USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 670 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 25 GLN : amide:sc= -1.82 K(o=-6.9,f=-9.8!) USER MOD Set 1.2: A 37 MET CE :methyl 157:sc= -5.1! (180deg=-4.77!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.451 USER MOD Single : A 23 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.26!) USER MOD Single : A 24 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.1) USER MOD Single : A 28 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.029) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -4.62! C(o=-4.6!,f=-10!) USER MOD Single : A 48 TYR OH : rot 15:sc= -1.31 USER MOD Single : A 50 ASN : amide:sc= 1.01 K(o=1,f=-0.0028) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 135:sc= -2.58! USER MOD Single : A 54 GLN : amide:sc= 0.492 X(o=0.49,f=0) USER MOD Single : A 55 GLN : amide:sc= -14.2! C(o=-14!,f=-22!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= -0.271 (180deg=-1.3!) USER MOD Single : A 68 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.023) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -156:sc= -1.63 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -73:sc= 0.85 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.341 20.361 -6.671 1.00 0.00 N ATOM 64 CA ALA A 6 -4.165 20.212 -5.819 1.00 0.00 C ATOM 65 C ALA A 6 -4.342 19.069 -4.824 1.00 0.00 C ATOM 66 O ALA A 6 -3.443 18.247 -4.642 1.00 0.00 O ATOM 67 CB ALA A 6 -3.873 21.515 -5.088 1.00 0.00 C ATOM 0 HA ALA A 6 -3.316 19.969 -6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.994 21.389 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.688 22.306 -5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.729 21.784 -4.469 1.00 0.00 H new ATOM 73 N ASN A 7 -5.507 19.014 -4.188 1.00 0.00 N ATOM 74 CA ASN A 7 -5.794 17.961 -3.220 1.00 0.00 C ATOM 75 C ASN A 7 -5.814 16.602 -3.908 1.00 0.00 C ATOM 76 O ASN A 7 -5.116 15.671 -3.498 1.00 0.00 O ATOM 77 CB ASN A 7 -7.136 18.219 -2.532 1.00 0.00 C ATOM 78 CG ASN A 7 -7.235 17.534 -1.183 1.00 0.00 C ATOM 79 OD1 ASN A 7 -7.792 16.441 -1.069 1.00 0.00 O ATOM 80 ND2 ASN A 7 -6.697 18.173 -0.152 1.00 0.00 N ATOM 0 H ASN A 7 -6.265 19.683 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.008 17.963 -2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.274 19.292 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.944 17.869 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.735 17.760 0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.245 19.077 -0.292 1.00 0.00 H new ATOM 87 N LYS A 8 -6.615 16.498 -4.964 1.00 0.00 N ATOM 88 CA LYS A 8 -6.724 15.258 -5.719 1.00 0.00 C ATOM 89 C LYS A 8 -5.365 14.841 -6.267 1.00 0.00 C ATOM 90 O LYS A 8 -5.082 13.651 -6.412 1.00 0.00 O ATOM 91 CB LYS A 8 -7.725 15.420 -6.865 1.00 0.00 C ATOM 92 CG LYS A 8 -9.130 14.955 -6.516 1.00 0.00 C ATOM 93 CD LYS A 8 -9.968 16.090 -5.952 1.00 0.00 C ATOM 94 CE LYS A 8 -11.317 15.594 -5.452 1.00 0.00 C ATOM 95 NZ LYS A 8 -12.446 16.333 -6.079 1.00 0.00 N ATOM 0 H LYS A 8 -7.197 17.258 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.081 14.478 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.761 16.469 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.370 14.859 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.613 14.552 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.076 14.145 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.430 16.569 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.120 16.848 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.415 14.530 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.366 15.706 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.347 15.966 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.367 17.345 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.414 16.205 -7.111 1.00 0.00 H new ATOM 109 N ASP A 9 -4.520 15.826 -6.565 1.00 0.00 N ATOM 110 CA ASP A 9 -3.191 15.550 -7.088 1.00 0.00 C ATOM 111 C ASP A 9 -2.330 14.901 -6.018 1.00 0.00 C ATOM 112 O ASP A 9 -1.594 13.954 -6.290 1.00 0.00 O ATOM 113 CB ASP A 9 -2.530 16.834 -7.593 1.00 0.00 C ATOM 114 CG ASP A 9 -1.549 16.576 -8.718 1.00 0.00 C ATOM 115 OD1 ASP A 9 -2.001 16.371 -9.865 1.00 0.00 O ATOM 116 OD2 ASP A 9 -0.328 16.577 -8.455 1.00 0.00 O ATOM 0 H ASP A 9 -4.734 16.817 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.288 14.862 -7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.300 17.524 -7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.011 17.321 -6.767 1.00 0.00 H new ATOM 121 N LEU A 10 -2.434 15.407 -4.793 1.00 0.00 N ATOM 122 CA LEU A 10 -1.670 14.860 -3.683 1.00 0.00 C ATOM 123 C LEU A 10 -2.043 13.399 -3.471 1.00 0.00 C ATOM 124 O LEU A 10 -1.173 12.526 -3.371 1.00 0.00 O ATOM 125 CB LEU A 10 -1.938 15.663 -2.408 1.00 0.00 C ATOM 126 CG LEU A 10 -1.047 15.305 -1.215 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.140 16.474 -0.851 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.896 14.894 -0.019 1.00 0.00 C ATOM 0 H LEU A 10 -3.038 16.191 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.608 14.926 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.811 16.722 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.979 15.520 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.419 14.460 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.485 16.199 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.494 16.721 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.749 17.339 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.246 14.643 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.550 15.719 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.500 14.026 -0.283 1.00 0.00 H new ATOM 140 N ILE A 11 -3.347 13.124 -3.436 1.00 0.00 N ATOM 141 CA ILE A 11 -3.812 11.757 -3.268 1.00 0.00 C ATOM 142 C ILE A 11 -3.323 10.908 -4.432 1.00 0.00 C ATOM 143 O ILE A 11 -2.677 9.879 -4.234 1.00 0.00 O ATOM 144 CB ILE A 11 -5.350 11.686 -3.191 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.876 12.652 -2.128 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.801 10.264 -2.892 1.00 0.00 C ATOM 147 CD1 ILE A 11 -7.195 13.295 -2.494 1.00 0.00 C ATOM 0 H ILE A 11 -4.086 13.821 -3.521 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.409 11.377 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.760 11.981 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.992 12.115 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.135 13.433 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.889 10.231 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.454 9.599 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.383 9.943 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.507 13.967 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.080 13.860 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.951 12.522 -2.633 1.00 0.00 H new ATOM 159 N SER A 12 -3.622 11.353 -5.654 1.00 0.00 N ATOM 160 CA SER A 12 -3.201 10.643 -6.854 1.00 0.00 C ATOM 161 C SER A 12 -1.696 10.413 -6.846 1.00 0.00 C ATOM 162 O SER A 12 -1.210 9.427 -7.380 1.00 0.00 O ATOM 163 CB SER A 12 -3.604 11.426 -8.104 1.00 0.00 C ATOM 164 OG SER A 12 -4.016 10.555 -9.142 1.00 0.00 O ATOM 0 H SER A 12 -4.155 12.204 -5.834 1.00 0.00 H new ATOM 0 HA SER A 12 -3.699 9.674 -6.867 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.413 12.114 -7.860 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.763 12.030 -8.445 1.00 0.00 H new ATOM 0 HG SER A 12 -4.270 11.081 -9.929 1.00 0.00 H new ATOM 170 N ALA A 13 -0.962 11.345 -6.257 1.00 0.00 N ATOM 171 CA ALA A 13 0.490 11.236 -6.203 1.00 0.00 C ATOM 172 C ALA A 13 0.926 10.088 -5.300 1.00 0.00 C ATOM 173 O ALA A 13 1.831 9.330 -5.647 1.00 0.00 O ATOM 174 CB ALA A 13 1.116 12.549 -5.757 1.00 0.00 C ATOM 0 H ALA A 13 -1.343 12.180 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 13 0.845 11.017 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.200 12.443 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.850 13.337 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.747 12.810 -4.765 1.00 0.00 H new ATOM 180 N GLY A 14 0.247 9.925 -4.173 1.00 0.00 N ATOM 181 CA GLY A 14 0.569 8.813 -3.291 1.00 0.00 C ATOM 182 C GLY A 14 0.177 7.509 -3.956 1.00 0.00 C ATOM 183 O GLY A 14 0.893 6.508 -3.906 1.00 0.00 O ATOM 0 H GLY A 14 -0.510 10.530 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.635 8.812 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.042 8.923 -2.343 1.00 0.00 H new ATOM 187 N LEU A 15 -0.987 7.562 -4.578 1.00 0.00 N ATOM 188 CA LEU A 15 -1.543 6.419 -5.283 1.00 0.00 C ATOM 189 C LEU A 15 -0.637 5.993 -6.436 1.00 0.00 C ATOM 190 O LEU A 15 -0.170 4.859 -6.476 1.00 0.00 O ATOM 191 CB LEU A 15 -2.954 6.727 -5.791 1.00 0.00 C ATOM 192 CG LEU A 15 -4.087 6.206 -4.902 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.142 6.985 -3.597 1.00 0.00 C ATOM 194 CD2 LEU A 15 -5.419 6.290 -5.632 1.00 0.00 C ATOM 0 H LEU A 15 -1.573 8.396 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.606 5.590 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.060 7.807 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.067 6.299 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.889 5.160 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.953 6.601 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.196 6.873 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.316 8.040 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.213 5.916 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.625 7.327 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.375 5.687 -6.539 1.00 0.00 H new ATOM 206 N LYS A 16 -0.412 6.895 -7.379 1.00 0.00 N ATOM 207 CA LYS A 16 0.419 6.599 -8.544 1.00 0.00 C ATOM 208 C LYS A 16 1.852 6.262 -8.145 1.00 0.00 C ATOM 209 O LYS A 16 2.531 5.494 -8.831 1.00 0.00 O ATOM 210 CB LYS A 16 0.411 7.785 -9.510 1.00 0.00 C ATOM 211 CG LYS A 16 0.385 7.374 -10.973 1.00 0.00 C ATOM 212 CD LYS A 16 1.785 7.310 -11.561 1.00 0.00 C ATOM 213 CE LYS A 16 2.153 8.605 -12.267 1.00 0.00 C ATOM 214 NZ LYS A 16 3.606 8.904 -12.154 1.00 0.00 N ATOM 0 H LYS A 16 -0.793 7.841 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.004 5.724 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.458 8.409 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.294 8.398 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.096 6.400 -11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.216 