USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 0.323 K(o=1.4,f=-0.58) USER MOD Set 1.2: A 111 ASN : amide:sc= 1.08 K(o=1.4,f=-0.28) USER MOD Set 2.1: A 61 THR OG1 : rot 98:sc= 1.24 USER MOD Set 2.2: A 64 HIS : no HE2:sc= 0.0605 K(o=1.3,f=-2.9!) USER MOD Set 2.3: A 104 TYR OH : rot 180:sc= -0.0279 USER MOD Set 3.1: A 66 HIS : no HD1:sc= -0.0788 K(o=-0.46,f=-1.5) USER MOD Set 3.2: A 95 GLN : amide:sc= -0.382 X(o=-0.46,f=-0.13) USER MOD Set 3.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 24 LYS NZ :NH3+ 178:sc= 0.802 (180deg=-0.00523) USER MOD Set 4.2: A 136 SER OG : rot -120:sc= 0.712 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= 0.761 K(o=0.76,f=-2.6!) USER MOD Single : A 29 SER OG : rot -140:sc= 0.887 USER MOD Single : A 35 SER OG : rot 79:sc= 1.28 USER MOD Single : A 41 MET CE :methyl -159:sc= -0.412 (180deg=-0.985) USER MOD Single : A 44 ASN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 80:sc= 0.234 USER MOD Single : A 71 MET CE :methyl -119:sc= 0 (180deg=-0.267) USER MOD Single : A 75 GLN : amide:sc= -1.03 X(o=-1,f=-0.58) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -130:sc= -0.025 USER MOD Single : A 89 SER OG : rot -106:sc= 1.32 USER MOD Single : A 93 GLN : amide:sc= 0.547 K(o=0.55,f=-0.04) USER MOD Single : A 109 SER OG : rot 78:sc= 0.04 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 84:sc= 0.928 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0675 X(o=-0.067,f=-0.067) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 174:sc= 0 (180deg=-0.0241) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.348 28.814 -4.951 1.00 0.00 N ATOM 2 CA MET A 23 6.116 27.392 -5.243 1.00 0.00 C ATOM 3 C MET A 23 6.638 26.556 -4.092 1.00 0.00 C ATOM 4 O MET A 23 7.846 26.528 -3.842 1.00 0.00 O ATOM 5 CB MET A 23 6.783 26.975 -6.563 1.00 0.00 C ATOM 6 CG MET A 23 6.579 25.491 -6.891 1.00 0.00 C ATOM 7 SD MET A 23 4.865 24.959 -7.123 1.00 0.00 S ATOM 8 CE MET A 23 4.633 25.484 -8.842 1.00 0.00 C ATOM 0 HA MET A 23 5.045 27.227 -5.356 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.380 27.580 -7.375 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.851 27.186 -6.507 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.136 25.260 -7.799 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.017 24.898 -6.088 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.622 25.236 -9.165 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.784 26.561 -8.917 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.353 24.971 -9.479 1.00 0.00 H new ATOM 20 N LYS A 24 5.738 25.864 -3.396 1.00 0.00 N ATOM 21 CA LYS A 24 6.080 24.871 -2.393 1.00 0.00 C ATOM 22 C LYS A 24 4.966 23.844 -2.345 1.00 0.00 C ATOM 23 O LYS A 24 3.794 24.215 -2.246 1.00 0.00 O ATOM 24 CB LYS A 24 6.285 25.557 -1.038 1.00 0.00 C ATOM 25 CG LYS A 24 6.583 24.589 0.110 1.00 0.00 C ATOM 26 CD LYS A 24 7.726 23.611 -0.196 1.00 0.00 C ATOM 27 CE LYS A 24 8.462 23.210 1.082 1.00 0.00 C ATOM 28 NZ LYS A 24 7.660 22.332 1.957 1.00 0.00 N ATOM 0 H LYS A 24 4.733 25.984 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 24 7.012 24.365 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.107 26.268 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.391 26.131 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.835 25.162 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.681 24.021 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.327 22.722 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.426 24.071 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.389 22.701 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.738 24.109 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.222 22.066 2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.803 22.836 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.389 21.475 1.434 1.00 0.00 H new ATOM 42 N VAL A 25 5.318 22.570 -2.419 1.00 0.00 N ATOM 43 CA VAL A 25 4.414 21.431 -2.402 1.00 0.00 C ATOM 44 C VAL A 25 5.177 20.318 -1.666 1.00 0.00 C ATOM 45 O VAL A 25 6.411 20.305 -1.749 1.00 0.00 O ATOM 46 CB VAL A 25 4.126 21.028 -3.868 1.00 0.00 C ATOM 47 CG1 VAL A 25 3.040 19.954 -3.999 1.00 0.00 C ATOM 48 CG2 VAL A 25 3.695 22.199 -4.771 1.00 0.00 C ATOM 0 H VAL A 25 6.295 22.288 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 25 3.462 21.637 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 25 5.090 20.643 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.887 19.718 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.351 19.055 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.108 20.325 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.513 21.832 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.782 22.645 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.485 22.950 -4.795 1.00 0.00 H new ATOM 58 N PRO A 26 4.526 19.371 -0.973 1.00 0.00 N ATOM 59 CA PRO A 26 5.227 18.189 -0.483 1.00 0.00 C ATOM 60 C PRO A 26 5.740 17.366 -1.676 1.00 0.00 C ATOM 61 O PRO A 26 5.053 17.308 -2.703 1.00 0.00 O ATOM 62 CB PRO A 26 4.202 17.410 0.348 1.00 0.00 C ATOM 63 CG PRO A 26 2.857 17.890 -0.190 1.00 0.00 C ATOM 64 CD PRO A 26 3.126 19.340 -0.585 1.00 0.00 C ATOM 0 HA PRO A 26 6.097 18.438 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.321 16.334 0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.306 17.622 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.531 17.296 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.074 17.819 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.482 19.651 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.932 20.018 0.246 1.00 0.00 H new ATOM 72 N PRO A 27 6.885 16.670 -1.564 1.00 0.00 N ATOM 73 CA PRO A 27 7.467 15.843 -2.627 1.00 0.00 C ATOM 74 C PRO A 27 6.721 14.510 -2.830 1.00 0.00 C ATOM 75 O PRO A 27 7.328 13.516 -3.230 1.00 0.00 O ATOM 76 CB PRO A 27 8.930 15.648 -2.204 1.00 0.00 C ATOM 77 CG PRO A 27 8.838 15.624 -0.682 1.00 0.00 C ATOM 78 CD PRO A 27 7.763 16.671 -0.402 1.00 0.00 C ATOM 0 HA PRO A 27 7.386 16.324 -3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.346 14.721 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.566 16.459 -2.559 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.554 14.640 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.788 15.882 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.209 16.428 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.207 17.655 -0.250 1.00 0.00 H new ATOM 86 N HIS A 28 5.429 14.461 -2.502 1.00 0.00 N ATOM 87 CA HIS A 28 4.593 13.276 -2.565 1.00 0.00 C ATOM 88 C HIS A 28 4.645 12.655 -3.966 1.00 0.00 C ATOM 89 O HIS A 28 4.480 13.348 -4.977 1.00 0.00 O ATOM 90 CB HIS A 28 3.157 13.628 -2.138 1.00 0.00 C ATOM 91 CG HIS A 28 2.402 14.492 -3.123 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.693 15.793 -3.481 1.00 0.00 N ATOM 93 CD2 HIS A 28 1.344 14.081 -3.889 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.835 16.155 -4.447 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.991 15.147 -4.726 1.00 0.00 N ATOM 0 H HIS A 28 4.922 15.283 -2.173 1.00 0.00 H new ATOM 0 HA HIS A 28 4.972 12.526 -1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.600 12.703 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.193 14.142 -1.177 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.429 16.375 -3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.869 13.112 -3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.824 17.120 -4.932 1.00 0.00 H new ATOM 103 N SER A 29 4.849 11.344 -4.027 1.00 0.00 N ATOM 104 CA SER A 29 4.958 10.591 -5.263 1.00 0.00 C ATOM 105 C SER A 29 4.008 9.410 -5.138 1.00 0.00 C ATOM 106 O SER A 29 4.398 8.325 -4.714 1.00 0.00 O ATOM 107 CB SER A 29 6.417 10.203 -5.517 1.00 0.00 C ATOM 108 OG SER A 29 7.206 11.366 -5.723 1.00 0.00 O ATOM 0 H SER A 29 4.945 10.764 -3.194 1.00 0.00 H new ATOM 0 HA SER A 29 4.669 11.173 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.804 9.638 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.481 9.552 -6.389 1.00 0.00 H new ATOM 0 HG SER A 29 7.854 11.199 -6.439 1.00 0.00 H new ATOM 114 N ILE A 30 2.741 9.648 -5.483 1.00 0.00 N ATOM 115 CA ILE A 30 1.682 8.653 -5.452 1.00 0.00 C ATOM 116 C ILE A 30 2.136 7.405 -6.201 1.00 0.00 C ATOM 117 O ILE A 30 1.943 6.300 -5.722 1.00 0.00 O ATOM 118 CB ILE A 30 0.362 9.283 -5.992 1.00 0.00 C ATOM 119 CG1 ILE A 30 -0.623 9.355 -4.818 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.263 8.607 -7.232 1.00 0.00 C ATOM 121 CD1 ILE A 30 -2.025 9.808 -5.207 1.00 0.00 C ATOM 0 H ILE A 30 2.421 10.564 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 30 1.469 8.332 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 30 0.611 10.272 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.687 8.372 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.227 10.039 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.175 9.134 -7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.445 8.640 -8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.501 7.569 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.659 9.832 -4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.977 10.805 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.444 9.112 -5.934 1.00 0.00 H new ATOM 133 N GLU A 31 2.682 7.546 -7.400 1.00 0.00 N ATOM 134 CA GLU A 31 3.107 6.402 -8.190 1.00 0.00 C ATOM 135 C GLU A 31 4.286 5.636 -7.592 1.00 0.00 C ATOM 136 O GLU A 31 4.359 4.416 -7.728 1.00 0.00 O ATOM 137 CB GLU A 31 3.264 6.852 -9.628 1.00 0.00 C ATOM 138 CG GLU A 31 1.844 7.048 -10.212 1.00 0.00 C ATOM 139 CD GLU A 31 1.693 8.395 -10.911 1.00 0.00 C ATOM 140 OE1 GLU A 31 1.671 9.429 -10.205 1.00 0.00 O ATOM 141 OE2 GLU A 31 1.577 8.444 -12.159 1.00 0.00 O ATOM 0 H GLU A 31 2.841 8.448 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 31 2.336 5.632 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.831 7.781 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.816 6.109 -10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.629 6.247 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.109 6.971 -9.411 1.00 0.00 H new ATOM 148 N ALA A 32 5.182 6.318 -6.882 1.00 0.00 N ATOM 149 CA ALA A 32 6.210 5.656 -6.080 1.00 0.00 C ATOM 150 C ALA A 32 5.551 4.832 -4.969 1.00 0.00 C ATOM 151 O ALA A 32 5.911 3.674 -4.778 1.00 0.00 O ATOM 152 CB ALA A 32 7.210 6.665 -5.506 1.00 0.00 C ATOM 0 H ALA A 32 5.217 7.337 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 32 6.774 4.983 -6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.960 6.138 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.699 7.197 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.684 7.378 -4.871 1.00 0.00 H new ATOM 158 N GLU A 33 4.555 5.397 -4.279 1.00 0.00 N ATOM 159 CA GLU A 33 3.736 4.683 -3.303 1.00 0.00 C ATOM 160 C GLU A 33 3.071 3.456 -3.957 1.00 0.00 C ATOM 161 O GLU A 33 3.142 2.359 -3.396 1.00 0.00 O ATOM 162 CB GLU A 33 2.703 5.639 -2.669 1.00 0.00 C ATOM 163 CG GLU A 33 3.276 6.579 -1.603 1.00 0.00 C ATOM 164 CD GLU A 33 2.231 7.541 -1.010 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.003 7.362 -1.216 1.00 0.00 O ATOM 166 OE2 GLU A 33 2.663 8.487 -0.307 1.00 0.00 O ATOM 0 H GLU A 33 4.294 6.377 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 33 4.373 4.315 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.250 6.239 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.905 5.046 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.708 5.984 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.087 7.161 -2.041 1.00 0.00 H new ATOM 173 N GLN A 34 2.487 3.607 -5.157 1.00 0.00 N ATOM 174 CA GLN A 34 1.897 2.495 -5.904 1.00 0.00 C ATOM 175 C GLN A 34 2.946 1.406 -6.146 1.00 0.00 C ATOM 176 O GLN A 34 2.664 0.225 -5.965 1.00 0.00 O ATOM 177 CB GLN A 34 1.344 2.895 -7.284 1.00 0.00 C ATOM 178 CG GLN A 34 0.187 3.895 -7.282 1.00 0.00 C ATOM 179 CD GLN A 34 -0.489 3.999 -8.648 1.00 0.00 C ATOM 180 OE1 GLN A 34 0.041 3.604 -9.684 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.693 4.536 -8.687 1.00 0.00 N ATOM 0 H GLN A 34 2.413 4.506 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 34 1.070 2.145 -5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.160 3.316 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.015 1.991 -7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.549 3.595 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.558 4.876 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.133 4.864 -7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.184 4.623 -9.577 1.00 0.00 H new ATOM 190 N SER A 35 4.146 1.810 -6.576 1.00 0.00 N ATOM 191 CA SER A 35 5.213 0.919 -7.009 1.00 0.00 C ATOM 192 C SER A 35 5.602 -0.067 -5.904 1.00 0.00 C ATOM 193 O SER A 35 5.951 -1.210 -6.202 1.00 0.00 O ATOM 194 CB SER A 35 6.433 1.743 -7.443 1.00 0.00 C ATOM 195 OG SER A 35 6.130 2.632 -8.510 1.00 0.00 O ATOM 0 H SER A 35 4.403 2.795 -6.632 1.00 0.00 H new ATOM 0 HA SER A 35 4.849 0.338 -7.856 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.805 2.313 -6.592 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.233 1.070 -7.750 1.00 0.00 H new ATOM 0 HG SER A 35 5.666 3.420 -8.158 1.00 0.00 H new ATOM 201 N VAL A 36 5.535 0.356 -4.640 1.00 0.00 N ATOM 202 CA VAL A 36 5.802 -0.512 -3.504 1.00 0.00 C ATOM 203 C VAL A 36 4.630 -1.471 -3.301 1.00 0.00 C ATOM 204 O VAL A 36 4.831 -2.680 -3.229 1.00 0.00 O ATOM 205 CB VAL A 36 6.078 0.333 -2.244 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.433 -0.583 -1.076 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.250 1.299 -2.456 1.00 