USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 776 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 88 HIS :FLIP no HD1:sc= -21.9! C(o=-29!,f=-23!) USER MOD Set 1.2: A 89 THR OG1 : rot -120:sc= -1.71! USER MOD Set 1.3: A 101 TYR OH : rot -83:sc= 1.07 USER MOD Set 2.1: A 21 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -37.5! C(o=-37!,f=-37!) USER MOD Set 3.1: A 41 MET CE :methyl -151:sc= -5.32! (180deg=-6.65!) USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 MET CE :methyl -118:sc= -29.3! (180deg=-30!) USER MOD Set 4.2: A 80 MET CE :methyl 145:sc= -14.6! (180deg=-17.8!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -110:sc= -0.0515 USER MOD Single : A 22 SER OG : rot 73:sc= -2.59! USER MOD Single : A 29 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) USER MOD Single : A 33 SER OG : rot 55:sc= -12.6! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.26! C(o=-5.3!,f=-9.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 63 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-9.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -173:sc= -12.9! USER MOD Single : A 78 SER OG : rot 100:sc= -1.32 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= -13.3! (180deg=-16.7!) USER MOD Single : A 91 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.9!) USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= -0.0607 (180deg=-0.61) USER MOD Single : A 94 THR OG1 : rot -11:sc= 1.93 USER MOD Single : A 96 SER OG : rot 8:sc= 1.16 USER MOD Single : A 98 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.9!) USER MOD Single : A 99 CYS SG : rot 180:sc= 0.00812 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 -1.341 10.147 -5.489 1.00 0.00 N ATOM 2 CA GLU A 12 -0.132 9.539 -6.008 1.00 0.00 C ATOM 3 C GLU A 12 0.714 10.587 -6.717 1.00 0.00 C ATOM 4 O GLU A 12 0.181 11.525 -7.304 1.00 0.00 O ATOM 5 CB GLU A 12 -0.503 8.407 -6.963 1.00 0.00 C ATOM 6 CG GLU A 12 0.665 8.134 -7.905 1.00 0.00 C ATOM 7 CD GLU A 12 0.610 9.051 -9.118 1.00 0.00 C ATOM 8 OE1 GLU A 12 1.288 10.100 -9.067 1.00 0.00 O ATOM 9 OE2 GLU A 12 -0.108 8.686 -10.074 1.00 0.00 O ATOM 0 HA GLU A 12 0.453 9.128 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.748 7.507 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.391 8.676 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.606 8.281 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.640 7.094 -8.229 1.00 0.00 H new ATOM 17 N ALA A 13 2.038 10.424 -6.661 1.00 0.00 N ATOM 18 CA ALA A 13 2.950 11.353 -7.295 1.00 0.00 C ATOM 19 C ALA A 13 4.348 11.179 -6.718 1.00 0.00 C ATOM 20 O ALA A 13 5.313 11.017 -7.462 1.00 0.00 O ATOM 21 CB ALA A 13 2.451 12.780 -7.083 1.00 0.00 C ATOM 0 H ALA A 13 2.495 9.650 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 13 2.993 11.153 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.137 13.480 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.459 12.888 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.400 12.993 -6.015 1.00 0.00 H new ATOM 27 N PRO A 14 4.455 11.213 -5.388 1.00 0.00 N ATOM 28 CA PRO A 14 5.700 11.064 -4.666 1.00 0.00 C ATOM 29 C PRO A 14 6.161 9.615 -4.737 1.00 0.00 C ATOM 30 O PRO A 14 7.200 9.265 -4.183 1.00 0.00 O ATOM 31 CB PRO A 14 5.369 11.464 -3.229 1.00 0.00 C ATOM 32 CG PRO A 14 3.897 11.074 -3.100 1.00 0.00 C ATOM 33 CD PRO A 14 3.341 11.402 -4.484 1.00 0.00 C ATOM 0 HA PRO A 14 6.505 11.674 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.992 10.935 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.521 12.530 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.778 10.019 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.395 11.642 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.509 10.747 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.967 12.425 -4.527 1.00 0.00 H new ATOM 41 N LEU A 15 5.383 8.772 -5.420 1.00 0.00 N ATOM 42 CA LEU A 15 5.713 7.368 -5.558 1.00 0.00 C ATOM 43 C LEU A 15 5.543 6.937 -7.008 1.00 0.00 C ATOM 44 O LEU A 15 5.018 7.692 -7.824 1.00 0.00 O ATOM 45 CB LEU A 15 4.817 6.542 -4.640 1.00 0.00 C ATOM 46 CG LEU A 15 4.690 7.241 -3.290 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.737 6.453 -2.396 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.062 7.320 -2.627 1.00 0.00 C ATOM 0 H LEU A 15 4.518 9.048 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 15 6.752 7.206 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.833 6.417 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.235 5.544 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 15 4.300 8.248 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.646 6.952 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.757 6.397 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.126 5.446 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.972 7.819 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.453 6.313 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.743 7.884 -3.265 1.00 0.00 H new ATOM 60 N THR A 16 5.988 5.720 -7.328 1.00 0.00 N ATOM 61 CA THR A 16 5.879 5.200 -8.676 1.00 0.00 C ATOM 62 C THR A 16 5.827 3.679 -8.642 1.00 0.00 C ATOM 63 O THR A 16 5.025 3.067 -9.345 1.00 0.00 O ATOM 64 CB THR A 16 7.068 5.682 -9.503 1.00 0.00 C ATOM 65 OG1 THR A 16 7.499 6.934 -9.020 1.00 0.00 O ATOM 66 CG2 THR A 16 6.649 5.817 -10.964 1.00 0.00 C ATOM 0 H THR A 16 6.427 5.082 -6.664 1.00 0.00 H new ATOM 0 HA THR A 16 4.960 5.564 -9.136 1.00 0.00 H new ATOM 0 HB THR A 16 7.882 4.962 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.263 7.243 -9.550 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.497 6.161 -11.556 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.315 4.849 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.835 6.537 -11.044 1.00 0.00 H new ATOM 74 N VAL A 17 6.686 3.070 -7.822 1.00 0.00 N ATOM 75 CA VAL A 17 6.734 1.627 -7.700 1.00 0.00 C ATOM 76 C VAL A 17 7.987 1.216 -6.939 1.00 0.00 C ATOM 77 O VAL A 17 7.981 0.216 -6.224 1.00 0.00 O ATOM 78 CB VAL A 17 6.716 0.999 -9.091 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.886 0.028 -9.226 1.00 0.00 C ATOM 80 CG2 VAL A 17 5.405 0.245 -9.291 1.00 0.00 C ATOM 0 H VAL A 17 7.357 3.564 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 17 5.864 1.275 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 17 6.804 1.782 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.874 -0.421 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.823 0.565 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.798 -0.755 -8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.391 -0.204 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.317 -0.538 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.569 0.937 -9.194 1.00 0.00 H new ATOM 90 N LYS A 18 9.062 1.992 -7.092 1.00 0.00 N ATOM 91 CA LYS A 18 10.313 1.705 -6.419 1.00 0.00 C ATOM 92 C LYS A 18 10.690 2.865 -5.508 1.00 0.00 C ATOM 93 O LYS A 18 11.869 3.164 -5.336 1.00 0.00 O ATOM 94 CB LYS A 18 11.403 1.457 -7.457 1.00 0.00 C ATOM 95 CG LYS A 18 11.206 0.079 -8.083 1.00 0.00 C ATOM 96 CD LYS A 18 12.348 -0.840 -7.662 1.00 0.00 C ATOM 97 CE LYS A 18 12.059 -2.261 -8.138 1.00 0.00 C ATOM 98 NZ LYS A 18 13.158 -3.172 -7.778 1.00 0.00 N ATOM 0 H LYS A 18 9.083 2.825 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 18 10.202 0.811 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.368 2.227 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.386 1.519 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.251 -0.342 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.174 0.163 -9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.288 -0.487 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.461 -0.824 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.128 -2.615 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.918 -2.265 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.937 -4.132 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.040 -2.845 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.275 -3.184 -6.745 1.00 0.00 H new ATOM 112 N SER A 19 9.682 3.518 -4.925 1.00 0.00 N ATOM 113 CA SER A 19 9.913 4.639 -4.036 1.00 0.00 C ATOM 114 C SER A 19 10.264 4.131 -2.645 1.00 0.00 C ATOM 115 O SER A 19 9.667 4.555 -1.657 1.00 0.00 O ATOM 116 CB SER A 19 8.666 5.517 -3.992 1.00 0.00 C ATOM 117 OG SER A 19 9.019 6.850 -4.290 1.00 0.00 O ATOM 0 H SER A 19 8.699 3.282 -5.059 1.00 0.00 H new ATOM 0 HA SER A 19 10.748 5.234 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.928 5.156 -4.709 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.205 5.463 -3.006 1.00 0.00 H new ATOM 0 HG SER A 19 8.934 7.399 -3.483 1.00 0.00 H new ATOM 123 N ASP A 20 11.238 3.222 -2.568 1.00 0.00 N ATOM 124 CA ASP A 20 11.663 2.662 -1.300 1.00 0.00 C ATOM 125 C ASP A 20 10.473 2.032 -0.591 1.00 0.00 C ATOM 126 O ASP A 20 9.616 2.739 -0.065 1.00 0.00 O ATOM 127 CB ASP A 20 12.285 3.761 -0.443 1.00 0.00 C ATOM 128 CG ASP A 20 13.803 3.656 -0.442 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.317 2.867 0.379 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.422 4.368 -1.263 1.00 0.00 O ATOM 0 H ASP A 20 11.744 2.862 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 20 12.410 1.887 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.984 4.738 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.911 3.687 0.578 1.00 0.00 H new ATOM 136 N MET A 21 10.421 0.698 -0.576 1.00 0.00 N ATOM 137 CA MET A 21 9.336 -0.016 0.067 1.00 0.00 C ATOM 138 C MET A 21 9.069 0.578 1.442 1.00 0.00 C ATOM 139 O MET A 21 7.971 0.442 1.977 1.00 0.00 O ATOM 140 CB MET A 21 9.696 -1.494 0.178 1.00 0.00 C ATOM 141 CG MET A 21 10.657 -1.697 1.346 1.00 0.00 C ATOM 142 SD MET A 21 12.004 -2.854 0.997 1.00 0.00 S ATOM 143 CE MET A 21 13.310 -1.666 0.597 1.00 0.00 C ATOM 0 H MET A 21 11.124 0.097 -1.006 1.00 0.00 H new ATOM 0 HA MET A 21 8.429 0.080 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.795 -2.089 0.327 1.00 0.00 H new ATOM 0 HB3 MET A 21 10.155 -1.838 -0.749 1.00 0.00 H new ATOM 0 HG2 MET A 21 11.083 -0.733 1.625 1.00 0.00 H new ATOM 0 HG3 MET A 21 10.095 -2.058 2.207 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.010 -2.118 -0.106 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.868 -0.777 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.840 -1.387 1.508 1.00 0.00 H new ATOM 153 N SER A 22 10.078 1.239 2.014 1.00 0.00 N ATOM 154 CA SER A 22 9.946 1.851 3.321 1.00 0.00 C ATOM 155 C SER A 22 9.123 3.127 3.215 1.00 0.00 C ATOM 156 O SER A 22 8.296 3.409 4.079 1.00 0.00 O ATOM 157 CB SER A 22 11.333 2.147 3.885 1.00 0.00 C ATOM 158 OG SER A 22 11.295 2.065 5.292 1.00 0.00 O ATOM 0 H SER A 22 10.995 1.360 1.584 1.00 0.00 H new ATOM 0 HA SER A 22 9.431 1.167 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.058 1.436 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.658 3.140 3.577 1.00 0.00 H new ATOM 0 HG SER A 22 11.216 1.127 5.563 1.00 0.00 H new ATOM 164 N ALA A 23 9.350 3.898 2.149 1.00 0.00 N ATOM 165 CA ALA A 23 8.631 5.137 1.934 1.00 0.00 C ATOM 166 C ALA A 23 7.196 4.836 1.527 1.00 0.00 C ATOM 167 O ALA A 23 6.288 5.606 1.831 1.00 0.00 O ATOM 168 CB ALA A 23 9.339 5.955 0.858 1.00 0.00 C ATOM 0 H ALA A 23 10.031 3.677 1.423 1.00 0.00 H new ATOM 0 HA ALA A 23 8.612 5.716 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.799 6.888 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.357 6.177 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.368 5.386 -0.071 1.00 0.00 H new ATOM 174 N ILE A 24 6.993 3.711 0.836 1.00 0.00 N ATOM 175 CA ILE A 24 5.672 3.313 0.391 1.00 0.00 C ATOM 176 C ILE A 24 4.821 2.922 1.591 1.00 0.00 C ATOM 177 O ILE A 24 3.754 3.492 1.809 1.00 0.00 O ATOM 178 CB ILE A 24 5.796 2.148 -0.587 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.480 2.627 -1.864 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.405 