USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 849 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 16 HIS : no HE2:sc= -0.31 K(o=-0.24,f=-1.3) USER MOD Set 1.2: A 109 GLN : amide:sc= 0.0699 X(o=-0.24,f=-0.4) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -4.3! C(o=-5.3!,f=-5.9!) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.98 X(o=-5.3,f=-5) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 160:sc= 0 (180deg=0) USER MOD Set 3.2: A 119 GLN : amide:sc= -0.125 X(o=-0.13,f=0.22) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 8 THR OG1 : rot 37:sc= 1.29 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 160:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 15 GLN : amide:sc= -2.24! X(o=-2.2!,f=-2.2) USER MOD Single : A 31 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.28) USER MOD Single : A 33 SER OG : rot 180:sc= -0.473 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= -1.09 (180deg=-3.01!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= -1.75 (180deg=-1.87) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -49:sc= 0.191 USER MOD Single : A 95 LYS NZ :NH3+ -120:sc= -1.08 (180deg=-5.43!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -1.04 K(o=-1,f=-1.8) USER MOD Single : A 106 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.059) USER MOD Single : A 111 SER OG : rot 58:sc= 0.307 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 10.477 20.990 2.789 1.00 0.00 N ATOM 47 CA THR A 4 10.227 19.938 3.774 1.00 0.00 C ATOM 48 C THR A 4 9.669 18.687 3.098 1.00 0.00 C ATOM 49 O THR A 4 8.943 18.776 2.106 1.00 0.00 O ATOM 50 CB THR A 4 9.255 20.430 4.857 1.00 0.00 C ATOM 51 OG1 THR A 4 8.827 19.355 5.680 1.00 0.00 O ATOM 52 CG2 THR A 4 8.018 21.099 4.298 1.00 0.00 C ATOM 0 HA THR A 4 11.176 19.685 4.246 1.00 0.00 H new ATOM 0 HB THR A 4 9.818 21.166 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.210 19.692 6.363 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.377 21.421 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.310 21.965 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.475 20.393 3.669 1.00 0.00 H new ATOM 60 N VAL A 5 10.012 17.522 3.646 1.00 0.00 N ATOM 61 CA VAL A 5 9.549 16.253 3.099 1.00 0.00 C ATOM 62 C VAL A 5 8.902 15.396 4.185 1.00 0.00 C ATOM 63 O VAL A 5 9.548 15.028 5.170 1.00 0.00 O ATOM 64 CB VAL A 5 10.705 15.463 2.448 1.00 0.00 C ATOM 65 CG1 VAL A 5 10.176 14.241 1.707 1.00 0.00 C ATOM 66 CG2 VAL A 5 11.507 16.356 1.510 1.00 0.00 C ATOM 0 H VAL A 5 10.609 17.433 4.468 1.00 0.00 H new ATOM 0 HA VAL A 5 8.809 16.486 2.333 1.00 0.00 H new ATOM 0 HB VAL A 5 11.369 15.118 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.008 13.700 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.655 13.588 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.485 14.560 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.316 15.779 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.855 16.737 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.925 17.192 2.072 1.00 0.00 H new ATOM 76 N LYS A 6 7.622 15.077 3.987 1.00 0.00 N ATOM 77 CA LYS A 6 6.871 14.258 4.933 1.00 0.00 C ATOM 78 C LYS A 6 6.003 13.243 4.191 1.00 0.00 C ATOM 79 O LYS A 6 5.110 13.617 3.430 1.00 0.00 O ATOM 80 CB LYS A 6 5.996 15.140 5.828 1.00 0.00 C ATOM 81 CG LYS A 6 6.571 15.361 7.217 1.00 0.00 C ATOM 82 CD LYS A 6 5.661 16.237 8.064 1.00 0.00 C ATOM 83 CE LYS A 6 6.457 17.095 9.039 1.00 0.00 C ATOM 84 NZ LYS A 6 6.206 16.711 10.457 1.00 0.00 N ATOM 0 H LYS A 6 7.083 15.377 3.174 1.00 0.00 H new ATOM 0 HA LYS A 6 7.583 13.719 5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.856 16.107 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.010 14.684 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.714 14.399 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.553 15.827 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.066 16.880 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.963 15.609 8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.521 16.999 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.195 18.143 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.984 17.059 11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.310 17.131 10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.149 15.675 10.531 1.00 0.00 H new ATOM 98 N ARG A 7 6.277 11.958 4.417 1.00 0.00 N ATOM 99 CA ARG A 7 5.523 10.886 3.768 1.00 0.00 C ATOM 100 C ARG A 7 5.322 9.704 4.715 1.00 0.00 C ATOM 101 O ARG A 7 5.928 9.641 5.786 1.00 0.00 O ATOM 102 CB ARG A 7 6.251 10.425 2.501 1.00 0.00 C ATOM 103 CG ARG A 7 5.719 11.061 1.224 1.00 0.00 C ATOM 104 CD ARG A 7 6.839 11.359 0.236 1.00 0.00 C ATOM 105 NE ARG A 7 6.553 10.839 -1.100 1.00 0.00 N ATOM 106 CZ ARG A 7 6.774 9.574 -1.475 1.00 0.00 C ATOM 107 NH1 ARG A 7 7.229 8.681 -0.599 1.00 0.00 N ATOM 108 NH2 ARG A 7 6.526 9.198 -2.724 1.00 0.00 N ATOM 0 H ARG A 7 7.014 11.635 5.043 1.00 0.00 H new ATOM 0 HA ARG A 7 4.542 11.276 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.312 10.657 2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.168 9.341 2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.992 10.394 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.194 11.984 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.993 12.437 0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.769 10.923 0.602 1.00 0.00 H new ATOM 0 HE ARG A 7 6.161 11.481 -1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.411 8.960 0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.395 7.718 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.167 9.874 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.695 8.233 -3.009 1.00 0.00 H new ATOM 122 N THR A 8 4.463 8.769 4.310 1.00 0.00 N ATOM 123 CA THR A 8 4.169 7.580 5.111 1.00 0.00 C ATOM 124 C THR A 8 3.302 6.604 4.318 1.00 0.00 C ATOM 125 O THR A 8 2.316 7.006 3.701 1.00 0.00 O ATOM 126 CB THR A 8 3.465 7.976 6.420 1.00 0.00 C ATOM 127 OG1 THR A 8 3.182 6.840 7.221 1.00 0.00 O ATOM 128 CG2 THR A 8 2.163 8.718 6.202 1.00 0.00 C ATOM 0 H THR A 8 3.955 8.812 3.426 1.00 0.00 H new ATOM 0 HA THR A 8 5.110 7.088 5.357 1.00 0.00 H new ATOM 0 HB THR A 8 4.168 8.640 6.923 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.912 6.191 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.720 8.967 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.355 9.634 5.644 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.475 8.088 5.638 1.00 0.00 H new ATOM 136 N ILE A 9 3.670 5.323 4.339 1.00 0.00 N ATOM 137 CA ILE A 9 2.914 4.306 3.622 1.00 0.00 C ATOM 138 C ILE A 9 2.165 3.396 4.591 1.00 0.00 C ATOM 139 O ILE A 9 2.771 2.713 5.418 1.00 0.00 O ATOM 140 CB ILE A 9 3.819 3.456 2.700 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.965 2.520 1.839 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.839 2.663 3.510 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.137 3.244 0.800 1.00 0.00 C ATOM 0 H ILE A 9 4.483 4.970 4.843 1.00 0.00 H new ATOM 0 HA ILE A 9 2.192 4.832 2.997 1.00 0.00 H new ATOM 0 HB ILE A 9 4.369 4.131 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.617 1.804 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.301 1.948 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.461 2.075 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.467 3.350 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.319 1.996 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.558 2.520 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.460 3.940 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.796 3.794 0.128 1.00 0.00 H new ATOM 155 N ARG A 10 0.840 3.400 4.482 1.00 0.00 N ATOM 156 CA ARG A 10 -0.001 2.583 5.345 1.00 0.00 C ATOM 157 C ARG A 10 -0.918 1.687 4.517 1.00 0.00 C ATOM 158 O ARG A 10 -1.867 2.166 3.893 1.00 0.00 O ATOM 159 CB ARG A 10 -0.829 3.474 6.271 1.00 0.00 C ATOM 160 CG ARG A 10 -0.084 3.910 7.522 1.00 0.00 C ATOM 161 CD ARG A 10 -1.003 4.612 8.507 1.00 0.00 C ATOM 162 NE ARG A 10 -0.256 5.207 9.613 1.00 0.00 N ATOM 163 CZ ARG A 10 -0.807 5.600 10.763 1.00 0.00 C ATOM 164 NH1 ARG A 10 -2.115 5.468 10.970 1.00 0.00 N ATOM 165 NH2 ARG A 10 -0.046 6.131 11.712 1.00 0.00 N ATOM 0 H ARG A 10 0.326 3.962 3.803 1.00 0.00 H new ATOM 0 HA ARG A 10 0.644 1.946 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.147 4.359 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.732 2.939 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.365 3.039 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.732 4.578 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.567 5.388 7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.728 3.899 8.899 1.00 0.00 H new ATOM 0 HE ARG A 10 0.750 5.330 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.708 5.063 10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.525 5.772 11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.957 6.238 11.561 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.464 6.432 12.592 1.00 0.00 H new ATOM 179 N ILE A 11 -0.626 0.388 4.513 1.00 0.00 N ATOM 180 CA ILE A 11 -1.424 -0.576 3.760 1.00 0.00 C ATOM 181 C ILE A 11 -2.055 -1.611 4.689 1.00 0.00 C ATOM 182 O ILE A 11 -1.370 -2.216 5.515 1.00 0.00 O ATOM 183 CB ILE A 11 -0.583 -1.302 2.684 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.575 -2.075 3.330 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.056 -0.302 1.658 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.366 -3.575 3.347 1.00 0.00 C ATOM 0 H ILE A 11 0.157 -0.021 5.023 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.211 -0.010 3.262 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.225 -2.018 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.496 -1.851 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.710 -1.723 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.534 -0.828 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.894 0.200 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.569 0.437 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.223 -4.056 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.537 -3.810 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.261 -3.939 2.325 1.00 0.00 H new ATOM 198 N LYS A 12 -3.367 -1.802 4.553 1.00 0.00 N ATOM 199 CA LYS A 12 -4.097 -2.757 5.382 1.00 0.00 C ATOM 200 C LYS A 12 -4.663 -3.889 4.528 1.00 0.00 C ATOM 201 O LYS A 12 -5.371 -3.645 3.550 1.00 0.00 O ATOM 202 CB LYS A 12 -5.224 -2.048 6.136 1.00 0.00 C ATOM 203 CG LYS A 12 -4.733 -1.172 7.280 1.00 0.00 C ATOM 204 CD LYS A 12 -4.197 0.162 6.778 1.00 0.00 C ATOM 205 CE LYS A 12 -3.812 1.076 7.931 1.00 0.00 C ATOM 206 NZ LYS A 12 -2.556 0.633 8.605 1.00 0.00 N ATOM 0 H LYS A 12 -3.946 -1.306 3.875 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.404 -3.186 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.789 -1.433 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.912 -2.795 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.550 -0.996 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.950 -1.695 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.328 -0.009 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.952 0.650 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.684 2.093 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.623 1.102 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.332 1.284 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.685 -0.327 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.775 0.633 7.918 1.00 0.00 H new ATOM 220 N THR A 13 -4.333 -5.129 4.897 1.00 0.00 N ATOM 221 CA THR A 13 -4.798 -6.299 4.160 1.00 0.00 C ATOM 222 C THR A 13 -5.414 -7.339 5.097 1.00 0.00 C ATOM 223 O THR A 13 -4.791 -7.751 6.077 1.00 0.00 O ATOM 224 CB THR A 13 -3.639 -6.918 3.373 1.00 0.00 C ATOM 225 OG1 THR A 13 -3.113 -5.993 2.434 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.029 -8.169 2.617 1.00 0.00 C ATOM 0 H THR A 13 -3.745 -5.345 5.702 1.00 0.00 H new ATOM 0 HA THR A 13 -5.572 -5.974 3.465 1.00 0.00 H new ATOM 0 HB THR A 13 -2.894 -7.183 4.123 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.207 -6.266 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.162 -8.556 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.387 -8.922 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.819 -7.932 1.905 1.00 0.00 H new ATOM 234 N GLN A 14 -6.639 -7.760 4.781 1.00 0.00 N ATOM 235 CA GLN A 14 -7.347 -8.755 5.587 1.00 0.00 C ATOM 236 C GLN A 14 -8.082 -9.756 4.696 1.00 0.00 C ATOM 237 O GLN A 14 -8.364 -9.467 3.531 1.00 0.00 O ATOM 238 CB GLN A 14 -8.339 -8.068 6.529 1.00 0.00 C ATOM 239 CG GLN A 14 -7.747 -6.894 7.293 1.00 0.00 C ATOM 240 CD GLN A 14 -8.789 -6.103 8.061 1.00 0.00 C ATOM 241 OE1 GLN A 14 -9.970 -6.458 8.077 1.00 0.00 O ATOM 242 NE2 GLN A 14 -8.361 -5.024 8.704 1.00 0.00 N ATOM 0 H GLN A 14 -7.162 -7.427 3.971 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.610 -9.297 6.180 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.194 -7.719 5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.716 -8.801 