USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 261 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 27 LYS NZ :NH3+ 165:sc= -0.556 (180deg=-1.19) USER MOD Set 1.2: A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.359 K(o=-0.36,f=-7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= -0.0146 (180deg=-0.0889) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 3 1.676 4.655 3.229 1.00 0.00 N ATOM 40 CA ILE A 3 2.172 4.254 4.573 1.00 0.00 C ATOM 41 C ILE A 3 3.634 3.810 4.476 1.00 0.00 C ATOM 42 O ILE A 3 4.050 3.210 3.502 1.00 0.00 O ATOM 43 CB ILE A 3 1.283 3.087 5.002 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.530 1.890 4.081 1.00 0.00 C ATOM 45 CG2 ILE A 3 -0.185 3.504 4.908 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.946 0.626 4.716 1.00 0.00 C ATOM 0 HA ILE A 3 2.130 5.074 5.290 1.00 0.00 H new ATOM 0 HB ILE A 3 1.519 2.810 6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.071 2.066 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.599 1.763 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.820 2.672 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.364 4.357 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.420 3.781 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.122 -0.226 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.425 0.448 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.126 0.755 4.863 1.00 0.00 H new ATOM 58 N ASN A 4 4.417 4.105 5.477 1.00 0.00 N ATOM 59 CA ASN A 4 5.853 3.706 5.444 1.00 0.00 C ATOM 60 C ASN A 4 6.012 2.249 5.891 1.00 0.00 C ATOM 61 O ASN A 4 6.514 1.972 6.962 1.00 0.00 O ATOM 62 CB ASN A 4 6.548 4.644 6.431 1.00 0.00 C ATOM 63 CG ASN A 4 5.968 4.435 7.830 1.00 0.00 C ATOM 64 OD1 ASN A 4 4.768 4.343 7.995 1.00 0.00 O ATOM 65 ND2 ASN A 4 6.775 4.357 8.853 1.00 0.00 N ATOM 0 H ASN A 4 4.125 4.605 6.317 1.00 0.00 H new ATOM 0 HA ASN A 4 6.276 3.779 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.621 4.451 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.413 5.680 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.398 4.219 9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.783 4.434 8.715 1.00 0.00 H new ATOM 72 N ALA A 5 5.588 1.318 5.083 1.00 0.00 N ATOM 73 CA ALA A 5 5.721 -0.116 5.469 1.00 0.00 C ATOM 74 C ALA A 5 6.757 -0.809 4.580 1.00 0.00 C ATOM 75 O ALA A 5 6.733 -2.012 4.416 1.00 0.00 O ATOM 76 CB ALA A 5 4.333 -0.718 5.245 1.00 0.00 C ATOM 0 H ALA A 5 5.156 1.486 4.174 1.00 0.00 H new ATOM 0 HA ALA A 5 6.055 -0.237 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.348 -1.776 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.606 -0.199 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.054 -0.608 4.197 1.00 0.00 H new ATOM 82 N LYS A 6 7.664 -0.052 4.013 1.00 0.00 N ATOM 83 CA LYS A 6 8.717 -0.642 3.126 1.00 0.00 C ATOM 84 C LYS A 6 8.171 -1.850 2.362 1.00 0.00 C ATOM 85 O LYS A 6 8.632 -2.963 2.518 1.00 0.00 O ATOM 86 CB LYS A 6 9.854 -1.057 4.056 1.00 0.00 C ATOM 87 CG LYS A 6 9.330 -1.987 5.154 1.00 0.00 C ATOM 88 CD LYS A 6 10.503 -2.477 6.007 1.00 0.00 C ATOM 89 CE LYS A 6 9.972 -3.213 7.239 1.00 0.00 C ATOM 90 NZ LYS A 6 10.419 -2.394 8.400 1.00 0.00 N ATOM 0 H LYS A 6 7.721 0.960 4.128 1.00 0.00 H new ATOM 0 HA LYS A 6 9.054 0.072 2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.634 -1.561 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.307 -0.173 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.607 -1.461 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.810 -2.835 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.139 -3.140 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.120 -1.632 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.886 -3.297 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.369 -4.227 