USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 67 THR OG1 : rot 180:sc= -0.175 USER MOD Set 1.2: A 82 THR OG1 : rot 62:sc= -0.744! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -13.2! C(o=-13!,f=-19!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -1.69! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 44:sc= 0.992 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 121:sc= 0.947 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -6.36! C(o=-6.4!,f=-9.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.814 F(o=-1.7!,f=-0.81) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.56! C(o=-4.6!,f=-4.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= -3.39! USER MOD Single : A 44 THR OG1 : rot 53:sc= -0.425 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.38! C(o=-3.4!,f=-5.9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.115 USER MOD Single : A 56 TYR OH : rot -130:sc= -6.03! USER MOD Single : A 58 ASN : amide:sc= -4.51! C(o=-4.5!,f=-11!) USER MOD Single : A 59 THR OG1 : rot 53:sc= 0.98 USER MOD Single : A 63 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot -80:sc= -1.55! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -115:sc= 1.11 (180deg=-1.33!) USER MOD Single : A 69 THR OG1 : rot 57:sc= 0.803 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -121:sc= -1.39 (180deg=-3.59!) USER MOD Single : A 78 ASN : amide:sc= -7.13! C(o=-7.1!,f=-12!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 76:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.418 16.291 -5.030 1.00 0.00 N ATOM 38 CA ASP A 3 -7.438 15.484 -5.688 1.00 0.00 C ATOM 39 C ASP A 3 -6.830 14.265 -6.377 1.00 0.00 C ATOM 40 O ASP A 3 -7.138 13.978 -7.535 1.00 0.00 O ATOM 41 CB ASP A 3 -8.205 16.331 -6.703 1.00 0.00 C ATOM 42 CG ASP A 3 -9.680 16.439 -6.368 1.00 0.00 C ATOM 43 OD1 ASP A 3 -10.005 16.664 -5.183 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.510 16.300 -7.290 1.00 0.00 O ATOM 0 HA ASP A 3 -8.126 15.127 -4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.770 17.330 -6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.091 15.895 -7.696 1.00 0.00 H new ATOM 49 N PRO A 4 -5.961 13.519 -5.673 1.00 0.00 N ATOM 50 CA PRO A 4 -5.323 12.322 -6.227 1.00 0.00 C ATOM 51 C PRO A 4 -6.295 11.153 -6.313 1.00 0.00 C ATOM 52 O PRO A 4 -7.166 11.003 -5.456 1.00 0.00 O ATOM 53 CB PRO A 4 -4.214 12.023 -5.219 1.00 0.00 C ATOM 54 CG PRO A 4 -4.728 12.560 -3.929 1.00 0.00 C ATOM 55 CD PRO A 4 -5.541 13.777 -4.282 1.00 0.00 C ATOM 0 HA PRO A 4 -4.962 12.474 -7.244 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.016 10.953 -5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.278 12.504 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.339 11.819 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.908 12.819 -3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.398 13.893 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.951 14.690 -4.204 1.00 0.00 H new ATOM 63 N THR A 5 -6.149 10.322 -7.342 1.00 0.00 N ATOM 64 CA THR A 5 -7.039 9.174 -7.502 1.00 0.00 C ATOM 65 C THR A 5 -6.252 7.881 -7.637 1.00 0.00 C ATOM 66 O THR A 5 -6.037 7.381 -8.741 1.00 0.00 O ATOM 67 CB THR A 5 -7.948 9.361 -8.715 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.588 10.623 -8.677 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.022 8.299 -8.819 1.00 0.00 C ATOM 0 H THR A 5 -5.437 10.418 -8.066 1.00 0.00 H new ATOM 0 HA THR A 5 -7.655 9.108 -6.605 1.00 0.00 H new ATOM 0 HB THR A 5 -7.294 9.283 -9.584 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.164 10.722 -9.464 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.635 8.487 -9.701 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.556 7.317 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.649 8.328 -7.928 1.00 0.00 H new ATOM 77 N ILE A 6 -5.814 7.342 -6.512 1.00 0.00 N ATOM 78 CA ILE A 6 -5.037 6.114 -6.516 1.00 0.00 C ATOM 79 C ILE A 6 -5.750 4.970 -5.800 1.00 0.00 C ATOM 80 O ILE A 6 -6.924 5.067 -5.449 1.00 0.00 O ATOM 81 CB ILE A 6 -3.649 6.339 -5.878 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.724 6.246 -4.351 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.096 7.693 -6.295 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.378 6.383 -3.671 1.00 0.00 C ATOM 0 H ILE A 6 -5.983 7.734 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.915 5.829 -7.561 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.980 5.555 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.391 7.024 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.166 5.289 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.117 7.842 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.001 7.729 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.773 8.480 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.506 6.308 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.715 5.589 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.943 7.351 -3.918 1.00 0.00 H new ATOM 96 N ASN A 7 -5.007 3.887 -5.598 1.00 0.00 N ATOM 97 CA ASN A 7 -5.510 2.689 -4.932 1.00 0.00 C ATOM 98 C ASN A 7 -6.409 3.021 -3.751 1.00 0.00 C ATOM 99 O ASN A 7 -6.473 4.160 -3.297 1.00 0.00 O ATOM 100 CB ASN A 7 -4.333 1.840 -4.460 1.00 0.00 C ATOM 101 CG ASN A 7 -3.408 2.606 -3.533 1.00 0.00 C ATOM 102 OD1 ASN A 7 -3.451 2.441 -2.316 1.00 0.00 O ATOM 103 ND2 ASN A 7 -2.561 3.455 -4.106 1.00 0.00 N ATOM 0 H ASN A 7 -4.033 3.814 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.111 2.136 -5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.709 0.955 -3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.769 1.491 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.916 3.998 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.556 3.564 -5.120 1.00 0.00 H new ATOM 110 N PRO A 8 -7.125 2.002 -3.251 1.00 0.00 N ATOM 111 CA PRO A 8 -8.042 2.161 -2.124 1.00 0.00 C ATOM 112 C PRO A 8 -7.356 2.737 -0.894 1.00 0.00 C ATOM 113 O PRO A 8 -6.381 3.481 -1.004 1.00 0.00 O ATOM 114 CB PRO A 8 -8.537 0.737 -1.854 1.00 0.00 C ATOM 115 CG PRO A 8 -8.335 0.015 -3.139 1.00 0.00 C ATOM 116 CD PRO A 8 -7.106 0.617 -3.755 1.00 0.00 C ATOM 0 HA PRO A 8 -8.845 2.863 -2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.975 0.270 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.586 0.732 -1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.205 -1.054 -2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.199 0.132 -3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.202 0.089 -3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.143 0.583 -4.844 1.00 0.00 H new ATOM 124 N THR A 9 -7.873 2.399 0.277 1.00 0.00 N ATOM 125 CA THR A 9 -7.304 2.899 1.521 1.00 0.00 C ATOM 126 C THR A 9 -7.181 1.802 2.579 1.00 0.00 C ATOM 127 O THR A 9 -6.711 2.063 3.685 1.00 0.00 O ATOM 128 CB THR A 9 -8.155 4.048 2.063 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.555 4.913 1.016 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.439 4.883 3.104 1.00 0.00 C ATOM 0 H THR A 9 -8.679 1.785 0.393 1.00 0.00 H new ATOM 0 HA THR A 9 -6.299 3.258 1.298 1.00 0.00 H new ATOM 0 HB THR A 9 -9.017 3.574 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.100 5.641 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.098 5.681 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.162 4.252 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.540 5.318 2.666 1.00 0.00 H new ATOM 138 N SER A 10 -7.598 0.580 2.248 1.00 0.00 N ATOM 139 CA SER A 10 -7.514 -0.512 3.211 1.00 0.00 C ATOM 140 C SER A 10 -7.748 -1.876 2.563 1.00 0.00 C ATOM 141 O SER A 10 -8.612 -2.036 1.701 1.00 0.00 O ATOM 142 CB SER A 10 -8.526 -0.303 4.340 1.00 0.00 C ATOM 143 OG SER A 10 -8.900 1.055 4.446 1.00 0.00 O ATOM 0 H SER A 10 -7.989 0.327 1.341 1.00 0.00 H new ATOM 0 HA SER A 10 -6.501 -0.504 3.614 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.410 -0.913 4.157 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.097 -0.639 5.284 1.00 0.00 H new ATOM 0 HG SER A 10 -9.548 1.160 5.174 1.00 0.00 H new ATOM 149 N ILE A 11 -6.970 -2.860 3.011 1.00 0.00 N ATOM 150 CA ILE A 11 -7.065 -4.227 2.521 1.00 0.00 C ATOM 151 C ILE A 11 -6.523 -5.200 3.563 1.00 0.00 C ATOM 152 O ILE A 11 -5.995 -4.781 4.594 1.00 0.00 O ATOM 153 CB ILE A 11 -6.290 -4.412 1.210 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.880 -3.829 1.334 1.00 0.00 C ATOM 155 CG2 ILE A 11 -7.043 -3.772 0.052 1.00 0.00 C ATOM 156 CD1 ILE A 11 -4.153 -3.698 0.013 1.00 0.00 C ATOM 0 H ILE A 11 -6.255 -2.727 3.726 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.119 -4.433 2.333 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.199 -5.479 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.943 -2.847 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.293 -4.462 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.479 -3.912 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.023 -4.239 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.166 -2.706 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.162 -3.278 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.056 -4.681 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.717 -3.041 -0.649 1.00 0.00 H new ATOM 168 N SER A 12 -6.659 -6.492 3.300 1.00 0.00 N ATOM 169 CA SER A 12 -6.177 -7.507 4.235 1.00 0.00 C ATOM 170 C SER A 12 -5.701 -8.760 3.507 1.00 0.00 C ATOM 171 O SER A 12 -6.305 -9.194 2.525 1.00 0.00 O ATOM 172 CB SER A 12 -7.278 -7.872 5.231 1.00 0.00 C ATOM 173 OG SER A 12 -8.486 -7.197 4.930 1.00 0.00 O ATOM 0 H SER A 12 -7.095 -6.863 2.456 1.00 0.00 H new ATOM 0 HA SER A 12 -5.327 -7.085 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.446 -8.949 