8.084 -11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.505 7.110 -10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.847 6.480 -12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.877 8.536 -13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.579 9.427 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.817 9.795 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.865 8.995 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.154 8.132 -12.584 1.00 0.00 H new ATOM 228 N GLU A 17 2.308 6.827 -7.034 1.00 0.00 N ATOM 229 CA GLU A 17 3.662 6.560 -6.568 1.00 0.00 C ATOM 230 C GLU A 17 3.749 5.185 -5.917 1.00 0.00 C ATOM 231 O GLU A 17 4.699 4.439 -6.163 1.00 0.00 O ATOM 232 CB GLU A 17 4.164 7.661 -5.627 1.00 0.00 C ATOM 233 CG GLU A 17 3.667 7.550 -4.198 1.00 0.00 C ATOM 234 CD GLU A 17 4.370 8.522 -3.268 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.610 8.431 -3.143 1.00 0.00 O ATOM 236 OE2 GLU A 17 3.684 9.374 -2.668 1.00 0.00 O ATOM 0 H GLU A 17 1.769 7.464 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 17 4.319 6.561 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.254 7.645 -5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.862 8.628 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.594 7.738 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.821 6.532 -3.840 1.00 0.00 H new ATOM 243 N PHE A 18 2.750 4.828 -5.114 1.00 0.00 N ATOM 244 CA PHE A 18 2.744 3.512 -4.484 1.00 0.00 C ATOM 245 C PHE A 18 2.409 2.440 -5.514 1.00 0.00 C ATOM 246 O PHE A 18 2.918 1.321 -5.453 1.00 0.00 O ATOM 247 CB PHE A 18 1.758 3.442 -3.318 1.00 0.00 C ATOM 248 CG PHE A 18 1.767 2.106 -2.618 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.953 1.400 -2.455 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.593 1.555 -2.135 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.963 0.170 -1.820 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.598 0.327 -1.499 1.00 0.00 C ATOM 253 CZ PHE A 18 1.783 -0.366 -1.341 1.00 0.00 C ATOM 0 H PHE A 18 1.950 5.418 -4.888 1.00 0.00 H new ATOM 0 HA PHE A 18 3.742 3.335 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.999 4.225 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.753 3.646 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.877 1.816 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.337 2.090 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.891 -0.369 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.325 -0.091 -1.125 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.787 -1.325 -0.844 1.00 0.00 H new ATOM 263 N SER A 19 1.543 2.796 -6.459 1.00 0.00 N ATOM 264 CA SER A 19 1.131 1.874 -7.509 1.00 0.00 C ATOM 265 C SER A 19 2.328 1.466 -8.354 1.00 0.00 C ATOM 266 O SER A 19 2.568 0.281 -8.567 1.00 0.00 O ATOM 267 CB SER A 19 0.055 2.511 -8.393 1.00 0.00 C ATOM 268 OG SER A 19 0.635 3.330 -9.393 1.00 0.00 O ATOM 0 H SER A 19 1.113 3.719 -6.518 1.00 0.00 H new ATOM 0 HA SER A 19 0.712 0.984 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.545 1.730 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.620 3.106 -7.778 1.00 0.00 H new ATOM 0 HG SER A 19 -0.073 3.724 -9.945 1.00 0.00 H new ATOM 274 N VAL A 20 3.085 2.453 -8.823 1.00 0.00 N ATOM 275 CA VAL A 20 4.264 2.176 -9.629 1.00 0.00 C ATOM 276 C VAL A 20 5.306 1.436 -8.797 1.00 0.00 C ATOM 277 O VAL A 20 5.902 0.462 -9.251 1.00 0.00 O ATOM 278 CB VAL A 20 4.886 3.469 -10.189 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.052 3.150 -11.112 1.00 0.00 C ATOM 280 CG2 VAL A 20 3.833 4.293 -10.915 1.00 0.00 C ATOM 0 H VAL A 20 2.904 3.443 -8.659 1.00 0.00 H new ATOM 0 HA VAL A 20 3.949 1.555 -10.468 1.00 0.00 H new ATOM 0 HB VAL A 20 5.268 4.057 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.476 4.078 -11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.816 2.604 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.701 2.540 -11.944 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.288 5.203 -11.305 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.421 3.712 -11.740 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.034 4.555 -10.221 1.00 0.00 H new ATOM 290 N LEU A 21 5.508 1.907 -7.570 1.00 0.00 N ATOM 291 CA LEU A 21 6.468 1.299 -6.656 1.00 0.00 C ATOM 292 C LEU A 21 6.117 -0.165 -6.388 1.00 0.00 C ATOM 293 O LEU A 21 6.992 -1.030 -6.380 1.00 0.00 O ATOM 294 CB LEU A 21 6.498 2.087 -5.342 1.00 0.00 C ATOM 295 CG LEU A 21 7.305 1.453 -4.205 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.747 1.932 -4.243 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.669 1.778 -2.862 1.00 0.00 C ATOM 0 H LEU A 21 5.016 2.713 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 21 7.455 1.329 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.905 3.078 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.472 2.227 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 21 7.301 0.371 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.305 1.471 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.198 1.653 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.773 3.016 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.253 1.321 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.646 2.859 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.652 1.387 -2.837 1.00 0.00 H new ATOM 309 N LEU A 22 4.833 -0.431 -6.177 1.00 0.00 N ATOM 310 CA LEU A 22 4.358 -1.786 -5.917 1.00 0.00 C ATOM 311 C LEU A 22 4.322 -2.597 -7.213 1.00 0.00 C ATOM 312 O LEU A 22 4.524 -3.810 -7.208 1.00 0.00 O ATOM 313 CB LEU A 22 2.963 -1.727 -5.269 1.00 0.00 C ATOM 314 CG LEU A 22 2.227 -3.061 -5.081 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.330 -3.354 -6.271 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.198 -4.205 -4.843 1.00 0.00 C ATOM 0 H LEU A 22 4.099 0.277 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 22 5.044 -2.282 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.063 -1.254 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.334 -1.075 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 22 1.601 -2.970 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.819 -4.304 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.593 -2.558 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.934 -3.411 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.642 -5.134 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.867 -4.298 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.783 -4.005 -3.945 1.00 0.00 H new ATOM 328 N ASN A 23 4.066 -1.914 -8.325 1.00 0.00 N ATOM 329 CA ASN A 23 4.001 -2.567 -9.629 1.00 0.00 C ATOM 330 C ASN A 23 5.392 -2.831 -10.202 1.00 0.00 C ATOM 331 O ASN A 23 5.565 -3.715 -11.040 1.00 0.00 O ATOM 332 CB ASN A 23 3.191 -1.714 -10.608 1.00 0.00 C ATOM 333 CG ASN A 23 2.709 -2.509 -11.806 1.00 0.00 C ATOM 334 OD1 ASN A 23 3.487 -3.199 -12.463 1.00 0.00 O ATOM 335 ND2 ASN A 23 1.416 -2.412 -12.096 1.00 0.00 N ATOM 0 H ASN A 23 3.900 -0.908 -8.349 1.00 0.00 H new ATOM 0 HA ASN A 23 3.508 -3.529 -9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.332 -1.287 -10.089 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.803 -0.880 -10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.032 -2.922 -12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.807 -1.827 -11.523 1.00 0.00 H new ATOM 342 N GLN A 24 6.383 -2.064 -9.751 1.00 0.00 N ATOM 343 CA GLN A 24 7.751 -2.233 -10.236 1.00 0.00 C ATOM 344 C GLN A 24 8.520 -3.246 -9.391 1.00 0.00 C ATOM 345 O GLN A 24 9.751 -3.276 -9.415 1.00 0.00 O ATOM 346 CB GLN A 24 8.491 -0.891 -10.241 1.00 0.00 C ATOM 347 CG GLN A 24 9.109 -0.544 -11.586 1.00 0.00 C ATOM 348 CD GLN A 24 8.073 -0.131 -12.614 1.00 0.00 C ATOM 349 OE1 GLN A 24 7.610 1.009 -12.622 1.00 0.00 O ATOM 350 NE2 GLN A 24 7.702 -1.061 -13.487 1.00 0.00 N ATOM 0 H GLN A 24 6.266 -1.326 -9.057 1.00 0.00 H new ATOM 0 HA GLN A 24 7.693 -2.612 -11.256 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.797 -0.101 -9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.276 -0.915 -9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.827 0.265 -11.454 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.664 -1.405 -11.960 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.112 -1.994 -13.444 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.007 -0.842 -14.201 1.00 0.00 H new ATOM 359 N GLN A 25 7.795 -4.076 -8.648 1.00 0.00 N ATOM 360 CA GLN A 25 8.421 -5.085 -7.806 1.00 0.00 C ATOM 361 C GLN A 25 8.567 -6.403 -8.559 1.00 0.00 C ATOM 362 O GLN A 25 7.592 -7.129 -8.753 1.00 0.00 O ATOM 363 CB GLN A 25 7.597 -5.297 -6.535 1.00 0.00 C ATOM 364 CG GLN A 25 7.600 -4.099 -5.602 1.00 0.00 C ATOM 365 CD GLN A 25 8.943 -3.882 -4.934 1.00 0.00 C ATOM 366 OE1 GLN A 25 9.971 -3.767 -5.603 1.00 0.00 O ATOM 367 NE2 GLN A 25 8.943 -3.826 -3.608 1.00 0.00 N ATOM 0 H GLN A 25 6.776 -4.069 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 25 9.415 -4.732 -7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.569 -5.528 -6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.985 -6.164 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.330 -3.205 -6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.836 -4.238 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.068 -3.926 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.818 -3.683 -3.104 1.00 0.00 H new ATOM 376 N VAL A 26 9.791 -6.708 -8.976 1.00 0.00 N ATOM 377 CA VAL A 26 10.066 -7.941 -9.704 1.00 0.00 C ATOM 378 C VAL A 26 10.973 -8.854 -8.890 1.00 0.00 C ATOM 379 O VAL A 26 12.147 -8.550 -8.674 1.00 0.00 O ATOM 380 CB VAL A 26 10.719 -7.655 -11.072 1.00 0.00 C ATOM 381 CG1 VAL A 26 12.053 -6.948 -10.896 1.00 0.00 C ATOM 382 CG2 VAL A 26 10.890 -8.942 -11.865 1.00 0.00 C ATOM 0 H VAL A 26 10.609 -6.118 -8.822 1.00 0.00 H new ATOM 0 HA VAL A 26 9.111 -8.438 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 26 10.058 -6.995 -11.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.495 -6.757 -11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.898 -6.002 -10.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.724 -7.577 -10.