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.092 -2.836 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.457 -2.337 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.020 -1.437 8.324 1.00 0.00 H new ATOM 104 N CYS A 7 7.190 -1.626 1.540 1.00 0.00 N ATOM 105 CA CYS A 7 6.592 -2.745 0.755 1.00 0.00 C ATOM 106 C CYS A 7 7.664 -3.436 -0.092 1.00 0.00 C ATOM 107 O CYS A 7 8.769 -2.949 -0.231 1.00 0.00 O ATOM 108 CB CYS A 7 5.548 -2.078 -0.141 1.00 0.00 C ATOM 109 SG CYS A 7 6.364 -0.886 -1.230 1.00 0.00 S ATOM 0 H CYS A 7 6.771 -0.711 1.374 1.00 0.00 H new ATOM 0 HA CYS A 7 6.156 -3.512 1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.027 -2.830 -0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.797 -1.576 0.469 1.00 0.00 H new ATOM 114 N ARG A 8 7.344 -4.567 -0.657 1.00 0.00 N ATOM 115 CA ARG A 8 8.340 -5.292 -1.496 1.00 0.00 C ATOM 116 C ARG A 8 7.787 -5.514 -2.906 1.00 0.00 C ATOM 117 O ARG A 8 8.527 -5.661 -3.858 1.00 0.00 O ATOM 118 CB ARG A 8 8.550 -6.632 -0.791 1.00 0.00 C ATOM 119 CG ARG A 8 9.410 -6.428 0.458 1.00 0.00 C ATOM 120 CD ARG A 8 10.688 -7.259 0.334 1.00 0.00 C ATOM 121 NE ARG A 8 11.313 -7.211 1.685 1.00 0.00 N ATOM 122 CZ ARG A 8 12.419 -6.543 1.867 1.00 0.00 C ATOM 123 NH1 ARG A 8 12.667 -5.486 1.143 1.00 0.00 N ATOM 124 NH2 ARG A 8 13.274 -6.930 2.773 1.00 0.00 N ATOM 0 H ARG A 8 6.435 -5.021 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 8 9.270 -4.734 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.588 -7.064 -0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.034 -7.337 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.658 -5.373 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.855 -6.724 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.465 -8.284 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.354 -6.847 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 8 10.877 -7.700 2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.997 -5.183 0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.531 -4.963 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.078 -7.755 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.138 -6.407 2.915 1.00 0.00 H new ATOM 138 N GLY A 9 6.488 -5.543 -3.047 1.00 0.00 N ATOM 139 CA GLY A 9 5.889 -5.759 -4.396 1.00 0.00 C ATOM 140 C GLY A 9 4.528 -5.063 -4.471 1.00 0.00 C ATOM 141 O GLY A 9 3.823 -4.944 -3.490 1.00 0.00 O ATOM 0 H GLY A 9 5.817 -5.427 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.552 -5.366 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.774 -6.826 -4.587 1.00 0.00 H new ATOM 145 N SER A 10 4.154 -4.601 -5.632 1.00 0.00 N ATOM 146 CA SER A 10 2.840 -3.912 -5.777 1.00 0.00 C ATOM 147 C SER A 10 1.723 -4.696 -5.073 1.00 0.00 C ATOM 148 O SER A 10 0.974 -4.131 -4.302 1.00 0.00 O ATOM 149 CB SER A 10 2.588 -3.857 -7.282 1.00 0.00 C ATOM 150 OG SER A 10 2.357 -2.510 -7.669 1.00 0.00 O ATOM 0 H SER A 10 4.703 -4.671 -6.489 1.00 0.00 H new ATOM 0 HA SER A 10 2.852 -2.921 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.445 -4.261 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.728 -4.475 -7.541 1.00 0.00 H new ATOM 0 HG SER A 10 2.196 -2.470 -8.635 1.00 0.00 H new ATOM 156 N PRO A 11 1.629 -5.973 -5.365 1.00 0.00 N ATOM 157 CA PRO A 11 0.575 -6.814 -4.748 1.00 0.00 C ATOM 158 C PRO A 11 0.739 -6.868 -3.227 1.00 0.00 C ATOM 159 O PRO A 11 -0.174 -7.221 -2.508 1.00 0.00 O ATOM 160 CB PRO A 11 0.823 -8.186 -5.385 1.00 0.00 C ATOM 161 CG PRO A 11 2.017 -8.074 -6.352 1.00 0.00 C ATOM 162 CD PRO A 11 2.558 -6.640 -6.309 1.00 0.00 C ATOM 0 HA PRO A 11 -0.435 -6.440 -4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.030 -8.929 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.066 -8.520 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.798 -8.780 -6.070 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.707 -8.330 -7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.589 -6.606 -5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.542 -6.171 -7.293 1.00 0.00 H new ATOM 170 N GLU A 12 1.895 -6.521 -2.730 1.00 0.00 N ATOM 171 CA GLU A 12 2.107 -6.555 -1.254 1.00 0.00 C ATOM 172 C GLU A 12 1.310 -5.433 -0.581 1.00 0.00 C ATOM 173 O GLU A 12 0.935 -5.530 0.573 1.00 0.00 O ATOM 174 CB GLU A 12 3.610 -6.342 -1.066 1.00 0.00 C ATOM 175 CG GLU A 12 3.957 -6.427 0.421 1.00 0.00 C ATOM 176 CD GLU A 12 5.271 -7.188 0.598 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.294 -8.371 0.296 1.00 0.00 O ATOM 178 OE2 GLU A 12 6.234 -6.576 1.032 1.00 0.00 O ATOM 0 H GLU A 12 2.699 -6.217 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 12 1.772 -7.491 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.167 -7.095 -1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.903 -5.370 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.045 -5.425 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.157 -6.931 0.963 1.00 0.00 H new ATOM 185 N CYS A 13 1.040 -4.372 -1.292 1.00 0.00 N ATOM 186 CA CYS A 13 0.263 -3.252 -0.687 1.00 0.00 C ATOM 187 C CYS A 13 -1.220 -3.623 -0.582 1.00 0.00 C ATOM 188 O CYS A 13 -1.924 -3.137 0.277 1.00 0.00 O ATOM 189 CB CYS A 13 0.454 -2.065 -1.631 1.00 0.00 C ATOM 190 SG CYS A 13 0.636 -0.544 -0.662 1.00 0.00 S ATOM 0 H CYS A 13 1.322 -4.232 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 13 0.603 -3.023 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.335 -2.220 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.400 -1.980 -2.303 1.00 0.00 H new ATOM 195 N LEU A 14 -1.706 -4.478 -1.440 1.00 0.00 N ATOM 196 CA LEU A 14 -3.145 -4.857 -1.351 1.00 0.00 C ATOM 197 C LEU A 14 -3.454 -5.378 0.060 1.00 0.00 C ATOM 198 O LEU A 14 -4.343 -4.873 0.716 1.00 0.00 O ATOM 199 CB LEU A 14 -3.353 -5.948 -2.405 1.00 0.00 C ATOM 200 CG LEU A 14 -4.421 -5.503 -3.408 1.00 0.00 C ATOM 201 CD1 LEU A 14 -5.631 -4.944 -2.656 1.00 0.00 C ATOM 202 CD2 LEU A 14 -3.845 -4.420 -4.324 1.00 0.00 C ATOM 0 H LEU A 14 -1.178 -4.925 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.810 -4.013 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.415 -6.149 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.657 -6.878 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.731 -6.359 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.390 -4.628 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.044 -5.716 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.322 -4.090 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.606 -4.104 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.532 -3.565 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.986 -4.819 -4.863 1.00 0.00 H new ATOM 214 N PRO A 15 -2.704 -6.366 0.498 1.00 0.00 N ATOM 215 CA PRO A 15 -2.907 -6.933 1.853 1.00 0.00 C ATOM 216 C PRO A 15 -2.600 -5.883 2.927 1.00 0.00 C ATOM 217 O PRO A 15 -3.369 -5.674 3.844 1.00 0.00 O ATOM 218 CB PRO A 15 -1.876 -8.064 1.906 1.00 0.00 C ATOM 219 CG PRO A 15 -1.107 -8.097 0.572 1.00 0.00 C ATOM 220 CD PRO A 15 -1.629 -6.971 -0.328 1.00 0.00 C ATOM 0 HA PRO A 15 -3.929 -7.266 2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.186 -7.908 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.372 -9.019 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.039 -7.974 0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.240 -9.062 0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.848 -6.249 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.012 -7.353 -1.274 1.00 0.00 H new ATOM 228 N LYS A 16 -1.471 -5.232 2.823 1.00 0.00 N ATOM 229 CA LYS A 16 -1.100 -4.207 3.843 1.00 0.00 C ATOM 230 C LYS A 16 -2.005 -2.975 3.740 