USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 945 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 Single : A 5 GLN : amide:sc= -5.74! C(o=-5.7!,f=-14!) USER MOD Single : A 13 ASN : amide:sc= -3.33! C(o=-3.3!,f=-10!) USER MOD Single : A 15 ASN : amide:sc= -0.0911 K(o=-0.091,f=-1.8!) USER MOD Single : A 16 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 31 ASN : amide:sc= -0.962! C(o=-0.96!,f=-1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -139:sc= 0 (180deg=-1.59!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0145 K(o=-0.015,f=-0.56) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 61 THR OG1 : rot -52:sc= 0.775 USER MOD Single : A 63 GLN : amide:sc= -0.514 K(o=-0.51,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot -36:sc= 0.382 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -34:sc= 0.0389 USER MOD Single : A 79 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.0028) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -151:sc= -0.343 (180deg=-1.9!) USER MOD Single : A 100 GLN : amide:sc= -7.66! C(o=-7.7!,f=-5!) USER MOD Single : A 105 MET CE :methyl 159:sc= -1.83 (180deg=-2.68!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -2.22 X(o=-2.2,f=-1.8) USER MOD Single : A 119 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 11.260 8.511 6.824 1.00 0.00 N ATOM 65 CA LEU A 4 11.285 8.964 5.404 1.00 0.00 C ATOM 66 C LEU A 4 10.721 7.864 4.495 1.00 0.00 C ATOM 67 O LEU A 4 9.524 7.737 4.328 1.00 0.00 O ATOM 68 CB LEU A 4 12.726 9.286 5.000 1.00 0.00 C ATOM 69 CG LEU A 4 13.678 8.319 5.701 1.00 0.00 C ATOM 70 CD1 LEU A 4 14.850 7.995 4.774 1.00 0.00 C ATOM 71 CD2 LEU A 4 14.207 8.958 6.986 1.00 0.00 C ATOM 0 HA LEU A 4 10.671 9.858 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.839 9.205 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.970 10.313 5.270 1.00 0.00 H new ATOM 0 HG LEU A 4 13.143 7.402 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.530 7.305 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.474 7.536 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.383 8.913 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.886 8.266 7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.740 9.877 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.372 9.187 7.649 1.00 0.00 H new ATOM 83 N GLN A 5 11.572 7.081 3.895 1.00 0.00 N ATOM 84 CA GLN A 5 11.094 6.002 2.980 1.00 0.00 C ATOM 85 C GLN A 5 10.266 4.966 3.745 1.00 0.00 C ATOM 86 O GLN A 5 10.422 4.775 4.935 1.00 0.00 O ATOM 87 CB GLN A 5 12.301 5.313 2.337 1.00 0.00 C ATOM 88 CG GLN A 5 13.336 6.365 1.937 1.00 0.00 C ATOM 89 CD GLN A 5 13.727 6.164 0.473 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.054 6.639 -0.419 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.795 5.470 0.184 1.00 0.00 N ATOM 0 H GLN A 5 12.585 7.141 3.998 1.00 0.00 H new ATOM 0 HA GLN A 5 10.464 6.450 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.741 4.601 3.035 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.986 4.746 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 5 12.928 7.365 2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.217 6.285 2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.361 5.070 0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.063 5.328 -0.790 1.00 0.00 H new ATOM 100 N ILE A 6 9.385 4.295 3.052 1.00 0.00 N ATOM 101 CA ILE A 6 8.528 3.266 3.691 1.00 0.00 C ATOM 102 C ILE A 6 8.373 2.100 2.704 1.00 0.00 C ATOM 103 O ILE A 6 8.778 2.195 1.563 1.00 0.00 O ATOM 104 CB ILE A 6 7.165 3.897 3.998 1.00 0.00 C ATOM 105 CG1 ILE A 6 7.251 4.670 5.315 1.00 0.00 C ATOM 106 CG2 ILE A 6 6.094 2.817 4.115 1.00 0.00 C ATOM 107 CD1 ILE A 6 7.615 3.708 6.445 1.00 0.00 C ATOM 0 H ILE A 6 9.224 4.422 2.053 1.00 0.00 H new ATOM 0 HA ILE A 6 8.966 2.899 4.619 1.00 0.00 H new ATOM 0 HB ILE A 6 6.897 4.573 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.000 5.458 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.298 5.155 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.132 3.281 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.027 2.267 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.356 2.130 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.677 4.257 7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.850 2.936 6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.578 3.244 6.232 1.00 0.00 H new ATOM 119 N ALA A 7 7.800 1.003 3.121 1.00 0.00 N ATOM 120 CA ALA A 7 7.639 -0.149 2.183 1.00 0.00 C ATOM 121 C ALA A 7 6.204 -0.681 2.254 1.00 0.00 C ATOM 122 O ALA A 7 5.901 -1.560 3.033 1.00 0.00 O ATOM 123 CB ALA A 7 8.613 -1.263 2.572 1.00 0.00 C ATOM 0 H ALA A 7 7.438 0.854 4.063 1.00 0.00 H new ATOM 0 HA ALA A 7 7.850 0.184 1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.496 -2.104 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.635 -0.889 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.403 -1.591 3.590 1.00 0.00 H new ATOM 129 N VAL A 8 5.321 -0.162 1.440 1.00 0.00 N ATOM 130 CA VAL A 8 3.908 -0.647 1.463 1.00 0.00 C ATOM 131 C VAL A 8 3.678 -1.610 0.307 1.00 0.00 C ATOM 132 O VAL A 8 4.453 -1.678 -0.627 1.00 0.00 O ATOM 133 CB VAL A 8 2.951 0.534 1.315 1.00 0.00 C ATOM 134 CG1 VAL A 8 3.245 1.275 0.011 1.00 0.00 C ATOM 135 CG2 VAL A 8 1.514 0.012 1.280 1.00 0.00 C ATOM 0 H VAL A 8 5.516 0.575 0.762 1.00 0.00 H new ATOM 0 HA VAL A 8 3.725 -1.153 2.411 1.00 0.00 H new ATOM 0 HB VAL A 8 3.081 1.214 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.560 2.117 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.271 1.641 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.113 0.596 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.825 0.850 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.394 -0.666 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.298 -0.521 2.206 1.00 0.00 H new ATOM 145 N GLY A 9 2.613 -2.353 0.363 1.00 0.00 N ATOM 146 CA GLY A 9 2.322 -3.311 -0.727 1.00 0.00 C ATOM 147 C GLY A 9 0.816 -3.451 -0.895 1.00 0.00 C ATOM 148 O GLY A 9 0.128 -3.959 -0.031 1.00 0.00 O ATOM 0 H GLY A 9 1.930 -2.336 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.771 -2.966 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.765 -4.281 -0.500 1.00 0.00 H new ATOM 152 N ILE A 10 0.297 -3.029 -2.011 1.00 0.00 N ATOM 153 CA ILE A 10 -1.155 -3.167 -2.239 1.00 0.00 C ATOM 154 C ILE A 10 -1.362 -4.423 -3.060 1.00 0.00 C ATOM 155 O ILE A 10 -0.800 -4.586 -4.126 1.00 0.00 O ATOM 156 CB ILE A 10 -1.710 -1.966 -3.000 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.802 -0.750 -2.825 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.094 -1.637 -2.460 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.231 0.340 -3.806 1.00 0.00 C ATOM 0 H ILE A 10 0.820 -2.595 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.676 -3.222 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.763 -2.213 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.863 -0.380 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.237 -1.028 -3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.500 -0.780 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.752 -2.496 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.023 -1.400 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.587 1.211 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.148 -0.035 -4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.265 0.623 -3.606 1.00 0.00 H new ATOM 171 N ILE A 11 -2.144 -5.322 -2.569 1.00 0.00 N ATOM 172 CA ILE A 11 -2.364 -6.587 -3.317 1.00 0.00 C ATOM 173 C ILE A 11 -3.830 -6.699 -3.687 1.00 0.00 C ATOM 174 O ILE A 11 -4.682 -6.167 -3.025 1.00 0.00 O ATOM 175 CB ILE A 11 -1.955 -7.762 -2.434 1.00 0.00 C ATOM 176 CG1 ILE A 11 -0.718 -7.360 -1.629 1.00 0.00 C ATOM 177 CG2 ILE A 11 -1.627 -8.975 -3.307 1.00 0.00 C ATOM 178 CD1 ILE A 11 -0.198 -8.555 -0.831 1.00 0.00 C ATOM 0 H ILE A 11 -2.644 -5.244 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.765 -6.595 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.771 -8.022 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.059 -6.995 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.965 -6.541 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.335 -9.812 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.505 -9.251 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.807 -8.727 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.683 -8.257 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.973 -8.900 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.068 -9.361 -1.515 1.00 0.00 H new ATOM 190 N ARG A 12 -4.137 -7.391 -4.734 1.00 0.00 N ATOM 191 CA ARG A 12 -5.564 -7.521 -5.124 1.00 0.00 C ATOM 192 C ARG A 12 -6.226 -8.553 -4.222 1.00 0.00 C ATOM 193 O ARG A 12 -5.886 -8.685 -3.063 1.00 0.00 O ATOM 194 CB ARG A 12 -5.665 -7.950 -6.588 1.00 0.00 C ATOM 195 CG ARG A 12 -6.965 -7.411 -7.193 1.00 0.00 C ATOM 196 CD ARG A 12 -6.799 -5.925 -7.519 1.00 0.00 C ATOM 197 NE ARG A 12 -6.038 -5.777 -8.792 1.00 0.00 N ATOM 198 CZ ARG A 12 -6.034 -4.633 -9.420 1.00 0.00 C ATOM 199 NH1 ARG A 12 -5.215 -3.687 -9.050 1.00 0.00 N ATOM 200 NH2 ARG A 12 -6.848 -4.437 -10.421 1.00 0.00 N ATOM 0 H ARG A 12 -3.470 -7.872 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.070 -6.562 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.808 -7.574 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.641 -9.037 -6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.216 -7.967 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.789 -7.551 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.776 -5.450 -7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.274 -5.420 -6.708 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.521 -6.570 -9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.577 -3.841 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.213 -2.793 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.486 -5.177 -10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.846 -3.543 -10.913 1.00 0.00 H new ATOM 214 N ASN A 13 -7.174 -9.271 -4.731 1.00 0.00 N ATOM 215 CA ASN A 13 -7.872 -10.287 -3.886 1.00 0.00 C ATOM 216 C ASN A 13 -8.292 -11.499 -4.699 1.00 0.00 C ATOM 217 O ASN A 13 -8.740 -12.474 -4.155 1.00 0.00 O ATOM 218 CB ASN A 13 -9.129 -9.682 -3.323 1.00 0.00 C ATOM 219 CG ASN A 13 -8.944 -9.401 -1.828 1.00 0.00 C ATOM 220 OD1 ASN A 13 -8.471 -8.347 -1.452 1.00 0.00 O ATOM 221 ND2 ASN A 13 -9.301 -10.304 -0.955 1.00 0.00 N ATOM 0 H ASN A 13 -7.503 -9.206 -5.694 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.177 -10.593 -3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.366 -8.758 -3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.969 -10.360 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.183 -10.124 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.698 -11.189 -1.270 1.00 0.00 H new ATOM 228 N GLU A 14 -8.218 -11.416 -5.984 1.00 0.00 N ATOM 229 CA GLU A 14 -8.650 -12.553 -6.855 1.00 0.00 C ATOM 230 C GLU A 14 -10.164 -12.494 -7.047 1.00 0.00 C ATOM 231 O GLU A 14 -10.679 -12.764 -8.113 1.00 0.00 O ATOM 232 CB GLU A 14 -8.241 -13.888 -6.223 1.00 0.00 C ATOM 233 CG GLU A 14 -7.403 -14.692 -7.220 1.00 0.00 C ATOM 234 CD GLU A 14 -6.644 -15.793 -6.473 1.00 0.00 C ATOM 235 OE1 GLU A 14 -6.908 -15.971 -5.295 1.00 0.00 O ATOM 236 OE2 GLU A 14 -5.813 -16.437 -7.091 1.00 0.00 O ATOM 0 H GLU A 14 -7.872 -10.600 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.163 -12.472 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.670 -13.711 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.128 -14.454 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.047 -15.131 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.701 -14.036 -7.735 1.00 0.00 H new ATOM 243 N ASN A 15 -10.872 -12.099 -6.033 1.00 0.00 N ATOM 244 CA ASN A 15 -12.343 -11.964 -6.148 1.00 0.00 C ATOM 245 C ASN A 15 -12.637 -10.506 -6.502 1.00 0.00 C ATOM 246 O ASN A 15 -13.692 -9.979 -6.216 1.00 0.00 O ATOM 247 CB ASN A 15 -12.999 -12.322 -4.812 1.00 0.00 C ATOM 248 CG ASN A 15 -14.419 -12.836 -5.059 1.00 0.00 C ATOM 249 OD1 ASN A 15 -14.935 -12.731 -6.154 1.00 0.00 O ATOM 250 ND2 ASN A 15 -15.078 -13.392 -4.079 1.00 0.00 N ATOM 0 H ASN A 15 -10.489 -11.861 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.739 -12.633 -6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.410 -13.082 -4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.026 -11.447 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.025 -13.738 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.646 -13.481 -3.159 1.00 0.00 H new ATOM 257 N ASN A 16 -11.680 -9.866 -7.130 1.00 0.00 N ATOM 258 CA ASN A 16 -11.819 -8.446 -7.543 1.00 0.00 C ATOM 259 C ASN A 16 -11.780 -7.518 -6.324 1.00 0.00 C ATOM 260 O ASN A 16 -12.461 -6.513 -6.276 1.00 0.00 O ATOM 261 CB ASN A 16 -13.120 -8.273 -8.322 1.00 0.00 C ATOM 262 CG ASN A 16 -13.360 -6.792 -8.629 1.00 0.00 C ATOM 263 OD1 ASN A 16 -14.285 -6.196 -8.116 1.00 0.00 O ATOM 264 ND2 ASN A 16 -12.557 -6.169 -9.448 1.00 0.00 N ATOM 0 H ASN A 16 -10.785 -10.288 -7.377 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.982 -8.175 -8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.075 -8.842 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.954 -8.672 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.707 -5.182 -9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.780 -6.669 -9.879 1.00 0.00 H new ATOM 271 N GLU A 17 -10.970 -7.823 -5.341 1.00 0.00 N ATOM 272 CA GLU A 17 -10.893 -6.907 -4.157 1.00 0.00 C ATOM 273 C GLU A 17 -9.425 -6.544 -3.889 1.00 0.00 C ATOM 274 O GLU A 17 -8.574 -6.727 -4.734 1.00 0.00 O ATOM 275 CB GLU A 17 -11.509 -7.583 -2.930 1.00 0.00 C ATOM 276 CG GLU A 17 -12.858 -8.198 -3.306 1.00 0.00 C ATOM 277 CD GLU A 17 -13.827 -8.053 -2.134 1.00 0.00 C ATOM 278 OE1 GLU A 17 -13.848 -6.990 -1.537 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.532 -9.009 -1.852 1.00 0.00 O ATOM 0 H GLU A 17 -10.370 -8.647 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.453 -5.996 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.838 -8.355 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.640 -6.856 -2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.262 -7.703 -4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.732 -9.251 -3.560 1.00 0.00 H new ATOM 286 N ILE A 18 -9.116 -6.034 -2.729 1.00 0.00 N ATOM 287 CA ILE A 18 -7.693 -5.668 -2.433 1.00 0.00 C ATOM 288 C ILE A 18 -7.434 -5.776 -0.930 1.00 0.00 C ATOM 289 O ILE A 18 -8.324 -5.631 -0.123 1.00 0.00 O ATOM 290 CB ILE A 18 -7.429 -4.221 -2.870 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.332 -3.877 -4.050 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.968 -4.043 -3.285 1.00 0.00 C ATOM 293 CD1 ILE A 18 -7.905 -2.540 -4.654 1.00 0.00 C ATOM 0 H ILE A 18 -9.779 -5.854 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.035 -6.348 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.640 -3.558 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.276 -4.662 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.370 -3.824 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.800 -3.011 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.319 -4.281 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.742 -4.710 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.553 -2.298 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.984 -1.758 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.873 -2.609 -4.998 1.00 0.00 H new ATOM 305 N PHE A 19 -6.212 -6.000 -0.547 1.00 0.00 N ATOM 306 CA PHE A 19 -5.892 -6.081 0.902 1.00 0.00 C ATOM 307 C PHE A 19 -5.414 -4.705 1.342 1.00 0.00 C ATOM 308 O PHE A 19 -4.259 -4.506 1.665 1.00 0.00 O ATOM 309 CB PHE A 19 -4.786 -7.108 1.134 1.00 0.00 C ATOM 310 CG PHE A 19 -4.390 -7.093 2.589 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.241 -7.650 3.549 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.174 -6.522 2.979 1.00 0.00 C ATOM 313 CE1 PHE A 19 -4.877 -7.637 4.900 1.00 0.00 C ATOM 314 CE2 PHE A 19 -2.809 -6.508 4.330 1.00 0.00 C ATOM 315 CZ PHE A 19 -3.659 -7.066 5.290 1.00 0.00 C ATOM 0 H PHE A 19 -5.419 -6.131 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.770 -6.386 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.131 -8.102 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.924 -6.879 0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.180 -8.090 3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.517 -6.092 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.535 -8.067 5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.871 -6.066 4.631 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.376 -7.057 6.332 1.00 0.00 H new ATOM 325 N ILE A 20 -6.286 -3.741 1.314 1.00 0.00 N ATOM 326 CA ILE A 20 -5.886 -2.369 1.680 1.00 0.00 C ATOM 327 C ILE A 20 -5.881 -2.194 3.195 1.00 0.00 C ATOM 328 O ILE A 20 -5.763 -3.139 3.949 1.00 0.00 O ATOM 329 CB ILE A 20 -6.883 -1.390 1.033 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.253 -0.014 0.762 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.100 -1.207 1.940 1.00 0.00 C ATOM 332 CD1 ILE A 20 -4.745 -0.025 1.027 1.00 0.00 C ATOM 0 H ILE A 20 -7.265 -3.851 1.050 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.876 -2.171 1.321 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.181 -1.822 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.440 0.275 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.729 0.736 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.800 -0.513 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.589 -2.169 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.780 -0.808 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.333 0.964 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.560 -0.289 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.267 -0.757 0.376 1.00 0.00 H new ATOM 344 N THR A 21 -6.007 -0.978 3.635 1.00 0.00 N ATOM 345 CA THR A 21 -6.015 -0.708 5.093 1.00 0.00 C ATOM 346 C THR A 21 -6.958 0.458 5.397 1.00 0.00 C ATOM 347 O THR A 21 -7.116 1.367 4.606 1.00 0.00 O ATOM 348 CB THR A 21 -4.597 -0.366 5.548 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.698 -0.538 4.462 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.188 -1.283 6.701 1.00 0.00 C ATOM 0 H THR A 21 -6.105 -0.154 3.042 1.00 0.00 H new ATOM 0 HA THR A 21 -6.364 -1.591 5.628 1.00 0.00 H new ATOM 0 HB THR A 21 -4.567 0.670 5.886 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.788 -0.317 4.752 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.176 -1.035 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.876 -1.148 7.535 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.219 -2.321 6.369 1.00 0.00 H new ATOM 358 N ARG A 22 -7.596 0.432 6.538 1.00 0.00 N ATOM 359 CA ARG A 22 -8.538 1.529 6.891 1.00 0.00 C ATOM 360 C ARG A 22 -7.958 2.377 8.020 1.00 0.00 C ATOM 361 O ARG A 22 -6.764 2.405 8.244 1.00 0.00 O ATOM 362 CB ARG A 22 -9.873 0.933 7.339 1.00 0.00 C ATOM 363 CG ARG A 22 -10.998 1.553 6.512 1.00 0.00 C ATOM 364 CD ARG A 22 -12.295 0.777 6.741 1.00 0.00 C ATOM 365 NE ARG A 22 -12.892 0.418 5.423 1.00 0.00 N ATOM 366 CZ ARG A 22 -13.847 -0.469 5.358 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.633 -0.658 6.382 1.00 0.00 N ATOM 368 NH2 ARG A 22 -14.017 -1.167 4.268 1.00 0.00 N ATOM 0 H ARG A 22 -7.504 -0.303 7.239 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.692 2.158 6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.864 -0.149 7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.035 1.127 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.134 2.598 6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.736 1.537 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.096 -0.124 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.996 1.379 7.319 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.554 0.866 4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.501 -0.112 7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.379 -1.351 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.403 -1.019 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.764 -1.860 4.218 1.00 0.00 H new ATOM 492 N ASN A 31 -14.731 7.605 7.866 1.00 0.00 N ATOM 493 CA ASN A 31 -13.682 6.550 7.803 1.00 0.00 C ATOM 494 C ASN A 31 -12.605 6.963 6.798 1.00 0.00 C ATOM 495 O ASN A 31 -12.875 7.649 5.831 1.00 0.00 O ATOM 496 CB ASN A 31 -14.311 5.229 7.355 1.00 0.00 C ATOM 497 CG ASN A 31 -15.653 5.034 8.064 1.00 0.00 C ATOM 498 OD1 ASN A 31 -15.968 5.744 8.999 1.00 0.00 O ATOM 499 ND2 ASN A 31 -16.462 4.095 7.655 1.00 0.00 N ATOM 0 HA ASN A 31 -13.235 6.425 8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.456 5.231 6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.642 4.399 7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.359 3.957 8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.197 3.500 6.870 1.00 0.00 H new ATOM 506 N LYS A 32 -11.387 6.550 7.014 1.00 0.00 N ATOM 507 CA LYS A 32 -10.297 6.917 6.067 1.00 0.00 C ATOM 508 C LYS A 32 -9.413 5.697 5.818 1.00 0.00 C ATOM 509 O LYS A 32 -9.210 4.878 6.693 1.00 0.00 O ATOM 510 CB LYS A 32 -9.456 8.046 6.664 1.00 0.00 C ATOM 511 CG LYS A 32 -9.199 9.107 5.594 1.00 0.00 C ATOM 512 CD LYS A 32 -10.490 9.880 5.323 1.00 0.00 C ATOM 513 CE LYS A 32 -11.121 9.380 4.024 1.00 0.00 C ATOM 514 NZ LYS A 32 -11.760 10.521 3.312 1.00 0.00 N ATOM 0 H LYS A 32 -11.099 5.974 7.805 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.731 7.252 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.974 8.489 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.510 7.652 7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.416 9.790 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.845 8.636 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.186 9.749 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.279 10.947 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.361 8.922 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.862 8.611 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.190 10.182 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.496 10.939 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.041 11.240 3.094 1.00 0.00 H new ATOM 528 N LEU A 33 -8.887 5.563 4.631 1.00 0.00 N ATOM 529 CA LEU A 33 -8.027 4.401 4.327 1.00 0.00 C ATOM 530 C LEU A 33 -6.573 4.847 4.287 1.00 0.00 C ATOM 531 O LEU A 33 -6.250 5.977 4.592 1.00 0.00 O ATOM 532 CB LEU A 33 -8.425 3.844 2.973 1.00 0.00 C ATOM 533 CG LEU A 33 -9.624 2.910 3.148 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.688 3.230 2.102 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.165 1.467 2.974 1.00 0.00 C ATOM 0 H LEU A 33 -9.021 6.216 3.859 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.147 3.635 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.678 4.657 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.589 3.304 2.528 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.046 3.048 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.539 2.561 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.016 4.263 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.270 3.095 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.016 0.797 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.743 1.337 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.408 1.233 3.722 1.00 0.00 H new ATOM 547 N GLU A 34 -5.694 3.969 3.917 1.00 0.00 N ATOM 548 CA GLU A 34 -4.265 4.349 3.860 1.00 0.00 C ATOM 549 C GLU A 34 -3.497 3.355 3.005 1.00 0.00 C ATOM 550 O GLU A 34 -4.040 2.690 2.149 1.00 0.00 O ATOM 551 CB GLU A 34 -3.674 4.351 5.269 1.00 0.00 C ATOM 552 CG GLU A 34 -2.638 5.470 5.385 1.00 0.00 C ATOM 553 CD GLU A 34 -1.518 5.034 6.332 1.00 0.00 C ATOM 554 OE1 GLU A 34 -1.804 4.288 7.254 1.00 0.00 O ATOM 555 OE2 GLU A 34 -0.391 5.453 6.119 1.00 0.00 O ATOM 0 H GLU A 34 -5.903 3.006 3.652 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.185 5.345 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.464 4.494 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.210 3.388 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.228 5.703 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.110 6.379 5.757 1.00 0.00 H new ATOM 562 N PHE A 35 -2.229 3.254 3.253 1.00 0.00 N ATOM 563 CA PHE A 35 -1.383 2.306 2.489 1.00 0.00 C ATOM 564 C PHE A 35 -0.530 1.513 3.489 1.00 0.00 C ATOM 565 O PHE A 35 0.069 2.091 4.375 1.00 0.00 O ATOM 566 CB PHE A 35 -0.491 3.094 1.530 1.00 0.00 C ATOM 567 CG PHE A 35 -1.254 3.347 0.254 1.00 0.00 C ATOM 568 CD1 PHE A 35 -1.602 2.276 -0.577 1.00 0.00 C ATOM 569 CD2 PHE A 35 -1.618 4.652 -0.093 1.00 0.00 C ATOM 570 CE1 PHE A 35 -2.316 2.512 -1.759 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.332 4.887 -1.273 1.00 0.00 C ATOM 572 CZ PHE A 35 -2.681 3.819 -2.106 1.00 0.00 C ATOM 0 H PHE A 35 -1.735 3.795 3.962 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.996 1.618 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.191 4.038 1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.422 2.537 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.320 1.269 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.348 5.477 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.585 1.687 -2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.614 5.894 -1.541 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.232 4.002 -3.017 1.00 0.00 H new ATOM 582 N PRO A 36 -0.517 0.213 3.337 1.00 0.00 N ATOM 583 CA PRO A 36 0.236 -0.673 4.242 1.00 0.00 C ATOM 584 C PRO A 36 1.719 -0.298 4.268 1.00 0.00 C ATOM 585 O PRO A 36 2.097 0.813 3.956 1.00 0.00 O ATOM 586 CB PRO A 36 0.041 -2.083 3.667 1.00 0.00 C ATOM 587 CG PRO A 36 -0.885 -1.962 2.430 1.00 0.00 C ATOM 588 CD PRO A 36 -1.239 -0.478 2.254 1.00 0.00 C ATOM 0 HA PRO A 36 -0.115 -0.597 5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.000 -2.518 3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.402 -2.743 4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.385 -2.344 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.788 -2.557 2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.929 -0.111 1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.314 -0.316 2.330 1.00 0.00 H new ATOM 596 N GLY A 37 2.560 -1.223 4.641 1.00 0.00 N ATOM 597 CA GLY A 37 4.023 -0.940 4.691 1.00 0.00 C ATOM 598 C GLY A 37 4.392 -0.299 6.026 1.00 0.00 C ATOM 599 O GLY A 37 3.581 0.329 6.678 1.00 0.00 O ATOM 0 H GLY A 37 2.295 -2.169 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.584 -1.865 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.300 -0.276 3.872 1.00 0.00 H new ATOM 603 N GLY A 38 5.617 -0.455 6.433 1.00 0.00 N ATOM 604 CA GLY A 38 6.055 0.139 7.727 1.00 0.00 C ATOM 605 C GLY A 38 7.475 0.696 7.598 1.00 0.00 C ATOM 606 O GLY A 38 7.828 1.663 8.244 1.00 0.00 O ATOM 0 H GLY A 38 6.337 -0.969 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.370 0.934 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.023 -0.616 8.512 1.00 0.00 H new ATOM 610 N LYS A 39 8.303 0.098 6.779 1.00 0.00 N ATOM 611 CA LYS A 39 9.693 0.612 6.641 1.00 0.00 C ATOM 612 C LYS A 39 10.413 -0.089 5.483 1.00 0.00 C ATOM 613 O LYS A 39 10.009 -1.143 5.030 1.00 0.00 O ATOM 614 CB LYS A 39 10.451 0.346 7.944 1.00 0.00 C ATOM 615 CG LYS A 39 11.285 1.571 8.317 1.00 0.00 C ATOM 616 CD LYS A 39 11.722 1.461 9.778 1.00 0.00 C ATOM 617 CE LYS A 39 13.007 0.635 9.864 1.00 0.00 C ATOM 618 NZ LYS A 39 13.321 0.350 11.292 1.00 0.00 N ATOM 0 H LYS A 39 8.077 -0.715 6.207 1.00 0.00 H new ATOM 0 HA LYS A 39 9.659 1.682 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.748 0.116 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.097 -0.524 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.158 1.641 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.703 2.480 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.887 2.454 10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.936 0.993 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.889 -0.298 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.832 1.177 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.194 -0.211 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.450 1.246 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.538 -0.184 11.720 1.00 0.00 H new ATOM 632 N ILE A 40 11.484 0.491 5.010 1.00 0.00 N ATOM 633 CA ILE A 40 12.253 -0.128 3.889 1.00 0.00 C ATOM 634 C ILE A 40 13.752 -0.039 4.198 1.00 0.00 C ATOM 635 O ILE A 40 14.377 0.981 3.989 1.00 0.00 O ATOM 636 CB ILE A 40 11.961 0.623 2.587 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.811 0.032 1.458 1.00 0.00 C ATOM 638 CG2 ILE A 40 12.307 2.102 2.762 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.693 0.912 0.213 1.00 0.00 C ATOM 0 H ILE A 40 11.862 1.373 5.354 1.00 0.00 H new ATOM 0 HA ILE A 40 11.958 -1.172 3.779 1.00 0.00 H new ATOM 0 HB ILE A 40 10.904 0.524 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.853 -0.035 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.480 -0.982 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.099 2.636 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.705 2.524 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.364 2.202 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.298 0.490 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.651 0.957 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.046 