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.958 -7.616 6.241 1.00 0.00 H new ATOM 0 HG SER A 12 -9.173 -7.450 5.581 1.00 0.00 H new ATOM 179 N ALA A 13 -4.613 -9.338 4.004 1.00 0.00 N ATOM 180 CA ALA A 13 -4.038 -10.541 3.422 1.00 0.00 C ATOM 181 C ALA A 13 -2.948 -11.105 4.327 1.00 0.00 C ATOM 182 O ALA A 13 -2.248 -10.354 5.005 1.00 0.00 O ATOM 183 CB ALA A 13 -3.485 -10.245 2.035 1.00 0.00 C ATOM 0 H ALA A 13 -4.108 -8.986 4.818 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.824 -11.291 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.058 -11.154 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.289 -9.888 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.711 -9.480 2.107 1.00 0.00 H new ATOM 189 N LYS A 14 -2.797 -12.425 4.339 1.00 0.00 N ATOM 190 CA LYS A 14 -1.780 -13.065 5.168 1.00 0.00 C ATOM 191 C LYS A 14 -0.388 -12.773 4.612 1.00 0.00 C ATOM 192 O LYS A 14 -0.228 -12.593 3.404 1.00 0.00 O ATOM 193 CB LYS A 14 -2.023 -14.578 5.236 1.00 0.00 C ATOM 194 CG LYS A 14 -0.802 -15.384 5.660 1.00 0.00 C ATOM 195 CD LYS A 14 -0.064 -15.948 4.457 1.00 0.00 C ATOM 196 CE LYS A 14 0.722 -17.194 4.822 1.00 0.00 C ATOM 197 NZ LYS A 14 1.219 -17.910 3.617 1.00 0.00 N ATOM 0 H LYS A 14 -3.362 -13.070 3.787 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.844 -12.659 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.836 -14.774 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.354 -14.927 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.129 -14.750 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.112 -16.199 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.778 -16.185 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.613 -15.193 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.566 -16.918 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.091 -17.863 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.750 -18.755 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.413 -18.196 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.842 -17.281 3.072 1.00 0.00 H new ATOM 211 N ALA A 15 0.618 -12.723 5.481 1.00 0.00 N ATOM 212 CA ALA A 15 1.970 -12.451 5.013 1.00 0.00 C ATOM 213 C ALA A 15 2.432 -13.578 4.119 1.00 0.00 C ATOM 214 O ALA A 15 2.735 -14.683 4.572 1.00 0.00 O ATOM 215 CB ALA A 15 2.936 -12.214 6.164 1.00 0.00 C ATOM 0 H ALA A 15 0.526 -12.863 6.487 1.00 0.00 H new ATOM 0 HA ALA A 15 1.955 -11.527 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.932 -12.015 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.601 -11.358 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.968 -13.099 6.800 1.00 0.00 H new ATOM 221 N GLY A 16 2.418 -13.288 2.839 1.00 0.00 N ATOM 222 CA GLY A 16 2.765 -14.256 1.832 1.00 0.00 C ATOM 223 C GLY A 16 1.619 -14.371 0.867 1.00 0.00 C ATOM 224 O GLY A 16 1.800 -14.410 -0.341 1.00 0.00 O ATOM 0 H GLY A 16 2.165 -12.372 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.671 -13.951 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.972 -15.223 2.291 1.00 0.00 H new ATOM 228 N SER A 17 0.415 -14.345 1.424 1.00 0.00 N ATOM 229 CA SER A 17 -0.793 -14.386 0.630 1.00 0.00 C ATOM 230 C SER A 17 -0.941 -13.077 -0.134 1.00 0.00 C ATOM 231 O SER A 17 -1.982 -12.790 -0.726 1.00 0.00 O ATOM 232 CB SER A 17 -1.986 -14.607 1.561 1.00 0.00 C ATOM 233 OG SER A 17 -3.020 -13.664 1.329 1.00 0.00 O ATOM 0 H SER A 17 0.255 -14.295 2.430 1.00 0.00 H new ATOM 0 HA SER A 17 -0.747 -15.203 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.375 -15.615 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.656 -14.536 2.597 1.00 0.00 H new ATOM 0 HG SER A 17 -3.155 -13.557 0.364 1.00 0.00 H new ATOM 239 N PHE A 18 0.116 -12.285 -0.110 1.00 0.00 N ATOM 240 CA PHE A 18 0.142 -11.008 -0.771 1.00 0.00 C ATOM 241 C PHE A 18 0.778 -11.132 -2.137 1.00 0.00 C ATOM 242 O PHE A 18 1.949 -10.806 -2.317 1.00 0.00 O ATOM 243 CB PHE A 18 0.944 -10.044 0.072 1.00 0.00 C ATOM 244 CG PHE A 18 0.191 -9.495 1.249 1.00 0.00 C ATOM 245 CD1 PHE A 18 -0.852 -8.608 1.069 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.536 -9.867 2.538 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.542 -8.102 2.153 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.145 -9.364 3.625 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.188 -8.481 3.434 1.00 0.00 C ATOM 0 H PHE A 18 0.983 -12.518 0.374 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.878 -10.645 -0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.841 -10.549 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.274 -9.215 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.131 -8.307 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.349 -10.560 2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.358 -7.411 2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.137 -9.660 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.726 -8.087 4.283 1.00 0.00 H new ATOM 259 N ALA A 19 0.010 -11.599 -3.094 1.00 0.00 N ATOM 260 CA ALA A 19 0.516 -11.759 -4.448 1.00 0.00 C ATOM 261 C ALA A 19 0.779 -10.394 -5.072 1.00 0.00 C ATOM 262 O ALA A 19 0.011 -9.455 -4.871 1.00 0.00 O ATOM 263 CB ALA A 19 -0.463 -12.552 -5.294 1.00 0.00 C ATOM 0 H ALA A 19 -0.964 -11.875 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 19 1.454 -12.312 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.066 -12.661 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.609 -13.538 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.418 -12.027 -5.334 1.00 0.00 H new ATOM 269 N ASP A 20 1.880 -10.285 -5.819 1.00 0.00 N ATOM 270 CA ASP A 20 2.254 -9.022 -6.459 1.00 0.00 C ATOM 271 C ASP A 20 1.012 -8.257 -6.893 1.00 0.00 C ATOM 272 O ASP A 20 0.120 -8.821 -7.529 1.00 0.00 O ATOM 273 CB ASP A 20 3.155 -9.285 -7.664 1.00 0.00 C ATOM 274 CG ASP A 20 3.488 -8.016 -8.425 1.00 0.00 C ATOM 275 OD1 ASP A 20 2.628 -7.545 -9.197 1.00 0.00 O ATOM 276 OD2 ASP A 20 4.608 -7.494 -8.248 1.00 0.00 O ATOM 0 H ASP A 20 2.527 -11.054 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 20 2.801 -8.418 -5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.078 -9.757 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.663 -9.989 -8.335 1.00 0.00 H new ATOM 281 N THR A 21 0.943 -6.980 -6.538 1.00 0.00 N ATOM 282 CA THR A 21 -0.200 -6.175 -6.886 1.00 0.00 C ATOM 283 C THR A 21 0.214 -4.908 -7.601 1.00 0.00 C ATOM 284 O THR A 21 1.318 -4.406 -7.426 1.00 0.00 O ATOM 285 CB THR A 21 -1.005 -5.826 -5.633 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.126 -6.953 -4.785 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.401 -5.326 -5.936 1.00 0.00 C ATOM 0 H THR A 21 1.666 -6.490 -6.012 1.00 0.00 H new ATOM 0 HA THR A 21 -0.823 -6.759 -7.563 1.00 0.00 H new ATOM 0 HB THR A 21 -0.449 -5.024 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.643 -6.709 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.916 -5.097 -5.003 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.340 -4.426 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.954 -6.095 -6.476 1.00 0.00 H new ATOM 295 N LYS A 22 -0.682 -4.405 -8.411 1.00 0.00 N ATOM 296 CA LYS A 22 -0.466 -3.207 -9.172 1.00 0.00 C ATOM 297 C LYS A 22 -1.317 -2.077 -8.635 1.00 0.00 C ATOM 298 O LYS A 22 -2.348 -2.298 -7.999 1.00 0.00 O ATOM 299 CB LYS A 22 -0.782 -3.457 -10.642 1.00 0.00 C ATOM 300 CG LYS A 22 -1.672 -4.666 -10.886 1.00 0.00 C ATOM 301 CD LYS A 22 -1.922 -4.881 -12.370 1.00 0.00 C ATOM 302 CE LYS A 22 -1.318 -6.190 -12.852 1.00 0.00 C ATOM 303 NZ LYS A 22 -0.083 -5.967 -13.656 1.00 0.00 N ATOM 0 H LYS A 22 -1.599 -4.827 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 22 0.582 -2.920 -9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.267 -2.572 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.153 -3.591 -11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.205 -5.555 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.623 -4.529 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.995 -4.881 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.496 -4.052 -12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.084 -6.820 -11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.051 -6.729 -13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.299 -6.883 -13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.311 -5.387 -14.