1.617 -0.923 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.627 3.706 -2.525 1.00 0.00 C ATOM 0 H ILE A 24 7.736 3.063 0.576 1.00 0.00 H new ATOM 0 HA ILE A 24 5.187 4.147 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 24 6.389 1.354 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.469 3.022 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.622 1.791 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.492 0.785 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.916 1.275 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.812 2.411 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.116 4.048 -3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.647 3.296 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.508 4.546 -1.840 1.00 0.00 H new ATOM 193 N VAL A 25 5.296 1.948 2.371 1.00 0.00 N ATOM 194 CA VAL A 25 4.578 1.488 3.543 1.00 0.00 C ATOM 195 C VAL A 25 4.378 2.644 4.511 1.00 0.00 C ATOM 196 O VAL A 25 3.292 2.815 5.061 1.00 0.00 O ATOM 197 CB VAL A 25 5.359 0.356 4.204 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.687 -0.024 5.521 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.384 -0.855 3.277 1.00 0.00 C ATOM 0 H VAL A 25 6.179 1.466 2.204 1.00 0.00 H new ATOM 0 HA VAL A 25 3.597 1.112 3.251 1.00 0.00 H new ATOM 0 HB VAL A 25 6.380 0.684 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.244 -0.833 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.670 0.841 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.666 -0.352 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.942 -1.663 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.364 -1.184 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.864 -0.584 2.337 1.00 0.00 H new ATOM 209 N ARG A 26 5.430 3.440 4.719 1.00 0.00 N ATOM 210 CA ARG A 26 5.365 4.573 5.619 1.00 0.00 C ATOM 211 C ARG A 26 4.214 5.485 5.219 1.00 0.00 C ATOM 212 O ARG A 26 3.445 5.926 6.069 1.00 0.00 O ATOM 213 CB ARG A 26 6.691 5.329 5.580 1.00 0.00 C ATOM 214 CG ARG A 26 6.483 6.747 6.103 1.00 0.00 C ATOM 215 CD ARG A 26 6.308 7.703 4.926 1.00 0.00 C ATOM 216 NE ARG A 26 6.416 9.096 5.360 1.00 0.00 N ATOM 217 CZ ARG A 26 6.634 10.107 4.508 1.00 0.00 C ATOM 218 NH1 ARG A 26 6.762 9.862 3.197 1.00 0.00 N ATOM 219 NH2 ARG A 26 6.724 11.363 4.967 1.00 0.00 N ATOM 0 H ARG A 26 6.337 3.312 4.270 1.00 0.00 H new ATOM 0 HA ARG A 26 5.189 4.224 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.435 4.812 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.075 5.359 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.605 6.783 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.336 7.051 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.064 7.495 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.336 7.538 4.460 1.00 0.00 H new ATOM 0 HE ARG A 26 6.321 9.307 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.693 8.906 2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.928 10.631 2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.627 11.549 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.890 12.132 4.318 1.00 0.00 H new ATOM 233 N VAL A 27 4.097 5.765 3.918 1.00 0.00 N ATOM 234 CA VAL A 27 3.042 6.620 3.412 1.00 0.00 C ATOM 235 C VAL A 27 1.685 6.042 3.789 1.00 0.00 C ATOM 236 O VAL A 27 0.936 6.655 4.546 1.00 0.00 O ATOM 237 CB VAL A 27 3.174 6.747 1.898 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.794 6.958 1.282 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.067 7.939 1.564 1.00 0.00 C ATOM 0 H VAL A 27 4.727 5.406 3.201 1.00 0.00 H new ATOM 0 HA VAL A 27 3.128 7.612 3.855 1.00 0.00 H new ATOM 0 HB VAL A 27 3.616 5.836 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.889 7.049 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.155 6.108 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.351 7.869 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.162 8.031 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.624 8.850 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.053 7.789 2.003 1.00 0.00 H new ATOM 249 N MET A 28 1.370 4.858 3.259 1.00 0.00 N ATOM 250 CA MET A 28 0.107 4.208 3.542 1.00 0.00 C ATOM 251 C MET A 28 -0.249 4.384 5.011 1.00 0.00 C ATOM 252 O MET A 28 -1.399 4.661 5.345 1.00 0.00 O ATOM 253 CB MET A 28 0.207 2.727 3.185 1.00 0.00 C ATOM 254 CG MET A 28 0.747 2.581 1.766 1.00 0.00 C ATOM 255 SD MET A 28 -0.003 1.226 0.829 1.00 0.00 S ATOM 256 CE MET A 28 0.846 -0.169 1.608 1.00 0.00 C ATOM 0 H MET A 28 1.980 4.336 2.631 1.00 0.00 H new ATOM 0 HA MET A 28 -0.681 4.662 2.941 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.863 2.216 3.890 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.773 2.256 3.263 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.584 3.515 1.228 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.825 2.424 1.813 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.441 -0.696 0.862 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.499 0.199 2.399 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.110 -0.851 2.033 1.00 0.00 H new ATOM 266 N GLN A 29 0.743 4.225 5.890 1.00 0.00 N ATOM 267 CA GLN A 29 0.530 4.366 7.316 1.00 0.00 C ATOM 268 C GLN A 29 0.070 5.783 7.632 1.00 0.00 C ATOM 269 O GLN A 29 -0.899 5.974 8.363 1.00 0.00 O ATOM 270 CB GLN A 29 1.824 4.040 8.057 1.00 0.00 C ATOM 271 CG GLN A 29 1.806 2.579 8.497 1.00 0.00 C ATOM 272 CD GLN A 29 3.151 2.171 9.080 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.697 1.131 8.717 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.684 2.993 9.987 1.00 0.00 N ATOM 0 H GLN A 29 1.702 3.998 5.629 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.245 3.673 7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.682 4.225 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.932 4.691 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.022 2.428 9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.566 1.942 7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.191 3.845 10.255 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.584 2.769 10.412 1.00 0.00 H new ATOM 283 N LEU A 30 0.769 6.776 7.078 1.00 0.00 N ATOM 284 CA LEU A 30 0.430 8.167 7.301 1.00 0.00 C ATOM 285 C LEU A 30 -1.082 8.341 7.279 1.00 0.00 C ATOM 286 O LEU A 30 -1.763 7.761 6.436 1.00 0.00 O ATOM 287 CB LEU A 30 1.089 9.030 6.229 1.00 0.00 C ATOM 288 CG LEU A 30 2.605 8.965 6.385 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.258 9.969 5.439 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.983 9.302 7.824 1.00 0.00 C ATOM 0 H LEU A 30 1.576 6.633 6.470 1.00 0.00 H new ATOM 0 HA LEU A 30 0.797 8.481 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.799 8.681 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.748 10.061 6.317 1.00 0.00 H new ATOM 0 HG LEU A 30 2.952 7.960 6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.341 9.923 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.988 9.728 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.911 10.974 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.066 9.256 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.636 10.307 8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.517 8.585 8.500 1.00 0.00 H new ATOM 302 N PRO A 31 -1.606 9.142 8.209 1.00 0.00 N ATOM 303 CA PRO A 31 -3.019 9.426 8.339 1.00 0.00 C ATOM 304 C PRO A 31 -3.464 10.336 7.203 1.00 0.00 C ATOM 305 O PRO A 31 -4.634 10.702 7.120 1.00 0.00 O ATOM 306 CB PRO A 31 -3.155 10.128 9.688 1.00 0.00 C ATOM 307 CG PRO A 31 -1.810 10.836 9.838 1.00 0.00 C ATOM 308 CD PRO A 31 -0.835 9.839 9.215 1.00 0.00 C ATOM 0 HA PRO A 31 -3.638 8.530 8.290 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.986 10.833 9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.331 9.419 10.497 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.797 11.794 9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.572 11.036 10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.022 10.348 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.445 9.148 9.963 1.00 0.00 H new ATOM 316 N ASP A 32 -2.525 10.702 6.327 1.00 0.00 N ATOM 317 CA ASP A 32 -2.824 11.568 5.204 1.00 0.00 C ATOM 318 C ASP A 32 -2.242 10.977 3.928 1.00 0.00 C ATOM 319 O ASP A 32 -1.748 11.707 3.072 1.00 0.00 O ATOM 320 CB ASP A 32 -2.250 12.957 5.467 1.00 0.00 C ATOM 321 CG ASP A 32 -3.208 13.791 6.306 1.00 0.00 C ATOM 322 OD1 ASP A 32 -3.344 13.464 7.505 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.785 14.740 5.733 1.00 0.00 O ATOM 0 H ASP A 32 -1.550 10.406 6.382 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.904 11.652 5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.293 12.868 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.057 13.460 4.520 1.00 0.00 H new ATOM 329 N SER A 33 -2.300 9.649 3.802 1.00 0.00 N ATOM 330 CA SER A 33 -1.780 8.969 2.633 1.00 0.00 C ATOM 331 C SER A 33 -2.928 8.546 1.728 1.00 0.00 C ATOM 332 O SER A 33 -2.881 8.763 0.519 1.00 0.00 O ATOM 333 CB SER A 33 -0.962 7.758 3.072 1.00 0.00 C ATOM 334 OG SER A 33 -1.077 6.738 2.104 1.00 0.00 O ATOM 0 H SER A 33 -2.705 9.029 4.503 1.00 0.00 H new ATOM 0 HA SER A 33 -1.133 9.644 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.084 8.038 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.315 7.398 4.039 1.00 0.00 H new ATOM 0 HG SER A 33 -0.817 7.089 1.227 1.00 0.00 H new ATOM 340 N GLY A 34 -3.963 7.941 2.316 1.00 0.00 N ATOM 341 CA GLY A 34 -5.114 7.494 1.557 1.00 0.00 C ATOM 342 C GLY A 34 -5.604 6.152 2.083 1.00 0.00 C ATOM 343 O GLY A 34 -6.805 5.947 2.244 1.00 0.00 O ATOM 0 H GLY A 34 -4.019 7.753 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.913 8.233 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.851 7.405 0.503 1.00 0.00 H new ATOM 347 N LEU A 35 -4.670 5.238 2.351 1.00 0.00 N ATOM 348 CA LEU A 35 -5.009 3.922 2.857 1.00 0.00 C ATOM 349 C LEU A 35 -5.408 4.019 4.322 1.00 0.00 C ATOM 350 O LEU A 35 -6.514 3.634 4.693 1.00 0.00 O ATOM 351 CB LEU A 35 -3.815 2.988 2.682 1.00 0.00 C ATOM 352 CG LEU A 35 -4.193 1.587 3.157 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.671 1.335 2.875 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.349 0.554 2.415 1.00 0.00 C ATOM 0 H LEU A 35 -3.670 5.394 2.223 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.854 3.520 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.512 2.960 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.963 3.359 3.251 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.009 1.504 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.941 0.335 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.273 2.073 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.856 1.417 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.618 -0.447 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.532 0.636 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.293 0.734 2.617 1.00 0.00 H new ATOM 366 N GLU A 36 -4.503 4.537 5.156 1.00 0.00 N ATOM 367 CA GLU A 36 -4.768 4.681 6.574 1.00 0.00 C ATOM 368 C GLU A 36 -4.760 3.316 7.246 1.00 0.00 C ATOM 369 O GLU A 36 -5.742 2.580 7.175 1.00 0.00 O ATOM 370 CB GLU A 36 -6.114 5.373 6.770 1.00 0.00 C ATOM 371 CG GLU A 36 -5.889 6.778 7.320 1.00 0.00 C ATOM 372 CD GLU A 36 -6.571 7.820 6.445 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.920 8.256 5.470 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.730 8.160 6.766 1.00 0.00 O ATOM 0 H GLU A 36 -3.581 4.862 4.865 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.989 5.291 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.650 5.424 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.734 4.797 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.277 6.841 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.820 6.985 7.373 1.00 0.00 H new ATOM 382 N ILE A 37 -3.646 2.978 7.900 1.00 0.00 N ATOM 383 CA ILE A 37 -3.513 1.707 8.583 1.00 0.00 C ATOM 384 C ILE A 37 -3.745 1.898 10.076 1.00 0.00 C ATOM 385 O ILE A 37 -2.865 2.381 10.785 1.00 0.00 O ATOM 386 CB ILE A 37 -2.125 1.131 8.320 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.715 1.429 6.881 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.151 -0.379 8.540 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.482 0.511 5.933 1.00 0.00 C ATOM 0 H ILE A 37 -2.823 3.577 7.966 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.259 1.007 8.206 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.407 1.585 9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.922 2.472 6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.642 1.281 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.160 -0.791 8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.444 -0.592 9.568 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.868 -0.834 7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.189 0.724 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.253 -0.528 6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.552 0.681 6.048 1.00 0.00 H new ATOM 401 N ARG A 38 -4.933 1.518 10.551 1.00 0.00 N ATOM 402 CA ARG A 38 -5.274 1.650 11.953 1.00 0.00 C ATOM 403 C ARG A 38 -6.696 1.159 12.186 1.00 0.00 C ATOM 404 O ARG A 38 -6.987 0.564 13.222 1.00 0.00 O ATOM 405 CB ARG A 38 -5.131 3.109 12.375 1.00 0.00 C ATOM 406 CG ARG A 38 -3.847 3.281 13.183 1.00 0.00 C ATOM 407 CD ARG A 38 -3.060 4.471 12.640 1.00 0.00 C ATOM 408 NE ARG A 38 -2.122 4.980 13.641 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.633 6.227 13.609 1.00 0.00 C ATOM 410 NH1 ARG A 38 -2.002 7.067 12.632 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.775 6.635 14.554 1.00 0.00 N ATOM 0 H ARG A 38 -5.672 1.115 9.975 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.597 1.043 12.555 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.109 3.753 11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.992 3.413 12.971 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.085 3.438 14.235 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.244 2.375 13.125 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.515 4.173 11.744 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.748 5.263 12.346 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.828 4.359 14.395 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.655 6.757 11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.630 8.016 12.608 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.494 5.996 15.298 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.403 7.584 14.529 1.00 0.00 H new ATOM 425 N ASP A 39 -7.582 1.409 11.220 1.00 0.00 N ATOM 426 CA ASP A 39 -8.966 0.992 11.326 1.00 0.00 C ATOM 427 C ASP A 39 -9.499 0.623 9.949 1.00 0.00 C ATOM 428 O ASP A 39 -9.275 1.346 8.980 1.00 0.00 O ATOM 429 CB ASP A 39 -9.790 2.120 11.940 1.00 0.00 C ATOM 430 CG ASP A 39 -8.997 2.850 13.015 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.563 2.163 13.965 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.839 4.081 12.866 1.00 0.00 O ATOM 0 H ASP A 39 -7.356 1.901 10.355 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.038 0.115 11.969 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.088 2.823 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.705 1.714 12.370 1.00 0.00 H new ATOM 438 N ARG A 40 -10.206 -0.506 9.863 1.00 0.00 N ATOM 439 CA ARG A 40 -10.765 -0.965 8.608 1.00 0.00 C ATOM 440 C ARG A 40 -11.970 -1.856 8.875 1.00 0.00 C ATOM 441 O ARG A 40 -12.342 -2.071 10.026 1.00 0.00 O ATOM 442 CB ARG A 40 -9.697 -1.722 7.823 1.00 0.00 C ATOM 443 CG ARG A 40 -8.921 -0.743 6.946 1.00 0.00 C ATOM 444 CD ARG A 40 -9.160 -1.077 5.477 1.00 0.00 C ATOM 445 NE ARG A 40 -9.531 0.118 4.720 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.263 0.069 3.599 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.688 -1.111 3.127 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.571 1.200 2.949 1.00 0.00 N ATOM 0 H ARG A 40 -10.401 -1.116 10.657 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.094 -0.110 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.018 -2.230 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.161 -2.491 7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.239 0.279 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.857 -0.799 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.259 -1.517 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.950 -1.824 5.394 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.219 1.028 5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.454 -1.972 3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.245 -1.148 2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.248 2.099 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.128 1.162 2.096 1.00 0.00 H new ATOM 462 N MET A 41 -12.580 -2.376 7.807 1.00 0.00 N ATOM 463 CA MET A 41 -13.738 -3.237 7.934 1.00 0.00 C ATOM 464 C MET A 41 -13.526 -4.512 7.129 1.00 0.00 C ATOM 465 O MET A 41 -13.041 -4.463 6.001 1.00 0.00 O ATOM 466 CB MET A 41 -14.979 -2.494 7.451 1.00 0.00 C ATOM 467 CG MET A 41 -15.517 -1.615 8.578 1.00 0.00 C ATOM 468 SD MET A 41 -17.324 -1.551 8.661 1.00 0.00 S ATOM 469 CE MET A 41 -17.649 -3.242 9.217 1.00 0.00 C ATOM 0 H MET A 41 -12.283 -2.210 6.845 1.00 0.00 H new ATOM 0 HA MET A 41 -13.878 -3.511 8.980 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.735 -1.882 6.583 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.742 -3.205 7.135 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.132 -1.985 9.529 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.133 -0.603 8.451 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.624 -3.564 8.852 1.00 0.00 H new ATOM 0 HE2 MET A 41 -16.878 -3.907 8.828 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.641 -3.275 10.306 1.00 0.00 H new ATOM 479 N TRP A 42 -13.893 -5.656 7.712 1.00 0.00 N ATOM 480 CA TRP A 42 -13.742 -6.933 7.043 1.00 0.00 C ATOM 481 C TRP A 42 -14.693 -7.952 7.654 1.00 0.00 C ATOM 482 O TRP A 42 -14.853 -8.005 8.871 1.00 0.00 O ATOM 483 CB TRP A 42 -12.295 -7.402 7.165 1.00 0.00 C ATOM 484 CG TRP A 42 -12.000 -8.710 6.504 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.446 -9.783 7.110 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.229 -9.109 5.119 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.318 -10.812 6.201 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.786 -10.449 4.955 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.765 -8.476 3.983 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.870 -11.125 3.734 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.854 -9.144 2.754 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.409 -10.465 2.625 1.00 0.00 C ATOM 0 H TRP A 42 -14.296 -5.715 8.647 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.988 -6.826 5.986 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.644 -6.640 6.737 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.042 -7.480 8.222 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.149 -9.828 8.147 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.926 -11.727 6.422 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.114 -7.457 4.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.523 -12.144 3.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.270 -8.634 1.898 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.482 -10.972 1.674 1.00 0.00 H new ATOM 503 N LEU A 43 -15.325 -8.765 6.803 1.00 0.00 N ATOM 504 CA LEU A 43 -16.255 -9.778 7.260 1.00 0.00 C ATOM 505 C LEU A 43 -17.501 -9.115 7.831 1.00 0.00 C ATOM 506 O LEU A 43 -18.290 -9.760 8.518 1.00 0.00 O ATOM 507 CB LEU A 43 -15.578 -10.651 8.312 1.00 0.00 C ATOM 508 CG LEU A 43 -15.032 -11.913 7.650 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.508 -11.846 7.605 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.464 -13.137 8.452 1.00 0.00 C ATOM 0 H LEU A 43 -15.203 -8.734 5.791 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.554 -10.407 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.769 -10.100 8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.290 -10.916 9.093 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.422 -11.988 6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.118 -12.747 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.199 -10.972 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.117 -11.770 8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.074 -14.038 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.075 -13.063 9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.552 -13.186 8.483 1.00 0.00 H new ATOM 522 N LYS A 44 -17.677 -7.823 7.543 1.00 0.00 N ATOM 523 CA LYS A 44 -18.824 -7.083 8.028 1.00 0.00 C ATOM 524 C LYS A 44 -18.588 -6.645 9.467 1.00 0.00 C ATOM 525 O LYS A 44 -19.529 -6.295 10.174 1.00 0.00 O ATOM 526 CB LYS A 44 -20.072 -7.956 7.928 1.00 0.00 C ATOM 527 CG LYS A 44 -20.077 -8.681 6.585 1.00 0.00 C ATOM 528 CD LYS A 44 -21.266 -8.205 5.754 1.00 0.00 C ATOM 529 CE LYS A 44 -21.067 -8.616 4.298 1.00 0.00 C ATOM 530 NZ LYS A 44 -21.861 -9.811 3.974 1.00 0.00 N ATOM 0 H LYS A 44 -17.032 -7.274 6.974 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.969 -6.192 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.090 -8.679 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.967 -7.342 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.146 -8.487 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.137 -9.758 6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.189 -8.635 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.364 -7.122 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.355 -7.795 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.011 -8.816 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.708 -10.070 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.567 -10.599 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.870 -9.610 4.128 1.00 0.00 H new ATOM 544 N ILE A 45 -17.324 -6.666 9.898 1.00 0.00 N ATOM 545 CA ILE A 45 -16.968 -6.272 11.246 1.00 0.00 C ATOM 546 C ILE A 45 -16.017 -5.084 11.201 1.00 0.00 C ATOM 547 O ILE A 45 -15.662 -4.612 10.123 1.00 0.00 O ATOM 548 CB ILE A 45 -16.325 -7.453 11.968 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.901 -8.757 11.425 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.613 -7.352 13.463 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.174 -9.938 12.061 1.00 0.00 C ATOM 0 H ILE A 45 -16.533 -6.955 9.323 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.864 -5.975 11.791 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.248 -7.437 11.804 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.968 -8.814 11.641 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.793 -8.791 10.341 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.154 -8.195 13.980 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.201 -6.421 13.851 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.690 -7.368 13.628 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.585 -10.870 11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.112 -9.883 11.822 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.305 -9.906 13.143 1.00 0.00 H new ATOM 563 N THR A 46 -15.605 -4.599 12.374 1.00 0.00 N ATOM 564 CA THR A 46 -14.700 -3.472 12.457 1.00 0.00 C ATOM 565 C THR A 46 -13.471 -3.852 13.270 1.00 0.00 C ATOM 566 O THR A 46 -13.591 -4.421 14.353 1.00 0.00 O ATOM 567 CB THR A 46 -15.421 -2.286 13.091 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.489 -1.888 12.261 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.445 -1.125 13.256 1.00 0.00 C ATOM 0 H THR A 46 -15.890 -4.977 13.277 1.00 0.00 H new ATOM 0 HA THR A 46 -14.375 -3.190 11.456 1.00 0.00 H new ATOM 0 HB THR A 46 -15.808 -2.576 14.068 