USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=5 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 30 ASN : amide:sc= -0.972 X(o=-0.97,f=-0.81) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.489! C(o=-0.49!,f=-8!) USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.664) USER MOD Single : A 10 SER OG : rot 180:sc= -0.744 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+ -171:sc=-4.83e-05 (180deg=-0.0536) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.309 (180deg=-1.86!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 3 1.730 5.713 2.991 1.00 0.00 N ATOM 40 CA ILE A 3 2.439 5.206 4.204 1.00 0.00 C ATOM 41 C ILE A 3 3.829 4.683 3.835 1.00 0.00 C ATOM 42 O ILE A 3 4.011 4.037 2.822 1.00 0.00 O ATOM 43 CB ILE A 3 1.565 4.068 4.740 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.016 3.241 3.572 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.399 4.652 5.539 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.696 1.826 4.053 1.00 0.00 C ATOM 0 HA ILE A 3 2.583 5.992 4.945 1.00 0.00 H new ATOM 0 HB ILE A 3 2.167 3.428 5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.119 3.711 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.746 3.205 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.223 3.842 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.786 5.236 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.199 5.295 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.306 1.239 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.603 1.357 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.050 1.871 4.847 1.00 0.00 H new ATOM 58 N ASN A 4 4.810 4.954 4.654 1.00 0.00 N ATOM 59 CA ASN A 4 6.186 4.467 4.351 1.00 0.00 C ATOM 60 C ASN A 4 6.172 2.946 4.181 1.00 0.00 C ATOM 61 O ASN A 4 6.775 2.411 3.271 1.00 0.00 O ATOM 62 CB ASN A 4 7.030 4.870 5.562 1.00 0.00 C ATOM 63 CG ASN A 4 6.642 4.017 6.770 1.00 0.00 C ATOM 64 OD1 ASN A 4 5.473 3.838 7.052 1.00 0.00 O ATOM 65 ND2 ASN A 4 7.579 3.476 7.501 1.00 0.00 N ATOM 0 H ASN A 4 4.718 5.490 5.517 1.00 0.00 H new ATOM 0 HA ASN A 4 6.584 4.889 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.089 4.740 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.879 5.926 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.330 2.904 8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.560 3.626 7.265 1.00 0.00 H new ATOM 72 N ALA A 5 5.480 2.251 5.047 1.00 0.00 N ATOM 73 CA ALA A 5 5.412 0.764 4.943 1.00 0.00 C ATOM 74 C ALA A 5 6.763 0.192 4.501 1.00 0.00 C ATOM 75 O ALA A 5 7.810 0.657 4.908 1.00 0.00 O ATOM 76 CB ALA A 5 4.342 0.494 3.884 1.00 0.00 C ATOM 0 H ALA A 5 4.957 2.653 5.825 1.00 0.00 H new ATOM 0 HA ALA A 5 5.173 0.296 5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.229 -0.581 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.393 0.920 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.640 0.951 2.941 1.00 0.00 H new ATOM 82 N LYS A 6 6.744 -0.810 3.670 1.00 0.00 N ATOM 83 CA LYS A 6 8.019 -1.416 3.192 1.00 0.00 C ATOM 84 C LYS A 6 7.714 -2.484 2.148 1.00 0.00 C ATOM 85 O LYS A 6 8.176 -3.605 2.227 1.00 0.00 O ATOM 86 CB LYS A 6 8.653 -2.038 4.430 1.00 0.00 C ATOM 87 CG LYS A 6 7.677 -3.029 5.068 1.00 0.00 C ATOM 88 CD LYS A 6 7.257 -2.516 6.448 1.00 0.00 C ATOM 89 CE LYS A 6 5.894 -3.105 6.821 1.00 0.00 C ATOM 90 NZ LYS A 6 6.073 -4.581 6.724 1.00 0.00 N ATOM 0 H LYS A 6 5.896 -1.239 3.298 1.00 0.00 H new ATOM 0 HA LYS A 6 8.683 -0.687 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.578 -2.547 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.915 -1.259 5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.800 -3.153 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.145 -4.009 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.002 -2.796 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.205 -1.427 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.598 -2.809 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.114 -2.756 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.393 -5.055 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.910 -4.887 5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.041 -4.833 7.009 1.00 0.00 H new ATOM 104 N CYS A 7 6.927 -2.136 1.174 1.00 0.00 N ATOM 105 CA CYS A 7 6.564 -3.117 0.112 1.00 0.00 C ATOM 106 C CYS A 7 7.823 -3.651 -0.574 1.00 0.00 C ATOM 107 O CYS A 7 8.803 -2.952 -0.730 1.00 0.00 O ATOM 108 CB CYS A 7 5.709 -2.329 -0.879 1.00 0.00 C ATOM 109 SG CYS A 7 6.651 -0.911 -1.489 1.00 0.00 S ATOM 0 H CYS A 7 6.515 -1.209 1.064 1.00 0.00 H new ATOM 0 HA CYS A 7 6.034 -3.980 0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.414 -2.969 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.792 -1.990 -0.396 1.00 0.00 H new ATOM 114 N ARG A 8 7.799 -4.888 -0.986 1.00 0.00 N ATOM 115 CA ARG A 8 8.989 -5.472 -1.663 1.00 0.00 C ATOM 116 C ARG A 8 8.676 -5.735 -3.138 1.00 0.00 C ATOM 117 O ARG A 8 9.555 -6.017 -3.929 1.00 0.00 O ATOM 118 CB ARG A 8 9.254 -6.786 -0.929 1.00 0.00 C ATOM 119 CG ARG A 8 10.192 -6.531 0.252 1.00 0.00 C ATOM 120 CD ARG A 8 11.633 -6.449 -0.254 1.00 0.00 C ATOM 121 NE ARG A 8 11.839 -7.708 -1.021 1.00 0.00 N ATOM 122 CZ ARG A 8 12.755 -7.766 -1.948 1.00 0.00 C ATOM 123 NH1 ARG A 8 13.984 -8.071 -1.632 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.442 -7.517 -3.190 1.00 0.00 N ATOM 0 H ARG A 8 7.005 -5.520 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 8 9.852 -4.807 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.315 -7.213 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.698 -7.512 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.918 -5.604 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.097 -7.332 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.781 -5.573 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.339 -6.370 0.573 1.00 0.00 H new ATOM 0 HE ARG A 8 11.263 -8.526 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.228 -8.264 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.701 -8.116 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.482 -7.277 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.158 -7.562 -3.915 1.00 0.00 H new ATOM 138 N GLY A 9 7.429 -5.645 -3.514 1.00 0.00 N ATOM 139 CA GLY A 9 7.058 -5.891 -4.936 1.00 0.00 C ATOM 140 C GLY A 9 5.918 -4.954 -5.337 1.00 0.00 C ATOM 141 O GLY A 9 6.104 -4.023 -6.095 1.00 0.00 O ATOM 0 H GLY A 9 6.651 -5.412 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.921 -5.727 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.753 -6.929 -5.069 1.00 0.00 H new ATOM 145 N SER A 10 4.737 -5.195 -4.835 1.00 0.00 N ATOM 146 CA SER A 10 3.577 -4.324 -5.186 1.00 0.00 C ATOM 147 C SER A 10 2.260 -4.973 -4.734 1.00 0.00 C ATOM 148 O SER A 10 1.497 -4.364 -4.013 1.00 0.00 O ATOM 149 CB SER A 10 3.614 -4.187 -6.710 1.00 0.00 C ATOM 150 OG SER A 10 2.302 -4.358 -7.228 1.00 0.00 O ATOM 0 H SER A 10 4.524 -5.960 -4.195 1.00 0.00 H new ATOM 0 HA SER A 10 3.636 -3.354 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.003 -3.208 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.286 -4.931 -7.137 1.00 0.00 H new ATOM 0 HG SER A 10 2.321 -4.269 -8.204 1.00 0.00 H new ATOM 156 N PRO A 11 2.026 -6.190 -5.168 1.00 0.00 N ATOM 157 CA PRO A 11 0.781 -6.902 -4.791 1.00 0.00 C ATOM 158 C PRO A 11 0.690 -7.066 -3.269 1.00 0.00 C ATOM 159 O PRO A 11 -0.376 -7.275 -2.723 1.00 0.00 O ATOM 160 CB PRO A 11 0.943 -8.258 -5.482 1.00 0.00 C ATOM 161 CG PRO A 11 2.285 -8.273 -6.238 1.00 0.00 C ATOM 162 CD PRO A 11 2.974 -6.917 -6.050 1.00 0.00 C ATOM 0 HA PRO A 11 -0.127 -6.376 -5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.915 -9.062 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.118 -8.430 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.921 -9.075 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.119 -8.468 -7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.956 -7.022 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.120 -6.402 -6.999 1.00 0.00 H new ATOM 170 N GLU A 12 1.796 -6.976 -2.583 1.00 0.00 N ATOM 171 CA GLU A 12 1.764 -7.130 -1.100 1.00 0.00 C ATOM 172 C GLU A 12 1.184 -5.870 -0.451 1.00 0.00 C ATOM 173 O GLU A 12 0.767 -5.881 0.693 1.00 0.00 O ATOM 174 CB GLU A 12 3.224 -7.323 -0.691 1.00 0.00 C ATOM 175 CG GLU A 12 3.585 -8.808 -0.769 1.00 0.00 C ATOM 176 CD GLU A 12 2.748 -9.592 0.242 1.00 0.00 C ATOM 177 OE1 GLU A 12 2.528 -9.076 1.326 1.00 0.00 O ATOM 178 OE2 GLU A 12 2.340 -10.696 -0.083 1.00 0.00 O ATOM 0 H GLU A 12 2.718 -6.803 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 12 1.139 -7.965 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.876 -6.745 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.381 -6.953 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.404 -9.184 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.646 -8.946 -0.563 1.00 0.00 H new ATOM 185 N CYS A 13 1.153 -4.782 -1.173 1.00 0.00 N ATOM 186 CA CYS A 13 0.602 -3.522 -0.598 1.00 0.00 C ATOM 187 C CYS A 13 -0.907 -3.652 -0.380 1.00 0.00 C ATOM 188 O CYS A 13 -1.478 -2.997 0.471 1.00 0.00 O ATOM 189 CB CYS A 13 0.899 -2.446 -1.643 1.00 0.00 C ATOM 190 SG CYS A 13 2.084 -1.260 -0.965 1.00 0.00 S ATOM 0 H CYS A 13 1.485 -4.712 -2.135 1.00 0.00 H new ATOM 0 HA CYS A 13 1.043 -3.285 0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.302 -2.903 -2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.021 -1.935 -1.927 1.00 0.00 H new ATOM 195 N LEU A 14 -1.559 -4.489 -1.139 1.00 0.00 N ATOM 196 CA LEU A 14 -3.028 -4.653 -0.969 1.00 0.00 C ATOM 197 C LEU A 14 -3.349 -5.109 0.461 1.00 0.00 C ATOM 198 O LEU A 14 -4.071 -4.434 1.168 1.00 0.00 O ATOM 199 CB LEU A 14 -3.432 -5.709 -1.995 1.00 0.00 C ATOM 200 CG LEU A 14 -4.159 -5.035 -3.159 1.00 0.00 C ATOM 201 CD1 LEU A 14 -4.157 -5.965 -4.373 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.603 -4.734 -2.753 1.00 0.00 C ATOM 0 H LEU A 14 -1.138 -5.065 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.573 -3.721 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.549 -6.235 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.078 -6.454 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.650 -4.105 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.676 -5.483 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.129 -6.181 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.665 -6.895 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.122 -4.253 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.111 -5.664 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.607 -4.070 -1.889 1.00 0.00 H new ATOM 214 N PRO A 15 -2.798 -6.235 0.856 1.00 0.00 N ATOM 215 CA PRO A 15 -3.038 -6.750 2.223 1.00 0.00 C ATOM 216 C PRO A 15 -2.574 -5.726 3.262 1.00 0.00 C ATOM 217 O PRO A 15 -3.299 -5.381 4.175 1.00 0.00 O ATOM 218 CB PRO A 15 -2.168 -8.009 2.270 1.00 0.00 C ATOM 219 CG PRO A 15 -1.454 -8.167 0.914 1.00 0.00 C ATOM 220 CD PRO A 15 -1.920 -7.045 -0.024 1.00 0.00 C ATOM 0 HA PRO A 15 -4.088 -6.948 2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.437 -7.933 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.782 -8.885 2.478 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.373 -8.122 1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.680 -9.141 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.082 -6.463 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.459 -7.435 -0.887 1.00 0.00 H new ATOM 228 N LYS A 16 -1.371 -5.232 