 11.651 -1.035 12.070 1.00 0.00 O ATOM 0 H SER A 610 11.544 -0.235 9.732 1.00 0.00 H new ATOM 0 HA SER A 610 9.043 -0.789 11.078 1.00 0.00 H new ATOM 0 HB2 SER A 610 11.305 0.995 12.000 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.173 0.080 12.975 1.00 0.00 H new ATOM 0 HG SER A 610 12.349 -0.896 11.397 1.00 0.00 H new ATOM 1624 N ALA A 611 8.203 1.679 11.462 1.00 0.00 N ATOM 1625 CA ALA A 611 7.501 2.944 11.325 1.00 0.00 C ATOM 1626 C ALA A 611 8.477 4.111 11.207 1.00 0.00 C ATOM 1627 O ALA A 611 8.207 5.080 10.506 1.00 0.00 O ATOM 1628 CB ALA A 611 6.564 3.156 12.504 1.00 0.00 C ATOM 0 H ALA A 611 7.913 1.123 12.267 1.00 0.00 H new ATOM 0 HA ALA A 611 6.914 2.905 10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.044 4.107 12.389 1.00 0.00 H new ATOM 0 HB2 ALA A 611 5.835 2.346 12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.140 3.167 13.429 1.00 0.00 H new ATOM 1634 N GLU A 612 9.608 4.010 11.899 1.00 0.00 N ATOM 1635 CA GLU A 612 10.610 5.072 11.890 1.00 0.00 C ATOM 1636 C GLU A 612 11.355 5.117 10.550 1.00 0.00 C ATOM 1637 O GLU A 612 11.803 6.178 10.117 1.00 0.00 O ATOM 1638 CB GLU A 612 11.609 4.867 13.031 1.00 0.00 C ATOM 1639 CG GLU A 612 10.975 4.941 14.408 1.00 0.00 C ATOM 1640 CD GLU A 612 11.947 4.608 15.519 1.00 0.00 C ATOM 1641 OE1 GLU A 612 12.085 3.412 15.856 1.00 0.00 O ATOM 1642 OE2 GLU A 612 12.564 5.542 16.074 1.00 0.00 O ATOM 0 H GLU A 612 9.854 3.204 12.473 1.00 0.00 H new ATOM 0 HA GLU A 612 10.094 6.022 12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.090 3.896 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.392 5.622 12.959 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.578 5.944 14.567 1.00 0.00 H new ATOM 0 HG3 GLU A 612 10.131 4.253 14.452 1.00 0.00 H new ATOM 1649 N GLU A 613 11.485 3.963 9.899 1.00 0.00 N ATOM 1650 CA GLU A 613 12.187 3.871 8.621 1.00 0.00 C ATOM 1651 C GLU A 613 11.276 4.279 7.471 1.00 0.00 C ATOM 1652 O GLU A 613 11.740 4.758 6.432 1.00 0.00 O ATOM 1653 CB GLU A 613 12.680 2.446 8.387 1.00 0.00 C ATOM 1654 CG GLU A 613 13.665 1.952 9.435 1.00 0.00 C ATOM 1655 CD GLU A 613 13.987 0.481 9.279 1.00 0.00 C ATOM 1656 OE1 GLU A 613 14.859 0.142 8.453 1.00 0.00 O ATOM 1657 OE2 GLU A 613 13.358 -0.346 9.977 1.00 0.00 O ATOM 0 H GLU A 613 11.112 3.076 10.237 1.00 0.00 H new ATOM 0 HA GLU A 613 13.038 4.550 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 613 11.822 1.775 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.152 2.392 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 613 14.586 2.532 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 613 13.252 2.127 10.428 1.00 0.00 H new ATOM 1664 N ILE A 614 9.981 4.059 7.671 1.00 0.00 N ATOM 1665 CA ILE A 614 8.957 4.345 6.668 1.00 0.00 C ATOM 1666 C ILE A 614 9.110 5.735 6.022 1.00 0.00 C ATOM 1667 O ILE A 614 9.284 5.828 4.805 1.00 0.00 O ATOM 1668 CB ILE A 614 7.545 4.217 7.290 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.199 2.749 7.555 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.499 4.873 6.406 1.00 0.00 C ATOM 1671 CD1 ILE A 614 5.809 2.542 8.123 1.00 0.00 C ATOM 0 H ILE A 614 9.608 3.675 8.539 1.00 0.00 H new ATOM 0 HA ILE A 614 9.090 3.607 5.877 1.00 0.00 H new ATOM 0 HB ILE A 614 7.548 4.740 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.288 2.190 6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 614 7.930 2.332 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.516 4.769 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 614 6.734 5.931 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.495 4.391 5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.637 1.478 8.284 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.721 3.072 9.072 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.068 2.928 7.422 1.00 0.00 H new ATOM 1683 N PRO A 615 9.082 6.830 6.814 1.00 0.00 N ATOM 1684 CA PRO A 615 9.127 8.193 6.273 1.00 0.00 C ATOM 1685 C PRO A 615 10.397 8.469 5.484 1.00 0.00 C ATOM 1686 O PRO A 615 10.370 9.202 4.496 1.00 0.00 O ATOM 1687 CB PRO A 615 9.065 9.088 7.514 1.00 0.00 C ATOM 1688 CG PRO A 615 9.463 8.206 8.643 1.00 0.00 C ATOM 1689 CD PRO A 615 8.987 6.839 8.279 1.00 0.00 C ATOM 0 HA PRO A 615 8.313 8.367 