1.00 0.00 C ATOM 231 O LYS A 16 -2.585 -2.536 4.715 1.00 0.00 O ATOM 232 CB LYS A 16 0.346 -3.834 3.512 1.00 0.00 C ATOM 233 CG LYS A 16 1.214 -5.094 3.528 1.00 0.00 C ATOM 234 CD LYS A 16 1.433 -5.546 4.973 1.00 0.00 C ATOM 235 CE LYS A 16 2.394 -4.581 5.671 1.00 0.00 C ATOM 236 NZ LYS A 16 2.094 -4.727 7.123 1.00 0.00 N ATOM 0 H LYS A 16 -0.790 -5.366 2.076 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.212 -4.587 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.395 -3.358 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.722 -3.112 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.732 -5.887 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.173 -4.894 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.481 -5.576 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.840 -6.557 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.432 -4.832 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.237 -3.556 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.713 -4.096 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.100 -4.475 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.259 -5.712 7.414 1.00 0.00 H new ATOM 250 N CYS A 17 -2.127 -2.407 2.572 1.00 0.00 N ATOM 251 CA CYS A 17 -2.989 -1.202 2.419 1.00 0.00 C ATOM 252 C CYS A 17 -4.400 -1.499 2.921 1.00 0.00 C ATOM 253 O CYS A 17 -4.970 -0.745 3.683 1.00 0.00 O ATOM 254 CB CYS A 17 -3.004 -0.909 0.918 1.00 0.00 C ATOM 255 SG CYS A 17 -3.786 0.696 0.624 1.00 0.00 S ATOM 0 H CYS A 17 -1.668 -2.725 1.718 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.618 -0.353 2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.987 -0.907 0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.547 -1.692 0.389 1.00 0.00 H new ATOM 260 N LYS A 18 -4.964 -2.597 2.505 1.00 0.00 N ATOM 261 CA LYS A 18 -6.339 -2.946 2.963 1.00 0.00 C ATOM 262 C LYS A 18 -6.370 -3.055 4.487 1.00 0.00 C ATOM 263 O LYS A 18 -7.342 -2.705 5.127 1.00 0.00 O ATOM 264 CB LYS A 18 -6.644 -4.299 2.321 1.00 0.00 C ATOM 265 CG LYS A 18 -8.154 -4.535 2.326 1.00 0.00 C ATOM 266 CD LYS A 18 -8.568 -5.170 3.654 1.00 0.00 C ATOM 267 CE LYS A 18 -8.422 -6.690 3.560 1.00 0.00 C ATOM 268 NZ LYS A 18 -9.762 -7.176 3.129 1.00 0.00 N ATOM 0 H LYS A 18 -4.534 -3.268 1.868 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.073 -2.191 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.265 -4.323 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.139 -5.095 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.680 -3.591 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.434 -5.185 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.948 -4.784 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.599 -4.907 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.650 -6.969 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.135 -7.120 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.744 -8.212 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.475 -6.901 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.005 -6.755 2.209 1.00 0.00 H new ATOM 282 N GLU A 19 -5.311 -3.539 5.073 1.00 0.00 N ATOM 283 CA GLU A 19 -5.275 -3.671 6.557 1.00 0.00 C ATOM 284 C GLU A 19 -4.572 -2.461 7.176 1.00 0.00 C ATOM 285 O GLU A 19 -4.283 -2.435 8.355 1.00 0.00 O ATOM 286 CB GLU A 19 -4.475 -4.947 6.821 1.00 0.00 C ATOM 287 CG GLU A 19 -5.335 -6.169 6.488 1.00 0.00 C ATOM 288 CD GLU A 19 -5.235 -7.186 7.626 1.00 0.00 C ATOM 289 OE1 GLU A 19 -4.266 -7.124 8.365 1.00 0.00 O ATOM 290 OE2 GLU A 19 -6.128 -8.008 7.740 1.00 0.00 O ATOM 0 H GLU A 19 -4.468 -3.849 4.589 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.273 -3.718 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.568 -4.952 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.162 -4.983 