USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 706 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 20 HIS : no HE2:sc= -4.89! C(o=-6.6!,f=-6.4!) USER MOD Set 1.2: A 89 SER OG : rot 44:sc= -1.68! USER MOD Set 2.1: A 76 THR OG1 : rot -147:sc= 1.67 USER MOD Set 2.2: A 85 TYR OH : rot -86:sc= 0.00939 USER MOD Set 3.1: A 70 ASN : amide:sc= -0.472 X(o=-4,f=-3.5) USER MOD Set 3.2: A 73 THR OG1 : rot -14:sc= -3.5! USER MOD Single : A 12 SER OG : rot -25:sc= 0.736 USER MOD Single : A 16 SER OG : rot -152:sc= 0.0583 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -133:sc= -2.46! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 160:sc= -2.48 USER MOD Single : A 45 ASN : amide:sc= -0.349 K(o=-0.35,f=-2.9!) USER MOD Single : A 48 MET CE :methyl -115:sc= -8.45! (180deg=-15.8!) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= -0.241 (180deg=-0.454) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -4.71! C(o=-10!,f=-4.7!) USER MOD Single : A 54 GLN : amide:sc= -2.09! C(o=-2.1!,f=-2.8!) USER MOD Single : A 59 MET CE :methyl -151:sc= -3.8! (180deg=-3.97!) USER MOD Single : A 60 ASN :FLIP amide:sc= -13.5! C(o=-20!,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 66 ASN : amide:sc= 0.777 K(o=0.78,f=-4.5!) USER MOD Single : A 67 THR OG1 : rot 73:sc= 0.271 USER MOD Single : A 68 MET CE :methyl 138:sc= -0.876 (180deg=-1.73!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 90:sc= -3.31! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.63) USER MOD Single : A 87 GLN : amide:sc= -1.73! C(o=-1.7!,f=-5.9!) USER MOD Single : A 90 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.48) USER MOD Single : A 91 HIS : no HD1:sc= -0.692 X(o=-0.69,f=-0.92) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 15:sc= 0.445 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -19.051 9.692 -4.686 1.00 0.00 N ATOM 2 CA SER A 12 -18.760 10.048 -3.272 1.00 0.00 C ATOM 3 C SER A 12 -18.252 8.840 -2.493 1.00 0.00 C ATOM 4 O SER A 12 -18.409 7.698 -2.927 1.00 0.00 O ATOM 5 CB SER A 12 -20.040 10.588 -2.633 1.00 0.00 C ATOM 6 OG SER A 12 -21.190 10.018 -3.234 1.00 0.00 O ATOM 0 HA SER A 12 -17.978 10.807 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 12 -20.037 10.369 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 12 -20.072 11.673 -2.736 1.00 0.00 H new ATOM 0 HG SER A 12 -20.972 9.724 -4.143 1.00 0.00 H new ATOM 11 N GLY A 13 -17.645 9.099 -1.340 1.00 0.00 N ATOM 12 CA GLY A 13 -17.124 8.023 -0.519 1.00 0.00 C ATOM 13 C GLY A 13 -15.757 7.553 -0.975 1.00 0.00 C ATOM 14 O GLY A 13 -15.642 6.814 -1.953 1.00 0.00 O ATOM 0 H GLY A 13 -17.505 10.035 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.063 8.358 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.819 7.184 -0.542 1.00 0.00 H new ATOM 18 N VAL A 14 -14.719 7.982 -0.267 1.00 0.00 N ATOM 19 CA VAL A 14 -13.351 7.601 -0.605 1.00 0.00 C ATOM 20 C VAL A 14 -12.602 6.941 0.562 1.00 0.00 C ATOM 21 O VAL A 14 -11.372 6.970 0.611 1.00 0.00 O ATOM 22 CB VAL A 14 -12.559 8.833 -1.040 1.00 0.00 C ATOM 23 CG1 VAL A 14 -13.112 9.396 -2.340 1.00 0.00 C ATOM 24 CG2 VAL A 14 -12.613 9.863 0.072 1.00 0.00 C ATOM 0 H VAL A 14 -14.798 8.594 0.545 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.430 6.873 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.521 8.558 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.534 10.273 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.044 8.640 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.155 9.680 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.051 10.749 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.650 10.138 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.176 9.443 0.978 1.00 0.00 H new ATOM 34 N PRO A 15 -13.327 6.338 1.509 1.00 0.00 N ATOM 35 CA PRO A 15 -12.738 5.672 2.664 1.00 0.00 C ATOM 36 C PRO A 15 -11.421 4.982 2.329 1.00 0.00 C ATOM 37 O PRO A 15 -10.369 5.338 2.861 1.00 0.00 O ATOM 38 CB PRO A 15 -13.807 4.648 3.034 1.00 0.00 C ATOM 39 CG PRO A 15 -15.100 5.271 2.618 1.00 0.00 C ATOM 40 CD PRO A 15 -14.784 6.259 1.520 1.00 0.00 C ATOM 0 HA PRO A 15 -12.487 6.367 3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.642 3.701 2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.797 4.436 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -15.797 4.512 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -15.575 5.772 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -15.171 5.921 0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -15.233 7.232 1.720 1.00 0.00 H new ATOM 48 N SER A 16 -11.485 3.992 1.445 1.00 0.00 N ATOM 49 CA SER A 16 -10.297 3.250 1.039 1.00 0.00 C ATOM 50 C SER A 16 -9.340 3.070 2.212 1.00 0.00 C ATOM 51 O SER A 16 -8.217 3.574 2.193 1.00 0.00 O ATOM 52 CB SER A 16 -9.587 3.972 -0.109 1.00 0.00 C ATOM 53 OG SER A 16 -10.290 3.807 -1.328 1.00 0.00 O ATOM 0 H SER A 16 -12.348 3.685 0.996 1.00 0.00 H new ATOM 0 HA SER A 16 -10.614 2.264 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.500 5.033 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.574 3.585 -0.215 1.00 0.00 H new ATOM 0 HG SER A 16 -9.662 3.862 -2.078 1.00 0.00 H new ATOM 59 N ARG A 17 -9.792 2.349 3.231 1.00 0.00 N ATOM 60 CA ARG A 17 -8.975 2.101 4.414 1.00 0.00 C ATOM 61 C ARG A 17 -7.827 1.150 4.091 1.00 0.00 C ATOM 62 O ARG A 17 -6.905 0.981 4.891 1.00 0.00 O ATOM 63 CB ARG A 17 -9.833 1.522 5.540 1.00 0.00 C ATOM 64 CG ARG A 17 -9.540 2.129 6.903 1.00 0.00 C ATOM 65 CD ARG A 17 -9.131 1.066 7.909 1.00 0.00 C ATOM 66 NE ARG A 17 -9.284 1.530 9.286 1.00 0.00 N ATOM 67 CZ ARG A 17 -8.748 0.911 10.333 1.00 0.00 C ATOM 68 NH1 ARG A 17 -8.029 -0.189 10.160 1.00 0.00 N ATOM 69 NH2 ARG A 17 -8.932 1.393 11.555 1.00 0.00 N ATOM 0 H ARG A 17 -10.719 1.926 3.263 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.554 3.052 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.885 1.678 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.674 0.445 5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.745 2.869 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.423 2.655 7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.736 0.172 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.093 0.782 7.735 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.832 2.374 9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.886 -0.562 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.619 -0.662 10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.485 2.239 11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.520 0.918 12.358 1.00 0.00 H new ATOM 83 N VAL A 18 -7.889 0.530 2.917 1.00 0.00 N ATOM 84 CA VAL A 18 -6.854 -0.403 2.489 1.00 0.00 C ATOM 85 C VAL A 18 -6.097 0.134 1.279 1.00 0.00 C ATOM 86 O VAL A 18 -6.683 0.761 0.397 1.00 0.00 O ATOM 87 CB VAL A 18 -7.449 -1.780 2.139 1.00 0.00 C ATOM 88 CG1 VAL A 18 -8.416 -1.663 0.971 1.00 0.00 C ATOM 89 CG2 VAL A 18 -6.342 -2.776 1.827 1.00 0.00 C ATOM 0 H VAL A 18 -8.646 0.657 2.245 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.164 -0.516 3.325 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.003 -2.146 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.826 -2.646 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.227 -0.985 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.889 -1.274 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.781 -3.743 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.758 -2.417 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.693 -2.882 2.696 1.00 0.00 H new ATOM 99 N ILE A 19 -4.793 -0.117 1.244 1.00 0.00 N ATOM 100 CA ILE A 19 -3.956 0.342 0.141 1.00 0.00 C ATOM 101 C ILE A 19 -3.157 -0.810 -0.459 1.00 0.00 C ATOM 102 O ILE A 19 -2.701 -1.702 0.256 1.00 0.00 O ATOM 103 CB ILE A 19 -2.981 1.445 0.597 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.712 2.485 1.449 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.326 2.104 -0.608 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.675 3.344 0.660 1.00 0.00 C ATOM 0 H ILE A 19 -4.293 -0.635 1.966 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.626 0.749 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.201 0.989 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.259 1.974 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.977 3.128 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.640 2.881 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.774 1.356 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.094 2.548 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.157 4.058 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.130 3.883 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.433 2.711 0.198 1.00 0.00 H new ATOM 118 N HIS A 20 -2.989 -0.782 -1.776 1.00 0.00 N ATOM 119 CA HIS A 20 -2.243 -1.821 -2.476 1.00 0.00 C ATOM 120 C HIS A 20 -0.929 -1.268 -3.018 1.00 0.00 C ATOM 121 O HIS A 20 -0.793 -0.064 -3.235 1.00 0.00 O ATOM 122 CB HIS A 20 -3.081 -2.401 -3.617 1.00 0.00 C ATOM 123 CG HIS A 20 -2.269 -3.100 -4.663 1.00 0.00 C ATOM 124 ND1 HIS A 20 -2.105 -2.608 -5.941 1.00 0.00 N ATOM 125 CD2 HIS A 20 -1.574 -4.261 -4.616 1.00 0.00 C ATOM 126 CE1 HIS A 20 -1.343 -3.436 -6.635 1.00 0.00 C ATOM 127 NE2 HIS A 20 -1.008 -4.446 -5.854 1.00 0.00 N ATOM 0 H HIS A 20 -3.360 -0.050 -2.381 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.017 -2.617 -1.766 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.806 -3.102 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.647 -1.596 -4.086 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -2.509 -1.741 -6.295 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.482 -4.919 -3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.045 -3.308 -7.665 1.00 0.00 H new ATOM 136 N ILE A 21 0.039 -2.154 -3.231 1.00 0.00 N ATOM 137 CA ILE A 21 1.342 -1.750 -3.742 1.00 0.00 C ATOM 138 C ILE A 21 1.746 -2.580 -4.957 1.00 0.00 C ATOM 139 O ILE A 21 2.100 -3.752 -4.830 1.00 0.00 O ATOM 140 CB ILE A 21 2.432 -1.882 -2.662 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.851 -1.580 -1.280 1.00 0.00 C ATOM 142 CG2 ILE A 21 3.599 -0.955 -2.967 1.00 0.00 C ATOM 143 CD1 ILE A 21 1.058 -0.292 -1.227 1.00 0.00 C ATOM 0 H ILE A 21 -0.055 -3.155 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 21 1.252 -0.704 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 21 2.800 -2.908 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.208 -2.406 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.664 -1.527 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.360 -1.061 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.027 -1.215 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.248 0.077 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.676 -0.141 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.703 0.544 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.224 -0.349 -1.926 1.00 0.00 H new ATOM 155 N ARG A 22 1.695 -1.964 -6.134 1.00 0.00 N ATOM 156 CA ARG A 22 2.062 -2.645 -7.370 1.00 0.00 C ATOM 157 C ARG A 22 3.571 -2.603 -7.579 1.00 0.00 C ATOM 158 O ARG A 22 4.287 -1.916 -6.850 1.00 0.00 O ATOM 159 CB ARG A 22 1.350 -2.005 -8.565 1.00 0.00 C ATOM 160 CG ARG A 22 1.133 -2.961 -9.726 1.00 0.00 C ATOM 161 CD ARG A 22 -0.346 -3.194 -9.987 1.00 0.00 C ATOM 162 NE ARG A 22 -0.609 -3.530 -11.383 1.00 0.00 N ATOM 163 CZ ARG A 22 -0.431 -4.743 -11.894 1.00 0.00 C ATOM 164 NH1 ARG A 22 0.009 -5.730 -11.126 1.00 0.00 N ATOM 165 NH2 ARG A 22 -0.693 -4.971 -13.174 1.00 0.00 N ATOM 0 H ARG A 22 1.403 -0.994 -6.257 1.00 0.00 H new ATOM 0 HA ARG A 22 1.750 -3.686 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.385 -1.619 -8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.934 -1.152 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.603 -2.558 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.620 -3.912 -9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.705 -4.000 -9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.907 -2.299 -9.718 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.948 -2.792 -12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.211 -5.558 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.145 -6.661 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.032 -4.214 -13.768 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.556 -5.903 -13.565 1.00 0.00 H new ATOM 179 N LYS A 23 4.054 -3.342 -8.574 1.00 0.00 N ATOM 180 CA LYS A 23 5.482 -3.381 -8.862 1.00 0.00 C ATOM 181 C LYS A 23 6.284 -3.395 -7.566 1.00 0.00 C ATOM 182 O LYS A 23 7.392 -2.861 -7.501 1.00 0.00 O ATOM 183 CB LYS A 23 5.888 -2.176 -9.712 1.00 0.00 C ATOM 184 CG LYS A 23 4.759 -1.630 -10.572 1.00 0.00 C ATOM 185 CD LYS A 23 5.195 -1.452 -12.017 1.00 0.00 C ATOM 186 CE LYS A 23 4.013 -1.534 -12.970 1.00 0.00 C ATOM 187 NZ LYS A 23 3.574 -0.187 -13.426 1.00 0.00 N ATOM 0 H LYS A 23 3.481 -3.918 -9.190 1.00 0.00 H new ATOM 0 HA LYS A 23 5.695 -4.293 -9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.249 -1.384 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.720 -2.460 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.907 -2.308 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.425 -0.673 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.691 -0.488 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.925 -2.219 -12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.285 -2.139 -13.835 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.183 -2.039 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.766 -0.286 -14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.290 0.383 -12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.358 0.285 -13.920 1.00 0.00 H new ATOM 201 N LEU A 24 5.708 -4.002 -6.534 1.00 0.00 N ATOM 202 CA LEU A 24 6.356 -4.080 -5.231 1.00 0.00 C ATOM 203 C LEU A 24 6.968 -5.456 -4.999 1.00 0.00 C ATOM 204 O LEU A 24 6.254 -6.432 -4.766 1.00 0.00 O ATOM 205 CB LEU A 24 5.342 -3.773 -4.125 1.00 0.00 C ATOM 206 CG LEU A 24 5.752 -4.222 -2.722 1.00 0.00 C ATOM 207 CD1 LEU A 24 5.349 -5.669 -2.483 1.00 0.00 C ATOM 208 CD2 LEU A 24 7.249 -4.043 -2.520 1.00 0.00 C ATOM 0 H LEU A 24 4.792 -4.448 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 24 7.158 -3.342 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.163 -2.698 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.395 -4.250 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 24 5.231 -3.598 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.650 -5.969 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.268 -5.767 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.840 -6.309 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.522 -4.368 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.789 -4.641 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.510 -2.992 -2.645 1.00 0.00 H new ATOM 220 N PRO A 25 8.306 -5.552 -5.048 1.00 0.00 N ATOM 221 CA PRO A 25 9.012 -6.815 -4.828 1.00 0.00 C ATOM 222 C PRO A 25 8.574 -7.482 -3.529 1.00 0.00 C ATOM 223 O PRO A 25 9.232 -7.341 -2.499 1.00 0.00 O ATOM 224 CB PRO A 25 10.481 -6.394 -4.745 1.00 0.00 C ATOM 225 CG PRO A 25 10.552 -5.121 -5.516 1.00 0.00 C ATOM 226 CD PRO A 25 9.231 -4.435 -5.308 1.00 0.00 C ATOM 0 HA PRO A 25 8.814 -7.544 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.794 -6.249 -3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.136 -7.153 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.375 -4.498 -5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.728 -5.315 -6.574 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.267 -3.739 -4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.933 -3.862 -6.186 1.00 0.00 H new ATOM 234 N ILE A 26 7.448 -8.193 -3.584 1.00 0.00 N ATOM 235 CA ILE A 26 6.913 -8.869 -2.403 1.00 0.00 C ATOM 236 C ILE A 26 8.033 -9.372 -1.509 1.00 0.00 C ATOM 237 O ILE A 26 9.154 -9.598 -1.965 1.00 0.00 O ATOM 238 CB ILE A 26 5.997 -10.058 -2.755 1.00 0.00 C ATOM 239 CG1 ILE A 26 5.409 -9.909 -4.157 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.887 -10.181 -1.724 1.00 0.00 C ATOM 241 CD1 ILE A 26 6.323 -10.427 -5.242 1.00 0.00 C ATOM 0 H ILE A 26 6.891 -8.315 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 26 6.318 -8.121 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 26 6.598 -10.967 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.460 -10.443 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.193 -8.857 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.244 -11.023 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.323 -10.343 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.297 -9.265 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.847 -10.292 -6.213 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.264 -9.877 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.519 -11.487 -5.078 1.00 0.00 H new ATOM 253 N ASP A 27 7.726 -9.538 -0.232 1.00 0.00 N ATOM 254 CA ASP A 27 8.711 -10.003 0.726 1.00 0.00 C ATOM 255 C ASP A 27 9.599 -8.846 1.173 1.00 0.00 C ATOM 256 O ASP A 27 10.460 -9.010 2.038 1.00 0.00 O ATOM 257 CB ASP A 27 9.561 -11.115 0.112 1.00 0.00 C ATOM 258 CG ASP A 27 10.262 -11.955 1.164 1.00 0.00 C ATOM 259 OD1 ASP A 27 9.732 -12.059 2.290 1.00 0.00 O ATOM 260 OD2 ASP A 27 11.340 -12.507 0.860 1.00 0.00 O ATOM 0 H ASP A 27 6.803 -9.357 0.163 1.00 0.00 H new ATOM 0 HA ASP A 27 8.191 -10.401 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.927 -11.758 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.305 -10.675 -0.553 1.00 0.00 H new ATOM 265 N VAL A 28 9.374 -7.669 0.586 1.00 0.00 N ATOM 266 CA VAL A 28 10.144 -6.487 0.938 1.00 0.00 C ATOM 267 C VAL A 28 10.063 -6.255 2.443 1.00 0.00 C ATOM 268 O VAL A 28 9.648 -7.146 3.183 1.00 0.00 O ATOM 269 CB VAL A 28 9.643 -5.248 0.159 1.00 0.00 C ATOM 270 CG1 VAL A 28 8.435 -4.613 0.834 1.00 0.00 C ATOM 271 CG2 VAL A 28 10.763 -4.234 -0.030 1.00 0.00 C ATOM 0 H VAL A 28 8.666 -7.515 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 28 11.186 -6.648 0.661 1.00 0.00 H new ATOM 0 HB VAL A 28 9.324 -5.586 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.111 -3.746 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.623 -5.339 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.705 -4.299 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.385 -3.373 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.129 -3.910 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.578 -4.693 -0.589 1.00 0.00 H new ATOM 281 N THR A 29 10.462 -5.080 2.907 1.00 0.00 N ATOM 282 CA THR A 29 10.421 -4.797 4.334 1.00 0.00 C ATOM 283 C THR A 29 9.204 -3.966 4.712 1.00 0.00 C ATOM 284 O THR A 29 8.776 -3.090 3.960 1.00 0.00 O ATOM 285 CB THR A 29 11.693 -4.071 4.806 1.00 0.00 C ATOM 286 OG1 THR A 29 11.783 -2.784 4.182 1.00 0.00 O ATOM 287 CG2 THR A 29 12.934 -4.887 4.479 1.00 0.00 C ATOM 0 H THR A 29 10.813 -4.318 2.327 1.00 0.00 H new ATOM 0 HA THR A 29 10.357 -5.764 4.833 1.00 0.00 H new ATOM 0 HB THR A 29 11.634 -3.946 5.887 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.688 -2.655 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.821 -4.354 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.876 -5.854 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.996 -5.039 3.401 1.00 0.00 H new ATOM 295 N GLU A 30 8.656 -4.246 5.890 1.00 0.00 N ATOM 296 CA GLU A 30 7.491 -3.524 6.383 1.00 0.00 C ATOM 297 C GLU A 30 7.831 -2.055 6.597 1.00 0.00 C ATOM 298 O GLU A 30 7.037 -1.170 6.279 1.00 0.00 O ATOM 299 CB GLU A 30 6.997 -4.145 7.691 1.00 0.00 C ATOM 300 CG GLU A 30 6.295 -5.480 7.502 1.00 0.00 C ATOM 301 CD GLU A 30 6.898 -6.580 8.354 1.00 0.00 C ATOM 302 OE1 GLU A 30 6.511 -6.694 9.537 1.00 0.00 O ATOM 303 OE2 GLU A 30 7.756 -7.327 7.839 1.00 0.00 O ATOM 0 H GLU A 30 9.001 -4.969 6.521 1.00 0.00 H new ATOM 0 HA GLU A 30 6.698 -3.595 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.845 -4.281 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.313 -3.450 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.239 -5.370 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.347 -5.769 6.452 1.00 0.00 H new ATOM 310 N GLY A 31 9.023 -1.804 7.131 1.00 0.00 N ATOM 311 CA GLY A 31 9.453 -0.441 7.368 1.00 0.00 C ATOM 312 C GLY A 31 9.466 0.378 6.096 1.00 0.00 C ATOM 313 O GLY A 31 9.287 1.595 6.129 1.00 0.00 O ATOM 0 H GLY A 31 9.696 -2.520 7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.789 0.028 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.451 -0.447 7.806 1.00 0.00 H new ATOM 317 N GLU A 32 9.671 -0.296 4.967 1.00 0.00 N ATOM 318 CA GLU A 32 9.699 0.371 3.672 1.00 0.00 C ATOM 319 C GLU A 32 8.300 0.837 3.285 1.00 0.00 C ATOM 320 O GLU A 32 8.042 2.036 3.179 1.00 0.00 O ATOM 321 CB GLU A 32 10.257 -0.566 2.600 1.00 0.00 C ATOM 322 CG GLU A 32 11.776 -0.621 2.573 1.00 0.00 C ATOM 323 CD GLU A 32 12.305 -1.711 1.660 1.00 0.00 C ATOM 324 OE1 GLU A 32 11.930 -1.721 0.469 1.00 0.00 O ATOM 325 OE2 GLU A 32 13.093 -2.554 2.139 1.00 0.00 O ATOM 0 H GLU A 32 9.820 -1.304 4.925 1.00 0.00 H new ATOM 0 HA GLU A 32 10.350 1.242 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.868 -1.570 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.896 -0.244 