1.917 0.443 1.00 0.00 H new ATOM 651 N GLU A 41 14.330 -1.095 4.703 1.00 0.00 N ATOM 652 CA GLU A 41 15.786 -1.060 5.035 1.00 0.00 C ATOM 653 C GLU A 41 16.620 -1.305 3.774 1.00 0.00 C ATOM 654 O GLU A 41 16.103 -1.372 2.676 1.00 0.00 O ATOM 655 CB GLU A 41 16.097 -2.144 6.070 1.00 0.00 C ATOM 656 CG GLU A 41 15.410 -1.796 7.392 1.00 0.00 C ATOM 657 CD GLU A 41 16.319 -2.183 8.559 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.481 -3.370 8.791 1.00 0.00 O ATOM 659 OE2 GLU A 41 16.838 -1.286 9.204 1.00 0.00 O ATOM 0 H GLU A 41 13.860 -1.979 4.900 1.00 0.00 H new ATOM 0 HA GLU A 41 16.036 -0.080 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.752 -3.114 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.174 -2.224 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.188 -0.729 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.459 -2.322 7.469 1.00 0.00 H new ATOM 666 N MET A 42 17.911 -1.433 3.929 1.00 0.00 N ATOM 667 CA MET A 42 18.796 -1.669 2.752 1.00 0.00 C ATOM 668 C MET A 42 18.734 -0.462 1.813 1.00 0.00 C ATOM 669 O MET A 42 19.442 0.509 1.991 1.00 0.00 O ATOM 670 CB MET A 42 18.342 -2.929 2.012 1.00 0.00 C ATOM 671 CG MET A 42 18.565 -4.151 2.908 1.00 0.00 C ATOM 672 SD MET A 42 17.287 -5.386 2.574 1.00 0.00 S ATOM 673 CE MET A 42 17.632 -6.449 3.997 1.00 0.00 C ATOM 0 H MET A 42 18.393 -1.384 4.827 1.00 0.00 H new ATOM 0 HA MET A 42 19.823 -1.805 3.092 1.00 0.00 H new ATOM 0 HB2 MET A 42 17.289 -2.848 1.744 1.00 0.00 H new ATOM 0 HB3 MET A 42 18.900 -3.039 1.082 1.00 0.00 H new ATOM 0 HG2 MET A 42 19.552 -4.575 2.724 1.00 0.00 H new ATOM 0 HG3 MET A 42 18.535 -3.856 3.957 1.00 0.00 H new ATOM 0 HE1 MET A 42 17.570 -7.494 3.694 1.00 0.00 H new ATOM 0 HE2 MET A 42 18.633 -6.239 4.374 1.00 0.00 H new ATOM 0 HE3 MET A 42 16.901 -6.255 4.782 1.00 0.00 H new ATOM 683 N GLY A 43 17.896 -0.509 0.813 1.00 0.00 N ATOM 684 CA GLY A 43 17.802 0.644 -0.128 1.00 0.00 C ATOM 685 C GLY A 43 18.512 0.301 -1.434 1.00 0.00 C ATOM 686 O GLY A 43 19.069 1.155 -2.097 1.00 0.00 O ATOM 0 H GLY A 43 17.275 -1.292 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.756 0.882 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.253 1.529 0.320 1.00 0.00 H new ATOM 690 N GLU A 44 18.496 -0.941 -1.802 1.00 0.00 N ATOM 691 CA GLU A 44 19.171 -1.357 -3.064 1.00 0.00 C ATOM 692 C GLU A 44 18.274 -1.020 -4.257 1.00 0.00 C ATOM 693 O GLU A 44 18.556 -0.117 -5.020 1.00 0.00 O ATOM 694 CB GLU A 44 19.432 -2.864 -3.030 1.00 0.00 C ATOM 695 CG GLU A 44 20.937 -3.119 -3.113 1.00 0.00 C ATOM 696 CD GLU A 44 21.526 -3.188 -1.704 1.00 0.00 C ATOM 697 OE1 GLU A 44 21.226 -4.140 -1.003 1.00 0.00 O ATOM 698 OE2 GLU A 44 22.265 -2.285 -1.348 1.00 0.00 O ATOM 0 H GLU A 44 18.044 -1.694 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 44 20.119 -0.827 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.029 -3.294 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.923 -3.352 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.129 -4.051 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.420 -2.324 -3.681 1.00 0.00 H new ATOM 705 N THR A 45 17.196 -1.736 -4.430 1.00 0.00 N ATOM 706 CA THR A 45 16.293 -1.455 -5.568 1.00 0.00 C ATOM 707 C THR A 45 14.845 -1.437 -5.066 1.00 0.00 C ATOM 708 O THR A 45 14.488 -2.194 -4.184 1.00 0.00 O ATOM 709 CB THR A 45 16.475 -2.546 -6.627 1.00 0.00 C ATOM 710 OG1 THR A 45 17.765 -2.419 -7.213 1.00 0.00 O ATOM 711 CG2 THR A 45 15.407 -2.405 -7.711 1.00 0.00 C ATOM 0 H THR A 45 16.906 -2.505 -3.826 1.00 0.00 H new ATOM 0 HA THR A 45 16.528 -0.486 -6.009 1.00 0.00 H new ATOM 0 HB THR A 45 16.377 -3.524 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.887 -3.117 -7.891 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.544 -3.185 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.418 -2.502 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.496 -1.427 -8.185 1.00 0.00 H new ATOM 719 N PRO A 46 14.058 -0.562 -5.640 1.00 0.00 N ATOM 720 CA PRO A 46 12.635 -0.404 -5.270 1.00 0.00 C ATOM 721 C PRO A 46 11.850 -1.725 -5.385 1.00 0.00 C ATOM 722 O PRO A 46 10.710 -1.807 -4.971 1.00 0.00 O ATOM 723 CB PRO A 46 12.091 0.634 -6.263 1.00 0.00 C ATOM 724 CG PRO A 46 13.248 1.021 -7.220 1.00 0.00 C ATOM 725 CD PRO A 46 14.522 0.352 -6.704 1.00 0.00 C ATOM 0 HA PRO A 46 12.529 -0.095 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.251 0.223 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.722 1.513 -5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.029 0.694 -8.236 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.371 2.104 -7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.034 -0.192 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.227 1.087 -6.316 1.00 0.00 H new ATOM 733 N GLU A 47 12.435 -2.752 -5.936 1.00 0.00 N ATOM 734 CA GLU A 47 11.710 -4.045 -6.065 1.00 0.00 C ATOM 735 C GLU A 47 12.220 -5.000 -4.992 1.00 0.00 C ATOM 736 O GLU A 47 11.482 -5.780 -4.424 1.00 0.00 O ATOM 737 CB GLU A 47 12.010 -4.634 -7.438 1.00 0.00 C ATOM 738 CG GLU A 47 10.830 -4.376 -8.376 1.00 0.00 C ATOM 739 CD GLU A 47 10.799 -2.896 -8.766 1.00 0.00 C ATOM 740 OE1 GLU A 47 10.245 -2.116 -8.008 1.00 0.00 O ATOM 741 OE2 GLU A 47 11.330 -2.568 -9.814 1.00 0.00 O ATOM 0 H GLU A 47 13.387 -2.751 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 47 10.637 -3.893 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.917 -4.187 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.193 -5.705 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.919 -4.996 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.896 -4.653 -7.887 1.00 0.00 H new ATOM 748 N GLN A 48 13.487 -4.924 -4.713 1.00 0.00 N ATOM 749 CA GLN A 48 14.101 -5.789 -3.687 1.00 0.00 C ATOM 750 C GLN A 48 13.461 -5.490 -2.351 1.00 0.00 C ATOM 751 O GLN A 48 13.031 -6.358 -1.625 1.00 0.00 O ATOM 752 CB GLN A 48 15.584 -5.445 -3.607 1.00 0.00 C ATOM 753 CG GLN A 48 16.399 -6.687 -3.901 1.00 0.00 C ATOM 754 CD GLN A 48 17.852 -6.295 -4.176 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.534 -5.799 -3.302 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.357 -6.497 -5.362 1.00 0.00 N ATOM 0 H GLN A 48 14.135 -4.281 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 48 13.962 -6.841 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.826 -4.659 -4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.828 -5.061 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.351 -7.374 -3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.984 -7.211 -4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.784 -6.914 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.325 -6.238 -5.555 1.00 0.00 H new ATOM 765 N ALA A 49 13.427 -4.249 -2.037 1.00 0.00 N ATOM 766 CA ALA A 49 12.852 -3.807 -0.744 1.00 0.00 C ATOM 767 C ALA A 49 11.620 -4.646 -0.395 1.00 0.00 C ATOM 768 O ALA A 49 11.583 -5.315 0.618 1.00 0.00 O ATOM 769 CB ALA A 49 12.455 -2.334 -0.841 1.00 0.00 C ATOM 0 H ALA A 49 13.779 -3.496 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 49 13.600 -3.937 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.032 -2.008 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.336 -1.734 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.714 -2.208 -1.630 1.00 0.00 H new ATOM 775 N VAL A 50 10.611 -4.618 -1.218 1.00 0.00 N ATOM 776 CA VAL A 50 9.389 -5.414 -0.922 1.00 0.00 C ATOM 777 C VAL A 50 9.675 -6.902 -1.124 1.00 0.00 C ATOM 778 O VAL A 50 9.081 -7.751 -0.491 1.00 0.00 O ATOM 779 CB VAL A 50 8.274 -4.974 -1.865 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.416 -5.676 -3.218 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.923 -5.319 -1.255 1.00 0.00 C ATOM 0 H VAL A 50 10.579 -4.078 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 50 9.087 -5.251 0.112 1.00 0.00 H new ATOM 0 HB VAL A 50 8.345 -3.897 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.614 -5.353 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.379 -5.421 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.357 -6.755 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.128 -5.004 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.859 -6.396 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.813 -4.805 -0.300 1.00 0.00 H new ATOM 791 N VAL A 51 10.571 -7.217 -2.016 1.00 0.00 N ATOM 792 CA VAL A 51 10.899 -8.642 -2.277 1.00 0.00 C ATOM 793 C VAL A 51 10.992 -9.377 -0.943 1.00 0.00 C ATOM 794 O VAL A 51 10.316 -10.353 -0.698 1.00 0.00 O ATOM 795 CB VAL A 51 12.228 -8.702 -3.054 1.00 0.00 C ATOM 796 CG1 VAL A 51 13.414 -9.085 -2.162 1.00 0.00 C ATOM 797 CG2 VAL A 51 12.099 -9.740 -4.143 1.00 0.00 C ATOM 0 H VAL A 51 11.092 -6.544 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 51 10.127 -9.124 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 51 12.421 -7.708 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.325 -9.113 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.524 -8.348 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 51 13.238 -10.067 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.032 -9.796 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.885 -10.711 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.287 -9.463 -4.815 1.00 0.00 H new ATOM 807 N ARG A 52 11.829 -8.899 -0.088 1.00 0.00 N ATOM 808 CA ARG A 52 12.000 -9.506 1.230 1.00 0.00 C ATOM 809 C ARG A 52 10.700 -9.331 2.029 1.00 0.00 C ATOM 810 O ARG A 52 10.334 -10.178 2.817 1.00 0.00 O ATOM 811 CB ARG A 52 13.188 -8.787 1.878 1.00 0.00 C ATOM 812 CG ARG A 52 12.810 -8.198 3.235 1.00 0.00 C ATOM 813 CD ARG A 52 14.022 -7.483 3.839 1.00 0.00 C ATOM 814 NE ARG A 52 14.815 -8.436 4.668 1.00 0.00 N ATOM 815 CZ ARG A 52 14.212 -9.332 5.401 1.00 0.00 C ATOM 816 NH1 ARG A 52 13.161 -9.002 6.101 1.00 0.00 N ATOM 817 NH2 ARG A 52 14.660 -10.556 5.438 1.00 0.00 N ATOM 0 H ARG A 52 12.419 -8.085 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 52 12.202 -10.576 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.015 -9.486 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.537 -7.992 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.982 -7.499 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.470 -8.988 3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.646 -7.073 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.692 -6.643 4.451 1.00 0.00 H new ATOM 0 HE ARG A 52 15.834 -8.387 4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.811 -8.044 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.689 -9.702 6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.483 -10.815 4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.188 -11.255 6.011 1.00 0.00 H new ATOM 831 N GLU A 53 9.994 -8.243 1.826 1.00 0.00 N ATOM 832 CA GLU A 53 8.721 -8.041 2.579 1.00 0.00 C ATOM 833 C GLU A 53 7.647 -8.980 2.024 1.00 0.00 C ATOM 834 O GLU A 53 6.550 -9.059 2.541 1.00 0.00 O ATOM 835 CB GLU A 53 8.252 -6.593 2.429 1.00 0.00 C ATOM 836 CG GLU A 53 9.097 -5.682 3.322 1.00 0.00 C ATOM 837 CD GLU A 53 8.182 -4.718 4.078 1.00 0.00 C ATOM 838 OE1 GLU A 53 7.012 -4.651 3.736 1.00 0.00 O ATOM 839 OE2 GLU A 53 8.665 -4.063 4.986 1.00 0.00 O ATOM 0 H GLU A 53 10.243 -7.495 1.178 1.00 0.00 H new ATOM 0 HA GLU A 53 8.891 -8.257 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.337 -6.279 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.200 -6.511 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.675 -6.280 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.811 -5.123 2.717 1.00 0.00 H new ATOM 846 N LEU A 54 7.954 -9.693 0.975 1.00 0.00 N ATOM 847 CA LEU A 54 6.951 -10.625 0.389 1.00 0.00 C ATOM 848 C LEU A 54 6.914 -11.914 1.210 1.00 0.00 C ATOM 849 O LEU A 54 5.908 -12.263 1.793 1.00 0.00 O ATOM 850 CB LEU A 54 7.338 -10.956 -1.058 1.00 0.00 C ATOM 851 CG LEU A 54 6.405 -10.231 -2.030 1.00 0.00 C ATOM 852 CD1 LEU A 54 6.880 -10.470 -3.465 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.979 -10.768 -1.871 1.00 0.00 C ATOM 0 H LEU A 54 8.856 -9.670 0.499 1.00 0.00 H new ATOM 0 HA LEU A 54 5.969 -10.153 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.371 -10.660 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.281 -12.032 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 54 6.417 -9.163 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.216 -9.954 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.894 -10.088 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.868 -11.539 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.316 -10.250 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.966 -11.836 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.639 -10.600 -0.849 1.00 0.00 H new ATOM 865 N GLN A 55 8.000 -12.632 1.249 1.00 0.00 N ATOM 866 CA GLN A 55 8.019 -13.906 2.018 1.00 0.00 C ATOM 867 C GLN A 55 8.258 -13.644 3.509 1.00 0.00 C ATOM 868 O GLN A 55 7.911 -14.454 4.346 1.00 0.00 O ATOM 869 CB GLN A 55 9.126 -14.813 1.478 1.00 0.00 C ATOM 870 CG GLN A 55 8.920 -15.028 -0.023 1.00 0.00 C ATOM 871 CD GLN A 55 8.692 -16.514 -0.299 1.00 0.00 C ATOM 872 OE1 GLN A 55 7.666 -17.060 0.058 1.00 0.00 O ATOM 873 NE2 GLN A 55 9.610 -17.198 -0.924 1.00 0.00 N ATOM 0 H GLN A 55 8.875 -12.392 0.782 1.00 0.00 H new ATOM 0 HA GLN A 55 7.050 -14.391 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.102 -14.363 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.113 -15.770 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.065 -14.447 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.791 -14.674 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.471 -16.741 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.467 -18.190 -1.113 1.00 0.00 H new ATOM 882 N GLU A 56 8.858 -12.538 3.860 1.00 0.00 N ATOM 883 CA GLU A 56 9.117 -12.274 5.308 1.00 0.00 C ATOM 884 C GLU A 56 7.855 -11.735 5.999 1.00 0.00 C ATOM 885 O GLU A 56 7.927 -11.164 7.069 1.00 0.00 O ATOM 886 CB GLU A 56 10.266 -11.267 5.450 1.00 0.00 C ATOM 887 CG GLU A 56 9.742 -9.838 5.280 1.00 0.00 C ATOM 888 CD GLU A 56 9.551 -9.199 6.656 1.00 0.00 C ATOM 889 OE1 GLU A 56 10.510 -9.161 7.409 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.447 -8.758 6.935 1.00 0.00 O ATOM 0 H GLU A 56 9.177 -11.813 3.217 1.00 0.00 H new ATOM 0 HA GLU A 56 9.395 -13.212 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.736 -11.376 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.033 -11.472 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.443 -9.250 4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.797 -9.848 4.737 1.00 0.00 H new ATOM 897 N GLU A 57 6.700 -11.905 5.410 1.00 0.00 N ATOM 898 CA GLU A 57 5.460 -11.391 6.058 1.00 0.00 C ATOM 899 C GLU A 57 4.392 -12.487 6.088 1.00 0.00 C ATOM 900 O GLU A 57 3.997 -12.954 7.139 1.00 0.00 O ATOM 