7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.373 -5.869 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.001 -6.619 5.553 1.00 0.00 H new ATOM 297 N ALA A 20 -4.290 -1.457 6.389 1.00 0.00 N ATOM 298 CA ALA A 20 -3.600 -0.255 6.939 1.00 0.00 C ATOM 299 C ALA A 20 -4.445 1.005 6.714 1.00 0.00 C ATOM 300 O ALA A 20 -4.232 2.022 7.345 1.00 0.00 O ATOM 301 CB ALA A 20 -2.287 -0.163 6.163 1.00 0.00 C ATOM 0 H ALA A 20 -4.507 -1.417 5.393 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.438 -0.334 8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.719 0.700 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.705 -1.070 6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.500 -0.053 5.100 1.00 0.00 H new ATOM 307 N ILE A 21 -5.397 0.953 5.821 1.00 0.00 N ATOM 308 CA ILE A 21 -6.240 2.159 5.567 1.00 0.00 C ATOM 309 C ILE A 21 -7.731 1.799 5.611 1.00 0.00 C ATOM 310 O ILE A 21 -8.567 2.631 5.901 1.00 0.00 O ATOM 311 CB ILE A 21 -5.841 2.638 4.171 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.565 3.949 3.856 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.230 1.582 3.137 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.224 4.392 2.433 1.00 0.00 C ATOM 0 H ILE A 21 -5.627 0.133 5.259 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.086 2.930 6.322 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.763 2.799 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.642 3.815 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.270 4.720 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.945 1.925 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.715 0.647 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.307 1.420 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.740 5.326 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.148 4.542 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.541 3.624 1.727 1.00 0.00 H new ATOM 326 N GLY A 22 -8.072 0.570 5.332 1.00 0.00 N ATOM 327 CA GLY A 22 -9.510 0.173 5.367 1.00 0.00 C ATOM 328 C GLY A 22 -10.007 -0.114 3.948 1.00 0.00 C ATOM 329 O GLY A 22 -11.167 -0.403 3.735 1.00 0.00 O ATOM 0 H GLY A 22 -7.421 -0.174 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.637 -0.711 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.105 0.968 5.816 1.00 0.00 H new ATOM 333 N LYS A 23 -9.140 -0.040 2.975 1.00 0.00 N ATOM 334 CA LYS A 23 -9.569 -0.311 1.573 1.00 0.00 C ATOM 335 C LYS A 23 -8.481 -1.087 0.827 1.00 0.00 C ATOM 336 O LYS A 23 -7.314 -0.754 0.887 1.00 0.00 O ATOM 337 CB LYS A 23 -9.772 1.071 0.948 1.00 0.00 C ATOM 338 CG LYS A 23 -11.144 1.613 1.349 1.00 0.00 C ATOM 339 CD LYS A 23 -12.205 1.084 0.382 1.00 0.00 C ATOM 340 CE LYS A 23 -13.251 0.282 1.161 1.00 0.00 C ATOM 341 NZ LYS A 23 -13.216 -1.080 0.559 1.00 0.00 N ATOM 0 H LYS A 23 -8.154 0.196 3.090 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.475 -0.915 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.988 1.752 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.698 1.006 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.383 1.310 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.135 2.703 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.682 1.913 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.740 0.455 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.013 0.250 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.241 0.729 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.691 -1.753 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.705 -1.067 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.228 -1.373 0.420 1.00 0.00 H new ATOM 355 N ALA A 24 -8.854 -2.121 0.125 1.00 0.00 N ATOM 356 CA ALA A 24 -7.840 -2.917 -0.623 1.00 0.00 C ATOM 357 C ALA A 24 -7.369 -2.147 -1.861 1.00 0.00 C ATOM 358 O ALA