7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.993 -7.263 7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.238 -6.231 6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.375 -4.765 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.018 -4.454 9.237 1.00 0.00 H new ATOM 251 N GLN A 15 -8.392 -10.932 5.247 1.00 0.00 N ATOM 252 CA GLN A 15 -9.097 -11.968 4.489 1.00 0.00 C ATOM 253 C GLN A 15 -9.899 -12.880 5.412 1.00 0.00 C ATOM 254 O GLN A 15 -9.472 -13.181 6.524 1.00 0.00 O ATOM 255 CB GLN A 15 -8.102 -12.800 3.671 1.00 0.00 C ATOM 256 CG GLN A 15 -8.706 -14.060 3.061 1.00 0.00 C ATOM 257 CD GLN A 15 -8.314 -14.261 1.610 1.00 0.00 C ATOM 258 OE1 GLN A 15 -9.141 -14.134 0.709 1.00 0.00 O ATOM 259 NE2 GLN A 15 -7.047 -14.579 1.376 1.00 0.00 N ATOM 0 H GLN A 15 -8.168 -11.189 6.208 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.791 -11.470 3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.695 -12.180 2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.267 -13.083 4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.388 -14.926 3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.792 -14.008 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.393 -14.674 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.727 -14.728 0.419 1.00 0.00 H new ATOM 268 N HIS A 16 -11.065 -13.323 4.940 1.00 0.00 N ATOM 269 CA HIS A 16 -11.920 -14.211 5.728 1.00 0.00 C ATOM 270 C HIS A 16 -12.586 -15.256 4.837 1.00 0.00 C ATOM 271 O HIS A 16 -13.336 -14.914 3.926 1.00 0.00 O ATOM 272 CB HIS A 16 -12.989 -13.402 6.472 1.00 0.00 C ATOM 273 CG HIS A 16 -12.509 -12.071 6.965 1.00 0.00 C ATOM 274 ND1 HIS A 16 -11.681 -11.928 8.058 1.00 0.00 N ATOM 275 CD2 HIS A 16 -12.740 -10.818 6.505 1.00 0.00 C ATOM 276 CE1 HIS A 16 -11.422 -10.647 8.248 1.00 0.00 C ATOM 277 NE2 HIS A 16 -12.052 -9.953 7.319 1.00 0.00 N ATOM 0 H HIS A 16 -11.437 -13.083 4.021 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.292 -14.725 6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.840 -13.248 5.809 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.347 -13.985 7.320 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -11.324 -12.693 8.631 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.351 -10.550 5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.800 -10.237 9.030 1.00 0.00 H new ATOM 286 N ILE A 17 -12.309 -16.531 5.104 1.00 0.00 N ATOM 287 CA ILE A 17 -12.887 -17.617 4.316 1.00 0.00 C ATOM 288 C ILE A 17 -13.827 -18.470 5.169 1.00 0.00 C ATOM 289 O ILE A 17 -13.376 -19.314 5.946 1.00 0.00 O ATOM 290 CB ILE A 17 -11.792 -18.521 3.704 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.581 -17.688 3.262 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.352 -19.310 2.530 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.403 -18.521 2.801 1.00 0.00 C ATOM 0 H ILE A 17 -11.691 -16.836 5.856 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.452 -17.156 3.506 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.461 -19.223 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.884 -17.024 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.265 -17.055 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.569 -19.942 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.178 -19.934 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.711 -18.620 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.586 -17.863 2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.072 -19.166 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.702 -19.134 1.951 1.00 0.00 H new ATOM 476 N VAL A 29 -16.873 -19.324 -0.119 1.00 0.00 N ATOM 477 CA VAL A 29 -16.024 -18.291 -0.718 1.00 0.00 C ATOM 478 C VAL A 29 -15.121 -17.620 0.319 1.00 0.00 C ATOM 479 O VAL A 29 -15.232 -17.878 1.521 1.00 0.00 O ATOM 480 CB VAL A 29 -16.860 -17.196 -1.418 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.241 -17.624 -2.829 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.100 -16.846 -0.603 1.00 0.00 C ATOM 0 HA VAL A 29 -15.407 -18.805 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.244 -16.300 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.829 -16.837 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.337 -17.801 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.830 -18.540 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -18.669 -16.073 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.720 -17.735 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.799 -16.480 0.378 1.00 0.00 H new ATOM 492 N ARG A 30 -14.231 -16.747 -0.160 1.00 0.00 N ATOM 493 CA ARG A 30 -13.307 -16.021 0.707 1.00 0.00 C ATOM 494 C ARG A 30 -13.542 -14.511 0.630 1.00 0.00 C ATOM 495 O ARG A 30 -14.162 -14.012 -0.310 1.00 0.00 O ATOM 496 CB ARG A 30 -11.856 -16.341 0.333 1.00 0.00 C ATOM 497 CG ARG A 30 -11.547 -16.188 -1.150 1.00 0.00 C ATOM 498 CD ARG A 30 -10.047 -16.175 -1.405 1.00 0.00 C ATOM 499 NE ARG A 30 -9.678 -16.992 -2.560 1.00 0.00 N ATOM 500 CZ ARG A 30 -9.672 -18.326 -2.559 1.00 0.00 C ATOM 501 NH1 ARG A 30 -10.034 -19.000 -1.471 1.00 0.00 N ATOM 502 NH2 ARG A 30 -9.307 -18.988 -3.650 1.00 0.00 N ATOM 0 H ARG A 30 -14.133 -16.527 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.492 -16.345 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.193 -15.687 0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.631 -17.364 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.005 -17.007 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.989 -15.264 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.716 -15.149 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.526 -16.542 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.409 -16.513 -3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.319 -18.497 -0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.027 -20.020 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.031 -18.477 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.302 -20.008 -3.650 1.00 0.00 H new ATOM 516 N GLN A 31 -13.040 -13.793 1.631 1.00 0.00 N ATOM 517 CA GLN A 31 -13.185 -12.342 1.696 1.00 0.00 C ATOM 518 C GLN A 31 -11.821 -11.663 1.660 1.00 0.00 C ATOM 519 O GLN A 31 -10.812 -12.269 2.020 1.00 0.00 O ATOM 520 CB GLN A 31 -13.928 -11.940 2.973 1.00 0.00 C ATOM 521 CG GLN A 31 -15.231 -11.207 2.715 1.00 0.00 C ATOM 522 CD GLN A 31 -16.034 -10.975 3.982 1.00 0.00 C ATOM 523 OE1 GLN A 31 -15.708 -10.102 4.787 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.090 -11.759 4.168 1.00 0.00 N ATOM 0 H GLN A 31 -12.525 -14.196 2.414 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.761 -12.018 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.135 -12.835 3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.278 -11.306 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.016 -10.247 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.832 -11.780 2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.325 -12.470 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.666 -11.650 5.003 1.00 0.00 H new ATOM 533 N TRP A 32 -11.798 -10.405 1.233 1.00 0.00 N ATOM 534 CA TRP A 32 -10.550 -9.649 1.161 1.00 0.00 C ATOM 535 C TRP A 32 -10.798 -8.145 1.261 1.00 0.00 C ATOM 536 O TRP A 32 -11.721 -7.609 0.646 1.00 0.00 O ATOM 537 CB TRP A 32 -9.792 -9.965 -0.134 1.00 0.00 C ATOM 538 CG TRP A 32 -10.560 -9.637 -1.380 1.00 0.00 C ATOM 539 CD1 TRP A 32 -10.649 -8.421 -1.996 1.00 0.00 C ATOM 540 CD2 TRP A 32 -11.350 -10.542 -2.160 1.00 0.00 C ATOM 541 NE1 TRP A 32 -11.444 -8.514 -3.111 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.886 -9.806 -3.234 1.00 0.00 C ATOM 543 CE3 TRP A 32 -11.654 -11.900 -2.054 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.707 -10.388 -4.196 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -12.469 -12.476 -3.009 1.00 0.00 C ATOM 546 CH2 TRP A 32 -12.987 -11.720 -4.069 1.00 0.00 C ATOM 0 H TRP A 32 -12.624 -9.888 0.933 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.941 -9.953 2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.854 -9.410 -0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.535 -11.024 -0.145 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.164 -7.518 -1.655 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -11.669 -7.747 -3.745 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -11.259 -12.490 -1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.108 -9.808 -5.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -12.711 -13.526 -2.938 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -13.620 -12.199 -4.801 1.00 0.00 H new ATOM 557 N SER A 33 -9.950 -7.473 2.034 1.00 0.00 N ATOM 558 CA SER A 33 -10.046 -6.030 2.215 1.00 0.00 C ATOM 559 C SER A 33 -8.663 -5.398 2.097 1.00 0.00 C ATOM 560 O SER A 33 -7.770 -5.692 2.895 1.00 0.00 O ATOM 561 CB SER A 33 -10.664 -5.705 3.580 1.00 0.00 C ATOM 562 OG SER A 33 -10.655 -4.309 3.828 1.00 0.00 O ATOM 0 H SER A 33 -9.184 -7.909 2.548 1.00 0.00 H new ATOM 0 HA SER A 33 -10.689 -5.619 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.688 -6.077 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.110 -6.220 4.365 1.00 0.00 H new ATOM 0 HG SER A 33 -11.056 -4.130 4.704 1.00 0.00 H new ATOM 568 N ILE A 34 -8.487 -4.538 1.094 1.00 0.00 N ATOM 569 CA ILE A 34 -7.204 -3.876 0.873 1.00 0.00 C ATOM 570 C ILE A 34 -7.367 -2.366 0.740 1.00 0.00 C ATOM 571 O ILE A 34 -8.334 -1.883 0.150 1.00 0.00 O ATOM 572 CB ILE A 34 -6.489 -4.404 -0.391 1.00 0.00 C ATOM 573 CG1 ILE A 34 -6.635 -5.926 -0.511 1.00 0.00 C ATOM 574 CG2 ILE A 34 -5.020 -4.004 -0.366 1.00 0.00 C ATOM 575 CD1 ILE A 34 -5.860 -6.704 0.533 1.00 0.00 C ATOM 0 H ILE A 34 -9.214 -4.285 0.425 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.597 -4.103 1.749 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.960 -3.955 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.691 -6.187 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.302 -6.236 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.525 -4.381 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.939 -2.917 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.543 -4.427 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.015 -7.772 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.798 -6.475 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.209 -6.425 1.527 1.00 0.00 H new ATOM 587 N GLU A 35 -6.402 -1.627 1.283 1.00 0.00 N ATOM 588 CA GLU A 35 -6.416 -0.169 1.222 1.00 0.00 C ATOM 589 C GLU A 35 -4.992 0.385 1.253 1.00 0.00 C ATOM 590 O GLU A 35 -4.118 -0.160 1.931 1.00 0.00 O ATOM 591 CB GLU A 35 -7.234 0.406 2.380 1.00 0.00 C ATOM 592 CG GLU A 35 -6.735 -0.027 3.752 1.00 0.00 C ATOM 593 CD GLU A 35 -7.657 0.403 4.875 1.00 0.00 C ATOM 594 OE1 GLU A 35 -8.617 -0.341 5.174 1.00 0.00 O ATOM 595 OE2 GLU A 35 -7.417 1.479 5.463 1.00 0.00 O ATOM 0 H GLU A 35 -5.597 -2.018 1.772 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.882 0.130 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.215 1.494 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.274 0.099 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.630 -1.112 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.743 0.392 3.922 1.00 0.00 H new ATOM 602 N ILE A 36 -4.769 1.464 0.506 1.00 0.00 N ATOM 603 CA ILE A 36 -3.456 2.097 0.433 1.00 0.00 C ATOM 604 C ILE A 36 -3.555 3.596 0.706 1.00 0.00 C ATOM 605 O ILE A 36 -4.417 4.277 0.152 1.00 0.00 O ATOM 606 CB ILE A 36 -2.807 1.892 -0.955 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.837 0.414 -1.361 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.378 2.416 -0.956 1.00 0.00 C ATOM 609 CD1 ILE A 36 -4.155 -0.028 -1.962 1.00 0.00 C ATOM 0 H ILE A 36 -5.485 1.919 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.836 1.624 1.195 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.385 2.456 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.040 0.228 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.624 -0.198 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.935 2.264 -1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.380 3.480 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.793 1.880 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.099 -1.085 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.955 0.124 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.361 0.558 -2.858 1.00 0.00 H new ATOM 621 N VAL A 37 -2.664 4.106 1.554 1.00 0.00 N ATOM 622 CA VAL A 37 -2.651 5.527 1.891 1.00 0.00 C ATOM 623 C VAL A 37 -1.217 6.045 2.018 1.00 0.00 C ATOM 624 O VAL A 37 -0.395 5.448 2.720 1.00 0.00 O ATOM 625 CB VAL A 37 -3.412 5.809 3.205 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.571 7.308 3.423 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.771 5.120 3.202 1.00 0.00 C ATOM 0 H VAL A 37 -1.942 3.556 2.020 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.155 6.050 1.078 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.827 5.403 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.110 7.485 4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.587 7.774 