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.165 0.343 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.148 -0.787 3.584 1.00 0.00 H new ATOM 332 N VAL A 33 7.396 -0.119 3.083 1.00 0.00 N ATOM 333 CA VAL A 33 6.021 0.204 2.720 1.00 0.00 C ATOM 334 C VAL A 33 5.406 1.152 3.743 1.00 0.00 C ATOM 335 O VAL A 33 4.732 2.119 3.386 1.00 0.00 O ATOM 336 CB VAL A 33 5.151 -1.063 2.620 1.00 0.00 C ATOM 337 CG1 VAL A 33 3.744 -0.711 2.163 1.00 0.00 C ATOM 338 CG2 VAL A 33 5.787 -2.075 1.680 1.00 0.00 C ATOM 0 H VAL A 33 7.590 -1.117 3.164 1.00 0.00 H new ATOM 0 HA VAL A 33 6.050 0.686 1.743 1.00 0.00 H new ATOM 0 HB VAL A 33 5.084 -1.514 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.145 -1.619 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.289 -0.026 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.788 -0.235 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.158 -2.963 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.888 -1.636 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.772 -2.352 2.056 1.00 0.00 H new ATOM 348 N ILE A 34 5.653 0.873 5.019 1.00 0.00 N ATOM 349 CA ILE A 34 5.138 1.697 6.095 1.00 0.00 C ATOM 350 C ILE A 34 5.844 3.050 6.117 1.00 0.00 C ATOM 351 O ILE A 34 5.206 4.090 6.285 1.00 0.00 O ATOM 352 CB ILE A 34 5.313 0.991 7.455 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.269 -0.115 7.616 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.216 1.987 8.595 1.00 0.00 C ATOM 355 CD1 ILE A 34 4.863 -1.504 7.663 1.00 0.00 C ATOM 0 H ILE A 34 6.210 0.077 5.329 1.00 0.00 H new ATOM 0 HA ILE A 34 4.074 1.857 5.919 1.00 0.00 H new ATOM 0 HB ILE A 34 6.305 0.540 7.484 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.704 0.061 8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.562 -0.059 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.342 1.467 9.544 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.996 2.740 8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.239 2.471 8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.065 -2.237 7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.405 -1.700 6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.549 -1.578 8.507 1.00 0.00 H new ATOM 367 N SER A 35 7.161 3.030 5.937 1.00 0.00 N ATOM 368 CA SER A 35 7.944 4.259 5.928 1.00 0.00 C ATOM 369 C SER A 35 7.194 5.353 5.180 1.00 0.00 C ATOM 370 O SER A 35 7.140 6.500 5.621 1.00 0.00 O ATOM 371 CB SER A 35 9.309 4.022 5.279 1.00 0.00 C ATOM 372 OG SER A 35 9.873 5.237 4.817 1.00 0.00 O ATOM 0 H SER A 35 7.706 2.179 5.796 1.00 0.00 H new ATOM 0 HA SER A 35 8.100 4.576 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.981 3.556 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.203 3.327 4.446 1.00 0.00 H new ATOM 0 HG SER A 35 10.745 5.058 4.408 1.00 0.00 H new ATOM 378 N LEU A 36 6.604 4.981 4.050 1.00 0.00 N ATOM 379 CA LEU A 36 5.840 5.921 3.242 1.00 0.00 C ATOM 380 C LEU A 36 4.516 6.241 3.923 1.00 0.00 C ATOM 381 O LEU A 36 4.047 7.379 3.895 1.00 0.00 O ATOM 382 CB LEU A 36 5.586 5.342 1.849 1.00 0.00 C ATOM 383 CG LEU A 36 6.845 4.993 1.054 1.00 0.00 C ATOM 384 CD1 LEU A 36 6.479 4.300 -0.249 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.668 6.242 0.782 1.00 0.00 C ATOM 0 H LEU A 36 6.641 4.034 3.673 1.00 0.00 H new ATOM 0 HA LEU A 36 6.417 6.840 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.978 4.443 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.000 6.060 1.275 1.00 0.00 H new ATOM 0 HG LEU A 36 7.448 4.308 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.388 4.059 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.933 3.382 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.854 4.961 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.560 5.974 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.073 6.952 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.962 6.697 1.728 1.00 0.00 H new ATOM 397 N GLY A 37 3.922 5.225 4.542 1.00 0.00 N ATOM 398 CA GLY A 37 2.661 5.412 5.232 1.00 0.00 C ATOM 399 C GLY A 37 2.833 6.108 6.568 1.00 0.00 C ATOM 400 O GLY A 37 1.856 6.538 7.182 1.00 0.00 O ATOM 0 H GLY A 37 4.293 4.275 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.989 5.997 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.188 4.443 5.388 1.00 0.00 H new ATOM 404 N LEU A 38 4.080 6.222 7.018 1.00 0.00 N ATOM 405 CA LEU A 38 4.377 6.872 8.289 1.00 0.00 C ATOM 406 C LEU A 38 3.814 8.289 8.317 1.00 0.00 C ATOM 407 O LEU A 38 2.965 8.614 9.147 1.00 0.00 O ATOM 408 CB LEU A 38 5.887 6.906 8.530 1.00 0.00 C ATOM 409 CG LEU A 38 6.375 6.055 9.704 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.762 6.542 11.007 1.00 0.00 C ATOM 411 CD2 LEU A 38 6.043 4.589 9.472 1.00 0.00 C ATOM 0 H LEU A 38 4.899 5.873 6.521 1.00 0.00 H new ATOM 0 HA LEU A 38 3.904 6.295 9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.392 6.571 7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.189 7.939 8.700 1.00 0.00 H new ATOM 0 HG LEU A 38 7.458 6.155 9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.121 5.925 11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.049 7.579 11.179 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.676 6.472 10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.397 3.998 10.316 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.964 4.471 9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.530 4.246 8.559 1.00 0.00 H new ATOM 423 N PRO A 39 4.277 9.149 7.398 1.00 0.00 N ATOM 424 CA PRO A 39 3.813 10.538 7.309 1.00 0.00 C ATOM 425 C PRO A 39 2.347 10.619 6.905 1.00 0.00 C ATOM 426 O PRO A 39 1.677 11.623 7.147 1.00 0.00 O ATOM 427 CB PRO A 39 4.705 11.147 6.223 1.00 0.00 C ATOM 428 CG PRO A 39 5.169 9.986 5.412 1.00 0.00 C ATOM 429 CD PRO A 39 5.282 8.834 6.370 1.00 0.00 C ATOM 0 HA PRO A 39 3.880 11.057 8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.152 11.860 5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.546 11.686 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.463 9.761 4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.129 10.197 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.073 7.882 5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.283 8.761 6.795 1.00 0.00 H new ATOM 437 N PHE A 40 1.856 9.549 6.291 1.00 0.00 N ATOM 438 CA PHE A 40 0.469 9.481 5.851 1.00 0.00 C ATOM 439 C PHE A 40 -0.470 9.385 7.048 1.00 0.00 C ATOM 440 O PHE A 40 -1.617 9.827 6.990 1.00 0.00 O ATOM 441 CB PHE A 40 0.270 8.275 4.933 1.00 0.00 C ATOM 442 CG PHE A 40 1.073 8.353 3.666 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.729 9.523 3.320 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.174 7.258 2.825 1.00 0.00 C ATOM 445 CE1 PHE A 40 2.472 9.598 2.157 1.00 0.00 C ATOM 446 CE2 PHE A 40 1.915 7.326 1.661 1.00 0.00 C ATOM 447 CZ PHE A 40 2.566 8.499 1.326 1.00 0.00 C ATOM 0 H PHE A 40 2.402 8.712 6.086 1.00 0.00 H new ATOM 0 HA PHE A 40 0.236 10.392 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.543 7.368 5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.787 8.190 4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.659 10.386 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.667 6.339 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.979 10.516 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.986 6.464 1.014 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.146 8.556 0.417 1.00 0.00 H new ATOM 457 N GLY A 41 0.031 8.802 8.130 1.00 0.00 N ATOM 458 CA GLY A 41 -0.767 8.652 9.330 1.00 0.00 C ATOM 459 C GLY A 41 -0.248 7.546 10.226 1.00 0.00 C ATOM 460 O GLY A 41 0.706 7.744 10.979 1.00 0.00 O ATOM 0 H GLY A 41 0.978 8.430 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.772 9.592 9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.800 8.439 9.054 1.00 0.00 H new ATOM 464 N LYS A 42 -0.874 6.378 10.143 1.00 0.00 N ATOM 465 CA LYS A 42 -0.464 5.237 10.951 1.00 0.00 C ATOM 466 C LYS A 42 -0.769 3.924 10.240 1.00 0.00 C ATOM 467 O LYS A 42 -1.851 3.746 9.681 1.00 0.00 O ATOM 468 CB LYS A 42 -1.169 5.267 12.309 1.00 0.00 C ATOM 469 CG LYS A 42 -0.415 6.052 13.369 1.00 0.00 C ATOM 470 CD LYS A 42 -1.359 6.879 14.225 1.00 0.00 C ATOM 471 CE LYS A 42 -2.538 6.053 14.713 1.00 0.00 C ATOM 472 NZ LYS A 42 -3.654 6.909 15.200 1.00 0.00 N ATOM 0 H LYS A 42 -1.666 6.197 9.526 1.00 0.00 H new ATOM 0 HA LYS A 42 0.613 5.304 11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.161 5.701 12.184 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.310 4.244 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.145 5.365 14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.312 6.708 12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.817 7.282 15.081 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.723 7.730 13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.895 5.417 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.211 5.392 15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.438 6.307 15.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.321 7.498 15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.984 7.522 14.427 1.00 0.00 H new ATOM 486 N VAL A 43 0.187 3.001 10.273 1.00 0.00 N ATOM 487 CA VAL A 43 0.009 1.701 9.641 1.00 0.00 C ATOM 488 C VAL A 43 -0.674 0.736 10.602 1.00 0.00 C ATOM 489 O VAL A 43 -0.150 0.437 11.675 1.00 0.00 O ATOM 490 CB VAL A 43 1.354 1.103 9.185 1.00 0.00 C ATOM 491 CG1 VAL A 43 1.194 -0.365 8.820 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.915 1.893 8.012 1.00 0.00 C ATOM 0 H VAL A 43 1.090 3.130 10.730 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.617 1.848 8.761 1.00 0.00 H new ATOM 0 HB VAL A 43 2.060 1.170 10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.155 -0.767 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.839 -0.919 9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.473 -0.462 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.865 1.458 7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.211 1.859 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.071 2.929 8.313 1.00 0.00 H new ATOM 502 N THR A 44 -1.855 0.267 10.218 1.00 0.00 N ATOM 503 CA THR A 44 -2.620 -0.647 11.056 1.00 0.00 C ATOM 504 C THR A 44 -2.255 -2.103 10.782 1.00 0.00 C ATOM 505 O THR A 44 -2.682 -3.004 11.504 1.00 0.00 O ATOM 506 CB THR A 44 -4.133 -0.453 10.855 1.00 0.00 C ATOM 507 OG1 THR A 44 -4.629 -1.388 9.890 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.428 0.963 10.399 1.00 0.00 C ATOM 0 H THR A 44 -2.303 0.504 9.333 1.00 0.00 H new ATOM 0 HA THR A 44 -2.364 -0.413 12.089 1.00 0.00 H new ATOM 0 HB THR A 44 -4.633 -0.628 