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.954 -1.127 12.668 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.960 -0.278 13.709 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.619 -1.432 13.897 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.057 -0.834 12.280 1.00 0.00 H new ATOM 577 N ILE A 47 -12.285 -3.535 12.745 1.00 0.00 N ATOM 578 CA ILE A 47 -11.040 -3.841 13.421 1.00 0.00 C ATOM 579 C ILE A 47 -10.225 -2.568 13.600 1.00 0.00 C ATOM 580 O ILE A 47 -10.280 -1.671 12.761 1.00 0.00 O ATOM 581 CB ILE A 47 -10.262 -4.873 12.610 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.194 -6.012 12.206 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.118 -5.427 13.455 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.828 -5.696 10.855 1.00 0.00 C ATOM 0 H ILE A 47 -12.170 -3.064 11.848 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.249 -4.257 14.407 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.857 -4.401 11.715 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.638 -6.948 12.149 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.969 -6.147 12.961 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.562 -6.164 12.876 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.451 -4.614 13.743 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.522 -5.899 14.350 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.494 -6.509 10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.398 -4.770 10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.046 -5.583 10.104 1.00 0.00 H new ATOM 596 N ALA A 48 -9.468 -2.491 14.696 1.00 0.00 N ATOM 597 CA ALA A 48 -8.648 -1.330 14.979 1.00 0.00 C ATOM 598 C ALA A 48 -7.227 -1.571 14.491 1.00 0.00 C ATOM 599 O ALA A 48 -6.268 -1.328 15.220 1.00 0.00 O ATOM 600 CB ALA A 48 -8.664 -1.050 16.479 1.00 0.00 C ATOM 0 H ALA A 48 -9.411 -3.227 15.400 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.048 -0.461 14.456 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.047 -0.177 16.693 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.687 -0.860 16.803 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.269 -1.913 17.014 1.00 0.00 H new ATOM 606 N ASN A 49 -7.092 -2.052 13.252 1.00 0.00 N ATOM 607 CA ASN A 49 -5.790 -2.322 12.676 1.00 0.00 C ATOM 608 C ASN A 49 -5.907 -3.411 11.620 1.00 0.00 C ATOM 609 O ASN A 49 -5.867 -4.597 11.940 1.00 0.00 O ATOM 610 CB ASN A 49 -4.824 -2.741 13.780 1.00 0.00 C ATOM 611 CG ASN A 49 -3.949 -1.572 14.209 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.868 -0.566 13.508 1.00 0.00 O ATOM 613 ND2 ASN A 49 -3.294 -1.706 15.364 1.00 0.00 N ATOM 0 H ASN A 49 -7.876 -2.260 12.634 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.407 -1.421 12.197 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.385 -3.114 14.637 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.197 -3.560 13.428 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.694 -0.953 15.700 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.394 -2.561 15.911 1.00 0.00 H new ATOM 620 N ALA A 50 -6.050 -3.006 10.356 1.00 0.00 N ATOM 621 CA ALA A 50 -6.172 -3.946 9.260 1.00 0.00 C ATOM 622 C ALA A 50 -5.841 -3.252 7.946 1.00 0.00 C ATOM 623 O ALA A 50 -5.958 -2.034 7.839 1.00 0.00 O ATOM 624 CB ALA A 50 -7.589 -4.512 9.232 1.00 0.00 C ATOM 0 H ALA A 50 -6.083 -2.026 10.074 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.470 -4.768 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.682 -5.219 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.796 -5.022 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.303 -3.700 9.095 1.00 0.00 H new ATOM 630 N VAL A 51 -5.428 -4.032 6.945 1.00 0.00 N ATOM 631 CA VAL A 51 -5.082 -3.491 5.646 1.00 0.00 C ATOM 632 C VAL A 51 -4.525 -4.596 4.760 1.00 0.00 C ATOM 633 O VAL A 51 -5.031 -4.830 3.664 1.00 0.00 O ATOM 634 CB VAL A 51 -4.063 -2.369 5.818 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.784 -1.024 5.836 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.312 -2.562 7.133 1.00 0.00 C ATOM 0 H VAL A 51 -5.327 -5.044 7.018 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.973 -3.083 5.168 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.356 -2.390 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.056 -0.222 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.320 -0.886 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.492 -1.002 6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.583 -1.761 7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.019 -2.541 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.796 -3.522 7.120 1.00 0.00 H new ATOM 646 N ILE A 52 -3.480 -5.276 5.237 1.00 0.00 N ATOM 647 CA ILE A 52 -2.860 -6.352 4.490 1.00 0.00 C ATOM 648 C ILE A 52 -2.458 -5.855 3.108 1.00 0.00 C ATOM 649 O ILE A 52 -2.785 -4.731 2.731 1.00 0.00 O ATOM 650 CB ILE A 52 -3.833 -7.522 4.383 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.067 -8.835 4.515 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.535 -7.478 3.029 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.024 -9.941 4.950 1.00 0.00 C ATOM 0 H ILE A 52 -3.050 -5.093 6.143 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.962 -6.690 5.008 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.574 -7.451 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.603 -9.095 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.263 -8.728 5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.230 -8.314 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.083 -6.540 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.794 -7.548 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.477 -10.879 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.467 -9.681 5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.812 -10.054 4.206 1.00 0.00 H new ATOM 665 N GLY A 53 -1.748 -6.694 2.351 1.00 0.00 N ATOM 666 CA GLY A 53 -1.309 -6.331 1.018 1.00 0.00 C ATOM 667 C GLY A 53 -2.503 -5.942 0.158 1.00 0.00 C ATOM 668 O GLY A 53 -2.393 -5.074 -0.705 1.00 0.00 O ATOM 0 H GLY A 53 -1.468 -7.629 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.605 -5.500 1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.780 -7.167 0.561 1.00 0.00 H new ATOM 672 N ALA A 54 -3.647 -6.588 0.395 1.00 0.00 N ATOM 673 CA ALA A 54 -4.853 -6.308 -0.357 1.00 0.00 C ATOM 674 C ALA A 54 -5.086 -4.805 -0.419 1.00 0.00 C ATOM 675 O ALA A 54 -5.064 -4.216 -1.498 1.00 0.00 O ATOM 676 CB ALA A 54 -6.037 -7.012 0.300 1.00 0.00 C ATOM 0 H ALA A 54 -3.754 -7.310 1.107 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.745 -6.681 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.945 -6.802 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.859 -8.087 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.154 -6.651 1.322 1.00 0.00 H new ATOM 682 N ASP A 55 -5.309 -4.186 0.742 1.00 0.00 N ATOM 683 CA ASP A 55 -5.545 -2.758 0.813 1.00 0.00 C ATOM 684 C ASP A 55 -4.304 -2.007 0.353 1.00 0.00 C ATOM 685 O ASP A 55 -4.394 -1.106 -0.478 1.00 0.00 O ATOM 686 CB ASP A 55 -5.911 -2.374 2.244 1.00 0.00 C ATOM 687 CG ASP A 55 -6.981 -1.292 2.260 1.00 0.00 C ATOM 688 OD1 ASP A 55 -6.786 -0.290 1.539 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.974 -1.487 2.994 1.00 0.00 O ATOM 0 H ASP A 55 -5.329 -4.661 1.645 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.372 -2.489 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.269 -3.253 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.023 -2.021 2.768 1.00 0.00 H new ATOM 695 N VAL A 56 -3.143 -2.380 0.896 1.00 0.00 N ATOM 696 CA VAL A 56 -1.892 -1.742 0.541 1.00 0.00 C ATOM 697 C VAL A 56 -1.783 -1.631 -0.973 1.00 0.00 C ATOM 698 O VAL A 56 -1.183 -0.689 -1.487 1.00 0.00 O ATOM 699 CB VAL A 56 -0.729 -2.551 1.108 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.585 -1.840 0.800 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.893 -2.684 2.620 1.00 0.00 C ATOM 0 H VAL A 56 -3.053 -3.126 1.586 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.859 -0.738 0.964 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.720 -3.542 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.415 -2.418 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.702 -1.744 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.578 -0.849 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.063 -3.262 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.902 -1.693 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.831 -3.192 2.841 1.00 0.00 H new ATOM 711 N VAL A 57 -2.367 -2.596 -1.688 1.00 0.00 N ATOM 712 CA VAL A 57 -2.333 -2.601 -3.137 1.00 0.00 C ATOM 713 C VAL A 57 -3.366 -1.624 -3.679 1.00 0.00 C ATOM 714 O VAL A 57 -3.013 -0.639 -4.324 1.00 0.00 O ATOM 715 CB VAL A 57 -2.605 -4.014 -3.646 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.735 -3.991 -5.166 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.450 -4.928 -3.248 1.00 0.00 C ATOM 0 H VAL A 57 -2.869 -3.383 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.348 -2.288 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.531 -4.386 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.929 -5.000 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.560 -3.338 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.809 -3.619 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.643 -5.937 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.524 -4.556 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.357 -4.945 -2.162 1.00 0.00 H new ATOM 727 N ASP A 58 -4.646 -1.898 -3.416 1.00 0.00 N ATOM 728 CA ASP A 58 -5.721 -1.044 -3.879 1.00 0.00 C ATOM 729 C ASP A 58 -5.326 0.416 -3.714 1.00 0.00 C ATOM 730 O ASP A 58 -5.782 1.273 -4.469 1.00 0.00 O ATOM 731 CB ASP A 58 -6.990 -1.354 -3.089 1.00 0.00 C ATOM 732 CG ASP A 58 -7.645 -2.633 -3.591 1.00 0.00 C ATOM 733 OD1 ASP A 58 -7.003 -3.695 -3.442 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.775 -2.525 -4.115 1.00 0.00 O ATOM 0 H ASP A 58 -4.955 -2.710 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.911 -1.231 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.748 -1.456 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.690 -0.523 -3.178 1.00 0.00 H new ATOM 740 N TRP A 59 -4.476 0.700 -2.725 1.00 0.00 N ATOM 741 CA TRP A 59 -4.027 2.054 -2.473 1.00 0.00 C ATOM 742 C TRP A 59 -2.873 2.400 -3.404 1.00 0.00 C ATOM 743 O TRP A 59 -2.929 3.395 -4.123 1.00 0.00 O ATOM 744 CB TRP A 59 -3.601 2.184 -1.013 1.00 0.00 C ATOM 745 CG TRP A 59 -3.316 3.581 -0.563 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.238 4.458 -0.108 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.038 4.285 -0.513 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.622 5.648 0.217 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.262 5.597 -0.014 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.711 3.950 -0.839 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.231 6.525 0.153 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.332 4.873 -0.675 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.076 6.158 -0.181 1.00 0.00 C ATOM 0 H TRP A 59 -4.089 0.003 -2.089 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.842 2.752 -2.665 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.386 1.768 -0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.709 1.578 -0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.295 4.258 -0.013 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.111 6.465 0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.492 2.964 -1.