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 615 9.739 9.939 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.063 9.490 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.543 8.218 8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.013 8.541 9.578 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.608 6.064 8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 615 7.966 6.665 8.617 1.00 0.00 H new ATOM 1697 N SER A 616 11.500 7.854 5.896 1.00 0.00 N ATOM 1698 CA SER A 616 12.782 8.070 5.241 1.00 0.00 C ATOM 1699 C SER A 616 12.734 7.560 3.804 1.00 0.00 C ATOM 1700 O SER A 616 13.241 8.206 2.885 1.00 0.00 O ATOM 1701 CB SER A 616 13.891 7.368 6.025 1.00 0.00 C ATOM 1702 OG SER A 616 13.835 7.731 7.395 1.00 0.00 O ATOM 0 H SER A 616 11.531 7.202 6.680 1.00 0.00 H new ATOM 0 HA SER A 616 12.994 9.139 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 616 13.788 6.288 5.924 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.863 7.636 5.611 1.00 0.00 H new ATOM 0 HG SER A 616 14.550 7.273 7.884 1.00 0.00 H new ATOM 1708 N ARG A 617 12.082 6.417 3.607 1.00 0.00 N ATOM 1709 CA ARG A 617 11.888 5.864 2.273 1.00 0.00 C ATOM 1710 C ARG A 617 10.870 6.682 1.491 1.00 0.00 C ATOM 1711 O ARG A 617 11.043 6.929 0.295 1.00 0.00 O ATOM 1712 CB ARG A 617 11.447 4.402 2.349 1.00 0.00 C ATOM 1713 CG ARG A 617 12.600 3.412 2.385 1.00 0.00 C ATOM 1714 CD ARG A 617 13.475 3.595 3.613 1.00 0.00 C ATOM 1715 NE ARG A 617 14.529 2.590 3.665 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.240 2.296 4.748 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.092 3.005 5.861 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.113 1.298 4.708 1.00 0.00 N ATOM 0 H ARG A 617 11.679 5.856 4.357 1.00 0.00 H new ATOM 0 HA ARG A 617 12.843 5.910 1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 617 10.834 4.263 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 617 10.815 4.178 1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.205 2.396 2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.207 3.531 1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 617 13.919 4.591 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 617 12.862 3.530 4.512 1.00 0.00 H new ATOM 0 HE ARG A 617 14.736 2.076 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.430 3.780 5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.641 2.774 6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.235 0.761 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 617 16.662 1.067 5.536 1.00 0.00 H new ATOM 1732 N ILE A 618 9.817 7.114 2.182 1.00 0.00 N ATOM 1733 CA ILE A 618 8.770 7.918 1.568 1.00 0.00 C ATOM 1734 C ILE A 618 9.345 9.180 0.940 1.00 0.00 C ATOM 1735 O ILE A 618 8.979 9.541 -0.170 1.00 0.00 O ATOM 1736 CB ILE A 618 7.683 8.319 2.587 1.00 0.00 C ATOM 1737 CG1 ILE A 618 6.945 7.080 3.096 1.00 0.00 C ATOM 1738 CG2 ILE A 618 6.708 9.312 1.970 1.00 0.00 C ATOM 1739 CD1 ILE A 618 5.828 7.396 4.069 1.00 0.00 C ATOM 0 H ILE A 618 9.669 6.918 3.172 1.00 0.00 H new ATOM 0 HA ILE A 618 8.317 7.298 0.794 1.00 0.00 H new ATOM 0 HB ILE A 618 8.167 8.803 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 618 6.532 6.538 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.660 6.415 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 618 5.950 9.582 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.248 10.207 1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.228 8.859 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.350 6.470 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.237 7.910 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.092 8.036 3.582 1.00 0.00 H new ATOM 1751 N GLN A 619 10.258 9.830 1.647 1.00 0.00 N ATOM 1752 CA GLN A 619 10.861 11.077 1.182 1.00 0.00 C ATOM 1753 C GLN A 619 11.558 10.904 -0.165 1.00 0.00 C ATOM 1754 O GLN A 619 11.569 11.819 -0.988 1.00 0.00 O ATOM 1755 CB GLN A 619 11.833 11.626 2.220 1.00 0.00 C ATOM 1756 CG GLN A 619 11.171 11.931 3.553 1.00 0.00 C ATOM 1757 CD GLN A 619 10.002 12.888 3.432 1.00 0.00 C ATOM 1758 OE1 GLN A 619 10.170 14.106 3.479 1.00 0.00 O ATOM 1759 NE2 GLN A 619 8.801 12.345 3.300 1.00 0.00 N ATOM 0 H GLN A 619 10.602 9.513 2.553 1.00 0.00 H new ATOM 0 HA GLN