A 24 -7.444 -2.635 -2.972 1.00 0.00 O ATOM 359 CB ALA A 24 -8.564 -4.199 -1.032 1.00 0.00 C ATOM 0 H ALA A 24 -9.816 -2.449 0.037 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.954 -3.124 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.881 -4.840 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.908 -4.723 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.420 -3.949 -1.659 1.00 0.00 H new ATOM 365 N ALA A 25 -6.886 -0.949 -1.678 1.00 0.00 N ATOM 366 CA ALA A 25 -6.411 -0.149 -2.844 1.00 0.00 C ATOM 367 C ALA A 25 -5.060 0.498 -2.527 1.00 0.00 C ATOM 368 O ALA A 25 -4.990 1.546 -1.917 1.00 0.00 O ATOM 369 CB ALA A 25 -7.483 0.922 -3.051 1.00 0.00 C ATOM 0 H ALA A 25 -6.799 -0.489 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.268 -0.761 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.207 1.555 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.441 0.443 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.566 1.532 -2.152 1.00 0.00 H new ATOM 375 N GLY A 26 -3.984 -0.119 -2.937 1.00 0.00 N ATOM 376 CA GLY A 26 -2.643 0.467 -2.654 1.00 0.00 C ATOM 377 C GLY A 26 -1.587 -0.188 -3.548 1.00 0.00 C ATOM 378 O GLY A 26 -1.756 -1.294 -4.020 1.00 0.00 O ATOM 0 H GLY A 26 -3.976 -0.999 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.663 1.543 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.386 0.319 -1.605 1.00 0.00 H new ATOM 382 N LYS A 27 -0.494 0.491 -3.779 1.00 0.00 N ATOM 383 CA LYS A 27 0.583 -0.087 -4.638 1.00 0.00 C ATOM 384 C LYS A 27 1.935 0.018 -3.925 1.00 0.00 C ATOM 385 O LYS A 27 2.017 0.450 -2.794 1.00 0.00 O ATOM 386 CB LYS A 27 0.577 0.762 -5.909 1.00 0.00 C ATOM 387 CG LYS A 27 -0.780 0.636 -6.603 1.00 0.00 C ATOM 388 CD LYS A 27 -1.304 2.028 -6.959 1.00 0.00 C ATOM 389 CE LYS A 27 -0.351 2.689 -7.957 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.173 4.079 -7.454 1.00 0.00 N ATOM 0 H LYS A 27 -0.300 1.422 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 27 0.418 -1.142 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.775 1.805 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.372 0.436 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.684 0.031 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.488 0.126 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.303 1.954 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.387 2.638 -6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.601 2.161 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.768 2.684 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.647 4.515 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.027 4.635 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.015 4.059 -6.426 1.00 0.00 H new ATOM 404 N CYS A 28 2.998 -0.374 -4.573 1.00 0.00 N ATOM 405 CA CYS A 28 4.335 -0.295 -3.915 1.00 0.00 C ATOM 406 C CYS A 28 5.367 0.338 -4.853 1.00 0.00 C ATOM 407 O CYS A 28 5.688 -0.201 -5.892 1.00 0.00 O ATOM 408 CB CYS A 28 4.711 -1.744 -3.610 1.00 0.00 C ATOM 409 SG CYS A 28 6.422 -1.812 -3.025 1.00 0.00 S ATOM 0 H CYS A 28 3.000 -0.743 -5.524 1.00 0.00 H new ATOM 0 HA CYS A 28 4.310 0.323 -3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.040 -2.154 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.596 -2.357 -4.504 1.00 0.00 H new ATOM 414 N MET A 29 5.893 1.476 -4.487 1.00 0.00 N ATOM 415 CA MET A 29 6.911 2.141 -5.351 1.00 0.00 C ATOM 416 C MET A 29 7.875 2.962 -4.492 1.00 0.00 C ATOM 417 O MET A 29 7.524 3.434 -3.429 1.00 0.00 O ATOM 418 CB MET A 29 6.111 3.056 -6.280 1.00 0.00 C ATOM 419 CG MET A 29 7.060 3.724 -7.276 1.00 0.00 C ATOM 420 SD MET A 29 7.852 2.456 -8.296 1.00 0.00 S ATOM 421 CE MET A 29 6.616 2.426 -9.617 1.00 0.00 C ATOM 0 H MET A 29 5.662 1.974 -3.627 1.00 0.00 H new ATOM 0 HA MET A 29 7.512 1.422 -5.908 