USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 MET CE :methyl 167:sc= -0.472 (180deg=-0.71) USER MOD Set 1.2: A 81 ASN : amide:sc= -0.141 K(o=-0.61,f=-1.2) USER MOD Single : A 7 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.0018) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.4!) USER MOD Single : A 27 ASN : amide:sc= 1.14 K(o=1.1,f=-0.066) USER MOD Single : A 28 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 31 ASN : amide:sc=-0.00205 X(o=-0.002,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.12) USER MOD Single : A 48 TYR OH : rot 90:sc= -0.623 USER MOD Single : A 50 MET CE :methyl -169:sc= -0.0192 (180deg=-0.37) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -9.76! C(o=-11!,f=-9.8!) USER MOD Single : A 65 TYR OH : rot -75:sc= 0.0965 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 150:sc= -3.28! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0589 USER MOD Single : A 97 THR OG1 : rot -140:sc=-0.00455 USER MOD Single : A 100 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -11.830 5.188 4.330 1.00 0.00 N ATOM 95 CA GLN A 7 -11.327 4.992 2.981 1.00 0.00 C ATOM 96 C GLN A 7 -10.815 6.314 2.407 1.00 0.00 C ATOM 97 O GLN A 7 -11.601 7.141 1.947 1.00 0.00 O ATOM 98 CB GLN A 7 -12.401 4.382 2.078 1.00 0.00 C ATOM 99 CG GLN A 7 -11.809 3.295 1.179 1.00 0.00 C ATOM 100 CD GLN A 7 -12.529 1.961 1.384 1.00 0.00 C ATOM 101 OE1 GLN A 7 -12.576 1.413 2.473 1.00 0.00 O ATOM 102 NE2 GLN A 7 -13.086 1.470 0.280 1.00 0.00 N ATOM 0 HA GLN A 7 -10.494 4.291 3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.198 3.959 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.851 5.162 1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.888 3.598 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.748 3.176 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.009 1.980 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.590 0.584 0.314 1.00 0.00 H new ATOM 111 N PHE A 8 -9.500 6.473 2.454 1.00 0.00 N ATOM 112 CA PHE A 8 -8.874 7.682 1.945 1.00 0.00 C ATOM 113 C PHE A 8 -8.663 7.594 0.432 1.00 0.00 C ATOM 114 O PHE A 8 -8.653 6.502 -0.135 1.00 0.00 O ATOM 115 CB PHE A 8 -7.512 7.803 2.631 1.00 0.00 C ATOM 116 CG PHE A 8 -7.411 8.974 3.611 1.00 0.00 C ATOM 117 CD1 PHE A 8 -8.047 10.145 3.338 1.00 0.00 C ATOM 118 CD2 PHE A 8 -6.686 8.844 4.754 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.954 11.232 4.247 1.00 0.00 C ATOM 120 CE2 PHE A 8 -6.593 9.931 5.663 1.00 0.00 C ATOM 121 CZ PHE A 8 -7.228 11.102 5.390 1.00 0.00 C ATOM 0 H PHE A 8 -8.851 5.785 2.836 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.510 8.544 2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.302 6.876 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.741 7.913 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.623 10.248 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.181 7.914 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.460 12.162 4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.018 9.828 6.571 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.156 11.929 6.081 1.00 0.00 H new ATOM 131 N ILE A 9 -8.500 8.758 -0.179 1.00 0.00 N ATOM 132 CA ILE A 9 -8.290 8.827 -1.615 1.00 0.00 C ATOM 133 C ILE A 9 -6.893 8.298 -1.948 1.00 0.00 C ATOM 134 O ILE A 9 -5.891 8.931 -1.620 1.00 0.00 O ATOM 135 CB ILE A 9 -8.548 10.245 -2.127 1.00 0.00 C ATOM 136 CG1 ILE A 9 -9.922 10.748 -1.681 1.00 0.00 C ATOM 137 CG2 ILE A 9 -8.376 10.320 -3.646 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.023 10.236 -2.612 1.00 0.00 C ATOM 0 H ILE A 9 -8.509 9.661 0.294 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.005 8.190 -2.135 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.804 10.907 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.121 10.418 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.928 11.838 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.565 11.339 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.359 10.033 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.082 9.642 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.989 10.608 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.835 10.588 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.030 9.146 -2.602 1.00 0.00 H new ATOM 150 N PHE A 10 -6.872 7.142 -2.595 1.00 0.00 N ATOM 151 CA PHE A 10 -5.615 6.520 -2.976 1.00 0.00 C ATOM 152 C PHE A 10 -5.821 5.519 -4.114 1.00 0.00 C ATOM 153 O PHE A 10 -6.850 4.849 -4.178 1.00 0.00 O ATOM 154 CB PHE A 10 -5.093 5.776 -1.745 1.00 0.00 C ATOM 155 CG PHE A 10 -3.604 5.994 -1.471 1.00 0.00 C ATOM 156 CD1 PHE A 10 -3.201 7.032 -0.691 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.683 5.148 -2.006 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.819 7.234 -0.436 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.301 5.351 -1.752 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.898 6.389 -0.971 1.00 0.00 C ATOM 0 H PHE A 10 -7.705 6.620 -2.865 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.913 7.280 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.663 6.094 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.276 4.709 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.932 7.703 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.003 4.322 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.499 8.059 0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.570 4.681 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.153 6.542 -0.776 1.00 0.00 H new ATOM 170 N LYS A 11 -4.825 5.449 -4.985 1.00 0.00 N ATOM 171 CA LYS A 11 -4.884 4.541 -6.118 1.00 0.00 C ATOM 172 C LYS A 11 -3.485 3.986 -6.394 1.00 0.00 C ATOM 173 O LYS A 11 -2.524 4.745 -6.512 1.00 0.00 O ATOM 174 CB LYS A 11 -5.521 5.231 -7.325 1.00 0.00 C ATOM 175 CG LYS A 11 -7.047 5.236 -7.211 1.00 0.00 C ATOM 176 CD LYS A 11 -7.586 6.665 -7.127 1.00 0.00 C ATOM 177 CE LYS A 11 -7.103 7.504 -8.312 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.024 8.637 -8.554 1.00 0.00 N ATOM 0 H LYS A 11 -3.973 6.006 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.526 3.690 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.155 6.255 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.223 4.720 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.481 4.730 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.351 4.676 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.676 6.646 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.261 7.126 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.099 7.880 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.040 6.881 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.682 9.196 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.975 8.272 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.063 9.240 -7.707 1.00 0.00 H new ATOM 192 N VAL A 12 -3.415 2.666 -6.490 1.00 0.00 N ATOM 193 CA VAL A 12 -2.149 2.001 -6.751 1.00 0.00 C ATOM 194 C VAL A 12 -2.343 0.962 -7.857 1.00 0.00 C ATOM 195 O VAL A 12 -3.243 0.128 -7.779 1.00 0.00 O ATOM 196 CB VAL A 12 -1.598 1.400 -5.456 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.839 -0.110 -5.406 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.111 1.724 -5.291 1.00 0.00 C ATOM 0 H VAL A 12 -4.214 2.039 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.406 2.717 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.134 1.852 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.438 -0.512 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.909 -0.309 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.342 -0.586 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.256 1.286 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.447 1.312 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.025 2.805 -5.260 1.00 0.00 H new ATOM 208 N THR A 13 -1.482 1.047 -8.861 1.00 0.00 N ATOM 209 CA THR A 13 -1.547 0.124 -9.982 1.00 0.00 C ATOM 210 C THR A 13 -1.309 -1.311 -9.506 1.00 0.00 C ATOM 211 O THR A 13 -0.858 -1.529 -8.383 1.00 0.00 O ATOM 212 CB THR A 13 -0.541 0.589 -11.036 1.00 0.00 C ATOM 213 OG1 THR A 13 0.728 0.379 -10.422 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.595 2.100 -11.271 1.00 0.00 C ATOM 0 H THR A 13 -0.736 1.740 -8.922 1.00 0.00 H new ATOM 0 HA THR A 13 -2.538 0.122 -10.436 1.00 0.00 H new ATOM 0 HB THR A 13 -0.733 0.068 -11.974 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.439 0.653 -11.038 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.139 2.377 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.592 2.380 -11.612 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.371 2.621 -10.340 1.00 0.00 H new ATOM 222 N ASP A 14 -1.624 -2.251 -10.384 1.00 0.00 N ATOM 223 CA ASP A 14 -1.450 -3.659 -10.068 1.00 0.00 C ATOM 224 C ASP A 14 0.040 -3.958 -9.896 1.00 0.00 C ATOM 225 O ASP A 14 0.415 -4.832 -9.116 1.00 0.00 O ATOM 226 CB ASP A 14 -1.983 -4.546 -11.195 1.00 0.00 C ATOM 227 CG ASP A 14 -3.494 -4.789 -11.167 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.209 -3.865 -10.724 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.898 -5.894 -11.589 1.00 0.00 O ATOM 0 H ASP A 14 -1.999 -2.066 -11.314 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.001 -3.870 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.721 -4.091 -12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.474 -5.509 -11.151 1.00 0.00 H new ATOM 234 N LYS A 15 0.850 -3.216 -10.637 1.00 0.00 N ATOM 235 CA LYS A 15 2.291 -3.391 -10.576 1.00 0.00 C ATOM 236 C LYS A 15 2.764 -3.192 -9.134 1.00 0.00 C ATOM 237 O LYS A 15 3.577 -3.966 -8.631 1.00 0.00 O ATOM 238 CB LYS A 15 2.986 -2.472 -11.583 1.00 0.00 C ATOM 239 CG LYS A 15 4.047 -3.234 -12.379 1.00 0.00 C ATOM 240 CD LYS A 15 3.398 -4.206 -13.367 1.00 0.00 C ATOM 241 CE LYS A 15 4.403 -5.258 -13.841 1.00 0.00 C ATOM 242 NZ LYS A 15 3.698 -6.429 -14.409 1.00 0.00 N ATOM 0 H LYS A 15 0.535 -2.492 -11.283 1.00 0.00 H new ATOM 0 HA LYS A 15 2.564 -4.406 -10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.248 -2.050 -12.265 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.450 -1.637 