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.626 -5.475 -13.075 1.00 0.00 H new ATOM 317 N ILE A 23 -0.854 -0.867 -8.872 1.00 0.00 N ATOM 318 CA ILE A 23 -1.536 0.312 -8.398 1.00 0.00 C ATOM 319 C ILE A 23 -1.425 1.447 -9.412 1.00 0.00 C ATOM 320 O ILE A 23 -0.468 1.509 -10.183 1.00 0.00 O ATOM 321 CB ILE A 23 -0.938 0.748 -7.067 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.160 -0.327 -6.008 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.516 2.080 -6.620 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.605 -0.486 -5.592 1.00 0.00 C ATOM 0 H ILE A 23 0.001 -0.677 -9.396 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.591 0.073 -8.264 1.00 0.00 H new ATOM 0 HB ILE A 23 0.135 0.882 -7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.795 -1.280 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.563 -0.086 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.072 2.368 -5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.296 2.842 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.596 1.987 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.682 -1.268 -4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.970 0.454 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.206 -0.759 -6.460 1.00 0.00 H new ATOM 336 N THR A 24 -2.408 2.341 -9.408 1.00 0.00 N ATOM 337 CA THR A 24 -2.407 3.464 -10.336 1.00 0.00 C ATOM 338 C THR A 24 -2.436 4.793 -9.593 1.00 0.00 C ATOM 339 O THR A 24 -3.463 5.189 -9.041 1.00 0.00 O ATOM 340 CB THR A 24 -3.604 3.371 -11.285 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.843 2.025 -11.657 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.423 4.173 -12.555 1.00 0.00 C ATOM 0 H THR A 24 -3.209 2.310 -8.778 1.00 0.00 H new ATOM 0 HA THR A 24 -1.485 3.417 -10.916 1.00 0.00 H new ATOM 0 HB THR A 24 -4.447 3.784 -10.731 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.613 1.985 -12.262 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.307 4.064 -13.183 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.283 5.225 -12.304 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.548 3.809 -13.094 1.00 0.00 H new ATOM 350 N LEU A 25 -1.297 5.475 -9.584 1.00 0.00 N ATOM 351 CA LEU A 25 -1.166 6.757 -8.919 1.00 0.00 C ATOM 352 C LEU A 25 -1.704 7.885 -9.797 1.00 0.00 C ATOM 353 O LEU A 25 -0.940 8.533 -10.508 1.00 0.00 O ATOM 354 CB LEU A 25 0.304 6.997 -8.622 1.00 0.00 C ATOM 355 CG LEU A 25 0.764 6.638 -7.212 1.00 0.00 C ATOM 356 CD1 LEU A 25 2.263 6.405 -7.200 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.387 7.736 -6.230 1.00 0.00 C ATOM 0 H LEU A 25 -0.442 5.152 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.745 6.743 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.897 6.424 -9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.524 8.050 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 25 0.263 5.720 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.583 6.149 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.509 5.587 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.775 7.311 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.724 7.461 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.862 8.670 -6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.695 7.865 -6.226 1.00 0.00 H new ATOM 369 N THR A 26 -3.014 8.123 -9.749 1.00 0.00 N ATOM 370 CA THR A 26 -3.622 9.183 -10.553 1.00 0.00 C ATOM 371 C THR A 26 -3.199 10.552 -10.033 1.00 0.00 C ATOM 372 O THR A 26 -3.647 10.989 -8.964 1.00 0.00 O ATOM 373 CB THR A 26 -5.144 9.073 -10.542 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.557 7.800 -11.007 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.823 10.115 -11.401 1.00 0.00 C ATOM 0 H THR A 26 -3.670 7.602 -9.168 1.00 0.00 H new ATOM 0 HA THR A 26 -3.274 9.067 -11.580 1.00 0.00 H new ATOM 0 HB THR A 26 -5.439 9.230 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.081 7.351 -10.311 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.904 9.981 -11.349 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.563 11.110 -11.040 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.493 10.006 -12.434 1.00 0.00 H new ATOM 383 N PRO A 27 -2.326 11.240 -10.797 1.00 0.00 N ATOM 384 CA PRO A 27 -1.794 12.561 -10.460 1.00 0.00 C ATOM 385 C PRO A 27 -2.576 13.688 -11.110 1.00 0.00 C ATOM 386 O PRO A 27 -2.178 14.839 -11.036 1.00 0.00 O ATOM 387 CB PRO A 27 -0.421 12.480 -11.083 1.00 0.00 C ATOM 388 CG PRO A 27 -0.677 11.777 -12.372 1.00 0.00 C ATOM 389 CD PRO A 27 -1.766 10.772 -12.081 1.00 0.00 C ATOM 0 HA PRO A 27 -1.825 12.774 -9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.009 13.469 -11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.276 11.927 -10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.989 12.479 -13.145 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.225 11.283 -12.734 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.521 10.757 -12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.369 9.760 -12.002 1.00 0.00 H new ATOM 397 N ASN A 28 -3.659 13.306 -11.770 1.00 0.00 N ATOM 398 CA ASN A 28 -4.543 14.191 -12.500 1.00 0.00 C ATOM 399 C ASN A 28 -4.705 15.515 -11.789 1.00 0.00 C ATOM 400 O ASN A 28 -5.773 15.866 -11.286 1.00 0.00 O ATOM 401 CB ASN A 28 -5.909 13.529 -12.681 1.00 0.00 C ATOM 402 CG ASN A 28 -6.401 13.598 -14.114 1.00 0.00 C ATOM 403 OD1 ASN A 28 -5.818 12.992 -15.012 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.480 14.341 -14.332 1.00 0.00 N ATOM 0 H ASN A 28 -3.955 12.331 -11.811 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.098 14.383 -13.476 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.848 12.486 -12.371 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.634 14.014 -12.027 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.858 14.427 -15.275 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.931 14.826 -13.556 1.00 0.00 H new ATOM 411 N GLY A 29 -3.610 16.228 -11.771 1.00 0.00 N ATOM 412 CA GLY A 29 -3.549 17.531 -11.139 1.00 0.00 C ATOM 413 C GLY A 29 -2.641 17.537 -9.925 1.00 0.00 C ATOM 414 O GLY A 29 -2.073 18.568 -9.564 1.00 0.00 O ATOM 0 H GLY A 29 -2.732 15.927 -12.193 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.193 18.266 -11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.552 17.836 -10.842 1.00 0.00 H new ATOM 418 N ASN A 30 -2.508 16.377 -9.305 1.00 0.00 N ATOM 419 CA ASN A 30 -1.672 16.213 -8.124 1.00 0.00 C ATOM 420 C ASN A 30 -0.410 15.423 -8.461 1.00 0.00 C ATOM 421 O ASN A 30 -0.330 14.779 -9.504 1.00 0.00 O ATOM 422 CB ASN A 30 -2.456 15.491 -7.025 1.00 0.00 C ATOM 423 CG ASN A 30 -3.932 15.352 -7.357 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.766 16.087 -6.836 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.260 14.412 -8.237 1.00 0.00 N ATOM 0 H ASN A 30 -2.976 15.521 -9.605 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.379 17.201 -7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.028 14.501 -6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.348 16.037 -6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.236 14.280 -8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.536 13.822 -8.647 1.00 0.00 H new ATOM 432 N THR A 31 0.566 15.473 -7.565 1.00 0.00 N ATOM 433 CA THR A 31 1.819 14.759 -7.767 1.00 0.00 C ATOM 434 C THR A 31 2.097 13.828 -6.595 1.00 0.00 C ATOM 435 O THR A 31 1.594 14.030 -5.490 1.00 0.00 O ATOM 436 CB THR A 31 2.980 15.735 -7.939 1.00 0.00 C ATOM 437 OG1 THR A 31 4.211 15.035 -7.997 1.00 0.00 O ATOM 438 CG2 THR A 31 3.080 16.753 -6.821 1.00 0.00 C ATOM 0 H THR A 31 0.515 15.999 -6.693 1.00 0.00 H new ATOM 0 HA THR A 31 1.724 14.167 -8.677 1.00 0.00 H new ATOM 0 HB THR A 31 2.780 16.266 -8.870 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.946 15.674 -8.109 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.926 17.415 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.162 17.340 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.224 16.238 -5.871 1.00 0.00 H new ATOM 446 N PHE A 32 2.903 12.805 -6.845 1.00 0.00 N ATOM 447 CA PHE A 32 3.246 11.832 -5.815 1.00 0.00 C ATOM 448 C PHE A 32 4.730 11.903 -5.461 1.00 0.00 C ATOM 449 O PHE A 32 5.563 12.233 -6.303 1.00 0.00 O ATOM 450 CB PHE A 32 2.893 10.425 -6.284 1.00 0.00 C ATOM 451 CG PHE A 32 3.228 9.357 -5.284 1.00 0.00 C ATOM 452 CD1 PHE A 32 2.851 9.487 -3.962 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.919 8.223 -5.674 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.156 8.505 -3.046 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.225 7.237 -4.763 1.00 0.00 C ATOM 456 CZ PHE A 32 3.844 7.379 -3.444 1.00 0.00 C ATOM 0 H PHE A 32 3.332 12.627 -7.753 1.00 0.00 H new ATOM 0 HA PHE A 32 2.669 12.071 -4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.827 10.382 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.421 10.218 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.312 10.367 -3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.222 8.110 -6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.856 8.617 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.762 6.355 -5.080 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.084 6.609 -2.725 1.00 0.00 H new ATOM 466 N ASN A 33 5.051 11.586 -4.208 1.00 0.00 N ATOM 467 CA ASN A 33 6.434 11.609 -3.744 1.00 0.00 C ATOM 468 C ASN A 33 6.928 10.199 -3.426 1.00 0.00 C ATOM 469 O ASN A 33 8.058 9.839 -3.748 1.00 0.00 O ATOM 470 CB ASN A 33 6.562 12.498 -2.507 1.00 0.00 C ATOM 471 CG ASN A 33 7.780 13.400 -2.565 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.911 12.929 -2.675 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.551 14.707 -2.495 1.00 0.00 N ATOM 0 H ASN A 33 4.372 11.311 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 33 7.052 12.017 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.665 13.110 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.620 11.871 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.330 15.364 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.596 15.053 -2.404 1.00 0.00 H new ATOM 480 N GLY A 34 6.070 9.406 -2.788 1.00 0.00 N ATOM 481 CA GLY A 34 6.438 8.045 -2.434 1.00 0.00 C ATOM 482 C GLY A 34 5.691 7.545 -1.213 1.00 0.00 C ATOM 483 O GLY A 34 4.893 8.274 -0.626 1.00 0.00 O ATOM 0 H GLY A 34 5.128 9.681 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.234 7.385 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.510 7.999 -2.245 1.00 0.00 H new ATOM 487 N ILE A 35 5.954 6.303 -0.820 1.00 0.00 N ATOM 488 CA ILE A 35 5.308 5.717 0.343 1.00 0.00 C ATOM 489 C ILE A 35 6.348 5.379 1.400 1.00 0.00 C ATOM 490 O ILE A 35 6.865 4.261 1.448 1.00 0.00 O ATOM 491 CB ILE A 35 4.541 4.432 0.003 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.815 4.566 -1.332 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.557 4.091 1.112 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.207 3.269 -1.818 1.00 0.00 C ATOM 0 H ILE A 35 6.612 5.684 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 35 4.599 6.458 0.712 1.00 0.00 H new ATOM 