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.130 7.739 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.289 5.333 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.365 5.490 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.633 4.044 3.100 1.00 0.00 H new ATOM 637 N LEU A 38 -0.922 7.153 1.332 1.00 0.00 N ATOM 638 CA LEU A 38 0.416 7.747 1.369 1.00 0.00 C ATOM 639 C LEU A 38 0.382 9.242 1.024 1.00 0.00 C ATOM 640 O LEU A 38 -0.674 9.792 0.708 1.00 0.00 O ATOM 641 CB LEU A 38 1.365 6.997 0.416 1.00 0.00 C ATOM 642 CG LEU A 38 0.793 6.626 -0.964 1.00 0.00 C ATOM 643 CD1 LEU A 38 -0.093 5.392 -0.871 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.027 7.794 -1.575 1.00 0.00 C ATOM 0 H LEU A 38 -1.590 7.655 0.746 1.00 0.00 H new ATOM 0 HA LEU A 38 0.791 7.651 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.253 7.611 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.691 6.081 0.909 1.00 0.00 H new ATOM 0 HG LEU A 38 1.632 6.395 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.485 5.150 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.492 4.552 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.921 5.589 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.365 7.502 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.799 8.070 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.697 8.646 -1.694 1.00 0.00 H new ATOM 656 N LEU A 39 1.551 9.892 1.093 1.00 0.00 N ATOM 657 CA LEU A 39 1.667 11.322 0.793 1.00 0.00 C ATOM 658 C LEU A 39 2.315 11.550 -0.573 1.00 0.00 C ATOM 659 O LEU A 39 2.958 10.656 -1.121 1.00 0.00 O ATOM 660 CB LEU A 39 2.496 12.033 1.871 1.00 0.00 C ATOM 661 CG LEU A 39 1.765 12.335 3.183 1.00 0.00 C ATOM 662 CD1 LEU A 39 0.461 13.072 2.920 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.510 11.053 3.961 1.00 0.00 C ATOM 0 H LEU A 39 2.431 9.447 1.355 1.00 0.00 H new ATOM 0 HA LEU A 39 0.659 11.736 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.368 11.419 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.865 12.972 1.458 1.00 0.00 H new ATOM 0 HG LEU A 39 2.403 12.981 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.040 13.275 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.671 14.013 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.184 12.457 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.990 11.288 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.897 10.380 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.461 10.571 4.190 1.00 0.00 H new ATOM 675 N ASP A 40 2.150 12.759 -1.109 1.00 0.00 N ATOM 676 CA ASP A 40 2.722 13.114 -2.406 1.00 0.00 C ATOM 677 C ASP A 40 2.923 14.623 -2.504 1.00 0.00 C ATOM 678 O ASP A 40 4.046 15.100 -2.674 1.00 0.00 O ATOM 679 CB ASP A 40 1.811 12.630 -3.540 1.00 0.00 C ATOM 680 CG ASP A 40 2.218 11.269 -4.068 1.00 0.00 C ATOM 681 OD1 ASP A 40 3.222 11.194 -4.805 1.00 0.00 O ATOM 682 OD2 ASP A 40 1.536 10.275 -3.743 1.00 0.00 O ATOM 0 H ASP A 40 1.623 13.510 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 40 3.692 12.625 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.783 12.585 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.833 13.354 -4.354 1.00 0.00 H new ATOM 687 N ASP A 41 1.826 15.368 -2.373 1.00 0.00 N ATOM 688 CA ASP A 41 1.873 16.827 -2.430 1.00 0.00 C ATOM 689 C ASP A 41 2.389 17.428 -1.116 1.00 0.00 C ATOM 690 O ASP A 41 2.671 18.626 -1.049 1.00 0.00 O ATOM 691 CB ASP A 41 0.486 17.391 -2.748 1.00 0.00 C ATOM 692 CG ASP A 41 0.264 17.577 -4.235 1.00 0.00 C ATOM 693 OD1 ASP A 41 0.095 16.561 -4.942 1.00 0.00 O ATOM 694 OD2 ASP A 41 0.260 18.739 -4.694 1.00 0.00 O ATOM 0 H ASP A 41 0.893 14.984 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 41 2.568 17.102 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.276 16.720 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.362 18.349 -2.242 1.00 0.00 H new ATOM 699 N GLU A 42 2.513 16.599 -0.076 1.00 0.00 N ATOM 700 CA GLU A 42 2.996 17.067 1.224 1.00 0.00 C ATOM 701 C GLU A 42 4.512 16.896 1.355 1.00 0.00 C ATOM 702 O GLU A 42 5.163 17.645 2.088 1.00 0.00 O ATOM 703 CB GLU A 42 2.294 16.316 2.360 1.00 0.00 C ATOM 704 CG GLU A 42 0.829 16.696 2.537 1.00 0.00 C ATOM 705 CD GLU A 42 0.639 17.981 3.327 1.00 0.00 C ATOM 706 OE1 GLU A 42 1.358 18.178 4.332 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.231 18.790 2.942 1.00 0.00 O ATOM 0 H GLU A 42 2.287 15.605 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 42 2.763 18.130 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.361 15.245 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.825 16.509 3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.367 16.808 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.308 15.884 3.044 1.00 0.00 H new ATOM 714 N GLY A 43 5.070 15.913 0.648 1.00 0.00 N ATOM 715 CA GLY A 43 6.501 15.674 0.710 1.00 0.00 C ATOM 716 C GLY A 43 7.162 15.767 -0.649 1.00 0.00 C ATOM 717 O GLY A 43 7.976 14.911 -1.008 1.00 0.00 O ATOM 0 H GLY A 43 4.556 15.280 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.959 16.398 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.683 14.686 1.133 1.00 0.00 H new ATOM 721 N LYS A 44 6.808 16.811 -1.400 1.00 0.00 N ATOM 722 CA LYS A 44 7.357 17.044 -2.733 1.00 0.00 C ATOM 723 C LYS A 44 6.807 16.040 -3.742 1.00 0.00 C ATOM 724 O LYS A 44 7.218 14.877 -3.770 1.00 0.00 O ATOM 725 CB LYS A 44 8.887 16.989 -2.710 1.00 0.00 C ATOM 726 CG LYS A 44 9.540 18.279 -3.179 1.00 0.00 C ATOM 727 CD LYS A 44 10.706 18.011 -4.120 1.00 0.00 C ATOM 728 CE LYS A 44 12.024 17.926 -3.367 1.00 0.00 C ATOM 729 NZ LYS A 44 12.980 16.984 -4.017 1.00 0.00 N ATOM 0 H LYS A 44 6.134 17.516 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 44 7.050 18.042 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.221 16.768 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.224 16.168 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.799 18.899 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.892 18.844 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.533 17.079 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.763 18.804 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.474 18.917 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.836 17.603 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.955 17.289 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.834 16.026 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.818 16.979 -5.044 1.00 0.00 H new ATOM 743 N GLU A 45 5.871 16.500 -4.569 1.00 0.00 N ATOM 744 CA GLU A 45 5.256 15.653 -5.584 1.00 0.00 C ATOM 745 C GLU A 45 5.931 15.841 -6.949 1.00 0.00 C ATOM 746 O GLU A 45 5.276 15.784 -7.990 1.00 0.00 O ATOM 747 CB GLU A 45 3.759 15.962 -5.689 1.00 0.00 C ATOM 748 CG GLU A 45 2.912 14.760 -6.077 1.00 0.00 C ATOM 749 CD GLU A 45 2.680 14.662 -7.572 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.877 15.458 -8.103 1.00 0.00 O ATOM 751 OE2 GLU A 45 3.307 13.794 -8.213 1.00 0.00 O ATOM 0 H GLU A 45 5.522 17.458 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 45 5.388 14.614 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.409 16.348 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.611 16.752 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.401 13.850 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.950 14.820 -5.568 1.00 0.00 H new ATOM 758 N ILE A 46 7.248 16.058 -6.941 1.00 0.00 N ATOM 759 CA ILE A 46 7.997 16.243 -8.181 1.00 0.00 C ATOM 760 C ILE A 46 9.068 15.165 -8.326 1.00 0.00 C ATOM 761 O ILE A 46 10.116 15.238 -7.684 1.00 0.00 O ATOM 762 CB ILE A 46 8.672 17.633 -8.237 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.667 18.741 -7.894 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.285 17.873 -9.610 1.00 0.00 C ATOM 765 CD1 ILE A 46 8.000 19.479 -6.615 1.00 0.00 C ATOM 0 H ILE A 46 7.813 16.109 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 46 7.283 16.168 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 46 9.469 17.655 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.629 19.454 -8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.672 18.304 -7.804 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.756 18.856 -9.632 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.034 17.107 -9.813 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.505 17.828 -10.370 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.249 20.248 -6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.010 18.777 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.981 19.945 -6.708 1.00 0.00 H new ATOM 777 N PRO A 47 8.818 14.142 -9.171 1.00 0.00 N ATOM 778 CA PRO A 47 9.767 13.044 -9.395 1.00 0.00 C ATOM 779 C PRO A 47 10.994 13.480 -10.197 1.00 0.00 C ATOM 780 O PRO A 47 10.922 14.409 -11.004 1.00 0.00 O ATOM 781 CB PRO A 47 8.948 12.019 -10.186 1.00 0.00 C ATOM 782 CG PRO A 47 7.897 12.819 -10.874 1.00 0.00 C ATOM 783 CD PRO A 47 7.583 13.975 -9.964 1.00 0.00 C ATOM 0 HA PRO A 47 10.167 12.660 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.571 11.484 -10.903 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.507 11.271 -9.527 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.249 13.172 -11.843 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.008 12.216 -11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.345 14.876 -10.529 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.724 13.762 -9.328 1.00 0.00 H new ATOM 791 N ALA A 48 12.118 12.800 -9.964 1.00 0.00 N ATOM 792 CA ALA A 48 13.366 13.109 -10.660 1.00 0.00 C ATOM 793 C ALA A 48 14.169 11.840 -10.942 1.00 0.00 C ATOM 794 O ALA A 48 14.286 11.420 -12.093 1.00 0.00 O ATOM 795 CB ALA A 48 14.194 14.099 -9.851 1.00 0.00 C ATOM 0 H ALA A 48 12.188 12.031 -9.298 1.00 0.00 H new ATOM 0 HA ALA A 48 13.115 13.565 -11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.120 14.319 -10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.627 15.020 -9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.428 13.668 -8.878 1.00 0.00 H new ATOM 801 N THR A 49 14.712 11.229 -9.886 1.00 0.00 N ATOM 802 CA THR A 49 15.495 10.001 -10.029 1.00 0.00 C ATOM 803 C THR A 49 14.574 8.784 -10.073 1.00 0.00 C ATOM 804 O THR A 49 14.579 8.025 -11.043 1.00 0.00 O ATOM 805 CB THR A 49 16.507 9.863 -8.886 1.00 0.00 C ATOM 806 OG1 THR A 49 15.915 10.194 -7.638 1.00 0.00 O ATOM 807 CG2 THR A 49 17.732 10.735 -9.061 1.00 0.00 C ATOM 0 H THR A 49 14.624 11.564 -8.926 1.00 0.00 H new ATOM 0 HA THR A 49 16.046 10.056 -10.968 1.00 0.00 H new ATOM 0 HB THR A 49 16.818 8.819 -8.906 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.580 10.097 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.406 10.588 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.243 10.464 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.430 11.781 -9.107 1.00 0.00 H new ATOM 815 N ILE A 50 13.774 8.611 -9.021 1.00 0.00 N ATOM 816 CA ILE A 50 12.836 7.496 -8.950 1.00 0.00 C ATOM 817 C ILE A 50 11.438 7.990 -8.559 1.00 0.00 C ATOM 818 O ILE A 50 10.622 8.272 -9.435 1.00 0.00 O ATOM 819 CB ILE A 50 13.314 6.398 -7.969 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.686 5.867 -8.395 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.301 5.259 -7.911 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.848 6.543 -7.698 1.00 0.00 C ATOM 0 H ILE A 50 13.758 9.228 -8.209 1.00 0.00 H new ATOM 0 HA ILE A 50 12.789 7.050 -9.943 1.00 0.00 H new ATOM 0 HB ILE A 50 13.402 6.835 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.728 4.796 -8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.796 5.995 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.652 4.495 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.340 5.644 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.187 4.823 -8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.785 6.113 -8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.833 7.611 -7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.764 6.393 -6.622 1.00 0.00 H new ATOM 834 N PHE A 51 11.172 8.106 -7.249 1.00 0.00 N ATOM 835 CA PHE A 51 9.875 8.580 -6.751 1.00 0.00 C ATOM 836 C PHE A 51 8.707 7.892 -7.467 1.00 0.00 C ATOM 837 O PHE A 51 8.212 8.378 -8.488 1.00 0.00 O ATOM 838 CB PHE A 51 9.783 10.103 -6.906 1.00 0.00 C ATOM 839 CG PHE A 51 8.561 10.723 -6.274 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.358 10.785 -6.964 1.00 0.00 C ATOM 841 CD2 PHE A 51 8.619 11.256 -4.994 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.243 11.365 -6.390 1.00 0.00 C ATOM 843 CE2 PHE A 51 7.505 11.835 -4.416 1.00 0.00 C ATOM 844 CZ PHE A 51 6.316 11.891 -5.116 1.00 0.00 C ATOM 0 H PHE A 51 11.842 7.877 -6.514 1.00 0.00 H new ATOM 0 HA PHE A 51 9.803 8.322 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.673 10.555 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.792 10.349 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.293 10.375 -7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.547 11.218 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.314 11.407 -6.939 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.564 