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.678 -2.528 -12.919 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.695 -3.783 -11.696 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.548 -4.697 -12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.011 -3.655 -14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.065 -4.825 -14.591 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.030 -5.573 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.394 -7.133 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.085 -6.851 -13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.119 -6.127 -15.218 1.00 0.00 H new ATOM 256 N ALA A 16 2.234 -2.150 -8.510 1.00 0.00 N ATOM 257 CA ALA A 16 2.592 -1.840 -7.136 1.00 0.00 C ATOM 258 C ALA A 16 2.021 -2.915 -6.210 1.00 0.00 C ATOM 259 O ALA A 16 2.744 -3.483 -5.392 1.00 0.00 O ATOM 260 CB ALA A 16 2.090 -0.438 -6.782 1.00 0.00 C ATOM 0 H ALA A 16 1.560 -1.510 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 16 3.675 -1.840 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.358 -0.205 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.548 0.292 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.006 -0.401 -6.892 1.00 0.00 H new ATOM 266 N VAL A 17 0.729 -3.162 -6.368 1.00 0.00 N ATOM 267 CA VAL A 17 0.053 -4.160 -5.556 1.00 0.00 C ATOM 268 C VAL A 17 0.775 -5.501 -5.698 1.00 0.00 C ATOM 269 O VAL A 17 1.069 -6.160 -4.701 1.00 0.00 O ATOM 270 CB VAL A 17 -1.426 -4.233 -5.941 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.014 -5.604 -5.600 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.223 -3.112 -5.271 1.00 0.00 C ATOM 0 H VAL A 17 0.132 -2.688 -7.046 1.00 0.00 H new ATOM 0 HA VAL A 17 0.087 -3.883 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.499 -4.096 -7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.066 -5.629 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.473 -6.378 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.923 -5.783 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.271 -3.187 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.139 -3.203 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.828 -2.146 -5.586 1.00 0.00 H new ATOM 282 N GLU A 18 1.039 -5.866 -6.944 1.00 0.00 N ATOM 283 CA GLU A 18 1.720 -7.117 -7.228 1.00 0.00 C ATOM 284 C GLU A 18 3.092 -7.141 -6.551 1.00 0.00 C ATOM 285 O GLU A 18 3.470 -8.140 -5.940 1.00 0.00 O ATOM 286 CB GLU A 18 1.850 -7.340 -8.736 1.00 0.00 C ATOM 287 CG GLU A 18 2.019 -8.827 -9.058 1.00 0.00 C ATOM 288 CD GLU A 18 3.452 -9.132 -9.500 1.00 0.00 C ATOM 289 OE1 GLU A 18 4.007 -8.296 -10.245 1.00 0.00 O ATOM 290 OE2 GLU A 18 3.960 -10.196 -9.083 1.00 0.00 O ATOM 0 H GLU A 18 0.793 -5.317 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 18 1.122 -7.933 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.966 -6.953 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.705 -6.782 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.770 -9.424 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.323 -9.114 -9.846 1.00 0.00 H new ATOM 297 N GLU A 19 3.800 -6.028 -6.681 1.00 0.00 N ATOM 298 CA GLU A 19 5.121 -5.909 -6.089 1.00 0.00 C ATOM 299 C GLU A 19 5.106 -6.423 -4.648 1.00 0.00 C ATOM 300 O GLU A 19 6.084 -7.004 -4.182 1.00 0.00 O ATOM 301 CB GLU A 19 5.621 -4.464 -6.150 1.00 0.00 C ATOM 302 CG GLU A 19 6.962 -4.316 -5.429 1.00 0.00 C ATOM 303 CD GLU A 19 6.775 -3.686 -4.047 1.00 0.00 C ATOM 304 OE1 GLU A 19 6.203 -2.575 -4.003 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.209 -4.328 -3.067 1.00 0.00 O ATOM 0 H GLU A 19 3.483 -5.201 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 19 5.812 -6.523 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.728 -4.156 -7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.885 -3.801 -5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.434 -5.293 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.634 -3.699 -6.026 1.00 0.00 H new ATOM 312 N ILE A 20 3.984 -6.189 -3.982 1.00 0.00 N ATOM 313 CA ILE A 20 3.828 -6.622 -2.604 1.00 0.00 C ATOM 314 C ILE A 20 3.489 -8.113 -2.576 1.00 0.00 C ATOM 315 O ILE A 20 3.926 -8.836 -1.682 1.00 0.00 O ATOM 316 CB ILE A 20 2.804 -5.745 -1.880 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.739 -4.349 -2.503 1.00 0.00 C ATOM 318 CG2 ILE A 20 3.094 -5.689 -0.378 1.00 0.00 C ATOM 319 CD1 ILE A 20 4.143 -3.795 -2.755 1.00 0.00 C ATOM 0 H ILE A 20 3.175 -5.705 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 20 4.763 -6.498 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 20 1.820 -6.198 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.187 -4.391 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.192 -3.677 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.352 -5.059 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.049 -6.695 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.088 -5.273 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.068 -2.802 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.684 -3.731 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.678 -4.457 -3.436 1.00 0.00 H new ATOM 331 N LYS A 21 2.714 -8.529 -3.567 1.00 0.00 N ATOM 332 CA LYS A 21 2.311 -9.922 -3.668 1.00 0.00 C ATOM 333 C LYS A 21 3.558 -10.807 -3.710 1.00 0.00 C ATOM 334 O LYS A 21 3.553 -11.919 -3.185 1.00 0.00 O ATOM 335 CB LYS A 21 1.373 -10.123 -4.860 1.00 0.00 C ATOM 336 CG LYS A 21 0.117 -9.262 -4.721 1.00 0.00 C ATOM 337 CD LYS A 21 -0.828 -9.837 -3.663 1.00 0.00 C ATOM 338 CE LYS A 21 -2.189 -10.179 -4.271 1.00 0.00 C ATOM 339 NZ LYS A 21 -2.293 -11.633 -4.525 1.00 0.00 N ATOM 0 H LYS A 21 2.354 -7.926 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 21 1.739 -10.218 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.893 -9.868 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.092 -11.174 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.398 -8.245 -4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.397 -9.205 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.387 -10.732 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.957 -9.116 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.985 -9.864 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.326 -9.630 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.223 -11.848 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.545 -11.924 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.184 -12.151 -3.630 1.00 0.00 H new ATOM 353 N LYS A 22 4.598 -10.280 -4.340 1.00 0.00 N ATOM 354 CA LYS A 22 5.850 -11.008 -4.457 1.00 0.00 C ATOM 355 C LYS A 22 6.577 -10.984 -3.111 1.00 0.00 C ATOM 356 O LYS A 22 7.128 -11.997 -2.681 1.00 0.00 O ATOM 357 CB LYS A 22 6.683 -10.458 -5.616 1.00 0.00 C ATOM 358 CG LYS A 22 8.174 -10.721 -5.393 1.00 0.00 C ATOM 359 CD LYS A 22 8.883 -11.015 -6.716 1.00 0.00 C ATOM 360 CE LYS A 22 10.400 -11.069 -6.526 1.00 0.00 C ATOM 361 NZ LYS A 22 11.089 -11.031 -7.835 1.00 0.00 N ATOM 0 H LYS A 22 4.599 -9.357 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 22 5.661 -12.054 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.364 -10.921 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.510 -9.386 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.632 -9.855 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.301 -11.564 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.530 -11.964 -7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.632 -10.246 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.726 -10.229 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.673 -11.979 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.118 -11.068 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.792 -11.847 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.843 -10.151 -8.332 1.00 0.00 H new ATOM 375 N VAL A 23 6.555 -9.818 -2.484 1.00 0.00 N ATOM 376 CA VAL A 23 7.206 -9.649 -1.195 1.00 0.00 C ATOM 377 C VAL A 23 6.501 -10.521 -0.155 1.00 0.00 C ATOM 378 O VAL A 23 7.152 -11.133 0.690 1.00 0.00 O ATOM 379 CB VAL A 23 7.233 -8.167 -0.814 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.005 -7.984 0.688 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.544 -7.512 -1.254 1.00 0.00 C ATOM 0 H VAL A 23 6.097 -8.981 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 23 8.244 -9.977 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 23 6.418 -7.670 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.029 -6.922 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.035 -8.398 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.789 -8.501 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.538 -6.459 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.382 -8.013 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.648 -7.597 -2.336 1.00 0.00 H new ATOM 391 N ALA A 24 5.180 -10.550 -0.250 1.00 0.00 N ATOM 392 CA ALA A 24 4.380 -11.337 0.672 1.00 0.00 C ATOM 393 C ALA A 24 4.490 -12.818 0.301 1.00 0.00 C ATOM 394 O ALA A 24 4.598 -13.675 1.177 1.00 0.00 O ATOM 395 CB ALA A 24 2.934 -10.837 0.650 1.00 0.00 C ATOM 0 H ALA A 24 4.643 -10.041 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 24 4.749 -11.224 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.334 -11.428 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.907 -9.789 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.530 -10.937 -0.357 1.00 0.00 H new ATOM 401 N GLN A 25 4.459 -13.073 -0.999 1.00 0.00 N ATOM 402 CA GLN A 25 4.554 -14.435 -1.497 1.00 0.00 C ATOM 403 C GLN A 25 5.813 -15.112 -0.952 1.00 0.00 C ATOM 404 O GLN A 25 5.761 -16.255 -0.500 1.00 0.00 O ATOM 405 CB GLN A 25 4.534 -14.462 -3.026 1.00 0.00 C ATOM 406 CG GLN A 25 3.103 -14.579 -3.555 1.00 0.00 C ATOM 407 CD GLN A 25 2.895 -15.907 -4.285 1.00 0.00 C ATOM 408 OE1 GLN A 25 3.832 -16.588 -4.668 1.00 0.00 O ATOM 409 NE2 GLN A 25 1.618 -16.236 -4.455 1.00 0.00 N ATOM 0 H GLN A 25 4.369 -12.360 -1.722 1.00 0.00 H new ATOM 0 HA GLN A 25 3.685 -14.992 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.996 -13.555 -3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.128 -15.302 