0.00 C ATOM 0 H VAL A 36 5.293 1.312 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 36 6.693 -1.109 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 36 5.175 0.905 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.627 0.018 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.603 -1.261 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.323 -1.161 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.414 1.877 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.150 0.732 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.020 1.975 -3.279 1.00 0.00 H new ATOM 217 N LEU A 37 3.411 -0.945 -3.184 1.00 0.00 N ATOM 218 CA LEU A 37 2.231 -1.721 -2.809 1.00 0.00 C ATOM 219 C LEU A 37 1.866 -2.750 -3.873 1.00 0.00 C ATOM 220 O LEU A 37 1.385 -3.832 -3.542 1.00 0.00 O ATOM 221 CB LEU A 37 1.066 -0.757 -2.568 1.00 0.00 C ATOM 222 CG LEU A 37 1.291 0.165 -1.356 1.00 0.00 C ATOM 223 CD1 LEU A 37 0.191 1.220 -1.317 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.333 -0.577 -0.014 1.00 0.00 C ATOM 0 H LEU A 37 3.214 0.042 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 37 2.451 -2.276 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.916 -0.147 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.152 -1.331 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 37 2.272 0.621 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.346 1.876 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.219 1.809 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.779 0.731 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.495 0.138 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.387 -1.095 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.147 -1.302 -0.024 1.00 0.00 H new ATOM 236 N GLY A 38 2.077 -2.428 -5.144 1.00 0.00 N ATOM 237 CA GLY A 38 1.990 -3.382 -6.237 1.00 0.00 C ATOM 238 C GLY A 38 3.152 -4.375 -6.169 1.00 0.00 C ATOM 239 O GLY A 38 2.960 -5.576 -6.368 1.00 0.00 O ATOM 0 H GLY A 38 2.316 -1.483 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.042 -3.917 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.008 -2.855 -7.191 1.00 0.00 H new ATOM 243 N GLY A 39 4.354 -3.899 -5.831 1.00 0.00 N ATOM 244 CA GLY A 39 5.536 -4.725 -5.660 1.00 0.00 C ATOM 245 C GLY A 39 5.330 -5.838 -4.638 1.00 0.00 C ATOM 246 O GLY A 39 5.785 -6.953 -4.865 1.00 0.00 O ATOM 0 H GLY A 39 4.528 -2.907 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.810 -5.164 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.371 -4.098 -5.346 1.00 0.00 H new ATOM 250 N LEU A 40 4.608 -5.576 -3.549 1.00 0.00 N ATOM 251 CA LEU A 40 4.333 -6.558 -2.499 1.00 0.00 C ATOM 252 C LEU A 40 3.486 -7.732 -2.998 1.00 0.00 C ATOM 253 O LEU A 40 3.651 -8.856 -2.522 1.00 0.00 O ATOM 254 CB LEU A 40 3.622 -5.860 -1.329 1.00 0.00 C ATOM 255 CG LEU A 40 4.531 -4.898 -0.545 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.714 -4.080 0.454 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.616 -5.667 0.203 1.00 0.00 C ATOM 0 H LEU A 40 4.191 -4.663 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 40 5.288 -6.971 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.765 -5.306 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.233 -6.616 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 40 5.000 -4.226 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.375 -3.406 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.962 -3.499 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.221 -4.751 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.247 -4.967 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.152 -6.362 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.225 -6.223 -0.510 1.00 0.00 H new ATOM 269 N MET A 41 2.587 -7.488 -3.954 1.00 0.00 N ATOM 270 CA MET A 41 1.779 -8.516 -4.611 1.00 0.00 C ATOM 271 C MET A 41 2.632 -9.304 -5.618 1.00 0.00 C ATOM 272 O MET A 41 2.318 -10.455 -5.929 1.00 0.00 O ATOM 273 CB MET A 41 0.644 -7.826 -5.376 1.00 0.00 C ATOM 274 CG MET A 41 -0.309 -6.996 -4.515 1.00 0.00 C ATOM 275 SD MET A 41 -1.140 -5.730 -5.508 1.00 0.00 S ATOM 276 CE MET A 41 -2.376 -5.185 -4.323 1.00 0.00 C ATOM 0 H MET A 41 2.397 -6.548 -4.300 1.00 0.00 H new ATOM 0 HA MET A 41 1.387 -9.200 -3.858 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.081 -7.177 -6.135 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.066 -8.587 -5.901 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.051 -7.648 -4.055 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.245 -6.523 -3.705 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.196 -4.698 -4.851 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.758 -6.046 -3.774 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.925 -4.481 -3.624 1.00 0.00 H new ATOM 286 N LEU A 42 3.687 -8.687 -6.159 1.00 0.00 N ATOM 287 CA LEU A 42 4.637 -9.298 -7.083 1.00 0.00 C ATOM 288 C LEU A 42 5.619 -10.207 -6.350 1.00 0.00 C ATOM 289 O LEU A 42 5.891 -11.324 -6.793 1.00 0.00 O ATOM 290 CB LEU A 42 5.356 -8.198 -7.885 1.00 0.00 C ATOM 291 CG LEU A 42 5.705 -8.628 -9.324 1.00 0.00 C ATOM 292 CD1 LEU A 42 5.943 -7.391 -10.188 1.00 0.00 C ATOM 293 CD2 LEU A 42 6.969 -9.491 -9.379 1.00 0.00 C ATOM 0 H LEU A 42 3.908 -7.712 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 42 4.094 -9.933 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.724 -7.311 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.271 -7.917 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 42 4.863 -9.214 -9.694 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.189 -7.699 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.041 -6.779 -10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.768 -6.812 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.175 -9.769 -10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.812 -8.927 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.821 -10.392 -8.783 1.00 0.00 H new ATOM 305 N ASP A 43 6.158 -9.727 -5.237 1.00 0.00 N ATOM 306 CA ASP A 43 7.274 -10.319 -4.511 1.00 0.00 C ATOM 307 C ASP A 43 7.057 -10.156 -3.018 1.00 0.00 C ATOM 308 O ASP A 43 7.410 -9.152 -2.402 1.00 0.00 O ATOM 309 CB ASP A 43 8.580 -9.694 -4.997 1.00 0.00 C ATOM 310 CG ASP A 43 9.806 -10.390 -4.417 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.703 -11.593 -4.081 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.892 -9.766 -4.402 1.00 0.00 O ATOM 0 H ASP A 43 5.813 -8.875 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 43 7.336 -11.390 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.619 -9.741 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.600 -8.639 -4.722 1.00 0.00 H new ATOM 317 N ASN A 44 6.400 -11.163 -2.447 1.00 0.00 N ATOM 318 CA ASN A 44 5.886 -11.114 -1.079 1.00 0.00 C ATOM 319 C ASN A 44 6.997 -10.951 -0.044 1.00 0.00 C ATOM 320 O ASN A 44 6.733 -10.400 1.024 1.00 0.00 O ATOM 321 CB ASN A 44 5.099 -12.381 -0.707 1.00 0.00 C ATOM 322 CG ASN A 44 3.792 -12.627 -1.450 1.00 0.00 C ATOM 323 OD1 ASN A 44 3.337 -13.766 -1.484 1.00 0.00 O ATOM 324 ND2 ASN A 44 3.150 -11.625 -2.026 1.00 0.00 N ATOM 0 H ASN A 44 6.207 -12.044 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 44 5.229 -10.244 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.748 -13.242 -0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.880 -12.343 0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.266 -11.794 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.539 -10.683 -1.991 1.00 0.00 H new ATOM 331 N GLU A 45 8.227 -11.396 -0.335 1.00 0.00 N ATOM 332 CA GLU A 45 9.320 -11.306 0.645 1.00 0.00 C ATOM 333 C GLU A 45 9.668 -9.854 0.963 1.00 0.00 C ATOM 334 O GLU A 45 10.216 -9.544 2.024 1.00 0.00 O ATOM 335 CB GLU A 45 10.558 -12.092 0.184 1.00 0.00 C ATOM 336 CG GLU A 45 11.334 -11.429 -0.962 1.00 0.00 C ATOM 337 CD GLU A 45 12.563 -12.243 -1.373 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.600 -12.140 -0.677 1.00 0.00 O ATOM 339 OE2 GLU A 45 12.556 -12.924 -2.427 1.00 0.00 O ATOM 0 H GLU A 45 8.489 -11.816 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 45 8.967 -11.767 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.228 -12.223 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.246 -13.087 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.676 -11.308 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.647 -10.430 -0.657 1.00 0.00 H new ATOM 346 N ARG A 46 9.287 -8.944 0.067 1.00 0.00 N ATOM 347 CA ARG A 46 9.536 -7.527 0.208 1.00 0.00 C ATOM 348 C ARG A 46 8.625 -6.919 1.257 1.00 0.00 C ATOM 349 O ARG A 46 8.847 -5.763 1.597 1.00 0.00 O ATOM 350 CB ARG A 46 9.343 -6.840 -1.149 1.00 0.00 C ATOM 351 CG ARG A 46 10.177 -7.484 -2.267 1.00 0.00 C ATOM 352 CD ARG A 46 11.664 -7.338 -1.971 1.00 0.00 C ATOM 353 NE ARG A 46 12.492 -7.826 -3.073 1.00 0.00 N ATOM 354 CZ ARG A 46 13.781 -7.511 -3.231 1.00 0.00 C ATOM 355 NH1 ARG A 46 14.398 -6.742 -2.335 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.442 -7.964 -4.285 1.00 0.00 N ATOM 0 H ARG A 46 8.788 -9.185 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 46 10.563 -7.377 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.288 -6.876 -1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.614 -5.788 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.920 -8.539 -2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.942 -7.014 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.895 -6.290 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.909 -7.888 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 46 12.061 -8.443 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.886 -6.392 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.382 -6.504 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.967 -8.550 -4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.426 -7.727 -4.411 1.00 0.00 H new ATOM 370 N TRP A 47 7.662 -7.658 1.818 1.00 0.00 N ATOM 371 CA TRP A 47 6.929 -7.185 2.977 1.00 0.00 C ATOM 372 C TRP A 47 7.904 -6.752 4.056 1.00 0.00 C ATOM 373 O TRP A 47 7.782 -5.655 4.590 1.00 0.00 O ATOM 374 CB TRP A 47 5.995 -8.256 3.529 1.00 0.00 C ATOM 375 CG TRP A 47 5.320 -7.778 4.772 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.715 -8.041 6.038 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.337 -6.713 4.884 1.00 0.00 C ATOM 378 NE1 TRP A 47 4.863 -7.401 6.918 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.153 -6.413 6.264 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.687 -5.892 3.944 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.406 -5.304 6.684 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.935 -4.778 4.352 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.807 -4.475 5.716 1.00 0.00 C ATOM 0 H TRP A 47 7.380 -8.580 1.484 1.00 0.00 H new ATOM 0 HA TRP A 47 6.319 -6.338 2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.247 -8.515 2.780 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.560 -9.164 3.742 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.560 -8.653 6.317 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.772 -7.626 7.909 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.768 -6.122 2.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.291 -5.088 7.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.454 -4.153 3.614 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.248 -3.604 6.024 1.00 0.00 H new ATOM 394 N ASP A 48 8.875 -7.602 4.376 1.00 0.00 N ATOM 395 CA ASP A 48 9.839 -7.293 5.419 1.00 0.00 C ATOM 396 C ASP A 48 10.742 -6.127 5.068 1.00 0.00 C ATOM 397 O ASP A 48 11.290 -5.498 5.965 1.00 0.00 O ATOM 398 CB ASP A 48 10.708 -8.509 5.729 1.00 0.00 C ATOM 399 CG ASP A 48 10.246 -9.192 7.010 1.00 0.00 C ATOM 400 OD1 ASP A 48 10.087 -8.513 8.054 1.00 0.00 O ATOM 401 OD2 ASP A 48 9.964 -10.406 6.966 1.00 0.00 O ATOM 0 H ASP A 48 9.012 -8.508 3.927 1.00 0.00 H new ATOM 0 HA ASP A 48 9.251 -7.012 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.664 -9.214 4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.749 -8.201 5.831 1.00 0.00 H new ATOM 406 N ASP A 49 10.948 -5.872 3.781 1.00 0.00 N ATOM 407 CA ASP A 49 11.784 -4.765 3.322 1.00 0.00 C ATOM 408 C ASP A 49 11.021 -3.483 3.557 1.00 0.00 C ATOM 409 O ASP A 49 11.500 -2.544 4.190 1.00 0.00 O ATOM 410 CB ASP A 49 12.146 -4.868 1.824 1.00 0.00 C ATOM 411 CG ASP A 49 13.151 -5.960 1.476 1.00 0.00 C ATOM 412 OD1 ASP A 49 13.773 -6.536 2.398 1.00 0.00 O ATOM 413 OD2 ASP A 49 13.340 -6.242 0.272 1.00 0.00 O ATOM 0 H ASP A 49 10.542 -6.425 3.026 1.00 0.00 H new ATOM 0 HA ASP A 49 12.721 -4.792 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.232 -5.042 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.547 -3.909 1.496 1.00 0.00 H new ATOM 418 N VAL A 50 9.797 -3.466 3.059 1.00 0.00 N ATOM 419 CA VAL A 50 8.897 -2.347 3.101 1.00 0.00 C ATOM 420 C VAL A 50 8.551 -2.041 4.560 1.00 0.00 C ATOM 421 O VAL A 50 8.653 -0.888 4.960 1.00 0.00 O ATOM 422 CB VAL A 50 7.714 -2.718 2.198 1.00 0.00 C ATOM 423 CG1 VAL A 50 6.584 -1.687 2.291 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.177 -2.781 0.730 1.00 0.00 C ATOM 0 H VAL A 50 9.392 -4.278 2.593 1.00 0.00 H new ATOM 0 HA VAL A 50 9.318 -1.416 2.721 1.00 0.00 H new ATOM 0 HB VAL A 50 7.343 -3.686 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.765 -1.985 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.226 -1.631 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.957 -0.710 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.333 -3.045 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.568 -1.809 