0 HB ILE A 35 5.263 3.620 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.028 5.314 -1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.515 4.934 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.021 3.177 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.099 3.944 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.845 4.908 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.707 3.437 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.993 2.524 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.483 2.910 -1.087 1.00 0.00 H new ATOM 506 N SER A 36 6.652 6.351 2.239 1.00 0.00 N ATOM 507 CA SER A 36 7.641 6.167 3.297 1.00 0.00 C ATOM 508 C SER A 36 7.192 5.102 4.276 1.00 0.00 C ATOM 509 O SER A 36 8.017 4.394 4.857 1.00 0.00 O ATOM 510 CB SER A 36 7.900 7.486 4.030 1.00 0.00 C ATOM 511 OG SER A 36 8.581 8.407 3.196 1.00 0.00 O ATOM 0 H SER A 36 6.230 7.279 2.213 1.00 0.00 H new ATOM 0 HA SER A 36 8.571 5.838 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.953 7.917 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.490 7.298 4.927 1.00 0.00 H new ATOM 0 HG SER A 36 8.733 9.242 3.686 1.00 0.00 H new ATOM 517 N GLU A 37 5.886 4.960 4.440 1.00 0.00 N ATOM 518 CA GLU A 37 5.357 3.946 5.327 1.00 0.00 C ATOM 519 C GLU A 37 5.982 2.605 4.961 1.00 0.00 C ATOM 520 O GLU A 37 6.145 1.723 5.801 1.00 0.00 O ATOM 521 CB GLU A 37 3.840 3.896 5.205 1.00 0.00 C ATOM 522 CG GLU A 37 3.131 3.576 6.508 1.00 0.00 C ATOM 523 CD GLU A 37 1.717 4.123 6.539 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.146 4.349 5.451 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.181 4.324 7.651 1.00 0.00 O ATOM 0 H GLU A 37 5.181 5.531 3.973 1.00 0.00 H new ATOM 0 HA GLU A 37 5.602 4.181 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.483 4.857 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.569 3.147 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.104 2.496 6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.698 3.992 7.340 1.00 0.00 H new ATOM 532 N LEU A 38 6.362 2.487 3.687 1.00 0.00 N ATOM 533 CA LEU A 38 7.008 1.297 3.170 1.00 0.00 C ATOM 534 C LEU A 38 8.092 1.686 2.169 1.00 0.00 C ATOM 535 O LEU A 38 7.834 1.790 0.970 1.00 0.00 O ATOM 536 CB LEU A 38 5.995 0.362 2.504 1.00 0.00 C ATOM 537 CG LEU A 38 4.662 1.002 2.127 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.248 0.571 0.730 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.590 0.634 3.142 1.00 0.00 C ATOM 0 H LEU A 38 6.227 3.220 2.990 1.00 0.00 H new ATOM 0 HA LEU A 38 7.461 0.766 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.447 -0.053 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.800 -0.473 3.177 1.00 0.00 H new ATOM 0 HG LEU A 38 4.781 2.086 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.295 1.035 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.008 0.882 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.143 -0.514 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.646 1.099 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.469 -0.449 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.887 0.988 4.129 1.00 0.00 H new ATOM 551 N GLN A 39 9.297 1.915 2.685 1.00 0.00 N ATOM 552 CA GLN A 39 10.443 2.314 1.895 1.00 0.00 C ATOM 553 C GLN A 39 10.383 1.721 0.509 1.00 0.00 C ATOM 554 O GLN A 39 10.865 0.624 0.243 1.00 0.00 O ATOM 555 CB GLN A 39 11.740 1.895 2.589 1.00 0.00 C ATOM 556 CG GLN A 39 11.854 2.389 4.021 1.00 0.00 C ATOM 557 CD GLN A 39 11.694 3.892 4.132 1.00 0.00 C ATOM 558 OE1 GLN A 39 10.450 4.357 4.164 1.00 0.00 O flip ATOM 559 NE2 GLN A 39 12.680 4.630 4.193 1.00 0.00 N flip ATOM 0 H GLN A 39 9.501 1.825 3.680 1.00 0.00 H new ATOM 0 HA GLN A 39 10.424 3.400 1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.810 0.807 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.587 2.272 2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.095 1.900 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.824 2.099 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.618 4.231 4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.557 5.640 4.271 1.00 0.00 H new ATOM 568 N SER A 40 9.763 2.517 -0.332 1.00 0.00 N ATOM 569 CA SER A 40 9.533 2.247 -1.759 1.00 0.00 C ATOM 570 C SER A 40 9.946 0.850 -2.184 1.00 0.00 C ATOM 571 O SER A 40 9.225 0.181 -2.921 1.00 0.00 O ATOM 572 CB SER A 40 10.276 3.280 -2.610 1.00 0.00 C ATOM 573 OG SER A 40 11.680 3.112 -2.507 1.00 0.00 O ATOM 0 H SER A 40 9.382 3.417 -0.039 1.00 0.00 H new ATOM 0 HA SER A 40 8.457 2.320 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.971 3.184 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.002 4.285 -2.289 1.00 0.00 H new ATOM 0 HG SER A 40 12.131 3.783 -3.061 1.00 0.00 H new ATOM 579 N SER A 41 11.098 0.416 -1.723 1.00 0.00 N ATOM 580 CA SER A 41 11.593 -0.908 -2.059 1.00 0.00 C ATOM 581 C SER A 41 10.507 -1.955 -1.827 1.00 0.00 C ATOM 582 O SER A 41 10.511 -3.019 -2.445 1.00 0.00 O ATOM 583 CB SER A 41 12.835 -1.242 -1.232 1.00 0.00 C ATOM 584 OG SER A 41 13.930 -1.576 -2.068 1.00 0.00 O ATOM 0 H SER A 41 11.712 0.957 -1.114 1.00 0.00 H new ATOM 0 HA SER A 41 11.867 -0.916 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.098 -0.390 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.617 -2.074 -0.563 1.00 0.00 H new ATOM 0 HG SER A 41 14.712 -1.784 -1.515 1.00 0.00 H new ATOM 590 N GLN A 42 9.572 -1.636 -0.936 1.00 0.00 N ATOM 591 CA GLN A 42 8.474 -2.516 -0.615 1.00 0.00 C ATOM 592 C GLN A 42 7.635 -2.823 -1.854 1.00 0.00 C ATOM 593 O GLN A 42 7.069 -3.908 -2.004 1.00 0.00 O ATOM 594 CB GLN A 42 7.625 -1.825 0.434 1.00 0.00 C ATOM 595 CG GLN A 42 8.411 -1.402 1.663 1.00 0.00 C ATOM 596 CD GLN A 42 9.552 -2.344 2.000 1.00 0.00 C ATOM 597 OE1 GLN A 42 9.434 -3.559 1.857 1.00 0.00 O ATOM 598 NE2 GLN A 42 10.670 -1.782 2.448 1.00 0.00 N ATOM 0 H GLN A 42 9.563 -0.756 -0.420 1.00 0.00 H new ATOM 0 HA GLN A 42 8.857 -3.465 -0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.157 -0.946 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.821 -2.495 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.811 -0.401 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.734 -1.342 2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.725 -0.769 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.473 -2.364 2.688 1.00 0.00 H new ATOM 607 N TYR A 43 7.566 -1.839 -2.730 1.00 0.00 N ATOM 608 CA TYR A 43 6.811 -1.946 -3.970 1.00 0.00 C ATOM 609 C TYR A 43 7.644 -1.469 -5.151 1.00 0.00 C ATOM 610 O TYR A 43 8.842 -1.214 -5.030 1.00 0.00 O ATOM 611 CB TYR A 43 5.524 -1.127 -3.869 1.00 0.00 C ATOM 612 CG TYR A 43 5.752 0.286 -3.400 1.00 0.00 C ATOM 613 CD1 TYR A 43 5.981 0.562 -2.060 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.747 1.344 -4.298 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.196 1.854 -1.626 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.966 2.639 -3.872 1.00 0.00 C ATOM 617 CZ TYR A 43 6.190 2.888 -2.537 1.00 0.00 C ATOM 618 OH TYR A 43 6.417 4.175 -2.112 1.00 0.00 O ATOM 0 H TYR A 43 8.032 -0.940 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 43 6.556 -2.994 -4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.038 -1.105 -4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.838 -1.624 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.991 -0.247 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.569 1.152 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.368 2.054 -0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.962 3.452 -4.583 1.00 0.00 H new ATOM 0 HH TYR A 43 6.380 4.784 -2.879 1.00 0.00 H new ATOM 628 N THR A 44 6.984 -1.347 -6.285 1.00 0.00 N ATOM 629 CA THR A 44 7.614 -0.900 -7.510 1.00 0.00 C ATOM 630 C THR A 44 6.972 0.390 -7.970 1.00 0.00 C ATOM 631 O THR A 44 6.084 0.395 -8.824 1.00 0.00 O ATOM 632 CB THR A 44 7.487 -1.966 -8.598 1.00 0.00 C ATOM 633 OG1 THR A 44 7.207 -3.233 -8.031 1.00 0.00 O ATOM 634 CG2 THR A 44 8.731 -2.105 -9.448 1.00 0.00 C ATOM 0 H THR A 44 5.991 -1.556 -6.383 1.00 0.00 H new ATOM 0 HA THR A 44 8.673 -0.728 -7.319 1.00 0.00 H new ATOM 0 HB THR A 44 6.668 -1.631 -9.235 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.428 -3.162 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.573 -2.878 -10.200 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.942 -1.156 -9.941 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.575 -2.381 -8.816 1.00 0.00 H new ATOM 642 N LYS A 45 7.415 1.482 -7.373 1.00 0.00 N ATOM 643 CA LYS A 45 6.889 2.804 -7.694 1.00 0.00 C ATOM 644 C LYS A 45 7.305 3.232 -9.095 1.00 0.00 C ATOM 645 O LYS A 45 8.414 2.949 -9.543 1.00 0.00 O ATOM 646 CB LYS A 45 7.358 3.860 -6.683 1.00 0.00 C ATOM 647 CG LYS A 45 8.306 3.341 -5.610 1.00 0.00 C ATOM 648 CD LYS A 45 9.702 3.105 -6.167 1.00 0.00 C ATOM 649 CE LYS A 45 10.591 4.324 -5.976 1.00 0.00 C ATOM 650 NZ LYS A 45 11.431 4.591 -7.175 1.00 0.00 N ATOM 0 H LYS A 45 8.143 1.482 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 45 5.802 2.732 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.852 4.667 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.483 4.291 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.356 4.057 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.916 2.411 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.152 2.244 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.636 2.864 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.972 5.196 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.234 4.172 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.022 5.429 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.041 3.769 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.818 