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.352 -8.718 -12.826 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.526 -9.631 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.915 -9.401 -12.029 1.00 0.00 H new ATOM 392 N PHE A 27 10.422 -9.973 -8.433 1.00 0.00 N ATOM 393 CA PHE A 27 11.182 -10.926 -7.633 1.00 0.00 C ATOM 394 C PHE A 27 11.710 -12.067 -8.491 1.00 0.00 C ATOM 395 O PHE A 27 10.953 -12.953 -8.886 1.00 0.00 O ATOM 396 CB PHE A 27 10.315 -11.505 -6.510 1.00 0.00 C ATOM 397 CG PHE A 27 9.208 -10.597 -6.072 1.00 0.00 C ATOM 398 CD1 PHE A 27 9.490 -9.331 -5.594 1.00 0.00 C ATOM 399 CD2 PHE A 27 7.888 -11.008 -6.141 1.00 0.00 C ATOM 400 CE1 PHE A 27 8.477 -8.488 -5.192 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.867 -10.169 -5.739 1.00 0.00 C ATOM 402 CZ PHE A 27 7.162 -8.908 -5.264 1.00 0.00 C ATOM 0 H PHE A 27 9.453 -10.242 -8.603 1.00 0.00 H new ATOM 0 HA PHE A 27 12.025 -10.386 -7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.887 -12.450 -6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.950 -11.729 -5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.516 -8.999 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.654 -11.995 -6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.710 -7.501 -4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.840 -10.499 -5.796 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.366 -8.249 -4.949 1.00 0.00 H new ATOM 412 N ASN A 28 13.013 -12.062 -8.761 1.00 0.00 N ATOM 413 CA ASN A 28 13.616 -13.126 -9.552 1.00 0.00 C ATOM 414 C ASN A 28 13.305 -14.473 -8.905 1.00 0.00 C ATOM 415 O ASN A 28 12.348 -15.145 -9.288 1.00 0.00 O ATOM 416 CB ASN A 28 15.129 -12.919 -9.671 1.00 0.00 C ATOM 417 CG ASN A 28 15.544 -12.488 -11.064 1.00 0.00 C ATOM 418 OD1 ASN A 28 16.552 -12.953 -11.596 1.00 0.00 O ATOM 419 ND2 ASN A 28 14.766 -11.595 -11.665 1.00 0.00 N ATOM 0 H ASN A 28 13.663 -11.341 -8.447 1.00 0.00 H new ATOM 0 HA ASN A 28 13.197 -13.107 -10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.448 -12.166 -8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.642 -13.846 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.995 -11.269 -12.604 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.939 -11.235 -11.188 1.00 0.00 H new ATOM 426 N ASP A 29 14.101 -14.850 -7.910 1.00 0.00 N ATOM 427 CA ASP A 29 13.903 -16.099 -7.185 1.00 0.00 C ATOM 428 C ASP A 29 13.517 -15.777 -5.739 1.00 0.00 C ATOM 429 O ASP A 29 13.528 -14.611 -5.347 1.00 0.00 O ATOM 430 CB ASP A 29 15.178 -16.956 -7.220 1.00 0.00 C ATOM 431 CG ASP A 29 16.394 -16.200 -7.723 1.00 0.00 C ATOM 432 OD1 ASP A 29 16.447 -15.900 -8.935 1.00 0.00 O ATOM 433 OD2 ASP A 29 17.292 -15.907 -6.906 1.00 0.00 O ATOM 0 H ASP A 29 14.897 -14.302 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 29 13.105 -16.669 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.382 -17.333 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.008 -17.823 -7.858 1.00 0.00 H new ATOM 438 N PRO A 30 13.157 -16.790 -4.925 1.00 0.00 N ATOM 439 CA PRO A 30 12.761 -16.599 -3.518 1.00 0.00 C ATOM 440 C PRO A 30 13.614 -15.565 -2.758 1.00 0.00 C ATOM 441 O PRO A 30 13.254 -15.162 -1.653 1.00 0.00 O ATOM 442 CB PRO A 30 12.940 -17.998 -2.898 1.00 0.00 C ATOM 443 CG PRO A 30 13.432 -18.889 -3.999 1.00 0.00 C ATOM 444 CD PRO A 30 13.093 -18.206 -5.293 1.00 0.00 C ATOM 0 HA PRO A 30 11.747 -16.203 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.653 -17.969 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.998 -18.366 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.507 -19.049 -3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.959 -19.869 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.803 -18.454 -6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.104 -18.488 -5.655 1.00 0.00 H new ATOM 452 N LEU A 31 14.716 -15.126 -3.377 1.00 0.00 N ATOM 453 CA LEU A 31 15.626 -14.116 -2.815 1.00 0.00 C ATOM 454 C LEU A 31 15.285 -13.714 -1.365 1.00 0.00 C ATOM 455 O LEU A 31 15.312 -14.552 -0.463 1.00 0.00 O ATOM 456 CB LEU A 31 15.621 -12.884 -3.731 1.00 0.00 C ATOM 457 CG LEU A 31 15.992 -13.152 -5.192 1.00 0.00 C ATOM 458 CD1 LEU A 31 15.152 -12.286 -6.119 1.00 0.00 C ATOM 459 CD2 LEU A 31 17.474 -12.896 -5.421 1.00 0.00 C ATOM 0 H LEU A 31 15.006 -15.465 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 31 16.620 -14.560 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.628 -12.435 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.316 -12.148 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 31 15.786 -14.199 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.427 -12.488 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.096 -12.515 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.330 -11.234 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 17.720 -13.091 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 31 17.705 -11.858 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 31 18.060 -13.555 -4.781 1.00 0.00 H new ATOM 471 N VAL A 32 14.988 -12.427 -1.145 1.00 0.00 N ATOM 472 CA VAL A 32 14.669 -11.916 0.185 1.00 0.00 C ATOM 473 C VAL A 32 13.447 -12.606 0.787 1.00 0.00 C ATOM 474 O VAL A 32 12.625 -13.177 0.073 1.00 0.00 O ATOM 475 CB VAL A 32 14.433 -10.389 0.153 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.059 -10.051 -0.409 1.00 0.00 C ATOM 477 CG2 VAL A 32 14.613 -9.793 1.536 1.00 0.00 C ATOM 0 H VAL A 32 14.963 -11.720 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 32 15.531 -12.134 0.816 1.00 0.00 H new ATOM 0 HB VAL A 32 15.177 -9.949 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.925 -8.969 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.977 -10.435 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.289 -10.507 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.443 -8.717 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.899 -10.246 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.627 -9.986 1.886 1.00 0.00 H new ATOM 487 N SER A 33 13.340 -12.542 2.112 1.00 0.00 N ATOM 488 CA SER A 33 12.226 -13.154 2.826 1.00 0.00 C ATOM 489 C SER A 33 11.013 -12.234 2.860 1.00 0.00 C ATOM 490 O SER A 33 11.089 -11.069 2.469 1.00 0.00 O ATOM 491 CB SER A 33 12.645 -13.516 4.251 1.00 0.00 C ATOM 492 OG SER A 33 13.755 -14.395 4.249 1.00 0.00 O ATOM 0 H SER A 33 14.015 -12.070 2.714 1.00 0.00 H new ATOM 0 HA SER A 33 11.947 -14.061 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.897 -12.609 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.809 -13.983 4.772 1.00 0.00 H new ATOM 0 HG SER A 33 14.004 -14.610 5.172 1.00 0.00 H new ATOM 498 N GLU A 34 9.896 -12.768 3.344 1.00 0.00 N ATOM 499 CA GLU A 34 8.664 -11.998 3.448 1.00 0.00 C ATOM 500 C GLU A 34 8.829 -10.868 4.457 1.00 0.00 C ATOM 501 O GLU A 34 8.098 -9.884 4.425 1.00 0.00 O ATOM 502 CB GLU A 34 7.502 -12.902 3.861 1.00 0.00 C ATOM 503 CG GLU A 34 6.990 -13.787 2.737 1.00 0.00 C ATOM 504 CD GLU A 34 6.274 -15.022 3.249 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.129 -14.890 3.729 1.00 0.00 O ATOM 506 OE2 GLU A 34 6.861 -16.123 3.170 1.00 0.00 O ATOM 0 H GLU A 34 9.820 -13.731 3.670 1.00 0.00 H new ATOM 0 HA GLU A 34 8.444 -11.568 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.820 -13.532 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.683 -12.283 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.311 -13.212 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.827 -14.091 2.108 1.00 0.00 H new ATOM 513 N GLU A 35 9.798 -11.022 5.352 1.00 0.00 N ATOM 514 CA GLU A 35 10.062 -10.016 6.370 1.00 0.00 C ATOM 515 C GLU A 35 10.422 -8.680 5.728 1.00 0.00 C ATOM 516 O GLU A 35 10.113 -7.619 6.275 1.00 0.00 O ATOM 517 CB GLU A 35 11.194 -10.475 7.291 1.00 0.00 C ATOM 518 CG GLU A 35 11.044 -9.996 8.725 1.00 0.00 C ATOM 519 CD GLU A 35 12.300 -9.329 9.253 1.00 0.00 C ATOM 520 OE1 GLU A 35 12.628 -8.221 8.779 1.00 0.00 O ATOM 521 OE2 GLU A 35 12.955 -9.916 10.139 1.00 0.00 O ATOM 0 H GLU A 35 10.413 -11.835 5.392 1.00 0.00 H new ATOM 0 HA GLU A 35 9.156 -9.884 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.238 -11.564 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.143 -10.115 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.212 -9.294 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.792 -10.843 9.363 1.00 0.00 H new ATOM 528 N ASP A 36 11.072 -8.726 4.564 1.00 0.00 N ATOM 529 CA ASP A 36 11.454 -7.499 3.873 1.00 0.00 C ATOM 530 C ASP A 36 10.239 -6.822 3.253 1.00 0.00 C ATOM 531 O ASP A 36 9.951 -5.660 3.534 1.00 0.00 O ATOM 532 CB ASP A 36 12.498 -7.792 2.801 1.00 0.00 C ATOM 533 CG ASP A 36 13.713 -6.892 2.917 1.00 0.00 C ATOM 534 OD1 ASP A 36 13.707 -5.804 2.305 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.671 -7.277 3.620 1.00 0.00 O ATOM 0 H ASP A 36 11.341 -9.587 4.088 1.00 0.00 H new ATOM 0 HA ASP A 36 11.887 -6.820 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.812 -8.833 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.049 -7.666 1.816 1.00 0.00 H new ATOM 540 N MET A 37 9.528 -7.562 2.414 1.00 0.00 N ATOM 541 CA MET A 37 8.340 -7.026 1.760 1.00 0.00 C ATOM 542 C MET A 37 7.312 -6.626 2.806 1.00 0.00 C ATOM 543 O MET A 37 6.774 -5.524 2.771 1.00 0.00 O ATOM 544 CB MET A 37 7.733 -8.046 0.796 1.00 0.00 C ATOM 545 CG MET A 37 8.724 -8.609 -0.206 1.00 0.00 C ATOM 546 SD MET A 37 8.804 -7.652 -1.734 1.00 0.00 S ATOM 547 CE MET A 37 9.122 -6.005 -1.105 1.00 0.00 C ATOM 0 H MET A 37 9.749 -8.527 2.171 1.00 0.00 H new ATOM 0 HA MET A 37 8.634 -6.148 1.184 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.307 -8.867 1.372 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.911 -7.576 0.255 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.714 -8.640 0.249 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.449 -9.637 -0.442 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.590 -5.402 -1.883 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.182 -5.542 -0.805 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.787 -6.067 -0.244 1.00 0.00 H new ATOM 557 N VAL A 38 7.035 -7.537 3.724 1.00 0.00 N ATOM 558 CA VAL A 38 6.062 -7.293 4.776 1.00 0.00 C ATOM 559 C VAL A 38 6.400 -6.022 5.556 1.00 0.00 C ATOM 560 O VAL A 38 5.530 -5.180 5.774 1.00 0.00 O ATOM 561 CB VAL A 38 6.000 -8.497 5.743 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.286 -8.141 7.040 1.00 0.00 C ATOM 563 CG2 VAL A 38 5.328 -9.683 5.068 1.00 0.00 C ATOM 0 H VAL A 38 7.473 -8.457 3.762 1.00 0.00 H new ATOM 0 HA VAL A 38 5.088 -7.161 4.304 1.00 0.00 H new ATOM 0 HB VAL A 38 7.023 -8.771 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.263 -9.013 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.817 -7.329 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.266 -7.826 6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.292 -10.523 