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.398 -14.501 -2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.893 -13.751 -4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.882 -15.620 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.374 -17.105 -4.931 1.00 0.00 H new ATOM 418 N GLU A 26 6.914 -14.379 -1.013 1.00 0.00 N ATOM 419 CA GLU A 26 8.184 -14.895 -0.531 1.00 0.00 C ATOM 420 C GLU A 26 8.136 -15.093 0.985 1.00 0.00 C ATOM 421 O GLU A 26 8.939 -15.839 1.543 1.00 0.00 O ATOM 422 CB GLU A 26 9.337 -13.970 -0.927 1.00 0.00 C ATOM 423 CG GLU A 26 10.666 -14.728 -0.945 1.00 0.00 C ATOM 424 CD GLU A 26 11.826 -13.810 -0.552 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.953 -13.544 0.662 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.559 -13.395 -1.476 1.00 0.00 O ATOM 0 H GLU A 26 6.953 -13.432 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 26 8.361 -15.864 -0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.144 -13.543 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.398 -13.138 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.617 -15.572 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.842 -15.137 -1.940 1.00 0.00 H new ATOM 433 N ASN A 27 7.187 -14.411 1.609 1.00 0.00 N ATOM 434 CA ASN A 27 7.024 -14.502 3.050 1.00 0.00 C ATOM 435 C ASN A 27 5.803 -15.368 3.367 1.00 0.00 C ATOM 436 O ASN A 27 5.429 -15.520 4.529 1.00 0.00 O ATOM 437 CB ASN A 27 6.796 -13.121 3.668 1.00 0.00 C ATOM 438 CG ASN A 27 8.126 -12.407 3.919 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.909 -12.782 4.776 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.336 -11.360 3.127 1.00 0.00 N ATOM 0 H ASN A 27 6.523 -13.793 1.143 1.00 0.00 H new ATOM 0 HA ASN A 27 7.933 -14.937 3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.176 -12.519 3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.251 -13.224 4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.195 -10.817 3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.639 -11.100 2.430 1.00 0.00 H new ATOM 447 N ASN A 28 5.215 -15.914 2.312 1.00 0.00 N ATOM 448 CA ASN A 28 4.044 -16.762 2.463 1.00 0.00 C ATOM 449 C ASN A 28 2.917 -15.956 3.112 1.00 0.00 C ATOM 450 O ASN A 28 2.109 -16.503 3.860 1.00 0.00 O ATOM 451 CB ASN A 28 4.345 -17.962 3.362 1.00 0.00 C ATOM 452 CG ASN A 28 3.336 -19.088 3.130 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.741 -19.215 2.072 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.178 -19.897 4.174 1.00 0.00 N ATOM 0 H ASN A 28 5.528 -15.786 1.350 1.00 0.00 H new ATOM 0 HA ASN A 28 3.754 -17.117 1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.353 -18.326 3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.317 -17.654 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.527 -20.680 4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.708 -19.734 5.030 1.00 0.00 H new ATOM 461 N ILE A 29 2.900 -14.668 2.802 1.00 0.00 N ATOM 462 CA ILE A 29 1.885 -13.781 3.345 1.00 0.00 C ATOM 463 C ILE A 29 0.728 -13.666 2.350 1.00 0.00 C ATOM 464 O ILE A 29 0.950 -13.532 1.148 1.00 0.00 O ATOM 465 CB ILE A 29 2.501 -12.434 3.730 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.418 -12.578 4.947 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.416 -11.378 3.952 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.267 -11.321 5.145 1.00 0.00 C ATOM 0 H ILE A 29 3.573 -14.217 2.182 1.00 0.00 H new ATOM 0 HA ILE A 29 1.473 -14.193 4.267 1.00 0.00 H new ATOM 0 HB ILE A 29 3.119 -12.091 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.819 -12.761 5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.068 -13.443 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.881 -10.430 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.840 -11.249 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.753 -11.701 4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.909 -11.449 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.883 -11.155 4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.614 -10.462 5.299 1.00 0.00 H new ATOM 480 N GLU A 30 -0.481 -13.723 2.889 1.00 0.00 N ATOM 481 CA GLU A 30 -1.673 -13.627 2.064 1.00 0.00 C ATOM 482 C GLU A 30 -2.442 -12.345 2.389 1.00 0.00 C ATOM 483 O GLU A 30 -3.532 -12.121 1.865 1.00 0.00 O ATOM 484 CB GLU A 30 -2.562 -14.860 2.239 1.00 0.00 C ATOM 485 CG GLU A 30 -2.761 -15.587 0.908 1.00 0.00 C ATOM 486 CD GLU A 30 -3.266 -17.014 1.132 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.402 -17.902 1.298 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.504 -17.184 1.134 1.00 0.00 O ATOM 0 H GLU A 30 -0.661 -13.834 3.887 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.366 -13.587 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.111 -15.538 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.530 -14.561 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.474 -15.038 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.819 -15.613 0.359 1.00 0.00 H new ATOM 495 N ASN A 31 -1.844 -11.537 3.252 1.00 0.00 N ATOM 496 CA ASN A 31 -2.460 -10.284 3.654 1.00 0.00 C ATOM 497 C ASN A 31 -1.366 -9.280 4.026 1.00 0.00 C ATOM 498 O ASN A 31 -1.175 -8.973 5.201 1.00 0.00 O ATOM 499 CB ASN A 31 -3.359 -10.478 4.876 1.00 0.00 C ATOM 500 CG ASN A 31 -4.827 -10.599 4.464 1.00 0.00 C ATOM 501 OD1 ASN A 31 -5.489 -9.627 4.139 1.00 0.00 O ATOM 502 ND2 ASN A 31 -5.297 -11.843 4.494 1.00 0.00 N ATOM 0 H ASN A 31 -0.939 -11.726 3.684 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.060 -9.921 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.055 -11.374 5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.237 -9.637 5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.266 -12.028 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.688 -12.611 4.776 1.00 0.00 H new ATOM 509 N PRO A 32 -0.660 -8.784 2.975 1.00 0.00 N ATOM 510 CA PRO A 32 0.409 -7.822 3.180 1.00 0.00 C ATOM 511 C PRO A 32 -0.154 -6.436 3.499 1.00 0.00 C ATOM 512 O PRO A 32 -0.924 -5.879 2.717 1.00 0.00 O ATOM 513 CB PRO A 32 1.218 -7.852 1.893 1.00 0.00 C ATOM 514 CG PRO A 32 0.311 -8.479 0.846 1.00 0.00 C ATOM 515 CD PRO A 32 -0.859 -9.126 1.570 1.00 0.00 C ATOM 0 HA PRO A 32 1.037 -8.068 4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.519 -6.847 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.131 -8.435 2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.044 -7.722 0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.857 -9.221 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.812 -8.746 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.868 -10.206 1.423 1.00 0.00 H new ATOM 523 N ILE A 33 0.250 -5.918 4.650 1.00 0.00 N ATOM 524 CA ILE A 33 -0.205 -4.608 5.082 1.00 0.00 C ATOM 525 C ILE A 33 0.913 -3.587 4.863 1.00 0.00 C ATOM 526 O ILE A 33 1.803 -3.446 5.701 1.00 0.00 O ATOM 527 CB ILE A 33 -0.711 -4.666 6.525 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.811 -5.718 6.678 1.00 0.00 C ATOM 529 CG2 ILE A 33 -1.168 -3.286 7.002 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.837 -6.282 8.101 1.00 0.00 C ATOM 0 H ILE A 33 0.888 -6.382 5.297 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.056 -4.283 4.483 1.00 0.00 H new ATOM 0 HB ILE A 33 0.117 -4.970 7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.778 -5.275 6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.647 -6.527 5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.523 -3.356 8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.332 -2.589 6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.976 -2.929 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.628 -7.028 8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.877 -6.746 8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.025 -5.475 8.809 1.00 0.00 H new ATOM 542 N LEU A 34 0.831 -2.900 3.733 1.00 0.00 N ATOM 543 CA LEU A 34 1.824 -1.896 3.394 1.00 0.00 C ATOM 544 C LEU A 34 1.361 -0.531 3.908 1.00 0.00 C ATOM 545 O LEU A 34 0.189 -0.181 3.779 1.00 0.00 O ATOM 546 CB LEU A 34 2.119 -1.919 1.893 1.00 0.00 C ATOM 547 CG LEU A 34 2.194 -3.304 1.246 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.048 -4.256 2.086 1.00 0.00 C ATOM 549 CD2 LEU A 34 0.794 -3.865 0.988 1.00 0.00 C ATOM 0 H LEU A 34 0.092 -3.019 3.041 1.00 0.00 H new ATOM 0 HA LEU A 34 2.771 -2.118 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.348 -1.342 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.066 -1.407 1.721 1.00 0.00 H new ATOM 0 HG LEU A 34 2.683 -3.203 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.085 -5.233 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.058 -3.857 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.610 -4.358 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.876 -4.850 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.256 -3.949 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.251 -3.196 0.320 1.00 0.00 H new ATOM 561 N ARG A 35 2.305 0.201 4.481 1.00 0.00 N ATOM 562 CA ARG A 35 2.008 1.520 5.015 1.00 0.00 C ATOM 563 C ARG A 35 2.626 2.603 4.129 1.00 0.00 C ATOM 564 O ARG A 35 3.632 2.366 3.463 1.00 0.00 O ATOM 565 CB ARG A 35 2.543 1.670 6.440 1.00 0.00 C ATOM 566 CG ARG A 35 2.495 3.130 6.893 1.00 0.00 C ATOM 567 CD ARG A 35 2.717 3.244 8.403 1.00 0.00 C ATOM 568 NE ARG A 35 4.164 3.183 8.707 1.00 0.00 N ATOM 569 CZ ARG A 35 4.666 2.942 9.926 1.00 0.00 C ATOM 570 NH1 ARG A 35 3.841 2.739 10.962 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.993 2.905 10.110 1.00 0.00 N ATOM 0 H ARG A 35 3.276 -0.094 4.587 1.00 0.00 H new ATOM 0 HA ARG A 35 0.924 1.635 5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.954 1.055 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.569 1.304 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.257 3.703 6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.531 3.564 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.299 4.181 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.194 2.438 8.918 1.00 0.00 H new ATOM 0 HE ARG A 35 4.820 3.334 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.831 2.768 10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.223 