4.761 -7.998 1.00 0.00 H new ATOM 664 N GLY A 46 6.401 3.927 -9.772 1.00 0.00 N ATOM 665 CA GLY A 46 6.674 4.398 -11.113 1.00 0.00 C ATOM 666 C GLY A 46 5.803 5.582 -11.483 1.00 0.00 C ATOM 667 O GLY A 46 4.785 5.417 -12.158 1.00 0.00 O ATOM 0 H GLY A 46 5.479 4.174 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.724 4.680 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.507 3.588 -11.823 1.00 0.00 H new ATOM 671 N THR A 47 6.205 6.771 -11.030 1.00 0.00 N ATOM 672 CA THR A 47 5.466 8.011 -11.304 1.00 0.00 C ATOM 673 C THR A 47 4.123 7.728 -11.974 1.00 0.00 C ATOM 674 O THR A 47 4.064 7.495 -13.180 1.00 0.00 O ATOM 675 CB THR A 47 6.299 8.939 -12.186 1.00 0.00 C ATOM 676 OG1 THR A 47 7.498 9.313 -11.530 1.00 0.00 O ATOM 677 CG2 THR A 47 5.573 10.207 -12.574 1.00 0.00 C ATOM 0 H THR A 47 7.045 6.904 -10.467 1.00 0.00 H new ATOM 0 HA THR A 47 5.271 8.497 -10.348 1.00 0.00 H new ATOM 0 HB THR A 47 6.506 8.367 -13.091 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.018 9.906 -12.112 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.221 10.820 -13.200 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.669 9.954 -13.127 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.305 10.762 -11.675 1.00 0.00 H new ATOM 685 N ASN A 48 3.058 7.746 -11.177 1.00 0.00 N ATOM 686 CA ASN A 48 1.704 7.488 -11.666 1.00 0.00 C ATOM 687 C ASN A 48 1.343 6.006 -11.546 1.00 0.00 C ATOM 688 O ASN A 48 0.213 5.614 -11.838 1.00 0.00 O ATOM 689 CB ASN A 48 1.541 7.948 -13.120 1.00 0.00 C ATOM 690 CG ASN A 48 2.130 9.324 -13.362 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.382 10.078 -12.423 1.00 0.00 O ATOM 692 ND2 ASN A 48 2.355 9.657 -14.628 1.00 0.00 N ATOM 0 H ASN A 48 3.107 7.939 -10.177 1.00 0.00 H new ATOM 0 HA ASN A 48 1.022 8.063 -11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.023 7.228 -13.782 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.482 7.959 -13.378 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.752 10.569 -14.853 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.131 9.000 -15.376 1.00 0.00 H new ATOM 699 N GLU A 49 2.299 5.188 -11.108 1.00 0.00 N ATOM 700 CA GLU A 49 2.051 3.756 -10.951 1.00 0.00 C ATOM 701 C GLU A 49 2.797 3.186 -9.748 1.00 0.00 C ATOM 702 O GLU A 49 3.826 3.711 -9.332 1.00 0.00 O ATOM 703 CB GLU A 49 2.472 3.003 -12.210 1.00 0.00 C ATOM 704 CG GLU A 49 1.597 3.295 -13.417 1.00 0.00 C ATOM 705 CD GLU A 49 1.064 2.034 -14.070 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.976 0.999 -13.378 1.00 0.00 O ATOM 707 OE2 GLU A 49 0.733 2.083 -15.272 1.00 0.00 O ATOM 0 H GLU A 49 3.241 5.488 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 49 0.981 3.627 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.504 3.261 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.450 1.932 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.760 3.923 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.171 3.864 -14.148 1.00 0.00 H new ATOM 714 N VAL A 50 2.263 2.100 -9.199 1.00 0.00 N ATOM 715 CA VAL A 50 2.870 1.433 -8.045 1.00 0.00 C ATOM 716 C VAL A 50 2.589 -0.062 -8.077 1.00 0.00 C ATOM 717 O VAL A 50 1.444 -0.477 -8.231 1.00 0.00 O ATOM 718 CB VAL A 50 2.350 2.005 -6.710 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.485 2.638 -5.923 1.00 0.00 C ATOM 720 CG2 VAL A 50 1.228 3.007 -6.944 1.00 0.00 C ATOM 0 H VAL A 50 1.407 1.659 -9.534 1.00 0.00 H new ATOM 0 HA VAL A 50 3.943 1.612 -8.110 1.00 0.00 H new ATOM 0 HB VAL A 50 1.944 1.181 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.099 3.036 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.246 1.886 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.925 3.447 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.880 3.394 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.597 3.830 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.402 2.515 -7.458 1.00 0.00 H new ATOM 730 N THR A 51 3.632 -0.878 -7.939 1.00 0.00 N ATOM 731 CA THR A 51 3.455 -2.330 -7.966 1.00 0.00 C ATOM 732 C THR A 51 3.950 -2.998 -6.681 1.00 0.00 C ATOM 733 O THR A 51 5.149 -3.054 -6.420 1.00 0.00 O ATOM 734 CB THR A 51 4.188 -2.924 -9.169 1.00 0.00 C ATOM 735 OG1 THR A 51 3.879 -2.206 -10.350 1.00 0.00 O ATOM 736 CG2 THR A 51 3.855 -4.379 -9.414 1.00 0.00 C ATOM 0 H THR A 51 4.594 -0.566 -7.809 1.00 0.00 H new ATOM 0 HA THR A 51 2.386 -2.524 -8.048 1.00 0.00 H new ATOM 0 HB THR A 51 5.248 -2.847 -8.928 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.359 -2.601 -11.108 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.409 -4.738 -10.282 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.130 -4.968 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.786 -4.481 -9.598 1.00 0.00 H new ATOM 744 N LEU A 52 3.014 -3.525 -5.895 1.00 0.00 N ATOM 745 CA LEU A 52 3.344 -4.206 -4.650 1.00 0.00 C ATOM 746 C LEU A 52 4.059 -5.517 -4.939 1.00 0.00 C ATOM 747 O LEU A 52 3.658 -6.263 -5.835 1.00 0.00 O ATOM 748 CB LEU A 52 2.064 -4.503 -3.871 1.00 0.00 C ATOM 749 CG LEU A 52 1.408 -3.293 -3.224 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.766 -2.403 -4.277 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.380 -3.732 -2.192 1.00 0.00 C ATOM 0 H LEU A 52 2.016 -3.492 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 52 3.996 -3.559 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.346 -4.969 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.291 -5.233 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 52 2.180 -2.715 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.302 -1.543 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.528 -2.059 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.007 -2.968 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.079 -2.853 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.389 -4.334 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.870 -4.324 -1.419 1.00 0.00 H new ATOM 763 N LEU A 53 5.119 -5.800 -4.188 1.00 0.00 N ATOM 764 CA LEU A 53 5.867 -7.029 -4.397 1.00 0.00 C ATOM 765 C LEU A 53 5.658 -8.023 -3.255 1.00 0.00 C ATOM 766 O LEU A 53 6.162 -7.840 -2.148 1.00 0.00 O ATOM 767 CB LEU A 53 7.357 -6.730 -4.569 1.00 0.00 C ATOM 768 CG LEU A 53 7.704 -5.848 -5.768 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.001 -5.093 -5.518 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.812 -6.689 -7.031 1.00 0.00 C ATOM 0 H LEU A 53 5.473 -5.203 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 53 5.488 -7.487 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.722 -6.246 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.893 -7.674 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 53 6.904 -5.120 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.232 -4.470 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.891 -4.463 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.811 -5.804 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.060 -6.046 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.593 -7.438 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.860 -7.186 -7.220 1.00 0.00 H new ATOM 782 N ALA A 54 4.914 -9.086 -3.549 1.00 0.00 N ATOM 783 CA ALA A 54 4.617 -10.134 -2.573 1.00 0.00 C ATOM 784 C ALA A 54 5.781 -10.421 -1.622 1.00 0.00 C ATOM 785 O ALA A 54 5.579 -10.969 -0.541 1.00 0.00 O ATOM 786 CB ALA A 54 4.224 -11.412 -3.300 1.00 0.00 C ATOM 0 H ALA A 54 4.500 -9.246 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 54 3.792 -9.771 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.003 -12.192 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.341 -11.226 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.046 -11.735 -3.939 1.00 0.00 H new ATOM 792 N SER A 55 6.993 -10.058 -2.021 1.00 0.00 N ATOM 793 CA SER A 55 8.169 -10.296 -1.187 1.00 0.00 C ATOM 794 C SER A 55 8.167 -9.383 0.024 1.00 0.00 C ATOM 795 O SER A 55 8.377 -9.829 1.153 1.00 0.00 O ATOM 796 CB SER A 55 9.449 -10.092 -1.996 1.00 0.00 C ATOM 797 OG SER A 55 9.214 -9.274 -3.128 1.00 0.00 O ATOM 0 H SER A 55 7.189 -9.600 -2.911 1.00 0.00 H new ATOM 0 HA SER A 55 8.133 -11.329 -0.840 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.212 -9.635 -1.366 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.838 -11.059 -2.317 1.00 0.00 H new ATOM 0 HG SER A 55 10.049 -9.158 -3.627 1.00 0.00 H new ATOM 803 N TYR A 56 7.920 -8.105 -0.212 1.00 0.00 N ATOM 804 CA TYR A 56 7.874 -7.116 0.831 1.00 0.00 C ATOM 805 C TYR A 56 6.704 -7.391 1.751 1.00 0.00 C ATOM 806 O TYR A 56 6.862 -7.644 2.953 1.00 0.00 O ATOM 807 CB TYR A 56 7.729 -5.750 0.174 1.00 0.00 C ATOM 808 CG TYR A 56 6.723 -4.838 0.835 1.00 0.00 C ATOM 809 CD1 TYR A 56 6.911 -4.383 2.134 1.00 0.00 C ATOM 810 CD2 TYR A 56 5.583 -4.430 0.155 1.00 0.00 C ATOM 811 CE1 TYR A 56 5.991 -3.547 2.733 1.00 0.00 C ATOM 812 CE2 TYR A 56 4.658 -3.597 0.748 1.00 0.00 C ATOM 813 CZ TYR A 56 4.866 -3.159 2.036 1.00 0.00 C ATOM 814 OH TYR A 56 3.948 -2.324 2.629 1.00 0.00 O ATOM 0 H TYR A 56 7.745 -7.730 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 56 8.785 -7.146 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.701 -5.257 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.442 -5.891 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.790 -4.688 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.418 -4.771 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.151 -3.198 3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.776 -3.290 0.205 1.00 0.00 H new ATOM 0 HH TYR A 56 3.049 -2.701 2.527 1.00 0.00 H new ATOM 824 N LEU A 57 5.531 -7.340 1.161 1.00 0.00 N ATOM 825 CA LEU A 57 4.298 -7.581 1.896 1.00 0.00 C ATOM 826 C LEU A 57 4.411 -8.865 2.707 1.00 