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.314 -9.409 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.896 -9.968 4.182 1.00 0.00 H new ATOM 573 N THR A 39 7.655 -5.879 5.984 1.00 0.00 N ATOM 574 CA THR A 39 8.065 -4.702 6.745 1.00 0.00 C ATOM 575 C THR A 39 8.129 -3.452 5.868 1.00 0.00 C ATOM 576 O THR A 39 7.792 -2.357 6.316 1.00 0.00 O ATOM 577 CB THR A 39 9.428 -4.947 7.394 1.00 0.00 C ATOM 578 OG1 THR A 39 9.402 -6.121 8.186 1.00 0.00 O ATOM 579 CG2 THR A 39 9.885 -3.806 8.277 1.00 0.00 C ATOM 0 H THR A 39 8.398 -6.558 5.818 1.00 0.00 H new ATOM 0 HA THR A 39 7.314 -4.531 7.517 1.00 0.00 H new ATOM 0 HB THR A 39 10.129 -5.045 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.482 -6.908 7.607 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.858 -4.045 8.706 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.964 -2.895 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.163 -3.655 9.079 1.00 0.00 H new ATOM 587 N VAL A 40 8.552 -3.618 4.616 1.00 0.00 N ATOM 588 CA VAL A 40 8.643 -2.490 3.692 1.00 0.00 C ATOM 589 C VAL A 40 7.249 -1.974 3.354 1.00 0.00 C ATOM 590 O VAL A 40 7.012 -0.767 3.296 1.00 0.00 O ATOM 591 CB VAL A 40 9.381 -2.879 2.392 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.332 -1.744 1.378 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.822 -3.264 2.697 1.00 0.00 C ATOM 0 H VAL A 40 8.835 -4.515 4.221 1.00 0.00 H new ATOM 0 HA VAL A 40 9.215 -1.704 4.186 1.00 0.00 H new ATOM 0 HB VAL A 40 8.875 -3.741 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.859 -2.043 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.294 -1.517 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.809 -0.859 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.330 -3.536 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.335 -2.419 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.835 -4.113 3.381 1.00 0.00 H new ATOM 603 N VAL A 41 6.330 -2.906 3.152 1.00 0.00 N ATOM 604 CA VAL A 41 4.949 -2.578 2.839 1.00 0.00 C ATOM 605 C VAL A 41 4.278 -1.928 4.047 1.00 0.00 C ATOM 606 O VAL A 41 3.551 -0.944 3.918 1.00 0.00 O ATOM 607 CB VAL A 41 4.168 -3.846 2.434 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.700 -3.535 2.196 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.791 -4.479 1.198 1.00 0.00 C ATOM 0 H VAL A 41 6.520 -3.907 3.200 1.00 0.00 H new ATOM 0 HA VAL A 41 4.944 -1.879 2.003 1.00 0.00 H new ATOM 0 HB VAL A 41 4.227 -4.558 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.176 -4.448 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.261 -3.133 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.609 -2.801 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.229 -5.372 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.766 -3.767 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.825 -4.751 1.411 1.00 0.00 H new ATOM 619 N GLU A 42 4.532 -2.500 5.222 1.00 0.00 N ATOM 620 CA GLU A 42 3.962 -1.998 6.467 1.00 0.00 C ATOM 621 C GLU A 42 4.397 -0.560 6.744 1.00 0.00 C ATOM 622 O GLU A 42 3.560 0.311 6.985 1.00 0.00 O ATOM 623 CB GLU A 42 4.364 -2.902 7.635 1.00 0.00 C ATOM 624 CG GLU A 42 3.206 -3.701 8.208 1.00 0.00 C ATOM 625 CD GLU A 42 3.206 -3.723 9.723 1.00 0.00 C ATOM 626 OE1 GLU A 42 2.619 -2.802 10.331 1.00 0.00 O ATOM 627 OE2 GLU A 42 3.793 -4.660 10.304 1.00 0.00 O ATOM 0 H GLU A 42 5.133 -3.316 5.336 1.00 0.00 H new ATOM 0 HA GLU A 42 2.877 -2.006 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.140 -3.590 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.799 -2.290 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.266 -3.276 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.254 -4.724 7.834 1.00 0.00 H new ATOM 634 N ASP A 43 5.704 -0.311 6.712 1.00 0.00 N ATOM 635 CA ASP A 43 6.217 1.033 6.966 1.00 0.00 C ATOM 636 C ASP A 43 5.723 2.001 5.899 1.00 0.00 C ATOM 637 O ASP A 43 5.429 3.158 6.185 1.00 0.00 O ATOM 638 CB ASP A 43 7.748 1.042 7.036 1.00 0.00 C ATOM 639 CG ASP A 43 8.407 0.481 5.790 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.090 0.960 4.682 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.250 -0.429 5.928 1.00 0.00 O ATOM 0 H ASP A 43 6.419 -1.012 6.516 1.00 0.00 H new ATOM 0 HA ASP A 43 5.839 1.359 7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.092 2.064 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.069 0.462 7.901 1.00 0.00 H new ATOM 646 N TRP A 44 5.645 1.526 4.662 1.00 0.00 N ATOM 647 CA TRP A 44 5.198 2.371 3.562 1.00 0.00 C ATOM 648 C TRP A 44 3.781 2.877 3.824 1.00 0.00 C ATOM 649 O TRP A 44 3.500 4.067 3.677 1.00 0.00 O ATOM 650 CB TRP A 44 5.222 1.588 2.246 1.00 0.00 C ATOM 651 CG TRP A 44 6.581 1.481 1.624 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.723 2.117 2.018 1.00 0.00 C ATOM 653 CD2 TRP A 44 6.935 0.686 0.486 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.767 1.764 1.194 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.306 0.886 0.246 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.223 -0.178 -0.351 1.00 0.00 C ATOM 657 CZ2 TRP A 44 8.980 0.255 -0.798 1.00 0.00 C ATOM 658 CZ3 TRP A 44 6.892 -0.805 -1.386 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.258 -0.585 -1.602 1.00 0.00 C ATOM 0 H TRP A 44 5.883 0.570 4.397 1.00 0.00 H new ATOM 0 HA TRP A 44 5.876 3.221 3.487 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.836 0.585 2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.546 2.068 1.538 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.796 2.797 2.854 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.727 2.100 1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.169 -0.353 -0.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.034 0.423 -0.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.352 -1.475 -2.038 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.752 -1.089 -2.420 1.00 0.00 H new ATOM 670 N MET A 45 2.889 1.965 4.196 1.00 0.00 N ATOM 671 CA MET A 45 1.497 2.313 4.460 1.00 0.00 C ATOM 672 C MET A 45 1.334 3.157 5.724 1.00 0.00 C ATOM 673 O MET A 45 0.545 4.101 5.743 1.00 0.00 O ATOM 674 CB MET A 45 0.655 1.042 4.581 1.00 0.00 C ATOM 675 CG MET A 45 0.057 0.581 3.261 1.00 0.00 C ATOM 676 SD MET A 45 0.568 -1.086 2.804 1.00 0.00 S ATOM 677 CE MET A 45 -0.365 -2.062 3.982 1.00 0.00 C ATOM 0 H MET A 45 3.106 0.976 4.322 1.00 0.00 H new ATOM 0 HA MET A 45 1.152 2.914 3.618 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.274 0.243 4.989 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.151 1.216 5.294 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.030 0.617 3.328 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.351 1.275 2.473 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.155 -3.120 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.078 -1.781 4.995 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.431 -1.880 3.843 1.00 0.00 H new ATOM 687 N ASN A 46 2.060 2.812 6.784 1.00 0.00 N ATOM 688 CA ASN A 46 1.948 3.551 8.039 1.00 0.00 C ATOM 689 C ASN A 46 2.563 4.946 7.921 1.00 0.00 C ATOM 690 O ASN A 46 2.101 5.895 8.565 1.00 0.00 O ATOM 691 CB ASN A 46 2.572 2.756 9.198 1.00 0.00 C ATOM 692 CG ASN A 46 4.060 3.001 9.382 1.00 0.00 C ATOM 693 OD1 ASN A 46 4.763 3.378 8.449 1.00 0.00 O ATOM 694 ND2 ASN A 46 4.547 2.780 10.598 1.00 0.00 N ATOM 0 H ASN A 46 2.723 2.037 6.801 1.00 0.00 H new ATOM 0 HA ASN A 46 0.888 3.683 8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.054 3.013 10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.407 1.692 9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.540 2.923 10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.928 2.467 11.346 1.00 0.00 H new ATOM 701 N PHE A 47 3.584 5.086 7.083 1.00 0.00 N ATOM 702 CA PHE A 47 4.206 6.387 6.892 1.00 0.00 C ATOM 703 C PHE A 47 3.304 7.256 6.039 1.00 0.00 C ATOM 704 O PHE A 47 3.148 8.438 6.306 1.00 0.00 O ATOM 705 CB PHE A 47 5.607 6.258 6.268 1.00 0.00 C ATOM 706 CG PHE A 47 5.790 7.011 4.972 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.923 8.396 4.959 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.829 6.330 3.765 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.091 9.079 3.770 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.996 7.009 2.574 1.00 0.00 C ATOM 711 CZ PHE A 47 6.127 8.385 2.576 1.00 0.00 C ATOM 0 H PHE A 47 3.991 4.328 6.535 1.00 0.00 H new ATOM 0 HA PHE A 47 4.337 6.858 7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.345 6.614 6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.816 5.203 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.895 8.944 5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.727 5.255 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.194 10.154 3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.024 6.465 1.641 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.257 8.917 1.645 1.00 0.00 H new ATOM 721 N TYR A 48 2.696 6.663 5.018 1.00 0.00 N ATOM 722 CA TYR A 48 1.800 7.409 4.151 1.00 0.00 C ATOM 723 C TYR A 48 0.575 7.867 4.929 1.00 0.00 C ATOM 724 O TYR A 48 0.137 9.005 4.795 1.00 0.00 O ATOM 725 CB TYR A 48 1.388 6.568 2.943 1.00 0.00 C ATOM 726 CG TYR A 48 2.379 6.637 1.804 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.768 7.860 1.269 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.931 5.480 1.268 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.679 7.928 0.231 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.842 5.539 0.230 1.00 0.00 C ATOM 731 CZ TYR A 48 4.212 6.764 -0.283 1.00 0.00 C ATOM 732 OH TYR A 48 5.122 6.823 -1.313 1.00 0.00 O ATOM 0 H TYR A 48 2.807 5.679 4.774 1.00 0.00 H new ATOM 0 HA TYR A 48 2.328 8.289 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.273 5.530 3.254 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.414 6.905 2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.352 8.772 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.644 4.519 1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.971 8.885 -0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.261 4.631 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 48 5.458 7.739 -1.401 1.00 0.00 H new ATOM 742 N ILE A 49 0.020 6.975 5.744 1.00 0.00 N ATOM 743 CA ILE A 49 -1.154 7.313 6.538 1.00 0.00 C ATOM 744 C ILE A 49 -0.860 8.477 7.486 1.00 0.00 C ATOM 745 O ILE A 49 -1.610 9.452 7.530 1.00 0.00 O ATOM 746 CB ILE A 49 -1.671 6.103 7.352 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.960 6.467 8.088 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.618 