2.556 11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.622 3.060 9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.374 2.722 11.038 1.00 0.00 H new ATOM 585 N ILE A 36 1.997 3.769 4.150 1.00 0.00 N ATOM 586 CA ILE A 36 2.473 4.890 3.357 1.00 0.00 C ATOM 587 C ILE A 36 3.491 5.690 4.171 1.00 0.00 C ATOM 588 O ILE A 36 3.220 6.069 5.310 1.00 0.00 O ATOM 589 CB ILE A 36 1.296 5.727 2.851 1.00 0.00 C ATOM 590 CG1 ILE A 36 0.230 4.839 2.204 1.00 0.00 C ATOM 591 CG2 ILE A 36 1.773 6.831 1.907 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.874 3.721 1.381 1.00 0.00 C ATOM 0 H ILE A 36 1.162 3.962 4.703 1.00 0.00 H new ATOM 0 HA ILE A 36 2.988 4.533 2.465 1.00 0.00 H new ATOM 0 HB ILE A 36 0.832 6.216 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.406 4.407 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.412 5.443 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.916 7.410 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.466 7.487 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.277 6.384 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.095 3.105 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.490 4.157 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.496 3.104 2.029 1.00 0.00 H new ATOM 604 N ARG A 37 4.641 5.924 3.556 1.00 0.00 N ATOM 605 CA ARG A 37 5.701 6.672 4.210 1.00 0.00 C ATOM 606 C ARG A 37 6.561 7.393 3.170 1.00 0.00 C ATOM 607 O ARG A 37 7.148 6.756 2.297 1.00 0.00 O ATOM 608 CB ARG A 37 6.590 5.751 5.048 1.00 0.00 C ATOM 609 CG ARG A 37 6.895 6.374 6.411 1.00 0.00 C ATOM 610 CD ARG A 37 6.273 5.552 7.542 1.00 0.00 C ATOM 611 NE ARG A 37 6.800 6.006 8.848 1.00 0.00 N ATOM 612 CZ ARG A 37 6.420 7.137 9.459 1.00 0.00 C ATOM 613 NH1 ARG A 37 5.508 7.934 8.886 1.00 0.00 N ATOM 614 NH2 ARG A 37 6.952 7.469 10.643 1.00 0.00 N ATOM 0 H ARG A 37 4.862 5.609 2.611 1.00 0.00 H new ATOM 0 HA ARG A 37 5.233 7.403 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.095 4.790 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.522 5.557 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.974 6.436 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.510 7.393 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.188 5.655 7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.495 4.495 7.399 1.00 0.00 H new ATOM 0 HE ARG A 37 7.496 5.422 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.103 7.680 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.219 8.795 9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.646 6.861 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.663 8.329 11.109 1.00 0.00 H new ATOM 628 N VAL A 38 6.609 8.710 3.299 1.00 0.00 N ATOM 629 CA VAL A 38 7.388 9.524 2.381 1.00 0.00 C ATOM 630 C VAL A 38 8.871 9.413 2.741 1.00 0.00 C ATOM 631 O VAL A 38 9.258 9.664 3.882 1.00 0.00 O ATOM 632 CB VAL A 38 6.876 10.966 2.396 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.762 11.871 1.538 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.417 11.034 1.940 1.00 0.00 C ATOM 0 H VAL A 38 6.121 9.234 4.025 1.00 0.00 H new ATOM 0 HA VAL A 38 7.273 9.163 1.359 1.00 0.00 H new ATOM 0 HB VAL A 38 6.923 11.328 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.376 12.890 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.780 11.858 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.762 11.511 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.078 12.070 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.334 10.644 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.798 10.437 2.610 1.00 0.00 H new ATOM 644 N VAL A 39 9.662 9.037 1.746 1.00 0.00 N ATOM 645 CA VAL A 39 11.094 8.890 1.944 1.00 0.00 C ATOM 646 C VAL A 39 11.809 10.128 1.401 1.00 0.00 C ATOM 647 O VAL A 39 11.484 10.613 0.318 1.00 0.00 O ATOM 648 CB VAL A 39 11.579 7.589 1.301 1.00 0.00 C ATOM 649 CG1 VAL A 39 13.076 7.656 0.990 1.00 0.00 C ATOM 650 CG2 VAL A 39 11.257 6.385 2.188 1.00 0.00 C ATOM 0 H VAL A 39 9.338 8.830 0.801 1.00 0.00 H new ATOM 0 HA VAL A 39 11.328 8.820 3.006 1.00 0.00 H new ATOM 0 HB VAL A 39 11.046 7.462 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.395 6.719 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.268 8.479 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.632 7.818 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.612 5.474 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.750 6.502 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.179 6.320 2.336 1.00 0.00 H new ATOM 660 N PRO A 40 12.796 10.618 2.198 1.00 0.00 N ATOM 661 CA PRO A 40 13.560 11.791 1.809 1.00 0.00 C ATOM 662 C PRO A 40 14.570 11.448 0.711 1.00 0.00 C ATOM 663 O PRO A 40 15.756 11.273 0.986 1.00 0.00 O ATOM 664 CB PRO A 40 14.218 12.275 3.091 1.00 0.00 C ATOM 665 CG PRO A 40 14.176 11.098 4.051 1.00 0.00 C ATOM 666 CD PRO A 40 13.209 10.070 3.487 1.00 0.00 C ATOM 0 HA PRO A 40 12.937 12.574 1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.244 12.593 2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.687 13.134 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.169 10.664 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.853 11.423 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.688 9.098 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.354 9.926 4.148 1.00 0.00 H new ATOM 737 N GLN A 47 8.745 9.744 -3.617 1.00 0.00 N ATOM 738 CA GLN A 47 7.944 8.546 -3.805 1.00 0.00 C ATOM 739 C GLN A 47 8.016 7.659 -2.561 1.00 0.00 C ATOM 740 O GLN A 47 9.083 7.154 -2.214 1.00 0.00 O ATOM 741 CB GLN A 47 8.390 7.779 -5.052 1.00 0.00 C ATOM 742 CG GLN A 47 9.912 7.629 -5.089 1.00 0.00 C ATOM 743 CD GLN A 47 10.551 8.728 -5.939 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.265 9.589 -5.452 1.00 0.00 O ATOM 745 NE2 GLN A 47 10.256 8.651 -7.234 1.00 0.00 N ATOM 0 HA GLN A 47 6.907 8.845 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.924 6.794 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.051 8.303 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.310 7.671 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.175 6.652 -5.494 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.651 7.904 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.634 9.339 -7.885 1.00 0.00 H new ATOM 754 N TYR A 48 6.866 7.495 -1.923 1.00 0.00 N ATOM 755 CA TYR A 48 6.785 6.677 -0.725 1.00 0.00 C ATOM 756 C TYR A 48 6.690 5.192 -1.080 1.00 0.00 C ATOM 757 O TYR A 48 5.718 4.758 -1.695 1.00 0.00 O ATOM 758 CB TYR A 48 5.500 7.102 -0.011 1.00 0.00 C ATOM 759 CG TYR A 48 4.234 6.924 -0.851 1.00 0.00 C ATOM 760 CD1 TYR A 48 3.538 5.733 -0.807 1.00 0.00 C ATOM 761 CD2 TYR A 48 3.787 7.954 -1.653 1.00 0.00 C ATOM 762 CE1 TYR A 48 2.346 5.565 -1.598 1.00 0.00 C ATOM 763 CE2 TYR A 48 2.595 7.787 -2.444 1.00 0.00 C ATOM 764 CZ TYR A 48 1.934 6.601 -2.377 1.00 0.00 C ATOM 765 OH TYR A 48 0.808 6.443 -3.124 1.00 0.00 O ATOM 0 H TYR A 48 5.983 7.915 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 48 7.672 6.813 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.399 6.524 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.587 8.149 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.887 4.927 -0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.331 8.886 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.792 4.638 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.235 8.585 -3.076 1.00 0.00 H new ATOM 0 HH TYR A 48 0.027 6.725 -2.603 1.00 0.00 H new ATOM 775 N ALA A 49 7.714 4.454 -0.676 1.00 0.00 N ATOM 776 CA ALA A 49 7.759 3.026 -0.944 1.00 0.00 C ATOM 777 C ALA A 49 6.901 2.291 0.088 1.00 0.00 C ATOM 778 O ALA A 49 6.623 2.823 1.161 1.00 0.00 O ATOM 779 CB ALA A 49 9.213 2.551 -0.938 1.00 0.00 C ATOM 0 H ALA A 49 8.519 4.818 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 49 7.349 2.807 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.247 1.480 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.773 3.082 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.657 2.751 0.037 1.00 0.00 H new ATOM 785 N MET A 50 6.505 1.080 -0.274 1.00 0.00 N ATOM 786 CA MET A 50 5.685 0.266 0.607 1.00 0.00 C ATOM 787 C MET A 50 6.551 -0.657 1.466 1.00 0.00 C ATOM 788 O MET A 50 7.768 -0.708 1.295 1.00 0.00 O ATOM 789 CB MET A 50 4.716 -0.574 -0.229 1.00 0.00 C ATOM 790 CG MET A 50 3.434 0.204 -0.529 1.00 0.00 C ATOM 791 SD MET A 50 3.112 0.196 -2.285 1.00 0.00 S ATOM 792 CE MET A 50 1.407 -0.332 -2.285 1.00 0.00 C ATOM 0 H MET A 50 6.737 0.642 -1.166 1.00 0.00 H new ATOM 0 HA MET A 50 5.128 0.929 1.269 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.195 -0.866 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.472 -1.492 0.305 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.595 -0.242 0.005 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.530 1.230 -0.173 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.103 -0.579 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.298 -1.211 -1.650 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.777 0.471 -1.903 1.00 0.00 H new ATOM 802 N GLY A 51 5.890 -1.363 2.371 1.00 0.00 N ATOM 803 CA GLY A 51 6.585 -2.281 3.257 1.00 0.00 C ATOM 804 C GLY A 51 5.610 -2.945 4.233 1.00 0.00 C ATOM 805 O GLY A 51 4.866 -2.260 4.934 1.00 0.00 O ATOM 0 H GLY A 51 4.881 -1.318 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.093 -3.045 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.353 -1.744 3.814 1.00 0.00 H new ATOM 809 N PHE A 52 5.647 -4.269 4.247 1.00 0.00 N ATOM 810 CA PHE A 52 4.776 -5.032 5.125 1.00 0.00 C ATOM 811 C PHE A 52 5.177 -4.848 6.590 1.00 0.00 C ATOM 812 O PHE A 52 6.315 -5.127 6.966 1.00 0.00 O ATOM 813 CB PHE A 52 4.938 -6.505 4.745 1.00 0.00 C ATOM 814 CG PHE A 52 6.145 -7.186 5.395 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.400 -6.916 4.947 1.00 0.00 C ATOM 816 CD2 PHE A 52 5.962 -8.062 6.419 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.520 -7.548 5.550 1.00 0.00 C ATOM 818 CE2 PHE A 52 7.082 -8.694 7.022 1.00 0.00 C ATOM 819 CZ PHE A 52 8.337 -8.423 6.574 1.00 0.00 C ATOM 0 H PHE A 52 6.266 -4.833 3.665 1.00 