11.808 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.598 -1.485 9.996 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.502 1.084 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.077 1.668 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.917 1.155 9.456 1.00 0.00 H new ATOM 516 N ASN A 45 -1.462 -2.330 9.737 1.00 0.00 N ATOM 517 CA ASN A 45 -1.043 -3.682 9.380 1.00 0.00 C ATOM 518 C ASN A 45 -0.332 -3.703 8.030 1.00 0.00 C ATOM 519 O ASN A 45 -0.398 -2.740 7.266 1.00 0.00 O ATOM 520 CB ASN A 45 -2.252 -4.619 9.345 1.00 0.00 C ATOM 521 CG ASN A 45 -2.026 -5.884 10.151 1.00 0.00 C ATOM 522 OD1 ASN A 45 -0.943 -6.102 10.694 1.00 0.00 O ATOM 523 ND2 ASN A 45 -3.050 -6.725 10.233 1.00 0.00 N ATOM 0 H ASN A 45 -1.099 -1.599 9.126 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.342 -4.026 10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.126 -4.095 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.473 -4.885 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.957 -7.592 10.762 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.930 -6.504 9.767 1.00 0.00 H new ATOM 530 N LEU A 46 0.349 -4.811 7.744 1.00 0.00 N ATOM 531 CA LEU A 46 1.074 -4.967 6.488 1.00 0.00 C ATOM 532 C LEU A 46 0.913 -6.382 5.939 1.00 0.00 C ATOM 533 O LEU A 46 1.386 -7.349 6.538 1.00 0.00 O ATOM 534 CB LEU A 46 2.560 -4.650 6.687 1.00 0.00 C ATOM 535 CG LEU A 46 3.485 -5.138 5.568 1.00 0.00 C ATOM 536 CD1 LEU A 46 3.699 -6.640 5.667 1.00 0.00 C ATOM 537 CD2 LEU A 46 2.915 -4.766 4.208 1.00 0.00 C ATOM 0 H LEU A 46 0.413 -5.615 8.368 1.00 0.00 H new ATOM 0 HA LEU A 46 0.654 -4.266 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.675 -3.571 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.887 -5.094 7.627 1.00 0.00 H new ATOM 0 HG LEU A 46 4.452 -4.648 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.359 -6.967 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.152 -6.880 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.740 -7.151 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.584 -5.120 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.936 -5.228 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.816 -3.683 4.139 1.00 0.00 H new ATOM 549 N LEU A 47 0.241 -6.497 4.798 1.00 0.00 N ATOM 550 CA LEU A 47 0.016 -7.794 4.168 1.00 0.00 C ATOM 551 C LEU A 47 0.570 -7.811 2.746 1.00 0.00 C ATOM 552 O LEU A 47 0.156 -7.018 1.901 1.00 0.00 O ATOM 553 CB LEU A 47 -1.478 -8.123 4.148 1.00 0.00 C ATOM 554 CG LEU A 47 -1.813 -9.612 4.042 1.00 0.00 C ATOM 555 CD1 LEU A 47 -1.771 -10.065 2.591 1.00 0.00 C ATOM 556 CD2 LEU A 47 -0.851 -10.434 4.886 1.00 0.00 C ATOM 0 H LEU A 47 -0.158 -5.707 4.290 1.00 0.00 H new ATOM 0 HA LEU A 47 0.540 -8.550 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.933 -7.728 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.938 -7.602 3.308 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.823 -9.767 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.012 -11.127 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.498 -9.496 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.773 -9.897 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.103 -11.491 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.169 -10.274 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.928 -10.127 5.929 1.00 0.00 H new ATOM 568 N MET A 48 1.505 -8.719 2.490 1.00 0.00 N ATOM 569 CA MET A 48 2.115 -8.836 1.169 1.00 0.00 C ATOM 570 C MET A 48 1.642 -10.102 0.461 1.00 0.00 C ATOM 571 O MET A 48 1.422 -11.134 1.095 1.00 0.00 O ATOM 572 CB MET A 48 3.638 -8.843 1.286 1.00 0.00 C ATOM 573 CG MET A 48 4.246 -7.454 1.393 1.00 0.00 C ATOM 574 SD MET A 48 5.346 -7.286 2.811 1.00 0.00 S ATOM 575 CE MET A 48 6.945 -7.364 2.011 1.00 0.00 C ATOM 0 H MET A 48 1.857 -9.384 3.178 1.00 0.00 H new ATOM 0 HA MET A 48 1.807 -7.974 0.577 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.924 -9.424 2.163 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.059 -9.349 0.417 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.799 -7.232 0.480 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.447 -6.716 1.468 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.472 -8.260 2.338 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.810 -7.396 0.930 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.528 -6.483 2.277 1.00 0.00 H new ATOM 585 N LEU A 49 1.492 -10.016 -0.857 1.00 0.00 N ATOM 586 CA LEU A 49 1.048 -11.156 -1.653 1.00 0.00 C ATOM 587 C LEU A 49 2.126 -11.575 -2.647 1.00 0.00 C ATOM 588 O LEU A 49 2.313 -10.934 -3.682 1.00 0.00 O ATOM 589 CB LEU A 49 -0.245 -10.817 -2.396 1.00 0.00 C ATOM 590 CG LEU A 49 -1.216 -9.919 -1.627 1.00 0.00 C ATOM 591 CD1 LEU A 49 -2.610 -10.001 -2.230 1.00 0.00 C ATOM 592 CD2 LEU A 49 -1.244 -10.305 -0.157 1.00 0.00 C ATOM 0 H LEU A 49 1.671 -9.169 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 49 0.859 -11.989 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.011 -10.328 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.756 -11.746 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.870 -8.888 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.287 -9.356 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.576 -9.676 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.967 -11.030 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.939 -9.657 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.566 -11.342 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.246 -10.194 0.267 1.00 0.00 H new ATOM 604 N LYS A 50 2.831 -12.654 -2.325 1.00 0.00 N ATOM 605 CA LYS A 50 3.892 -13.160 -3.189 1.00 0.00 C ATOM 606 C LYS A 50 3.312 -13.819 -4.436 1.00 0.00 C ATOM 607 O LYS A 50 2.340 -14.570 -4.358 1.00 0.00 O ATOM 608 CB LYS A 50 4.761 -14.163 -2.428 1.00 0.00 C ATOM 609 CG LYS A 50 5.088 -13.733 -1.007 1.00 0.00 C ATOM 610 CD LYS A 50 6.526 -13.252 -0.887 1.00 0.00 C ATOM 611 CE LYS A 50 6.795 -12.638 0.477 1.00 0.00 C ATOM 612 NZ LYS A 50 5.808 -13.091 1.495 1.00 0.00 N ATOM 0 H LYS A 50 2.687 -13.195 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 50 4.507 -12.315 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.249 -15.125 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.691 -14.314 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.410 -12.936 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.925 -14.568 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.206 -14.088 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.731 -12.517 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.801 -12.904 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.763 -11.551 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.103 -12.760 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.871 -12.700 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.759 -14.130 1.493 1.00 0.00 H new ATOM 626 N GLY A 51 3.916 -13.533 -5.586 1.00 0.00 N ATOM 627 CA GLY A 51 3.445 -14.108 -6.832 1.00 0.00 C ATOM 628 C GLY A 51 3.117 -13.057 -7.874 1.00 0.00 C ATOM 629 O GLY A 51 3.914 -12.798 -8.776 1.00 0.00 O ATOM 0 H GLY A 51 4.722 -12.914 -5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.206 -14.781 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.557 -14.710 -6.637 1.00 0.00 H new ATOM 633 N LYS A 52 1.940 -12.451 -7.752 1.00 0.00 N ATOM 634 CA LYS A 52 1.506 -11.424 -8.694 1.00 0.00 C ATOM 635 C LYS A 52 2.077 -10.060 -8.320 1.00 0.00 C ATOM 636 O LYS A 52 1.707 -9.041 -8.904 1.00 0.00 O ATOM 637 CB LYS A 52 -0.021 -11.355 -8.735 1.00 0.00 C ATOM 638 CG LYS A 52 -0.661 -11.226 -7.362 1.00 0.00 C ATOM 639 CD LYS A 52 -1.549 -12.419 -7.048 1.00 0.00 C ATOM 640 CE LYS A 52 -3.020 -12.036 -7.064 1.00 0.00 C ATOM 641 NZ LYS A 52 -3.851 -13.058 -7.758 1.00 0.00 N ATOM 0 H LYS A 52 1.270 -12.653 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 52 1.880 -11.694 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.322 -10.505 -9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.404 -12.251 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.117 -11.140 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.251 -10.310 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.370 -13.210 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.287 -12.822 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.375 -11.913 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.139 -11.073 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.847 -12.760 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.529 -13.157 -8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.757 -13.971 -7.270 1.00 0.00 H new ATOM 655 N ASN A 53 2.980 -10.045 -7.344 1.00 0.00 N ATOM 656 CA ASN A 53 3.600 -8.803 -6.898 1.00 0.00 C ATOM 657 C ASN A 53 2.548 -7.795 -6.452 1.00 0.00 C ATOM 658 O ASN A 53 2.138 -6.930 -7.227 1.00 0.00 O ATOM 659 CB ASN A 53 4.448 -8.198 -8.016 1.00 0.00 C ATOM 660 CG ASN A 53 5.932 -8.359 -7.766 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.356 -8.092 -6.536 1.00 0.00 O flip ATOM 662 ND2 ASN A 53 6.691 -8.719 -8.666 1.00 0.00 N flip ATOM 0 H ASN A 53 3.298 -10.878 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 53 4.240 -9.038 -6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.188 -8.672 -8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.212 -7.139 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.322 -8.914 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.689 -8.823 -8.481 1.00 0.00 H new ATOM 669 N GLN A 54 2.114 -7.908 -5.201 1.00 0.00 N ATOM 670 CA GLN A 54 1.111 -6.997 -4.665 1.00 0.00 C ATOM 671 C GLN A 54 1.144 -6.978 -3.142 1.00 0.00 C ATOM 672 O GLN A 54 0.995 -8.013 -2.493 1.00 0.00 O ATOM 673 CB GLN A 54 -0.284 -7.396 -5.152 1.00 0.00 C ATOM 674 CG GLN A 54 -0.349 -7.681 -6.644 1.00 0.00 C ATOM 675 CD GLN A 54 -1.762 -7.958 -7.122 1.00 0.00 C ATOM 676 OE1 GLN A 54 -2.541 -8.624 -6.441 1.00 0.00 O ATOM 677 NE2 GLN A 54 -2.098 -7.446 -8.301 1.00 0.00 N ATOM 0 H GLN A 54 2.439 -8.617 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 54 1.342 -5.994 -5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.611 -8.282 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.986 -6.597 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.056 -6.830 -7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.284 -8.538 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.420 -6.900 -8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.034 -7.599 -8.675 1.00 0.00 H new ATOM 686 N ALA A 55 1.328 -5.790 -2.578 1.00 0.00 N ATOM 687 CA ALA A 55 1.370 -5.628 -1.131 1.00 