5.622 8.329 1.00 0.00 C ATOM 749 CD1 ILE A 49 -4.202 5.867 7.466 1.00 0.00 C ATOM 0 H ILE A 49 0.361 6.022 5.871 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.932 7.609 5.834 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.886 5.291 6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.884 6.133 9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.062 7.552 8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.004 4.771 8.890 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.275 5.321 7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.367 6.428 9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.078 6.167 8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.302 6.221 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.122 4.780 7.469 1.00 0.00 H new ATOM 761 N ASN A 50 0.238 8.380 8.239 1.00 0.00 N ATOM 762 CA ASN A 50 0.607 9.443 9.175 1.00 0.00 C ATOM 763 C ASN A 50 1.071 10.690 8.425 1.00 0.00 C ATOM 764 O ASN A 50 0.787 11.818 8.827 1.00 0.00 O ATOM 765 CB ASN A 50 1.712 8.961 10.118 1.00 0.00 C ATOM 766 CG ASN A 50 1.179 8.073 11.225 1.00 0.00 C ATOM 767 OD1 ASN A 50 0.540 8.547 12.164 1.00 0.00 O ATOM 768 ND2 ASN A 50 1.441 6.775 11.121 1.00 0.00 N ATOM 0 H ASN A 50 0.879 7.587 8.220 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.275 9.699 9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.461 8.414 9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.213 9.824 10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.109 6.129 11.837 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.975 6.425 10.325 1.00 0.00 H new ATOM 775 N TYR A 51 1.788 10.464 7.334 1.00 0.00 N ATOM 776 CA TYR A 51 2.314 11.539 6.499 1.00 0.00 C ATOM 777 C TYR A 51 1.184 12.353 5.885 1.00 0.00 C ATOM 778 O TYR A 51 1.109 13.570 6.060 1.00 0.00 O ATOM 779 CB TYR A 51 3.186 10.919 5.403 1.00 0.00 C ATOM 780 CG TYR A 51 3.939 11.899 4.544 1.00 0.00 C ATOM 781 CD1 TYR A 51 5.156 12.416 4.959 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.448 12.280 3.304 1.00 0.00 C ATOM 783 CE1 TYR A 51 5.865 13.289 4.164 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.149 13.157 2.502 1.00 0.00 C ATOM 785 CZ TYR A 51 5.358 13.659 2.935 1.00 0.00 C ATOM 786 OH TYR A 51 6.064 14.531 2.137 1.00 0.00 O ATOM 0 H TYR A 51 2.023 9.529 7.000 1.00 0.00 H new ATOM 0 HA TYR A 51 2.910 12.217 7.110 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.904 10.246 5.871 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.552 10.310 4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.555 12.130 5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.503 11.884 2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.813 13.682 4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.753 13.449 1.540 1.00 0.00 H new ATOM 0 HH TYR A 51 5.569 14.687 1.306 1.00 0.00 H new ATOM 796 N TYR A 52 0.306 11.669 5.170 1.00 0.00 N ATOM 797 CA TYR A 52 -0.833 12.312 4.528 1.00 0.00 C ATOM 798 C TYR A 52 -1.785 12.880 5.569 1.00 0.00 C ATOM 799 O TYR A 52 -2.455 13.882 5.330 1.00 0.00 O ATOM 800 CB TYR A 52 -1.565 11.318 3.628 1.00 0.00 C ATOM 801 CG TYR A 52 -0.900 11.136 2.285 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.630 12.231 1.475 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.533 9.876 1.832 1.00 0.00 C ATOM 804 CE1 TYR A 52 -0.012 12.076 0.251 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.084 9.713 0.607 1.00 0.00 C ATOM 806 CZ TYR A 52 0.343 10.816 -0.179 1.00 0.00 C ATOM 807 OH TYR A 52 0.962 10.663 -1.396 1.00 0.00 O ATOM 0 H TYR A 52 0.360 10.662 5.018 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.463 13.134 3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.622 10.353 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.589 11.659 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.908 13.220 1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.733 9.011 2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.192 12.938 -0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.362 8.727 0.266 1.00 0.00 H new ATOM 0 HH TYR A 52 1.722 10.052 -1.302 1.00 0.00 H new ATOM 817 N ARG A 53 -1.836 12.235 6.727 1.00 0.00 N ATOM 818 CA ARG A 53 -2.703 12.680 7.807 1.00 0.00 C ATOM 819 C ARG A 53 -2.329 14.086 8.271 1.00 0.00 C ATOM 820 O ARG A 53 -3.143 14.781 8.877 1.00 0.00 O ATOM 821 CB ARG A 53 -2.614 11.709 8.988 1.00 0.00 C ATOM 822 CG ARG A 53 -3.731 10.677 9.017 1.00 0.00 C ATOM 823 CD ARG A 53 -4.539 10.760 10.303 1.00 0.00 C ATOM 824 NE ARG A 53 -3.893 10.046 11.401 1.00 0.00 N ATOM 825 CZ ARG A 53 -4.273 10.141 12.673 1.00 0.00 C ATOM 826 NH1 ARG A 53 -5.295 10.918 13.011 1.00 0.00 N ATOM 827 NH2 ARG A 53 -3.630 9.458 13.610 1.00 0.00 N ATOM 0 H ARG A 53 -1.287 11.402 6.941 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.725 12.702 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.655 11.192 8.951 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.633 12.278 9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.390 10.830 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.306 9.678 8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.674 11.806 10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.532 10.344 10.135 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.104 9.439 11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.793 11.446 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.582 10.987 13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.844 8.860 13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.921 9.531 14.585 1.00 0.00 H new ATOM 841 N GLN A 54 -1.085 14.492 8.016 1.00 0.00 N ATOM 842 CA GLN A 54 -0.613 15.803 8.449 1.00 0.00 C ATOM 843 C GLN A 54 -0.301 16.746 7.281 1.00 0.00 C ATOM 844 O GLN A 54 -0.081 17.938 7.497 1.00 0.00 O ATOM 845 CB GLN A 54 0.638 15.634 9.314 1.00 0.00 C ATOM 846 CG GLN A 54 0.334 15.248 10.753 1.00 0.00 C ATOM 847 CD GLN A 54 1.539 14.665 11.467 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.063 15.259 12.408 1.00 0.00 O ATOM 849 NE2 GLN A 54 1.981 13.495 11.021 1.00 0.00 N ATOM 0 H GLN A 54 -0.392 13.935 7.516 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.421 16.259 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.277 14.871 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.203 16.566 9.308 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.015 16.127 11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.479 14.522 10.767 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.514 13.039 10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.787 13.052 11.462 1.00 0.00 H new ATOM 858 N GLN A 55 -0.260 16.228 6.054 1.00 0.00 N ATOM 859 CA GLN A 55 0.051 17.073 4.899 1.00 0.00 C ATOM 860 C GLN A 55 -1.183 17.367 4.041 1.00 0.00 C ATOM 861 O GLN A 55 -1.146 17.234 2.817 1.00 0.00 O ATOM 862 CB GLN A 55 1.152 16.436 4.049 1.00 0.00 C ATOM 863 CG GLN A 55 0.725 15.165 3.338 1.00 0.00 C ATOM 864 CD GLN A 55 1.315 15.051 1.946 1.00 0.00 C ATOM 865 OE1 GLN A 55 0.642 14.623 1.009 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.579 15.431 1.805 1.00 0.00 N ATOM 0 H GLN A 55 -0.434 15.247 5.835 1.00 0.00 H new ATOM 0 HA GLN A 55 0.406 18.027 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.488 17.160 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.007 16.213 4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.030 14.302 3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.363 15.138 3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.099 15.780 2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.030 15.374 0.892 1.00 0.00 H new ATOM 927 N PRO A 60 -11.752 20.045 6.724 1.00 0.00 N ATOM 928 CA PRO A 60 -11.416 18.764 7.356 1.00 0.00 C ATOM 929 C PRO A 60 -12.050 17.576 6.641 1.00 0.00 C ATOM 930 O PRO A 60 -11.536 16.459 6.697 1.00 0.00 O ATOM 931 CB PRO A 60 -11.983 18.901 8.771 1.00 0.00 C ATOM 932 CG PRO A 60 -13.066 19.916 8.650 1.00 0.00 C ATOM 933 CD PRO A 60 -12.617 20.874 7.583 1.00 0.00 C ATOM 0 HA PRO A 60 -10.344 18.570 7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.371 17.950 9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.216 19.223 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.012 19.447 8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.225 20.432 9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.462 21.283 7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.073 21.720 8.005 1.00 0.00 H new ATOM 941 N GLN A 61 -13.172 17.822 5.969 1.00 0.00 N ATOM 942 CA GLN A 61 -13.875 16.769 5.246 1.00 0.00 C ATOM 943 C GLN A 61 -13.022 16.227 4.102 1.00 0.00 C ATOM 944 O GLN A 61 -13.035 15.030 3.819 1.00 0.00 O ATOM 945 CB GLN A 61 -15.203 17.297 4.698 1.00 0.00 C ATOM 946 CG GLN A 61 -16.339 17.250 5.707 1.00 0.00 C ATOM 947 CD GLN A 61 -17.287 16.091 5.465 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.181 15.045 6.105 1.00 0.00 O ATOM 949 NE2 GLN A 61 -18.218 16.272 4.535 1.00 0.00 N ATOM 0 H GLN A 61 -13.612 18.740 5.911 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.073 15.956 5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.066 18.326 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.483 16.713 3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.924 17.171 6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.897 18.186 5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -18.268 17.156 4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -18.883 15.527 4.327 1.00 0.00 H new ATOM 958 N GLU A 62 -12.286 17.118 3.449 1.00 0.00 N ATOM 959 CA GLU A 62 -11.428 16.733 2.336 1.00 0.00 C ATOM 960 C GLU A 62 -10.307 15.816 2.810 1.00 0.00 C ATOM 961 O GLU A 62 -10.044 14.781 2.200 1.00 0.00 O ATOM 962 CB GLU A 62 -10.839 17.976 1.665 1.00 0.00 C ATOM 963 CG GLU A 62 -11.667 18.484 0.496 1.00 0.00 C ATOM 964 CD GLU A 62 -11.231 19.859 0.028 1.00 0.00 C ATOM 965 OE1 GLU A 62 -10.165 19.959 -0.612 1.00 0.00 O ATOM 966 OE2 GLU A 62 -11.959 20.837 0.303 1.00 0.00 O ATOM 0 H GLU A 62 -12.266 18.113 3.