0.00 H new ATOM 0 HA PHE A 52 3.746 -4.694 5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.034 -7.044 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.030 -6.582 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.545 -6.221 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.965 -8.277 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.517 -7.333 5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.937 -9.389 7.836 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.189 -8.903 7.032 1.00 0.00 H new ATOM 829 N ASP A 53 4.220 -4.380 7.378 1.00 0.00 N ATOM 830 CA ASP A 53 4.460 -4.155 8.794 1.00 0.00 C ATOM 831 C ASP A 53 3.886 -5.326 9.595 1.00 0.00 C ATOM 832 O ASP A 53 3.248 -6.214 9.033 1.00 0.00 O ATOM 833 CB ASP A 53 3.774 -2.874 9.272 1.00 0.00 C ATOM 834 CG ASP A 53 4.538 -2.093 10.342 1.00 0.00 C ATOM 835 OD1 ASP A 53 5.749 -2.366 10.489 1.00 0.00 O ATOM 836 OD2 ASP A 53 3.894 -1.239 10.990 1.00 0.00 O ATOM 0 H ASP A 53 3.277 -4.150 7.063 1.00 0.00 H new ATOM 0 HA ASP A 53 5.536 -4.065 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.614 -2.223 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.790 -3.131 9.664 1.00 0.00 H new ATOM 841 N ASP A 54 4.134 -5.288 10.896 1.00 0.00 N ATOM 842 CA ASP A 54 3.650 -6.334 11.781 1.00 0.00 C ATOM 843 C ASP A 54 2.122 -6.294 11.823 1.00 0.00 C ATOM 844 O ASP A 54 1.467 -7.332 11.741 1.00 0.00 O ATOM 845 CB ASP A 54 4.168 -6.134 13.206 1.00 0.00 C ATOM 846 CG ASP A 54 5.079 -7.248 13.726 1.00 0.00 C ATOM 847 OD1 ASP A 54 4.963 -8.371 13.192 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.871 -6.950 14.646 1.00 0.00 O ATOM 0 H ASP A 54 4.664 -4.549 11.359 1.00 0.00 H new ATOM 0 HA ASP A 54 4.007 -7.290 11.399 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.712 -5.191 13.249 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.314 -6.041 13.877 1.00 0.00 H new ATOM 853 N THR A 55 1.597 -5.084 11.951 1.00 0.00 N ATOM 854 CA THR A 55 0.157 -4.895 12.005 1.00 0.00 C ATOM 855 C THR A 55 -0.196 -3.422 11.788 1.00 0.00 C ATOM 856 O THR A 55 0.690 -2.590 11.597 1.00 0.00 O ATOM 857 CB THR A 55 -0.343 -5.449 13.341 1.00 0.00 C ATOM 858 OG1 THR A 55 -1.747 -5.597 13.151 1.00 0.00 O ATOM 859 CG2 THR A 55 -0.225 -4.432 14.478 1.00 0.00 C ATOM 0 H THR A 55 2.143 -4.225 12.019 1.00 0.00 H new ATOM 0 HA THR A 55 -0.343 -5.438 11.204 1.00 0.00 H new ATOM 0 HB THR A 55 0.222 -6.345 13.597 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.152 -5.953 13.969 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.593 -4.876 15.403 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.819 -4.146 14.603 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.817 -3.549 14.239 1.00 0.00 H new ATOM 867 N VAL A 56 -1.491 -3.145 11.826 1.00 0.00 N ATOM 868 CA VAL A 56 -1.971 -1.787 11.636 1.00 0.00 C ATOM 869 C VAL A 56 -1.841 -1.016 12.951 1.00 0.00 C ATOM 870 O VAL A 56 -1.821 -1.613 14.026 1.00 0.00 O ATOM 871 CB VAL A 56 -3.403 -1.809 11.096 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.419 -1.861 12.238 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.663 -0.609 10.184 1.00 0.00 C ATOM 0 H VAL A 56 -2.222 -3.838 11.986 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.365 -1.268 10.893 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.523 -2.714 10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.428 -1.876 11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.255 -2.761 12.830 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.299 -0.983 12.872 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.687 -0.649 9.814 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.515 0.313 10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.972 -0.636 9.342 1.00 0.00 H new ATOM 883 N GLU A 57 -1.755 0.300 12.822 1.00 0.00 N ATOM 884 CA GLU A 57 -1.627 1.159 13.987 1.00 0.00 C ATOM 885 C GLU A 57 -2.990 1.358 14.653 1.00 0.00 C ATOM 886 O GLU A 57 -4.017 0.962 14.103 1.00 0.00 O ATOM 887 CB GLU A 57 -1.000 2.503 13.610 1.00 0.00 C ATOM 888 CG GLU A 57 0.144 2.314 12.612 1.00 0.00 C ATOM 889 CD GLU A 57 0.857 3.640 12.337 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.151 4.592 11.939 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.091 3.672 12.531 1.00 0.00 O ATOM 0 H GLU A 57 -1.771 0.792 11.929 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.963 0.672 14.702 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.760 3.154 13.178 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.627 2.999 14.506 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.857 1.588 13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.246 1.906 11.679 1.00 0.00 H new ATOM 898 N GLU A 58 -2.956 1.970 15.827 1.00 0.00 N ATOM 899 CA GLU A 58 -4.176 2.226 16.574 1.00 0.00 C ATOM 900 C GLU A 58 -4.820 3.533 16.107 1.00 0.00 C ATOM 901 O GLU A 58 -5.576 4.156 16.850 1.00 0.00 O ATOM 902 CB GLU A 58 -3.901 2.257 18.078 1.00 0.00 C ATOM 903 CG GLU A 58 -5.128 1.796 18.869 1.00 0.00 C ATOM 904 CD GLU A 58 -4.715 0.967 20.087 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.801 1.427 20.804 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.324 -0.108 20.274 1.00 0.00 O ATOM 0 H GLU A 58 -2.102 2.296 16.280 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.874 1.411 16.382 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.052 1.614 18.309 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.627 3.268 18.381 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.703 2.663 19.193 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.779 1.204 18.225 1.00 0.00 H new ATOM 913 N GLY A 59 -4.497 3.909 14.878 1.00 0.00 N ATOM 914 CA GLY A 59 -5.035 5.130 14.304 1.00 0.00 C ATOM 915 C GLY A 59 -4.427 5.402 12.926 1.00 0.00 C ATOM 916 O GLY A 59 -3.870 6.473 12.690 1.00 0.00 O ATOM 0 H GLY A 59 -3.870 3.389 14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.119 5.049 14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.830 5.970 14.968 1.00 0.00 H new ATOM 920 N ASP A 60 -4.554 4.413 12.053 1.00 0.00 N ATOM 921 CA ASP A 60 -4.024 4.533 10.705 1.00 0.00 C ATOM 922 C ASP A 60 -5.153 4.310 9.697 1.00 0.00 C ATOM 923 O ASP A 60 -5.957 3.392 9.852 1.00 0.00 O ATOM 924 CB ASP A 60 -2.943 3.483 10.444 1.00 0.00 C ATOM 925 CG ASP A 60 -1.694 4.004 9.730 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.821 5.050 9.056 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.641 3.346 9.874 1.00 0.00 O ATOM 0 H ASP A 60 -5.016 3.526 12.253 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.593 5.529 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.643 3.048 11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.375 2.679 9.848 1.00 0.00 H new ATOM 932 N HIS A 61 -5.177 5.165 8.685 1.00 0.00 N ATOM 933 CA HIS A 61 -6.194 5.073 7.651 1.00 0.00 C ATOM 934 C HIS A 61 -6.021 3.765 6.876 1.00 0.00 C ATOM 935 O HIS A 61 -5.198 3.683 5.965 1.00 0.00 O ATOM 936 CB HIS A 61 -6.162 6.307 6.747 1.00 0.00 C ATOM 937 CG HIS A 61 -7.321 7.252 6.958 1.00 0.00 C ATOM 938 ND1 HIS A 61 -8.460 7.441 6.232 1.00 0.00 N flip ATOM 939 CD2 HIS A 61 -7.381 8.138 8.019 1.00 0.00 C flip ATOM 940 CE1 HIS A 61 -9.179 8.390 6.820 1.00 0.00 C flip ATOM 941 NE2 HIS A 61 -8.511 8.824 7.927 1.00 0.00 N flip ATOM 0 H HIS A 61 -4.508 5.925 8.559 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.183 5.055 8.109 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.231 6.847 6.918 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.156 5.983 5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.634 8.251 8.791 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.135 8.758 6.478 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.826 9.549 8.571 1.00 0.00 H new ATOM 949 N VAL A 62 -6.810 2.775 7.266 1.00 0.00 N ATOM 950 CA VAL A 62 -6.754 1.475 6.619 1.00 0.00 C ATOM 951 C VAL A 62 -7.473 1.550 5.270 1.00 0.00 C ATOM 952 O VAL A 62 -8.682 1.773 5.219 1.00 0.00 O ATOM 953 CB VAL A 62 -7.332 0.404 7.546 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.714 -0.047 7.068 1.00 0.00 C ATOM 955 CG2 VAL A 62 -6.379 -0.787 7.670 1.00 0.00 C ATOM 0 H VAL A 62 -7.491 2.847 8.022 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.720 1.191 6.421 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.447 0.845 8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.102 -0.808 7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.391 0.807 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.634 -0.461 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.814 -1.533 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.217 -1.227 6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.426 -0.450 8.078 1.00 0.00 H new ATOM 965 N PHE A 63 -6.699 1.359 4.212 1.00 0.00 N ATOM 966 CA PHE A 63 -7.247 1.403 2.867 1.00 0.00 C ATOM 967 C PHE A 63 -7.114 0.044 2.177 1.00 0.00 C ATOM 968 O PHE A 63 -6.007 -0.466 2.010 1.00 0.00 O ATOM 969 CB PHE A 63 -6.437 2.439 2.087 1.00 0.00 C ATOM 970 CG PHE A 63 -7.147 2.976 0.842 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.390 3.517 0.949 1.00 0.00 C ATOM 972 CD2 PHE A 63 -6.534 2.913 -0.371 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.049 4.015 -0.206 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.193 3.411 -1.526 1.00 0.00 C ATOM 975 CZ PHE A 63 -8.437 3.951 -1.419 1.00 0.00 C ATOM 0 H PHE A 63 -5.697 1.173 4.259 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.306 1.660 2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.203 3.274 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.488 1.993 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.876 3.568 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.546 2.484 -0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.036 4.445 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.707 3.361 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.939 4.329 -2.297 1.00 0.00 H new ATOM 985 N GLU A 64 -8.258 -0.504 1.794 1.00 0.00 N ATOM 986 CA GLU A 64 -8.283 -1.794 1.125 1.00 0.00 C ATOM 987 C GLU A 64 -7.780 -1.657 -0.313 1.00 0.00 C ATOM 988 O GLU A 64 -8.281 -0.830 -1.073 1.00 0.00 