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.958 -3.534 0.627 1.00 0.00 H new ATOM 434 N ALA A 51 8.238 -3.029 5.398 1.00 0.00 N ATOM 435 CA ALA A 51 7.994 -2.827 6.821 1.00 0.00 C ATOM 436 C ALA A 51 9.245 -2.350 7.572 1.00 0.00 C ATOM 437 O ALA A 51 9.127 -1.742 8.638 1.00 0.00 O ATOM 438 CB ALA A 51 7.491 -4.135 7.434 1.00 0.00 C ATOM 0 H ALA A 51 8.146 -4.001 5.102 1.00 0.00 H new ATOM 0 HA ALA A 51 7.244 -2.043 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.307 -3.991 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.565 -4.435 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.242 -4.913 7.298 1.00 0.00 H new ATOM 444 N GLU A 52 10.438 -2.593 7.032 1.00 0.00 N ATOM 445 CA GLU A 52 11.711 -2.108 7.530 1.00 0.00 C ATOM 446 C GLU A 52 12.068 -0.736 6.955 1.00 0.00 C ATOM 447 O GLU A 52 13.111 -0.169 7.290 1.00 0.00 O ATOM 448 CB GLU A 52 12.834 -3.128 7.291 1.00 0.00 C ATOM 449 CG GLU A 52 12.867 -4.189 8.407 1.00 0.00 C ATOM 450 CD GLU A 52 13.953 -3.856 9.427 1.00 0.00 C ATOM 451 OE1 GLU A 52 13.910 -2.772 10.059 1.00 0.00 O ATOM 452 OE2 GLU A 52 14.933 -4.629 9.546 1.00 0.00 O ATOM 0 H GLU A 52 10.541 -3.163 6.193 1.00 0.00 H new ATOM 0 HA GLU A 52 11.604 -1.983 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.688 -3.615 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.794 -2.613 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.897 -4.236 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.053 -5.173 7.977 1.00 0.00 H new ATOM 459 N ARG A 53 11.214 -0.161 6.113 1.00 0.00 N ATOM 460 CA ARG A 53 11.342 1.210 5.651 1.00 0.00 C ATOM 461 C ARG A 53 10.211 2.067 6.167 1.00 0.00 C ATOM 462 O ARG A 53 10.481 3.202 6.534 1.00 0.00 O ATOM 463 CB ARG A 53 11.364 1.259 4.114 1.00 0.00 C ATOM 464 CG ARG A 53 12.597 0.626 3.461 1.00 0.00 C ATOM 465 CD ARG A 53 13.898 1.363 3.779 1.00 0.00 C ATOM 466 NE ARG A 53 14.570 0.859 4.987 1.00 0.00 N ATOM 467 CZ ARG A 53 15.888 0.936 5.207 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.679 1.610 4.377 1.00 0.00 N ATOM 469 NH2 ARG A 53 16.437 0.318 6.247 1.00 0.00 N ATOM 0 H ARG A 53 10.403 -0.645 5.729 1.00 0.00 H new ATOM 0 HA ARG A 53 12.282 1.603 6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.474 0.755 3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.299 2.300 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.684 -0.409 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.456 0.604 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.576 1.273 2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.685 2.424 3.906 1.00 0.00 H new ATOM 0 HE ARG A 53 13.993 0.422 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.283 2.076 3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.682 1.661 4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.853 -0.221 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.442 0.383 6.406 1.00 0.00 H new ATOM 483 N VAL A 54 8.988 1.553 6.220 1.00 0.00 N ATOM 484 CA VAL A 54 7.820 2.372 6.459 1.00 0.00 C ATOM 485 C VAL A 54 6.731 1.694 7.293 1.00 0.00 C ATOM 486 O VAL A 54 6.806 0.512 7.627 1.00 0.00 O ATOM 487 CB VAL A 54 7.253 2.741 5.069 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.094 3.756 4.288 1.00 0.00 C ATOM 489 CG2 VAL A 54 6.963 1.543 4.157 1.00 0.00 C ATOM 0 H VAL A 54 8.785 0.561 6.098 1.00 0.00 H new ATOM 0 HA VAL A 54 8.125 3.240 7.044 1.00 0.00 H new ATOM 0 HB VAL A 54 6.305 3.208 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.622 3.956 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.166 4.683 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.093 3.352 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.569 1.898 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.884 0.986 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.230 0.892 4.633 1.00 0.00 H new ATOM 499 N VAL A 55 5.690 2.471 7.583 1.00 0.00 N ATOM 500 CA VAL A 55 4.398 2.098 8.145 1.00 0.00 C ATOM 501 C VAL A 55 3.336 2.687 7.207 1.00 0.00 C ATOM 502 O VAL A 55 3.670 3.494 6.335 1.00 0.00 O ATOM 503 CB VAL A 55 4.239 2.621 9.585 1.00 0.00 C ATOM 504 CG1 VAL A 55 5.034 1.751 10.562 1.00 0.00 C ATOM 505 CG2 VAL A 55 4.642 4.098 9.740 1.00 0.00 C ATOM 0 H VAL A 55 5.737 3.476 7.413 1.00 0.00 H new ATOM 0 HA VAL A 55 4.297 1.015 8.214 1.00 0.00 H new ATOM 0 HB VAL A 55 3.177 2.559 9.820 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.910 2.135 11.575 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.669 0.725 10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.090 1.773 10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.507 4.405 10.777 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.688 4.221 9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.017 4.715 9.095 1.00 0.00 H new ATOM 515 N ALA A 56 2.052 2.362 7.391 1.00 0.00 N ATOM 516 CA ALA A 56 0.999 2.954 6.566 1.00 0.00 C ATOM 517 C ALA A 56 0.992 4.477 6.670 1.00 0.00 C ATOM 518 O ALA A 56 0.710 5.153 5.686 1.00 0.00 O ATOM 519 CB ALA A 56 -0.370 2.425 6.972 1.00 0.00 C ATOM 0 H ALA A 56 1.722 1.701 8.094 1.00 0.00 H new ATOM 0 HA ALA A 56 1.210 2.672 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.137 2.880 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.394 1.342 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.561 2.674 8.016 1.00 0.00 H new ATOM 525 N ASP A 57 1.329 5.022 7.841 1.00 0.00 N ATOM 526 CA ASP A 57 1.310 6.459 8.103 1.00 0.00 C ATOM 527 C ASP A 57 2.373 7.226 7.310 1.00 0.00 C ATOM 528 O ASP A 57 2.345 8.458 7.279 1.00 0.00 O ATOM 529 CB ASP A 57 1.466 6.716 9.612 1.00 0.00 C ATOM 530 CG ASP A 57 0.133 6.572 10.348 1.00 0.00 C ATOM 531 OD1 ASP A 57 -0.863 7.202 9.921 1.00 0.00 O ATOM 532 OD2 ASP A 57 0.043 5.805 11.336 1.00 0.00 O ATOM 0 H ASP A 57 1.627 4.468 8.644 1.00 0.00 H new ATOM 0 HA ASP A 57 0.345 6.836 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.190 6.015 10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.864 7.718 9.772 1.00 0.00 H new ATOM 537 N ASP A 58 3.305 6.533 6.654 1.00 0.00 N ATOM 538 CA ASP A 58 4.337 7.123 5.809 1.00 0.00 C ATOM 539 C ASP A 58 3.839 7.283 4.367 1.00 0.00 C ATOM 540 O ASP A 58 4.334 8.140 3.629 1.00 0.00 O ATOM 541 CB ASP A 58 5.592 6.238 5.864 1.00 0.00 C ATOM 542 CG ASP A 58 6.342 6.279 7.204 1.00 0.00 C ATOM 543 OD1 ASP A 58 5.934 7.019 8.131 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.342 5.542 7.334 1.00 0.00 O ATOM 0 H ASP A 58 3.362 5.516 6.699 1.00 0.00 H new ATOM 0 HA ASP A 58 4.582 8.119 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.304 5.208 5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.273 6.546 5.071 1.00 0.00 H new ATOM 549 N PHE A 59 2.829 6.507 3.953 1.00 0.00 N ATOM 550 CA PHE A 59 2.122 6.713 2.700 1.00 0.00 C ATOM 551 C PHE A 59 1.156 7.878 2.924 1.00 0.00 C ATOM 552 O PHE A 59 0.509 7.973 3.972 1.00 0.00 O ATOM 553 CB PHE A 59 1.363 5.441 2.293 1.00 0.00 C ATOM 554 CG PHE A 59 2.224 4.228 1.993 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.753 3.459 3.045 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.472 3.836 0.665 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.516 2.312 2.777 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.254 2.701 0.391 1.00 0.00 C ATOM 559 CZ PHE A 59 3.764 1.925 1.448 1.00 0.00 C ATOM 0 H PHE A 59 2.483 5.712 4.490 1.00 0.00 H new ATOM 0 HA PHE A 59 2.817 6.940 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.669 5.182 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.763 5.665 1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.571 3.754 4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.058 4.412 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.913 1.726 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.464 2.424 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.343 1.037 1.240 1.00 0.00 H new ATOM 569 N TYR A 60 1.046 8.794 1.967 1.00 0.00 N ATOM 570 CA TYR A 60 0.166 9.945 2.098 1.00 0.00 C ATOM 571 C TYR A 60 -1.288 9.563 1.811 1.00 0.00 C ATOM 572 O TYR A 60 -2.213 9.899 2.562 1.00 0.00 O ATOM 573 CB TYR A 60 0.602 11.052 1.124 1.00 0.00 C ATOM 574 CG TYR A 60 -0.320 12.245 1.248 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.308 12.962 2.454 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.294 12.528 0.271 1.00 0.00 C ATOM 577 CE1 TYR A 60 -1.281 13.936 2.710 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.262 13.521 0.514 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.268 14.219 1.745 1.00 0.00 C ATOM 580 OH TYR A 60 -3.217 15.155 2.009 1.00 0.00 O ATOM 0 H TYR A 60 1.560 8.759 1.087 1.00 0.00 H new ATOM 0 HA TYR A 60 0.235 10.306 3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.628 11.352 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.586 10.675 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.457 12.761 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.298 11.985 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.275 14.471 3.648 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.001 13.750 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.822 15.233 1.242 1.00 0.00 H new ATOM 590 N THR A 61 -1.457 8.842 0.714 1.00 0.00 N ATOM 591 CA THR A 61 -2.706 8.529 0.052 1.00 0.00 C ATOM 592 C THR A 61 -3.510 7.491 0.837 1.00 0.00 C ATOM 593 O THR A 61 -3.034 6.385 1.065 1.00 0.00 O ATOM 594 CB THR A 61 -2.366 8.093 -1.363 1.00 0.00 C ATOM 595 OG1 THR A 61 -1.178 8.701 -1.853 1.00 0.00 O ATOM 596 CG2 THR A 61 -3.488 8.358 -2.359 1.00 0.00 C ATOM 0 H THR A 61 -0.660 8.430 0.229 1.00 0.00 H new ATOM 0 HA THR A 61 -3.359 9.401 0.007 1.00 0.00 H new ATOM 0 HB THR A 61 -2.215 7.017 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.425 8.084 -1.742 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.181 8.024 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.382 7.814 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.705 9.426 -2.387 1.00 0.00 H new ATOM 604 N ARG A 62 -4.732 7.819 1.265 1.00 0.00 N ATOM 605 CA ARG A 62 -5.575 6.949 2.095 1.00 0.00 C ATOM 606 C ARG A 62 -5.736 5.536 1.519 1.00 0.00 C ATOM 607 O ARG A 62 -5.519 4.585 2.274 1.00 0.00 O ATOM 608 CB ARG A 62 -6.953 7.574 2.374 1.00 0.00 C ATOM 609 CG ARG A 62 -6.933 8.794 3.303 1.00 0.00 C ATOM 610 CD ARG A 62 -6.558 10.095 2.588 1.00 0.00 C ATOM 611 NE ARG A 62 -6.724 11.247 3.477 1.00 0.00 N ATOM 612 CZ ARG A 62 -5.780 12.082 3.915 1.00 0.00 C ATOM 613 NH1 ARG A 62 -4.499 11.953 3.571 1.00 0.00 N ATOM 614 NH2 ARG A 62 -6.140 13.059 4.732 1.00 0.00 N ATOM 0 H ARG A 62 -5.172 8.711 1.042 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.043 6.852 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.402 7.866 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.599 6.813 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.916 8.909 3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.224 8.615 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.525 10.041 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.182 10.221 1.703 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.674 11.433 3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.211 11.195 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.807 12.612 3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.116 13.158 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.441 13.713 5.084 1.00 0.00 H new ATOM 628 N PRO A 63 -6.085 5.341 0.233 1.00 0.00 N ATOM 629 CA PRO A 63 -6.182 4.002 -0.331 1.00 0.00 C ATOM 630 C PRO A 63 -4.821 3.295 -0.433 1.00 0.00 C ATOM 631 O PRO A 63 -4.795 2.069 -0.413 1.00 0.00 O ATOM 632 CB PRO A 63 -6.860 4.189 -1.689 1.00 0.00 C ATOM 633 CG PRO A 63 -6.454 5.598 -2.098 1.00 0.00 C ATOM 634 CD PRO A 63 -6.547 6.312 -0.753 1.00 0.00 C ATOM 0 HA PRO A 63 -6.760 3.340 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.521 3.448 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.943 4.089 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.449 5.635 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.127 6.025 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.928 7.209 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.570 6.627 -0.545 1.00 0.00 H new ATOM 642 N HIS A 64 -3.696 4.019 -0.483 1.00 0.00 N ATOM 643 CA HIS A 64 -2.371 3.416 -0.361 1.00 0.00 C ATOM 644 C HIS A 64 -2.128 2.978 1.096 1.00 0.00 C ATOM 645 O HIS A 64 -1.717 1.839 1.328 1.00 0.00 O ATOM 646 CB HIS A 64 -1.278 4.375 -0.885 1.00 0.00 C ATOM 647 CG HIS A 64 -1.344 4.725 -2.363 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.591 5.699 -2.988 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.102 4.119 -3.331 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.877 5.671 -4.306 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.821 4.747 -4.552 1.00 0.00 N ATOM 0 H HIS A 64 -3.682 5.031 -0.608 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.321 2.523 -0.985 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.330 5.300 -0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.305 3.929 -0.682 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.068 6.330 -2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.793 3.303 -3.180 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.415 6.299 -5.054 1.00 0.00 H new ATOM 659 N ARG A 65 -2.443 3.829 2.087 1.00 0.00 N ATOM 660 CA ARG A 65 -2.291 3.528 3.516 1.00 0.00 C ATOM 661 C ARG A 65 -3.014 2.228 3.849 1.00 0.00 C ATOM 662 O ARG A 65 -2.430 1.335 4.458 1.00 0.00 O ATOM 663 CB ARG A 65 -2.834 4.656 4.422 1.00 0.00 C ATOM 664 CG ARG A 65 -2.142 6.022 4.293 1.00 0.00 C ATOM 665 CD ARG A 65 -2.337 6.932 5.515 1.00 0.00 C