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.034 16.192 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.746 18.770 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.832 17.748 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.589 17.780 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.717 18.519 0.787 1.00 0.00 H new ATOM 973 N ARG A 63 -9.654 16.194 3.906 1.00 0.00 N ATOM 974 CA ARG A 63 -8.575 15.386 4.450 1.00 0.00 C ATOM 975 C ARG A 63 -9.104 14.019 4.856 1.00 0.00 C ATOM 976 O ARG A 63 -8.534 12.989 4.502 1.00 0.00 O ATOM 977 CB ARG A 63 -7.941 16.064 5.672 1.00 0.00 C ATOM 978 CG ARG A 63 -7.869 17.580 5.588 1.00 0.00 C ATOM 979 CD ARG A 63 -7.140 18.162 6.789 1.00 0.00 C ATOM 980 NE ARG A 63 -6.613 19.499 6.521 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.887 20.197 7.393 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.606 19.691 8.588 1.00 0.00 N ATOM 983 NH2 ARG A 63 -5.443 21.403 7.069 1.00 0.00 N ATOM 0 H ARG A 63 -9.853 17.047 4.428 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.815 15.275 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.510 15.789 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.933 15.672 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.357 17.872 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.877 17.992 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.821 18.205 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.321 17.500 7.070 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.813 19.922 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.946 18.764 8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.050 20.230 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.657 21.796 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.887 21.938 7.736 1.00 0.00 H new ATOM 997 N ASP A 64 -10.180 14.023 5.635 1.00 0.00 N ATOM 998 CA ASP A 64 -10.759 12.780 6.125 1.00 0.00 C ATOM 999 C ASP A 64 -11.088 11.826 4.984 1.00 0.00 C ATOM 1000 O ASP A 64 -10.825 10.626 5.092 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.019 13.068 6.944 1.00 0.00 C ATOM 1002 CG ASP A 64 -12.169 12.131 8.126 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -12.538 10.957 7.909 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.919 12.570 9.268 1.00 0.00 O ATOM 0 H ASP A 64 -10.665 14.867 5.938 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.016 12.299 6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.989 14.097 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.895 12.980 6.301 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.648 12.331 3.887 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.978 11.471 2.758 1.00 0.00 C ATOM 1011 C LYS A 65 -10.712 10.887 2.152 1.00 0.00 C ATOM 1012 O LYS A 65 -10.609 9.680 1.936 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.758 12.265 1.706 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.051 11.489 0.431 1.00 0.00 C ATOM 1015 CD LYS A 65 -12.991 12.393 -0.794 1.00 0.00 C ATOM 1016 CE LYS A 65 -11.837 12.018 -1.710 1.00 0.00 C ATOM 1017 NZ LYS A 65 -12.159 10.833 -2.553 1.00 0.00 N ATOM 0 H LYS A 65 -11.879 13.316 3.758 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.602 10.649 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.701 12.596 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.193 13.162 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.331 10.678 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.038 11.032 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.930 12.325 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.882 13.430 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.593 12.865 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.951 11.807 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.279 10.345 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.769 10.182 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.654 11.143 -3.413 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.745 11.752 1.887 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.479 11.322 1.315 1.00 0.00 C ATOM 1033 C ALA A 66 -7.822 10.279 2.212 1.00 0.00 C ATOM 1034 O ALA A 66 -7.306 9.268 1.735 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.553 12.513 1.116 1.00 0.00 C ATOM 0 H ALA A 66 -9.813 12.755 2.059 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.672 10.871 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.610 12.173 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.021 13.229 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.363 12.991 2.077 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.846 10.536 3.517 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.255 9.628 4.490 1.00 0.00 C ATOM 1043 C LEU A 67 -7.869 8.235 4.395 1.00 0.00 C ATOM 1044 O LEU A 67 -7.154 7.232 4.408 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.440 10.186 5.903 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.247 10.967 6.457 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.700 11.932 5.414 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.647 11.715 7.721 1.00 0.00 C ATOM 0 H LEU A 67 -8.271 11.369 3.924 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.191 9.542 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.314 10.838 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.656 9.358 6.578 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.458 10.258 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.852 12.476 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.376 11.373 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.479 12.638 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.789 12.266 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.453 12.412 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.986 11.003 8.473 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.195 8.172 4.295 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.881 6.890 4.198 1.00 0.00 C ATOM 1062 C GLN A 68 -9.653 6.257 2.831 1.00 0.00 C ATOM 1063 O GLN A 68 -9.425 5.052 2.727 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.380 7.055 4.463 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.062 8.043 3.533 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.571 8.035 3.674 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.247 7.132 3.180 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.108 9.042 4.351 1.00 0.00 N ATOM 0 H GLN A 68 -9.809 8.986 4.279 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.466 6.228 4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.866 6.084 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.524 7.381 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.688 9.046 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.796 7.808 2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.510 9.769 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.119 9.089 4.479 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.729 7.070 1.782 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.540 6.574 0.425 1.00 0.00 C ATOM 1079 C GLU A 69 -8.142 5.999 0.248 1.00 0.00 C ATOM 1080 O GLU A 69 -7.966 4.969 -0.404 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.783 7.694 -0.590 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.109 7.571 -1.325 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.028 6.647 -2.523 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -10.343 7.005 -3.505 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -11.650 5.564 -2.481 1.00 0.00 O ATOM 0 H GLU A 69 -9.919 8.070 1.846 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.263 5.777 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.750 8.654 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.972 7.696 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.869 7.201 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.431 8.559 -1.654 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.150 6.652 0.841 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.780 6.168 0.747 1.00 0.00 C ATOM 1094 C LEU A 70 -5.650 4.860 1.511 1.00 0.00 C ATOM 1095 O LEU A 70 -5.120 3.874 0.998 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.802 7.210 1.297 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.111 8.072 0.239 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.752 9.434 0.811 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.871 7.370 -0.291 1.00 0.00 C ATOM 0 H LEU A 70 -7.266 7.507 1.385 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.535 5.995 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.340 7.865 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.038 6.696 1.881 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.803 8.221 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.261 10.033 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.659 9.940 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.078 9.307 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.391 7.997 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.176 7.191 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.156 6.418 -0.740 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.138 4.863 2.746 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.082 3.681 3.598 1.00 0.00 C ATOM 1113 C ARG A 71 -6.732 2.490 2.904 1.00 0.00 C ATOM 1114 O ARG A 71 -6.264 1.358 3.023 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.780 3.957 4.930 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.431 2.959 6.022 1.00 0.00 C ATOM 1117 CD ARG A 71 -6.581 3.573 7.404 1.00 0.00 C ATOM 1118 NE ARG A 71 -5.678 2.963 8.376 1.00 0.00 N ATOM 1119 CZ ARG A 71 -5.940 1.830 9.024 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -7.074 1.174 8.802 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -5.066 1.349 9.897 1.00 0.00 N ATOM 0 H ARG A 71 -6.578 5.674 3.181 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.036 3.443 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.515 4.959 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.859 3.948 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.077 2.085 5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.407 2.612 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.384 4.644 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.610 3.456 7.743 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.794 3.433 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.751 1.538 8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.268 0.306 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.193 1.847 10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.266 0.481 10.394 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.807 2.753 2.167 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.508 1.700 1.444 1.00 0.00 C ATOM 1137 C GLN A 72 -7.686 1.247 0.241 1.00 0.00 C ATOM 1138 O GLN A 72 -7.546 