O ATOM 989 CB GLU A 64 -9.687 -2.402 1.159 1.00 0.00 C ATOM 990 CG GLU A 64 -10.175 -2.573 2.599 1.00 0.00 C ATOM 991 CD GLU A 64 -11.603 -3.123 2.632 1.00 0.00 C ATOM 992 OE1 GLU A 64 -11.886 -4.016 1.805 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.379 -2.637 3.483 1.00 0.00 O ATOM 0 H GLU A 64 -9.174 -0.078 1.934 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.616 -2.471 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.378 -1.762 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.681 -3.369 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.509 -3.249 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.139 -1.614 3.115 1.00 0.00 H new ATOM 1000 N TYR A 65 -6.796 -2.480 -0.643 1.00 0.00 N ATOM 1001 CA TYR A 65 -6.219 -2.460 -1.977 1.00 0.00 C ATOM 1002 C TYR A 65 -6.765 -3.609 -2.827 1.00 0.00 C ATOM 1003 O TYR A 65 -7.731 -4.266 -2.442 1.00 0.00 O ATOM 1004 CB TYR A 65 -4.713 -2.653 -1.788 1.00 0.00 C ATOM 1005 CG TYR A 65 -3.940 -1.348 -1.582 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -4.368 -0.434 -0.642 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -2.815 -1.087 -2.337 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -3.640 0.794 -0.448 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -2.087 0.141 -2.144 1.00 0.00 C ATOM 1010 CZ TYR A 65 -2.536 1.021 -1.209 1.00 0.00 C ATOM 1011 OH TYR A 65 -1.849 2.180 -1.026 1.00 0.00 O ATOM 0 H TYR A 65 -6.383 -3.165 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.460 -1.527 -2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.545 -3.302 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.311 -3.168 -2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.249 -0.639 -0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.480 -1.803 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.964 1.518 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.205 0.358 -2.728 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.345 2.922 -1.432 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.124 -3.815 -3.968 1.00 0.00 N ATOM 1022 CA ASP A 66 -6.534 -4.872 -4.876 1.00 0.00 C ATOM 1023 C ASP A 66 -6.261 -6.231 -4.227 1.00 0.00 C ATOM 1024 O ASP A 66 -5.359 -6.954 -4.646 1.00 0.00 O ATOM 1025 CB ASP A 66 -5.746 -4.809 -6.187 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.500 -5.314 -7.419 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -6.567 -6.553 -7.574 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.991 -4.451 -8.177 1.00 0.00 O ATOM 0 H ASP A 66 -5.324 -3.268 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.596 -4.742 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.444 -3.777 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.833 -5.394 -6.073 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.058 -6.536 -3.213 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.914 -7.795 -2.501 1.00 0.00 C ATOM 1035 C GLY A 67 -5.751 -7.733 -1.508 1.00 0.00 C ATOM 1036 O GLY A 67 -5.070 -8.732 -1.282 1.00 0.00 O ATOM 0 H GLY A 67 -7.805 -5.933 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.838 -8.025 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.746 -8.603 -3.213 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.561 -6.550 -0.942 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.492 -6.345 0.021 1.00 0.00 C ATOM 1042 C VAL A 68 -4.876 -5.205 0.966 1.00 0.00 C ATOM 1043 O VAL A 68 -5.734 -4.386 0.641 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.170 -6.099 -0.708 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.021 -5.920 0.286 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.870 -7.228 -1.696 1.00 0.00 C ATOM 0 H VAL A 68 -6.129 -5.724 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.349 -7.238 0.630 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.268 -5.174 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.093 -5.747 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.228 -5.066 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.922 -6.819 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.925 -7.028 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.801 -8.174 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.670 -7.288 -2.434 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.221 -5.188 2.118 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.482 -4.162 3.113 1.00 0.00 C ATOM 1058 C LYS A 69 -3.385 -3.098 3.043 1.00 0.00 C ATOM 1059 O LYS A 69 -2.271 -3.379 2.603 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.644 -4.788 4.499 1.00 0.00 C ATOM 1061 CG LYS A 69 -6.090 -4.674 4.987 1.00 0.00 C ATOM 1062 CD LYS A 69 -6.142 -4.238 6.453 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.537 -4.458 7.041 1.00 0.00 C ATOM 1064 NZ LYS A 69 -7.505 -5.522 8.068 1.00 0.00 N ATOM 0 H LYS A 69 -3.510 -5.869 2.384 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.427 -3.660 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.350 -5.837 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.978 -4.293 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.630 -3.955 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.593 -5.634 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.408 -4.800 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.872 -3.185 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.903 -3.530 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.233 -4.731 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.460 -5.658 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.176 -6.410 7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.856 -5.247 8.833 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.737 -1.899 3.482 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.796 -0.793 3.475 1.00 0.00 C ATOM 1080 C VAL A 70 -3.178 0.204 4.572 1.00 0.00 C ATOM 1081 O VAL A 70 -4.307 0.194 5.058 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.744 -0.159 2.083 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.104 1.230 2.137 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.006 -1.065 1.095 1.00 0.00 C ATOM 0 H VAL A 70 -4.662 -1.669 3.845 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.789 -1.147 3.694 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.768 -0.042 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.079 1.658 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.689 1.875 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.087 1.148 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.983 -0.591 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.986 -1.228 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.522 -2.022 1.024 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.214 1.040 4.929 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.435 2.040 5.959 1.00 0.00 C ATOM 1096 C VAL A 71 -1.618 3.291 5.633 1.00 0.00 C ATOM 1097 O VAL A 71 -0.389 3.244 5.600 1.00 0.00 O ATOM 1098 CB VAL A 71 -2.109 1.455 7.335 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.494 -0.024 7.408 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.632 1.655 7.679 1.00 0.00 C ATOM 0 H VAL A 71 -1.278 1.045 4.523 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.484 2.335 5.986 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.701 1.992 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.252 -0.415 8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.564 -0.131 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.941 -0.582 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.427 1.230 8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.014 1.157 6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.402 2.720 7.689 1.00 0.00 H new ATOM 1110 N ILE A 72 -2.333 4.382 5.398 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.689 5.644 5.075 1.00 0.00 C ATOM 1112 C ILE A 72 -1.516 6.465 6.354 1.00 0.00 C ATOM 1113 O ILE A 72 -2.413 6.508 7.196 1.00 0.00 O ATOM 1114 CB ILE A 72 -2.463 6.374 3.976 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -3.029 5.385 2.955 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -1.596 7.447 3.315 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -4.047 6.067 2.037 1.00 0.00 C ATOM 0 H ILE A 72 -3.352 4.418 5.425 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.692 5.470 4.670 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.310 6.883 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.218 4.968 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.503 4.552 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.170 7.951 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.283 8.174 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.716 6.981 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.434 5.342 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.869 6.461 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.564 6.884 1.501 1.00 0.00 H new ATOM 1129 N ASP A 73 -0.357 7.098 6.461 1.00 0.00 N ATOM 1130 CA ASP A 73 -0.054 7.915 7.623 1.00 0.00 C ATOM 1131 C ASP A 73 -0.799 9.247 7.513 1.00 0.00 C ATOM 1132 O ASP A 73 -1.195 9.652 6.421 1.00 0.00 O ATOM 1133 CB ASP A 73 1.443 8.217 7.710 1.00 0.00 C ATOM 1134 CG ASP A 73 2.246 7.259 8.592 1.00 0.00 C ATOM 1135 OD1 ASP A 73 1.849 7.101 9.767 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.239 6.706 8.071 1.00 0.00 O ATOM 0 H ASP A 73 0.384 7.061 5.761 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.363 7.364 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.861 8.197 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.572 9.231 8.089 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.973 9.908 8.688 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.664 11.186 8.734 1.00 0.00 C ATOM 1143 C PRO A 74 -0.776 12.308 8.194 1.00 0.00 C ATOM 1144 O PRO A 74 -1.276 13.333 7.733 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.042 11.377 10.194 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.149 10.433 10.982 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.518 9.458 10.001 1.00 0.00 C ATOM 0 HA PRO A 74 -2.551 11.208 