3.125 1.00 0.00 N ATOM 229 CA LYS A 16 -0.862 -4.228 4.103 1.00 0.00 C ATOM 230 C LYS A 16 -1.828 -3.044 4.185 1.00 0.00 C ATOM 231 O LYS A 16 -2.139 -2.556 5.252 1.00 0.00 O ATOM 232 CB LYS A 16 0.490 -3.781 3.545 1.00 0.00 C ATOM 233 CG LYS A 16 1.614 -4.548 4.245 1.00 0.00 C ATOM 234 CD LYS A 16 1.411 -6.051 4.046 1.00 0.00 C ATOM 235 CE LYS A 16 2.320 -6.820 5.007 1.00 0.00 C ATOM 236 NZ LYS A 16 3.507 -7.202 4.192 1.00 0.00 N ATOM 0 H LYS A 16 -0.721 -5.480 2.379 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.770 -4.637 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.528 -3.960 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.620 -2.709 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.580 -4.245 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.623 -4.310 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.369 -6.315 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.637 -6.326 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.608 -6.202 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.817 -7.700 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.177 -7.734 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.204 -7.795 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.970 -6.344 3.830 1.00 0.00 H new ATOM 250 N CYS A 17 -2.305 -2.581 3.063 1.00 0.00 N ATOM 251 CA CYS A 17 -3.254 -1.430 3.074 1.00 0.00 C ATOM 252 C CYS A 17 -4.640 -1.900 3.520 1.00 0.00 C ATOM 253 O CYS A 17 -5.341 -1.211 4.233 1.00 0.00 O ATOM 254 CB CYS A 17 -3.294 -0.936 1.629 1.00 0.00 C ATOM 255 SG CYS A 17 -2.025 0.331 1.390 1.00 0.00 S ATOM 0 H CYS A 17 -2.079 -2.949 2.139 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.946 -0.644 3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.127 -1.767 0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.278 -0.528 1.400 1.00 0.00 H new ATOM 260 N LYS A 18 -5.038 -3.071 3.104 1.00 0.00 N ATOM 261 CA LYS A 18 -6.377 -3.587 3.503 1.00 0.00 C ATOM 262 C LYS A 18 -6.511 -3.565 5.029 1.00 0.00 C ATOM 263 O LYS A 18 -7.594 -3.437 5.565 1.00 0.00 O ATOM 264 CB LYS A 18 -6.417 -5.024 2.974 1.00 0.00 C ATOM 265 CG LYS A 18 -7.501 -5.818 3.709 1.00 0.00 C ATOM 266 CD LYS A 18 -8.336 -6.599 2.692 1.00 0.00 C ATOM 267 CE LYS A 18 -9.744 -6.005 2.625 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.584 -6.909 3.458 1.00 0.00 N ATOM 0 H LYS A 18 -4.494 -3.692 2.505 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.194 -2.986 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.619 -5.021 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.447 -5.500 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.044 -6.503 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.139 -5.142 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.865 -6.557 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.386 -7.650 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.761 -4.985 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.107 -5.964 1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.566 -6.566 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.554 -7.871 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.219 -6.922 4.432 1.00 0.00 H new ATOM 282 N GLU A 19 -5.419 -3.687 5.732 1.00 0.00 N ATOM 283 CA GLU A 19 -5.486 -3.673 7.221 1.00 0.00 C ATOM 284 C GLU A 19 -5.062 -2.303 7.760 1.00 0.00 C ATOM 285 O GLU A 19 -5.355 -1.951 8.885 1.00 0.00 O ATOM 286 CB GLU A 19 -4.505 -4.753 7.675 1.00 0.00 C ATOM 287 CG GLU A 19 -4.593 -4.914 9.193 1.00 0.00 C ATOM 288 CD GLU A 19 -6.051 -5.134 9.601 1.00 0.00 C ATOM 289 OE1 GLU A 19 -6.473 -6.279 9.623 1.00 0.00 O ATOM 290 OE2 GLU A 19 -6.720 -4.154 9.884 1.00 0.00 O ATOM 0 H GLU A 19 -4.483 -3.796 5.340 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.495 -3.859 7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.735 -5.699 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.490 -4.482 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.983 -5.758 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.196 -4.027 9.687 1.00 0.00 H new ATOM 297 N ALA A 20 -4.372 -1.529 6.966 1.00 0.00 N ATOM 298 CA ALA A 20 -3.928 -0.185 7.436 1.00 0.00 C ATOM 299 C ALA A 20 -5.073 0.825 7.311 1.00 0.00 C ATOM 300 O ALA A 20 -5.393 1.533 8.246 1.00 0.00 O ATOM 301 CB ALA A 20 -2.771 0.199 6.514 1.00 0.00 C ATOM 0 H ALA A 20 -4.097 -1.769 6.014 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.626 -0.195 8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.390 1.180 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.974 -0.540 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.123 0.231 5.483 1.00 0.00 H new ATOM 307 N ILE A 21 -5.692 0.900 6.165 1.00 0.00 N ATOM 308 CA ILE A 21 -6.814 1.865 5.984 1.00 0.00 C ATOM 309 C ILE A 21 -8.154 1.124 5.965 1.00 0.00 C ATOM 310 O ILE A 21 -9.149 1.608 6.465 1.00 0.00 O ATOM 311 CB ILE A 21 -6.547 2.533 4.636 1.00 0.00 C ATOM 312 CG1 ILE A 21 -6.850 1.542 3.510 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.080 2.957 4.559 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.346 2.108 2.181 1.00 0.00 C ATOM 0 H ILE A 21 -5.470 0.335 5.346 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.869 2.592 6.794 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.185 3.411 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.370 0.585 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.922 1.355 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.889 3.434 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.862 3.661 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.442 2.079 4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.562 1.402 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.846 3.054 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.270 2.272 2.240 1.00 0.00 H new ATOM 326 N GLY A 22 -8.186 -0.050 5.393 1.00 0.00 N ATOM 327 CA GLY A 22 -9.462 -0.818 5.347 1.00 0.00 C ATOM 328 C GLY A 22 -9.982 -0.873 3.909 1.00 0.00 C ATOM 329 O GLY A 22 -11.151 -1.098 3.670 1.00 0.00 O ATOM 0 H GLY A 22 -7.386 -0.508 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.303 -1.828 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.203 -0.349 5.994 1.00 0.00 H new ATOM 333 N LYS A 23 -9.123 -0.673 2.948 1.00 0.00 N ATOM 334 CA LYS A 23 -9.573 -0.722 1.527 1.00 0.00 C ATOM 335 C LYS A 23 -8.691 -1.690 0.733 1.00 0.00 C ATOM 336 O LYS A 23 -8.334 -2.748 1.211 1.00 0.00 O ATOM 337 CB LYS A 23 -9.415 0.709 1.009 1.00 0.00 C ATOM 338 CG LYS A 23 -10.301 1.649 1.830 1.00 0.00 C ATOM 339 CD LYS A 23 -11.523 2.051 1.002 1.00 0.00 C ATOM 340 CE LYS A 23 -12.517 0.888 0.956 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.517 0.437 -0.464 1.00 0.00 N ATOM 0 H LYS A 23 -8.131 -0.478 3.084 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.600 -1.074 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.373 1.020 1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.691 0.759 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.617 1.157 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.738 2.536 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.997 2.931 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.217 2.321 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.214 0.083 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.511 1.206 1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.282 -0.253 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.666 1.255 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.603 -0.007 -0.687 1.00 0.00 H new ATOM 355 N ALA A 24 -8.336 -1.344 -0.474 1.00 0.00 N ATOM 356 CA ALA A 24 -7.480 -2.256 -1.283 1.00 0.00 C ATOM 357 C ALA A 24 -7.206 -1.642 -2.659 1.00 0.00 C ATOM 358 O ALA A 24 -7.389 -2.275 -3.680 1.00 0.00 O ATOM 359 CB ALA A 24 -8.297 -3.540 -1.420 1.00 0.00 C ATOM 0 H ALA A 24 -8.601 -0.473 -0.933 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.510 -2.436 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.735 -4.268 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.500 -3.949 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.239 -3.320 -1.922 1.00 0.00 H new ATOM 365 N ALA A 25 -6.767 -0.413 -2.694 1.00 0.00 N ATOM 366 CA ALA A 25 -6.482 0.239 -4.004 1.00 0.00 C ATOM 367 C ALA A 25 -5.196 1.067 -3.916 1.00 0.00 C ATOM 368 O ALA A 25 -5.193 2.175 -3.416 1.00 0.00 O ATOM 369 CB ALA A 25 -7.687 1.143 -4.267 1.00 0.00 C ATOM 0 H ALA A 25 -6.594 0.167 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.336 -0.487 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.553 1.660 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.593 0.539 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.775 1.875 -3.464 1.00 0.00 H new ATOM 375 N GLY A 26 -4.105 0.538 -4.399 1.00 0.00 N ATOM 376 CA GLY A 26 -2.820 1.292 -4.346 1.00 0.00 C ATOM 377 C GLY A 26 -1.682 0.392 -4.829 1.00 0.00 C ATOM 378 O GLY A 26 -1.899 -0.730 -5.240 1.00 0.00 O ATOM 0 H GLY A 26 -4.048 -0.385 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.883 2.184 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.625 1.629 -3.328 1.00 0.00 H new ATOM 382 N LYS A 27 -0.468 0.872 -4.785 1.00 0.00 N ATOM 383 CA LYS A 27 0.679 0.036 -5.243 1.00 0.00 C ATOM 384 C LYS A 27 1.914 0.299 -4.375 1.00 0.00 C ATOM 385 O LYS A 27 1.849 0.987 -3.377 1.00 0.00 O ATOM 386 CB LYS A 27 0.936 0.474 -6.686 1.00 0.00 C ATOM 387 CG LYS A 27 -0.391 0.538 -7.448 1.00 0.00 C ATOM 388 CD LYS A 27 -0.131 0.358 -8.945 1.00 0.00 C ATOM 389 CE LYS A 27 0.541 1.615 -9.504 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.425 2.717 -9.238 1.00 0.00 N ATOM 0 H LYS A 27 -0.221 1.804 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 27 0.464 -1.030 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.422 1.450 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.614 -0.226 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.066 -0.239 -7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.881 1.494 -7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.505 -0.511 -9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.069 0.172 -9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.498 1.802 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.742 1.515 -10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.451 3.360 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.372 2.318 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.127 3.243 -8.392 1.00 0.00 H new ATOM 404 N CYS A 28 3.040 -0.246 -4.754 1.00 0.00 N ATOM 405 CA CYS A 28 4.283 -0.032 -3.956 1.00 0.00 C ATOM 406 C CYS A 28 5.148 1.050 -4.615 1.00 0.00 C ATOM 407 O CYS A 28 5.010 1.336 -5.788 1.00 0.00 O ATOM 408 CB CYS A 28 4.995 -1.389 -3.974 1.00 0.00 C ATOM 409 SG CYS A 28 6.728 -1.186 -3.487 1.00 0.00 S ATOM 0 H CYS A 28 3.153 -0.830 -5.582 1.00 0.00 H new ATOM 0 HA CYS A 28 4.079 0.305 -2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.496 -2.080 -3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.938 -1.826 -4.971 1.00 0.00 H new ATOM 414 N MET A 29 6.036 1.659 -3.872 1.00 0.00 N ATOM 415 CA MET A 29 6.895 2.723 -4.470 1.00 0.00 C ATOM 416 C MET A 29 8.293 2.721 -3.844 1.00 0.00 C ATOM 417 O MET A 29 8.510 3.271 -2.783 1.00 0.00 O ATOM 418 CB MET A 29 6.179 4.036 -4.154 1.00 0.00 C ATOM 419 CG MET A 29 6.539 5.081 -5.212 1.00 0.00 C ATOM 420 SD MET A 29 7.550 6.378 -4.457 1.00 0.00 S ATOM 421 CE MET A 29 6.402 7.749 -4.735 1.00 0.00 C ATOM 0 H MET A 29 6.202 1.467 -2.884 1.00 0.00 H new ATOM 0 HA MET A 29 7.033 2.570 -5.540 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.101 3.879 -4.135 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.467 4.391 -3.164 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.083 4.612 -6.032 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.632 5.512 -5.636 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.832 8.669 -4.339 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.223 7.863 -5.804 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.459 7.542 -4.229 1.00 0.00 H new ATOM 431 N ASN A 30 9.245 2.117 -4.502 1.00 0.00 N ATOM 432 CA ASN A 30 10.633 2.092 -3.954 1.00 0.00 C ATOM 433 C ASN A 30 10.634 1.591 -2.509 1.00 0.00 C ATOM 434 O ASN A 30 11.477 1.963 -1.717 1.00 0.00 O ATOM 435 CB ASN A 30 11.104 3.546 -4.015 1.00 0.00 C ATOM 436 CG ASN A 30 12.559 3.633 -3.552 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.904 4.473 -2.744 1.00 0.00 O ATOM 438 ND2 ASN A 30 13.437 2.795 -4.033 1.00 0.00 N ATOM 0 H ASN A 30 9.123 1.640 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 30 11.283 1.422 -4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.012 3.926 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.473 4.170 -3.383 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.410 2.846 -3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.150 2.089 -4.711 1.00 0.00 H new ATOM 445 N GLY A 31 9.703 0.748 -2.159 1.00 0.00 N ATOM 446 CA GLY A 31 9.664 0.225 -0.762 1.00 0.00 C ATOM 447 C GLY A 31 8.595 0.969 0.042 1.00 0.00 C ATOM 448 O GLY A 31 8.613 0.978 1.257 1.00 0.00 O ATOM 0 H GLY A 31 8.970 0.399 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.448 -0.843 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.639 0.349 -0.290 1.00 0.00 H new ATOM 452 N LYS A 32 7.660 1.590 -0.624 1.00 0.00 N ATOM 453 CA LYS A 32 6.587 2.325 0.105 1.00 0.00 C ATOM 454 C LYS A 32 5.216 1.935 -0.457 1.00 0.00 C ATOM 455 O LYS A 32 5.116 1.356 -1.520 1.00 0.00 O ATOM 456 CB LYS A 32 6.879 3.805 -0.143 1.00 0.00 C ATOM 457 CG LYS A 32 8.271 4.143 0.396 1.00 0.00 C ATOM 458 CD LYS A 32 9.069 4.888 -0.677 1.00 0.00 C ATOM 459 CE LYS A 32 9.476 6.264 -0.148 1.00 0.00 C ATOM 460 NZ LYS A 32 10.958 6.204 -0.016 1.00 0.00 N ATOM 0 H LYS A 32 7.593 1.620 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 32 6.570 2.094 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.826 4.024 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.127 4.423 0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.186 4.757 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.793 3.230 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.955 4.315 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.470 4.997 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.173 7.056 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.003 6.474 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.312 7.114 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.217 5.446 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.382 6.010 -0.946 1.00 0.00 H new ATOM 474 N CYS A 33 4.160 2.234 0.248 1.00 0.00 N ATOM 475 CA CYS A 33 2.807 1.855 -0.253 1.00 0.00 C ATOM 476 C CYS A 33 1.984 3.094 -0.626 1.00 0.00 C ATOM 477 O CYS A 33 1.882 4.041 0.132 1.00 0.00 O ATOM 478 CB CYS A 33 2.152 1.109 0.909 1.00 0.00 C ATOM 479 SG CYS A 33 0.973 -0.100 0.259 1.00 0.00 S ATOM 0 H CYS A 33 4.174 2.721 1.144 1.00 0.00 H new ATOM 0 HA CYS A 33 2.869 1.247 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.912 0.607 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.642 1.813 1.567 1.00 0.00 H new ATOM 484 N LYS A 34 1.385 3.077 -1.789 1.00 0.00 N ATOM 485 CA LYS A 34 0.548 4.235 -2.229 1.00 0.00 C ATOM 486 C LYS A 34 -0.919 3.801 -2.312 1.00 0.00 C ATOM 487 O LYS A 