ATOM 666 NE ARG A 65 -3.739 7.363 5.700 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.673 6.765 6.456 1.00 0.00 C ATOM 668 NH1 ARG A 65 -4.398 5.702 7.197 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.909 7.242 6.481 1.00 0.00 N ATOM 0 H ARG A 65 -2.817 4.762 1.912 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.223 3.434 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.894 4.787 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.757 4.329 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.075 5.865 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.524 6.531 3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.004 6.405 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.703 7.813 5.409 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.027 8.204 5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.454 5.315 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.130 5.270 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.150 8.063 5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.619 6.788 7.055 1.00 0.00 H new ATOM 683 N HIS A 66 -4.268 2.119 3.401 1.00 0.00 N ATOM 684 CA HIS A 66 -5.129 0.960 3.580 1.00 0.00 C ATOM 685 C HIS A 66 -4.409 -0.343 3.293 1.00 0.00 C ATOM 686 O HIS A 66 -4.526 -1.285 4.076 1.00 0.00 O ATOM 687 CB HIS A 66 -6.317 1.056 2.610 1.00 0.00 C ATOM 688 CG HIS A 66 -7.544 1.745 3.120 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.374 2.597 2.424 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.178 1.397 4.272 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.481 2.759 3.160 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.409 2.053 4.299 1.00 0.00 N ATOM 0 H HIS A 66 -4.724 2.870 2.883 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.453 0.960 4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.983 1.576 1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.594 0.046 2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.796 0.731 5.031 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.320 3.376 2.875 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.113 2.006 5.036 1.00 0.00 H new ATOM 700 N ILE A 67 -3.744 -0.417 2.141 1.00 0.00 N ATOM 701 CA ILE A 67 -3.155 -1.647 1.655 1.00 0.00 C ATOM 702 C ILE A 67 -2.035 -2.051 2.604 1.00 0.00 C ATOM 703 O ILE A 67 -2.013 -3.207 3.016 1.00 0.00 O ATOM 704 CB ILE A 67 -2.721 -1.477 0.187 1.00 0.00 C ATOM 705 CG1 ILE A 67 -3.973 -1.222 -0.682 1.00 0.00 C ATOM 706 CG2 ILE A 67 -1.977 -2.726 -0.316 1.00 0.00 C ATOM 707 CD1 ILE A 67 -3.633 -0.667 -2.061 1.00 0.00 C ATOM 0 H ILE A 67 -3.603 0.381 1.522 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.875 -2.466 1.648 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.040 -0.629 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.526 -2.154 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.631 -0.523 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.682 -2.580 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.089 -2.891 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.633 -3.594 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.552 -0.508 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.106 0.281 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.998 -1.376 -2.592 1.00 0.00 H new ATOM 719 N PHE A 68 -1.165 -1.120 3.011 1.00 0.00 N ATOM 720 CA PHE A 68 -0.151 -1.428 4.009 1.00 0.00 C ATOM 721 C PHE A 68 -0.818 -1.922 5.297 1.00 0.00 C ATOM 722 O PHE A 68 -0.418 -2.963 5.813 1.00 0.00 O ATOM 723 CB PHE A 68 0.774 -0.228 4.262 1.00 0.00 C ATOM 724 CG PHE A 68 1.942 -0.559 5.181 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.737 -0.729 6.565 1.00 0.00 C ATOM 726 CD2 PHE A 68 3.233 -0.753 4.649 1.00 0.00 C ATOM 727 CE1 PHE A 68 2.797 -1.112 7.400 1.00 0.00 C ATOM 728 CE2 PHE A 68 4.299 -1.102 5.498 1.00 0.00 C ATOM 729 CZ PHE A 68 4.080 -1.296 6.867 1.00 0.00 C ATOM 0 H PHE A 68 -1.147 -0.160 2.666 1.00 0.00 H new ATOM 0 HA PHE A 68 0.482 -2.229 3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.160 0.133 3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.194 0.585 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.756 -0.563 6.986 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.404 -0.634 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.624 -1.265 8.455 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.292 -1.221 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.897 -1.587 7.510 1.00 0.00 H new ATOM 739 N THR A 69 -1.832 -1.218 5.819 1.00 0.00 N ATOM 740 CA THR A 69 -2.469 -1.603 7.077 1.00 0.00 C ATOM 741 C THR A 69 -3.086 -2.999 6.984 1.00 0.00 C ATOM 742 O THR A 69 -3.067 -3.741 7.972 1.00 0.00 O ATOM 743 CB THR A 69 -3.516 -0.537 7.455 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.931 0.748 7.448 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.131 -0.734 8.842 1.00 0.00 C ATOM 0 H THR A 69 -2.225 -0.381 5.387 1.00 0.00 H new ATOM 0 HA THR A 69 -1.716 -1.652 7.864 1.00 0.00 H new ATOM 0 HB THR A 69 -4.303 -0.639 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.868 1.074 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.857 0.056 9.033 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.628 -1.703 8.885 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.346 -0.695 9.597 1.00 0.00 H new ATOM 753 N GLU A 70 -3.608 -3.368 5.815 1.00 0.00 N ATOM 754 CA GLU A 70 -4.263 -4.643 5.623 1.00 0.00 C ATOM 755 C GLU A 70 -3.251 -5.760 5.404 1.00 0.00 C ATOM 756 O GLU A 70 -3.433 -6.842 5.946 1.00 0.00 O ATOM 757 CB GLU A 70 -5.235 -4.564 4.443 1.00 0.00 C ATOM 758 CG GLU A 70 -6.315 -5.647 4.574 1.00 0.00 C ATOM 759 CD GLU A 70 -7.219 -5.441 5.793 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.240 -4.333 6.384 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.928 -6.406 6.161 1.00 0.00 O ATOM 0 H GLU A 70 -3.584 -2.784 4.979 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.822 -4.875 6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.700 -3.579 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.693 -4.692 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.926 -5.655 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.837 -6.624 4.643 1.00 0.00 H new ATOM 768 N MET A 71 -2.181 -5.520 4.646 1.00 0.00 N ATOM 769 CA MET A 71 -1.103 -6.485 4.471 1.00 0.00 C ATOM 770 C MET A 71 -0.439 -6.751 5.826 1.00 0.00 C ATOM 771 O MET A 71 -0.233 -7.913 6.183 1.00 0.00 O ATOM 772 CB MET A 71 -0.093 -5.968 3.442 1.00 0.00 C ATOM 773 CG MET A 71 -0.631 -5.963 2.004 1.00 0.00 C ATOM 774 SD MET A 71 0.576 -5.281 0.839 1.00 0.00 S ATOM 775 CE MET A 71 -0.129 -5.713 -0.771 1.00 0.00 C ATOM 0 H MET A 71 -2.040 -4.648 4.136 1.00 0.00 H new ATOM 0 HA MET A 71 -1.505 -7.425 4.093 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.204 -4.955 3.714 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.804 -6.585 3.484 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.888 -6.980 1.708 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.549 -5.377 1.961 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.565 -6.358 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.074 -6.237 -0.626 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.303 -4.805 -1.348 1.00 0.00 H new ATOM 785 N ALA A 72 -0.183 -5.700 6.615 1.00 0.00 N ATOM 786 CA ALA A 72 0.343 -5.815 7.967 1.00 0.00 C ATOM 787 C ALA A 72 -0.599 -6.641 8.834 1.00 0.00 C ATOM 788 O ALA A 72 -0.147 -7.541 9.544 1.00 0.00 O ATOM 789 CB ALA A 72 0.540 -4.422 8.584 1.00 0.00 C ATOM 0 H ALA A 72 -0.340 -4.736 6.321 1.00 0.00 H new ATOM 0 HA ALA A 72 1.309 -6.318 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.934 -4.524 9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.243 -3.851 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.417 -3.901 8.618 1.00 0.00 H new ATOM 795 N ARG A 73 -1.901 -6.338 8.784 1.00 0.00 N ATOM 796 CA ARG A 73 -2.923 -7.083 9.508 1.00 0.00 C ATOM 797 C ARG A 73 -2.925 -8.544 9.094 1.00 0.00 C ATOM 798 O ARG A 73 -2.972 -9.407 9.968 1.00 0.00 O ATOM 799 CB ARG A 73 -4.300 -6.424 9.282 1.00 0.00 C ATOM 800 CG ARG A 73 -5.507 -7.248 9.759 1.00 0.00 C ATOM 801 CD ARG A 73 -6.840 -6.597 9.361 1.00 0.00 C ATOM 802 NE ARG A 73 -7.098 -5.291 9.994 1.00 0.00 N ATOM 803 CZ ARG A 73 -7.274 -5.043 11.299 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.244 -6.025 12.198 1.00 0.00 N ATOM 805 NH2 ARG A 73 -7.447 -3.794 11.704 1.00 0.00 N ATOM 0 H ARG A 73 -2.272 -5.563 8.235 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.699 -7.055 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.313 -5.462 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.417 -6.221 8.218 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.452 -8.251 9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.466 -7.357 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.859 -6.471 8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.652 -7.277 9.617 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.148 -4.486 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.085 -6.987 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.380 -5.815 13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.445 -3.033 11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.582 -3.593 12.695 1.00 0.00 H new ATOM 819 N LEU A 74 -2.924 -8.836 7.796 1.00 0.00 N ATOM 820 CA LEU A 74 -3.015 -10.175 7.263 1.00 0.00 C ATOM 821 C LEU A 74 -1.813 -10.981 7.714 1.00 0.00 C ATOM 822 O LEU A 74 -2.007 -12.066 8.263 1.00 0.00 O ATOM 823 CB LEU A 74 -3.120 -10.106 5.733 1.00 0.00 C ATOM 824 CG LEU A 74 -4.562 -9.871 5.240 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.564 -9.442 3.768 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.414 -11.138 5.397 1.00 0.00 C ATOM 0 H LEU A 74 -2.858 -8.120 7.072 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.908 -10.675 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.481 -9.303 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.742 -11.035 5.306 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.992 -9.078 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.590 -9.281 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.998 -8.517 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.106 -10.223 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.426 -10.943 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.974 -11.947 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.448 -11.426 6.448 1.00 0.00 H new ATOM 838 N GLN A 75 -0.593 -10.458 7.563 1.00 0.00 N ATOM 839 CA GLN A 75 0.598 -11.165 7.996 1.00 0.00 C ATOM 840 C GLN A 75 0.539 -11.432 9.496 1.00 0.00 C ATOM 841 O GLN A 75 0.841 -12.538 9.946 1.00 0.00 O ATOM 842 CB GLN A 75 1.858 -10.362 7.635 1.00 0.00 C ATOM 843 CG GLN A 75 3.023 -11.358 7.547 1.00 0.00 C ATOM 844 CD GLN A 75 4.404 -10.764 7.345 1.00 0.00 C ATOM 845 OE1 GLN A 75 4.966 -10.184 8.274 1.00 0.00 O ATOM 846 NE2 GLN A 75 5.007 -10.989 6.191 1.00 0.00 N ATOM 0 H GLN A 75 -0.412 -9.546 7.143 1.00 0.00 H new ATOM 0 HA GLN A 75 0.644 -12.123 7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.724 -9.842 6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.059 -9.601 8.390 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.036 -11.950 8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.823 -12.046 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.511 -11.473 5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.968 -10.679 6.049 1.00 0.00 H new ATOM 855 N GLU A 76 0.106 -10.439 10.268 1.00 0.00 N ATOM 856 CA GLU A 76 -0.041 -10.543 11.714 1.00 0.00 C ATOM 857 C GLU A 76 -1.138 -11.542 12.108 1.00 0.00 C ATOM 858 O GLU A 76 -1.047 -12.176 13.161 1.00 0.00 O ATOM 859 CB GLU A 76 -0.283 -9.127 12.234 1.00 0.00 C ATOM 860 CG GLU A 76 -0.380 -8.941 13.750 1.00 0.00 C ATOM 861 CD GLU A 76 -0.668 -7.470 14.074 1.00 0.00 C ATOM 862 OE1 GLU A 76 0.025 -6.565 13.543 1.00 0.00 O ATOM 863 OE2 GLU A 76 -1.625 -7.190 14.827 1.00 0.00 O ATOM 0 H GLU A 76 -0.156 -9.525 9.899 1.00 0.00 H new ATOM 0 HA GLU A 76 0.860 -10.948 12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.523 -8.491 11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.207 -8.758 11.789 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.171 -9.574 14.154 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.551 -9.252 14.224 1.00 0.00 H new ATOM 870 N SER A 77 -2.132 -11.772 11.248 1.00 0.00 N ATOM 871 CA SER A 77 -3.144 -12.803 11.422 1.00 0.00 C ATOM 872 C SER A 77 -2.657 -14.168 10.922 1.00 0.00 C ATOM 873 O SER A 77 -3.358 -15.163 11.128 1.00 0.00 O ATOM 874 CB SER A 77 -4.431 -12.387 10.699 1.00 0.00 C ATOM 875 OG SER A 77 -5.424 -12.065 11.653 1.00 0.00 O ATOM 0 H SER A 77 -2.254 -11.231 10.392 1.00 0.00 H new ATOM 0 HA SER A 77 -3.346 -12.907 12.488 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.238 -11.529 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.778 -13.196 10.056 1.00 0.00 H new ATOM 0 HG SER A 77 -6.246 -11.797 11.192 1.00 0.00 H new ATOM 881 N GLY A 78 -1.482 -14.245 10.292 1.00 0.00 N ATOM 882 CA GLY A 78 -1.014 -15.452 9.645 1.00 0.00 C ATOM 883 C GLY A 78 -1.882 -15.702 8.430 1.00 0.00 C ATOM 884 O GLY A 78 -2.644 -16.669 8.366 1.00 0.00 O ATOM 0 H GLY A 78 -0.832 -13.462 10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.030 -15.346 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.068 -16.297 10.331 1.00 0.00 H new ATOM 888 N SER A 79 -1.861 -14.770 7.489 1.00 0.00 N ATOM 889 CA SER A 79 -2.516 -14.917 6.200 1.00 0.00 C ATOM 890 C SER A 79 -1.666 -14.285 5.092 1.00 0.00 C