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.889 12.410 10.505 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.095 11.147 10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.379 10.992 11.514 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.729 9.897 11.733 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.570 9.474 10.070 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.835 8.434 10.201 1.00 0.00 H new ATOM 1155 N PHE A 75 0.527 12.077 8.269 1.00 0.00 N ATOM 1156 CA PHE A 75 1.489 13.057 7.793 1.00 0.00 C ATOM 1157 C PHE A 75 1.817 12.830 6.316 1.00 0.00 C ATOM 1158 O PHE A 75 2.138 13.775 5.596 1.00 0.00 O ATOM 1159 CB PHE A 75 2.762 12.871 8.621 1.00 0.00 C ATOM 1160 CG PHE A 75 2.829 13.754 9.868 1.00 0.00 C ATOM 1161 CD1 PHE A 75 3.181 15.063 9.756 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.536 13.231 11.089 1.00 0.00 C ATOM 1163 CE1 PHE A 75 3.243 15.883 10.914 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.597 14.051 12.246 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.949 15.360 12.134 1.00 0.00 C ATOM 0 H PHE A 75 0.939 11.226 8.652 1.00 0.00 H new ATOM 0 HA PHE A 75 1.080 14.062 7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.837 11.827 8.924 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.626 13.083 7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.413 15.479 8.787 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.257 12.192 11.178 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.524 16.922 10.825 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.364 13.636 13.215 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.995 15.984 13.014 1.00 0.00 H new ATOM 1175 N SER A 76 1.725 11.573 5.908 1.00 0.00 N ATOM 1176 CA SER A 76 2.008 11.211 4.530 1.00 0.00 C ATOM 1177 C SER A 76 0.738 11.332 3.686 1.00 0.00 C ATOM 1178 O SER A 76 0.809 11.422 2.461 1.00 0.00 O ATOM 1179 CB SER A 76 2.574 9.792 4.438 1.00 0.00 C ATOM 1180 OG SER A 76 2.994 9.470 3.115 1.00 0.00 O ATOM 0 H SER A 76 1.458 10.792 6.508 1.00 0.00 H new ATOM 0 HA SER A 76 2.760 11.899 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.418 9.693 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.817 9.078 4.762 1.00 0.00 H new ATOM 0 HG SER A 76 3.737 8.833 3.154 1.00 0.00 H new ATOM 1186 N MET A 77 -0.394 11.329 4.374 1.00 0.00 N ATOM 1187 CA MET A 77 -1.678 11.437 3.702 1.00 0.00 C ATOM 1188 C MET A 77 -1.752 12.713 2.861 1.00 0.00 C ATOM 1189 O MET A 77 -2.077 12.661 1.676 1.00 0.00 O ATOM 1190 CB MET A 77 -2.800 11.446 4.743 1.00 0.00 C ATOM 1191 CG MET A 77 -3.780 10.296 4.503 1.00 0.00 C ATOM 1192 SD MET A 77 -5.009 10.783 3.304 1.00 0.00 S ATOM 1193 CE MET A 77 -4.310 10.057 1.831 1.00 0.00 C ATOM 0 H MET A 77 -0.449 11.254 5.390 1.00 0.00 H new ATOM 0 HA MET A 77 -1.792 10.580 3.038 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.374 11.363 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.332 12.396 4.701 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.242 9.417 4.148 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.264 10.018 5.439 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.054 10.063 1.034 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.439 10.634 1.519 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.009 9.030 2.039 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.437 13.857 3.525 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.464 15.144 2.851 1.00 0.00 C ATOM 1205 C PRO A 78 -0.255 15.306 1.928 1.00 0.00 C ATOM 1206 O PRO A 78 -0.079 16.352 1.306 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.498 16.173 3.970 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.022 15.448 5.218 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.047 13.956 4.928 1.00 0.00 C ATOM 0 HA PRO A 78 -2.328 15.257 2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.852 17.021 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.505 16.567 4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.015 15.768 5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.666 15.683 6.065 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.071 13.503 5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.757 13.439 5.574 1.00 0.00 H new ATOM 1217 N TYR A 79 0.548 14.253 1.868 1.00 0.00 N ATOM 1218 CA TYR A 79 1.736 14.265 1.030 1.00 0.00 C ATOM 1219 C TYR A 79 1.471 13.570 -0.307 1.00 0.00 C ATOM 1220 O TYR A 79 2.088 13.904 -1.317 1.00 0.00 O ATOM 1221 CB TYR A 79 2.800 13.478 1.798 1.00 0.00 C ATOM 1222 CG TYR A 79 4.189 14.119 1.769 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.828 14.328 0.563 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.804 14.489 2.948 1.00 0.00 C ATOM 1225 CE1 TYR A 79 6.135 14.931 0.535 1.00 0.00 C ATOM 1226 CE2 TYR A 79 6.111 15.092 2.920 1.00 0.00 C ATOM 1227 CZ TYR A 79 6.712 15.283 1.715 1.00 0.00 C ATOM 1228 OH TYR A 79 7.947 15.853 1.689 1.00 0.00 O ATOM 0 H TYR A 79 0.399 13.387 2.386 1.00 0.00 H new ATOM 0 HA TYR A 79 2.045 15.288 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.481 13.372 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.866 12.473 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.347 14.039 -0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.305 14.326 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.645 15.100 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.603 15.386 3.835 1.00 0.00 H new ATOM 0 HH TYR A 79 8.234 16.053 2.604 1.00 0.00 H new ATOM 1238 N VAL A 80 0.552 12.616 -0.270 1.00 0.00 N ATOM 1239 CA VAL A 80 0.198 11.872 -1.466 1.00 0.00 C ATOM 1240 C VAL A 80 -1.324 11.741 -1.549 1.00 0.00 C ATOM 1241 O VAL A 80 -1.840 10.707 -1.969 1.00 0.00 O ATOM 1242 CB VAL A 80 0.915 10.520 -1.473 1.00 0.00 C ATOM 1243 CG1 VAL A 80 2.428 10.701 -1.333 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.369 9.604 -0.376 1.00 0.00 C ATOM 0 H VAL A 80 0.042 12.342 0.570 1.00 0.00 H new ATOM 0 HA VAL A 80 0.528 12.405 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 80 0.722 10.044 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.913 9.725 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.801 11.299 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.648 11.208 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.896 8.650 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.517 10.073 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.695 9.436 -0.539 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.000 12.805 -1.141 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.453 12.822 -1.163 1.00 0.00 C ATOM 1256 C ASN A 81 -3.934 13.025 -2.601 1.00 0.00 C ATOM 1257 O ASN A 81 -3.270 13.692 -3.394 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.003 13.970 -0.314 1.00 0.00 C ATOM 1259 CG ASN A 81 -5.530 13.911 -0.236 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -6.118 12.933 0.194 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -6.137 15.010 -0.675 1.00 0.00 N ATOM 0 H ASN A 81 -1.569 13.661 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.808 11.873 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.582 13.919 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.694 14.924 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.155 15.069 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.584 15.794 -1.022 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.085 12.438 -2.895 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.662 12.546 -4.224 1.00 0.00 C ATOM 1270 C GLY A 82 -4.607 12.296 -5.302 1.00 0.00 C ATOM 1271 O GLY A 82 -4.479 13.078 -6.243 1.00 0.00 O ATOM 0 H GLY A 82 -5.633 11.886 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.474 11.827 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.095 13.538 -4.357 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.877 11.204 -5.130 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.837 10.841 -6.077 1.00 0.00 C ATOM 1277 C ALA A 83 -2.593 9.332 -6.008 1.00 0.00 C ATOM 1278 O ALA A 83 -2.788 8.716 -4.962 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.572 11.650 -5.780 1.00 0.00 C ATOM 0 H ALA A 83 -3.985 10.558 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.145 11.078 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.791 11.378 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.791 12.714 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.232 11.435 -4.767 1.00 0.00 H new ATOM 1285 N GLU A 84 -2.171 8.781 -7.137 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.899 7.356 -7.217 1.00 0.00 C ATOM 1287 C GLU A 84 -0.392 7.100 -7.167 1.00 0.00 C ATOM 1288 O GLU A 84 0.405 8.020 -7.346 1.00 0.00 O ATOM 1289 CB GLU A 84 -2.516 6.751 -8.480 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.917 7.381 -9.739 1.00 0.00 C ATOM 1291 CD GLU A 84 -1.950 6.399 -10.912 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.075 6.024 -11.306 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -0.849 6.047 -11.388 1.00 0.00 O ATOM 0 H GLU A 84 -2.011 9.295 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.359 6.869 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.346 5.674 -8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.595 6.904 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.473 8.282 -9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.889 7.686 -9.544 1.00 0.00 H new ATOM 1300 N LEU A 85 -0.045 5.845 -6.921 1.00 0.00 N ATOM 1301 CA LEU A 85 1.352 5.455 -6.844 1.00 0.00 C ATOM 1302 C LEU A 85 1.634 4.372 -7.887 1.00 0.00 C ATOM 1303 O LEU A 85 1.226 3.223 -7.719 1.00 0.00 O ATOM 1304 CB LEU A 85 1.716 5.044 -5.416 1.00 0.00 C ATOM 1305 CG LEU A 85 2.753 3.926 -5.284 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.135 4.404 -5.731 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.773 3.363 -3.861 1.00 0.00 C ATOM 0 H LEU A 85 -0.708 5.085 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 85 1.997 6.301 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.089 5.923 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.805 4.730 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 85 2.464 