34 -1.363 3.291 -3.323 1.00 0.00 O ATOM 488 CB LYS A 34 1.044 4.626 -3.632 1.00 0.00 C ATOM 489 CG LYS A 34 2.533 4.303 -3.810 1.00 0.00 C ATOM 490 CD LYS A 34 2.886 4.381 -5.298 1.00 0.00 C ATOM 491 CE LYS A 34 3.026 5.846 -5.717 1.00 0.00 C ATOM 492 NZ LYS A 34 1.887 6.089 -6.644 1.00 0.00 N ATOM 0 H LYS A 34 1.440 2.307 -2.456 1.00 0.00 H new ATOM 0 HA LYS A 34 0.626 5.069 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.463 4.095 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.879 5.691 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.141 5.006 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.751 3.308 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.817 3.847 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.112 3.895 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.981 6.510 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.982 6.027 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.914 7.074 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.960 5.447 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.991 5.916 -6.146 1.00 0.00 H new ATOM 506 N CYS A 35 -1.676 3.989 -1.267 1.00 0.00 N ATOM 507 CA CYS A 35 -3.108 3.571 -1.312 1.00 0.00 C ATOM 508 C CYS A 35 -4.031 4.787 -1.188 1.00 0.00 C ATOM 509 O CYS A 35 -3.613 5.861 -0.803 1.00 0.00 O ATOM 510 CB CYS A 35 -3.284 2.632 -0.118 1.00 0.00 C ATOM 511 SG CYS A 35 -2.414 1.079 -0.446 1.00 0.00 S ATOM 0 H CYS A 35 -1.370 4.410 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.363 3.085 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.892 3.098 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.343 2.440 0.055 1.00 0.00 H new ATOM 516 N TYR A 36 -5.285 4.624 -1.516 1.00 0.00 N ATOM 517 CA TYR A 36 -6.239 5.767 -1.426 1.00 0.00 C ATOM 518 C TYR A 36 -7.108 5.638 -0.168 1.00 0.00 C ATOM 519 O TYR A 36 -7.297 4.551 0.341 1.00 0.00 O ATOM 520 CB TYR A 36 -7.103 5.658 -2.682 1.00 0.00 C ATOM 521 CG TYR A 36 -6.597 6.617 -3.731 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.231 6.910 -3.811 1.00 0.00 C ATOM 523 CD2 TYR A 36 -7.495 7.213 -4.624 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.762 7.800 -4.785 1.00 0.00 C ATOM 525 CE2 TYR A 36 -7.027 8.102 -5.598 1.00 0.00 C ATOM 526 CZ TYR A 36 -5.660 8.396 -5.678 1.00 0.00 C ATOM 527 OH TYR A 36 -5.197 9.271 -6.638 1.00 0.00 O ATOM 0 H TYR A 36 -5.690 3.747 -1.843 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.727 6.727 -1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.078 4.638 -3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.142 5.882 -2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.539 6.450 -3.122 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.549 6.987 -4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.708 8.026 -4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.720 8.561 -6.288 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.949 9.594 -7.176 1.00 0.00 H new ATOM 537 N PRO A 37 -7.613 6.756 0.293 1.00 0.00 N ATOM 538 CA PRO A 37 -8.472 6.766 1.501 1.00 0.00 C ATOM 539 C PRO A 37 -9.740 5.941 1.263 1.00 0.00 C ATOM 540 O PRO A 37 -10.535 6.340 0.427 1.00 0.00 O ATOM 541 CB PRO A 37 -8.807 8.252 1.664 1.00 0.00 C ATOM 542 CG PRO A 37 -8.126 9.042 0.531 1.00 0.00 C ATOM 543 CD PRO A 37 -7.354 8.061 -0.361 1.00 0.00 C ATOM 544 OXT PRO A 37 -9.896 4.925 1.922 1.00 0.00 O ATOM 0 HA PRO A 37 -7.996 6.334 2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.886 8.401 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.464 8.612 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.871 9.579 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.448 9.788 0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.715 8.078 -1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.290 8.294 -0.393 1.00 0.00 H new