901 CB GLU A 57 4.934 -10.193 5.266 1.00 0.00 C ATOM 902 CG GLU A 57 5.075 -8.927 6.111 1.00 0.00 C ATOM 903 CD GLU A 57 4.755 -7.701 5.254 1.00 0.00 C ATOM 904 OE1 GLU A 57 5.209 -7.658 4.122 1.00 0.00 O ATOM 905 OE2 GLU A 57 4.060 -6.826 5.743 1.00 0.00 O ATOM 0 H GLU A 57 6.563 -12.374 4.515 1.00 0.00 H new ATOM 0 HA GLU A 57 5.690 -11.087 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.490 -10.086 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.889 -10.350 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.401 -8.971 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.088 -8.853 6.507 1.00 0.00 H new ATOM 912 N VAL A 58 3.921 -12.901 4.945 1.00 0.00 N ATOM 913 CA VAL A 58 2.877 -13.964 4.909 1.00 0.00 C ATOM 914 C VAL A 58 3.398 -15.144 4.081 1.00 0.00 C ATOM 915 O VAL A 58 2.997 -16.276 4.270 1.00 0.00 O ATOM 916 CB VAL A 58 1.599 -13.404 4.266 1.00 0.00 C ATOM 917 CG1 VAL A 58 1.307 -12.014 4.802 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.781 -13.325 2.762 1.00 0.00 C ATOM 0 H VAL A 58 4.214 -12.549 4.033 1.00 0.00 H new ATOM 0 HA VAL A 58 2.651 -14.298 5.922 1.00 0.00 H new ATOM 0 HB VAL A 58 0.767 -14.065 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.399 -11.629 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.171 -12.062 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.142 -11.352 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.874 -12.928 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.621 -12.669 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.979 -14.321 2.367 1.00 0.00 H new ATOM 928 N GLY A 59 4.292 -14.882 3.164 1.00 0.00 N ATOM 929 CA GLY A 59 4.847 -15.969 2.320 1.00 0.00 C ATOM 930 C GLY A 59 4.085 -16.040 0.996 1.00 0.00 C ATOM 931 O GLY A 59 3.486 -17.044 0.668 1.00 0.00 O ATOM 0 H GLY A 59 4.661 -13.952 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.906 -15.790 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.773 -16.922 2.844 1.00 0.00 H new ATOM 935 N ILE A 60 4.092 -14.977 0.236 1.00 0.00 N ATOM 936 CA ILE A 60 3.357 -14.986 -1.061 1.00 0.00 C ATOM 937 C ILE A 60 4.299 -15.330 -2.213 1.00 0.00 C ATOM 938 O ILE A 60 5.498 -15.435 -2.053 1.00 0.00 O ATOM 939 CB ILE A 60 2.745 -13.611 -1.340 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.766 -12.761 -0.083 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.301 -13.796 -1.801 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.800 -11.587 -0.238 1.00 0.00 C ATOM 0 H ILE A 60 4.574 -14.106 0.457 1.00 0.00 H new ATOM 0 HA ILE A 60 2.571 -15.738 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 60 3.326 -13.109 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.485 -13.364 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.775 -12.392 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.856 -12.822 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.283 -14.398 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.732 -14.301 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.818 -10.979 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.101 -10.978 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.791 -11.965 -0.401 1.00 0.00 H new ATOM 954 N THR A 61 3.742 -15.486 -3.381 1.00 0.00 N ATOM 955 CA THR A 61 4.555 -15.805 -4.587 1.00 0.00 C ATOM 956 C THR A 61 3.940 -15.113 -5.819 1.00 0.00 C ATOM 957 O THR A 61 3.855 -15.708 -6.875 1.00 0.00 O ATOM 958 CB THR A 61 4.497 -17.303 -4.811 1.00 0.00 C ATOM 959 OG1 THR A 61 5.339 -17.663 -5.898 1.00 0.00 O ATOM 960 CG2 THR A 61 3.051 -17.659 -5.128 1.00 0.00 C ATOM 0 H THR A 61 2.740 -15.404 -3.553 1.00 0.00 H new ATOM 0 HA THR A 61 5.581 -15.466 -4.444 1.00 0.00 H new ATOM 0 HB THR A 61 4.839 -17.840 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.121 -17.111 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.969 -18.733 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.414 -17.373 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.733 -17.126 -6.024 1.00 0.00 H new ATOM 968 N PRO A 62 3.511 -13.889 -5.645 1.00 0.00 N ATOM 969 CA PRO A 62 2.882 -13.111 -6.715 1.00 0.00 C ATOM 970 C PRO A 62 3.640 -13.277 -8.022 1.00 0.00 C ATOM 971 O PRO A 62 4.826 -13.028 -8.113 1.00 0.00 O ATOM 972 CB PRO A 62 2.910 -11.667 -6.209 1.00 0.00 C ATOM 973 CG PRO A 62 3.414 -11.712 -4.746 1.00 0.00 C ATOM 974 CD PRO A 62 3.632 -13.174 -4.380 1.00 0.00 C ATOM 0 HA PRO A 62 1.865 -13.437 -6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.568 -11.055 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.917 -11.220 -6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.342 -11.149 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.687 -11.254 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.612 -13.328 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.891 -13.517 -3.658 1.00 0.00 H new ATOM 982 N GLN A 63 2.953 -13.732 -9.028 1.00 0.00 N ATOM 983 CA GLN A 63 3.610 -13.962 -10.339 1.00 0.00 C ATOM 984 C GLN A 63 3.356 -12.795 -11.304 1.00 0.00 C ATOM 985 O GLN A 63 3.896 -12.776 -12.392 1.00 0.00 O ATOM 986 CB GLN A 63 3.060 -15.254 -10.947 1.00 0.00 C ATOM 987 CG GLN A 63 2.863 -16.293 -9.840 1.00 0.00 C ATOM 988 CD GLN A 63 2.091 -17.492 -10.393 1.00 0.00 C ATOM 989 OE1 GLN A 63 1.374 -18.154 -9.669 1.00 0.00 O ATOM 990 NE2 GLN A 63 2.209 -17.805 -11.655 1.00 0.00 N ATOM 0 H GLN A 63 1.958 -13.956 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 63 4.686 -14.041 -10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.113 -15.058 -11.450 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.748 -15.636 -11.701 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.830 -16.617 -9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.319 -15.851 -9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.810 -17.250 -12.264 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.700 -18.604 -12.032 1.00 0.00 H new ATOM 999 N HIS A 64 2.539 -11.826 -10.955 1.00 0.00 N ATOM 1000 CA HIS A 64 2.307 -10.719 -11.928 1.00 0.00 C ATOM 1001 C HIS A 64 2.348 -9.344 -11.252 1.00 0.00 C ATOM 1002 O HIS A 64 1.582 -8.465 -11.590 1.00 0.00 O ATOM 1003 CB HIS A 64 0.946 -10.912 -12.598 1.00 0.00 C ATOM 1004 CG HIS A 64 1.089 -10.711 -14.082 1.00 0.00 C ATOM 1005 ND1 HIS A 64 0.760 -11.701 -14.994 1.00 0.00 N ATOM 1006 CD2 HIS A 64 1.529 -9.645 -14.825 1.00 0.00 C ATOM 1007 CE1 HIS A 64 1.006 -11.215 -16.225 1.00 0.00 C ATOM 1008 NE2 HIS A 64 1.477 -9.965 -16.179 1.00 0.00 N ATOM 0 H HIS A 64 2.040 -11.757 -10.068 1.00 0.00 H new ATOM 0 HA HIS A 64 3.107 -10.752 -12.668 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.564 -11.911 -12.390 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.224 -10.204 -12.191 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.865 -8.701 -14.421 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.843 -11.768 -17.138 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.741 -9.373 -16.966 1.00 0.00 H new ATOM 1016 N PHE A 65 3.236 -9.130 -10.320 1.00 0.00 N ATOM 1017 CA PHE A 65 3.298 -7.791 -9.673 1.00 0.00 C ATOM 1018 C PHE A 65 4.046 -6.809 -10.554 1.00 0.00 C ATOM 1019 O PHE A 65 4.701 -7.162 -11.514 1.00 0.00 O ATOM 1020 CB PHE A 65 4.021 -7.855 -8.337 1.00 0.00 C ATOM 1021 CG PHE A 65 5.463 -8.254 -8.548 1.00 0.00 C ATOM 1022 CD1 PHE A 65 5.808 -9.604 -8.683 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.458 -7.269 -8.595 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.147 -9.969 -8.867 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.796 -7.633 -8.782 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.141 -8.982 -8.915 1.00 0.00 C ATOM 0 H PHE A 65 3.912 -9.815 -9.983 1.00 0.00 H new ATOM 0 HA PHE A 65 2.269 -7.465 -9.521 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.972 -6.886 -7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.528 -8.573 -7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.041 -10.364 -8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.192 -6.228 -8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.414 -11.010 -8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.562 -6.873 -8.824 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.174 -9.263 -9.055 1.00 0.00 H new ATOM 1036 N SER A 66 3.947 -5.571 -10.198 1.00 0.00 N ATOM 1037 CA SER A 66 4.641 -4.492 -10.955 1.00 0.00 C ATOM 1038 C SER A 66 4.662 -3.228 -10.093 1.00 0.00 C ATOM 1039 O SER A 66 3.724 -2.957 -9.369 1.00 0.00 O ATOM 1040 CB SER A 66 3.891 -4.214 -12.258 1.00 0.00 C ATOM 1041 OG SER A 66 3.691 -5.437 -12.952 1.00 0.00 O ATOM 0 H SER A 66 3.404 -5.247 -9.398 1.00 0.00 H new ATOM 0 HA SER A 66 5.660 -4.798 -11.192 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.932 -3.741 -12.046 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.459 -3.519 -12.877 1.00 0.00 H new ATOM 0 HG SER A 66 4.473 -6.014 -12.830 1.00 0.00 H new ATOM 1047 N LEU A 67 5.698 -2.436 -10.162 1.00 0.00 N ATOM 1048 CA LEU A 67 5.703 -1.199 -9.332 1.00 0.00 C ATOM 1049 C LEU A 67 4.745 -0.190 -9.946 1.00 0.00 C ATOM 1050 O LEU A 67 5.081 0.519 -10.874 1.00 0.00 O ATOM 1051 CB LEU A 67 7.093 -0.576 -9.264 1.00 0.00 C ATOM 1052 CG LEU A 67 6.987 0.768 -8.530 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.653 0.520 -7.056 1.00 0.00 C ATOM 1054 CD2 LEU A 67 8.318 1.514 -8.637 1.00 0.00 C ATOM 0 H LEU A 67 6.523 -2.587 -10.743 1.00 0.00 H new ATOM 0 HA LEU A 67 5.396 -1.466 -8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.781 -1.240 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.492 -0.429 -10.268 1.00 0.00 H new ATOM 0 HG LEU A 67 6.199 1.369 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.578 1.474 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.703 -0.010 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.440 -0.081 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.243 2.468 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.108 0.915 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.552 1.691 -9.687 1.00 0.00 H new ATOM 1066 N PHE A 68 3.559 -0.116 -9.431 1.00 0.00 N ATOM 1067 CA PHE A 68 2.575 0.850 -9.970 1.00 0.00 C ATOM 1068 C PHE A 68 3.266 2.199 -10.181 1.00 0.00 C ATOM 1069 O PHE A 68 3.640 2.561 -11.279 1.00 0.00 O ATOM 1070 CB PHE A 68 1.432 0.991 -8.955 1.00 0.00 C ATOM 1071 CG PHE A 68 0.802 2.356 -9.049 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.578 2.939 -10.302 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.452 3.043 -7.883 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.008 4.212 -10.385 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.121 4.312 -7.968 1.00 0.00 C ATOM 1076 CZ PHE A 68 -0.341 4.895 -9.217 1.00 0.00 C ATOM 0 H PHE A 68 3.226 -0.687 -8.654 1.00 0.00 H new ATOM 0 HA PHE A 68 2.176 0.505 -10.924 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.679 0.224 -9.139 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.813 0.829 -7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.845 2.406 -11.202 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.625 2.592 -6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.162 4.667 -11.350 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.394 4.843 -7.068 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.783 5.878 -9.281 1.00 0.00 H new ATOM 1086 N GLU A 69 3.418 2.942 -9.126 1.00 0.00 N ATOM 1087 CA GLU A 69 4.069 4.281 -9.234 1.00 0.00 C ATOM 1088 C GLU A 69 4.727 4.647 -7.901 1.00 0.00 C ATOM 1089 O GLU A 69 4.458 4.048 -6.879 1.00 0.00 O ATOM 1090 CB GLU A 69 3.006 5.329 -9.579 1.00 0.00 C ATOM 1091 CG GLU A 69 2.925 5.499 -11.097 1.00 0.00 C ATOM 1092 CD GLU A 69 2.038 6.702 -11.427 1.00 0.00 C ATOM 1093 OE1 GLU A 69 2.066 7.658 -10.669 1.00 0.00 O ATOM 1094 OE2 GLU A 69 1.346 6.646 -12.429 1.00 0.00 O ATOM 0 H GLU A 69 3.119 2.682 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 69 4.830 4.253 -10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.037 5.022 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.254 6.281 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.923 5.644 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.518 4.597 -11.554 1.00 0.00 H new ATOM 1101 N LYS A 70 5.595 5.623 -7.900 1.00 0.00 N ATOM 1102 CA LYS A 70 6.271 6.018 -6.632 1.00 0.00 C ATOM 1103 C LYS A 70 6.264 7.543 -6.481 1.00 0.00 C ATOM 1104 O LYS A 70 6.968 8.248 -7.176 1.00 0.00 O ATOM 1105 CB LYS A 70 7.717 5.517 -6.660 1.00 0.00 C ATOM 1106 CG LYS A 70 8.510 6.173 -5.528 1.00 0.00 C ATOM 1107 CD LYS A 70 9.686 5.276 -5.140 1.00 0.00 C ATOM 1108 CE LYS A 70 10.766 5.354 -6.218 1.00 0.00 C ATOM 1109 NZ LYS A 70 11.744 6.422 -5.865 1.00 0.00 N ATOM 0 H LYS A 70 5.865 6.163 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 70 5.739 5.577 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.739 4.433 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.175 5.751 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.874 7.151 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.864 6.337 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.094 5.589 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.348 4.246 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.276 4.395 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.313 5.566 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.479 6.476 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.252 7.336 -5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.184 6.201 -4.949 1.00 0.00 H new ATOM 1123 N LEU A 71 5.483 8.058 -5.565 1.00 0.00 N ATOM 1124 CA LEU A 71 5.447 9.536 -5.362 1.00 0.00 C ATOM 1125 C LEU A 71 6.345 9.907 -4.177 1.00 0.00 C ATOM 1126 O LEU A 71 7.117 9.100 -3.700 1.00 0.00 O ATOM 1127 CB LEU A 71 4.012 9.994 -5.077 1.00 0.00 C ATOM 1128 CG LEU A 71 3.295 8.974 -4.187 1.00 0.00 C ATOM 1129 CD1 LEU A 71 4.151 8.659 -2.958 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.956 9.563 -3.734 1.00 0.00 C ATOM 0 H LEU A 71 4.871 7.520 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 71 5.805 10.029 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.024 10.968 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.469 10.115 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 71 3.129 8.056 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.634 7.933 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.108 8.246 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.322 9.573 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.438 8.844 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.133 10.480 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.342 9.785 -4.607 1.00 0.00 H new ATOM 1142 N GLU A 72 6.251 11.118 -3.699 1.00 0.00 N ATOM 1143 CA GLU A 72 7.103 11.526 -2.544 1.00 0.00 C ATOM 1144 C GLU A 72 6.370 12.579 -1.709 1.00 0.00 C ATOM 1145 O GLU A 72 5.638 13.399 -2.226 1.00 0.00 O ATOM 1146 CB GLU A 72 8.415 12.120 -3.063 1.00 0.00 C ATOM 1147 CG GLU A 72 9.586 11.560 -2.253 1.00 0.00 C ATOM 1148 CD GLU A 72 10.853 12.359 -2.567 1.00 0.00 C ATOM 1149 OE1 GLU A 72 11.195 12.455 -3.735 1.00 0.00 O ATOM 1150 OE2 GLU A 72 11.460 12.860 -1.635 1.00 0.00 O ATOM 0 H GLU A 72 5.625 11.840 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 72 7.313 10.653 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.542 11.881 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.391 13.207 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.364 11.615 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.738 10.508 -2.493 1.00 0.00 H new ATOM 1157 N TYR A 73 6.572 12.568 -0.418 1.00 0.00 N ATOM 1158 CA TYR A 73 5.899 13.571 0.455 1.00 0.00 C ATOM 1159 C TYR A 73 6.913 14.112 1.465 1.00 0.00 C ATOM 1160 O TYR A 73 7.866 13.446 1.818 1.00 0.00 O ATOM 1161 CB TYR A 73 4.735 12.911 1.200 1.00 0.00 C ATOM 1162 CG TYR A 73 3.973 13.956 1.984 1.00 0.00 C ATOM 1163 CD1 TYR A 73 4.403 14.322 3.266 1.00 0.00 C ATOM 1164 CD2 TYR A 73 2.832 14.552 1.432 1.00 0.00 C ATOM 1165 CE1 TYR A 73 3.695 15.284 3.994 1.00 0.00 C ATOM 1166 CE2 TYR A 73 2.123 15.514 2.162 1.00 0.00 C ATOM 1167 CZ TYR A 73 2.555 15.881 3.443 1.00 0.00 C ATOM 1168 OH TYR A 73 1.854 16.828 4.163 1.00 0.00 O ATOM 0 H TYR A 73 7.176 11.906 0.070 1.00 0.00 H new ATOM 0 HA TYR A 73 5.513 14.388 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.070 12.418 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.111 12.141 1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.282 13.861 3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.499 14.270 0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.028 15.566 4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.243 15.973 1.737 1.00 0.00 H new ATOM 0 HH TYR A 73 1.889 16.606 5.117 1.00 0.00 H new ATOM 1178 N GLU A 74 6.722 15.316 1.927 1.00 0.00 N ATOM 1179 CA GLU A 74 7.680 15.898 2.907 1.00 0.00 C ATOM 1180 C GLU A 74 6.917 16.742 3.923 1.00 0.00 C ATOM 1181 O GLU A 74 6.330 17.754 3.598 1.00 0.00 O ATOM 1182 CB GLU A 74 8.695 16.774 2.169 1.00 0.00 C ATOM 1183 CG GLU A 74 9.724 17.314 3.164 1.00 0.00 C ATOM 1184 CD GLU A 74 10.935 17.862 2.406 1.00 0.00 C ATOM 1185 OE1 GLU A 74 10.766 18.255 1.263 1.00 0.00 O ATOM 1186 OE2 GLU A 74 12.010 17.880 2.983 1.00 0.00 O ATOM 0 H GLU A 74 5.944 15.922 1.668 1.00 0.00 H new ATOM 0 HA GLU A 74 8.205 15.095 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.194 16.195 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.185 17.600 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.278 18.100 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.037 16.522 3.845 1.00 0.00 H new ATOM 1193 N PHE A 75 6.930 16.329 5.157 1.00 0.00 N ATOM 1194 CA PHE A 75 6.224 17.089 6.214 1.00 0.00 C ATOM 1195 C PHE A 75 7.100 18.286 6.608 1.00 0.00 C ATOM 1196 O PHE A 75 8.223 18.391 6.160 1.00 0.00 O ATOM 1197 CB PHE A 75 6.018 16.153 7.405 1.00 0.00 C ATOM 1198 CG PHE A 75 4.636 15.538 7.344 1.00 0.00 C ATOM 1199 CD1 PHE A 75 3.502 16.302 7.654 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.491 14.195 6.972 1.00 0.00 C ATOM 1201 CE1 PHE A 75 2.228 15.722 7.592 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.216 13.617 6.910 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.085 14.381 7.219 1.00 0.00 C ATOM 0 H PHE A 75 7.406 15.487 5.479 1.00 0.00 H new ATOM 0 HA PHE A 75 5.256 17.455 5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.775 15.369 7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.139 16.704 8.337 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.610 17.338 7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.363 13.604 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.355 16.311 7.832 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.106 12.581 6.624 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.102 13.936 7.170 1.00 0.00 H new ATOM 1213 N PRO A 76 6.565 19.159 7.422 1.00 0.00 N ATOM 1214 CA PRO A 76 7.296 20.359 7.863 1.00 0.00 C ATOM 1215 C PRO A 76 8.589 19.989 8.599 1.00 0.00 C ATOM 1216 O PRO A 76 9.387 20.846 8.924 1.00 0.00 O ATOM 1217 CB PRO A 76 6.326 21.091 8.800 1.00 0.00 C ATOM 1218 CG PRO A 76 4.998 20.292 8.816 1.00 0.00 C ATOM 1219 CD PRO A 76 5.201 19.031 7.963 1.00 0.00 C ATOM 0 HA PRO A 76 7.600 20.977 7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.743 21.161 9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.155 22.111 8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.726 20.023 9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.183 20.896 8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.096 18.127 8.563 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.462 18.971 7.164 1.00 0.00 H new ATOM 1227 N ASP A 77 8.809 18.732 8.873 1.00 0.00 N ATOM 1228 CA ASP A 77 10.058 18.356 9.592 1.00 0.00 C ATOM 1229 C ASP A 77 10.486 16.908 9.295 1.00 0.00 C ATOM 1230 O ASP A 77 11.556 16.491 9.693 1.00 0.00 O ATOM 1231 CB ASP A 77 9.842 18.520 11.097 1.00 0.00 C ATOM 1232 CG ASP A 77 10.455 19.842 11.561 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.655 19.871 11.778 1.00 0.00 O ATOM 1234 OD2 ASP A 77 9.714 20.803 11.691 1.00 0.00 O ATOM 0 H ASP A 77 8.188 17.959 8.634 1.00 0.00 H new ATOM 0 HA ASP A 77 10.853 19.015 9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.777 18.501 11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.298 17.688 11.633 1.00 0.00 H new ATOM 1239 N ARG A 78 9.683 16.127 8.628 1.00 0.00 N ATOM 1240 CA ARG A 78 10.076 14.731 8.354 1.00 0.00 C ATOM 1241 C ARG A 78 9.869 14.413 6.875 1.00 0.00 C ATOM 1242 O ARG A 78 9.408 15.236 6.110 1.00 0.00 O ATOM 1243 CB ARG A 78 9.210 13.798 9.195 1.00 0.00 C ATOM 1244 CG ARG A 78 7.964 14.524 9.714 1.00 0.00 C ATOM 1245 CD ARG A 78 6.874 13.498 10.026 1.00 0.00 C ATOM 1246 NE ARG A 78 5.664 14.197 10.547 1.00 0.00 N ATOM 1247 CZ ARG A 78 5.791 15.231 11.335 1.00 0.00 C ATOM 1248 NH1 ARG A 78 6.468 15.124 12.445 1.00 0.00 N ATOM 1249 NH2 ARG A 78 5.241 16.371 11.012 1.00 0.00 N ATOM 0 H ARG A 78 8.771 16.402 8.263 1.00 0.00 H new ATOM 0 HA ARG A 78 11.128 14.594 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.911 12.937 8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.790 13.417 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.209 15.095 10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.607 15.236 8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.622 12.935 9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.236 12.780 10.761 1.00 0.00 H new ATOM 0 HE ARG A 78 4.735 13.867 10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.897 14.234 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.568 15.931 13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.712 16.454 10.144 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.341 17.178 11.628 1.00 0.00 H new ATOM 1263 N HIS A 79 10.201 13.219 6.468 1.00 0.00 N ATOM 1264 CA HIS A 79 10.016 12.843 5.042 1.00 0.00 C ATOM 1265 C HIS A 79 9.174 11.571 4.969 1.00 0.00 C ATOM 1266 O HIS A 79 9.036 10.850 5.943 1.00 0.00 O ATOM 1267 CB HIS A 79 11.379 12.595 4.393 1.00 0.00 C ATOM 1268 CG HIS A 79 12.303 13.736 4.717 1.00 0.00 C ATOM 1269 ND1 HIS A 79 13.338 13.611 5.631 1.00 0.00 N ATOM 1270 CD2 HIS A 79 12.360 15.029 4.259 1.00 0.00 C ATOM 1271 CE1 HIS A 79 13.967 14.799 5.694 1.00 0.00 C ATOM 1272 NE2 HIS A 79 13.412 15.699 4.878 1.00 0.00 N ATOM 0 H HIS A 79 10.592 12.489 7.063 1.00 0.00 H new ATOM 0 HA HIS A 79 9.511 13.650 4.512 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.801 11.657 4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.267 12.499 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.691 15.461 3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.818 15.000 6.328 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.697 16.668 4.738 1.00 0.00 H new ATOM 1280 N ILE A 80 8.608 11.286 3.832 1.00 0.00 N ATOM 1281 CA ILE A 80 7.773 10.062 3.712 1.00 0.00 C ATOM 1282 C ILE A 80 7.835 9.524 2.280 1.00 0.00 C ATOM 1283 O ILE A 80 6.889 9.639 1.525 1.00 0.00 O ATOM 1284 CB ILE A 80 6.326 10.402 4.067 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.248 10.809 5.541 1.00 0.00 C ATOM 1286 CG2 ILE A 80 5.441 9.177 3.832 1.00 0.00 C ATOM 1287 CD1 ILE A 80 6.606 9.610 6.420 1.00 0.00 C ATOM 0 H ILE A 80 8.687 11.846 2.983 1.00 0.00 H new ATOM 0 HA ILE A 80 8.151 9.301 4.394 1.00 0.00 H new ATOM 0 HB ILE A 80 5.981 11.225 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.931 11.635 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.245 11.162 5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.409 9.420 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.498 8.883 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.785 8.354 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.551 9.899 7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.905 8.797 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.618 9.278 6.188 1.00 0.00 H new ATOM 1299 N THR A 81 8.930 8.923 1.902 1.00 0.00 N ATOM 1300 CA THR A 81 9.021 8.368 0.522 1.00 0.00 C ATOM 1301 C THR A 81 8.284 7.027 0.498 1.00 0.00 C ATOM 1302 O THR A 81 8.395 6.235 1.413 1.00 0.00 O ATOM 1303 CB THR A 81 10.492 8.170 0.135 1.00 0.00 C ATOM 1304 OG1 THR A 81 11.103 9.440 -0.056 1.00 0.00 O ATOM 1305 CG2 THR A 81 10.574 7.364 -1.161 1.00 0.00 C ATOM 0 H THR A 81 9.758 8.793 2.483 1.00 0.00 H new ATOM 0 HA THR A 81 8.569 9.055 -0.193 1.00 0.00 H new ATOM 0 HB THR A 81 11.010 7.632 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.044 9.317 -0.302 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.619 7.223 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.103 6.392 -1.015 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.058 7.901 -1.957 1.00 0.00 H new ATOM 1313 N LEU A 82 7.508 6.772 -0.521 1.00 0.00 N ATOM 1314 CA LEU A 82 6.746 5.490 -0.564 1.00 0.00 C ATOM 1315 C LEU A 82 6.887 4.823 -1.935 1.00 0.00 C ATOM 1316 O LEU A 82 7.036 5.478 -2.947 1.00 0.00 O ATOM 1317 CB LEU A 82 5.269 5.785 -0.296 1.00 0.00 C ATOM 1318 CG LEU A 82 4.561 4.508 0.154 1.00 0.00 C ATOM 1319 CD1 LEU A 82 4.989 4.166 1.583 1.00 0.00 C ATOM 1320 CD2 LEU A 82 3.047 4.728 0.117 1.00 0.00 C ATOM 0 H LEU A 82 7.369 7.391 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 82 7.143 4.815 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.175 6.554 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.797 6.175 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 82 4.828 3.688 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.485 3.255 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.068 4.014 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.720 4.985 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.539 3.818 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.782 5.547 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.740 4.976 -0.899 1.00 0.00 H new ATOM 1332 N TRP A 83 6.822 3.519 -1.971 1.00 0.00 N ATOM 1333 CA TRP A 83 6.931 2.792 -3.270 1.00 0.00 C ATOM 1334 C TRP A 83 5.685 1.923 -3.444 1.00 0.00 C ATOM 1335 O TRP A 83 5.500 0.944 -2.749 1.00 0.00 O ATOM 1336 CB TRP A 83 8.175 1.892 -3.283 1.00 0.00 C ATOM 1337 CG TRP A 83 9.207 2.419 -2.337 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.066 2.491 -0.994 1.00 0.00 C ATOM 1339 CD2 TRP A 83 10.538 2.937 -2.638 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.221 3.027 -0.452 1.00 0.00 N ATOM 1341 CE2 TRP A 83 11.157 3.318 -1.425 1.00 0.00 C ATOM 1342 CE3 TRP A 83 11.260 3.114 -3.834 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 12.445 3.854 -1.398 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 12.558 3.654 -3.809 1.00 0.00 C ATOM 1345 CH2 TRP A 83 13.148 4.023 -2.594 1.00 0.00 C ATOM 0 H TRP A 83 6.697 2.923 -1.153 1.00 0.00 H new ATOM 0 HA TRP A 83 7.015 3.515 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.900 0.875 -3.002 1.00 0.00 H new ATOM 0 HB3 TRP A 83 8.587 1.844 -4.291 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.195 2.181 -0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.364 3.188 0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 83 10.814 2.833 -4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.896 4.137 -0.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.103 3.785 -4.732 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.145 4.438 -2.581 1.00 0.00 H new ATOM 1356 N PHE A 84 4.824 2.274 -4.356 1.00 0.00 N ATOM 1357 CA PHE A 84 3.591 1.467 -4.557 1.00 0.00 C ATOM 1358 C PHE A 84 3.913 0.224 -5.390 1.00 0.00 C ATOM 1359 O PHE A 84 3.782 0.246 -6.597 1.00 0.00 O ATOM 1360 CB PHE A 84 2.551 2.283 -5.331 1.00 0.00 C ATOM 1361 CG PHE A 84 1.963 3.378 -4.474 1.00 0.00 C ATOM 1362 CD1 PHE A 84 2.795 4.273 -3.788 1.00 0.00 C ATOM 1363 CD2 PHE A 84 0.573 3.509 -4.387 1.00 0.00 C ATOM 1364 CE1 PHE A 84 2.232 5.293 -3.011 1.00 0.00 C ATOM 1365 CE2 PHE A 84 0.013 4.530 -3.616 1.00 0.00 C ATOM 1366 CZ PHE A 84 0.840 5.422 -2.927 1.00 0.00 C ATOM 0 H PHE A 84 4.920 3.083 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 84 3.205 1.185 -3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.014 2.720 -6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.755 1.625 -5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.868 4.176 -3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.068 2.820 -4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.871 5.980 -2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.060 4.631 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.406 6.210 -2.330 1.00 0.00 H new ATOM 1376 N TRP A 85 4.302 -0.865 -4.783 1.00 0.00 N ATOM 1377 CA TRP A 85 4.575 -2.078 -5.607 1.00 0.00 C ATOM 1378 C TRP A 85 3.239 -2.818 -5.780 1.00 0.00 C ATOM 1379 O TRP A 85 2.936 -3.810 -5.150 1.00 0.00 O ATOM 1380 CB TRP A 85 5.690 -2.933 -4.964 1.00 0.00 C ATOM 1381 CG TRP A 85 5.144 -4.046 -4.131 1.00 0.00 C ATOM 1382 CD1 TRP A 85 4.533 -3.892 -2.939 1.00 0.00 C ATOM 1383 CD2 TRP A 85 5.169 -5.478 -4.399 1.00 0.00 C ATOM 1384 NE1 TRP A 85 4.168 -5.139 -2.461 1.00 0.00 N ATOM 1385 CE2 TRP A 85 4.538 -6.147 -3.325 1.00 0.00 C ATOM 1386 CE3 TRP A 85 5.667 -6.255 -5.461 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 4.405 -7.536 -3.303 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 5.536 -7.653 -5.442 1.00 0.00 C ATOM 1389 CH2 TRP A 85 4.906 -8.292 -4.365 1.00 0.00 C ATOM 0 H TRP A 85 4.440 -0.968 -3.778 1.00 0.00 H new ATOM 0 HA TRP A 85 4.957 -1.822 -6.595 1.00 0.00 H new ATOM 0 HB2 TRP A 85 6.325 -3.347 -5.748 1.00 0.00 H new ATOM 0 HB3 TRP A 85 6.322 -2.296 -4.345 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.357 -2.951 -2.439 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.684 -5.293 -1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 85 6.153 -5.773 -6.