A 619 10.053 11.796 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 619 12.635 10.904 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 619 12.293 12.535 1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 619 10.825 11.000 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 619 11.912 12.356 4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 619 8.701 11.331 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 619 7.976 12.941 3.234 1.00 0.00 H new ATOM 1768 N ALA A 620 12.117 9.727 -0.398 1.00 0.00 N ATOM 1769 CA ALA A 620 12.847 9.459 -1.630 1.00 0.00 C ATOM 1770 C ALA A 620 11.886 9.179 -2.775 1.00 0.00 C ATOM 1771 O ALA A 620 12.054 9.687 -3.884 1.00 0.00 O ATOM 1772 CB ALA A 620 13.798 8.289 -1.437 1.00 0.00 C ATOM 0 H ALA A 620 12.080 8.940 0.250 1.00 0.00 H new ATOM 0 HA ALA A 620 13.430 10.344 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.336 8.101 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 620 14.510 8.526 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.230 7.401 -1.160 1.00 0.00 H new ATOM 1778 N ILE A 621 10.862 8.383 -2.493 1.00 0.00 N ATOM 1779 CA ILE A 621 9.850 8.060 -3.491 1.00 0.00 C ATOM 1780 C ILE A 621 8.865 9.214 -3.633 1.00 0.00 C ATOM 1781 O ILE A 621 7.959 9.187 -4.467 1.00 0.00 O ATOM 1782 CB ILE A 621 9.090 6.764 -3.135 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.445 6.864 -1.750 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.035 5.575 -3.188 1.00 0.00 C ATOM 1785 CD1 ILE A 621 7.620 5.651 -1.381 1.00 0.00 C ATOM 0 H ILE A 621 10.710 7.950 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 621 10.363 7.899 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 621 8.296 6.624 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.226 7.003 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 621 7.810 7.749 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.490 4.665 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.448 5.483 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 621 10.845 5.722 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.193 5.790 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 621 6.817 5.523 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.255 4.765 -1.382 1.00 0.00 H new ATOM 1797 N THR A 622 9.063 10.223 -2.800 1.00 0.00 N ATOM 1798 CA THR A 622 8.272 11.427 -2.822 1.00 0.00 C ATOM 1799 C THR A 622 8.748 12.359 -3.935 1.00 0.00 C ATOM 1800 O THR A 622 7.978 13.170 -4.460 1.00 0.00 O ATOM 1801 CB THR A 622 8.348 12.108 -1.433 1.00 0.00 C ATOM 1802 OG1 THR A 622 7.318 11.595 -0.583 1.00 0.00 O ATOM 1803 CG2 THR A 622 8.256 13.614 -1.519 1.00 0.00 C ATOM 0 H THR A 622 9.789 10.222 -2.083 1.00 0.00 H new ATOM 0 HA THR A 622 7.231 11.182 -3.032 1.00 0.00 H new ATOM 0 HB THR A 622 9.325 11.875 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 622 7.523 10.667 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 622 8.314 14.040 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 622 9.079 13.995 -2.124 1.00 0.00 H new ATOM 0 HG23 THR A 622 7.308 13.895 -1.978 1.00 0.00 H new ATOM 1811 N GLY A 623 10.009 12.201 -4.316 1.00 0.00 N ATOM 1812 CA GLY A 623 10.585 13.021 -5.359 1.00 0.00 C ATOM 1813 C GLY A 623 9.926 12.789 -6.701 1.00 0.00 C ATOM 1814 O GLY A 623 10.185 11.787 -7.366 1.00 0.00 O ATOM 0 H GLY A 623 10.646 11.513 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 623 10.489 14.072 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 623 11.651 12.808 -5.438 1.00 0.00 H new ATOM 1818 N SER A 624 9.059 13.707 -7.086 1.00 0.00 N ATOM 1819 CA SER A 624 8.333 13.597 -8.333 1.00 0.00 C ATOM 1820 C SER A 624 8.810 14.664 -9.309 1.00 0.00 C ATOM 1821 O SER A 624 9.656 14.346 -10.169 1.00 0.00 O ATOM 1822 CB SER A 624 6.835 13.734 -8.065 1.00 0.00 C ATOM 1823 OG SER A 624 6.436 12.850 -7.028 1.00 0.00 O ATOM 1824 OXT SER A 624 8.372 15.826 -9.184 1.00 0.00 O ATOM 0 H SER A 624 8.841 14.544 -6.546 1.00 0.00 H new ATOM 0 HA SER A 624 8.520 12.620 -8.780 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.601 14.761 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.275 13.515 -8.974 1.00 0.00 H new ATOM 0 HG SER A 624 6.878 13.106 -6.192 1.00 0.00 H new TER 1830 SER A 624