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.441 7.513 0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.342 4.590 -0.932 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.885 6.863 -0.058 1.00 0.00 H new ATOM 764 N LEU A 60 -1.825 1.573 -3.389 1.00 0.00 N ATOM 765 CA LEU A 60 -0.665 1.794 -4.230 1.00 0.00 C ATOM 766 C LEU A 60 -1.109 2.237 -5.617 1.00 0.00 C ATOM 767 O LEU A 60 -0.567 3.192 -6.169 1.00 0.00 O ATOM 768 CB LEU A 60 0.156 0.510 -4.310 1.00 0.00 C ATOM 769 CG LEU A 60 1.056 0.405 -3.082 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.514 -1.040 -2.908 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.274 1.306 -3.266 1.00 0.00 C ATOM 0 H LEU A 60 -1.764 0.744 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.045 2.581 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.506 -0.355 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.759 0.507 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 60 0.502 0.719 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.157 -1.115 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.644 -1.684 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.068 -1.355 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.917 1.232 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.828 0.992 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.947 2.339 -3.390 1.00 0.00 H new ATOM 783 N TYR A 61 -2.098 1.539 -6.180 1.00 0.00 N ATOM 784 CA TYR A 61 -2.607 1.864 -7.497 1.00 0.00 C ATOM 785 C TYR A 61 -3.495 3.097 -7.418 1.00 0.00 C ATOM 786 O TYR A 61 -3.324 4.039 -8.189 1.00 0.00 O ATOM 787 CB TYR A 61 -3.383 0.672 -8.049 1.00 0.00 C ATOM 788 CG TYR A 61 -4.108 0.970 -9.340 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.239 1.795 -9.333 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.648 0.422 -10.543 1.00 0.00 C ATOM 791 CE1 TYR A 61 -5.911 2.071 -10.530 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.320 0.699 -11.740 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.451 1.524 -11.734 1.00 0.00 C ATOM 794 OH TYR A 61 -6.106 1.794 -12.899 1.00 0.00 O ATOM 0 H TYR A 61 -2.558 0.744 -5.736 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.777 2.083 -8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.693 -0.156 -8.212 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.106 0.343 -7.303 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.593 2.218 -8.405 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.775 -0.214 -10.548 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.785 2.706 -10.525 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.966 0.276 -12.668 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.656 1.338 -13.640 1.00 0.00 H new ATOM 804 N THR A 62 -4.448 3.091 -6.483 1.00 0.00 N ATOM 805 CA THR A 62 -5.354 4.208 -6.312 1.00 0.00 C ATOM 806 C THR A 62 -4.566 5.470 -5.988 1.00 0.00 C ATOM 807 O THR A 62 -5.106 6.573 -6.041 1.00 0.00 O ATOM 808 CB THR A 62 -6.347 3.890 -5.198 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.231 2.880 -5.630 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.141 5.146 -4.850 1.00 0.00 C ATOM 0 H THR A 62 -4.605 2.319 -5.836 1.00 0.00 H new ATOM 0 HA THR A 62 -5.906 4.377 -7.237 1.00 0.00 H new ATOM 0 HB THR A 62 -5.806 3.546 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.838 2.001 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.850 4.919 -4.054 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.458 5.927 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.682 5.490 -5.731 1.00 0.00 H new ATOM 818 N HIS A 63 -3.285 5.306 -5.652 1.00 0.00 N ATOM 819 CA HIS A 63 -2.434 6.431 -5.320 1.00 0.00 C ATOM 820 C HIS A 63 -1.549 6.782 -6.509 1.00 0.00 C ATOM 821 O HIS A 63 -1.793 7.770 -7.197 1.00 0.00 O ATOM 822 CB HIS A 63 -1.587 6.085 -4.099 1.00 0.00 C ATOM 823 CG HIS A 63 -1.395 7.256 -3.175 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.248 8.004 -3.040 1.00 0.00 N ATOM 825 CD2 HIS A 63 -2.331 7.768 -2.317 1.00 0.00 C ATOM 826 CE1 HIS A 63 -0.494 8.949 -2.115 1.00 0.00 C ATOM 827 NE2 HIS A 63 -1.749 8.847 -1.645 1.00 0.00 N ATOM 0 H HIS A 63 -2.821 4.399 -5.605 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.050 7.299 -5.085 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.061 5.270 -3.552 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.613 5.724 -4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.339 7.404 -2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.222 9.691 -1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.189 9.438 -0.940 1.00 0.00 H new ATOM 835 N VAL A 64 -0.519 5.967 -6.748 1.00 0.00 N ATOM 836 CA VAL A 64 0.396 6.193 -7.849 1.00 0.00 C ATOM 837 C VAL A 64 0.322 5.029 -8.826 1.00 0.00 C ATOM 838 O VAL A 64 -0.594 4.213 -8.755 1.00 0.00 O ATOM 839 CB VAL A 64 1.813 6.356 -7.306 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.893 7.628 -6.467 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.167 5.151 -6.439 1.00 0.00 C ATOM 0 H VAL A 64 -0.304 5.143 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 64 0.118 7.104 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 64 2.515 6.424 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.905 7.745 -6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.640 8.489 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.191 7.560 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.179 5.267 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.465 5.082 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.110 4.242 -7.038 1.00 0.00 H new ATOM 851 N GLU A 65 1.291 4.953 -9.742 1.00 0.00 N ATOM 852 CA GLU A 65 1.329 3.889 -10.725 1.00 0.00 C ATOM 853 C GLU A 65 2.772 3.516 -11.032 1.00 0.00 C ATOM 854 O GLU A 65 3.699 4.111 -10.486 1.00 0.00 O ATOM 855 CB GLU A 65 0.607 4.343 -11.991 1.00 0.00 C ATOM 856 CG GLU A 65 1.179 5.680 -12.451 1.00 0.00 C ATOM 857 CD GLU A 65 1.140 5.794 -13.969 1.00 0.00 C ATOM 858 OE1 GLU A 65 0.174 6.412 -14.467 1.00 0.00 O ATOM 859 OE2 GLU A 65 2.076 5.261 -14.602 1.00 0.00 O ATOM 0 H GLU A 65 2.058 5.622 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 65 0.825 3.007 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.723 3.596 -12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.461 4.439 -11.798 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.610 6.496 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.206 5.780 -12.101 1.00 0.00 H new ATOM 867 N GLY A 66 2.962 2.528 -11.909 1.00 0.00 N ATOM 868 CA GLY A 66 4.291 2.085 -12.280 1.00 0.00 C ATOM 869 C GLY A 66 4.305 0.577 -12.490 1.00 0.00 C ATOM 870 O GLY A 66 5.248 0.037 -13.064 1.00 0.00 O ATOM 0 H GLY A 66 2.205 2.024 -12.372 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.608 2.589 -13.193 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.003 2.357 -11.501 1.00 0.00 H new ATOM 874 N PHE A 67 3.255 -0.102 -12.024 1.00 0.00 N ATOM 875 CA PHE A 67 3.154 -1.540 -12.164 1.00 0.00 C ATOM 876 C PHE A 67 2.359 -1.883 -13.416 1.00 0.00 C ATOM 877 O PHE A 67 1.297 -1.313 -13.655 1.00 0.00 O ATOM 878 CB PHE A 67 2.486 -2.125 -10.922 1.00 0.00 C ATOM 879 CG PHE A 67 3.099 -1.647 -9.627 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.460 -1.855 -9.377 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.305 -0.993 -8.677 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.028 -1.410 -8.178 1.00 0.00 C ATOM 883 CE2 PHE A 67 2.872 -0.548 -7.478 1.00 0.00 C ATOM 884 CZ PHE A 67 4.234 -0.756 -7.228 1.00 0.00 C ATOM 0 H PHE A 67 2.465 0.331 -11.546 1.00 0.00 H new ATOM 0 HA PHE A 67 4.151 -1.970 -12.262 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.428 -1.865 -10.932 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.547 -3.212 -10.964 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.072 -2.359 -10.110 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.255 -0.832 -8.870 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.078 -1.571 -7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.259 -0.044 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.672 -0.412 -6.303 1.00 0.00 H new ATOM 894 N LYS A 68 2.876 -2.818 -14.216 1.00 0.00 N ATOM 895 CA LYS A 68 2.212 -3.230 -15.437 1.00 0.00 C ATOM 896 C LYS A 68 0.710 -3.322 -15.204 1.00 0.00 C ATOM 897 O LYS A 68 -0.068 -2.660 -15.887 1.00 0.00 O ATOM 898 CB LYS A 68 2.772 -4.575 -15.890 1.00 0.00 C ATOM 899 CG LYS A 68 3.975 -4.344 -16.800 1.00 0.00 C ATOM 900 CD LYS A 68 5.260 -4.633 -16.028 1.00 0.00 C ATOM 901 CE LYS A 68 6.450 -4.581 -16.982 1.00 0.00 C ATOM 902 NZ LYS A 68 6.964 -5.931 -17.258 1.00 0.00 N ATOM 0 H LYS A 68 3.756 -3.301 -14.032 1.00 0.00 H new ATOM 0 HA LYS A 68 2.393 -2.493 -16.219 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.066 -5.169 -15.025 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.005 -5.141 -16.419 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.911 -4.990 -17.676 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.979 -3.316 -17.162 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.389 -3.903 -15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.201 -5.614 -15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.152 -4.104 -17.915 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.241 -3.968 -16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.773 -5.868 -17.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.269 -6.375 -16.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.214 -6.506 -17.692 1.00 0.00 H new ATOM 916 N GLU A 69 0.304 -4.147 -14.236 1.00 0.00 N ATOM 917 CA GLU A 69 -1.100 -4.319 -13.920 1.00 0.00 C ATOM 918 C GLU A 69 -1.251 -4.884 -12.515 1.00 0.00 C ATOM 919 O GLU A 69 -0.410 -4.643 -11.652 1.00 0.00 O ATOM 920 CB GLU A 69 -1.741 -5.246 -14.949 1.00 0.00 C ATOM 921 CG GLU A 69 -3.185 -4.815 -15.191 1.00 0.00 C ATOM 922 CD GLU A 69 -3.473 -4.697 -16.681 1.00 0.00 C ATOM 923 OE1 GLU A 69 -4.322 -5.480 -17.159 1.00 0.00 O ATOM 924 OE2 GLU A 69 -2.839 -3.825 -17.314 1.00 0.00 O ATOM 0 H GLU A 69 0.936 -4.704 -13.661 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.605 -3.353 -13.955 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.179 -5.214 -15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.712 -6.276 -14.594 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.865 -5.538 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.370 -3.858 -14.704 1.00 0.00 H new ATOM 932 N ARG A 70 -2.328 -5.641 -12.288 1.00 0.00 N ATOM 933 CA ARG A 70 -2.584 -6.236 -10.992 1.00 0.00 C ATOM 934 C ARG A 70 -1.426 -7.144 -10.603 1.00 0.00 C ATOM 935 O ARG A 70 -1.206 -7.400 -9.422 1.00 0.00 O ATOM 936 CB ARG A 70 -3.892 -7.021 -11.045 1.00 0.00 C ATOM 937 CG ARG A 70 -4.551 -7.004 -9.668 1.00 0.00 C ATOM 938 CD ARG A 70 -4.272 -8.324 -8.954 1.00 0.00 C ATOM 939 NE ARG A 70 -5.256 -9.340 -9.326 1.00 0.00 N ATOM 940 CZ ARG A 70 -6.533 -9.296 -8.921 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.955 -8.290 -8.144 1.00 0.00 N ATOM 942 NH2 ARG A 70 -7.388 -10.259 -9.294 1.00 0.00 N ATOM 0 H ARG A 70 -3.034 -5.851 -12.994 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.674 -5.453 -10.239 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.561 -6.584 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.700 -8.048 -11.356 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.166 -6.171 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.626 -6.853 -9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.271 -8.673 -9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.294 -8.170 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.958 -10.115 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.305 -7.557 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.927 -8.257 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.067 -11.025 -9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.360 -10.226 -8.986 1.00 0.00 H new ATOM 956 N ARG A 71 -0.685 -7.630 -11.602 1.00 0.00 N ATOM 957 CA ARG A 71 0.444 -8.505 -11.360 1.00 0.00 C ATOM 958 C ARG A 71 1.573 -7.722 -10.707 1.00 0.00 C ATOM 959 O ARG A 71 1.879 -7.931 -9.535 1.00 0.00 O ATOM 960 CB ARG A 71 0.904 -9.117 -12.680 1.00 0.00 C ATOM 961 