0.00 C ATOM 688 C ALA A 55 0.127 -4.898 -0.639 1.00 0.00 C ATOM 689 O ALA A 55 -0.653 -4.378 -1.437 1.00 0.00 O ATOM 690 CB ALA A 55 2.626 -4.879 -0.715 1.00 0.00 C ATOM 0 H ALA A 55 1.451 -4.924 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 55 1.392 -6.618 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.641 -4.767 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.506 -5.438 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.634 -3.894 -1.182 1.00 0.00 H new ATOM 696 N PHE A 56 -0.058 -4.864 0.675 1.00 0.00 N ATOM 697 CA PHE A 56 -1.215 -4.199 1.256 1.00 0.00 C ATOM 698 C PHE A 56 -0.887 -3.604 2.620 1.00 0.00 C ATOM 699 O PHE A 56 -0.139 -4.188 3.403 1.00 0.00 O ATOM 700 CB PHE A 56 -2.378 -5.184 1.385 1.00 0.00 C ATOM 701 CG PHE A 56 -2.896 -5.672 0.062 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.151 -6.550 -0.710 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.130 -5.251 -0.409 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.627 -6.998 -1.926 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.610 -5.697 -1.626 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.858 -6.571 -2.385 1.00 0.00 C ATOM 0 H PHE A 56 0.575 -5.287 1.354 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.501 -3.384 0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.056 -6.040 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.191 -4.705 1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.188 -6.887 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.722 -4.567 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.037 -7.682 -2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.573 -5.362 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.231 -6.920 -3.336 1.00 0.00 H new ATOM 716 N ILE A 57 -1.465 -2.443 2.899 1.00 0.00 N ATOM 717 CA ILE A 57 -1.254 -1.765 4.171 1.00 0.00 C ATOM 718 C ILE A 57 -2.527 -1.061 4.617 1.00 0.00 C ATOM 719 O ILE A 57 -3.099 -0.261 3.877 1.00 0.00 O ATOM 720 CB ILE A 57 -0.107 -0.741 4.092 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.439 0.361 3.084 1.00 0.00 C ATOM 722 CG2 ILE A 57 1.193 -1.435 3.720 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.413 1.752 3.681 1.00 0.00 C ATOM 0 H ILE A 57 -2.086 -1.949 2.258 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.981 -2.529 4.899 1.00 0.00 H new ATOM 0 HB ILE A 57 0.016 -0.280 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.272 0.315 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.427 0.173 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.996 -0.700 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.435 -2.183 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.082 -1.921 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.657 2.483 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.144 1.816 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.581 1.960 4.076 1.00 0.00 H new ATOM 735 N GLU A 58 -2.972 -1.372 5.826 1.00 0.00 N ATOM 736 CA GLU A 58 -4.186 -0.777 6.365 1.00 0.00 C ATOM 737 C GLU A 58 -3.872 0.458 7.201 1.00 0.00 C ATOM 738 O GLU A 58 -3.057 0.407 8.121 1.00 0.00 O ATOM 739 CB GLU A 58 -4.945 -1.798 7.214 1.00 0.00 C ATOM 740 CG GLU A 58 -5.587 -2.910 6.400 1.00 0.00 C ATOM 741 CD GLU A 58 -6.563 -3.738 7.212 1.00 0.00 C ATOM 742 OE1 GLU A 58 -7.553 -3.164 7.716 1.00 0.00 O ATOM 743 OE2 GLU A 58 -6.339 -4.959 7.346 1.00 0.00 O ATOM 0 H GLU A 58 -2.511 -2.032 6.452 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.809 -0.472 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.259 -2.238 7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.719 -1.282 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.107 -2.476 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.808 -3.560 6.002 1.00 0.00 H new ATOM 750 N MET A 59 -4.532 1.564 6.877 1.00 0.00 N ATOM 751 CA MET A 59 -4.335 2.812 7.602 1.00 0.00 C ATOM 752 C MET A 59 -5.462 3.019 8.608 1.00 0.00 C ATOM 753 O MET A 59 -6.601 2.620 8.364 1.00 0.00 O ATOM 754 CB MET A 59 -4.272 3.991 6.629 1.00 0.00 C ATOM 755 CG MET A 59 -3.558 3.665 5.327 1.00 0.00 C ATOM 756 SD MET A 59 -2.336 4.910 4.872 1.00 0.00 S ATOM 757 CE MET A 59 -1.271 4.889 6.312 1.00 0.00 C ATOM 0 H MET A 59 -5.209 1.621 6.116 1.00 0.00 H new ATOM 0 HA MET A 59 -3.389 2.756 8.140 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.286 4.322 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.764 4.825 7.114 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.067 2.697 5.420 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.293 3.574 4.527 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.819 5.872 6.445 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.858 4.638 7.195 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.487 4.145 6.174 1.00 0.00 H new ATOM 767 N ASN A 60 -5.142 3.633 9.739 1.00 0.00 N ATOM 768 CA ASN A 60 -6.141 3.873 10.774 1.00 0.00 C ATOM 769 C ASN A 60 -6.844 5.205 10.545 1.00 0.00 C ATOM 770 O ASN A 60 -7.826 5.521 11.216 1.00 0.00 O ATOM 771 CB ASN A 60 -5.506 3.873 12.169 1.00 0.00 C ATOM 772 CG ASN A 60 -4.260 3.022 12.254 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.155 3.548 11.744 1.00 0.00 O flip ATOM 774 ND2 ASN A 60 -4.287 1.908 12.778 1.00 0.00 N flip ATOM 0 H ASN A 60 -4.206 3.972 9.963 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.869 3.063 10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.259 4.897 12.449 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.236 3.512 12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.161 1.544 13.157 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.435 1.349 12.833 1.00 0.00 H new ATOM 781 N THR A 61 -6.329 5.991 9.604 1.00 0.00 N ATOM 782 CA THR A 61 -6.908 7.293 9.310 1.00 0.00 C ATOM 783 C THR A 61 -7.409 7.377 7.878 1.00 0.00 C ATOM 784 O THR A 61 -7.003 6.599 7.015 1.00 0.00 O ATOM 785 CB THR A 61 -5.888 8.417 9.542 1.00 0.00 C ATOM 786 OG1 THR A 61 -4.565 7.874 9.625 1.00 0.00 O ATOM 787 CG2 THR A 61 -6.215 9.166 10.817 1.00 0.00 C ATOM 0 H THR A 61 -5.517 5.749 9.036 1.00 0.00 H new ATOM 0 HA THR A 61 -7.752 7.417 9.989 1.00 0.00 H new ATOM 0 HB THR A 61 -5.937 9.109 8.701 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.922 8.599 9.771 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.484 9.960 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.212 9.600 10.739 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.185 8.477 11.661 1.00 0.00 H new ATOM 795 N GLU A 62 -8.291 8.339 7.632 1.00 0.00 N ATOM 796 CA GLU A 62 -8.843 8.537 6.303 1.00 0.00 C ATOM 797 C GLU A 62 -7.867 9.322 5.437 1.00 0.00 C ATOM 798 O GLU A 62 -7.716 9.047 4.246 1.00 0.00 O ATOM 799 CB GLU A 62 -10.185 9.269 6.383 1.00 0.00 C ATOM 800 CG GLU A 62 -11.353 8.359 6.725 1.00 0.00 C ATOM 801 CD GLU A 62 -11.348 7.924 8.177 1.00 0.00 C ATOM 802 OE1 GLU A 62 -11.336 8.807 9.061 1.00 0.00 O ATOM 803 OE2 GLU A 62 -11.356 6.701 8.430 1.00 0.00 O ATOM 0 H GLU A 62 -8.637 8.991 8.336 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.007 7.560 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.116 10.056 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.382 9.756 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.287 8.876 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.321 7.477 6.085 1.00 0.00 H new ATOM 810 N GLU A 63 -7.196 10.291 6.050 1.00 0.00 N ATOM 811 CA GLU A 63 -6.220 11.107 5.341 1.00 0.00 C ATOM 812 C GLU A 63 -4.980 10.281 5.024 1.00 0.00 C ATOM 813 O GLU A 63 -4.230 10.591 4.099 1.00 0.00 O ATOM 814 CB GLU A 63 -5.838 12.329 6.178 1.00 0.00 C ATOM 815 CG GLU A 63 -4.714 13.154 5.573 1.00 0.00 C ATOM 816 CD GLU A 63 -5.202 14.466 4.991 1.00 0.00 C ATOM 817 OE1 GLU A 63 -5.912 15.205 5.706 1.00 0.00 O ATOM 818 OE2 GLU A 63 -4.875 14.754 3.821 1.00 0.00 O ATOM 0 H GLU A 63 -7.311 10.530 7.035 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.665 11.450 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.716 12.963 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.540 11.999 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.965 13.357 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.223 12.574 4.791 1.00 0.00 H new ATOM 825 N ALA A 64 -4.780 9.220 5.801 1.00 0.00 N ATOM 826 CA ALA A 64 -3.641 8.333 5.610 1.00 0.00 C ATOM 827 C ALA A 64 -3.844 7.453 4.384 1.00 0.00 C ATOM 828 O ALA A 64 -2.928 7.257 3.585 1.00 0.00 O ATOM 829 CB ALA A 64 -3.430 7.476 6.850 1.00 0.00 C ATOM 0 H ALA A 64 -5.395 8.955 6.570 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.751 8.942 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.576 6.817 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.241 8.120 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.322 6.877 7.034 1.00 0.00 H new ATOM 835 N ALA A 65 -5.056 6.927 4.241 1.00 0.00 N ATOM 836 CA ALA A 65 -5.393 6.067 3.113 1.00 0.00 C ATOM 837 C ALA A 65 -5.341 6.837 1.797 1.00 0.00 C ATOM 838 O ALA A 65 -4.503 6.564 0.937 1.00 0.00 O ATOM 839 CB ALA A 65 -6.772 5.457 3.315 1.00 0.00 C ATOM 0 H ALA A 65 -5.823 7.082 4.895 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.654 5.267 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.014 4.816 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.777 4.865 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.514 6.252 3.393 1.00 0.00 H new ATOM 845 N ASN A 66 -6.247 7.798 1.645 1.00 0.00 N ATOM 846 CA ASN A 66 -6.311 8.607 0.433 1.00 0.00 C ATOM 847 C ASN A 66 -4.950 9.213 0.102 1.00 0.00 C ATOM 848 O ASN A 66 -4.366 8.919 -0.941 1.00 0.00 O ATOM 849 CB ASN A 66 -7.350 9.719 0.592 1.00 0.00 C ATOM 850 CG ASN A 66 -8.767 9.221 0.382 1.00 0.00 C ATOM 851 OD1 ASN A 66 -9.346 9.395 -0.690 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.331 8.596 1.409 1.00 0.00 N ATOM 0 H ASN A 66 -6.948 8.036 2.347 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.605 7.955 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.264 10.153 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.138 10.515 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.282 8.237 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.813 8.475 2.279 1.00 0.00 H new ATOM 859 N THR A 67 -4.454 10.066 0.993 1.00 0.00 N ATOM 860 CA THR A 67 -3.166 10.717 0.792 1.00 0.00 C ATOM 861 C THR A 67 -2.139 9.750 0.213 1.00 0.00 C ATOM 862 O THR A 67 -1.440 10.074 -0.747 1.00 0.00 O ATOM 863 CB THR A 67 -2.617 11.298 2.108 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.495 12.316 2.601 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.224 11.878 1.903 1.00 0.00 C ATOM 0 H THR A 67 -4.925 10.322 