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.918 -8.023 -2.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 5.923 -8.239 -6.262 1.00 0.00 H new ATOM 0 HH2 TRP A 85 4.808 -9.368 -4.357 1.00 0.00 H new ATOM 1400 N LEU A 86 2.417 -2.263 -6.625 1.00 0.00 N ATOM 1401 CA LEU A 86 1.053 -2.808 -6.880 1.00 0.00 C ATOM 1402 C LEU A 86 1.116 -4.171 -7.574 1.00 0.00 C ATOM 1403 O LEU A 86 1.831 -4.360 -8.536 1.00 0.00 O ATOM 1404 CB LEU A 86 0.318 -1.806 -7.779 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.194 -2.034 -7.733 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.642 -2.270 -6.297 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.900 -0.791 -8.281 1.00 0.00 C ATOM 0 H LEU A 86 2.641 -1.428 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 86 0.533 -2.948 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.546 -0.789 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.673 -1.904 -8.805 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.446 -2.907 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.720 -2.431 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.135 -3.148 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.392 -1.400 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.979 -0.943 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.639 0.074 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.585 -0.618 -9.310 1.00 0.00 H new ATOM 1419 N VAL A 87 0.346 -5.116 -7.099 1.00 0.00 N ATOM 1420 CA VAL A 87 0.331 -6.471 -7.735 1.00 0.00 C ATOM 1421 C VAL A 87 -1.088 -7.038 -7.677 1.00 0.00 C ATOM 1422 O VAL A 87 -1.948 -6.499 -7.009 1.00 0.00 O ATOM 1423 CB VAL A 87 1.289 -7.407 -6.996 1.00 0.00 C ATOM 1424 CG1 VAL A 87 0.895 -7.495 -5.529 1.00 0.00 C ATOM 1425 CG2 VAL A 87 1.222 -8.809 -7.609 1.00 0.00 C ATOM 0 H VAL A 87 -0.275 -5.009 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 87 0.651 -6.386 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 87 2.302 -7.013 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.581 -8.163 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.942 -6.503 -5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.121 -7.882 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.906 -9.471 -7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.206 -9.195 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.506 -8.760 -8.660 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.355 -8.110 -8.379 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.739 -8.668 -8.350 1.00 0.00 C ATOM 1437 C GLU A 88 -2.740 -10.203 -8.413 1.00 0.00 C ATOM 1438 O GLU A 88 -3.721 -10.834 -8.070 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.527 -8.118 -9.540 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.080 -6.683 -9.832 1.00 0.00 C ATOM 1441 CD GLU A 88 -3.664 -6.232 -11.172 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -3.499 -6.954 -12.141 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -4.266 -5.171 -11.208 1.00 0.00 O ATOM 0 H GLU A 88 -0.687 -8.615 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.201 -8.370 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.366 -8.745 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.595 -8.140 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.413 -6.018 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.992 -6.628 -9.860 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.677 -10.823 -8.849 1.00 0.00 N ATOM 1451 CA ARG A 89 -1.676 -12.304 -8.922 1.00 0.00 C ATOM 1452 C ARG A 89 -0.721 -12.858 -7.877 1.00 0.00 C ATOM 1453 O ARG A 89 0.333 -12.306 -7.644 1.00 0.00 O ATOM 1454 CB ARG A 89 -1.207 -12.737 -10.308 1.00 0.00 C ATOM 1455 CG ARG A 89 -2.377 -13.357 -11.062 1.00 0.00 C ATOM 1456 CD ARG A 89 -3.161 -12.261 -11.787 1.00 0.00 C ATOM 1457 NE ARG A 89 -4.130 -12.882 -12.735 1.00 0.00 N ATOM 1458 CZ ARG A 89 -3.806 -13.965 -13.390 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -3.729 -15.109 -12.765 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -3.561 -13.902 -14.670 1.00 0.00 N ATOM 0 H ARG A 89 -0.817 -10.368 -9.155 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.682 -12.681 -8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.818 -11.880 -10.858 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.393 -13.456 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.012 -14.092 -11.780 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.030 -13.886 -10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.691 -11.640 -11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.476 -11.607 -12.327 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.048 -12.460 -12.873 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.922 -15.158 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.476 -15.954 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.623 -13.008 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.308 -14.747 -15.183 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.072 -13.948 -7.253 1.00 0.00 N ATOM 1475 CA TRP A 90 -0.158 -14.528 -6.238 1.00 0.00 C ATOM 1476 C TRP A 90 -0.762 -15.767 -5.608 1.00 0.00 C ATOM 1477 O TRP A 90 -1.783 -16.278 -6.022 1.00 0.00 O ATOM 1478 CB TRP A 90 0.134 -13.509 -5.133 1.00 0.00 C ATOM 1479 CG TRP A 90 -1.036 -13.407 -4.200 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -1.195 -14.149 -3.076 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.208 -12.541 -4.283 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -2.371 -13.782 -2.455 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -3.034 -12.802 -3.160 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.634 -11.562 -5.208 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.228 -12.125 -2.959 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -3.849 -10.879 -5.001 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -4.637 -11.165 -3.879 1.00 0.00 C ATOM 0 H TRP A 90 -1.944 -14.456 -7.402 1.00 0.00 H new ATOM 0 HA TRP A 90 0.768 -14.796 -6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 90 1.025 -13.807 -4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 90 0.343 -12.534 -5.573 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -0.510 -14.906 -2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -2.708 -14.187 -1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.029 -11.337 -6.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -4.836 -12.342 -2.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.174 -10.132 -5.710 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.567 -10.637 -3.727 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.100 -16.250 -4.608 1.00 0.00 N ATOM 1499 CA GLU A 91 -0.558 -17.462 -3.915 1.00 0.00 C ATOM 1500 C GLU A 91 -0.193 -17.380 -2.432 1.00 0.00 C ATOM 1501 O GLU A 91 0.837 -17.871 -2.011 1.00 0.00 O ATOM 1502 CB GLU A 91 0.161 -18.634 -4.542 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.643 -19.896 -4.287 1.00 0.00 C ATOM 1504 CD GLU A 91 -0.234 -20.981 -5.283 1.00 0.00 C ATOM 1505 OE1 GLU A 91 -0.167 -20.681 -6.463 1.00 0.00 O ATOM 1506 OE2 GLU A 91 0.004 -22.096 -4.847 1.00 0.00 O ATOM 0 H GLU A 91 0.758 -15.844 -4.236 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.639 -17.570 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.281 -18.473 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.161 -18.732 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.477 -20.244 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.708 -19.685 -4.382 1.00 0.00 H new ATOM 1513 N GLY A 92 -1.020 -16.769 -1.632 1.00 0.00 N ATOM 1514 CA GLY A 92 -0.703 -16.670 -0.180 1.00 0.00 C ATOM 1515 C GLY A 92 -1.655 -15.681 0.489 1.00 0.00 C ATOM 1516 O GLY A 92 -2.752 -15.444 0.020 1.00 0.00 O ATOM 0 H GLY A 92 -1.898 -16.336 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.793 -17.650 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.329 -16.345 -0.045 1.00 0.00 H new ATOM 1520 N GLU A 93 -1.253 -15.113 1.592 1.00 0.00 N ATOM 1521 CA GLU A 93 -2.130 -14.157 2.301 1.00 0.00 C ATOM 1522 C GLU A 93 -1.472 -12.763 2.329 1.00 0.00 C ATOM 1523 O GLU A 93 -0.580 -12.520 3.113 1.00 0.00 O ATOM 1524 CB GLU A 93 -2.352 -14.646 3.735 1.00 0.00 C ATOM 1525 CG GLU A 93 -1.367 -15.767 4.089 1.00 0.00 C ATOM 1526 CD GLU A 93 -1.760 -16.385 5.432 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -2.553 -17.311 5.426 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -1.261 -15.921 6.445 1.00 0.00 O ATOM 0 H GLU A 93 -0.347 -15.275 2.031 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.086 -14.089 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.229 -13.815 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.375 -15.006 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.372 -16.530 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.353 -15.371 4.141 1.00 0.00 H new ATOM 1535 N PRO A 94 -1.943 -11.891 1.473 1.00 0.00 N ATOM 1536 CA PRO A 94 -1.429 -10.507 1.353 1.00 0.00 C ATOM 1537 C PRO A 94 -1.092 -9.862 2.712 1.00 0.00 C ATOM 1538 O PRO A 94 -1.904 -9.818 3.616 1.00 0.00 O ATOM 1539 CB PRO A 94 -2.582 -9.768 0.654 1.00 0.00 C ATOM 1540 CG PRO A 94 -3.440 -10.846 -0.053 1.00 0.00 C ATOM 1541 CD PRO A 94 -3.050 -12.201 0.546 1.00 0.00 C ATOM 0 HA PRO A 94 -0.486 -10.469 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.179 -9.211 1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.198 -9.046 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.502 -10.651 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.262 -10.835 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.889 -12.660 1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.735 -12.901 -0.228 1.00 0.00 H new ATOM 1549 N TRP A 95 0.108 -9.328 2.837 1.00 0.00 N ATOM 1550 CA TRP A 95 0.527 -8.645 4.094 1.00 0.00 C ATOM 1551 C TRP A 95 0.510 -7.143 3.848 1.00 0.00 C ATOM 1552 O TRP A 95 -0.037 -6.664 2.875 1.00 0.00 O ATOM 1553 CB TRP A 95 1.965 -9.042 4.467 1.00 0.00 C ATOM 1554 CG TRP A 95 2.776 -9.275 3.230 1.00 0.00 C ATOM 1555 CD1 TRP A 95 3.203 -10.483 2.801 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.273 -8.299 2.264 1.00 0.00 C ATOM 1557 NE1 TRP A 95 3.930 -10.314 1.637 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.999 -8.987 1.263 1.00 0.00 C ATOM 1559 CE3 TRP A 95 3.167 -6.897 2.156 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.595 -8.310 0.195 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 3.771 -6.218 1.079 1.00 0.00 C ATOM 1562 CH2 TRP A 95 4.479 -6.926 0.105 1.00 0.00 C ATOM 0 H TRP A 95 0.819 -9.342 2.105 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.151 -8.930 4.898 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.423 -8.256 5.068 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.954 -9.944 5.078 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.008 -11.427 3.288 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.363 -11.078 1.117 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.620 -6.341 2.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.143 -8.858 -0.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.686 -5.144 1.006 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.937 -6.399 -0.719 1.00 0.00 H new ATOM 1573 N GLY A 96 1.127 -6.398 4.714 1.00 0.00 N ATOM 1574 CA GLY A 96 1.178 -4.933 4.531 1.00 0.00 C ATOM 1575 C GLY A 96 1.362 -4.283 5.904 1.00 0.00 C ATOM 1576 O GLY A 96 0.412 -4.022 6.615 1.00 0.00 O ATOM 0 H GLY A 96 1.601 -6.747 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.000 -4.662 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.261 -4.577 4.062 1.00 0.00 H new ATOM 1580 N LYS A 97 2.585 -4.032 6.285 1.00 0.00 N ATOM 1581 CA LYS A 97 2.855 -3.419 7.597 1.00 0.00 C ATOM 1582 C LYS A 97 2.293 -4.303 8.710 1.00 0.00 C ATOM 1583 O LYS A 97 1.099 -4.365 8.925 1.00 0.00 O ATOM 1584 CB LYS A 97 2.193 -2.060 7.644 1.00 0.00 C ATOM 1585 CG LYS A 97 2.560 -1.391 8.959 1.00 0.00 C ATOM 1586 CD LYS A 97 1.804 -0.069 9.105 1.00 0.00 C ATOM 1587 CE LYS A 97 2.733 0.981 9.715 1.00 0.00 C ATOM 1588 NZ LYS A 97 3.589 0.343 10.756 1.00 0.00 N ATOM 0 H LYS A 97 3.415 -4.232 5.727 1.00 0.00 H new ATOM 0 HA LYS A 97 3.931 -3.315 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.522 -1.449 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.111 -2.162 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.318 -2.051 9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.634 -1.211 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.446 0.267 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.927 -0.206 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.356 1.425 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.148 1.788 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.839 1.047 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.069 -0.440 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.457 -0.023 10.315 1.00 0.00 H new ATOM 1602 N GLU A 98 3.145 -4.988 9.421 1.00 0.00 N ATOM 1603 CA GLU A 98 2.658 -5.864 10.522 1.00 0.00 C ATOM 1604 C GLU A 98 2.105 -4.996 11.653 1.00 0.00 C ATOM 1605 O GLU A 98 2.845 -4.385 12.398 1.00 0.00 O ATOM 1606 CB GLU A 98 3.816 -6.715 11.050 1.00 0.00 C ATOM 1607 CG GLU A 98 3.409 -7.369 12.372 1.00 0.00 C ATOM 1608 CD GLU A 98 4.326 -8.560 12.658 1.00 0.00 C ATOM 1609 OE1 GLU A 98 5.530 -8.364 12.672 1.00 0.00 O ATOM 1610 OE2 GLU A 98 3.809 -9.647 12.857 1.00 0.00 O ATOM 0 H GLU A 98 4.156 -4.979 9.287 1.00 0.00 H new ATOM 0 HA GLU A 98 1.871 -6.518 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.081 -7.480 10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.700 -6.094 11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.474 -6.644 13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.372 -7.699 12.322 1.00 0.00 H new ATOM 1617 N GLY A 99 0.809 -4.938 11.791 1.00 0.00 N ATOM 1618 CA GLY A 99 0.209 -4.110 12.875 1.00 0.00 C ATOM 1619 C GLY A 99 -0.912 -3.248 12.299 1.00 0.00 C ATOM 1620 O GLY A 99 -1.688 -2.654 13.022 1.00 0.00 O ATOM 0 H GLY A 99 0.139 -5.429 11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.181 -4.753 13.664 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.972 -3.477 13.328 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.007 -3.180 11.003 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.081 -2.362 10.376 1.00 0.00 C ATOM 1626 C GLN A 100 -3.210 -3.288 9.907 1.00 0.00 C ATOM 1627 O GLN A 100 -3.041 -4.024 8.955 1.00 0.00 O ATOM 1628 CB GLN A 100 -1.512 -1.603 9.177 1.00 0.00 C ATOM 1629 CG GLN A 100 -1.858 -0.119 9.308 1.00 0.00 C ATOM 1630 CD GLN