CG ARG A 71 -0.314 -9.554 -13.490 1.00 0.00 C ATOM 962 CD ARG A 71 -0.285 -11.068 -13.675 1.00 0.00 C ATOM 963 NE ARG A 71 -0.229 -11.754 -12.384 1.00 0.00 N ATOM 964 CZ ARG A 71 0.096 -13.049 -12.263 1.00 0.00 C ATOM 965 NH1 ARG A 71 0.388 -13.771 -13.354 1.00 0.00 N ATOM 966 NH2 ARG A 71 0.128 -13.621 -11.052 1.00 0.00 N ATOM 0 H ARG A 71 -0.855 -7.426 -12.587 1.00 0.00 H new ATOM 0 HA ARG A 71 0.148 -9.308 -10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.489 -8.391 -13.245 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.554 -9.971 -12.490 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.230 -9.257 -12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.316 -9.058 -14.461 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.172 -11.388 -14.222 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.580 -11.348 -14.277 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.447 -11.224 -11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.363 -13.335 -14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.635 -14.756 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.095 -13.071 -10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.375 -14.606 -10.960 1.00 0.00 H new ATOM 980 N GLU A 72 2.193 -6.816 -11.467 1.00 0.00 N ATOM 981 CA GLU A 72 3.282 -6.008 -10.956 1.00 0.00 C ATOM 982 C GLU A 72 2.883 -5.379 -9.629 1.00 0.00 C ATOM 983 O GLU A 72 3.698 -5.285 -8.714 1.00 0.00 O ATOM 984 CB GLU A 72 3.639 -4.933 -11.978 1.00 0.00 C ATOM 985 CG GLU A 72 4.664 -5.488 -12.963 1.00 0.00 C ATOM 986 CD GLU A 72 6.072 -5.392 -12.394 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.282 -4.494 -11.549 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.911 -6.218 -12.813 1.00 0.00 O ATOM 0 H GLU A 72 1.952 -6.630 -12.440 1.00 0.00 H new ATOM 0 HA GLU A 72 4.156 -6.636 -10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.744 -4.611 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.042 -4.055 -11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.430 -6.528 -13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.608 -4.936 -13.901 1.00 0.00 H new ATOM 996 N ALA A 73 1.623 -4.949 -9.526 1.00 0.00 N ATOM 997 CA ALA A 73 1.123 -4.332 -8.314 1.00 0.00 C ATOM 998 C ALA A 73 1.269 -5.297 -7.146 1.00 0.00 C ATOM 999 O ALA A 73 1.881 -4.962 -6.134 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.338 -3.939 -8.510 1.00 0.00 C ATOM 0 H ALA A 73 0.935 -5.021 -10.275 1.00 0.00 H new ATOM 0 HA ALA A 73 1.701 -3.435 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.715 -3.475 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.417 -3.233 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.927 -4.828 -8.735 1.00 0.00 H new ATOM 1006 N ARG A 74 0.704 -6.499 -7.288 1.00 0.00 N ATOM 1007 CA ARG A 74 0.773 -7.504 -6.246 1.00 0.00 C ATOM 1008 C ARG A 74 2.223 -7.891 -5.998 1.00 0.00 C ATOM 1009 O ARG A 74 2.567 -8.355 -4.913 1.00 0.00 O ATOM 1010 CB ARG A 74 -0.048 -8.721 -6.661 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.050 -9.744 -5.528 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.421 -10.407 -5.443 1.00 0.00 C ATOM 1013 NE ARG A 74 -1.300 -11.823 -5.098 1.00 0.00 N ATOM 1014 CZ ARG A 74 -0.828 -12.741 -5.953 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -0.443 -12.375 -7.183 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.741 -14.025 -5.578 1.00 0.00 N ATOM 0 H ARG A 74 0.194 -6.792 -8.121 1.00 0.00 H new ATOM 0 HA ARG A 74 0.362 -7.103 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.069 -8.421 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.370 -9.164 -7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.719 -10.496 -5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.189 -9.256 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.029 -9.898 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.938 -10.305 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.587 -12.125 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.509 -11.398 -7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.084 -13.073 -7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.034 -14.304 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.382 -14.723 -6.229 1.00 0.00 H new ATOM 1030 N LYS A 75 3.076 -7.699 -7.007 1.00 0.00 N ATOM 1031 CA LYS A 75 4.482 -8.028 -6.892 1.00 0.00 C ATOM 1032 C LYS A 75 5.163 -7.063 -5.932 1.00 0.00 C ATOM 1033 O LYS A 75 5.992 -7.470 -5.122 1.00 0.00 O ATOM 1034 CB LYS A 75 5.133 -7.969 -8.271 1.00 0.00 C ATOM 1035 CG LYS A 75 4.712 -9.189 -9.084 1.00 0.00 C ATOM 1036 CD LYS A 75 5.859 -10.194 -9.126 1.00 0.00 C ATOM 1037 CE LYS A 75 5.440 -11.411 -9.945 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.614 -12.104 -10.499 1.00 0.00 N ATOM 0 H LYS A 75 2.807 -7.315 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 75 4.590 -9.038 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.837 -7.055 -8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.218 -7.941 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.829 -9.648 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.441 -8.889 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.744 -9.734 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.127 -10.498 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.871 -12.097 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.781 -11.099 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.302 -12.928 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.142 -11.454 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.229 -12.421 -9.722 1.00 0.00 H new ATOM 1052 N TYR A 76 4.812 -5.778 -6.026 1.00 0.00 N ATOM 1053 CA TYR A 76 5.391 -4.764 -5.169 1.00 0.00 C ATOM 1054 C TYR A 76 4.919 -4.967 -3.736 1.00 0.00 C ATOM 1055 O TYR A 76 5.726 -4.978 -2.809 1.00 0.00 O ATOM 1056 CB TYR A 76 4.995 -3.382 -5.679 1.00 0.00 C ATOM 1057 CG TYR A 76 5.581 -2.249 -4.869 1.00 0.00 C ATOM 1058 CD1 TYR A 76 4.893 -1.757 -3.754 1.00 0.00 C ATOM 1059 CD2 TYR A 76 6.812 -1.692 -5.235 1.00 0.00 C ATOM 1060 CE1 TYR A 76 5.437 -0.708 -3.004 1.00 0.00 C ATOM 1061 CE2 TYR A 76 7.356 -0.643 -4.484 1.00 0.00 C ATOM 1062 CZ TYR A 76 6.668 -0.151 -3.368 1.00 0.00 C ATOM 1063 OH TYR A 76 7.198 0.871 -2.637 1.00 0.00 O ATOM 0 H TYR A 76 4.126 -5.423 -6.693 1.00 0.00 H new ATOM 0 HA TYR A 76 6.478 -4.845 -5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.316 -3.281 -6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.908 -3.299 -5.672 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.943 -2.187 -3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.342 -2.071 -6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.906 -0.328 -2.144 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.306 -0.213 -4.765 1.00 0.00 H new ATOM 0 HH TYR A 76 7.998 1.214 -3.087 1.00 0.00 H new ATOM 1073 N ALA A 77 3.605 -5.128 -3.557 1.00 0.00 N ATOM 1074 CA ALA A 77 3.033 -5.328 -2.241 1.00 0.00 C ATOM 1075 C ALA A 77 3.714 -6.504 -1.556 1.00 0.00 C ATOM 1076 O ALA A 77 4.214 -6.371 -0.441 1.00 0.00 O ATOM 1077 CB ALA A 77 1.532 -5.573 -2.372 1.00 0.00 C ATOM 0 H ALA A 77 2.923 -5.122 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 77 3.191 -4.438 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.100 -5.724 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.063 -4.711 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.360 -6.460 -2.982 1.00 0.00 H new ATOM 1083 N SER A 78 3.731 -7.659 -2.226 1.00 0.00 N ATOM 1084 CA SER A 78 4.350 -8.849 -1.679 1.00 0.00 C ATOM 1085 C SER A 78 5.769 -8.532 -1.227 1.00 0.00 C ATOM 1086 O SER A 78 6.188 -8.952 -0.150 1.00 0.00 O ATOM 1087 CB SER A 78 4.352 -9.951 -2.734 1.00 0.00 C ATOM 1088 OG SER A 78 3.074 -10.039 -3.323 1.00 0.00 O ATOM 0 H SER A 78 3.319 -7.786 -3.151 1.00 0.00 H new ATOM 0 HA SER A 78 3.783 -9.193 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.102 -9.738 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.621 -10.904 -2.279 1.00 0.00 H new ATOM 0 HG SER A 78 3.078 -9.572 -4.184 1.00 0.00 H new ATOM 1094 N SER A 79 6.508 -7.788 -2.053 1.00 0.00 N ATOM 1095 CA SER A 79 7.872 -7.419 -1.733 1.00 0.00 C ATOM 1096 C SER A 79 7.882 -6.437 -0.569 1.00 0.00 C ATOM 1097 O SER A 79 8.871 -6.338 0.153 1.00 0.00 O ATOM 1098 CB SER A 79 8.534 -6.805 -2.963 1.00 0.00 C ATOM 1099 OG SER A 79 9.469 -7.716 -3.496 1.00 0.00 O ATOM 0 H SER A 79 6.175 -7.432 -2.949 1.00 0.00 H new ATOM 0 HA SER A 79 8.433 -8.306 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.780 -6.561 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.031 -5.872 -2.695 1.00 0.00 H new ATOM 0 HG SER A 79 9.894 -7.324 -4.287 1.00 0.00 H new ATOM 1105 N MET A 80 6.777 -5.711 -0.388 1.00 0.00 N ATOM 1106 CA MET A 80 6.667 -4.743 0.684 1.00 0.00 C ATOM 1107 C MET A 80 6.504 -5.462 2.016 1.00 0.00 C ATOM 1108 O MET A 80 7.007 -5.002 3.039 1.00 0.00 O ATOM 1109 CB MET A 80 5.478 -3.824 0.419 1.00 0.00 C ATOM 1110 CG MET A 80 5.892 -2.375 0.659 1.00 0.00 C ATOM 1111 SD MET A 80 4.500 -1.244 0.903 1.00 0.00 S ATOM 1112 CE MET A 80 3.701 -2.066 2.304 1.00 0.00 C ATOM 0 H MET A 80 5.947 -5.782 -0.977 1.00 0.00 H new ATOM 0 HA MET A 80 7.574 -4.140 0.727 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.130 -3.949 -0.606 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.647 -4.089 1.073 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.539 -2.333 1.535 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.482 -2.031 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.270 -1.317 2.968 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.912 -2.723 1.938 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.439 -2.654 2.850 1.00 0.00 H new ATOM 1122 N LEU A 81 5.799 -6.596 2.001 1.00 0.00 N ATOM 1123 CA LEU A 81 5.574 -7.373 3.204 1.00 0.00 C ATOM 1124 C LEU A 81 6.841 -8.130 3.575 1.00 0.00 C ATOM 1125 O LEU A 81 7.339 -8.002 4.691 1.00 0.00 O ATOM 1126 CB LEU A 81 4.414 -8.338 2.976 1.00 0.00 C ATOM 1127 CG LEU A 81 3.837 -8.766 4.321 1.00 0.00 C ATOM 1128 CD1 LEU A 81 3.209 -10.151 4.189 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.951 -8.809 5.363 1.00 0.00 C ATOM 0 H LEU A 81 5.376 -6.991 1.161 1.00 0.00 H new ATOM 0 HA LEU A 81 5.319 -6.707 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.642 -7.860 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.757 -9.211 2.421 1.00 0.00 H new ATOM 0 HG LEU A 81 3.076 -8.051 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.797 -10.457 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.412 -10.120 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.969 -10.867 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.538 -9.115 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.713 -9.523 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.398 -7.820 5.458 1.00 0.00 H new ATOM 1141 N LYS A 82 7.362 -8.921 2.634 1.00 0.00 N ATOM 1142 CA LYS A 82 8.566 -9.693 2.867 1.00 0.00 C ATOM 1143 C LYS A 82 9.657 -8.793 3.431 1.00 0.00 C ATOM 1144 O LYS A 82 10.512 -9.248 4.188 1.00 0.00 O ATOM 1145 CB LYS A 82 9.019 -10.336 1.560 1.00 0.00 C ATOM 1146 CG LYS A 82 8.559 -11.791 1.523 1.00 0.00 C ATOM 1147 CD LYS A 82 7.035 -11.845 1.578 1.00 0.00 C ATOM 1148 CE LYS A 82 6.591 -12.299 2.965 1.00 0.00 C ATOM 1149 NZ LYS A 82 5.895 -11.216 3.677 1.00 0.00 N ATOM 0 H LYS A 82 6.961 -9.038 1.703 1.00 0.00 H new ATOM 0 HA LYS A 82 8.361 -10.480 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.605 -9.791 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.104 -10.284 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.918 -12.274 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.983 -12.339 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.618 -10.863 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.657 -12.532 0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.932 -13.162 