0.00 C ATOM 827 O LEU A 57 4.061 -8.898 3.889 1.00 0.00 O ATOM 828 CB LEU A 57 3.107 -7.653 0.937 1.00 0.00 C ATOM 829 CG LEU A 57 1.860 -6.879 1.378 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.238 -5.601 2.115 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.986 -6.549 0.175 1.00 0.00 C ATOM 0 H LEU A 57 5.399 -7.133 0.171 1.00 0.00 H new ATOM 0 HA LEU A 57 4.134 -6.750 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.422 -7.276 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.835 -8.700 0.801 1.00 0.00 H new ATOM 0 HG LEU A 57 1.297 -7.514 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.333 -5.073 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.823 -5.851 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.829 -4.963 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.105 -5.999 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.551 -5.939 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.676 -7.473 -0.313 1.00 0.00 H new ATOM 843 N ASN A 58 4.911 -9.915 2.072 1.00 0.00 N ATOM 844 CA ASN A 58 5.085 -11.198 2.739 1.00 0.00 C ATOM 845 C ASN A 58 6.135 -11.100 3.843 1.00 0.00 C ATOM 846 O ASN A 58 6.091 -11.844 4.823 1.00 0.00 O ATOM 847 CB ASN A 58 5.497 -12.272 1.733 1.00 0.00 C ATOM 848 CG ASN A 58 5.770 -13.610 2.393 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.066 -14.015 3.318 1.00 0.00 O ATOM 850 ND2 ASN A 58 6.799 -14.304 1.919 1.00 0.00 N ATOM 0 H ASN A 58 5.204 -9.904 1.095 1.00 0.00 H new ATOM 0 HA ASN A 58 4.130 -11.474 3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.709 -12.391 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.390 -11.944 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.032 -15.211 2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.356 -13.930 1.151 1.00 0.00 H new ATOM 857 N THR A 59 7.086 -10.190 3.663 1.00 0.00 N ATOM 858 CA THR A 59 8.165 -10.006 4.631 1.00 0.00 C ATOM 859 C THR A 59 7.694 -9.246 5.864 1.00 0.00 C ATOM 860 O THR A 59 8.265 -9.393 6.946 1.00 0.00 O ATOM 861 CB THR A 59 9.339 -9.270 3.984 1.00 0.00 C ATOM 862 OG1 THR A 59 9.932 -10.061 2.964 1.00 0.00 O ATOM 863 CG2 THR A 59 10.431 -8.902 4.966 1.00 0.00 C ATOM 0 H THR A 59 7.133 -9.568 2.856 1.00 0.00 H new ATOM 0 HA THR A 59 8.489 -10.996 4.951 1.00 0.00 H new ATOM 0 HB THR A 59 8.911 -8.354 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.240 -10.357 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.233 -8.383 4.441 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.022 -8.251 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.826 -9.807 5.427 1.00 0.00 H new ATOM 871 N LEU A 60 6.661 -8.430 5.702 1.00 0.00 N ATOM 872 CA LEU A 60 6.133 -7.646 6.816 1.00 0.00 C ATOM 873 C LEU A 60 6.044 -8.488 8.090 1.00 0.00 C ATOM 874 O LEU A 60 5.851 -9.702 8.033 1.00 0.00 O ATOM 875 CB LEU A 60 4.757 -7.087 6.455 1.00 0.00 C ATOM 876 CG LEU A 60 4.777 -5.718 5.772 1.00 0.00 C ATOM 877 CD1 LEU A 60 5.014 -4.616 6.792 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.838 -5.665 4.683 1.00 0.00 C ATOM 0 H LEU A 60 6.173 -8.292 4.817 1.00 0.00 H new ATOM 0 HA LEU A 60 6.817 -6.819 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.253 -7.797 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.160 -7.015 7.364 1.00 0.00 H new ATOM 0 HG LEU A 60 3.804 -5.562 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.025 -3.650 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.216 -4.629 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.972 -4.778 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.830 -4.681 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.819 -5.850 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.627 -6.426 3.932 1.00 0.00 H new ATOM 890 N PRO A 61 6.190 -7.846 9.264 1.00 0.00 N ATOM 891 CA PRO A 61 6.132 -8.530 10.560 1.00 0.00 C ATOM 892 C PRO A 61 4.860 -9.351 10.726 1.00 0.00 C ATOM 893 O PRO A 61 4.148 -9.608 9.756 1.00 0.00 O ATOM 894 CB PRO A 61 6.173 -7.389 11.588 1.00 0.00 C ATOM 895 CG PRO A 61 5.920 -6.138 10.809 1.00 0.00 C ATOM 896 CD PRO A 61 6.424 -6.406 9.420 1.00 0.00 C ATOM 0 HA PRO A 61 6.949 -9.242 10.672 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.417 -7.530 12.360 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.139 -7.349 12.091 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.858 -5.893 10.798 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.438 -5.289 11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.883 -5.825 8.674 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.479 -6.154 9.316 1.00 0.00 H new ATOM 904 N GLU A 62 4.582 -9.762 11.960 1.00 0.00 N ATOM 905 CA GLU A 62 3.401 -10.557 12.254 1.00 0.00 C ATOM 906 C GLU A 62 2.127 -9.781 11.979 1.00 0.00 C ATOM 907 O GLU A 62 2.160 -8.721 11.360 1.00 0.00 O ATOM 908 CB GLU A 62 3.436 -11.052 13.704 1.00 0.00 C ATOM 909 CG GLU A 62 2.805 -10.096 14.701 1.00 0.00 C ATOM 910 CD GLU A 62 3.414 -8.709 14.646 1.00 0.00 C ATOM 911 OE1 GLU A 62 4.656 -8.606 14.591 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.646 -7.724 14.655 1.00 0.00 O ATOM 0 H GLU A 62 5.163 -9.555 12.773 1.00 0.00 H new ATOM 0 HA GLU A 62 3.406 -11.423 11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.922 -12.011 13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.473 -11.228 13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.735 -10.027 14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.919 -10.499 15.707 1.00 0.00 H new ATOM 919 N ASN A 63 1.009 -10.342 12.427 1.00 0.00 N ATOM 920 CA ASN A 63 -0.294 -9.754 12.229 1.00 0.00 C ATOM 921 C ASN A 63 -0.237 -8.244 12.364 1.00 0.00 C ATOM 922 O ASN A 63 -0.612 -7.678 13.393 1.00 0.00 O ATOM 923 CB ASN A 63 -1.291 -10.329 13.237 1.00 0.00 C ATOM 924 CG ASN A 63 -2.150 -11.426 12.637 1.00 0.00 C ATOM 925 OD1 ASN A 63 -1.726 -12.133 11.723 1.00 0.00 O ATOM 926 ND2 ASN A 63 -3.365 -11.574 13.152 1.00 0.00 N ATOM 0 H ASN A 63 0.990 -11.223 12.940 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.624 -9.996 11.219 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.749 -10.724 14.096 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.933 -9.529 13.606 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.988 -12.296 12.790 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.676 -10.965 13.909 1.00 0.00 H new ATOM 933 N THR A 64 0.251 -7.599 11.318 1.00 0.00 N ATOM 934 CA THR A 64 0.383 -6.143 11.312 1.00 0.00 C ATOM 935 C THR A 64 -0.447 -5.507 10.211 1.00 0.00 C ATOM 936 O THR A 64 -0.997 -6.193 9.355 1.00 0.00 O ATOM 937 CB THR A 64 1.852 -5.745 11.146 1.00 0.00 C ATOM 938 OG1 THR A 64 2.447 -6.444 10.071 1.00 0.00 O ATOM 939 CG2 THR A 64 2.684 -6.006 12.384 1.00 0.00 C ATOM 0 H THR A 64 0.563 -8.055 10.461 1.00 0.00 H new ATOM 0 HA THR A 64 0.011 -5.777 12.269 1.00 0.00 H new ATOM 0 HB THR A 64 1.839 -4.672 10.954 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.686 -7.349 10.361 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.715 -5.702 12.200 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.281 -5.435 13.220 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.656 -7.069 12.624 1.00 0.00 H new ATOM 947 N THR A 65 -0.537 -4.183 10.254 1.00 0.00 N ATOM 948 CA THR A 65 -1.302 -3.428 9.267 1.00 0.00 C ATOM 949 C THR A 65 -0.397 -2.472 8.498 1.00 0.00 C ATOM 950 O THR A 65 -0.419 -1.263 8.725 1.00 0.00 O ATOM 951 CB THR A 65 -2.406 -2.639 9.952 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.793 -3.260 11.166 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.646 -2.472 9.100 1.00 0.00 C ATOM 0 H THR A 65 -0.087 -3.607 10.966 1.00 0.00 H new ATOM 0 HA THR A 65 -1.743 -4.136 8.566 1.00 0.00 H new ATOM 0 HB THR A 65 -1.980 -1.653 10.135 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.503 -2.734 11.590 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.392 -1.900 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.388 -1.943 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.052 -3.453 8.852 1.00 0.00 H new ATOM 961 N LYS A 66 0.385 -3.026 7.592 1.00 0.00 N ATOM 962 CA LYS A 66 1.299 -2.229 6.779 1.00 0.00 C ATOM 963 C LYS A 66 0.531 -1.302 5.845 1.00 0.00 C ATOM 964 O LYS A 66 -0.009 -1.742 4.837 1.00 0.00 O ATOM 965 CB LYS A 66 2.230 -3.128 5.965 1.00 0.00 C ATOM 966 CG LYS A 66 3.281 -2.355 5.181 1.00 0.00 C ATOM 967 CD LYS A 66 4.066 -1.412 6.081 1.00 0.00 C ATOM 968 CE LYS A 66 5.334 -0.918 5.408 1.00 0.00 C ATOM 969 NZ LYS A 66 6.441 -0.722 6.384 1.00 0.00 N ATOM 0 H LYS A 66 0.410 -4.027 7.396 1.00 0.00 H new ATOM 0 HA LYS A 66 1.900 -1.623 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.729 -3.826 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.635 -3.723 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.965 -3.054 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.798 -1.785 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.441 -0.560 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.322 -1.924 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.644 -1.634 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.130 0.023 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.688 0.287 6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.137 -1.048 7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.272 -1.268 6.080 1.00 0.00 H new ATOM 983 N THR A 67 0.489 -0.027 6.183 1.00 0.00 N ATOM 984 CA THR A 67 -0.217 0.939 5.361 1.00 0.00 C ATOM 985 C THR A 67 0.729 1.684 4.435 1.00 0.00 C ATOM 986 O THR A 67 1.797 2.121 4.849 1.00 0.00 O ATOM 987 CB THR A 67 -0.966 1.937 6.245 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.732 1.261 7.228 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.904 