ATOM 891 O SER A 79 -0.879 -13.379 5.389 1.00 0.00 O ATOM 892 CB SER A 79 -3.900 -14.277 6.285 1.00 0.00 C ATOM 893 OG SER A 79 -4.670 -14.980 7.249 1.00 0.00 O ATOM 0 H SER A 79 -1.381 -13.877 7.602 1.00 0.00 H new ATOM 0 HA SER A 79 -2.628 -15.972 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.814 -13.227 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.391 -14.310 5.313 1.00 0.00 H new ATOM 0 HG SER A 79 -5.561 -14.577 7.313 1.00 0.00 H new ATOM 899 N PRO A 80 -1.794 -14.754 3.836 1.00 0.00 N ATOM 900 CA PRO A 80 -1.126 -14.166 2.678 1.00 0.00 C ATOM 901 C PRO A 80 -1.460 -12.690 2.480 1.00 0.00 C ATOM 902 O PRO A 80 -2.438 -12.182 3.023 1.00 0.00 O ATOM 903 CB PRO A 80 -1.583 -14.988 1.471 1.00 0.00 C ATOM 904 CG PRO A 80 -1.948 -16.334 2.084 1.00 0.00 C ATOM 905 CD PRO A 80 -2.551 -15.928 3.421 1.00 0.00 C ATOM 0 HA PRO A 80 -0.045 -14.196 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.436 -14.529 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.792 -15.085 0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.659 -16.883 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.075 -16.974 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.612 -15.699 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.466 -16.731 4.153 1.00 0.00 H new ATOM 913 N ILE A 81 -0.684 -12.033 1.620 1.00 0.00 N ATOM 914 CA ILE A 81 -0.832 -10.620 1.279 1.00 0.00 C ATOM 915 C ILE A 81 -1.163 -10.450 -0.213 1.00 0.00 C ATOM 916 O ILE A 81 -0.960 -9.377 -0.780 1.00 0.00 O ATOM 917 CB ILE A 81 0.403 -9.825 1.773 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.709 -10.247 1.063 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.529 -9.939 3.310 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.876 -9.296 1.359 1.00 0.00 C ATOM 0 H ILE A 81 0.088 -12.483 1.127 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.686 -10.190 1.802 1.00 0.00 H new ATOM 0 HB ILE A 81 0.245 -8.779 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.979 -11.256 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.538 -10.282 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.400 -9.377 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.368 -9.534 3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.643 -10.986 3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.768 -9.640 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.621 -8.291 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.069 -9.280 2.432 1.00 0.00 H new ATOM 932 N ASP A 82 -1.658 -11.518 -0.853 1.00 0.00 N ATOM 933 CA ASP A 82 -2.033 -11.493 -2.269 1.00 0.00 C ATOM 934 C ASP A 82 -3.192 -10.521 -2.487 1.00 0.00 C ATOM 935 O ASP A 82 -3.991 -10.270 -1.583 1.00 0.00 O ATOM 936 CB ASP A 82 -2.541 -12.861 -2.774 1.00 0.00 C ATOM 937 CG ASP A 82 -1.525 -13.991 -2.815 1.00 0.00 C ATOM 938 OD1 ASP A 82 -1.376 -14.704 -1.800 1.00 0.00 O ATOM 939 OD2 ASP A 82 -0.947 -14.242 -3.901 1.00 0.00 O ATOM 0 H ASP A 82 -1.809 -12.421 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.131 -11.203 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.371 -13.172 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.941 -12.726 -3.779 1.00 0.00 H new ATOM 944 N LEU A 83 -3.358 -10.096 -3.743 1.00 0.00 N ATOM 945 CA LEU A 83 -4.441 -9.260 -4.256 1.00 0.00 C ATOM 946 C LEU A 83 -5.795 -9.694 -3.709 1.00 0.00 C ATOM 947 O LEU A 83 -6.517 -8.907 -3.105 1.00 0.00 O ATOM 948 CB LEU A 83 -4.410 -9.361 -5.798 1.00 0.00 C ATOM 949 CG LEU A 83 -5.128 -8.270 -6.611 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.576 -7.976 -6.228 1.00 0.00 C ATOM 951 CD2 LEU A 83 -4.342 -6.974 -6.521 1.00 0.00 C ATOM 0 H LEU A 83 -2.693 -10.345 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.298 -8.228 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.366 -9.376 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.840 -10.323 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.171 -8.676 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.970 -7.190 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.175 -8.879 -6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.618 -7.649 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.850 -6.200 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.271 -6.663 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.340 -7.127 -6.923 1.00 0.00 H new ATOM 963 N ILE A 84 -6.166 -10.949 -3.942 1.00 0.00 N ATOM 964 CA ILE A 84 -7.445 -11.492 -3.576 1.00 0.00 C ATOM 965 C ILE A 84 -7.589 -11.556 -2.059 1.00 0.00 C ATOM 966 O ILE A 84 -8.638 -11.180 -1.541 1.00 0.00 O ATOM 967 CB ILE A 84 -7.575 -12.850 -4.288 1.00 0.00 C ATOM 968 CG1 ILE A 84 -7.051 -12.752 -5.746 1.00 0.00 C ATOM 969 CG2 ILE A 84 -9.036 -13.321 -4.244 1.00 0.00 C ATOM 970 CD1 ILE A 84 -5.630 -13.293 -5.962 1.00 0.00 C ATOM 0 H ILE A 84 -5.559 -11.626 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.271 -10.857 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.963 -13.589 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.734 -13.296 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.077 -11.707 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.124 -14.283 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.353 -13.426 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.670 -12.589 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.354 -13.181 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.930 -12.735 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.597 -14.348 -5.689 1.00 0.00 H new ATOM 982 N THR A 85 -6.541 -11.971 -1.349 1.00 0.00 N ATOM 983 CA THR A 85 -6.546 -12.048 0.102 1.00 0.00 C ATOM 984 C THR A 85 -6.838 -10.670 0.697 1.00 0.00 C ATOM 985 O THR A 85 -7.702 -10.539 1.565 1.00 0.00 O ATOM 986 CB THR A 85 -5.228 -12.640 0.638 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.809 -13.736 -0.153 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.406 -13.142 2.072 1.00 0.00 C ATOM 0 H THR A 85 -5.661 -12.264 -1.772 1.00 0.00 H new ATOM 0 HA THR A 85 -7.340 -12.726 0.413 1.00 0.00 H new ATOM 0 HB THR A 85 -4.482 -11.846 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.601 -14.498 0.427 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.464 -13.556 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.707 -12.313 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.174 -13.915 2.094 1.00 0.00 H new ATOM 996 N LEU A 86 -6.152 -9.653 0.181 1.00 0.00 N ATOM 997 CA LEU A 86 -6.268 -8.247 0.535 1.00 0.00 C ATOM 998 C LEU A 86 -7.676 -7.740 0.285 1.00 0.00 C ATOM 999 O LEU A 86 -8.307 -7.184 1.180 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.242 -7.495 -0.331 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.334 -5.964 -0.356 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.984 -5.364 0.999 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.376 -5.440 -1.428 1.00 0.00 C ATOM 0 H LEU A 86 -5.453 -9.804 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.070 -8.090 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.245 -7.768 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.335 -7.856 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.358 -5.671 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.059 -4.278 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.676 -5.739 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.966 -5.645 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.427 -4.352 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.358 -5.748 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.659 -5.846 -2.399 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.143 -7.925 -0.944 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.441 -7.451 -1.401 1.00 0.00 C ATOM 1017 C ALA A 87 -10.549 -8.000 -0.504 1.00 0.00 C ATOM 1018 O ALA A 87 -11.390 -7.243 -0.022 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.671 -7.852 -2.860 1.00 0.00 C ATOM 0 H ALA A 87 -7.618 -8.419 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.460 -6.363 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.646 -7.490 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.893 -7.414 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.638 -8.938 -2.948 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.518 -9.311 -0.255 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.424 -9.996 0.653 1.00 0.00 C ATOM 1027 C GLU A 88 -11.331 -9.395 2.052 1.00 0.00 C ATOM 1028 O GLU A 88 -12.351 -9.094 2.672 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.080 -11.489 0.684 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.465 -12.257 -0.591 1.00 0.00 C ATOM 1031 CD GLU A 88 -10.838 -13.657 -0.660 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -9.874 -13.973 0.080 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -11.349 -14.504 -1.433 1.00 0.00 O ATOM 0 H GLU A 88 -9.842 -9.937 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.448 -9.873 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.008 -11.599 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.583 -11.948 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.550 -12.348 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.154 -11.682 -1.463 1.00 0.00 H new ATOM 1040 N SER A 89 -10.113 -9.196 2.553 1.00 0.00 N ATOM 1041 CA SER A 89 -9.903 -8.723 3.912 1.00 0.00 C ATOM 1042 C SER A 89 -10.468 -7.302 4.086 1.00 0.00 C ATOM 1043 O SER A 89 -10.973 -6.953 5.160 1.00 0.00 O ATOM 1044 CB SER A 89 -8.409 -8.849 4.234 1.00 0.00 C ATOM 1045 OG SER A 89 -8.177 -8.888 5.624 1.00 0.00 O ATOM 0 H SER A 89 -9.253 -9.358 2.030 1.00 0.00 H new ATOM 0 HA SER A 89 -10.449 -9.331 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.012 -9.754 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.871 -8.007 3.799 1.00 0.00 H new ATOM 0 HG SER A 89 -7.798 -8.033 5.916 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.448 -6.496 3.022 1.00 0.00 N ATOM 1052 CA LEU A 90 -11.028 -5.165 2.992 1.00 0.00 C ATOM 1053 C LEU A 90 -12.552 -5.222 2.913 1.00 0.00 C ATOM 1054 O LEU A 90 -13.200 -4.479 3.648 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.452 -4.365 1.817 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.994 -3.923 2.046 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.380 -3.486 0.719 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.877 -2.771 3.055 1.00 0.00 C ATOM 0 H LEU A 90 -10.015 -6.764 2.138 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.768 -4.660 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.504 -4.971 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.070 -3.484 1.647 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.460 -4.779 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.348 -3.173 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.401 -4.319 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.952 -2.653 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.828 -2.500 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.434 -1.909 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.286 -3.086 4.015 1.00 0.00 H new ATOM 1070 N GLU A 91 -13.160 -6.044 2.046 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.627 -6.095 1.967 1.00 0.00 C ATOM 1072 C GLU A 91 -15.267 -6.651 3.244 1.00 0.00 C ATOM 1073 O GLU A 91 -16.350 -6.199 3.618 1.00 0.00 O ATOM 1074 CB GLU A 91 -15.164 -6.799 0.711 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.738 -8.255 0.524 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.749 -9.020 -0.326 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.757 -9.501 0.249 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -15.564 -9.144 -1.562 1.00 0.00 O ATOM 0 H GLU A 91 -12.673 -6.669 1.404 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.933 -5.053 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.253 -6.760 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.844 -6.233 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.758 -8.292 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.639 -8.736 1.497 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.591 -7.538 3.986 1.00 0.00 N ATOM 1086 CA ARG A 92 -15.050 -7.946 5.320 1.00 0.00 C ATOM 1087 C ARG A 92 -15.193 -6.742 6.249 1.00 0.00 C ATOM 1088 O ARG A 92 -16.098 -6.705 7.084 1.00 0.00 O ATOM 1089 CB ARG A 92 -14.068 -8.953 5.926 1.00 0.00 C ATOM 1090 CG ARG A 92 -14.101 -10.298 5.197 1.00 0.00 C ATOM 1091 CD ARG A 92 -12.967 -11.197 5.690 1.00 0.00 C ATOM 1092 NE ARG A 92 -12.924 -12.450 4.925 1.00 0.00 N ATOM 1093 CZ ARG A 92 -11.843 -13.033 4.389 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -10.620 -12.565 4.605 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -12.008 -14.088 3.603 1.00 0.00 N ATOM 0 H ARG A 92 -13.725 -7.986 3.685 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.030 -8.411 5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.059 -8.544 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.308 -9.105 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.061 -10.787 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.008 -10.139 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.015 -10.675 5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.105 -11.417 6.749 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.814 -12.929 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.485 -11.742 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.815 -13.029 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.946 -14.442 3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.197 -14.545 3.186 1.00 