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.459 -12.619 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.217 -11.624 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.589 -10.636 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.386 -10.621 2.992 1.00 0.00 H new ATOM 1163 N HIS A 83 9.628 -7.510 3.059 1.00 0.00 N ATOM 1164 CA HIS A 83 10.614 -6.558 3.529 1.00 0.00 C ATOM 1165 C HIS A 83 10.586 -6.487 5.049 1.00 0.00 C ATOM 1166 O HIS A 83 11.539 -6.020 5.669 1.00 0.00 O ATOM 1167 CB HIS A 83 10.329 -5.189 2.919 1.00 0.00 C ATOM 1168 CG HIS A 83 11.489 -4.654 2.125 1.00 0.00 C ATOM 1169 ND1 HIS A 83 11.538 -4.508 0.758 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.686 -4.226 2.634 1.00 0.00 C ATOM 1171 CE1 HIS A 83 12.746 -3.999 0.453 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.481 -3.810 1.562 1.00 0.00 N ATOM 0 H HIS A 83 8.927 -7.115 2.432 1.00 0.00 H new ATOM 0 HA HIS A 83 11.609 -6.880 3.221 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.454 -5.259 2.273 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.083 -4.485 3.714 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.796 -4.742 0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.966 -4.212 3.677 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.080 -3.773 -0.549 1.00 0.00 H new ATOM 1180 N GLY A 84 9.489 -6.953 5.651 1.00 0.00 N ATOM 1181 CA GLY A 84 9.347 -6.938 7.093 1.00 0.00 C ATOM 1182 C GLY A 84 8.645 -5.664 7.540 1.00 0.00 C ATOM 1183 O GLY A 84 8.734 -5.278 8.704 1.00 0.00 O ATOM 0 H GLY A 84 8.689 -7.344 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.778 -7.809 7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.328 -7.005 7.563 1.00 0.00 H new ATOM 1187 N PHE A 85 7.944 -5.009 6.611 1.00 0.00 N ATOM 1188 CA PHE A 85 7.232 -3.784 6.916 1.00 0.00 C ATOM 1189 C PHE A 85 5.770 -4.095 7.206 1.00 0.00 C ATOM 1190 O PHE A 85 4.951 -3.186 7.323 1.00 0.00 O ATOM 1191 CB PHE A 85 7.356 -2.820 5.740 1.00 0.00 C ATOM 1192 CG PHE A 85 8.676 -2.087 5.698 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.874 -2.807 5.618 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.702 -0.688 5.737 1.00 0.00 C ATOM 1195 CE1 PHE A 85 11.098 -2.128 5.578 1.00 0.00 C ATOM 1196 CE2 PHE A 85 9.925 -0.009 5.696 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.123 -0.729 5.617 1.00 0.00 C ATOM 0 H PHE A 85 7.860 -5.315 5.642 1.00 0.00 H new ATOM 0 HA PHE A 85 7.666 -3.317 7.800 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.228 -3.375 4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.547 -2.092 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.854 -3.886 5.587 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.778 -0.132 5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 85 12.022 -2.683 5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.945 1.070 5.725 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.067 -0.205 5.586 1.00 0.00 H new ATOM 1207 N LEU A 86 5.444 -5.385 7.323 1.00 0.00 N ATOM 1208 CA LEU A 86 4.086 -5.809 7.599 1.00 0.00 C ATOM 1209 C LEU A 86 4.101 -7.047 8.485 1.00 0.00 C ATOM 1210 O LEU A 86 4.939 -7.928 8.309 1.00 0.00 O ATOM 1211 CB LEU A 86 3.365 -6.093 6.285 1.00 0.00 C ATOM 1212 CG LEU A 86 2.558 -4.866 5.872 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.567 -4.739 4.351 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.120 -5.015 6.362 1.00 0.00 C ATOM 0 H LEU A 86 6.112 -6.150 7.229 1.00 0.00 H new ATOM 0 HA LEU A 86 3.554 -5.017 8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.087 -6.345 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.706 -6.954 6.398 1.00 0.00 H new ATOM 0 HG LEU A 86 3.002 -3.974 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.990 -3.862 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.594 -4.633 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.123 -5.631 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.543 -4.139 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.676 -5.907 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.113 -5.106 7.448 1.00 0.00 H new ATOM 1226 N ARG A 87 3.170 -7.111 9.439 1.00 0.00 N ATOM 1227 CA ARG A 87 3.081 -8.237 10.346 1.00 0.00 C ATOM 1228 C ARG A 87 1.730 -8.921 10.188 1.00 0.00 C ATOM 1229 O ARG A 87 0.713 -8.256 10.005 1.00 0.00 O ATOM 1230 CB ARG A 87 3.275 -7.751 11.780 1.00 0.00 C ATOM 1231 CG ARG A 87 4.637 -8.211 12.292 1.00 0.00 C ATOM 1232 CD ARG A 87 5.476 -6.994 12.670 1.00 0.00 C ATOM 1233 NE ARG A 87 5.690 -6.932 14.116 1.00 0.00 N ATOM 1234 CZ ARG A 87 4.780 -6.436 14.965 1.00 0.00 C ATOM 1235 NH1 ARG A 87 3.613 -5.970 14.498 1.00 0.00 N ATOM 1236 NH2 ARG A 87 5.035 -6.406 16.280 1.00 0.00 N ATOM 0 H ARG A 87 2.468 -6.388 9.597 1.00 0.00 H new ATOM 0 HA ARG A 87 3.862 -8.960 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.208 -6.664 11.819 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.483 -8.143 12.419 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.511 -8.862 13.157 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.148 -8.794 11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.437 -7.038 12.158 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.977 -6.085 12.334 1.00 0.00 H new ATOM 0 HE ARG A 87 6.570 -7.282 14.494 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.418 -5.993 13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.920 -5.592 15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.923 -6.761 16.636 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.341 -6.028 16.925 1.00 0.00 H new ATOM 1250 N HIS A 88 1.721 -10.254 10.258 1.00 0.00 N ATOM 1251 CA HIS A 88 0.496 -11.016 10.120 1.00 0.00 C ATOM 1252 C HIS A 88 0.226 -11.802 11.396 1.00 0.00 C ATOM 1253 O HIS A 88 -0.296 -11.256 12.365 1.00 0.00 O ATOM 1254 CB HIS A 88 0.614 -11.954 8.923 1.00 0.00 C ATOM 1255 CG HIS A 88 -0.419 -13.047 8.938 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -0.238 -14.335 8.510 1.00 0.00 N flip ATOM 1257 CD2 HIS A 88 -1.716 -12.932 9.384 1.00 0.00 C flip ATOM 1258 CE1 HIS A 88 -1.442 -15.020 8.697 1.00 0.00 C flip ATOM 1259 NE2 HIS A 88 -2.302 -14.133 9.226 1.00 0.00 N flip ATOM 0 H HIS A 88 2.555 -10.821 10.410 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.340 -10.337 9.954 1.00 0.00 H new ATOM 0 HB2 HIS A 88 0.514 -11.377 8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.609 -12.400 8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.178 -12.043 9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.641 -16.055 8.463 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.269 -14.342 9.474 1.00 0.00 H new ATOM 1267 N THR A 89 0.583 -13.088 11.394 1.00 0.00 N ATOM 1268 CA THR A 89 0.378 -13.937 12.550 1.00 0.00 C ATOM 1269 C THR A 89 1.349 -15.108 12.514 1.00 0.00 C ATOM 1270 O THR A 89 1.837 -15.547 13.553 1.00 0.00 O ATOM 1271 CB THR A 89 -1.066 -14.432 12.566 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.356 -15.071 11.343 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.009 -13.248 12.758 1.00 0.00 C ATOM 0 H THR A 89 1.016 -13.557 10.598 1.00 0.00 H new ATOM 0 HA THR A 89 0.565 -13.367 13.460 1.00 0.00 H new ATOM 0 HB THR A 89 -1.199 -15.138 13.386 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.097 -14.608 10.900 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.040 -13.602 12.769 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.785 -12.754 13.703 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.877 -12.541 11.939 1.00 0.00 H new ATOM 1281 N VAL A 90 1.630 -15.614 11.311 1.00 0.00 N ATOM 1282 CA VAL A 90 2.540 -16.729 11.143 1.00 0.00 C ATOM 1283 C VAL A 90 3.858 -16.427 11.842 1.00 0.00 C ATOM 1284 O VAL A 90 4.264 -15.271 11.932 1.00 0.00 O ATOM 1285 CB VAL A 90 2.762 -16.984 9.655 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.446 -17.407 9.009 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.267 -15.706 8.990 1.00 0.00 C ATOM 0 H VAL A 90 1.234 -15.261 10.440 1.00 0.00 H new ATOM 0 HA VAL A 90 2.111 -17.625 11.591 1.00 0.00 H new ATOM 0 HB VAL A 90 3.500 -17.776 9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.604 -17.589 7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.084 -18.319 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.708 -16.615 9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.426 -15.887 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.529 -14.914 9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.207 -15.403 9.451 1.00 0.00 H new ATOM 1297 N ASN A 91 4.526 -17.472 12.336 1.00 0.00 N ATOM 1298 CA ASN A 91 5.793 -17.312 13.022 1.00 0.00 C ATOM 1299 C ASN A 91 6.644 -16.273 12.304 1.00 0.00 C ATOM 1300 O ASN A 91 7.336 -15.484 12.944 1.00 0.00 O ATOM 1301 CB ASN A 91 6.513 -18.656 13.076 1.00 0.00 C ATOM 1302 CG ASN A 91 6.380 -19.288 14.455 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.526 -18.888 15.242 1.00 0.00 O ATOM 1304 ND2 ASN A 91 7.228 -20.278 14.744 1.00 0.00 N ATOM 0 H ASN A 91 4.203 -18.437 12.269 1.00 0.00 H new ATOM 0 HA ASN A 91 5.617 -16.966 14.041 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.098 -19.326 12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.567 -18.519 12.835 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.184 -20.738 15.653 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.920 -20.574 14.056 1.00 0.00 H new ATOM 1311 N LYS A 92 6.590 -16.274 10.970 1.00 0.00 N ATOM 1312 CA LYS A 92 7.354 -15.334 10.175 1.00 0.00 C ATOM 1313 C LYS A 92 6.434 -14.252 9.626 1.00 0.00 C ATOM 1314 O LYS A 92 5.922 -13.428 10.381 1.00 0.00 O ATOM 1315 CB LYS A 92 8.051 -16.078 9.039 1.00 0.00 C ATOM 1316 CG LYS A 92 8.993 -17.128 9.622 1.00 0.00 C ATOM 1317 CD LYS A 92 10.383 -16.957 9.017 1.00 0.00 C ATOM 1318 CE LYS A 92 11.224 -18.195 9.314 1.00 0.00 C ATOM 1319 NZ LYS A 92 10.709 -19.368 8.590 1.00 0.00 N ATOM 0 H LYS A 92 6.021 -16.921 10.424 1.00 0.00 H new ATOM 0 HA LYS A 92 8.110 -14.857 10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.312 -16.554 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.610 -15.377 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.042 -17.026 10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.614 -18.128 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.306 -16.806 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.864 -16.070 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.260 -18.013 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.219 -18.394 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.481 -20.048 8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.957 -19.819 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.324 -19.068 7.672 1.00 0.00 H new ATOM 1333 N ILE A 93 6.226 -14.258 8.308 1.00 0.00 N ATOM 1334 CA ILE A 93 5.370 -13.282 7.663 1.00 0.00 C ATOM 1335 C ILE A 93 4.554 -13.955 6.569 1.00 0.00 C ATOM 1336 O ILE A 93 3.349 -14.146 6.718 1.00 0.00 O ATOM 1337 CB ILE A 93 6.225 -12.157 7.087 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.634 -12.677 6.815 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.292 -11.006 8.087 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.332 -11.757 5.818 1.00 0.00 C ATOM 0 H ILE A 93 6.645 -14.935 7.670 1.00 0.00 H new ATOM 0 HA ILE A 93 4.681 -12.858 8.393 1.00 0.00 H new ATOM 0 HB ILE A 93 5.782 -11.804 6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.202 -12.722 7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.589 -13.692 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.903 -10.202 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.286 -10.634 8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.735 -11.359 9.018 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.338 -12.128 5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.767 -11.735 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.390 -10.750 6.231 1.00 0.00 