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.354 2.480 -6.812 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.585 3.813 -5.698 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.510 4.422 -7.907 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.815 4.302 -6.744 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.908 1.697 -10.372 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.647 2.150 -9.202 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.547 3.413 -10.074 1.00 0.00 H new ATOM 431 N ASN A 30 9.087 3.138 -4.943 1.00 0.00 N ATOM 432 CA ASN A 30 10.068 3.932 -4.147 1.00 0.00 C ATOM 433 C ASN A 30 10.307 3.269 -2.789 1.00 0.00 C ATOM 434 O ASN A 30 10.877 3.858 -1.892 1.00 0.00 O ATOM 435 CB ASN A 30 9.411 5.300 -3.958 1.00 0.00 C ATOM 436 CG ASN A 30 10.058 6.314 -4.901 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.226 6.622 -4.772 1.00 0.00 O ATOM 438 ND2 ASN A 30 9.342 6.851 -5.850 1.00 0.00 N ATOM 0 H ASN A 30 9.440 2.768 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 30 11.036 4.006 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.342 5.232 -4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.521 5.628 -2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.763 7.530 -6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.361 6.592 -5.958 1.00 0.00 H new ATOM 445 N GLY A 31 9.872 2.050 -2.627 1.00 0.00 N ATOM 446 CA GLY A 31 10.071 1.358 -1.323 1.00 0.00 C ATOM 447 C GLY A 31 8.975 1.795 -0.346 1.00 0.00 C ATOM 448 O GLY A 31 9.138 1.726 0.855 1.00 0.00 O ATOM 0 H GLY A 31 9.388 1.504 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.040 0.277 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.053 1.598 -0.917 1.00 0.00 H new ATOM 452 N LYS A 32 7.858 2.244 -0.854 1.00 0.00 N ATOM 453 CA LYS A 32 6.751 2.683 0.045 1.00 0.00 C ATOM 454 C LYS A 32 5.429 2.069 -0.418 1.00 0.00 C ATOM 455 O LYS A 32 5.302 1.623 -1.540 1.00 0.00 O ATOM 456 CB LYS A 32 6.715 4.206 -0.083 1.00 0.00 C ATOM 457 CG LYS A 32 7.873 4.812 0.711 1.00 0.00 C ATOM 458 CD LYS A 32 8.265 6.157 0.098 1.00 0.00 C ATOM 459 CE LYS A 32 9.272 6.859 1.013 1.00 0.00 C ATOM 460 NZ LYS A 32 9.965 7.842 0.136 1.00 0.00 N ATOM 0 H LYS A 32 7.664 2.326 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 32 6.903 2.369 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.788 4.495 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.765 4.590 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.582 4.946 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.727 4.134 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.699 6.006 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.381 6.780 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.771 7.355 1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.977 6.148 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.672 8.364 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.438 7.340 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.270 8.510 -0.254 1.00 0.00 H new ATOM 474 N CYS A 33 4.444 2.037 0.437 1.00 0.00 N ATOM 475 CA CYS A 33 3.137 1.441 0.037 1.00 0.00 C ATOM 476 C CYS A 33 2.119 2.555 -0.226 1.00 0.00 C ATOM 477 O CYS A 33 1.847 3.371 0.632 1.00 0.00 O ATOM 478 CB CYS A 33 2.720 0.602 1.243 1.00 0.00 C ATOM 479 SG CYS A 33 2.061 -0.995 0.695 1.00 0.00 S ATOM 0 H CYS A 33 4.486 2.396 1.391 1.00 0.00 H new ATOM 0 HA CYS A 33 3.200 0.847 -0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.576 0.445 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.967 1.135 1.823 1.00 0.00 H new ATOM 484 N LYS A 34 1.556 2.599 -1.404 1.00 0.00 N ATOM 485 CA LYS A 34 0.559 3.667 -1.711 1.00 0.00 C ATOM 486 C LYS A 34 -0.847 3.195 -1.337 1.00 0.00 C ATOM 487 O LYS A 34 -1.121 2.013 -1.293 1.00 0.00 O ATOM 488 CB LYS A 34 