1.861 1.00 0.00 H new ATOM 0 HA THR A 67 -3.335 11.529 0.085 1.00 0.00 H new ATOM 0 HB THR A 67 -2.555 10.490 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.311 11.902 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.856 12.283 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.551 11.094 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.267 12.673 1.159 1.00 0.00 H new ATOM 873 N MET A 68 -2.050 8.565 0.805 1.00 0.00 N ATOM 874 CA MET A 68 -1.103 7.553 0.349 1.00 0.00 C ATOM 875 C MET A 68 -1.144 7.408 -1.169 1.00 0.00 C ATOM 876 O MET A 68 -0.167 7.707 -1.858 1.00 0.00 O ATOM 877 CB MET A 68 -1.408 6.208 1.011 1.00 0.00 C ATOM 878 CG MET A 68 -0.462 5.095 0.589 1.00 0.00 C ATOM 879 SD MET A 68 0.156 4.142 1.989 1.00 0.00 S ATOM 880 CE MET A 68 1.841 3.830 1.469 1.00 0.00 C ATOM 0 H MET A 68 -2.621 8.281 1.601 1.00 0.00 H new ATOM 0 HA MET A 68 -0.101 7.874 0.635 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.358 6.325 2.094 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.430 5.916 0.769 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.978 4.427 -0.101 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.380 5.525 0.047 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.514 3.962 2.316 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.924 2.809 1.096 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.113 4.528 0.677 1.00 0.00 H new ATOM 890 N VAL A 69 -2.277 6.946 -1.685 1.00 0.00 N ATOM 891 CA VAL A 69 -2.442 6.759 -3.122 1.00 0.00 C ATOM 892 C VAL A 69 -2.474 8.097 -3.853 1.00 0.00 C ATOM 893 O VAL A 69 -1.700 8.326 -4.783 1.00 0.00 O ATOM 894 CB VAL A 69 -3.732 5.983 -3.443 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.995 5.976 -4.940 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.650 4.563 -2.902 1.00 0.00 C ATOM 0 H VAL A 69 -3.095 6.694 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.583 6.182 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.566 6.486 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.911 5.423 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.103 7.001 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.160 5.500 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.571 4.030 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.805 4.048 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.515 4.593 -1.821 1.00 0.00 H new ATOM 906 N ASN A 70 -3.376 8.975 -3.430 1.00 0.00 N ATOM 907 CA ASN A 70 -3.514 10.291 -4.046 1.00 0.00 C ATOM 908 C ASN A 70 -2.153 10.955 -4.232 1.00 0.00 C ATOM 909 O ASN A 70 -1.738 11.238 -5.355 1.00 0.00 O ATOM 910 CB ASN A 70 -4.417 11.183 -3.195 1.00 0.00 C ATOM 911 CG ASN A 70 -4.834 12.447 -3.922 1.00 0.00 C ATOM 912 OD1 ASN A 70 -4.744 13.548 -3.381 1.00 0.00 O ATOM 913 ND2 ASN A 70 -5.293 12.293 -5.159 1.00 0.00 N ATOM 0 H ASN A 70 -4.024 8.800 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.967 10.157 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.307 10.624 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.896 11.451 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.588 13.107 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.351 11.361 -5.569 1.00 0.00 H new ATOM 920 N TYR A 71 -1.465 11.205 -3.123 1.00 0.00 N ATOM 921 CA TYR A 71 -0.154 11.841 -3.163 1.00 0.00 C ATOM 922 C TYR A 71 0.710 11.252 -4.274 1.00 0.00 C ATOM 923 O TYR A 71 1.310 11.984 -5.061 1.00 0.00 O ATOM 924 CB TYR A 71 0.554 11.683 -1.816 1.00 0.00 C ATOM 925 CG TYR A 71 2.034 11.992 -1.868 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.513 13.063 -2.612 1.00 0.00 C ATOM 927 CD2 TYR A 71 2.950 11.212 -1.174 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.865 13.347 -2.663 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.303 11.491 -1.220 1.00 0.00 C ATOM 930 CZ TYR A 71 4.755 12.558 -1.965 1.00 0.00 C ATOM 931 OH TYR A 71 6.102 12.838 -2.013 1.00 0.00 O ATOM 0 H TYR A 71 -1.794 10.977 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.303 12.901 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.080 12.340 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.417 10.662 -1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.818 13.683 -3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.600 10.374 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.222 14.183 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.003 10.875 -0.674 1.00 0.00 H new ATOM 0 HH TYR A 71 6.591 12.188 -1.466 1.00 0.00 H new ATOM 941 N TYR A 72 0.774 9.925 -4.329 1.00 0.00 N ATOM 942 CA TYR A 72 1.572 9.241 -5.342 1.00 0.00 C ATOM 943 C TYR A 72 0.831 9.171 -6.676 1.00 0.00 C ATOM 944 O TYR A 72 1.286 8.517 -7.613 1.00 0.00 O ATOM 945 CB TYR A 72 1.930 7.831 -4.870 1.00 0.00 C ATOM 946 CG TYR A 72 2.852 7.810 -3.673 1.00 0.00 C ATOM 947 CD1 TYR A 72 4.077 8.466 -3.704 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.499 7.134 -2.513 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.923 8.449 -2.611 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.340 7.113 -1.415 1.00 0.00 C ATOM 951 CZ TYR A 72 4.549 7.772 -1.470 1.00 0.00 C ATOM 952 OH TYR A 72 5.389 7.752 -0.380 1.00 0.00 O ATOM 0 H TYR A 72 0.284 9.303 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 72 2.487 9.814 -5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.013 7.296 -4.621 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.402 7.291 -5.691 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.373 8.998 -4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.552 6.616 -2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.872 8.963 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.051 6.583 -0.520 1.00 0.00 H new ATOM 0 HH TYR A 72 5.188 8.514 0.202 1.00 0.00 H new ATOM 962 N THR A 73 -0.309 9.850 -6.755 1.00 0.00 N ATOM 963 CA THR A 73 -1.104 9.861 -7.979 1.00 0.00 C ATOM 964 C THR A 73 -0.234 10.176 -9.192 1.00 0.00 C ATOM 965 O THR A 73 -0.489 9.690 -10.294 1.00 0.00 O ATOM 966 CB THR A 73 -2.247 10.889 -7.899 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.238 10.450 -6.962 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.890 11.091 -9.263 1.00 0.00 C ATOM 0 H THR A 73 -0.702 10.398 -5.990 1.00 0.00 H new ATOM 0 HA THR A 73 -1.532 8.865 -8.089 1.00 0.00 H new ATOM 0 HB THR A 73 -1.827 11.839 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.091 9.505 -6.749 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.695 11.822 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.142 11.453 -9.968 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.295 10.143 -9.618 1.00 0.00 H new ATOM 976 N SER A 74 0.793 10.992 -8.980 1.00 0.00 N ATOM 977 CA SER A 74 1.703 11.372 -10.055 1.00 0.00 C ATOM 978 C SER A 74 3.108 10.844 -9.789 1.00 0.00 C ATOM 979 O SER A 74 3.681 10.128 -10.611 1.00 0.00 O ATOM 980 CB SER A 74 1.740 12.893 -10.206 1.00 0.00 C ATOM 981 OG SER A 74 0.432 13.428 -10.318 1.00 0.00 O ATOM 0 H SER A 74 1.016 11.403 -8.074 1.00 0.00 H new ATOM 0 HA SER A 74 1.336 10.930 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.244 13.334 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.322 13.160 -11.088 1.00 0.00 H new ATOM 0 HG SER A 74 0.484 14.402 -10.412 1.00 0.00 H new ATOM 987 N VAL A 75 3.658 11.203 -8.634 1.00 0.00 N ATOM 988 CA VAL A 75 4.996 10.767 -8.254 1.00 0.00 C ATOM 989 C VAL A 75 4.974 9.353 -7.686 1.00 0.00 C ATOM 990 O VAL A 75 4.123 9.020 -6.860 1.00 0.00 O ATOM 991 CB VAL A 75 5.621 11.716 -7.215 1.00 0.00 C ATOM 992 CG1 VAL A 75 4.624 12.027 -6.109 1.00 0.00 C ATOM 993 CG2 VAL A 75 6.896 11.117 -6.640 1.00 0.00 C ATOM 0 H VAL A 75 3.197 11.796 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 75 5.602 10.781 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 75 5.880 12.650 -7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.083 12.699 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.742 12.503 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.332 11.102 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.322 11.803 -5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.666 10.167 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.614 10.951 -7.443 1.00 0.00 H new ATOM 1003 N THR A 76 5.913 8.525 -8.132 1.00 0.00 N ATOM 1004 CA THR A 76 6.002 7.153 -7.670 1.00 0.00 C ATOM 1005 C THR A 76 6.941 7.042 -6.475 1.00 0.00 C ATOM 1006 O THR A 76 7.867 7.841 -6.327 1.00 0.00 O ATOM 1007 CB THR A 76 6.501 6.230 -8.797 1.00 0.00 C ATOM 1008 OG1 THR A 76 5.460 6.025 -9.760 1.00 0.00 O ATOM 1009 CG2 THR A 76 6.954 4.892 -8.244 1.00 0.00 C ATOM 0 H THR A 76 6.624 8.786 -8.816 1.00 0.00 H new ATOM 0 HA THR A 76 5.002 6.842 -7.367 1.00 0.00 H new ATOM 0 HB THR A 76 7.352 6.712 -9.277 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.538 5.125 -10.139 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.301 4.259 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.767 5.048 -7.535 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.120 4.406 -7.738 1.00 0.00 H new ATOM 1017 N PRO A 77 6.718 6.047 -5.599 1.00 0.00 N ATOM 1018 CA PRO A 77 7.535 5.829 -4.419 1.00 0.00 C ATOM 1019 C PRO A 77 8.691 4.869 -4.684 1.00 0.00 C ATOM 1020 O PRO A 77 8.533 3.652 -4.588 1.00 0.00 O ATOM 1021 CB PRO A 77 6.543 5.212 -3.421 1.00 0.00 C ATOM 1022 CG PRO A 77 5.316 4.851 -4.213 1.00 0.00 C ATOM 1023 CD PRO A 77 5.652 5.050 -5.667 1.00 0.00 C ATOM 0 HA PRO A 77 8.005 6.747 -4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.970 4.331 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.300 5.919 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.025 3.818 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.473 5.478 -3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.987 4.126 -6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.795 5.407 -6.239 1.00 0.00 H new ATOM 1031 N VAL A 78 9.853 5.422 -5.015 1.00 0.00 N ATOM 1032 CA VAL A 78 11.032 4.611 -5.290 1.00 0.00 C ATOM 1033 C VAL A 78 11.789 4.290 -4.007 1.00 0.00 C ATOM 1034 O VAL A 78 11.703 5.024 -3.022 1.00 0.00 O ATOM 1035 CB VAL A 78 11.988 5.315 -6.271 1.00 0.00 C ATOM 1036 CG1 VAL A 78 12.977 4.321 -6.858 1.00 0.00 C ATOM 1037 CG2 VAL A 78 11.202 6.013 -7.372 1.00 0.00 C ATOM 0 H VAL A 78 10.003 6.427 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 78 10.677 3.686 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 78 12.551 6.071 -5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.644 4.836 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.562 3.872 -6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.435 3.540 