3.112 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.853 3.590 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.092 4.718 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.447 5.245 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.518 2.570 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.024 4.158 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.791 2.959 -3.616 1.00 0.00 H new ATOM 1319 N ASP A 86 2.328 4.775 -8.941 1.00 0.00 N ATOM 1320 CA ASP A 86 2.669 3.853 -10.011 1.00 0.00 C ATOM 1321 C ASP A 86 4.107 3.367 -9.820 1.00 0.00 C ATOM 1322 O ASP A 86 5.015 4.169 -9.611 1.00 0.00 O ATOM 1323 CB ASP A 86 2.578 4.537 -11.376 1.00 0.00 C ATOM 1324 CG ASP A 86 3.748 5.461 -11.716 1.00 0.00 C ATOM 1325 OD1 ASP A 86 4.132 6.244 -10.820 1.00 0.00 O ATOM 1326 OD2 ASP A 86 4.233 5.365 -12.864 1.00 0.00 O ATOM 0 H ASP A 86 2.664 5.729 -9.077 1.00 0.00 H new ATOM 0 HA ASP A 86 1.966 3.021 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.506 3.769 -12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.655 5.115 -11.415 1.00 0.00 H new ATOM 1331 N TYR A 87 4.269 2.054 -9.900 1.00 0.00 N ATOM 1332 CA TYR A 87 5.581 1.451 -9.739 1.00 0.00 C ATOM 1333 C TYR A 87 6.341 1.429 -11.067 1.00 0.00 C ATOM 1334 O TYR A 87 5.804 0.996 -12.086 1.00 0.00 O ATOM 1335 CB TYR A 87 5.330 0.012 -9.284 1.00 0.00 C ATOM 1336 CG TYR A 87 6.451 -0.572 -8.421 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.777 0.022 -7.219 1.00 0.00 C ATOM 1338 CD2 TYR A 87 7.135 -1.693 -8.845 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.831 -0.527 -6.406 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.190 -2.243 -8.032 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.486 -1.632 -6.853 1.00 0.00 C ATOM 1342 OH TYR A 87 9.481 -2.151 -6.086 1.00 0.00 O ATOM 0 H TYR A 87 3.513 1.391 -10.074 1.00 0.00 H new ATOM 0 HA TYR A 87 6.179 2.017 -9.025 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.397 -0.023 -8.722 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.196 -0.618 -10.163 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.241 0.899 -6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.880 -2.158 -9.786 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.095 -0.072 -5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.733 -3.120 -8.351 1.00 0.00 H new ATOM 0 HH TYR A 87 9.859 -2.939 -6.529 1.00 0.00 H new ATOM 1352 N VAL A 88 7.578 1.900 -11.012 1.00 0.00 N ATOM 1353 CA VAL A 88 8.417 1.939 -12.197 1.00 0.00 C ATOM 1354 C VAL A 88 9.387 0.757 -12.170 1.00 0.00 C ATOM 1355 O VAL A 88 9.827 0.335 -11.102 1.00 0.00 O ATOM 1356 CB VAL A 88 9.125 3.292 -12.292 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.214 3.267 -13.367 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.124 4.419 -12.552 1.00 0.00 C ATOM 0 H VAL A 88 8.019 2.258 -10.165 1.00 0.00 H new ATOM 0 HA VAL A 88 7.811 1.840 -13.097 1.00 0.00 H new ATOM 0 HB VAL A 88 9.605 3.486 -11.333 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.701 4.241 -13.414 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.952 2.503 -13.120 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.766 3.039 -14.334 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.654 5.369 -12.615 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.601 4.232 -13.490 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.402 4.460 -11.736 1.00 0.00 H new ATOM 1447 N GLY A 95 11.120 0.230 -8.915 1.00 0.00 N ATOM 1448 CA GLY A 95 11.053 1.279 -7.912 1.00 0.00 C ATOM 1449 C GLY A 95 9.643 1.867 -7.828 1.00 0.00 C ATOM 1450 O GLY A 95 8.711 1.344 -8.436 1.00 0.00 O ATOM 0 HA2 GLY A 95 11.342 0.878 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.766 2.067 -8.156 1.00 0.00 H new ATOM 1454 N PHE A 96 9.531 2.948 -7.069 1.00 0.00 N ATOM 1455 CA PHE A 96 8.251 3.613 -6.898 1.00 0.00 C ATOM 1456 C PHE A 96 8.259 4.995 -7.554 1.00 0.00 C ATOM 1457 O PHE A 96 9.283 5.675 -7.565 1.00 0.00 O ATOM 1458 CB PHE A 96 8.031 3.778 -5.393 1.00 0.00 C ATOM 1459 CG PHE A 96 8.180 2.480 -4.596 1.00 0.00 C ATOM 1460 CD1 PHE A 96 9.417 1.971 -4.352 1.00 0.00 C ATOM 1461 CD2 PHE A 96 7.076 1.835 -4.133 1.00 0.00 C ATOM 1462 CE1 PHE A 96 9.556 0.766 -3.613 1.00 0.00 C ATOM 1463 CE2 PHE A 96 7.215 0.631 -3.394 1.00 0.00 C ATOM 1464 CZ PHE A 96 8.452 0.122 -3.149 1.00 0.00 C ATOM 0 H PHE A 96 10.306 3.379 -6.566 1.00 0.00 H new ATOM 0 HA PHE A 96 7.461 3.024 -7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.742 4.511 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.033 4.183 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.294 2.483 -4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.093 2.239 -4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.538 0.361 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.338 0.119 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.558 -0.794 -2.586 1.00 0.00 H new ATOM 1474 N THR A 97 7.104 5.369 -8.085 1.00 0.00 N ATOM 1475 CA THR A 97 6.965 6.658 -8.742 1.00 0.00 C ATOM 1476 C THR A 97 5.563 7.226 -8.510 1.00 0.00 C ATOM 1477 O THR A 97 4.585 6.480 -8.477 1.00 0.00 O ATOM 1478 CB THR A 97 7.309 6.474 -10.221 1.00 0.00 C ATOM 1479 OG1 THR A 97 8.733 6.415 -10.242 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.976 7.711 -11.058 1.00 0.00 C ATOM 0 H THR A 97 6.256 4.802 -8.074 1.00 0.00 H new ATOM 0 HA THR A 97 7.653 7.392 -8.323 1.00 0.00 H new ATOM 0 HB THR A 97 6.769 5.613 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.069 6.909 -11.019 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.240 7.527 -12.100 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.909 7.923 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.542 8.565 -10.686 1.00 0.00 H new ATOM 1488 N ILE A 98 5.510 8.540 -8.356 1.00 0.00 N ATOM 1489 CA ILE A 98 4.245 9.217 -8.128 1.00 0.00 C ATOM 1490 C ILE A 98 3.759 9.837 -9.440 1.00 0.00 C ATOM 1491 O ILE A 98 4.547 10.419 -10.185 1.00 0.00 O ATOM 1492 CB ILE A 98 4.373 10.223 -6.983 1.00 0.00 C ATOM 1493 CG1 ILE A 98 4.798 9.529 -5.688 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.081 11.023 -6.808 1.00 0.00 C ATOM 1495 CD1 ILE A 98 3.771 8.475 -5.269 1.00 0.00 C ATOM 0 H ILE A 98 6.323 9.155 -8.385 1.00 0.00 H new ATOM 0 HA ILE A 98 3.484 8.504 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 98 5.159 10.934 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.772 9.059 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.910 10.268 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.200 11.731 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.862 11.566 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.259 10.343 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.097 7.996 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.804 8.952 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.679 7.724 -6.054 1.00 0.00 H new ATOM 1507 N ARG A 99 2.465 9.690 -9.684 1.00 0.00 N ATOM 1508 CA ARG A 99 1.866 10.228 -10.894 1.00 0.00 C ATOM 1509 C ARG A 99 0.761 11.226 -10.540 1.00 0.00 C ATOM 1510 O ARG A 99 -0.338 10.830 -10.154 1.00 0.00 O ATOM 1511 CB ARG A 99 1.278 9.113 -11.760 1.00 0.00 C ATOM 1512 CG ARG A 99 1.070 9.589 -13.199 1.00 0.00 C ATOM 1513 CD ARG A 99 -0.295 9.148 -13.731 1.00 0.00 C ATOM 1514 NE ARG A 99 -0.152 7.909 -14.527 1.00 0.00 N ATOM 1515 CZ ARG A 99 -1.071 7.463 -15.395 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -2.205 8.152 -15.583 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -0.856 6.328 -16.074 1.00 0.00 N ATOM 0 H ARG A 99 1.815 9.206 -9.065 1.00 0.00 H new ATOM 0 HA ARG A 99 2.651 10.734 -11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.945 8.251 -11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.327 8.785 -11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.147 10.675 -13.241 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.859 9.189 -13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.981 8.979 -12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.727 9.937 -14.346 1.00 0.00 H new ATOM 0 HE ARG A 99 0.699 7.360 -14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.369 9.016 -15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.904 7.813 -16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.007 5.803 -15.930 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.555 5.989 -16.734 1.00 0.00 H new ATOM 1531 N ASN A 100 1.092 12.501 -10.683 1.00 0.00 N ATOM 1532 CA ASN A 100 0.141 13.559 -10.383 1.00 0.00 C ATOM 1533 C ASN A 100 -0.852 13.688 -11.540 1.00 0.00 C ATOM 1534 O ASN A 100 -0.453 13.780 -12.699 1.00 0.00 O ATOM 1535 CB ASN A 100 0.850 14.905 -10.216 1.00 0.00 C ATOM 1536 CG ASN A 100 0.210 15.725 -9.094 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -0.788 16.402 -9.276 1.00 0.00 O ATOM 1538 ND2 ASN A 100 0.839 15.627 -7.926 1.00 0.00 N ATOM 0 H ASN A 100 2.005 12.826 -11.002 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.369 13.302 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.904 14.740 -9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.804 15.463 -11.151 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.490 16.137 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.670 15.042 -7.842 1.00 0.00 H new ATOM 1545 N PRO A 101 -2.162 13.691 -11.174 1.00 0.00 N ATOM 1546 CA PRO A 101 -3.216 13.808 -12.167 1.00 0.00 C ATOM 1547 C PRO A 101 -3.323 15.243 -12.688 1.00 0.00 C ATOM 1548 O PRO A 101 -4.319 15.922 -12.447 1.00 0.00 O ATOM 1549 CB PRO A 101 -4.477 13.338 -11.460 1.00 0.00 C ATOM 1550 CG PRO A 101 -4.175 13.417 -9.973 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.673 13.584 -9.810 1.00 0.00 C ATOM 0 HA PRO A 101 -3.025 13.206 -13.055 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.328 13.968 -11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.733 12.320 -11.753 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.704 14.256 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.516 12.514 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.434 14.473 -9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.234 12.733 -9.288 1.00 0.00 H new