0.664 3.891 -3.222 1.00 0.00 C ATOM 489 CG LYS A 34 1.610 5.062 -3.503 1.00 0.00 C ATOM 490 CD LYS A 34 2.848 4.554 -4.246 1.00 0.00 C ATOM 491 CE LYS A 34 2.728 4.890 -5.735 1.00 0.00 C ATOM 492 NZ LYS A 34 3.448 6.184 -5.897 1.00 0.00 N ATOM 0 H LYS A 34 1.742 1.945 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 34 0.750 4.583 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.032 2.988 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.322 4.099 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.101 5.819 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.904 5.538 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.746 5.011 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.948 3.477 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.174 4.110 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.684 4.978 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.409 6.480 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.998 6.909 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.440 6.068 -5.609 1.00 0.00 H new ATOM 506 N CYS A 35 -1.742 4.107 -1.064 1.00 0.00 N ATOM 507 CA CYS A 35 -3.127 3.699 -0.692 1.00 0.00 C ATOM 508 C CYS A 35 -4.143 4.738 -1.180 1.00 0.00 C ATOM 509 O CYS A 35 -3.800 5.862 -1.484 1.00 0.00 O ATOM 510 CB CYS A 35 -3.124 3.632 0.835 1.00 0.00 C ATOM 511 SG CYS A 35 -2.467 2.033 1.365 1.00 0.00 S ATOM 0 H CYS A 35 -1.574 5.113 -1.082 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.408 2.748 -1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.518 4.440 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.136 3.767 1.218 1.00 0.00 H new ATOM 516 N TYR A 36 -5.392 4.366 -1.250 1.00 0.00 N ATOM 517 CA TYR A 36 -6.434 5.328 -1.711 1.00 0.00 C ATOM 518 C TYR A 36 -7.743 5.083 -0.951 1.00 0.00 C ATOM 519 O TYR A 36 -7.946 4.018 -0.403 1.00 0.00 O ATOM 520 CB TYR A 36 -6.615 5.038 -3.200 1.00 0.00 C ATOM 521 CG TYR A 36 -5.357 5.414 -3.944 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.104 6.755 -4.255 1.00 0.00 C ATOM 523 CD2 TYR A 36 -4.445 4.423 -4.323 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.937 7.105 -4.946 1.00 0.00 C ATOM 525 CE2 TYR A 36 -3.278 4.772 -5.012 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.024 6.113 -5.323 1.00 0.00 C ATOM 527 OH TYR A 36 -1.873 6.457 -6.004 1.00 0.00 O ATOM 0 H TYR A 36 -5.736 3.437 -1.008 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.149 6.365 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.837 3.982 -3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.463 5.601 -3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.808 7.520 -3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.642 3.388 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.742 8.139 -5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.574 4.007 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.161 5.820 -5.785 1.00 0.00 H new ATOM 537 N PRO A 37 -8.593 6.079 -0.942 1.00 0.00 N ATOM 538 CA PRO A 37 -9.893 5.963 -0.241 1.00 0.00 C ATOM 539 C PRO A 37 -10.733 4.834 -0.846 1.00 0.00 C ATOM 540 O PRO A 37 -10.315 4.284 -1.852 1.00 0.00 O ATOM 541 CB PRO A 37 -10.537 7.328 -0.498 1.00 0.00 C ATOM 542 CG PRO A 37 -9.572 8.182 -1.344 1.00 0.00 C ATOM 543 CD PRO A 37 -8.305 7.361 -1.628 1.00 0.00 C ATOM 544 OXT PRO A 37 -11.779 4.538 -0.292 1.00 0.00 O ATOM 0 HA PRO A 37 -9.799 5.725 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.487 7.205 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.753 7.827 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.049 8.476 -2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.316 9.100 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.143 7.222 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.412 7.842 -1.230 1.00 0.00 H new