12.243 -3.418 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.445 12.345 -4.668 1.00 0.00 H new ATOM 854 N ASP A 52 8.270 6.760 -6.917 1.00 0.00 N ATOM 855 CA ASP A 52 7.158 5.993 -7.482 1.00 0.00 C ATOM 856 C ASP A 52 6.810 4.809 -6.585 1.00 0.00 C ATOM 857 O ASP A 52 7.695 4.083 -6.133 1.00 0.00 O ATOM 858 CB ASP A 52 7.503 5.491 -8.890 1.00 0.00 C ATOM 859 CG ASP A 52 6.277 5.073 -9.692 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.147 5.445 -9.307 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.448 4.368 -10.706 1.00 0.00 O ATOM 0 H ASP A 52 8.672 6.350 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 52 6.294 6.655 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.033 6.276 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.184 4.644 -8.811 1.00 0.00 H new ATOM 866 N LYS A 53 5.518 4.614 -6.334 1.00 0.00 N ATOM 867 CA LYS A 53 5.066 3.510 -5.494 1.00 0.00 C ATOM 868 C LYS A 53 4.141 2.583 -6.275 1.00 0.00 C ATOM 869 O LYS A 53 3.426 3.017 -7.180 1.00 0.00 O ATOM 870 CB LYS A 53 4.344 4.023 -4.243 1.00 0.00 C ATOM 871 CG LYS A 53 4.964 5.265 -3.615 1.00 0.00 C ATOM 872 CD LYS A 53 3.894 6.173 -3.032 1.00 0.00 C ATOM 873 CE LYS A 53 4.379 6.895 -1.787 1.00 0.00 C ATOM 874 NZ LYS A 53 3.784 8.256 -1.669 1.00 0.00 N ATOM 0 H LYS A 53 4.769 5.203 -6.698 1.00 0.00 H new ATOM 0 HA LYS A 53 5.950 2.954 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.308 4.242 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.325 3.227 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.662 4.971 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.538 5.809 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.592 6.905 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.011 5.583 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.123 6.309 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.466 6.975 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.044 8.670 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.144 8.860 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.748 8.189 -1.738 1.00 0.00 H new ATOM 888 N VAL A 54 4.159 1.304 -5.911 1.00 0.00 N ATOM 889 CA VAL A 54 3.326 0.303 -6.567 1.00 0.00 C ATOM 890 C VAL A 54 2.786 -0.696 -5.548 1.00 0.00 C ATOM 891 O VAL A 54 3.551 -1.423 -4.913 1.00 0.00 O ATOM 892 CB VAL A 54 4.104 -0.465 -7.660 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.152 -1.283 -8.521 1.00 0.00 C ATOM 894 CG2 VAL A 54 4.916 0.493 -8.521 1.00 0.00 C ATOM 0 H VAL A 54 4.745 0.936 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 54 2.500 0.836 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 54 4.796 -1.149 -7.167 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.719 -1.816 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.621 -2.001 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.433 -0.619 -9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.455 -0.070 -9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.247 1.206 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.629 1.030 -7.895 1.00 0.00 H new ATOM 904 N ILE A 55 1.463 -0.720 -5.395 1.00 0.00 N ATOM 905 CA ILE A 55 0.820 -1.627 -4.450 1.00 0.00 C ATOM 906 C ILE A 55 0.173 -2.805 -5.169 1.00 0.00 C ATOM 907 O ILE A 55 -0.452 -2.642 -6.221 1.00 0.00 O ATOM 908 CB ILE A 55 -0.253 -0.914 -3.601 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.233 0.473 -3.163 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.618 -1.767 -2.391 1.00 0.00 C ATOM 911 CD1 ILE A 55 -0.342 1.606 -3.989 1.00 0.00 C ATOM 0 H ILE A 55 0.818 -0.123 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 55 1.608 -1.988 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.146 -0.779 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.030 0.627 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.321 0.504 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.376 -1.254 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.009 -2.727 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.270 -1.931 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.046 2.557 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.057 1.476 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.429 1.601 -3.906 1.00 0.00 H new ATOM 923 N TYR A 56 0.328 -3.991 -4.587 1.00 0.00 N ATOM 924 CA TYR A 56 -0.233 -5.211 -5.153 1.00 0.00 C ATOM 925 C TYR A 56 -0.966 -6.018 -4.085 1.00 0.00 C ATOM 926 O TYR A 56 -0.501 -6.126 -2.948 1.00 0.00 O ATOM 927 CB TYR A 56 0.872 -6.061 -5.784 1.00 0.00 C ATOM 928 CG TYR A 56 1.133 -5.730 -7.233 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.161 -5.954 -8.200 1.00 0.00 C ATOM 930 CD2 TYR A 56 2.349 -5.192 -7.638 1.00 0.00 C ATOM 931 CE1 TYR A 56 0.392 -5.655 -9.528 1.00 0.00 C ATOM 932 CE2 TYR A 56 2.588 -4.889 -8.963 1.00 0.00 C ATOM 933 CZ TYR A 56 1.607 -5.121 -9.905 1.00 0.00 C ATOM 934 OH TYR A 56 1.842 -4.819 -11.226 1.00 0.00 O ATOM 0 H TYR A 56 0.842 -4.132 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.949 -4.929 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.793 -5.925 -5.217 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.601 -7.114 -5.703 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.792 -6.369 -7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.119 -5.008 -6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.374 -5.838 -10.267 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.539 -4.472 -9.261 1.00 0.00 H new ATOM 0 HH TYR A 56 2.745 -4.450 -11.322 1.00 0.00 H new ATOM 944 N HIS A 57 -2.115 -6.580 -4.457 1.00 0.00 N ATOM 945 CA HIS A 57 -2.912 -7.373 -3.528 1.00 0.00 C ATOM 946 C HIS A 57 -3.784 -8.383 -4.272 1.00 0.00 C ATOM 947 O HIS A 57 -4.649 -7.999 -5.063 1.00 0.00 O ATOM 948 CB HIS A 57 -3.785 -6.460 -2.653 1.00 0.00 C ATOM 949 CG HIS A 57 -4.410 -5.310 -3.388 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.981 -4.008 -3.251 1.00 0.00 N ATOM 951 CD2 HIS A 57 -5.444 -5.274 -4.264 1.00 0.00 C ATOM 952 CE1 HIS A 57 -4.723 -3.221 -4.008 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.616 -3.963 -4.636 1.00 0.00 N ATOM 0 H HIS A 57 -2.512 -6.500 -5.393 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.226 -7.925 -2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.575 -7.059 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.176 -6.067 -1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.024 -6.118 -4.606 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.617 -2.150 -4.098 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.319 -3.619 -5.290 1.00 0.00 H new ATOM 962 N LEU A 58 -3.536 -9.674 -4.017 1.00 0.00 N ATOM 963 CA LEU A 58 -4.281 -10.766 -4.653 1.00 0.00 C ATOM 964 C LEU A 58 -4.355 -10.585 -6.172 1.00 0.00 C ATOM 965 O LEU A 58 -3.583 -9.815 -6.751 1.00 0.00 O ATOM 966 CB LEU A 58 -5.687 -10.901 -4.031 1.00 0.00 C ATOM 967 CG LEU A 58 -6.703 -9.813 -4.406 1.00 0.00 C ATOM 968 CD1 LEU A 58 -8.072 -10.425 -4.671 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.793 -8.764 -3.306 1.00 0.00 C ATOM 0 H LEU A 58 -2.816 -9.989 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.740 -11.694 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.098 -11.868 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.582 -10.912 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.361 -9.327 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.778 -9.637 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.999 -11.137 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.420 -10.939 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.518 -8.001 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.109 -9.238 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.816 -8.301 -3.164 1.00 0.00 H new ATOM 1071 N PRO A 65 -4.521 -3.551 -10.149 1.00 0.00 N ATOM 1072 CA PRO A 65 -3.205 -3.083 -9.691 1.00 0.00 C ATOM 1073 C PRO A 65 -3.248 -1.655 -9.149 1.00 0.00 C ATOM 1074 O PRO A 65 -4.170 -0.891 -9.452 1.00 0.00 O ATOM 1075 CB PRO A 65 -2.327 -3.150 -10.950 1.00 0.00 C ATOM 1076 CG PRO A 65 -3.063 -4.038 -11.893 1.00 0.00 C ATOM 1077 CD PRO A 65 -4.520 -3.844 -11.591 1.00 0.00 C ATOM 0 HA PRO A 65 -2.831 -3.691 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.177 -2.159 -11.378 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.340 -3.551 -10.721 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.841 -3.778 -12.928 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.771 -5.079 -11.757 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.947 -3.025 -12.170 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.103 -4.736 -11.822 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.250 -1.305 -8.341 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.171 0.025 -7.748 1.00 0.00 C ATOM 1087 C ASN A 66 -0.848 0.708 -8.084 1.00 0.00 C ATOM 1088 O ASN A 66 0.212 0.080 -8.057 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.337 -0.064 -6.229 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.367 0.913 -5.697 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -3.143 2.123 -5.687 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.504 0.391 -5.250 1.00 0.00 N ATOM 0 H ASN A 66 -1.484 -1.927 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.979 0.625 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.630 -1.078 -5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.377 0.129 -5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.234 1.000 -4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.647 -0.619 -5.277 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.922 2.003 -8.390 1.00 0.00 N ATOM 1100 CA ARG A 67 0.261 2.792 -8.724 1.00 0.00 C ATOM 1101 C ARG A 67 0.153 4.194 -8.137 1.00 0.00 C ATOM 1102 O ARG A 67 -0.836 4.895 -8.366 1.00 0.00 O ATOM 1103 CB ARG A 67 0.438 2.876 -10.243 1.00 0.00 C ATOM 1104 CG ARG A 67 1.839 2.514 -10.712 1.00 0.00 C ATOM 1105 CD ARG A 67 1.925 1.054 -11.130 1.00 0.00 C ATOM 1106 NE ARG A 67 2.953 0.837 -12.145 1.00 0.00 N ATOM 1107 CZ ARG A 67 2.853 1.255 -13.410 1.00 0.00 C ATOM 1108 NH1 ARG A 67 1.774 1.921 -13.817 1.00 0.00 N ATOM 1109 NH2 ARG A 67 3.836 1.014 -14.268 1.00 0.00 N ATOM 0 H ARG A 67 -1.795 2.530 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 67 1.132 2.297 -8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.280 2.210 -10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.203 3.888 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.119 3.151 -11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.553 2.708 -9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.142 0.439 -10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.959 0.730 -11.517 1.00 0.00 H new ATOM 0 HE ARG A 67 3.798 0.336 -11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.017 2.115 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.705 2.237 -14.784 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.668 0.510 -13.962 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.760 1.333 -15.234 1.00 0.00 H new ATOM 1123 N THR A 68 1.167 4.599 -7.376 1.00 0.00 N ATOM 1124 CA THR A 68 1.173 5.918 -6.755 1.00 0.00 C ATOM 1125 C THR A 68 2.144 6.860 -7.460 1.00 0.00 C ATOM 1126 O THR A 68 3.362 6.759 -7.290 1.00 0.00 O ATOM 1127 CB THR A 68 1.530 5.815 -5.272 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.983 4.641 -4.698 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.039 6.995 -4.461 1.00 0.00 C ATOM 0 H THR A 68 1.992 4.034 -7.176 1.00 0.00 H new ATOM 0 HA THR A 68 0.168 6.330 -6.850 1.00 0.00 H new ATOM 0 HB THR A 68 2.619 5.794 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.226 4.597 -3.750 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.323 6.863 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.486 7.912 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.046 7.061 -4.536 1.00 0.00 H new ATOM 1137 N PHE A 69 1.588 7.781 -8.241 1.00 0.00 N ATOM 1138 CA PHE A 69 2.380 8.763 -8.973 1.00 0.00 C ATOM 1139 C PHE A 69 1.770 10.156 -8.809 1.00 0.00 C ATOM 1140 O PHE A 69 2.438 11.085 -8.357 1.00 0.00 O ATOM 1141 CB PHE A 69 2.456 8.384 -10.458 1.00 0.00 C ATOM 1142 CG PHE A 69 3.646 8.964 -11.172 1.00 0.00 C ATOM 1143 CD1 PHE A 69 3.601 10.246 -11.697 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.809 8.225 -11.319 1.00 0.00 C ATOM 1145 CE1 PHE A 69 4.693 10.780 -12.354 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.905 8.754 -11.976 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.846 10.032 -12.494 1.00 0.00 C ATOM 0 H PHE A 69 0.582 7.868 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 69 3.391 8.774 -8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.485 7.298 -10.545 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.546 8.719 -10.956 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.702 10.835 -11.591 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.860 7.224 -10.916 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.645 11.781 -12.757 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.806 8.168 -12.084 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.700 