0.00 H new ATOM 1109 N GLN A 93 -14.331 -5.744 6.089 1.00 0.00 N ATOM 1110 CA GLN A 93 -14.371 -4.500 6.836 1.00 0.00 C ATOM 1111 C GLN A 93 -15.173 -3.405 6.127 1.00 0.00 C ATOM 1112 O GLN A 93 -15.150 -2.260 6.586 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.947 -4.007 7.049 1.00 0.00 C ATOM 1114 CG GLN A 93 -12.088 -4.971 7.856 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.719 -4.334 7.996 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -10.433 -3.650 8.978 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.914 -4.459 6.961 1.00 0.00 N ATOM 0 H GLN A 93 -13.565 -5.783 5.416 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.868 -4.706 7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.479 -3.840 6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.976 -3.044 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.530 -5.154 8.835 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.015 -5.936 7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.190 -5.036 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.014 -3.978 6.954 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.827 -3.696 4.997 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.539 -2.702 4.208 1.00 0.00 C ATOM 1128 C GLY A 94 -15.619 -1.568 3.756 1.00 0.00 C ATOM 1129 O GLY A 94 -16.055 -0.418 3.706 1.00 0.00 O ATOM 0 H GLY A 94 -15.873 -4.637 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.981 -3.181 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.360 -2.291 4.796 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.344 -1.852 3.478 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.318 -0.876 3.108 1.00 0.00 C ATOM 1135 C GLN A 95 -12.748 -1.161 1.709 1.00 0.00 C ATOM 1136 O GLN A 95 -11.805 -0.494 1.287 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.252 -0.802 4.223 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.759 0.081 5.376 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.935 -0.040 6.659 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -10.795 0.408 6.754 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -12.517 -0.571 7.721 1.00 0.00 N ATOM 0 H GLN A 95 -13.985 -2.806 3.506 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.762 0.116 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.029 -1.803 4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.323 -0.395 3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.757 1.122 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.794 -0.183 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.463 -0.945 7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.020 -0.606 8.611 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.318 -2.117 0.963 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.882 -2.414 -0.399 1.00 0.00 C ATOM 1152 C LEU A 96 -13.233 -1.256 -1.336 1.00 0.00 C ATOM 1153 O LEU A 96 -12.410 -0.874 -2.166 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.450 -3.754 -0.876 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.990 -4.151 -2.292 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.465 -4.195 -2.454 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.539 -5.535 -2.621 1.00 0.00 C ATOM 0 H LEU A 96 -14.089 -2.700 1.288 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.797 -2.517 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.154 -4.534 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.539 -3.705 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.369 -3.384 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.216 -4.482 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.048 -3.211 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.046 -4.924 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.219 -5.825 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.163 -6.257 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.628 -5.513 -2.581 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.407 -0.634 -1.202 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.705 0.552 -2.012 1.00 0.00 C ATOM 1171 C ASP A 97 -13.865 1.741 -1.545 1.00 0.00 C ATOM 1172 O ASP A 97 -13.444 2.565 -2.354 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.196 0.903 -2.020 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.515 1.690 -3.289 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.418 1.091 -4.388 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -16.864 2.886 -3.215 1.00 0.00 O ATOM 0 H ASP A 97 -15.147 -0.920 -0.561 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.438 0.313 -3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.797 -0.006 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.449 1.492 -1.138 1.00 0.00 H new ATOM 1181 N SER A 98 -13.520 1.771 -0.256 1.00 0.00 N ATOM 1182 CA SER A 98 -12.646 2.753 0.367 1.00 0.00 C ATOM 1183 C SER A 98 -11.197 2.671 -0.146 1.00 0.00 C ATOM 1184 O SER A 98 -10.406 3.573 0.151 1.00 0.00 O ATOM 1185 CB SER A 98 -12.785 2.646 1.895 1.00 0.00 C ATOM 1186 OG SER A 98 -12.659 3.899 2.542 1.00 0.00 O ATOM 0 H SER A 98 -13.861 1.076 0.408 1.00 0.00 H new ATOM 0 HA SER A 98 -12.960 3.755 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.755 2.211 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.025 1.965 2.279 1.00 0.00 H new ATOM 0 HG SER A 98 -12.756 3.779 3.510 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.833 1.621 -0.899 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.571 1.587 -1.636 1.00 0.00 C ATOM 1194 C VAL A 99 -9.854 1.881 -3.110 1.00 0.00 C ATOM 1195 O VAL A 99 -9.036 2.508 -3.771 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.720 0.320 -1.423 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.258 0.233 0.034 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.403 -0.985 -1.822 1.00 0.00 C ATOM 0 H VAL A 99 -11.402 0.782 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.933 2.368 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.869 0.429 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.658 -0.666 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.659 1.110 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.128 0.193 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.728 -1.820 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.311 -1.115 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.658 -0.953 -2.881 1.00 0.00 H new ATOM 1208 N GLY A 100 -11.051 1.542 -3.592 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.539 1.815 -4.943 1.00 0.00 C ATOM 1210 C GLY A 100 -12.199 0.614 -5.627 1.00 0.00 C ATOM 1211 O GLY A 100 -12.651 0.744 -6.768 1.00 0.00 O ATOM 0 H GLY A 100 -11.738 1.047 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.257 2.634 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.705 2.155 -5.557 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.277 -0.541 -4.968 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.792 -1.789 -5.518 1.00 0.00 C ATOM 1217 C GLY A 101 -11.656 -2.741 -5.881 1.00 0.00 C ATOM 1218 O GLY A 101 -10.479 -2.368 -5.861 1.00 0.00 O ATOM 0 H GLY A 101 -11.971 -0.634 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.451 -2.265 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.392 -1.579 -6.404 1.00 0.00 H new ATOM 1222 N PHE A 102 -12.005 -3.973 -6.251 1.00 0.00 N ATOM 1223 CA PHE A 102 -11.037 -4.972 -6.691 1.00 0.00 C ATOM 1224 C PHE A 102 -10.271 -4.471 -7.918 1.00 0.00 C ATOM 1225 O PHE A 102 -9.065 -4.673 -8.001 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.756 -6.294 -6.988 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.842 -7.493 -7.179 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.162 -7.693 -8.395 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.697 -8.435 -6.143 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.342 -8.821 -8.572 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.876 -9.561 -6.318 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.200 -9.759 -7.536 1.00 0.00 C ATOM 0 H PHE A 102 -12.969 -4.305 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.312 -5.144 -5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.444 -6.507 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.359 -6.168 -7.888 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -10.271 -6.977 -9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.220 -8.291 -5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.820 -8.967 -9.506 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.763 -10.276 -5.516 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.575 -10.629 -7.674 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.941 -3.788 -8.853 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.311 -3.257 -10.056 1.00 0.00 C ATOM 1244 C ALA A 103 -9.238 -2.221 -9.726 1.00 0.00 C ATOM 1245 O ALA A 103 -8.237 -2.156 -10.431 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.365 -2.637 -10.976 1.00 0.00 C ATOM 0 H ALA A 103 -11.940 -3.590 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.826 -4.090 -10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.881 -2.244 -11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.092 -3.398 -11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.873 -1.827 -10.453 1.00 0.00 H new ATOM 1252 N TYR A 104 -9.418 -1.426 -8.665 1.00 0.00 N ATOM 1253 CA TYR A 104 -8.400 -0.481 -8.224 1.00 0.00 C ATOM 1254 C TYR A 104 -7.169 -1.234 -7.732 1.00 0.00 C ATOM 1255 O TYR A 104 -6.052 -0.912 -8.129 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.970 0.457 -7.154 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.931 1.319 -6.464 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.211 0.793 -5.373 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -7.698 2.642 -6.887 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.257 1.579 -4.710 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -6.753 3.440 -6.216 1.00 0.00 C ATOM 1262 CZ TYR A 104 -6.021 2.904 -5.131 1.00 0.00 C ATOM 1263 OH TYR A 104 -5.089 3.642 -4.472 1.00 0.00 O ATOM 0 H TYR A 104 -10.265 -1.423 -8.097 1.00 0.00 H new ATOM 0 HA TYR A 104 -8.092 0.140 -9.065 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.715 1.105 -7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.488 -0.139 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.394 -0.220 -5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.245 3.044 -7.727 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.704 1.170 -3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.587 4.460 -6.529 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.034 4.534 -4.874 1.00 0.00 H new ATOM 1273 N LEU A 105 -7.366 -2.252 -6.887 1.00 0.00 N ATOM 1274 CA LEU A 105 -6.262 -3.067 -6.391 1.00 0.00 C ATOM 1275 C LEU A 105 -5.553 -3.740 -7.561 1.00 0.00 C ATOM 1276 O LEU A 105 -4.325 -3.745 -7.614 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.765 -4.114 -5.385 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.316 -3.516 -4.079 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.889 -4.643 -3.217 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.228 -2.759 -3.310 1.00 0.00 C ATOM 0 H LEU A 105 -8.283 -2.528 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.553 -2.421 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.546 -4.710 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.947 -4.793 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.102 -2.801 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.282 -4.228 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.692 -5.143 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.102 -5.362 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.650 -2.349 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.415 -3.442 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.844 -1.947 -3.928 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.318 -4.285 -8.509 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.792 -4.915 -9.706 1.00 0.00 C ATOM 1294 C ALA A 106 -4.987 -3.921 -10.541 1.00 0.00 C ATOM 1295 O ALA A 106 -3.955 -4.297 -11.091 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.934 -5.532 -10.515 1.00 0.00 C ATOM 0 H ALA A 106 -7.337 -4.297 -8.459 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.110 -5.713 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.532 -6.003 -11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.445 -6.281 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.640 -4.752 -10.800 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.428 -2.665 -10.622 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.691 -1.603 -11.292 1.00 0.00 C ATOM 1304 C GLU A 107 -3.341 -1.422 -10.611 1.00 0.00 C ATOM 1305 O GLU A 107 -2.320 -1.454 -11.290 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.464 -0.270 -11.317 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.897 0.665 -12.403 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.002 2.153 -12.079 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.957 2.591 -11.396 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -4.113 2.926 -12.511 1.00 0.00 O ATOM 0 H GLU A 107 -6.314 -2.358 -10.220 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.550 -1.900 -12.331 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.520 -0.459 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.398 0.213 -10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.849 0.416 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.421 0.473 -13.339 1.00 0.00 H new ATOM 1317 N LEU A 108 -3.319 -1.267 -9.285 1.00 0.00 N