0.050 -0.016 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.881 2.192 0.984 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.815 1.073 0.553 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.715 0.600 1.676 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -11.245 0.241 2.755 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -13.020 0.596 1.426 1.00 0.00 N ATOM 0 H GLN A 72 -8.210 3.683 2.056 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.646 0.853 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.348 2.751 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.750 2.885 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.429 1.418 -0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.225 0.233 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.366 0.902 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.676 0.287 2.143 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.137 2.215 -0.487 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.322 1.924 -1.659 1.00 0.00 C ATOM 1154 C GLU A 73 -5.146 1.028 -1.288 1.00 0.00 C ATOM 1155 O GLU A 73 -4.881 0.030 -1.954 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.814 3.221 -2.292 1.00 0.00 C ATOM 1157 CG GLU A 73 -5.872 3.219 -3.812 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.264 2.928 -4.340 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.096 3.858 -4.363 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.519 1.770 -4.733 1.00 0.00 O ATOM 0 H GLU A 73 -7.243 3.209 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.944 1.399 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.405 4.056 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.785 3.391 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.540 4.187 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.177 2.473 -4.198 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.443 1.386 -0.218 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.301 0.601 0.233 1.00 0.00 C ATOM 1169 C LEU A 74 -3.757 -0.772 0.713 1.00 0.00 C ATOM 1170 O LEU A 74 -3.139 -1.788 0.398 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.560 1.327 1.357 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.327 2.823 1.126 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.494 3.598 2.423 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.944 3.058 0.538 1.00 0.00 C ATOM 0 H LEU A 74 -4.643 2.210 0.349 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.621 0.473 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.124 1.202 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.594 0.844 1.505 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.072 3.182 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.324 4.659 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.504 3.454 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.773 3.238 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.793 4.126 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.187 2.683 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.860 2.534 -0.414 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.830 -0.794 1.499 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.349 -2.045 2.044 1.00 0.00 C ATOM 1188 C ASN A 75 -5.569 -3.067 0.933 1.00 0.00 C ATOM 1189 O ASN A 75 -5.244 -4.244 1.090 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.660 -1.796 2.795 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.587 -2.228 4.248 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.672 -3.415 4.560 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.427 -1.261 5.144 1.00 0.00 N ATOM 0 H ASN A 75 -5.355 0.037 1.772 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.613 -2.444 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.907 -0.736 2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.467 -2.335 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.370 -1.490 6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.361 -0.290 4.840 1.00 0.00 H new ATOM 1200 N THR A 76 -6.093 -2.610 -0.195 1.00 0.00 N ATOM 1201 CA THR A 76 -6.315 -3.498 -1.330 1.00 0.00 C ATOM 1202 C THR A 76 -5.015 -3.691 -2.111 1.00 0.00 C ATOM 1203 O THR A 76 -4.619 -4.814 -2.407 1.00 0.00 O ATOM 1204 CB THR A 76 -7.415 -2.947 -2.245 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.615 -3.804 -3.356 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.127 -1.562 -2.782 1.00 0.00 C ATOM 0 H THR A 76 -6.370 -1.641 -0.350 1.00 0.00 H new ATOM 0 HA THR A 76 -6.643 -4.466 -0.952 1.00 0.00 H new ATOM 0 HB THR A 76 -8.304 -2.891 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.321 -3.438 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.950 -1.241 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.019 -0.865 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.204 -1.581 -3.362 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.372 -2.578 -2.451 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.126 -2.583 -3.216 1.00 0.00 C ATOM 1216 C LEU A 77 -2.088 -3.554 -2.645 1.00 0.00 C ATOM 1217 O LEU A 77 -1.457 -4.303 -3.392 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.541 -1.170 -3.260 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.169 -0.239 -4.300 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.452 1.102 -4.318 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.140 -0.881 -5.681 1.00 0.00 C ATOM 0 H LEU A 77 -4.700 -1.644 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.367 -2.923 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.652 -0.717 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.472 -1.242 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.210 -0.068 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.912 1.751 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.527 1.568 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.402 0.950 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.591 -0.204 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.108 -1.084 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.701 -1.815 -5.660 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.890 -3.517 -1.331 1.00 0.00 N ATOM 1234 CA ALA A 78 -0.903 -4.376 -0.675 1.00 0.00 C ATOM 1235 C ALA A 78 -1.352 -5.836 -0.607 1.00 0.00 C ATOM 1236 O ALA A 78 -0.524 -6.744 -0.539 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.607 -3.855 0.723 1.00 0.00 C ATOM 0 H ALA A 78 -2.399 -2.902 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 78 0.004 -4.346 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.128 -4.500 1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.212 -2.841 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.525 -3.850 1.311 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.662 -6.057 -0.586 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.205 -7.410 -0.477 1.00 0.00 C ATOM 1245 C ASN A 79 -2.593 -8.362 -1.511 1.00 0.00 C ATOM 1246 O ASN A 79 -2.143 -9.452 -1.159 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.727 -7.384 -0.634 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.380 -8.663 -0.147 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.742 -9.530 -0.942 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.532 -8.787 1.166 1.00 0.00 N ATOM 0 H ASN A 79 -3.366 -5.322 -0.643 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.945 -7.784 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.132 -6.538 -0.079 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.979 -7.227 -1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.964 -9.626 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.217 -8.043 1.788 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.561 -7.978 -2.800 1.00 0.00 N ATOM 1258 CA PRO A 80 -1.991 -8.824 -3.854 1.00 0.00 C ATOM 1259 C PRO A 80 -0.477 -8.980 -3.730 1.00 0.00 C ATOM 1260 O PRO A 80 0.098 -9.927 -4.267 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.344 -8.080 -5.143 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.507 -6.661 -4.725 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.074 -6.708 -3.335 1.00 0.00 C ATOM 0 HA PRO A 80 -2.384 -9.840 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.557 -8.185 -5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.260 -8.470 -5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.552 -6.136 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.174 -6.128 -5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.744 -5.858 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.164 -6.687 -3.345 1.00 0.00 H new ATOM 1271 N PHE A 81 0.170 -8.051 -3.027 1.00 0.00 N ATOM 1272 CA PHE A 81 1.618 -8.090 -2.842 1.00 0.00 C ATOM 1273 C PHE A 81 2.019 -9.204 -1.880 1.00 0.00 C ATOM 1274 O PHE A 81 2.860 -10.047 -2.198 1.00 0.00 O ATOM 1275 CB PHE A 81 2.090 -6.734 -2.291 1.00 0.00 C ATOM 1276 CG PHE A 81 3.570 -6.463 -2.408 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.474 -7.470 -2.712 1.00 0.00 C ATOM 1278 CD2 PHE A 81 4.053 -5.176 -2.215 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.824 -7.197 -2.821 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.399 -4.900 -2.325 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.286 -5.911 -2.628 1.00 0.00 C ATOM 0 H PHE A 81 -0.289 -7.260 -2.575 1.00 0.00 H new ATOM 0 HA PHE A 81 2.089 -8.289 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.551 -5.943 -2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.809 -6.671 -1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.119 -8.478 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.364 -4.379 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.518 -7.990 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.758 -3.893 -2.174 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.341 -5.697 -2.714 1.00 0.00 H new ATOM 1291 N LEU A 82 1.414 -9.199 -0.700 1.00 0.00 N ATOM 1292 CA LEU A 82 1.713 -10.200 0.316 1.00 0.00 C ATOM 1293 C LEU A 82 1.241 -11.587 -0.104 1.00 0.00 C ATOM 1294 O LEU A 82 1.841 -12.592 0.279 1.00 0.00 O ATOM 1295 CB LEU A 82 1.078 -9.807 1.651 1.00 0.00 C ATOM 1296 CG LEU A 82 1.473 -8.423 2.173 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.934 -8.209 3.580 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.986 -8.253 2.150 1.00 0.00 C ATOM 0 H LEU A 82 0.713 -8.513 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 82 2.796 -10.239 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.006 -9.843 