10.447 -13.008 1.00 0.00 H new ATOM 1157 N THR A 70 0.491 10.281 -9.169 1.00 0.00 N ATOM 1158 CA THR A 70 -0.230 11.550 -9.058 1.00 0.00 C ATOM 1159 C THR A 70 -1.707 11.318 -8.709 1.00 0.00 C ATOM 1160 O THR A 70 -2.583 12.064 -9.150 1.00 0.00 O ATOM 1161 CB THR A 70 -0.118 12.336 -10.372 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.220 11.468 -11.491 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.179 13.103 -10.509 1.00 0.00 C ATOM 0 H THR A 70 -0.069 9.514 -9.542 1.00 0.00 H new ATOM 0 HA THR A 70 0.223 12.128 -8.253 1.00 0.00 H new ATOM 0 HB THR A 70 -0.942 13.049 -10.346 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.148 11.990 -12.317 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.189 13.634 -11.461 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.266 13.820 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.018 12.408 -10.473 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.980 10.273 -7.919 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.353 9.943 -7.524 1.00 0.00 C ATOM 1173 C ASP A 71 -3.487 9.814 -6.004 1.00 0.00 C ATOM 1174 O ASP A 71 -2.497 9.608 -5.299 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.796 8.642 -8.198 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.285 8.863 -9.616 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.460 9.237 -10.478 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.493 8.668 -9.864 1.00 0.00 O ATOM 0 H ASP A 71 -1.271 9.644 -7.542 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.997 10.760 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.962 7.940 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.591 8.184 -7.610 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.729 9.933 -5.480 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.009 9.830 -4.042 1.00 0.00 C ATOM 1185 C PRO A 72 -4.988 8.383 -3.541 1.00 0.00 C ATOM 1186 O PRO A 72 -4.832 7.449 -4.331 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.415 10.421 -3.922 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.059 10.118 -5.230 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.961 10.181 -6.259 1.00 0.00 C ATOM 0 HA PRO A 72 -4.259 10.343 -3.440 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.965 9.972 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.380 11.494 -3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.525 9.133 -5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.845 10.839 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.099 9.431 -7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.932 11.152 -6.754 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.147 8.179 -2.214 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.148 6.838 -1.606 1.00 0.00 C ATOM 1199 C PRO A 73 -6.200 5.909 -2.222 1.00 0.00 C ATOM 1200 O PRO A 73 -6.996 6.328 -3.064 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.466 7.113 -0.130 1.00 0.00 C ATOM 1202 CG PRO A 73 -5.063 8.530 0.090 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.337 9.238 -1.205 1.00 0.00 C ATOM 0 HA PRO A 73 -4.200 6.324 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.525 6.966 0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.915 6.439 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.630 8.976 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.009 8.600 0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.347 9.646 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.652 10.071 -1.361 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.196 4.646 -1.791 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.138 3.651 -2.291 1.00 0.00 C ATOM 1213 C PHE A 74 -7.669 2.803 -1.140 1.00 0.00 C ATOM 1214 O PHE A 74 -7.066 2.759 -0.068 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.456 2.754 -3.329 1.00 0.00 C ATOM 1216 CG PHE A 74 -7.077 2.822 -4.696 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.101 4.011 -5.406 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -7.635 1.691 -5.272 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.668 4.072 -6.665 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -8.204 1.747 -6.529 1.00 0.00 C ATOM 1221 CZ PHE A 74 -8.220 2.938 -7.226 1.00 0.00 C ATOM 0 H PHE A 74 -5.545 4.289 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.973 4.168 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.406 3.035 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.485 1.722 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.672 4.901 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.625 0.756 -4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.679 5.005 -7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.636 0.859 -6.966 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.664 2.983 -8.209 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.800 2.138 -1.362 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.404 1.305 -0.332 1.00 0.00 C ATOM 1233 C ARG A 75 -10.655 0.588 -0.852 1.00 0.00 C ATOM 1234 O ARG A 75 -11.718 1.196 -1.003 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.735 2.162 0.895 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.650 3.348 0.604 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.880 4.660 0.591 1.00 0.00 C ATOM 1238 NE ARG A 75 -10.759 5.816 0.407 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.349 6.998 -0.063 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -9.076 7.186 -0.403 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.215 7.997 -0.195 1.00 0.00 N ATOM 0 H ARG A 75 -9.313 2.161 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.688 0.535 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.206 1.531 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.805 2.533 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.139 3.203 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.437 3.395 1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.333 4.767 1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.140 4.637 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.744 5.713 0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.404 6.425 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.772 8.092 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.193 7.862 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.902 8.899 -0.554 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.516 -0.711 -1.132 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.626 -1.520 -1.639 1.00 0.00 C ATOM 1257 C ILE A 76 -11.633 -2.909 -0.995 1.00 0.00 C ATOM 1258 O ILE A 76 -10.598 -3.575 -0.927 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.557 -1.689 -3.175 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -11.374 -0.335 -3.868 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -12.810 -2.385 -3.690 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -9.939 -0.039 -4.237 1.00 0.00 C ATOM 0 H ILE A 76 -9.643 -1.225 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.541 -0.988 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.692 -2.309 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.986 -0.311 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.743 0.453 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.746 -2.496 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.895 -3.369 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.687 -1.789 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.882 0.935 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.326 -0.031 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.573 -0.807 -4.918 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.808 -3.341 -0.533 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.954 -4.654 0.095 1.00 0.00 C ATOM 1276 C GLU A 77 -14.180 -5.389 -0.454 1.00 0.00 C ATOM 1277 O GLU A 77 -15.298 -4.874 -0.393 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.062 -4.511 1.618 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.093 -3.486 2.073 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.949 -3.982 3.225 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -14.384 -4.523 4.199 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -16.187 -3.826 3.154 1.00 0.00 O ATOM 0 H GLU A 77 -13.672 -2.800 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.067 -5.242 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.315 -5.481 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.087 -4.231 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.581 -2.572 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.737 -3.228 1.233 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.961 -6.588 -1.000 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.051 -7.384 -1.571 1.00 0.00 C ATOM 1291 C GLU A 78 -14.934 -8.860 -1.183 1.00 0.00 C ATOM 1292 O GLU A 78 -13.901 -9.301 -0.675 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.057 -7.252 -3.096 1.00 0.00 C ATOM 1294 CG GLU A 78 -14.935 -5.815 -3.587 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.856 -5.514 -4.752 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -15.440 -5.733 -5.910 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -16.993 -5.059 -4.509 1.00 0.00 O ATOM 0 H GLU A 78 -13.043 -7.028 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.987 -7.000 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.234 -7.838 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.980 -7.683 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.161 -5.135 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.904 -5.624 -3.885 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.006 -9.617 -1.433 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.040 -11.046 -1.120 1.00 0.00 C ATOM 1306 C GLN A 79 -16.104 -11.881 -2.401 1.00 0.00 C ATOM 1307 O GLN A 79 -16.243 -11.340 -3.501 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.244 -11.374 -0.230 1.00 0.00 C ATOM 1309 CG GLN A 79 -17.529 -10.328 0.839 1.00 0.00 C ATOM 1310 CD GLN A 79 -18.814 -9.566 0.582 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.911 -10.091 0.777 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -18.687 -8.319 0.143 1.00 0.00 N ATOM 0 H GLN A 79 -16.865 -9.261 -1.853 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.124 -11.293 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -18.127 -11.486 -0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.073 -12.336 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.589 -10.815 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.697 -9.625 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.759 -7.923 -0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.517 -7.758 -0.046 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.001 -13.204 -2.248 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.049 -14.094 -3.398 1.00 0.00 C ATOM 1323 C GLY A 80 -14.780 -14.913 -3.546 1.00 0.00 C ATOM 1324 O GLY A 80 -14.329 -15.545 -2.591 1.00 0.00 O ATOM 0 H GLY A 80 -15.885 -13.672 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.902 -14.765 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.207 -13.507 -4.303 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.201 -14.900 -4.746 1.00 0.00 N ATOM 1329 CA TRP A 81 -12.970 -15.641 -5.013 1.00 0.00 C ATOM 1330 C TRP A 81 -11.837 -14.686 -5.386 1.00 0.00 C ATOM 1331 O TRP A 81 -11.854 -14.074 -6.456 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.191 -16.658 -6.137 1.00 0.00 C ATOM 1333 CG TRP A 81 -13.204 -18.082 -5.662 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -13.864 -18.577 -4.576 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -12.527 -19.196 -6.261 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -13.643 -19.927 -4.462 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -12.825 -20.332 -5.484 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -11.699 -19.345 -7.379 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -12.326 -21.596 -5.788 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -11.204 -20.602 -7.679 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -11.520 -21.712 -6.887 1.00 0.00 C ATOM 0 H TRP A 81 -14.565 -14.385 -5.548 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.690 -16.175 -4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.137 -16.440 -6.633 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.405 -16.539 -6.883 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -14.473 -17.991 -3.903 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.026 -20.531 -3.734 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.451 -18.495 -7.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.567 -22.454 -5.