ATOM 1318 CA LEU A 108 -2.074 -1.089 -8.545 1.00 0.00 C ATOM 1319 C LEU A 108 -1.137 -2.272 -8.753 1.00 0.00 C ATOM 1320 O LEU A 108 0.060 -2.069 -8.936 1.00 0.00 O ATOM 1321 CB LEU A 108 -2.324 -0.906 -7.045 1.00 0.00 C ATOM 1322 CG LEU A 108 -3.080 0.370 -6.642 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.079 0.445 -5.118 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -2.431 1.629 -7.211 1.00 0.00 C ATOM 0 H LEU A 108 -4.156 -1.262 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.608 -0.184 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.885 -1.767 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.362 -0.913 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.092 0.322 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.609 1.342 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.576 -0.435 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.051 0.482 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.001 2.505 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.409 1.710 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.420 1.572 -8.299 1.00 0.00 H new ATOM 1336 N SER A 109 -1.679 -3.491 -8.760 1.00 0.00 N ATOM 1337 CA SER A 109 -0.920 -4.699 -9.031 1.00 0.00 C ATOM 1338 C SER A 109 -0.268 -4.563 -10.421 1.00 0.00 C ATOM 1339 O SER A 109 0.946 -4.695 -10.579 1.00 0.00 O ATOM 1340 CB SER A 109 -1.852 -5.914 -8.936 1.00 0.00 C ATOM 1341 OG SER A 109 -1.158 -7.129 -8.706 1.00 0.00 O ATOM 0 H SER A 109 -2.667 -3.662 -8.575 1.00 0.00 H new ATOM 0 HA SER A 109 -0.126 -4.843 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.568 -5.753 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.425 -5.999 -9.860 1.00 0.00 H new ATOM 0 HG SER A 109 -0.903 -7.186 -7.762 1.00 0.00 H new ATOM 1347 N LYS A 110 -1.050 -4.219 -11.449 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.539 -4.067 -12.815 1.00 0.00 C ATOM 1349 C LYS A 110 0.465 -2.928 -12.920 1.00 0.00 C ATOM 1350 O LYS A 110 1.382 -3.008 -13.740 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.692 -3.828 -13.797 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.628 -5.040 -13.925 1.00 0.00 C ATOM 1353 CD LYS A 110 -4.016 -4.608 -14.414 1.00 0.00 C ATOM 1354 CE LYS A 110 -5.114 -5.558 -13.933 1.00 0.00 C ATOM 1355 NZ LYS A 110 -5.037 -6.895 -14.551 1.00 0.00 N ATOM 0 H LYS A 110 -2.050 -4.039 -11.359 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.028 -4.995 -13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.268 -2.963 -13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.283 -3.586 -14.778 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.201 -5.763 -14.621 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.717 -5.540 -12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.228 -3.600 -14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.021 -4.570 -15.503 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.048 -5.661 -12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.087 -5.119 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.806 -7.491 -14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.129 -6.806 -15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.121 -7.331 -14.321 1.00 0.00 H new ATOM 1369 N ASN A 111 0.339 -1.910 -12.078 1.00 0.00 N ATOM 1370 CA ASN A 111 1.159 -0.700 -12.086 1.00 0.00 C ATOM 1371 C ASN A 111 2.472 -0.886 -11.333 1.00 0.00 C ATOM 1372 O ASN A 111 3.180 0.082 -11.047 1.00 0.00 O ATOM 1373 CB ASN A 111 0.407 0.512 -11.498 1.00 0.00 C ATOM 1374 CG ASN A 111 -0.810 1.005 -12.271 1.00 0.00 C ATOM 1375 OD1 ASN A 111 -1.141 0.541 -13.363 1.00 0.00 O ATOM 1376 ND2 ASN A 111 -1.482 1.999 -11.712 1.00 0.00 N ATOM 0 H ASN A 111 -0.365 -1.902 -11.340 1.00 0.00 H new ATOM 0 HA ASN A 111 1.382 -0.504 -13.135 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.087 0.256 -10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.112 1.339 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.293 2.397 -12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.189 2.367 -10.807 1.00 0.00 H new ATOM 1383 N THR A 112 2.839 -2.127 -11.066 1.00 0.00 N ATOM 1384 CA THR A 112 4.116 -2.456 -10.461 1.00 0.00 C ATOM 1385 C THR A 112 5.192 -2.266 -11.532 1.00 0.00 C ATOM 1386 O THR A 112 5.102 -2.893 -12.592 1.00 0.00 O ATOM 1387 CB THR A 112 4.122 -3.898 -9.947 1.00 0.00 C ATOM 1388 OG1 THR A 112 3.029 -4.120 -9.096 1.00 0.00 O ATOM 1389 CG2 THR A 112 5.388 -4.151 -9.133 1.00 0.00 C ATOM 0 H THR A 112 2.255 -2.939 -11.264 1.00 0.00 H new ATOM 0 HA THR A 112 4.306 -1.808 -9.605 1.00 0.00 H new ATOM 0 HB THR A 112 4.072 -4.561 -10.810 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.237 -4.336 -9.631 1.00 0.00 H new ATOM 0 HG21 THR A 112 5.388 -5.179 -8.769 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.263 -3.989 -9.762 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.419 -3.466 -8.285 1.00 0.00 H new ATOM 1397 N PRO A 113 6.231 -1.446 -11.305 1.00 0.00 N ATOM 1398 CA PRO A 113 7.367 -1.324 -12.209 1.00 0.00 C ATOM 1399 C PRO A 113 8.326 -2.515 -12.010 1.00 0.00 C ATOM 1400 O PRO A 113 9.519 -2.328 -11.750 1.00 0.00 O ATOM 1401 CB PRO A 113 7.967 0.036 -11.855 1.00 0.00 C ATOM 1402 CG PRO A 113 7.761 0.100 -10.349 1.00 0.00 C ATOM 1403 CD PRO A 113 6.400 -0.560 -10.162 1.00 0.00 C ATOM 0 HA PRO A 113 7.113 -1.361 -13.268 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.021 0.098 -12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.459 0.851 -12.370 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.545 -0.433 -9.811 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.765 1.127 -9.984 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.360 -1.117 -9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.605 0.185 -10.124 1.00 0.00 H new ATOM 1411 N SER A 114 7.795 -3.740 -12.108 1.00 0.00 N ATOM 1412 CA SER A 114 8.448 -5.000 -11.771 1.00 0.00 C ATOM 1413 C SER A 114 9.038 -4.984 -10.349 1.00 0.00 C ATOM 1414 O SER A 114 8.889 -4.017 -9.595 1.00 0.00 O ATOM 1415 CB SER A 114 9.509 -5.289 -12.848 1.00 0.00 C ATOM 1416 OG SER A 114 9.815 -6.667 -12.923 1.00 0.00 O ATOM 0 H SER A 114 6.843 -3.881 -12.445 1.00 0.00 H new ATOM 0 HA SER A 114 7.714 -5.806 -11.763 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.148 -4.943 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.416 -4.726 -12.626 1.00 0.00 H new ATOM 0 HG SER A 114 10.490 -6.815 -13.618 1.00 0.00 H new ATOM 1422 N ALA A 115 9.661 -6.089 -9.939 1.00 0.00 N ATOM 1423 CA ALA A 115 10.475 -6.127 -8.733 1.00 0.00 C ATOM 1424 C ALA A 115 11.841 -5.706 -9.268 1.00 0.00 C ATOM 1425 O ALA A 115 12.552 -6.517 -9.866 1.00 0.00 O ATOM 1426 CB ALA A 115 10.473 -7.518 -8.088 1.00 0.00 C ATOM 0 H ALA A 115 9.613 -6.979 -10.435 1.00 0.00 H new ATOM 0 HA ALA A 115 10.120 -5.484 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.092 -7.504 -7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.453 -7.794 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.873 -8.247 -8.793 1.00 0.00 H new ATOM 1432 N ALA A 116 12.132 -4.405 -9.220 1.00 0.00 N ATOM 1433 CA ALA A 116 13.278 -3.809 -9.895 1.00 0.00 C ATOM 1434 C ALA A 116 14.000 -2.802 -9.016 1.00 0.00 C ATOM 1435 O ALA A 116 15.229 -2.792 -8.978 1.00 0.00 O ATOM 1436 CB ALA A 116 12.802 -3.123 -11.177 1.00 0.00 C ATOM 0 H ALA A 116 11.569 -3.730 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 116 13.984 -4.606 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.654 -2.675 -11.688 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.333 -3.859 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.079 -2.346 -10.927 1.00 0.00 H new ATOM 1442 N ASN A 117 13.247 -1.926 -8.355 1.00 0.00 N ATOM 1443 CA ASN A 117 13.773 -0.839 -7.541 1.00 0.00 C ATOM 1444 C ASN A 117 12.897 -0.690 -6.297 1.00 0.00 C ATOM 1445 O ASN A 117 12.725 0.420 -5.795 1.00 0.00 O ATOM 1446 CB ASN A 117 13.844 0.455 -8.378 1.00 0.00 C ATOM 1447 CG ASN A 117 14.889 0.366 -9.479 1.00 0.00 C ATOM 1448 OD1 ASN A 117 16.085 0.390 -9.202 1.00 0.00 O ATOM 1449 ND2 ASN A 117 14.485 0.265 -10.732 1.00 0.00 N ATOM 0 H ASN A 117 12.228 -1.956 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 117 14.789 -1.056 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.868 0.654 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.076 1.296 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.170 0.206 -11.485 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.488 0.246 -10.946 1.00 0.00 H new ATOM 1456 N ILE A 118 12.263 -1.777 -5.843 1.00 0.00 N ATOM 1457 CA ILE A 118 11.255 -1.785 -4.789 1.00 0.00 C ATOM 1458 C ILE A 118 11.799 -1.230 -3.486 1.00 0.00 C ATOM 1459 O ILE A 118 11.193 -0.342 -2.894 1.00 0.00 O ATOM 1460 CB ILE A 118 10.664 -3.200 -4.635 1.00 0.00 C ATOM 1461 CG1 ILE A 118 9.276 -3.050 -3.969 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.565 -4.245 -3.952 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.506 -4.357 -3.802 1.00 0.00 C ATOM 0 H ILE A 118 12.448 -2.708 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 118 10.442 -1.118 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 118 10.572 -3.633 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.406 -2.592 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.675 -2.363 -4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 118 11.041 -5.200 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 118 12.483 -4.365 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.809 -3.911 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.546 -4.155 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.339 -4.809 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.082 -5.042 -3.180 1.00 0.00 H new ATOM 1475 N SER A 119 12.963 -1.721 -3.090 1.00 0.00 N ATOM 1476 CA SER A 119 13.691 -1.240 -1.925 1.00 0.00 C ATOM 1477 C SER A 119 13.918 0.264 -2.029 1.00 0.00 C ATOM 1478 O SER A 119 13.679 1.000 -1.074 1.00 0.00 O ATOM 1479 CB SER A 119 15.018 -1.990 -1.795 1.00 0.00 C ATOM 1480 OG SER A 119 14.792 -3.367 -1.560 1.00 0.00 O ATOM 0 H SER A 119 13.438 -2.480 -3.579 1.00 0.00 H new ATOM 0 HA SER A 119 13.101 -1.430 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.604 -1.862 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.602 -1.567 -0.978 1.00 0.00 H new ATOM 0 HG SER A 119 15.652 -3.831 -1.481 1.00 0.00 H new ATOM 1486 N ALA A 120 14.315 0.727 -3.214 1.00 0.00 N ATOM 1487 CA ALA A 120 14.573 2.136 -3.459 1.00 0.00 C ATOM 1488 C ALA A 120 13.276 2.951 -3.397 1.00 0.00 C ATOM 1489 O ALA A 120 13.298 4.056 -2.857 1.00 0.00 O ATOM 1490 CB ALA A 120 15.305 2.330 -4.790 1.00 0.00 C ATOM 0 H ALA A 120 14.465 0.131 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 120 15.226 2.508 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.488 3.392 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.256 1.798 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.693 1.938 -5.602 1.00 0.00 H new ATOM 1496 N TYR A 121 12.153 2.432 -3.912 1.00 0.00 N ATOM 1497 CA TYR A 121 10.848 3.072 -3.817 1.00 0.00 C ATOM 1498 C TYR A 121 10.404 3.148 -2.354 1.00 0.00 C ATOM 1499 O TYR A 121 9.899 4.183 -1.932 1.00 0.00 O ATOM 1500 CB TYR A 121 9.795 2.323 -4.647 1.00 0.00 C ATOM 1501 CG TYR A 121 9.850 2.501 -6.152 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.586 3.758 -6.727 1.00 0.00 C ATOM 1503 CD2 TYR A 121 10.109 1.401 -6.989 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.573 3.911 -8.125 1.00 0.00 C ATOM 1505 CE2 TYR A 121 10.135 1.551 -8.385 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.840 2.803 -8.963 1.00 0.00 C ATOM 1507 OH TYR A 121 9.789 2.923 -10.318 1.00 0.00 O ATOM 0 H TYR A 121 12.133 1.543 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 121 10.940 4.081 -4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.885 1.259 -4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.809 2.636 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.392 4.610 -6.092 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.290 0.430 -6.553 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.359 4.876 -8.560 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.381 0.709 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 121 10.002 2.060 -10.731 1.00 0.00 H new ATOM 1517 N ALA A 122 10.599 2.087 -1.569 1.00 0.00 N ATOM 1518 CA ALA A 122 10.237 2.062 -0.161 1.00 0.00 C ATOM 1519 C ALA A 122 11.087 3.057 0.633 1.00 0.00 C ATOM 1520 O ALA A 122 10.552 3.793 1.461 1.00 0.00 O ATOM 1521 CB ALA A 122 10.374 0.632 0.367 1.00 0.00 C ATOM 0 H ALA A 122 11.016 1.217 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 122 9.199 2.372 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.104 0.607 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.711 -0.028 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.405 0.297 0.248 1.00 0.00 H new ATOM 1527 N ASP A 123 12.393 3.122 0.349 1.00 0.00 N ATOM 1528 CA ASP A 123 13.296 4.143 0.880 1.00 0.00 C ATOM 1529 C ASP A 123 12.822 5.542 0.465 1.00 0.00 C ATOM 1530 O ASP A 123 12.922 6.471 1.255 1.00 0.00 O ATOM 1531 CB ASP A 123 14.749 3.911 0.411 1.00 0.00 C ATOM 1532 CG ASP A 123 15.579 3.079 1.392 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.839 3.552 2.524 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.009 1.952 1.052 1.00 0.00 O ATOM 0 H ASP A 123 12.857 2.454 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 123 13.279 4.069 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.735 3.410 -0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.234 4.876 0.264 1.00 0.00 H new ATOM 1539 N ILE A 124 12.275 