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.350 -10.552 2.399 1.00 0.00 H new ATOM 0 HG LEU A 82 1.033 -7.671 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.225 -7.220 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.153 -8.285 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.344 -8.968 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.247 -7.263 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.447 -9.013 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.349 -8.361 1.128 1.00 0.00 H new ATOM 1310 N ALA A 83 0.174 -11.647 -0.893 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.349 -12.926 -1.351 1.00 0.00 C ATOM 1312 C ALA A 83 0.548 -13.524 -2.425 1.00 0.00 C ATOM 1313 O ALA A 83 0.951 -14.684 -2.342 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.770 -12.765 -1.870 1.00 0.00 C ATOM 0 H ALA A 83 -0.341 -10.832 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.366 -13.611 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.145 -13.731 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.408 -12.387 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.776 -12.062 -2.703 1.00 0.00 H new ATOM 1320 N LYS A 84 0.869 -12.718 -3.425 1.00 0.00 N ATOM 1321 CA LYS A 84 1.734 -13.164 -4.508 1.00 0.00 C ATOM 1322 C LYS A 84 3.126 -13.486 -3.973 1.00 0.00 C ATOM 1323 O LYS A 84 3.829 -14.345 -4.508 1.00 0.00 O ATOM 1324 CB LYS A 84 1.825 -12.093 -5.596 1.00 0.00 C ATOM 1325 CG LYS A 84 0.724 -12.195 -6.640 1.00 0.00 C ATOM 1326 CD LYS A 84 1.069 -11.410 -7.897 1.00 0.00 C ATOM 1327 CE LYS A 84 0.199 -10.172 -8.038 1.00 0.00 C ATOM 1328 NZ LYS A 84 -1.004 -10.430 -8.877 1.00 0.00 N ATOM 0 H LYS A 84 0.545 -11.754 -3.510 1.00 0.00 H new ATOM 0 HA LYS A 84 1.305 -14.067 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.783 -11.108 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.793 -12.171 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.562 -13.242 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.210 -11.821 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.118 -11.117 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.941 -12.047 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.113 -9.834 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.784 -9.366 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.571 -9.561 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.707 -10.728 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.576 -11.181 -8.442 1.00 0.00 H new ATOM 1342 N TYR A 85 3.507 -12.799 -2.899 1.00 0.00 N ATOM 1343 CA TYR A 85 4.809 -13.038 -2.298 1.00 0.00 C ATOM 1344 C TYR A 85 4.789 -14.316 -1.467 1.00 0.00 C ATOM 1345 O TYR A 85 5.649 -15.179 -1.635 1.00 0.00 O ATOM 1346 CB TYR A 85 5.273 -11.853 -1.455 1.00 0.00 C ATOM 1347 CG TYR A 85 6.778 -11.704 -1.457 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.427 -11.063 -2.505 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.550 -12.222 -0.426 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.802 -10.944 -2.527 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.927 -12.104 -0.438 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.550 -11.465 -1.491 1.00 0.00 C ATOM 1353 OH TYR A 85 10.922 -11.347 -1.511 1.00 0.00 O ATOM 0 H TYR A 85 2.943 -12.086 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 85 5.527 -13.160 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.819 -10.938 -1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.924 -11.979 -0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.846 -10.651 -3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.067 -12.725 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.290 -10.445 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.513 -12.510 0.373 1.00 0.00 H new ATOM 0 HH TYR A 85 11.319 -12.051 -0.956 1.00 0.00 H new ATOM 1363 N ARG A 86 3.819 -14.440 -0.560 1.00 0.00 N ATOM 1364 CA ARG A 86 3.736 -15.627 0.286 1.00 0.00 C ATOM 1365 C ARG A 86 3.706 -16.892 -0.568 1.00 0.00 C ATOM 1366 O ARG A 86 4.330 -17.896 -0.225 1.00 0.00 O ATOM 1367 CB ARG A 86 2.500 -15.564 1.190 1.00 0.00 C ATOM 1368 CG ARG A 86 1.185 -15.727 0.447 1.00 0.00 C ATOM 1369 CD ARG A 86 0.018 -15.906 1.406 1.00 0.00 C ATOM 1370 NE ARG A 86 -0.083 -14.804 2.362 1.00 0.00 N ATOM 1371 CZ ARG A 86 0.466 -14.817 3.576 1.00 0.00 C ATOM 1372 NH1 ARG A 86 1.166 -15.866 3.991 1.00 0.00 N ATOM 1373 NH2 ARG A 86 0.314 -13.772 4.380 1.00 0.00 N ATOM 0 H ARG A 86 3.092 -13.744 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 86 4.623 -15.656 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.577 -16.343 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.494 -14.608 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.010 -14.853 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.246 -16.589 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.909 -15.979 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.135 -16.845 1.947 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.606 -13.974 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.288 -16.672 3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.582 -15.865 4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.222 -12.962 4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.733 -13.779 5.310 1.00 0.00 H new ATOM 1387 N ASP A 87 2.997 -16.834 -1.692 1.00 0.00 N ATOM 1388 CA ASP A 87 2.917 -17.973 -2.595 1.00 0.00 C ATOM 1389 C ASP A 87 4.234 -18.127 -3.357 1.00 0.00 C ATOM 1390 O ASP A 87 4.702 -19.239 -3.596 1.00 0.00 O ATOM 1391 CB ASP A 87 1.731 -17.814 -3.561 1.00 0.00 C ATOM 1392 CG ASP A 87 2.138 -17.315 -4.938 1.00 0.00 C ATOM 1393 OD1 ASP A 87 2.789 -18.082 -5.679 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.804 -16.160 -5.273 1.00 0.00 O ATOM 0 H ASP A 87 2.473 -16.014 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 87 2.750 -18.878 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.225 -18.774 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.010 -17.119 -3.129 1.00 0.00 H new ATOM 1399 N PHE A 88 4.824 -16.992 -3.729 1.00 0.00 N ATOM 1400 CA PHE A 88 6.091 -16.982 -4.455 1.00 0.00 C ATOM 1401 C PHE A 88 7.203 -17.592 -3.607 1.00 0.00 C ATOM 1402 O PHE A 88 8.076 -18.295 -4.116 1.00 0.00 O ATOM 1403 CB PHE A 88 6.458 -15.542 -4.838 1.00 0.00 C ATOM 1404 CG PHE A 88 7.861 -15.383 -5.359 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.135 -15.542 -6.707 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.903 -15.070 -4.498 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.422 -15.395 -7.188 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.190 -14.923 -4.974 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.450 -15.086 -6.319 1.00 0.00 C ATOM 0 H PHE A 88 4.443 -16.065 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 88 5.978 -17.580 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.758 -15.190 -5.596 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.331 -14.902 -3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.334 -15.784 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.705 -14.940 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.624 -15.521 -8.241 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.993 -14.680 -4.294 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.457 -14.972 -6.692 1.00 0.00 H new ATOM 1419 N LEU A 89 7.161 -17.310 -2.311 1.00 0.00 N ATOM 1420 CA LEU A 89 8.162 -17.819 -1.381 1.00 0.00 C ATOM 1421 C LEU A 89 7.895 -19.279 -1.020 1.00 0.00 C ATOM 1422 O LEU A 89 8.818 -20.092 -0.961 1.00 0.00 O ATOM 1423 CB LEU A 89 8.188 -16.963 -0.114 1.00 0.00 C ATOM 1424 CG LEU A 89 9.538 -16.908 0.601 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.867 -18.257 1.222 1.00 0.00 C ATOM 1426 CD2 LEU A 89 10.634 -16.479 -0.363 1.00 0.00 C ATOM 0 H LEU A 89 6.442 -16.730 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 89 9.133 -17.765 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.890 -15.947 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.441 -17.347 0.581 1.00 0.00 H new ATOM 0 HG LEU A 89 9.476 -16.169 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.831 -18.200 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.095 -18.523 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.911 -19.016 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.588 -16.445 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.697 -17.194 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.403 -15.490 -0.760 1.00 0.00 H new ATOM 1438 N LYS A 90 6.628 -19.604 -0.775 1.00 0.00 N ATOM 1439 CA LYS A 90 6.239 -20.966 -0.416 1.00 0.00 C ATOM 1440 C LYS A 90 6.354 -21.909 -1.610 1.00 0.00 C ATOM 1441 O LYS A 90 6.631 -23.098 -1.451 1.00 0.00 O ATOM 1442 CB LYS A 90 4.806 -20.982 0.121 1.00 0.00 C ATOM 1443 CG LYS A 90 4.719 -20.811 1.629 1.00 0.00 C ATOM 1444 CD LYS A 90 3.522 -19.963 2.025 1.00 0.00 C ATOM 1445 CE LYS A 90 3.175 -20.140 3.496 1.00 0.00 C ATOM 1446 NZ LYS A 90 4.186 -19.504 4.385 1.00 0.00 N ATOM 0 H LYS A 90 5.853 -18.943 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 90 6.921 -21.314 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.238 -20.186 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.333 -21.924 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.646 -21.790 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.634 -20.346 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.736 -18.913 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.663 -20.236 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.195 -19.706 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.105 -21.203 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.913 -19.647 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.117 -19.935 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.234 -18.485 4.182 1.00 0.00 H new ATOM 1460 N SER A 91 6.134 -21.371 -2.804 1.00 0.00 N ATOM 1461 CA SER A 91 6.205 -22.163 -4.025 1.00 0.00 C ATOM 1462 C SER A 91 7.651 -22.492 -4.380 1.00 0.00 C ATOM 1463 O SER A 91 8.055 -23.655 -4.369 1.00 0.00 O ATOM 1464 CB SER A 91 5.542 -21.413 -5.182 1.00 0.00 C ATOM 1465 OG SER A 91 6.168 -20.162 -5.405 1.00 0.00 O ATOM 0 H SER A 91 5.905 -20.388 -2.952 1.00 0.00 H new ATOM 0 HA SER A 91 5.672 -23.098 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.595 -22.016 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.485 -21.260 -4.962 1.00 0.00 H new ATOM 0 HG SER A 91 5.922 -19.541 -4.688 1.00 0.00 H new