2.836 5.471 1.00 0.00 C ATOM 0 H THR A 67 0.932 0.363 7.015 1.00 0.00 H new ATOM 0 HA THR A 67 -0.930 0.389 4.746 1.00 0.00 H new ATOM 0 HB THR A 67 -0.192 2.554 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.202 1.917 7.784 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.403 3.519 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.336 3.409 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.650 2.229 4.958 1.00 0.00 H new ATOM 997 N LEU A 68 0.329 1.827 3.178 1.00 0.00 N ATOM 998 CA LEU A 68 1.130 2.528 2.197 1.00 0.00 C ATOM 999 C LEU A 68 0.623 3.954 2.034 1.00 0.00 C ATOM 1000 O LEU A 68 -0.215 4.228 1.177 1.00 0.00 O ATOM 1001 CB LEU A 68 1.086 1.804 0.851 1.00 0.00 C ATOM 1002 CG LEU A 68 -0.016 0.763 0.696 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -0.310 0.514 -0.772 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.365 -0.527 1.390 1.00 0.00 C ATOM 0 H LEU A 68 -0.553 1.462 2.817 1.00 0.00 H new ATOM 0 HA LEU A 68 2.162 2.552 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.971 2.548 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.047 1.315 0.691 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.920 1.149 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.099 -0.232 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.633 1.443 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.591 0.152 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.436 -1.256 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.283 -0.918 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.522 -0.336 2.452 1.00 0.00 H new ATOM 1016 N THR A 69 1.127 4.857 2.866 1.00 0.00 N ATOM 1017 CA THR A 69 0.711 6.250 2.813 1.00 0.00 C ATOM 1018 C THR A 69 1.378 6.969 1.645 1.00 0.00 C ATOM 1019 O THR A 69 2.492 7.482 1.776 1.00 0.00 O ATOM 1020 CB THR A 69 1.048 6.960 4.124 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.214 6.500 5.174 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.897 8.467 4.051 1.00 0.00 C ATOM 0 H THR A 69 1.822 4.649 3.583 1.00 0.00 H new ATOM 0 HA THR A 69 -0.369 6.275 2.666 1.00 0.00 H new ATOM 0 HB THR A 69 2.095 6.724 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.302 5.528 5.260 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.152 8.905 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.564 8.863 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.134 8.718 3.800 1.00 0.00 H new ATOM 1030 N PHE A 70 0.691 7.015 0.513 1.00 0.00 N ATOM 1031 CA PHE A 70 1.212 7.682 -0.663 1.00 0.00 C ATOM 1032 C PHE A 70 1.240 9.190 -0.444 1.00 0.00 C ATOM 1033 O PHE A 70 0.215 9.862 -0.573 1.00 0.00 O ATOM 1034 CB PHE A 70 0.341 7.355 -1.877 1.00 0.00 C ATOM 1035 CG PHE A 70 0.453 5.934 -2.361 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.142 4.900 -1.661 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.150 5.640 -3.519 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.049 3.596 -2.112 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.248 4.339 -3.975 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.644 3.315 -3.271 1.00 0.00 C ATOM 0 H PHE A 70 -0.231 6.596 0.388 1.00 0.00 H new ATOM 0 HA PHE A 70 2.228 7.330 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.700 7.559 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.610 8.026 -2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.685 5.113 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.623 6.437 -4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.519 2.798 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.796 4.123 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.714 2.298 -3.627 1.00 0.00 H new ATOM 1050 N ASP A 71 2.411 9.723 -0.112 1.00 0.00 N ATOM 1051 CA ASP A 71 2.546 11.148 0.113 1.00 0.00 C ATOM 1052 C ASP A 71 2.386 11.918 -1.186 1.00 0.00 C ATOM 1053 O ASP A 71 3.315 12.012 -1.989 1.00 0.00 O ATOM 1054 CB ASP A 71 3.897 11.473 0.754 1.00 0.00 C ATOM 1055 CG ASP A 71 4.775 10.256 0.985 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.327 9.331 1.697 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.905 10.228 0.456 1.00 0.00 O ATOM 0 H ASP A 71 3.272 9.189 0.005 1.00 0.00 H new ATOM 0 HA ASP A 71 1.755 11.453 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.430 12.178 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.725 11.972 1.708 1.00 0.00 H new ATOM 1062 N PHE A 72 1.194 12.472 -1.379 1.00 0.00 N ATOM 1063 CA PHE A 72 0.882 13.246 -2.572 1.00 0.00 C ATOM 1064 C PHE A 72 1.157 14.723 -2.326 1.00 0.00 C ATOM 1065 O PHE A 72 0.565 15.595 -2.963 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.581 13.046 -2.964 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.772 12.224 -4.205 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.737 12.820 -5.455 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.986 10.859 -4.121 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.908 12.067 -6.599 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.160 10.102 -5.261 1.00 0.00 C ATOM 1072 CZ PHE A 72 -1.121 10.705 -6.503 1.00 0.00 C ATOM 0 H PHE A 72 0.422 12.397 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 72 1.516 12.899 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.106 12.566 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.044 14.022 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.574 13.885 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.017 10.382 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.875 12.542 -7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.327 9.038 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.257 10.114 -7.397 1.00 0.00 H new ATOM 1082 N GLY A 73 2.048 14.997 -1.382 1.00 0.00 N ATOM 1083 CA GLY A 73 2.384 16.364 -1.055 1.00 0.00 C ATOM 1084 C GLY A 73 1.396 16.989 -0.093 1.00 0.00 C ATOM 1085 O GLY A 73 1.679 18.020 0.512 1.00 0.00 O ATOM 0 H GLY A 73 2.544 14.292 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.382 16.395 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.419 16.955 -1.970 1.00 0.00 H new ATOM 1089 N VAL A 74 0.227 16.368 0.041 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.801 16.875 0.932 1.00 0.00 C ATOM 1091 C VAL A 74 -0.650 16.293 2.336 1.00 0.00 C ATOM 1092 O VAL A 74 -0.600 17.032 3.319 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.214 16.571 0.399 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.435 17.254 -0.938 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.440 15.071 0.281 1.00 0.00 C ATOM 0 H VAL A 74 -0.027 15.515 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.672 17.956 0.979 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.939 16.965 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.438 17.029 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.326 18.332 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.700 16.893 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.445 14.883 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.708 14.646 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.329 14.608 1.262 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.576 14.967 2.425 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.424 14.315 3.715 1.00 0.00 C ATOM 1107 C GLY A 75 -1.705 14.288 4.529 1.00 0.00 C ATOM 1108 O GLY A 75 -2.081 13.252 5.075 1.00 0.00 O ATOM 0 H GLY A 75 -0.619 14.333 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.079 13.293 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.350 14.829 4.285 1.00 0.00 H new ATOM 1112 N THR A 76 -2.363 15.429 4.607 1.00 0.00 N ATOM 1113 CA THR A 76 -3.606 15.562 5.357 1.00 0.00 C ATOM 1114 C THR A 76 -4.512 14.354 5.151 1.00 0.00 C ATOM 1115 O THR A 76 -4.832 13.636 6.099 1.00 0.00 O ATOM 1116 CB THR A 76 -4.342 16.828 4.924 1.00 0.00 C ATOM 1117 OG1 THR A 76 -3.549 17.979 5.167 1.00 0.00 O ATOM 1118 CG2 THR A 76 -5.668 17.024 5.626 1.00 0.00 C ATOM 0 H THR A 76 -2.055 16.290 4.155 1.00 0.00 H new ATOM 0 HA THR A 76 -3.352 15.624 6.415 1.00 0.00 H new ATOM 0 HB THR A 76 -4.533 16.698 3.859 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.037 18.779 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.136 17.942 5.270 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.321 16.178 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.504 17.094 6.701 1.00 0.00 H new ATOM 1126 N LYS A 77 -4.916 14.142 3.909 1.00 0.00 N ATOM 1127 CA LYS A 77 -5.783 13.030 3.570 1.00 0.00 C ATOM 1128 C LYS A 77 -5.204 12.215 2.421 1.00 0.00 C ATOM 1129 O LYS A 77 -5.940 11.612 1.640 1.00 0.00 O ATOM 1130 CB LYS A 77 -7.183 13.530 3.206 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.182 14.867 2.481 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.555 15.518 2.513 1.00 0.00 C ATOM 1133 CE LYS A 77 -8.922 15.974 3.917 1.00 0.00 C ATOM 1134 NZ LYS A 77 -9.606 14.899 4.689 1.00 0.00 N ATOM 0 H LYS A 77 -4.655 14.729 3.117 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.856 12.385 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.674 12.786 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.776 13.620 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.452 15.532 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.871 14.721 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.570 16.372 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.302 14.812 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.020 16.283 4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.571 16.847 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.547 15.228 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.706 14.053 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.042 