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.563 -20.729 -8.539 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.119 -22.680 -7.149 1.00 0.00 H new ATOM 1352 N GLY A 82 -10.861 -14.563 -4.490 1.00 0.00 N ATOM 1353 CA GLY A 82 -9.731 -13.680 -4.727 1.00 0.00 C ATOM 1354 C GLY A 82 -8.619 -13.886 -3.714 1.00 0.00 C ATOM 1355 O GLY A 82 -8.595 -13.230 -2.671 1.00 0.00 O ATOM 0 H GLY A 82 -10.833 -15.061 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.342 -13.852 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.068 -12.644 -4.689 1.00 0.00 H new ATOM 1359 N GLY A 83 -7.707 -14.809 -4.019 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.603 -15.099 -3.121 1.00 0.00 C ATOM 1361 C GLY A 83 -5.279 -15.230 -3.851 1.00 0.00 C ATOM 1362 O GLY A 83 -5.021 -16.245 -4.498 1.00 0.00 O ATOM 0 H GLY A 83 -7.715 -15.362 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.527 -14.307 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.810 -16.024 -2.582 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.442 -14.195 -3.753 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.138 -14.189 -4.413 1.00 0.00 C ATOM 1368 C PHE A 84 -2.136 -13.334 -3.629 1.00 0.00 C ATOM 1369 O PHE A 84 -2.519 -12.606 -2.710 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.289 -13.658 -5.847 1.00 0.00 C ATOM 1371 CG PHE A 84 -2.710 -14.554 -6.910 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.863 -15.932 -6.850 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -2.009 -14.010 -7.973 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -2.327 -16.746 -7.830 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -1.473 -14.818 -8.956 1.00 0.00 C ATOM 1376 CZ PHE A 84 -1.631 -16.188 -8.885 1.00 0.00 C ATOM 0 H PHE A 84 -4.646 -13.349 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.756 -15.209 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.348 -13.507 -6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.809 -12.682 -5.912 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.407 -16.373 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.880 -12.939 -8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.452 -17.817 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.930 -14.379 -9.780 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.212 -16.822 -9.652 1.00 0.00 H new ATOM 1386 N PRO A 85 -0.833 -13.422 -3.969 1.00 0.00 N ATOM 1387 CA PRO A 85 0.226 -12.665 -3.284 1.00 0.00 C ATOM 1388 C PRO A 85 0.006 -11.150 -3.298 1.00 0.00 C ATOM 1389 O PRO A 85 -0.914 -10.645 -3.943 1.00 0.00 O ATOM 1390 CB PRO A 85 1.488 -13.021 -4.072 1.00 0.00 C ATOM 1391 CG PRO A 85 1.179 -14.328 -4.714 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.286 -14.283 -5.035 1.00 0.00 C ATOM 0 HA PRO A 85 0.267 -12.924 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.718 -12.259 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.355 -13.098 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.774 -14.472 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.408 -15.157 -4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.470 -13.866 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.733 -15.277 -5.020 1.00 0.00 H new ATOM 1400 N LEU A 86 0.869 -10.440 -2.570 1.00 0.00 N ATOM 1401 CA LEU A 86 0.802 -8.986 -2.468 1.00 0.00 C ATOM 1402 C LEU A 86 2.205 -8.381 -2.494 1.00 0.00 C ATOM 1403 O LEU A 86 3.192 -9.072 -2.228 1.00 0.00 O ATOM 1404 CB LEU A 86 0.096 -8.575 -1.173 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.267 -9.230 -0.932 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.128 -10.432 -0.012 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.242 -8.222 -0.350 1.00 0.00 C ATOM 0 H LEU A 86 1.631 -10.858 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 86 0.236 -8.612 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.748 -8.813 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.036 -7.493 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.658 -9.576 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.107 -10.884 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.461 -11.164 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.716 -10.112 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.206 -8.702 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.856 -7.847 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.365 -7.392 -1.045 1.00 0.00 H new ATOM 1419 N ASP A 87 2.290 -7.089 -2.808 1.00 0.00 N ATOM 1420 CA ASP A 87 3.577 -6.399 -2.864 1.00 0.00 C ATOM 1421 C ASP A 87 3.401 -4.890 -2.708 1.00 0.00 C ATOM 1422 O ASP A 87 2.789 -4.239 -3.556 1.00 0.00 O ATOM 1423 CB ASP A 87 4.282 -6.713 -4.185 1.00 0.00 C ATOM 1424 CG ASP A 87 5.760 -6.376 -4.149 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.104 -5.189 -4.331 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.573 -7.299 -3.934 1.00 0.00 O ATOM 0 H ASP A 87 1.486 -6.501 -3.027 1.00 0.00 H new ATOM 0 HA ASP A 87 4.190 -6.755 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.159 -7.771 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.805 -6.154 -4.990 1.00 0.00 H new ATOM 1431 N ILE A 88 3.941 -4.338 -1.620 1.00 0.00 N ATOM 1432 CA ILE A 88 3.840 -2.903 -1.359 1.00 0.00 C ATOM 1433 C ILE A 88 5.212 -2.230 -1.424 1.00 0.00 C ATOM 1434 O ILE A 88 6.028 -2.372 -0.511 1.00 0.00 O ATOM 1435 CB ILE A 88 3.189 -2.611 0.014 1.00 0.00 C ATOM 1436 CG1 ILE A 88 3.770 -3.523 1.100 1.00 0.00 C ATOM 1437 CG2 ILE A 88 1.681 -2.781 -0.072 1.00 0.00 C ATOM 1438 CD1 ILE A 88 3.704 -2.933 2.490 1.00 0.00 C ATOM 0 H ILE A 88 4.451 -4.862 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 88 3.201 -2.490 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 88 3.411 -1.579 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.232 -4.471 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.810 -3.744 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.235 -2.573 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.278 -2.089 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.446 -3.804 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.133 -3.636 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.266 -2.000 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.664 -2.738 2.753 1.00 0.00 H new ATOM 1450 N SER A 89 5.456 -1.500 -2.513 1.00 0.00 N ATOM 1451 CA SER A 89 6.725 -0.803 -2.709 1.00 0.00 C ATOM 1452 C SER A 89 6.532 0.711 -2.656 1.00 0.00 C ATOM 1453 O SER A 89 5.574 1.243 -3.222 1.00 0.00 O ATOM 1454 CB SER A 89 7.349 -1.202 -4.050 1.00 0.00 C ATOM 1455 OG SER A 89 6.470 -0.923 -5.127 1.00 0.00 O ATOM 0 H SER A 89 4.788 -1.377 -3.274 1.00 0.00 H new ATOM 0 HA SER A 89 7.397 -1.093 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.286 -0.664 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.590 -2.265 -4.040 1.00 0.00 H new ATOM 0 HG SER A 89 5.581 -1.284 -4.926 1.00 0.00 H new ATOM 1461 N VAL A 90 7.442 1.399 -1.969 1.00 0.00 N ATOM 1462 CA VAL A 90 7.368 2.850 -1.837 1.00 0.00 C ATOM 1463 C VAL A 90 8.712 3.506 -2.149 1.00 0.00 C ATOM 1464 O VAL A 90 9.711 3.240 -1.479 1.00 0.00 O ATOM 1465 CB VAL A 90 6.922 3.265 -0.420 1.00 0.00 C ATOM 1466 CG1 VAL A 90 6.515 4.729 -0.396 1.00 0.00 C ATOM 1467 CG2 VAL A 90 5.781 2.383 0.066 1.00 0.00 C ATOM 0 H VAL A 90 8.239 0.973 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 90 6.626 3.193 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 90 7.766 3.132 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.203 5.004 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.362 5.347 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.688 4.888 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.482 2.693 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.933 2.479 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.110 1.344 0.091 1.00 0.00 H new ATOM 1477 N PHE A 91 8.724 4.362 -3.170 1.00 0.00 N ATOM 1478 CA PHE A 91 9.939 5.064 -3.579 1.00 0.00 C ATOM 1479 C PHE A 91 9.712 6.576 -3.612 1.00 0.00 C ATOM 1480 O PHE A 91 8.576 7.040 -3.755 1.00 0.00 O ATOM 1481 CB PHE A 91 10.404 4.569 -4.955 1.00 0.00 C ATOM 1482 CG PHE A 91 10.562 3.073 -5.041 1.00 0.00 C ATOM 1483 CD1 PHE A 91 11.151 2.364 -4.005 1.00 0.00 C ATOM 1484 CD2 PHE A 91 10.118 2.380 -6.154 1.00 0.00 C ATOM 1485 CE1 PHE A 91 11.293 0.992 -4.080 1.00 0.00 C ATOM 1486 CE2 PHE A 91 10.258 1.009 -6.235 1.00 0.00 C ATOM 1487 CZ PHE A 91 10.846 0.314 -5.196 1.00 0.00 C ATOM 0 H PHE A 91 7.902 4.586 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 91 10.716 4.851 -2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.687 4.893 -5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.356 5.040 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 91 11.503 2.890 -3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.657 2.918 -6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 91 11.753 0.451 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.908 0.480 -7.110 1.00 0.00 H new ATOM 0 HZ PHE A 91 10.956 -0.759 -5.257 1.00 0.00 H new ATOM 1497 N LEU A 92 10.797 7.337 -3.477 1.00 0.00 N ATOM 1498 CA LEU A 92 10.729 8.796 -3.486 1.00 0.00 C ATOM 1499 C LEU A 92 12.018 9.396 -4.054 1.00 0.00 C ATOM 1500 O LEU A 92 12.867 8.674 -4.583 1.00 0.00 O ATOM 1501 CB LEU A 92 10.458 9.336 -2.070 1.00 0.00 C ATOM 1502 CG LEU A 92 11.098 8.548 -0.924 1.00 0.00 C ATOM 1503 CD1 LEU A 92 11.223 9.421 0.317 1.00 0.00 C ATOM 1504 CD2 LEU A 92 10.286 7.297 -0.617 1.00 0.00 C ATOM 0 H LEU A 92 11.739 6.964 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 92 9.902 9.094 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.812 10.366 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.380 9.361 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 92 12.098 8.241 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.680 8.846 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.845 10.287 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.233 9.756 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.756 6.750 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.274 7.582 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.246 6.663 -1.503 1.00 0.00 H new ATOM 1516 N LEU A 93 12.155 10.720 -3.954 1.00 0.00 N ATOM 1517 CA LEU A 93 13.335 11.414 -4.468 1.00 0.00 C ATOM 1518 C LEU A 93 14.534 11.250 -3.536 1.00 0.00 C ATOM 1519 O LEU A 93 14.405 11.361 -2.315 1.00 0.00 O ATOM 1520 CB LEU A 93 13.033 12.902 -4.658 1.00 0.00 C ATOM 1521 CG LEU A 93 11.905 13.216 -5.643 1.00 0.00 C ATOM 1522 CD1 LEU A 93 11.065 14.382 -5.142 1.00 0.00 C ATOM 1523 CD2 LEU A 93 12.474 13.519 -7.020 1.00 0.00 C ATOM 0 H LEU A 93 11.463 11.332 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 93 13.587 10.966 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.778 13.331 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.941 13.400 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 93 11.261 12.340 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.268 14.590 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.629 14.128 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.695 15.265 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.659 13.740 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.140 14.379 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.031 12.655 -7.382 1.00 0.00 H new ATOM 1535 N GLU A 94 15.702 10.984 -4.133 1.00 0.00 N ATOM 1536 CA GLU A 94 16.949 10.803 -3.383 1.00 0.00 C ATOM 1537 C GLU A 94 16.931 9.528 -2.525 1.00 0.00 C ATOM 1538 O GLU A 94 17.822 9.327 -1.699 1.00 0.00 O ATOM 1539 CB GLU A 94 17.218 12.025 -2.499 1.00 0.00 C ATOM 1540 CG GLU A 94 18.695 12.352 -2.338 1.00 0.00 C ATOM 1541 CD GLU A 94 18.957 13.843 -2.260 1.00 0.00 C ATOM 1542 OE1 GLU A 94 18.383 14.503 -1.366 1.00 0.00 O ATOM 1543 OE2 GLU A 94 19.730 14.355 -3.096 1.00 0.00 O ATOM 0 H GLU A 94 15.809 10.889 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 94 17.752 10.696 -4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.708 12.889 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.784 11.852 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.073 11.873 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.250 11.933 -3.177 1.00 0.00 H new ATOM 1550 N LYS A 95 15.929 8.665 -2.733 1.00 0.00 N ATOM 1551 CA LYS A 95 15.817 7.413 -1.981 1.00 0.00 C ATOM 1552 C LYS A 95 15.909 7.654 -0.473 1.00 0.00 C ATOM 1553 O LYS A 95 16.933 7.372 0.154 1.00 0.00 O ATOM 1554 CB LYS A 95 16.907 6.436 -2.428 1.00 0.00 C ATOM 1555 CG LYS A 95 16.850 6.106 -3.912 1.00 0.00 C ATOM 1556 CD LYS A 95 15.950 4.914 -4.175 1.00 0.00 C ATOM 1557 CE LYS A 95 14.570 5.346 -4.646 1.00 0.00 C ATOM 1558 NZ LYS A 95 13.518 4.364 -4.264 1.00 0.00 N ATOM 0 H LYS A 95 15.186 8.812 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 95 14.838 6.982 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 95 17.883 6.861 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.816 5.514 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.484 6.971 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.854 5.895 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.407 4.272 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.855 4.321 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.329 6.320 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.578 5.466 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.053 4.002 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.952 