H new ATOM 1352 N THR A 94 5.213 -14.317 5.465 1.00 0.00 N ATOM 1353 CA THR A 94 4.544 -14.966 4.357 1.00 0.00 C ATOM 1354 C THR A 94 3.375 -14.113 3.885 1.00 0.00 C ATOM 1355 O THR A 94 2.380 -13.973 4.591 1.00 0.00 O ATOM 1356 CB THR A 94 4.063 -16.347 4.793 1.00 0.00 C ATOM 1357 OG1 THR A 94 2.849 -16.220 5.499 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.112 -16.989 5.696 1.00 0.00 C ATOM 0 H THR A 94 6.212 -14.167 5.324 1.00 0.00 H new ATOM 0 HA THR A 94 5.240 -15.082 3.526 1.00 0.00 H new ATOM 0 HB THR A 94 3.909 -16.973 3.914 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.684 -15.275 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.769 -17.976 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.051 -17.087 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.267 -16.364 6.575 1.00 0.00 H new ATOM 1366 N PHE A 95 3.499 -13.542 2.684 1.00 0.00 N ATOM 1367 CA PHE A 95 2.454 -12.708 2.125 1.00 0.00 C ATOM 1368 C PHE A 95 1.339 -13.581 1.567 1.00 0.00 C ATOM 1369 O PHE A 95 1.487 -14.797 1.474 1.00 0.00 O ATOM 1370 CB PHE A 95 3.043 -11.819 1.034 1.00 0.00 C ATOM 1371 CG PHE A 95 2.074 -10.789 0.506 1.00 0.00 C ATOM 1372 CD1 PHE A 95 1.312 -10.024 1.397 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.935 -10.601 -0.874 1.00 0.00 C ATOM 1374 CE1 PHE A 95 0.411 -9.070 0.908 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.034 -9.647 -1.364 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.272 -8.882 -0.473 1.00 0.00 C ATOM 0 H PHE A 95 4.318 -13.648 2.086 1.00 0.00 H new ATOM 0 HA PHE A 95 2.034 -12.073 2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.923 -11.310 1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.380 -12.446 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.419 -10.170 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.523 -11.192 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.176 -8.479 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.927 -9.502 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.423 -8.147 -0.851 1.00 0.00 H new ATOM 1386 N SER A 96 0.219 -12.956 1.195 1.00 0.00 N ATOM 1387 CA SER A 96 -0.912 -13.678 0.648 1.00 0.00 C ATOM 1388 C SER A 96 -1.865 -12.706 -0.034 1.00 0.00 C ATOM 1389 O SER A 96 -2.218 -12.893 -1.196 1.00 0.00 O ATOM 1390 CB SER A 96 -1.621 -14.434 1.768 1.00 0.00 C ATOM 1391 OG SER A 96 -0.936 -15.639 2.029 1.00 0.00 O ATOM 0 H SER A 96 0.080 -11.948 1.267 1.00 0.00 H new ATOM 0 HA SER A 96 -0.565 -14.396 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.657 -13.821 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.652 -14.644 1.484 1.00 0.00 H new ATOM 0 HG SER A 96 -0.093 -15.651 1.529 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.280 -11.666 0.692 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.186 -10.672 0.151 1.00 0.00 C ATOM 1399 C GLU A 97 -4.600 -11.233 0.096 1.00 0.00 C ATOM 1400 O GLU A 97 -5.319 -11.016 -0.876 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.714 -10.259 -1.240 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.313 -8.903 -1.599 1.00 0.00 C ATOM 1403 CD GLU A 97 -4.483 -9.062 -2.559 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.517 -10.109 -3.243 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -5.321 -8.136 -2.592 1.00 0.00 O ATOM 0 H GLU A 97 -1.998 -11.497 1.658 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.192 -9.793 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.626 -10.206 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.014 -11.007 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.647 -8.397 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.549 -8.272 -2.053 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.997 -11.957 1.146 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.319 -12.545 1.212 1.00 0.00 C ATOM 1415 C GLN A 98 -6.947 -12.254 2.568 1.00 0.00 C ATOM 1416 O GLN A 98 -8.113 -11.874 2.646 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.218 -14.049 0.974 1.00 0.00 C ATOM 1418 CG GLN A 98 -6.987 -14.418 -0.292 1.00 0.00 C ATOM 1419 CD GLN A 98 -7.380 -15.888 -0.279 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -7.584 -16.469 0.784 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -7.485 -16.489 -1.467 1.00 0.00 N ATOM 0 H GLN A 98 -4.412 -12.145 1.960 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.954 -12.110 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.173 -14.343 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.623 -14.591 1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.881 -13.799 -0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.374 -14.209 -1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.305 -15.963 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.745 -17.474 -1.519 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.168 -12.434 3.637 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.644 -12.191 4.984 1.00 0.00 C ATOM 1432 C CYS A 99 -6.511 -10.711 5.313 1.00 0.00 C ATOM 1433 O CYS A 99 -6.702 -9.863 4.445 1.00 0.00 O ATOM 1434 CB CYS A 99 -5.842 -13.040 5.967 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.753 -14.734 5.335 1.00 0.00 S ATOM 0 H CYS A 99 -5.199 -12.750 3.586 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.695 -12.469 5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.840 -12.630 6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -6.314 -13.028 6.949 1.00 0.00 H new ATOM 0 HG CYS A 99 -5.070 -15.470 6.161 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.182 -10.402 6.569 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.028 -9.028 7.001 1.00 0.00 C ATOM 1443 C TYR A 100 -4.803 -8.902 7.896 1.00 0.00 C ATOM 1444 O TYR A 100 -4.718 -9.559 8.931 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.287 -8.585 7.742 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.686 -9.517 8.862 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.301 -10.740 8.568 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.442 -9.157 10.192 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -8.671 -11.604 9.606 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -7.812 -10.022 11.230 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.426 -11.245 10.937 1.00 0.00 C ATOM 1452 OH TYR A 100 -8.787 -12.087 11.948 1.00 0.00 O ATOM 0 H TYR A 100 -6.018 -11.094 7.301 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.887 -8.384 6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.127 -7.587 8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.110 -8.510 7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.490 -11.017 7.541 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.969 -8.213 10.418 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.145 -12.547 9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.623 -9.745 12.257 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.545 -11.687 12.809 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.853 -8.054 7.495 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.640 -7.850 8.261 1.00 0.00 C ATOM 1464 C TYR A 101 -2.579 -6.412 8.756 1.00 0.00 C ATOM 1465 O TYR A 101 -3.524 -5.648 8.570 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.430 -8.174 7.390 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.338 -9.631 7.004 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.196 -10.567 7.595 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.394 -10.046 6.057 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.110 -11.918 7.238 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.308 -11.397 5.700 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.166 -12.333 6.291 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.082 -13.649 5.943 1.00 0.00 O ATOM 0 H TYR A 101 -3.909 -7.500 6.640 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.636 -8.512 9.127 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.472 -7.568 6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.522 -7.889 7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.924 -10.247 8.326 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.268 -9.324 5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.772 -12.640 7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.420 -11.717 4.969 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.538 -14.128 6.603 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.462 -6.044 9.388 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.283 -4.702 9.906 1.00 0.00 C ATOM 1485 C VAL A 102 0.197 -4.344 9.905 1.00 0.00 C ATOM 1486 O VAL A 102 1.032 -5.147 10.316 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.859 -4.621 11.316 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.820 -4.016 12.256 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -3.107 -3.744 11.306 1.00 0.00 C ATOM 0 H VAL A 102 -0.670 -6.666 9.550 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.810 -3.989 9.272 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.121 -5.622 11.659 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.231 -3.958 13.264 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.072 -4.642 12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.558 -3.015 11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.519 -3.686 12.313 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.846 -2.743 10.963 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.850 -4.175 10.635 1.00 0.00 H new ATOM 1499 N PHE A 103 0.520 -3.134 9.443 1.00 0.00 N ATOM 1500 CA PHE A 103 1.895 -2.679 9.393 1.00 0.00 C ATOM 1501 C PHE A 103 2.662 -3.222 10.590 1.00 0.00 C ATOM 1502 O PHE A 103 2.069 -3.535 11.620 1.00 0.00 O ATOM 1503 CB PHE A 103 1.924 -1.153 9.379 1.00 0.00 C ATOM 1504 CG PHE A 103 1.139 -0.525 10.506 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.546 -0.712 11.832 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.006 0.248 10.224 1.00 0.00 C ATOM 1507 CE1 PHE A 103 0.820 -0.128 12.877 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.720 0.833 11.269 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.313 0.645 12.595 1.00 0.00 C ATOM 0 H PHE A 103 -0.160 -2.456 9.099 1.00 0.00 H new ATOM 0 HA PHE A 103 2.372 -3.047 8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.959 -0.817 9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.526 -0.799 8.428 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.421 -1.307 12.049 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.308 0.393 9.201 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.134 -0.274 13.900 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.594 1.429 11.052 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.873 1.096 13.401 1.00 0.00 H new ATOM 1519 N GLY A 104 3.986 -3.334 10.454 1.00 0.00 N ATOM 1520 CA GLY A 104 4.821 -3.839 11.525 1.00 0.00 C ATOM 1521 C GLY A 104 6.102 -3.022 11.624 1.00 0.00 C ATOM 1522 O GLY A 104 6.121 -1.846 11.266 1.00 0.00 O ATOM 0 H GLY A 104 4.495 -3.079 9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.279 -3.795 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.062 -4.887 11.345 1.00 0.00 H new ATOM 1526 N ASP A 105 7.174 -3.648 12.113 1.00 0.00 N ATOM 1527 CA ASP A 105 8.451 -2.978 12.258 1.00 0.00 C ATOM 1528 C ASP A 105 9.494 -3.963 12.767 1.00 0.00 C ATOM 1529 O ASP A 105 9.329 -4.547 13.836 1.00 0.00 O ATOM 1530 CB ASP A 105 8.301 -1.803 13.220 1.00 0.00 C ATOM 1531 CG ASP A 105 8.234 -0.485 12.461 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.610 -0.496 11.269 1.00 0.00 O ATOM 1533 OD2 ASP A 105 7.808 0.509 13.088 1.00 0.00 O ATOM 0 H ASP A 105 7.174 -4.622 12.414 1.00 0.00 H new ATOM 0 HA ASP A 105 8.780 -2.598 11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.398 -1.930 13.817 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.142 -1.786 13.913 1.00 0.00 H new TER 1539 ASP A 105