14.664 5.531 1.00 0.00 H new ATOM 1148 N ASN A 78 -3.877 12.198 2.326 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.196 11.461 1.288 1.00 0.00 C ATOM 1150 C ASN A 78 -3.723 10.031 1.197 1.00 0.00 C ATOM 1151 O ASN A 78 -3.981 9.389 2.216 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.701 11.457 1.584 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.393 11.200 3.047 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -2.291 11.143 3.886 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -0.112 11.041 3.359 1.00 0.00 N ATOM 0 H ASN A 78 -3.256 12.694 2.965 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.381 11.943 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.217 10.693 0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.274 12.416 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.159 10.864 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.601 11.096 2.631 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.896 9.514 -0.024 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.402 8.154 -0.248 1.00 0.00 C ATOM 1164 C PRO A 79 -3.494 7.088 0.356 1.00 0.00 C ATOM 1165 O PRO A 79 -2.570 6.601 -0.289 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.433 8.020 -1.776 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.528 9.092 -2.282 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.618 10.213 -1.286 1.00 0.00 C ATOM 0 HA PRO A 79 -5.373 8.006 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.091 7.034 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.445 8.145 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.504 8.729 -2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.834 9.425 -3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.690 10.783 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.411 10.916 -1.541 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.772 6.729 1.604 1.00 0.00 N ATOM 1177 CA LYS A 80 -2.989 5.715 2.300 1.00 0.00 C ATOM 1178 C LYS A 80 -3.704 4.371 2.267 1.00 0.00 C ATOM 1179 O LYS A 80 -4.887 4.276 2.598 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.743 6.141 3.749 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.978 6.702 4.438 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.712 6.993 5.905 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.646 5.715 6.725 1.00 0.00 C ATOM 1184 NZ LYS A 80 -4.932 5.431 7.417 1.00 0.00 N ATOM 0 H LYS A 80 -4.534 7.125 2.155 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.030 5.612 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.380 5.283 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.954 6.892 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.292 7.617 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.800 5.991 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.774 7.539 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.499 7.638 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.392 4.879 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.848 5.798 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.845 4.551 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.162 6.217 8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.690 5.326 6.712 1.00 0.00 H new ATOM 1198 N LEU A 81 -2.985 3.328 1.859 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.562 1.993 1.776 1.00 0.00 C ATOM 1200 C LEU A 81 -3.113 1.118 2.942 1.00 0.00 C ATOM 1201 O LEU A 81 -2.036 0.529 2.907 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.186 1.324 0.452 1.00 0.00 C ATOM 1203 CG LEU A 81 -4.366 0.873 -0.402 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.892 -0.042 -1.517 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -5.416 0.176 0.446 1.00 0.00 C ATOM 0 H LEU A 81 -2.005 3.383 1.582 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.645 2.102 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.581 2.019 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.560 0.458 0.665 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.822 1.758 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.746 -0.356 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.181 0.491 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.409 -0.919 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.247 -0.136 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.976 -0.699 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.780 0.862 1.211 1.00 0.00 H new ATOM 1217 N THR A 82 -3.948 1.029 3.972 1.00 0.00 N ATOM 1218 CA THR A 82 -3.625 0.217 5.140 1.00 0.00 C ATOM 1219 C THR A 82 -3.760 -1.265 4.828 1.00 0.00 C ATOM 1220 O THR A 82 -4.868 -1.783 4.689 1.00 0.00 O ATOM 1221 CB THR A 82 -4.516 0.590 6.323 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.080 -0.061 7.502 1.00 0.00 O ATOM 1223 CG2 THR A 82 -5.975 0.237 6.119 1.00 0.00 C ATOM 0 H THR A 82 -4.848 1.506 4.022 1.00 0.00 H new ATOM 0 HA THR A 82 -2.588 0.419 5.408 1.00 0.00 H new ATOM 0 HB THR A 82 -4.433 1.673 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.171 0.233 7.721 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.547 0.531 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.358 0.764 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.071 -0.838 5.966 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.623 -1.943 4.724 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.613 -3.374 4.433 1.00 0.00 C ATOM 1233 C ILE A 83 -2.464 -4.189 5.708 1.00 0.00 C ATOM 1234 O ILE A 83 -1.500 -4.024 6.462 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.484 -3.763 3.459 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.708 -3.101 2.096 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.405 -5.280 3.321 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.257 -3.948 0.926 1.00 0.00 C ATOM 0 H ILE A 83 -1.698 -1.528 4.836 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.570 -3.597 3.962 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.534 -3.407 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.768 -2.875 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.175 -2.151 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.603 -5.541 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.203 -5.724 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.352 -5.660 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.447 -3.414 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.190 -4.153 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.808 -4.888 0.924 1.00 0.00 H new ATOM 1250 N THR A 84 -3.421 -5.076 5.933 1.00 0.00 N ATOM 1251 CA THR A 84 -3.407 -5.935 7.106 1.00 0.00 C ATOM 1252 C THR A 84 -2.710 -7.249 6.796 1.00 0.00 C ATOM 1253 O THR A 84 -3.309 -8.157 6.225 1.00 0.00 O ATOM 1254 CB THR A 84 -4.837 -6.200 7.588 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.682 -5.107 7.276 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.929 -6.445 9.077 1.00 0.00 C ATOM 0 H THR A 84 -4.220 -5.220 5.316 1.00 0.00 H new ATOM 0 HA THR A 84 -2.856 -5.427 7.898 1.00 0.00 H new ATOM 0 HB THR A 84 -5.156 -7.104 7.068 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.894 -5.120 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.968 -6.626 9.352 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.327 -7.315 9.341 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.558 -5.571 9.613 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.441 -7.350 7.179 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.685 -8.560 6.936 1.00 0.00 C ATOM 1266 C VAL A 85 -0.943 -9.569 8.036 1.00 0.00 C ATOM 1267 O VAL A 85 -0.615 -9.334 9.209 1.00 0.00 O ATOM 1268 CB VAL A 85 0.817 -8.282 6.802 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.283 -7.302 7.866 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.621 -9.573 6.860 1.00 0.00 C ATOM 0 H VAL A 85 -0.923 -6.611 7.655 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.023 -8.974 5.986 1.00 0.00 H new ATOM 0 HB VAL A 85 0.988 -7.827 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.352 -7.121 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.742 -6.362 7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.091 -7.719 8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.682 -9.345 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.443 -10.070 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.314 -10.229 6.046 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.551 -10.676 7.634 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.900 -11.756 8.548 1.00 0.00 C ATOM 1282 C LEU A 86 -0.947 -12.934 8.395 1.00 0.00 C ATOM 1283 O LEU A 86 -1.313 -13.987 7.879 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.339 -12.216 8.299 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.420 -11.224 8.737 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.603 -11.270 7.783 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.868 -11.521 10.161 1.00 0.00 C ATOM 0 H LEU A 86 -1.817 -10.851 6.665 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.815 -11.375 9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.461 -12.417 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.499 -13.159 8.822 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.998 -10.219 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.362 -10.559 8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.270 -11.010 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.026 -12.274 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.637 -10.807 10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.273 -12.532 10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.016 -11.437 10.835 1.00 0.00 H new