5.708 -0.745 1.00 0.00 N ATOM 1540 CA ILE A 124 11.705 6.963 -1.236 1.00 0.00 C ATOM 1541 C ILE A 124 10.463 7.346 -0.428 1.00 0.00 C ATOM 1542 O ILE A 124 10.363 8.498 -0.012 1.00 0.00 O ATOM 1543 CB ILE A 124 11.465 6.870 -2.769 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.713 7.395 -3.505 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.182 7.568 -3.268 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.872 6.829 -4.922 1.00 0.00 C ATOM 0 H ILE A 124 12.216 4.951 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 124 12.411 7.780 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 124 11.301 5.817 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.662 8.482 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.600 7.147 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.100 7.450 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.313 7.119 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.226 8.629 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 124 13.771 7.242 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.955 5.743 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 124 12.003 7.099 -5.521 1.00 0.00 H new ATOM 1558 N VAL A 125 9.510 6.439 -0.199 1.00 0.00 N ATOM 1559 CA VAL A 125 8.334 6.750 0.615 1.00 0.00 C ATOM 1560 C VAL A 125 8.804 7.105 2.028 1.00 0.00 C ATOM 1561 O VAL A 125 8.346 8.102 2.587 1.00 0.00 O ATOM 1562 CB VAL A 125 7.328 5.586 0.598 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.090 5.866 1.472 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.813 5.307 -0.827 1.00 0.00 C ATOM 0 H VAL A 125 9.530 5.487 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 125 7.803 7.607 0.201 1.00 0.00 H new ATOM 0 HB VAL A 125 7.876 4.729 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.412 5.014 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.402 6.026 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.580 6.757 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.105 4.479 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.318 6.197 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.652 5.047 -1.473 1.00 0.00 H new ATOM 1574 N ARG A 126 9.758 6.351 2.587 1.00 0.00 N ATOM 1575 CA ARG A 126 10.347 6.704 3.873 1.00 0.00 C ATOM 1576 C ARG A 126 10.984 8.085 3.824 1.00 0.00 C ATOM 1577 O ARG A 126 10.780 8.845 4.759 1.00 0.00 O ATOM 1578 CB ARG A 126 11.341 5.639 4.357 1.00 0.00 C ATOM 1579 CG ARG A 126 11.890 5.916 5.770 1.00 0.00 C ATOM 1580 CD ARG A 126 10.798 6.212 6.815 1.00 0.00 C ATOM 1581 NE ARG A 126 11.319 6.068 8.178 1.00 0.00 N ATOM 1582 CZ ARG A 126 10.630 5.726 9.270 1.00 0.00 C ATOM 1583 NH1 ARG A 126 9.317 5.515 9.271 1.00 0.00 N ATOM 1584 NH2 ARG A 126 11.298 5.596 10.406 1.00 0.00 N ATOM 0 H ARG A 126 10.133 5.500 2.168 1.00 0.00 H new ATOM 0 HA ARG A 126 9.539 6.739 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.852 4.665 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.173 5.583 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.471 5.054 6.099 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.575 6.763 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.419 7.224 6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.958 5.533 6.670 1.00 0.00 H new ATOM 0 HE ARG A 126 12.315 6.248 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.784 5.613 8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.843 5.256 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.305 5.756 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.805 5.336 11.260 1.00 0.00 H new ATOM 1598 N GLU A 127 11.695 8.459 2.761 1.00 0.00 N ATOM 1599 CA GLU A 127 12.234 9.805 2.606 1.00 0.00 C ATOM 1600 C GLU A 127 11.106 10.824 2.727 1.00 0.00 C ATOM 1601 O GLU A 127 11.221 11.801 3.458 1.00 0.00 O ATOM 1602 CB GLU A 127 12.917 9.966 1.241 1.00 0.00 C ATOM 1603 CG GLU A 127 13.835 11.199 1.185 1.00 0.00 C ATOM 1604 CD GLU A 127 13.798 11.943 -0.156 1.00 0.00 C ATOM 1605 OE1 GLU A 127 13.360 11.385 -1.189 1.00 0.00 O ATOM 1606 OE2 GLU A 127 14.159 13.144 -0.181 1.00 0.00 O ATOM 0 H GLU A 127 11.912 7.835 1.984 1.00 0.00 H new ATOM 0 HA GLU A 127 12.973 9.972 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.501 9.072 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.156 10.048 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.549 11.888 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.859 10.886 1.387 1.00 0.00 H new ATOM 1613 N ARG A 128 9.993 10.593 2.026 1.00 0.00 N ATOM 1614 CA ARG A 128 8.847 11.499 2.085 1.00 0.00 C ATOM 1615 C ARG A 128 8.243 11.559 3.499 1.00 0.00 C ATOM 1616 O ARG A 128 7.672 12.591 3.854 1.00 0.00 O ATOM 1617 CB ARG A 128 7.766 11.148 1.043 1.00 0.00 C ATOM 1618 CG ARG A 128 8.203 10.876 -0.411 1.00 0.00 C ATOM 1619 CD ARG A 128 9.417 11.664 -0.939 1.00 0.00 C ATOM 1620 NE ARG A 128 9.347 11.767 -2.405 1.00 0.00 N ATOM 1621 CZ ARG A 128 10.184 11.272 -3.321 1.00 0.00 C ATOM 1622 NH1 ARG A 128 11.423 10.889 -3.031 1.00 0.00 N ATOM 1623 NH2 ARG A 128 9.752 11.148 -4.567 1.00 0.00 N ATOM 0 H ARG A 128 9.863 9.788 1.413 1.00 0.00 H new ATOM 0 HA ARG A 128 9.227 12.490 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.236 10.265 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.046 11.966 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.424 9.813 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.355 11.084 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.436 12.660 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 128 10.341 11.166 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 128 8.550 12.288 -2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.771 10.967 -2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.026 10.517 -3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.801 11.428 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.370 10.773 -5.286 1.00 0.00 H new ATOM 1637 N ALA A 129 8.356 10.505 4.310 1.00 0.00 N ATOM 1638 CA ALA A 129 7.994 10.527 5.724 1.00 0.00 C ATOM 1639 C ALA A 129 9.039 11.248 6.583 1.00 0.00 C ATOM 1640 O ALA A 129 8.679 11.978 7.499 1.00 0.00 O ATOM 1641 CB ALA A 129 7.760 9.108 6.230 1.00 0.00 C ATOM 0 H ALA A 129 8.707 9.600 3.996 1.00 0.00 H new ATOM 0 HA ALA A 129 7.068 11.094 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.491 9.138 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.951 8.648 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.671 8.522 6.104 1.00 0.00 H new ATOM 1647 N VAL A 130 10.333 11.114 6.303 1.00 0.00 N ATOM 1648 CA VAL A 130 11.354 11.896 6.996 1.00 0.00 C ATOM 1649 C VAL A 130 11.186 13.381 6.640 1.00 0.00 C ATOM 1650 O VAL A 130 11.369 14.246 7.491 1.00 0.00 O ATOM 1651 CB VAL A 130 12.756 11.325 6.716 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.834 12.150 7.429 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.877 9.878 7.234 1.00 0.00 C ATOM 0 H VAL A 130 10.700 10.471 5.601 1.00 0.00 H new ATOM 0 HA VAL A 130 11.229 11.822 8.076 1.00 0.00 H new ATOM 0 HB VAL A 130 12.898 11.358 5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.816 11.727 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.798 13.180 7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.656 12.130 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.877 9.499 7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.701 9.861 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 130 12.138 9.250 6.736 1.00 0.00 H new ATOM 1663 N VAL A 131 10.723 13.718 5.439 1.00 0.00 N ATOM 1664 CA VAL A 131 10.318 15.076 5.094 1.00 0.00 C ATOM 1665 C VAL A 131 9.106 15.497 5.951 1.00 0.00 C ATOM 1666 O VAL A 131 8.984 16.665 6.320 1.00 0.00 O ATOM 1667 CB VAL A 131 10.068 15.135 3.568 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.330 16.395 3.110 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.396 15.070 2.795 1.00 0.00 C ATOM 0 H VAL A 131 10.618 13.052 4.674 1.00 0.00 H new ATOM 0 HA VAL A 131 11.100 15.801 5.321 1.00 0.00 H new ATOM 0 HB VAL A 131 9.437 14.272 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.192 16.363 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.357 16.445 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 131 9.915 17.276 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.196 15.113 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.025 15.913 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 131 11.909 14.138 3.031 1.00 0.00 H new ATOM 1679 N ARG A 132 8.198 14.578 6.288 1.00 0.00 N ATOM 1680 CA ARG A 132 7.097 14.799 7.229 1.00 0.00 C ATOM 1681 C ARG A 132 7.554 15.030 8.673 1.00 0.00 C ATOM 1682 O ARG A 132 6.747 15.538 9.454 1.00 0.00 O ATOM 1683 CB ARG A 132 6.111 13.611 7.113 1.00 0.00 C ATOM 1684 CG ARG A 132 4.649 13.835 7.512 1.00 0.00 C ATOM 1685 CD ARG A 132 3.872 14.706 6.523 1.00 0.00 C ATOM 1686 NE ARG A 132 3.876 16.109 6.941 1.00 0.00 N ATOM 1687 CZ ARG A 132 3.991 17.191 6.177 1.00 0.00 C ATOM 1688 NH1 ARG A 132 4.130 17.106 4.857 1.00 0.00 N ATOM 1689 NH2 ARG A 132 3.961 18.373 6.778 1.00 0.00 N ATOM 0 H ARG A 132 8.209 13.633 5.903 1.00 0.00 H new ATOM 0 HA ARG A 132 6.597 15.728 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.124 13.269 6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.500 12.796 7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.153 12.869 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.617 14.301 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.314 14.618 5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.845 14.349 6.448 1.00 0.00 H new ATOM 0 HE ARG A 132 3.778 16.277 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.151 16.192 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.216 17.955 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.853 18.428 7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 132 4.046 19.227 6.227 1.00 0.00 H new ATOM 1703 N GLU A 133 8.795 14.705 9.053 1.00 0.00 N ATOM 1704 CA GLU A 133 9.329 14.993 10.389 1.00 0.00 C ATOM 1705 C GLU A 133 10.235 16.227 10.322 1.00 0.00 C ATOM 1706 O GLU A 133 9.974 17.236 10.979 1.00 0.00 O ATOM 1707 CB GLU A 133 9.940 13.735 11.050 1.00 0.00 C ATOM 1708 CG GLU A 133 11.427 13.449 10.789 1.00 0.00 C ATOM 1709 CD GLU A 133 11.886 12.120 11.385 1.00 0.00 C ATOM 1710 OE1 GLU A 133 11.872 11.979 12.632 1.00 0.00 O ATOM 1711 OE2 GLU A 133 12.302 11.211 10.633 1.00 0.00 O ATOM 0 H GLU A 133 9.460 14.233 8.440 1.00 0.00 H new ATOM 0 HA GLU A 133 8.522 15.258 11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.797 13.818 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 133 9.367 12.869 10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.608 13.442 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 133 12.027 14.257 11.208 1.00 0.00 H new ATOM 1718 N MET A 134 11.239 16.212 9.445 1.00 0.00 N ATOM 1719 CA MET A 134 12.125 17.331 9.139 1.00 0.00 C ATOM 1720 C MET A 134 11.447 18.292 8.154 1.00 0.00 C ATOM 1721 O MET A 134 12.015 18.657 7.119 1.00 0.00 O ATOM 1722 CB MET A 134 13.489 16.827 8.639 1.00 0.00 C ATOM 1723 CG MET A 134 14.255 16.067 9.725 1.00 0.00 C ATOM 1724 SD MET A 134 15.984 15.719 9.311 1.00 0.00 S ATOM 1725 CE MET A 134 16.738 17.356 9.529 1.00 0.00 C ATOM 0 H MET A 134 11.466 15.378 8.903 1.00 0.00 H new ATOM 0 HA MET A 134 12.320 17.895 10.051 1.00 0.00 H new ATOM 0 HB2 MET A 134 13.341 16.176 7.777 1.00 0.00 H new ATOM 0 HB3 MET A 134 14.086 17.674 8.300 1.00 0.00 H new ATOM 0 HG2 MET A 134 14.224 16.646 10.648 1.00 0.00 H new ATOM 0 HG3 MET A 134 13.744 15.125 9.922 1.00 0.00 H new ATOM 0 HE1 MET A 134 17.819 17.277 9.413 1.00 0.00 H new ATOM 0 HE2 MET A 134 16.342 18.042 8.780 1.00 0.00 H new ATOM 0 HE3 MET A 134 16.507 17.733 10.525 1.00 0.00 H new ATOM 1735 N ILE A 135 10.221 18.690 8.485 1.00 0.00 N ATOM 1736 CA ILE A 135 9.410 19.691 7.818 1.00 0.00 C ATOM 1737 C ILE A 135 10.161 20.989 7.495 1.00 0.00 C ATOM 1738 O ILE A 135 11.153 21.352 8.135 1.00 0.00 O ATOM 1739 CB ILE A 135 8.145 19.956 8.663 1.00 0.00 C ATOM 1740 CG1 ILE A 135 8.512 20.557 10.042 1.00 0.00 C ATOM 1741 CG2 ILE A 135 7.310 18.668 8.795 1.00 0.00 C ATOM 1742 CD1 ILE A 135 7.315 20.785 10.961 1.00 0.00 C ATOM 0 H ILE A 135 9.737 18.287 9.288 1.00 0.00 H new ATOM 0 HA ILE A 135 9.129 19.290 6.844 1.00 0.00 H new ATOM 0 HB ILE A 135 7.531 20.696 8.150 1.00 0.00 H new ATOM 0 HG12 ILE A 135 9.217 19.892 10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 135 9.024 21.507 9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.422 18.870 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.010 18.325 7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.907 17.896 9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 135 7.657 21.208 11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 135 6.618 21.475 10.486 1.00 0.00 H new ATOM 0 HD13 ILE A 135 6.814 19.835 11.149 1.00 0.00 H new ATOM 1754 N SER A 136 9.670 21.695 6.477 1.00 0.00 N ATOM 1755 CA SER A 136 10.225 22.952 6.003 1.00 0.00 C ATOM 1756 C SER A 136 9.892 24.077 6.966 1.00 0.00 C ATOM 1757 O SER A 136 8.846 24.034 7.654 1.00 0.00 O ATOM 1758 CB SER A 136 9.678 23.281 4.618 1.00 0.00 C ATOM 1759 OG SER A 136 9.878 22.199 3.721 1.00 0.00 O ATOM 1760 OXT SER A 136 10.640 25.077 6.963 1.00 0.00 O ATOM 0 H SER A 136 8.851 21.395 5.947 1.00 0.00 H new ATOM 0 HA SER A 136 11.308 22.848 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 136 8.614 23.508 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 136 10.170 24.174 4.232 1.00 0.00 H new ATOM 0 HG SER A 136 10.430 22.496 2.968 1.00 0.00 H new TER 1766 SER A 136