A 100 -1.018 0.694 8.322 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -0.757 1.860 8.545 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -0.582 0.126 7.233 1.00 0.00 N ATOM 0 H GLN A 100 -0.386 -3.656 10.348 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.469 -1.648 11.103 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.431 -1.733 9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.923 -2.004 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.919 0.036 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.670 0.220 10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.801 -0.852 7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.022 0.660 6.568 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.326 -3.236 10.594 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.490 -4.079 10.262 1.00 0.00 C ATOM 1643 C PRO A 101 -6.005 -3.758 8.855 1.00 0.00 C ATOM 1644 O PRO A 101 -6.859 -2.911 8.677 1.00 0.00 O ATOM 1645 CB PRO A 101 -6.548 -3.717 11.313 1.00 0.00 C ATOM 1646 CG PRO A 101 -5.952 -2.614 12.225 1.00 0.00 C ATOM 1647 CD PRO A 101 -4.519 -2.337 11.747 1.00 0.00 C ATOM 0 HA PRO A 101 -5.243 -5.141 10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.459 -3.363 10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.818 -4.594 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.555 -1.707 12.172 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.952 -2.937 13.266 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.393 -1.293 11.460 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.793 -2.541 12.534 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.505 -4.430 7.854 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.985 -4.157 6.469 1.00 0.00 C ATOM 1657 C GLY A 102 -7.220 -5.011 6.186 1.00 0.00 C ATOM 1658 O GLY A 102 -7.641 -5.787 7.021 1.00 0.00 O ATOM 0 H GLY A 102 -4.789 -5.152 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.226 -3.100 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.199 -4.383 5.748 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.824 -4.880 5.032 1.00 0.00 N ATOM 1663 CA GLU A 103 -9.039 -5.706 4.770 1.00 0.00 C ATOM 1664 C GLU A 103 -9.308 -5.829 3.271 1.00 0.00 C ATOM 1665 O GLU A 103 -8.609 -5.270 2.447 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.247 -5.059 5.451 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.326 -3.579 5.069 1.00 0.00 C ATOM 1668 CD GLU A 103 -11.543 -2.943 5.746 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -12.453 -3.678 6.094 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -11.543 -1.734 5.904 1.00 0.00 O ATOM 0 H GLU A 103 -7.538 -4.254 4.279 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.870 -6.705 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.162 -5.571 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.164 -5.161 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.415 -3.064 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.403 -3.475 3.987 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.323 -6.573 2.919 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.665 -6.761 1.482 1.00 0.00 C ATOM 1679 C TRP A 104 -11.607 -5.643 1.022 1.00 0.00 C ATOM 1680 O TRP A 104 -12.754 -5.581 1.420 1.00 0.00 O ATOM 1681 CB TRP A 104 -11.362 -8.114 1.301 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.515 -9.195 1.896 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -9.217 -9.059 2.250 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -10.882 -10.571 2.213 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -8.764 -10.261 2.762 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -9.753 -11.224 2.760 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -12.073 -11.308 2.079 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -9.801 -12.560 3.160 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -12.127 -12.654 2.481 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -10.993 -13.277 3.020 1.00 0.00 C ATOM 0 H TRP A 104 -10.934 -7.062 3.573 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.752 -6.732 0.887 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.340 -8.098 1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -11.530 -8.310 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -8.630 -8.158 2.149 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.814 -10.417 3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -12.952 -10.836 1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -8.925 -13.036 3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -13.046 -13.211 2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -11.040 -14.311 3.327 1.00 0.00 H new ATOM 1701 N MET A 105 -11.134 -4.766 0.180 1.00 0.00 N ATOM 1702 CA MET A 105 -11.998 -3.662 -0.314 1.00 0.00 C ATOM 1703 C MET A 105 -12.481 -4.007 -1.724 1.00 0.00 C ATOM 1704 O MET A 105 -11.768 -4.608 -2.502 1.00 0.00 O ATOM 1705 CB MET A 105 -11.190 -2.364 -0.352 1.00 0.00 C ATOM 1706 CG MET A 105 -11.993 -1.282 -1.074 1.00 0.00 C ATOM 1707 SD MET A 105 -11.420 0.350 -0.540 1.00 0.00 S ATOM 1708 CE MET A 105 -9.832 0.326 -1.407 1.00 0.00 C ATOM 0 H MET A 105 -10.182 -4.768 -0.187 1.00 0.00 H new ATOM 0 HA MET A 105 -12.854 -3.533 0.348 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.954 -2.041 0.662 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.241 -2.529 -0.863 1.00 0.00 H new ATOM 0 HG2 MET A 105 -11.876 -1.386 -2.153 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.055 -1.396 -0.856 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.471 1.347 -1.534 1.00 0.00 H new ATOM 0 HE2 MET A 105 -9.108 -0.245 -0.825 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.958 -0.138 -2.385 1.00 0.00 H new ATOM 1718 N SER A 106 -13.686 -3.640 -2.058 1.00 0.00 N ATOM 1719 CA SER A 106 -14.207 -3.961 -3.418 1.00 0.00 C ATOM 1720 C SER A 106 -13.537 -3.061 -4.457 1.00 0.00 C ATOM 1721 O SER A 106 -13.470 -1.857 -4.303 1.00 0.00 O ATOM 1722 CB SER A 106 -15.717 -3.733 -3.449 1.00 0.00 C ATOM 1723 OG SER A 106 -16.370 -4.967 -3.713 1.00 0.00 O ATOM 0 H SER A 106 -14.331 -3.134 -1.452 1.00 0.00 H new ATOM 0 HA SER A 106 -13.987 -5.003 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.055 -3.325 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.971 -3.002 -4.217 1.00 0.00 H new ATOM 0 HG SER A 106 -17.340 -4.826 -3.732 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.044 -3.637 -5.519 1.00 0.00 N ATOM 1730 CA LEU A 107 -12.385 -2.820 -6.574 1.00 0.00 C ATOM 1731 C LEU A 107 -13.298 -2.747 -7.799 1.00 0.00 C ATOM 1732 O LEU A 107 -12.919 -3.116 -8.891 1.00 0.00 O ATOM 1733 CB LEU A 107 -11.056 -3.464 -6.970 1.00 0.00 C ATOM 1734 CG LEU A 107 -10.463 -2.708 -8.162 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -9.177 -2.002 -7.729 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -10.147 -3.694 -9.288 1.00 0.00 C ATOM 0 H LEU A 107 -13.070 -4.640 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.199 -1.816 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.363 -3.441 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -11.209 -4.512 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 107 -11.183 -1.970 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.754 -1.464 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.401 -1.298 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.458 -2.741 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.725 -3.155 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.428 -4.433 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.062 -4.198 -9.598 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.498 -2.265 -7.626 1.00 0.00 N ATOM 1749 CA VAL A 108 -15.431 -2.159 -8.785 1.00 0.00 C ATOM 1750 C VAL A 108 -15.102 -0.882 -9.558 1.00 0.00 C ATOM 1751 O VAL A 108 -15.452 -0.724 -10.711 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.873 -2.098 -8.274 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -17.836 -2.025 -9.459 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -17.174 -3.352 -7.452 1.00 0.00 C ATOM 0 H VAL A 108 -14.873 -1.940 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 108 -15.322 -3.026 -9.437 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.998 -1.213 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.862 -1.982 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -17.623 -1.132 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -17.711 -2.909 -10.084 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.200 -3.310 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.047 -4.236 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.490 -3.405 -6.605 1.00 0.00 H new ATOM 1764 N GLY A 109 -14.422 0.024 -8.916 1.00 0.00 N ATOM 1765 CA GLY A 109 -14.041 1.304 -9.569 1.00 0.00 C ATOM 1766 C GLY A 109 -13.297 2.151 -8.541 1.00 0.00 C ATOM 1767 O GLY A 109 -13.603 3.308 -8.333 1.00 0.00 O ATOM 0 H GLY A 109 -14.109 -0.071 -7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.410 1.116 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.927 1.829 -9.926 1.00 0.00 H new ATOM 1771 N LEU A 110 -12.333 1.561 -7.883 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.560 2.289 -6.843 1.00 0.00 C ATOM 1773 C LEU A 110 -11.337 3.743 -7.263 1.00 0.00 C ATOM 1774 O LEU A 110 -11.133 4.043 -8.422 1.00 0.00 O ATOM 1775 CB LEU A 110 -10.207 1.603 -6.662 1.00 0.00 C ATOM 1776 CG LEU A 110 -10.056 1.130 -5.217 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.599 0.738 -4.961 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -10.453 2.259 -4.263 1.00 0.00 C ATOM 0 H LEU A 110 -12.048 0.592 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 110 -12.119 2.276 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.125 0.755 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.402 2.293 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.702 0.269 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.489 0.400 -3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.314 -0.066 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.955 1.601 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.345 1.920 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.808 3.121 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.490 2.541 -4.445 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.376 4.645 -6.324 1.00 0.00 N ATOM 1791 CA ASN A 111 -11.169 6.080 -6.654 1.00 0.00 C ATOM 1792 C ASN A 111 -10.503 6.776 -5.465 1.00 0.00 C ATOM 1793 O ASN A 111 -10.143 6.150 -4.488 1.00 0.00 O ATOM 1794 CB ASN A 111 -12.524 6.730 -6.931 1.00 0.00 C ATOM 1795 CG ASN A 111 -12.478 7.465 -8.272 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -12.057 6.909 -9.268 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -12.897 8.700 -8.344 1.00 0.00 N ATOM 0 H ASN A 111 -11.543 4.448 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 111 -10.533 6.171 -7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.306 5.971 -6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -12.774 7.427 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.871 9.196 -9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.251 9.168 -7.510 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.344 8.068 -5.534 1.00 0.00 N ATOM 1805 CA ALA A 112 -9.711 8.800 -4.400 1.00 0.00 C ATOM 1806 C ALA A 112 -10.753 9.031 -3.301 1.00 0.00 C ATOM 1807 O ALA A 112 -10.500 9.706 -2.322 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.188 10.150 -4.892 1.00 0.00 C ATOM 0 H ALA A 112 -10.624 8.649 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.884 8.211 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.725 10.685 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.450 9.990 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.016 10.739 -5.287 1.00 0.00 H new ATOM 1814 N ASP A 113 -11.928 8.484 -3.463 1.00 0.00 N ATOM 1815 CA ASP A 113 -12.996 8.672 -2.449 1.00 0.00 C ATOM 1816 C ASP A 113 -12.696 7.831 -1.209 1.00 0.00 C ATOM 1817 O ASP A 113 -12.752 8.310 -0.094 1.00 0.00 O ATOM 1818 CB ASP A 113 -14.322 8.221 -3.050 1.00 0.00 C ATOM 1819 CG ASP A 113 -15.467 9.024 -2.432 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -15.379 10.240 -2.432 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.414 8.409 -1.971 1.00 0.00 O ATOM 0 H ASP A 113 -12.192 7.910 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.045 9.722 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.309 8.361 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.472 7.157 -2.868 1.00 0.00 H new ATOM 1826 N ASP A 114 -12.378 6.580 -1.392 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.079 5.716 -0.222 1.00 0.00 C ATOM 1828 C ASP A 114 -10.655 5.988 0.242 1.00 0.00 C ATOM 1829 O ASP A 114 -10.264 5.623 1.332 1.00 0.00 O ATOM 1830 CB ASP A 114 -12.218 4.245 -0.618 1.00 0.00 C ATOM 1831 CG ASP A 114 -13.275 3.578 0.263 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.359 3.939 1.426 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -13.982 2.720 -0.238 1.00 0.00 O ATOM 0 H ASP A 114 -12.313 6.121 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.778 5.935 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.501 4.165 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.261 3.735 -0.506 1.00 0.00 H new ATOM 1838 N PHE A 115 -9.873 6.632 -0.574 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.475 6.923 -0.167 1.00 0.00 C ATOM 1840 C PHE A 115 -8.357 8.392 0.256 1.00 0.00 C ATOM 1841 O PHE A 115 -8.802 9.272 -0.454 1.00 0.00 O ATOM 1842 CB PHE A 115 -7.539 6.650 -1.340 1.00 0.00 C ATOM 1843 CG PHE A 115 -6.973 5.257 -1.213 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -5.831 5.039 -0.435 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.584 4.188 -1.878 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -5.297 3.751 -0.323 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.052 2.898 -1.764 1.00 0.00 C ATOM 1848 CZ PHE A 115 -5.907 2.681 -0.986 1.00 0.00 C ATOM 0 H PHE A 115 -10.139 6.968 -1.500 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.200 6.285 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.078 6.751 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.732 7.383 -1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.362 5.865 0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -8.465 4.358 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.414 3.583 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.523 2.071 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.495 1.687 -0.898 1.00 0.00 H new ATOM 1858 N PRO A 116 -7.762 8.615 1.404 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.578 9.977 1.938 1.00 0.00 C ATOM 1860 C PRO A 116 -6.680 10.796 0.997 1.00 0.00 C