3.574 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.813 4.829 -3.658 1.00 0.00 H new ATOM 1572 N ALA A 96 14.830 8.180 0.100 1.00 0.00 N ATOM 1573 CA ALA A 96 14.779 8.465 1.534 1.00 0.00 C ATOM 1574 C ALA A 96 13.866 7.488 2.280 1.00 0.00 C ATOM 1575 O ALA A 96 14.069 7.227 3.467 1.00 0.00 O ATOM 1576 CB ALA A 96 14.316 9.896 1.766 1.00 0.00 C ATOM 0 H ALA A 96 13.977 8.418 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 96 15.787 8.340 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.281 10.098 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.012 10.586 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.322 10.031 1.339 1.00 0.00 H new ATOM 1582 N GLY A 97 12.859 6.959 1.582 1.00 0.00 N ATOM 1583 CA GLY A 97 11.930 6.026 2.200 1.00 0.00 C ATOM 1584 C GLY A 97 11.714 4.775 1.367 1.00 0.00 C ATOM 1585 O GLY A 97 10.612 4.226 1.344 1.00 0.00 O ATOM 0 H GLY A 97 12.671 7.161 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.306 5.742 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.973 6.523 2.356 1.00 0.00 H new ATOM 1589 N GLU A 98 12.768 4.330 0.682 1.00 0.00 N ATOM 1590 CA GLU A 98 12.695 3.138 -0.156 1.00 0.00 C ATOM 1591 C GLU A 98 12.431 1.897 0.696 1.00 0.00 C ATOM 1592 O GLU A 98 13.351 1.344 1.303 1.00 0.00 O ATOM 1593 CB GLU A 98 13.998 2.971 -0.942 1.00 0.00 C ATOM 1594 CG GLU A 98 14.029 1.736 -1.827 1.00 0.00 C ATOM 1595 CD GLU A 98 15.228 1.715 -2.756 1.00 0.00 C ATOM 1596 OE1 GLU A 98 16.367 1.594 -2.259 1.00 0.00 O ATOM 1597 OE2 GLU A 98 15.026 1.835 -3.983 1.00 0.00 O ATOM 0 H GLU A 98 13.683 4.780 0.693 1.00 0.00 H new ATOM 0 HA GLU A 98 11.869 3.256 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.153 3.854 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.831 2.924 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.044 0.844 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.115 1.694 -2.419 1.00 0.00 H new ATOM 1604 N ARG A 99 11.170 1.470 0.747 1.00 0.00 N ATOM 1605 CA ARG A 99 10.792 0.301 1.532 1.00 0.00 C ATOM 1606 C ARG A 99 9.730 -0.530 0.816 1.00 0.00 C ATOM 1607 O ARG A 99 8.677 -0.015 0.437 1.00 0.00 O ATOM 1608 CB ARG A 99 10.280 0.732 2.908 1.00 0.00 C ATOM 1609 CG ARG A 99 10.727 -0.181 4.038 1.00 0.00 C ATOM 1610 CD ARG A 99 12.141 0.146 4.496 1.00 0.00 C ATOM 1611 NE ARG A 99 12.670 -0.870 5.405 1.00 0.00 N ATOM 1612 CZ ARG A 99 13.126 -2.062 5.006 1.00 0.00 C ATOM 1613 NH1 ARG A 99 13.126 -2.387 3.715 1.00 0.00 N ATOM 1614 NH2 ARG A 99 13.585 -2.929 5.901 1.00 0.00 N ATOM 0 H ARG A 99 10.396 1.916 0.255 1.00 0.00 H new ATOM 0 HA ARG A 99 11.679 -0.320 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.625 1.746 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.191 0.764 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.040 -0.084 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 99 10.682 -1.219 3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.793 0.230 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.146 1.116 4.994 1.00 0.00 H new ATOM 0 HE ARG A 99 12.692 -0.657 6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.777 -1.725 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.476 -3.298 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.589 -2.685 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.933 -3.839 5.598 1.00 0.00 H new ATOM 1628 N LYS A 100 10.015 -1.821 0.641 1.00 0.00 N ATOM 1629 CA LYS A 100 9.087 -2.734 -0.024 1.00 0.00 C ATOM 1630 C LYS A 100 8.896 -4.008 0.801 1.00 0.00 C ATOM 1631 O LYS A 100 9.869 -4.603 1.268 1.00 0.00 O ATOM 1632 CB LYS A 100 9.588 -3.086 -1.426 1.00 0.00 C ATOM 1633 CG LYS A 100 10.981 -3.701 -1.446 1.00 0.00 C ATOM 1634 CD LYS A 100 11.057 -4.878 -2.404 1.00 0.00 C ATOM 1635 CE LYS A 100 12.188 -5.827 -2.036 1.00 0.00 C ATOM 1636 NZ LYS A 100 11.827 -6.712 -0.890 1.00 0.00 N ATOM 0 H LYS A 100 10.883 -2.258 0.951 1.00 0.00 H new ATOM 0 HA LYS A 100 8.125 -2.230 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.887 -3.782 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.591 -2.184 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.709 -2.945 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.249 -4.030 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.110 -5.418 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.204 -4.512 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.442 -6.440 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.077 -5.250 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.626 -7.342 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.609 -6.129 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.994 -7.282 -1.141 1.00 0.00 H new ATOM 1650 N ILE A 101 7.639 -4.416 0.983 1.00 0.00 N ATOM 1651 CA ILE A 101 7.327 -5.615 1.761 1.00 0.00 C ATOM 1652 C ILE A 101 6.245 -6.460 1.081 1.00 0.00 C ATOM 1653 O ILE A 101 5.126 -5.992 0.868 1.00 0.00 O ATOM 1654 CB ILE A 101 6.853 -5.252 3.188 1.00 0.00 C ATOM 1655 CG1 ILE A 101 7.813 -4.249 3.841 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.732 -6.507 4.042 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.371 -2.808 3.699 1.00 0.00 C ATOM 0 H ILE A 101 6.823 -3.935 0.603 1.00 0.00 H new ATOM 0 HA ILE A 101 8.248 -6.194 1.822 1.00 0.00 H new ATOM 0 HB ILE A 101 5.871 -4.785 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.910 -4.488 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.802 -4.363 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.398 -6.235 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.009 -7.186 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.702 -6.999 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.097 -2.155 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.301 -2.551 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.396 -2.679 4.169 1.00 0.00 H new ATOM 1669 N PRO A 102 6.566 -7.720 0.731 1.00 0.00 N ATOM 1670 CA PRO A 102 5.623 -8.629 0.080 1.00 0.00 C ATOM 1671 C PRO A 102 4.766 -9.405 1.083 1.00 0.00 C ATOM 1672 O PRO A 102 5.203 -9.682 2.202 1.00 0.00 O ATOM 1673 CB PRO A 102 6.550 -9.568 -0.683 1.00 0.00 C ATOM 1674 CG PRO A 102 7.778 -9.660 0.165 1.00 0.00 C ATOM 1675 CD PRO A 102 7.878 -8.364 0.938 1.00 0.00 C ATOM 0 HA PRO A 102 4.900 -8.106 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.093 -10.547 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.781 -9.177 -1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.715 -10.510 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.663 -9.810 -0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.071 -8.544 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.691 -7.740 0.567 1.00 0.00 H new ATOM 1683 N HIS A 103 3.542 -9.747 0.678 1.00 0.00 N ATOM 1684 CA HIS A 103 2.620 -10.485 1.543 1.00 0.00 C ATOM 1685 C HIS A 103 1.849 -11.544 0.751 1.00 0.00 C ATOM 1686 O HIS A 103 1.939 -11.599 -0.475 1.00 0.00 O ATOM 1687 CB HIS A 103 1.639 -9.515 2.214 1.00 0.00 C ATOM 1688 CG HIS A 103 2.302 -8.456 3.042 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.945 -7.362 2.497 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.414 -8.325 4.385 1.00 0.00 C ATOM 1691 CE1 HIS A 103 3.421 -6.605 3.470 1.00 0.00 C ATOM 1692 NE2 HIS A 103 3.111 -7.167 4.623 1.00 0.00 N ATOM 0 H HIS A 103 3.166 -9.525 -0.244 1.00 0.00 H new ATOM 0 HA HIS A 103 3.206 -10.993 2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.034 -9.035 1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.957 -10.083 2.847 1.00 0.00 H new ATOM 0 HD1 HIS A 103 3.038 -7.169 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.027 -9.005 5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.970 -5.684 3.343 1.00 0.00 H new ATOM 1701 N ASP A 104 1.093 -12.387 1.462 1.00 0.00 N ATOM 1702 CA ASP A 104 0.306 -13.446 0.826 1.00 0.00 C ATOM 1703 C ASP A 104 -1.167 -13.340 1.221 1.00 0.00 C ATOM 1704 O ASP A 104 -1.488 -12.967 2.349 1.00 0.00 O ATOM 1705 CB ASP A 104 0.847 -14.822 1.216 1.00 0.00 C ATOM 1706 CG ASP A 104 2.304 -15.006 0.834 1.00 0.00 C ATOM 1707 OD1 ASP A 104 3.181 -14.540 1.590 1.00 0.00 O ATOM 1708 OD2 ASP A 104 2.566 -15.617 -0.224 1.00 0.00 O ATOM 0 H ASP A 104 1.010 -12.356 2.478 1.00 0.00 H new ATOM 0 HA ASP A 104 0.389 -13.323 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.737 -14.960 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.248 -15.594 0.733 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.064 -13.672 0.287 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.500 -13.611 0.552 1.00 0.00 C ATOM 1715 C LEU A 105 -4.188 -14.932 0.211 1.00 0.00 C ATOM 1716 O LEU A 105 -4.680 -15.118 -0.904 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.147 -12.468 -0.239 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.410 -11.886 0.395 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.055 -10.775 1.370 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.365 -11.378 -0.676 1.00 0.00 C ATOM 0 H LEU A 105 -1.820 -13.984 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.628 -13.425 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.416 -11.668 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.392 -12.829 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.912 -12.680 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.967 -10.373 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.415 -11.173 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.528 -9.981 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.257 -10.968 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.875 -10.600 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.648 -12.202 -1.332 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.236 -15.844 1.182 1.00 0.00 N ATOM 1733 CA ASN A 106 -4.882 -17.143 0.983 1.00 0.00 C ATOM 1734 C ASN A 106 -5.068 -17.884 2.309 1.00 0.00 C ATOM 1735 O ASN A 106 -4.895 -19.105 2.377 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.070 -18.003 0.006 1.00 0.00 C ATOM 1737 CG ASN A 106 -4.956 -18.868 -0.870 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -4.760 -20.079 -0.969 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -5.942 -18.251 -1.514 1.00 0.00 N ATOM 0 H ASN A 106 -3.837 -15.709 2.111 1.00 0.00 H new ATOM 0 HA ASN A 106 -5.869 -16.960 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.460 -17.356 -0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.385 -18.639 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.569 -18.784 -2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.071 -17.245 -1.405 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.422 -17.145 3.360 1.00 0.00 N ATOM 1747 CA PHE A 107 -5.631 -17.739 4.677 1.00 0.00 C ATOM 1748 C PHE A 107 -6.810 -17.093 5.398 1.00 0.00 C ATOM 1749 O PHE A 107 -6.846 -15.874 5.573 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.364 -17.607 5.530 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.161 -18.282 4.932 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -3.121 -19.659 4.784 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.071 -17.535 4.515 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -2.017 -20.279 4.233 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -0.964 -18.149 3.962 1.00 0.00 C ATOM 1756 CZ PHE A 107 -0.937 -19.523 3.821 1.00 0.00 C ATOM 0 H PHE A 107 -5.569 -16.136 3.324 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.858 -18.795 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.142 -16.550 5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.555 -18.030 6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.963 -20.255 5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.087 -16.461 4.624 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.998 -21.353 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.121 -17.556 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.073 -20.005 3.389 1.00 0.00 H new ATOM 1766 N LEU A 108 -7.769 -17.922 5.817 1.00 0.00 N ATOM 1767 CA LEU A 108 -8.950 -17.439 6.529 1.00 0.00 C ATOM 1768 C LEU A 108 -8.545 -16.661 7.782 1.00 0.00 C ATOM 1769 O LEU A 108 -7.735 -17.134 8.581 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.873 -18.605 6.908 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.175 -19.831 7.510 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.716 -20.124 8.902 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.346 -21.042 6.603 1.00 0.00 C ATOM 0 H LEU A 108 -7.749 -18.932 5.674 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.493 -16.769 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.613 -18.243 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.417 -18.919 6.017 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.110 -19.613 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.209 -20.997 9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.541 -19.264 9.549 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.786 -20.321 8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.844 -21.902 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.407 -21.262 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.909 -20.830 5.627 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.111 -15.464 7.933 1.00 0.00 N ATOM 1786 CA GLN A 109 -8.818 -14.594 9.072 1.00 0.00 C ATOM 1787 C GLN A 109 -7.401 -14.026 8.965 1.00 0.00 C ATOM 1788 O GLN A 109 -6.514 -14.369 9.751 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.009 -15.340 10.399 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.202 -14.847 11.204 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.524 -15.088 10.500 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -12.211 -14.147 10.103 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.891 -16.357 10.338 1.00 0.00 N ATOM 0 H GLN A 109 -9.782 -15.071 7.273 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.522 -13.762 9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.133 -16.404 10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.106 -15.234 11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -10.214 -15.348 12.172 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.088 -13.781 11.399 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.293 -17.109 10.682 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.770 -16.578 9.870 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.203 -13.145 7.985 1.00 0.00 N ATOM 1803 CA GLU A 110 -5.910 -12.514 7.765 1.00 0.00 C ATOM 1804 C GLU A 110 -5.915 -11.091 8.293 1.00 0.00 C ATOM 1805 O GLU A 110 -6.865 -10.337 8.063 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.550 -12.499 6.276 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.165 -11.918 5.994 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.099 -12.981 5.782 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.317 -14.147 6.179 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.037 -12.642 5.222 1.00 0.00 O ATOM 0 H GLU A 110 -7.928 -12.853 7.330 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.163 -13.098 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.595 -13.517 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.297 -11.918 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.218 -11.285 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.870 -11.279 6.826 1.00 0.00 H new ATOM 1817 N SER A 111 -4.845 -10.731 8.988 1.00 0.00 N ATOM 1818 CA SER A 111 -4.695 -9.396 9.550 1.00 0.00 C ATOM 1819 C SER A 111 -3.246 -8.931 9.402 1.00 0.00 C ATOM 1820 O SER A 111 -2.521 -8.777 10.387 1.00 0.00 O ATOM 1821 CB SER A 111 -5.125 -9.398 11.019 1.00 0.00 C ATOM 1822 OG SER A 111 -4.373 -10.335 11.774 1.00 0.00 O ATOM 0 H SER A 111 -4.059 -11.353 9.178 1.00 0.00 H new ATOM 0 HA SER A 111 -5.335 -8.699 9.009 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.995 -8.401 11.440 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.186 -9.638 11.090 1.00 0.00 H new ATOM 0 HG SER A 111 -3.419 -10.124 11.701 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.836 -8.716 8.153 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.481 -8.281 7.851 1.00 0.00 C ATOM 1830 C TYR A 112 -1.485 -6.876 7.279 1.00 0.00 C ATOM 1831 O TYR A 112 -2.101 -6.615 6.245 1.00 0.00 O ATOM 1832 CB TYR A 112 -0.820 -9.246 6.866 1.00 0.00 C ATOM 1833 CG TYR A 112 0.128 -10.219 7.527 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -0.338 -11.407 8.081 1.00 0.00 C ATOM 1835 CD2 TYR A 112 1.486 -9.949 7.600 1.00 0.00 C ATOM 1836 CE1 TYR A 112 0.528 -12.297 8.685 1.00 0.00 C ATOM 1837 CE2 TYR A 112 2.358 -10.833 8.204 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.875 -12.004 8.745 1.00 0.00 C ATOM 1839 OH TYR A 112 2.743 -12.889 9.344 1.00 0.00 O ATOM 0 H TYR A 112 -3.430 -8.838 7.332 1.00 0.00 H new ATOM 0 HA TYR A 112 -0.909 -8.277 8.779 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.594 -9.804 6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.276 -8.672 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.392 -11.637 8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.868 -9.032 7.177 1.00 0.00 H new ATOM 0 HE1 TYR A 112 0.153 -13.217 9.108 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.413 -10.607 8.252 1.00 0.00 H new ATOM 0 HH TYR A 112 3.655 -12.533 9.301 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.807 -5.973 7.971 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.739 -4.582 7.549 1.00 0.00 C ATOM 1851 C GLU A 113 0.547 -3.912 8.039 1.00 0.00 C ATOM 1852 O GLU A 113 0.968 -4.109 9.180 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.975 -3.838 8.062 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.933 -3.505 9.547 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.228 -4.706 10.424 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.420 -5.001 10.647 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -1.266 -5.357 10.883 1.00 0.00 O ATOM 0 H GLU A 113 -0.295 -6.179 8.829 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.723 -4.545 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.088 -2.913 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.859 -4.444 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.949 -3.109 9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.657 -2.718 9.759 1.00 0.00 H new ATOM 1864 N VAL A 114 1.176 -3.129 7.158 1.00 0.00 N ATOM 1865 CA VAL A 114 2.423 -2.441 7.493 1.00 0.00 C ATOM 1866 C VAL A 114 2.266 -0.921 7.455 1.00 0.00 C ATOM 1867 O VAL A 114 1.510 -0.383 6.640 1.00 0.00 O ATOM 1868 CB VAL A 114 3.566 -2.836 6.533 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.891 -2.249 7.005 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.668 -4.346 6.398 1.00 0.00 C ATOM 0 H VAL A 114 0.842 -2.957 6.210 1.00 0.00 H new ATOM 0 HA VAL A 114 2.672 -2.752 8.508 1.00 0.00 H new ATOM 0 HB VAL A 114 3.337 -2.424 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.684 -2.539 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.817 -1.162 7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.122 -2.626 8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.481 -4.596 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.866 -4.786 7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.731 -4.740 6.005 1.00 0.00 H new ATOM 1880 N GLU A 115 3.005 -0.239 8.333 1.00 0.00 N ATOM 1881 CA GLU A 115 2.977 1.220 8.402 1.00 0.00 C ATOM 1882 C GLU A 115 4.394 1.790 8.456 1.00 0.00 C ATOM 1883 O GLU A 115 5.085 1.668 9.469 1.00 0.00 O ATOM 1884 CB GLU A 115 2.186 1.678 9.627 1.00 0.00 C ATOM 1885 CG GLU A 115 0.739 1.212 9.627 1.00 0.00 C ATOM 1886 CD GLU A 115 0.518 -0.002 10.508 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.506 0.158 11.745 1.00 0.00 O ATOM 1888 OE2 GLU A 115 0.356 -1.110 9.959 1.00 0.00 O ATOM 0 H GLU A 115 3.632 -0.678 9.008 1.00 0.00 H new ATOM 0 HA GLU A 115 2.488 1.592 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.678 1.307 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.208 2.767 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.099 2.026 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.437 0.976 8.607 1.00 0.00 H new ATOM 1895 N HIS A 116 4.819 2.418 7.359 1.00 0.00 N ATOM 1896 CA HIS A 116 6.153 3.018 7.277 1.00 0.00 C ATOM 1897 C HIS A 116 6.065 4.538 7.145 1.00 0.00 C ATOM 1898 O HIS A 116 5.113 5.062 6.568 1.00 0.00 O ATOM 1899 CB HIS A 116 6.931 2.434 6.097 1.00 0.00 C ATOM 1900 CG HIS A 116 8.292 1.933 6.475 1.00 0.00 C ATOM 1901 ND1 HIS A 116 9.436 2.695 6.352 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.690 0.743 6.986 1.00 0.00 C ATOM 1903 CE1 HIS A 116 10.477 1.995 6.767 1.00 0.00 C ATOM 1904 NE2 HIS A 116 10.051 0.807 7.158 1.00 0.00 N ATOM 0 H HIS A 116 4.259 2.525 6.513 1.00 0.00 H new ATOM 0 HA HIS A 116 6.682 2.784 8.201 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.358 1.615 5.662 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.033 3.197 5.325 1.00 0.00 H new ATOM 0 HD2 HIS A 116 8.055 -0.100 7.216 1.00 0.00 H new ATOM 0 HE1 HIS A 116 11.502 2.336 6.784 1.00 0.00 H new ATOM 0 HE2 HIS A 116 10.638 0.059 7.528 1.00 0.00 H new ATOM 1913 N VAL A 117 7.065 5.239 7.686 1.00 0.00 N ATOM 1914 CA VAL A 117 7.099 6.702 7.633 1.00 0.00 C ATOM 1915 C VAL A 117 8.394 7.214 6.993 1.00 0.00 C ATOM 1916 O VAL A 117 9.448 6.586 7.109 1.00 0.00 O ATOM 1917 CB VAL A 117 6.949 7.314 9.046 1.00 0.00 C ATOM 1918 CG1 VAL A 117 8.114 6.903 9.937 1.00 0.00 C ATOM 1919 CG2 VAL A 117 6.835 8.832 8.971 1.00 0.00 C ATOM 0 H VAL A 117 7.861 4.817 8.165 1.00 0.00 H new ATOM 0 HA VAL A 117 6.257 7.015 7.015 1.00 0.00 H new ATOM 0 HB VAL A 117 6.030 6.928 9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.989 7.344 10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.139 5.817 10.025 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.048 7.254 9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.730 9.239 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.731 9.242 8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.962 9.102 8.378 1.00 0.00 H new ATOM 1929 N ILE A 118 8.299 8.364 6.322 1.00 0.00 N ATOM 1930 CA ILE A 118 9.449 8.979 5.662 1.00 0.00 C ATOM 1931 C ILE A 118 9.516 10.477 5.972 1.00 0.00 C ATOM 1932 O ILE A 118 8.671 11.249 5.514 1.00 0.00 O ATOM 1933 CB ILE A 118 9.392 8.788 4.128 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.999 7.349 3.774 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.728 9.151 3.493 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.530 7.185 2.344 1.00 0.00 C ATOM 0 H ILE A 118 7.431 8.890 6.222 1.00 0.00 H new ATOM 0 HA ILE A 118 10.340 8.483 6.048 1.00 0.00 H new ATOM 0 HB ILE A 118 8.629 9.457 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.854 6.695 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.207 7.021 4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.668 9.010 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.963 10.193 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.510 8.510 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.269 6.142 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.655 7.813 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.328 7.482 1.663 1.00 0.00 H new ATOM 1948 N GLN A 119 10.520 10.882 6.750 1.00 0.00 N ATOM 1949 CA GLN A 119 10.688 12.288 7.118 1.00 0.00 C ATOM 1950 C GLN A 119 12.120 12.763 6.868 1.00 0.00 C ATOM 1951 O GLN A 119 13.030 12.443 7.635 1.00 0.00 O ATOM 1952 CB GLN A 119 10.314 12.496 8.589 1.00 0.00 C ATOM 1953 CG GLN A 119 10.351 13.951 9.034 1.00 0.00 C ATOM 1954 CD GLN A 119 9.648 14.173 10.358 1.00 0.00 C ATOM 1955 OE1 GLN A 119 10.275 14.167 11.416 1.00 0.00 O ATOM 1956 NE2 GLN A 119 8.335 14.370 10.306 1.00 0.00 N ATOM 0 H GLN A 119 11.228 10.258 7.137 1.00 0.00 H new ATOM 0 HA GLN A 119 10.023 12.881 6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 119 9.313 12.099 8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 119 10.996 11.918 9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.388 14.275 9.119 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.884 14.573 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.854 14.367 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 119 7.808 14.524 11.166 1.00 0.00 H new ATOM 1965 N ILE A 120 12.313 13.537 5.796 1.00 0.00 N ATOM 1966 CA ILE A 120 13.638 14.062 5.458 1.00 0.00 C ATOM 1967 C ILE A 120 13.567 15.536 5.033 1.00 0.00 C ATOM 1968 O ILE A 120 14.007 15.904 3.942 1.00 0.00 O ATOM 1969 CB ILE A 120 14.308 13.234 4.333 1.00 0.00 C ATOM 1970 CG1 ILE A 120 14.287 11.742 4.681 1.00 0.00 C ATOM 1971 CG2 ILE A 120 15.738 13.708 4.096 1.00 0.00 C ATOM 1972 CD1 ILE A 120 15.188 11.373 5.840 1.00 0.00 C ATOM 0 H ILE A 120 11.573 13.812 5.151 1.00 0.00 H new ATOM 0 HA ILE A 120 14.244 13.984 6.361 1.00 0.00 H new ATOM 0 HB ILE A 120 13.742 13.382 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 120 13.265 11.448 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 120 14.587 11.169 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.191 13.114 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.730 14.758 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.317 13.591 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.120 10.301 6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 120 16.218 11.634 5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.876 11.917 6.731 1.00 0.00 H new ATOM 1984 N PRO A 121 13.014 16.409 5.898 1.00 0.00 N ATOM 1985 CA PRO A 121 12.898 17.844 5.607 1.00 0.00 C ATOM 1986 C PRO A 121 14.238 18.572 5.714 1.00 0.00 C ATOM 1987 O PRO A 121 14.516 19.490 4.942 1.00 0.00 O ATOM 1988 CB PRO A 121 11.927 18.342 6.678 1.00 0.00 C ATOM 1989 CG PRO A 121 12.107 17.404 7.821 1.00 0.00 C ATOM 1990 CD PRO A 121 12.461 16.067 7.223 1.00 0.00 C ATOM 0 HA PRO A 121 12.561 18.028 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.152 19.368 6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.899 18.331 6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.896 17.752 8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 121 11.195 17.335 8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.189 15.535 7.835 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.586 15.423 7.137 1.00 0.00 H new