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.893 6.505 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.611 5.278 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.538 6.756 -6.930 1.00 0.00 H new ATOM 1047 N LEU A 79 12.527 3.186 -4.024 1.00 0.00 N ATOM 1048 CA LEU A 79 13.299 2.763 -2.862 1.00 0.00 C ATOM 1049 C LEU A 79 14.615 2.122 -3.287 1.00 0.00 C ATOM 1050 O LEU A 79 14.650 0.959 -3.690 1.00 0.00 O ATOM 1051 CB LEU A 79 12.487 1.777 -2.020 1.00 0.00 C ATOM 1052 CG LEU A 79 11.455 2.415 -1.089 1.00 0.00 C ATOM 1053 CD1 LEU A 79 10.299 2.994 -1.889 1.00 0.00 C ATOM 1054 CD2 LEU A 79 10.948 1.399 -0.078 1.00 0.00 C ATOM 0 H LEU A 79 12.607 2.567 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 79 13.523 3.646 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.972 1.089 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.176 1.182 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 79 11.938 3.228 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.575 3.443 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.675 3.755 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.817 2.200 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.215 1.871 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.482 0.565 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.783 1.032 0.519 1.00 0.00 H new ATOM 1066 N ARG A 80 15.697 2.889 -3.198 1.00 0.00 N ATOM 1067 CA ARG A 80 17.017 2.396 -3.575 1.00 0.00 C ATOM 1068 C ARG A 80 17.037 1.973 -5.041 1.00 0.00 C ATOM 1069 O ARG A 80 17.958 1.289 -5.488 1.00 0.00 O ATOM 1070 CB ARG A 80 17.418 1.216 -2.687 1.00 0.00 C ATOM 1071 CG ARG A 80 18.154 1.630 -1.424 1.00 0.00 C ATOM 1072 CD ARG A 80 18.600 0.420 -0.617 1.00 0.00 C ATOM 1073 NE ARG A 80 18.423 0.624 0.817 1.00 0.00 N ATOM 1074 CZ ARG A 80 19.013 -0.124 1.745 1.00 0.00 C ATOM 1075 NH1 ARG A 80 19.813 -1.119 1.387 1.00 0.00 N ATOM 1076 NH2 ARG A 80 18.802 0.122 3.031 1.00 0.00 N ATOM 0 H ARG A 80 15.686 3.854 -2.868 1.00 0.00 H new ATOM 0 HA ARG A 80 17.734 3.205 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.523 0.659 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.050 0.538 -3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.023 2.232 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 80 17.505 2.257 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.031 -0.455 -0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.649 0.211 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 80 17.813 1.382 1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 80 19.977 -1.312 0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.265 -1.692 2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.186 0.886 3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.255 -0.453 3.741 1.00 0.00 H new ATOM 1090 N GLY A 81 16.015 2.385 -5.784 1.00 0.00 N ATOM 1091 CA GLY A 81 15.934 2.041 -7.190 1.00 0.00 C ATOM 1092 C GLY A 81 14.746 1.151 -7.502 1.00 0.00 C ATOM 1093 O GLY A 81 14.500 0.819 -8.661 1.00 0.00 O ATOM 0 H GLY A 81 15.241 2.951 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.865 2.954 -7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.852 1.535 -7.491 1.00 0.00 H new ATOM 1097 N GLN A 82 14.008 0.767 -6.466 1.00 0.00 N ATOM 1098 CA GLN A 82 12.839 -0.087 -6.635 1.00 0.00 C ATOM 1099 C GLN A 82 11.554 0.730 -6.541 1.00 0.00 C ATOM 1100 O GLN A 82 11.071 1.021 -5.447 1.00 0.00 O ATOM 1101 CB GLN A 82 12.832 -1.194 -5.581 1.00 0.00 C ATOM 1102 CG GLN A 82 13.225 -2.557 -6.128 1.00 0.00 C ATOM 1103 CD GLN A 82 14.217 -2.463 -7.270 1.00 0.00 C ATOM 1104 OE1 GLN A 82 13.849 -2.573 -8.439 1.00 0.00 O ATOM 1105 NE2 GLN A 82 15.486 -2.258 -6.935 1.00 0.00 N ATOM 0 H GLN A 82 14.199 1.034 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 82 12.890 -0.540 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.516 -0.923 -4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.836 -1.261 -5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.656 -3.156 -5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.331 -3.079 -6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.747 -2.173 -5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.200 -2.186 -7.660 1.00 0.00 H new ATOM 1114 N PRO A 83 10.988 1.109 -7.694 1.00 0.00 N ATOM 1115 CA PRO A 83 9.757 1.897 -7.751 1.00 0.00 C ATOM 1116 C PRO A 83 8.510 1.049 -7.525 1.00 0.00 C ATOM 1117 O PRO A 83 7.999 0.424 -8.453 1.00 0.00 O ATOM 1118 CB PRO A 83 9.775 2.454 -9.172 1.00 0.00 C ATOM 1119 CG PRO A 83 10.498 1.421 -9.968 1.00 0.00 C ATOM 1120 CD PRO A 83 11.510 0.801 -9.038 1.00 0.00 C ATOM 0 HA PRO A 83 9.720 2.660 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.765 2.611 -9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.284 3.417 -9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.807 0.669 -10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.988 1.869 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.594 -0.274 -9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.503 1.224 -9.188 1.00 0.00 H new ATOM 1128 N ILE A 84 8.023 1.037 -6.288 1.00 0.00 N ATOM 1129 CA ILE A 84 6.833 0.268 -5.949 1.00 0.00 C ATOM 1130 C ILE A 84 5.607 1.174 -5.875 1.00 0.00 C ATOM 1131 O ILE A 84 5.465 1.972 -4.949 1.00 0.00 O ATOM 1132 CB ILE A 84 7.006 -0.479 -4.611 1.00 0.00 C ATOM 1133 CG1 ILE A 84 6.921 0.488 -3.430 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.334 -1.219 -4.594 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.537 -0.060 -2.156 1.00 0.00 C ATOM 0 H ILE A 84 8.433 1.549 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 84 6.688 -0.469 -6.739 1.00 0.00 H new ATOM 0 HB ILE A 84 6.196 -1.202 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.422 1.419 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.875 0.731 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.446 -1.743 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.360 -1.939 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.150 -0.506 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.442 0.678 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.021 -0.975 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.592 -0.277 -2.326 1.00 0.00 H new ATOM 1147 N TYR A 85 4.733 1.052 -6.870 1.00 0.00 N ATOM 1148 CA TYR A 85 3.524 1.866 -6.937 1.00 0.00 C ATOM 1149 C TYR A 85 2.563 1.536 -5.800 1.00 0.00 C ATOM 1150 O TYR A 85 2.503 0.400 -5.332 1.00 0.00 O ATOM 1151 CB TYR A 85 2.822 1.660 -8.280 1.00 0.00 C ATOM 1152 CG TYR A 85 3.380 2.517 -9.395 1.00 0.00 C ATOM 1153 CD1 TYR A 85 4.682 2.342 -9.846 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.603 3.499 -9.996 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.194 3.123 -10.865 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.109 4.284 -11.016 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.403 4.091 -11.446 1.00 0.00 C ATOM 1158 OH TYR A 85 4.910 4.870 -12.461 1.00 0.00 O ATOM 0 H TYR A 85 4.840 0.395 -7.643 1.00 0.00 H new ATOM 0 HA TYR A 85 3.823 2.909 -6.838 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.902 0.611 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.761 1.878 -8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.304 1.584 -9.393 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.588 3.652 -9.661 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.209 2.976 -11.204 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.493 5.044 -11.473 1.00 0.00 H new ATOM 0 HH TYR A 85 5.381 5.640 -12.079 1.00 0.00 H new ATOM 1168 N ILE A 86 1.810 2.543 -5.366 1.00 0.00 N ATOM 1169 CA ILE A 86 0.846 2.377 -4.291 1.00 0.00 C ATOM 1170 C ILE A 86 -0.535 2.857 -4.733 1.00 0.00 C ATOM 1171 O ILE A 86 -0.748 4.052 -4.944 1.00 0.00 O ATOM 1172 CB ILE A 86 1.287 3.155 -3.034 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.410 2.407 -2.315 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.110 3.381 -2.098 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.518 3.313 -1.823 1.00 0.00 C ATOM 0 H ILE A 86 1.852 3.488 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 86 0.795 1.316 -4.047 1.00 0.00 H new ATOM 0 HB ILE A 86 1.662 4.129 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.991 1.865 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.832 1.664 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.445 3.931 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.660 3.955 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.300 2.419 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.281 2.716 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.963 3.836 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.109 4.040 -1.122 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.470 1.924 -4.874 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.826 2.262 -5.294 1.00 0.00 C ATOM 1189 C GLN A 87 -3.860 1.676 -4.339 1.00 0.00 C ATOM 1190 O GLN A 87 -3.524 0.912 -3.435 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.082 1.757 -6.715 1.00 0.00 C ATOM 1192 CG GLN A 87 -2.121 2.327 -7.746 1.00 0.00 C ATOM 1193 CD GLN A 87 -1.049 1.337 -8.154 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -0.077 1.122 -7.429 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -1.221 0.725 -9.320 1.00 0.00 N ATOM 0 H GLN A 87 -1.315 0.930 -4.704 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.922 3.348 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.008 0.670 -6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.102 2.010 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.682 2.634 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.649 3.222 -7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.041 0.933 -9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.533 0.047 -9.646 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.120 2.042 -4.548 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.209 1.557 -3.708 1.00 0.00 C ATOM 1206 C PHE A 88 -6.511 0.091 -4.001 1.00 0.00 C ATOM 1207 O PHE A 88 -6.284 -0.390 -5.112 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.466 2.401 -3.929 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.261 3.866 -3.665 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -7.100 4.336 -2.372 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.230 4.772 -4.712 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.913 5.683 -2.128 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.044 6.122 -4.474 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.885 6.577 -3.180 1.00 0.00 C ATOM 0 H PHE A 88 -5.413 2.674 -5.293 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.898 