ATOM 1861 O PRO A 116 -5.945 10.238 0.206 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.905 9.772 3.303 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.675 8.253 3.495 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.231 7.538 2.257 1.00 0.00 C ATOM 0 HA PRO A 116 -8.516 10.525 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.958 10.310 3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.533 10.167 4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.613 8.039 3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.176 7.901 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.452 6.975 1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.012 6.828 2.528 1.00 0.00 H new ATOM 1872 N PRO A 117 -6.778 12.099 1.106 1.00 0.00 N ATOM 1873 CA PRO A 117 -5.990 13.026 0.267 1.00 0.00 C ATOM 1874 C PRO A 117 -4.488 12.801 0.465 1.00 0.00 C ATOM 1875 O PRO A 117 -4.069 11.874 1.126 1.00 0.00 O ATOM 1876 CB PRO A 117 -6.389 14.428 0.750 1.00 0.00 C ATOM 1877 CG PRO A 117 -7.429 14.258 1.887 1.00 0.00 C ATOM 1878 CD PRO A 117 -7.677 12.753 2.075 1.00 0.00 C ATOM 0 HA PRO A 117 -6.187 12.880 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.515 14.971 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -6.811 15.009 -0.070 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.061 14.703 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.358 14.770 1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.454 12.440 3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.719 12.497 1.883 1.00 0.00 H new ATOM 1886 N ALA A 118 -3.678 13.652 -0.109 1.00 0.00 N ATOM 1887 CA ALA A 118 -2.201 13.505 0.038 1.00 0.00 C ATOM 1888 C ALA A 118 -1.696 12.396 -0.889 1.00 0.00 C ATOM 1889 O ALA A 118 -0.518 12.102 -0.932 1.00 0.00 O ATOM 1890 CB ALA A 118 -1.864 13.148 1.487 1.00 0.00 C ATOM 0 H ALA A 118 -3.978 14.445 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.719 14.446 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.785 13.041 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.217 13.939 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.350 12.209 1.753 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.575 11.766 -1.619 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.146 10.671 -2.520 1.00 0.00 C ATOM 1898 C ASN A 119 -2.795 10.849 -3.899 1.00 0.00 C ATOM 1899 O ASN A 119 -3.371 9.935 -4.452 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.600 9.360 -1.899 1.00 0.00 C ATOM 1901 CG ASN A 119 -1.424 8.697 -1.184 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.774 7.829 -1.731 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -1.119 9.078 0.026 1.00 0.00 N ATOM 0 H ASN A 119 -3.575 11.967 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.063 10.679 -2.646 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.411 9.542 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.990 8.696 -2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.334 8.647 0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.666 9.807 0.484 1.00 0.00 H new ATOM 1910 N GLU A 120 -2.714 12.026 -4.449 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.330 12.290 -5.782 1.00 0.00 C ATOM 1912 C GLU A 120 -2.509 11.685 -6.944 1.00 0.00 C ATOM 1913 O GLU A 120 -3.083 11.193 -7.893 1.00 0.00 O ATOM 1914 CB GLU A 120 -3.438 13.803 -5.984 1.00 0.00 C ATOM 1915 CG GLU A 120 -4.495 14.371 -5.035 1.00 0.00 C ATOM 1916 CD GLU A 120 -5.761 14.709 -5.825 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.066 13.982 -6.755 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -6.404 15.689 -5.485 1.00 0.00 O ATOM 0 H GLU A 120 -2.242 12.827 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.312 11.817 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.474 14.275 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.705 14.024 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.724 13.647 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.113 15.264 -4.540 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.199 11.768 -6.869 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.318 11.258 -7.946 1.00 0.00 C ATOM 1927 C PRO A 121 -0.431 9.735 -8.103 1.00 0.00 C ATOM 1928 O PRO A 121 -0.175 9.197 -9.162 1.00 0.00 O ATOM 1929 CB PRO A 121 1.101 11.641 -7.505 1.00 0.00 C ATOM 1930 CG PRO A 121 0.993 12.353 -6.135 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.489 12.364 -5.728 1.00 0.00 C ATOM 0 HA PRO A 121 -0.590 11.680 -8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.729 10.754 -7.426 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.566 12.297 -8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.591 11.834 -5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.379 13.370 -6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.653 11.789 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.837 13.378 -5.532 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.799 9.031 -7.068 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.910 7.554 -7.178 1.00 0.00 C ATOM 1941 C VAL A 122 -2.380 7.170 -7.268 1.00 0.00 C ATOM 1942 O VAL A 122 -2.789 6.443 -8.147 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.290 6.900 -5.946 1.00 0.00 C ATOM 1944 CG1 VAL A 122 1.158 6.531 -6.248 1.00 0.00 C ATOM 1945 CG2 VAL A 122 -0.328 7.868 -4.767 1.00 0.00 C ATOM 0 H VAL A 122 -1.027 9.417 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.384 7.214 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.856 6.004 -5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.605 6.063 -5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.189 5.834 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.717 7.431 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.116 7.393 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.234 8.768 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.362 8.135 -4.549 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.178 7.662 -6.366 1.00 0.00 N ATOM 1956 CA ILE A 123 -4.628 7.346 -6.399 1.00 0.00 C ATOM 1957 C ILE A 123 -5.172 7.728 -7.769 1.00 0.00 C ATOM 1958 O ILE A 123 -5.999 7.044 -8.338 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.327 8.163 -5.323 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -4.705 7.816 -3.973 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.818 7.839 -5.317 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -5.148 6.420 -3.531 1.00 0.00 C ATOM 0 H ILE A 123 -2.886 8.273 -5.603 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.798 6.285 -6.219 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.207 9.228 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.618 7.855 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -5.002 8.553 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.315 8.426 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.247 8.081 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.959 6.778 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.698 6.184 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -6.234 6.395 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.828 5.686 -4.270 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.696 8.814 -8.308 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.168 9.241 -9.651 1.00 0.00 C ATOM 1976 C ALA A 124 -5.085 8.049 -10.604 1.00 0.00 C ATOM 1977 O ALA A 124 -5.959 7.828 -11.418 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.279 10.370 -10.169 1.00 0.00 C ATOM 0 H ALA A 124 -4.001 9.423 -7.876 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.197 9.595 -9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.625 10.683 -11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.327 11.215 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.250 10.019 -10.241 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.033 7.280 -10.505 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.887 6.101 -11.402 1.00 0.00 C ATOM 1986 C LYS A 125 -4.733 4.937 -10.871 1.00 0.00 C ATOM 1987 O LYS A 125 -5.286 4.163 -11.627 1.00 0.00 O ATOM 1988 CB LYS A 125 -2.416 5.677 -11.455 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.005 5.431 -12.910 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.434 4.024 -13.331 1.00 0.00 C ATOM 1991 CE LYS A 125 -3.078 4.079 -14.718 1.00 0.00 C ATOM 1992 NZ LYS A 125 -2.145 3.495 -15.724 1.00 0.00 N ATOM 0 H LYS A 125 -3.270 7.419 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.227 6.368 -12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.788 6.451 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.266 4.772 -10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.468 6.173 -13.560 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.926 5.541 -13.018 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.571 3.358 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.139 3.616 -12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.018 3.528 -14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.313 5.110 -14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.583 3.533 -16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.259 4.039 -15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.942 2.506 -15.476 1.00 0.00 H new ATOM 2006 N LEU A 126 -4.833 4.805 -9.576 1.00 0.00 N ATOM 2007 CA LEU A 126 -5.628 3.703 -8.988 1.00 0.00 C ATOM 2008 C LEU A 126 -7.120 3.987 -9.167 1.00 0.00 C ATOM 2009 O LEU A 126 -7.960 3.179 -8.825 1.00 0.00 O ATOM 2010 CB LEU A 126 -5.299 3.621 -7.503 1.00 0.00 C ATOM 2011 CG LEU A 126 -3.782 3.589 -7.311 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.434 4.082 -5.905 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -3.279 2.153 -7.484 1.00 0.00 C ATOM 0 H LEU A 126 -4.390 5.424 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.389 2.762 -9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.723 4.477 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -5.749 2.728 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.308 4.235 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.353 4.059 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.794 5.103 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.907 3.436 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.198 2.127 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.754 1.510 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.527 1.799 -8.485 1.00 0.00 H new ATOM 2025 N LYS A 127 -7.456 5.128 -9.700 1.00 0.00 N ATOM 2026 CA LYS A 127 -8.882 5.462 -9.901 1.00 0.00 C ATOM 2027 C LYS A 127 -9.491 4.482 -10.904 1.00 0.00 C ATOM 2028 O LYS A 127 -10.536 3.907 -10.671 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.968 6.884 -10.441 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.854 7.873 -9.281 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.737 9.092 -9.549 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.003 10.358 -9.105 1.00 0.00 C ATOM 2033 NZ LYS A 127 -9.248 11.448 -10.093 1.00 0.00 N ATOM 0 H LYS A 127 -6.796 5.844 -10.005 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.430 5.391 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.171 7.060 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.912 7.029 -10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.155 7.392 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.817 8.184 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.980 9.152 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.680 8.997 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.348 10.664 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.934 10.161 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.749 12.309 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.898 11.155 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.268 11.642 -10.150 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.841 4.284 -12.016 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.360 3.346 -13.029 1.00 0.00 C ATOM 2049 C ARG A 128 -8.984 1.913 -12.634 1.00 0.00 C ATOM 2050 O ARG A 128 -9.315 0.963 -13.315 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.733 3.698 -14.373 1.00 0.00 C ATOM 2052 CG ARG A 128 -9.549 4.809 -15.039 1.00 0.00 C ATOM 2053 CD ARG A 128 -9.158 4.923 -16.515 1.00 0.00 C ATOM 2054 NE ARG A 128 -8.842 6.345 -16.842 1.00 0.00 N ATOM 2055 CZ ARG A 128 -9.519 7.312 -16.283 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -10.824 7.296 -16.311 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -8.891 8.296 -15.700 1.00 0.00 N ATOM 0 H ARG A 128 -7.963 4.741 -12.262 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.445 3.419 -13.096 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.702 4.023 -14.232 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.704 2.818 -15.015 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -10.614 4.594 -14.951 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -9.372 5.757 -14.532 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -8.294 4.291 -16.722 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -9.972 4.567 -17.146 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.096 6.562 -17.503 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -11.315 6.528 -16.769 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -11.353 8.051 -15.874 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -7.871 8.310 -15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -9.420 9.051 -15.264 1.00 0.00 H new ATOM 2071 N LEU A 129 -8.290 1.753 -11.536 1.00 0.00 N ATOM 2072 CA LEU A 129 -7.888 0.388 -11.093 1.00 0.00 C ATOM 2073 C LEU A 129 -9.098 -0.548 -11.142 1.00 0.00 C ATOM 2074 O LEU A 129 -8.992 -1.589 -11.767 1.00 0.00 O ATOM 2075 CB LEU A 129 -7.359 0.460 -9.658 1.00 0.00 C ATOM 2076 CG LEU A 129 -6.248 -0.570 -9.465 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -4.923 0.008 -9.965 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -6.126 -0.905 -7.975 1.00 0.00 C ATOM 2079 OXT LEU A 129 -10.109 -0.209 -10.549 1.00 0.00 O ATOM 0 H LEU A 129 -7.985 2.512 -10.927 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.110 0.006 -11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.980 1.461 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.168 0.272 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.485 -1.473 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -4.130 -0.727 -9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.010 0.254 -11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.684 0.910 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.334 -1.640 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.887 0.000 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.070 -1.314 -7.615 1.00 0.00 H new