1.645 -2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.806 2.270 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.260 2.031 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.121 3.642 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.352 4.421 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.789 6.036 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.023 6.819 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.739 7.630 -2.991 1.00 0.00 H new ATOM 1224 N SER A 89 -7.024 -0.615 -2.999 1.00 0.00 N ATOM 1225 CA SER A 89 -7.358 -2.026 -3.150 1.00 0.00 C ATOM 1226 C SER A 89 -8.490 -2.423 -2.208 1.00 0.00 C ATOM 1227 O SER A 89 -9.061 -1.580 -1.517 1.00 0.00 O ATOM 1228 CB SER A 89 -6.128 -2.893 -2.881 1.00 0.00 C ATOM 1229 OG SER A 89 -5.658 -3.496 -4.074 1.00 0.00 O ATOM 0 H SER A 89 -7.218 -0.233 -2.073 1.00 0.00 H new ATOM 0 HA SER A 89 -7.691 -2.187 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.338 -2.283 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.376 -3.665 -2.153 1.00 0.00 H new ATOM 0 HG SER A 89 -5.666 -2.837 -4.799 1.00 0.00 H new ATOM 1235 N ASN A 90 -8.808 -3.714 -2.186 1.00 0.00 N ATOM 1236 CA ASN A 90 -9.870 -4.227 -1.328 1.00 0.00 C ATOM 1237 C ASN A 90 -11.043 -3.254 -1.271 1.00 0.00 C ATOM 1238 O ASN A 90 -11.173 -2.370 -2.119 1.00 0.00 O ATOM 1239 CB ASN A 90 -9.336 -4.484 0.082 1.00 0.00 C ATOM 1240 CG ASN A 90 -9.856 -5.780 0.671 1.00 0.00 C ATOM 1241 OD1 ASN A 90 -10.483 -5.787 1.730 1.00 0.00 O ATOM 1242 ND2 ASN A 90 -9.597 -6.887 -0.015 1.00 0.00 N ATOM 0 H ASN A 90 -8.345 -4.424 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 90 -10.223 -5.167 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.247 -4.512 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.618 -3.655 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.922 -7.790 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.073 -6.835 -0.889 1.00 0.00 H new ATOM 1249 N HIS A 91 -11.895 -3.421 -0.264 1.00 0.00 N ATOM 1250 CA HIS A 91 -13.057 -2.557 -0.095 1.00 0.00 C ATOM 1251 C HIS A 91 -12.837 -1.569 1.046 1.00 0.00 C ATOM 1252 O HIS A 91 -11.701 -1.212 1.359 1.00 0.00 O ATOM 1253 CB HIS A 91 -14.307 -3.396 0.173 1.00 0.00 C ATOM 1254 CG HIS A 91 -15.557 -2.809 -0.406 1.00 0.00 C ATOM 1255 ND1 HIS A 91 -16.711 -2.621 0.327 1.00 0.00 N ATOM 1256 CD2 HIS A 91 -15.831 -2.364 -1.655 1.00 0.00 C ATOM 1257 CE1 HIS A 91 -17.640 -2.090 -0.447 1.00 0.00 C ATOM 1258 NE2 HIS A 91 -17.131 -1.923 -1.653 1.00 0.00 N ATOM 0 H HIS A 91 -11.802 -4.147 0.447 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.198 -1.993 -1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -14.160 -4.394 -0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -14.434 -3.511 1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -15.153 -2.357 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -18.645 -1.836 -0.144 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -17.624 -1.530 -2.455 1.00 0.00 H new ATOM 1267 N LYS A 92 -13.929 -1.130 1.664 1.00 0.00 N ATOM 1268 CA LYS A 92 -13.853 -0.183 2.770 1.00 0.00 C ATOM 1269 C LYS A 92 -12.622 -0.445 3.631 1.00 0.00 C ATOM 1270 O LYS A 92 -11.723 0.392 3.718 1.00 0.00 O ATOM 1271 CB LYS A 92 -15.116 -0.270 3.629 1.00 0.00 C ATOM 1272 CG LYS A 92 -16.405 -0.206 2.826 1.00 0.00 C ATOM 1273 CD LYS A 92 -17.253 0.990 3.225 1.00 0.00 C ATOM 1274 CE LYS A 92 -18.677 0.861 2.708 1.00 0.00 C ATOM 1275 NZ LYS A 92 -19.199 2.156 2.191 1.00 0.00 N ATOM 0 H LYS A 92 -14.877 -1.415 1.417 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.773 0.820 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -15.097 -1.201 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.109 0.544 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.170 -0.148 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.974 -1.123 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -17.266 1.082 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.804 1.903 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.709 0.114 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.323 0.503 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.172 2.026 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.192 2.862 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.597 2.485 1.409 1.00 0.00 H new ATOM 1289 N GLU A 93 -12.586 -1.613 4.265 1.00 0.00 N ATOM 1290 CA GLU A 93 -11.463 -1.985 5.118 1.00 0.00 C ATOM 1291 C GLU A 93 -11.050 -3.432 4.874 1.00 0.00 C ATOM 1292 O GLU A 93 -11.855 -4.253 4.434 1.00 0.00 O ATOM 1293 CB GLU A 93 -11.828 -1.789 6.591 1.00 0.00 C ATOM 1294 CG GLU A 93 -12.757 -0.612 6.836 1.00 0.00 C ATOM 1295 CD GLU A 93 -14.186 -1.043 7.104 1.00 0.00 C ATOM 1296 OE1 GLU A 93 -14.422 -1.709 8.133 1.00 0.00 O ATOM 1297 OE2 GLU A 93 -15.069 -0.714 6.284 1.00 0.00 O ATOM 0 H GLU A 93 -13.321 -2.318 4.204 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.621 -1.339 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.301 -2.698 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.914 -1.646 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.390 -0.035 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.737 0.048 5.969 1.00 0.00 H new ATOM 1304 N LEU A 94 -9.789 -3.739 5.160 1.00 0.00 N ATOM 1305 CA LEU A 94 -9.267 -5.087 4.972 1.00 0.00 C ATOM 1306 C LEU A 94 -9.369 -5.895 6.262 1.00 0.00 C ATOM 1307 O LEU A 94 -8.538 -5.756 7.160 1.00 0.00 O ATOM 1308 CB LEU A 94 -7.812 -5.032 4.503 1.00 0.00 C ATOM 1309 CG LEU A 94 -7.019 -6.326 4.699 1.00 0.00 C ATOM 1310 CD1 LEU A 94 -7.367 -7.334 3.616 1.00 0.00 C ATOM 1311 CD2 LEU A 94 -5.525 -6.038 4.703 1.00 0.00 C ATOM 0 H LEU A 94 -9.109 -3.071 5.523 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.869 -5.580 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.797 -4.771 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.304 -4.228 5.036 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.289 -6.754 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.794 -8.248 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.432 -7.562 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.125 -6.916 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.975 -6.969 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.239 -5.587 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.289 -5.351 5.516 1.00 0.00 H new ATOM 1323 N LYS A 95 -10.393 -6.737 6.349 1.00 0.00 N ATOM 1324 CA LYS A 95 -10.603 -7.567 7.529 1.00 0.00 C ATOM 1325 C LYS A 95 -11.037 -8.975 7.136 1.00 0.00 C ATOM 1326 O LYS A 95 -11.795 -9.159 6.185 1.00 0.00 O ATOM 1327 CB LYS A 95 -11.654 -6.933 8.443 1.00 0.00 C ATOM 1328 CG LYS A 95 -11.420 -7.204 9.920 1.00 0.00 C ATOM 1329 CD LYS A 95 -11.708 -5.974 10.766 1.00 0.00 C ATOM 1330 CE LYS A 95 -10.616 -5.737 11.796 1.00 0.00 C ATOM 1331 NZ LYS A 95 -11.169 -5.240 13.086 1.00 0.00 N ATOM 0 H LYS A 95 -11.091 -6.863 5.616 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.657 -7.636 8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.665 -5.856 8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -12.639 -7.308 8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.056 -8.027 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.388 -7.519 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.796 -5.100 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.666 -6.095 11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.071 -6.665 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.899 -5.015 11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.393 -5.091 13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.667 -4.341 12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.834 -5.941 13.472 1.00 0.00 H new ATOM 1345 N THR A 96 -10.549 -9.966 7.875 1.00 0.00 N ATOM 1346 CA THR A 96 -10.886 -11.358 7.604 1.00 0.00 C ATOM 1347 C THR A 96 -11.416 -12.049 8.855 1.00 0.00 C ATOM 1348 O THR A 96 -10.644 -12.509 9.696 1.00 0.00 O ATOM 1349 CB THR A 96 -9.668 -12.139 7.077 1.00 0.00 C ATOM 1350 OG1 THR A 96 -8.626 -11.231 6.704 1.00 0.00 O ATOM 1351 CG2 THR A 96 -10.052 -12.997 5.880 1.00 0.00 C ATOM 0 H THR A 96 -9.919 -9.831 8.666 1.00 0.00 H new ATOM 0 HA THR A 96 -11.663 -11.352 6.839 1.00 0.00 H new ATOM 0 HB THR A 96 -9.312 -12.792 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.855 -11.737 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.176 -13.539 5.525 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.824 -13.708 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.432 -12.359 5.082 1.00 0.00 H new ATOM 1359 N ASP A 97 -12.738 -12.120 8.971 1.00 0.00 N ATOM 1360 CA ASP A 97 -13.371 -12.755 10.121 1.00 0.00 C ATOM 1361 C ASP A 97 -14.846 -12.378 10.207 1.00 0.00 C ATOM 1362 O ASP A 97 -15.349 -11.608 9.389 1.00 0.00 O ATOM 1363 CB ASP A 97 -12.653 -12.355 11.411 1.00 0.00 C ATOM 1364 CG ASP A 97 -12.278 -10.886 11.432 1.00 0.00 C ATOM 1365 OD1 ASP A 97 -13.007 -10.078 10.817 1.00 0.00 O ATOM 1366 OD2 ASP A 97 -11.257 -10.543 12.063 1.00 0.00 O ATOM 0 H ASP A 97 -13.391 -11.746 8.283 1.00 0.00 H new ATOM 0 HA ASP A 97 -13.298 -13.835 9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -13.295 -12.576 12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.753 -12.959 11.525 1.00 0.00 H new ATOM 1371 N SER A 98 -15.534 -12.924 11.204 1.00 0.00 N ATOM 1372 CA SER A 98 -16.952 -12.644 11.398 1.00 0.00 C ATOM 1373 C SER A 98 -17.343 -12.808 12.863 1.00 0.00 C ATOM 1374 O SER A 98 -18.454 -13.238 13.173 1.00 0.00 O ATOM 1375 CB SER A 98 -17.801 -13.570 10.524 1.00 0.00 C ATOM 1376 OG SER A 98 -17.811 -13.131 9.176 1.00 0.00 O ATOM 0 H SER A 98 -15.133 -13.563 11.890 1.00 0.00 H new ATOM 0 HA SER A 98 -17.136 -11.610 11.105 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.408 -14.586 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.821 -13.602 10.907 1.00 0.00 H new ATOM 0 HG SER A 98 -17.092 -12.479 9.039 1.00 0.00 H new ATOM 1382 N SER A 99 -16.424 -12.464 13.758 1.00 0.00 N ATOM 1383 CA SER A 99 -16.673 -12.574 15.190 1.00 0.00 C ATOM 1384 C SER A 99 -17.497 -13.818 15.504 1.00 0.00 C ATOM 1385 O SER A 99 -16.892 -14.894 15.696 1.00 0.00 O ATOM 1386 CB SER A 99 -17.398 -11.326 15.699 1.00 0.00 C ATOM 1387 OG SER A 99 -18.149 -11.613 16.867 1.00 0.00 O ATOM 0 H SER A 99 -15.500 -12.107 13.517 1.00 0.00 H new ATOM 0 HA SER A 99 -15.711 -12.660 15.696 1.00 0.00 H new ATOM 0 HB2 SER A 99 -16.672 -10.542 15.913 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.060 -10.944 14.922 1.00 0.00 H new ATOM 0 HG SER A 99 -18.601 -10.799 17.173 1.00 0.00 H new TER 1393 SER A 99