USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 240 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 GLN : amide:sc= -5.94! C(o=-6.6!,f=-6.2!) USER MOD Set 1.2: A 32 HIS : no HD1:sc= -0.674 K(o=-6.6,f=-7.8) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.07) USER MOD Single : A 15 ASN : amide:sc=-0.00639 K(o=-0.0064,f=-0.75) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 56:sc= 1.33 USER MOD Single : A 23 ASN : amide:sc= -1.37! C(o=-1.4!,f=-9.8!) USER MOD Single : A 24 HIS : no HD1:sc= 0.704 K(o=0.7,f=-3.5!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.585 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0173 USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -7.708 -9.321 -10.057 1.00 0.00 N ATOM 50 CA LEU A 5 -7.181 -9.134 -8.720 1.00 0.00 C ATOM 51 C LEU A 5 -7.560 -10.329 -7.853 1.00 0.00 C ATOM 52 O LEU A 5 -8.745 -10.592 -7.639 1.00 0.00 O ATOM 53 CB LEU A 5 -7.740 -7.848 -8.109 1.00 0.00 C ATOM 54 CG LEU A 5 -6.914 -7.256 -6.969 1.00 0.00 C ATOM 55 CD1 LEU A 5 -5.735 -6.468 -7.519 1.00 0.00 C ATOM 56 CD2 LEU A 5 -7.789 -6.371 -6.093 1.00 0.00 C ATOM 0 HA LEU A 5 -6.095 -9.054 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.831 -7.100 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.747 -8.047 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.524 -8.071 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.157 -6.053 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.100 -7.128 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.101 -5.657 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.190 -5.954 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.202 -5.560 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.602 -6.964 -5.674 1.00 0.00 H new ATOM 68 N PRO A 6 -6.564 -11.073 -7.361 1.00 0.00 N ATOM 69 CA PRO A 6 -6.794 -12.283 -6.564 1.00 0.00 C ATOM 70 C PRO A 6 -7.562 -11.996 -5.270 1.00 0.00 C ATOM 71 O PRO A 6 -7.459 -10.909 -4.701 1.00 0.00 O ATOM 72 CB PRO A 6 -5.379 -12.793 -6.252 1.00 0.00 C ATOM 73 CG PRO A 6 -4.495 -12.128 -7.251 1.00 0.00 C ATOM 74 CD PRO A 6 -5.130 -10.800 -7.543 1.00 0.00 C ATOM 0 HA PRO A 6 -7.407 -13.007 -7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.084 -12.538 -5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.324 -13.878 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.487 -12.001 -6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.409 -12.728 -8.157 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.777 -10.025 -6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.909 -10.460 -8.555 1.00 0.00 H new ATOM 82 N PRO A 7 -8.354 -12.973 -4.800 1.00 0.00 N ATOM 83 CA PRO A 7 -9.152 -12.837 -3.578 1.00 0.00 C ATOM 84 C PRO A 7 -8.279 -12.626 -2.347 1.00 0.00 C ATOM 85 O PRO A 7 -7.289 -13.332 -2.146 1.00 0.00 O ATOM 86 CB PRO A 7 -9.909 -14.167 -3.482 1.00 0.00 C ATOM 87 CG PRO A 7 -9.839 -14.751 -4.851 1.00 0.00 C ATOM 88 CD PRO A 7 -8.534 -14.288 -5.424 1.00 0.00 C ATOM 0 HA PRO A 7 -9.811 -11.969 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.452 -14.829 -2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.942 -14.011 -3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.887 -15.839 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.676 -14.415 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.719 -14.968 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.571 -14.218 -6.511 1.00 0.00 H new ATOM 96 N GLY A 8 -8.640 -11.645 -1.537 1.00 0.00 N ATOM 97 CA GLY A 8 -7.853 -11.322 -0.365 1.00 0.00 C ATOM 98 C GLY A 8 -7.154 -9.996 -0.532 1.00 0.00 C ATOM 99 O GLY A 8 -6.787 -9.350 0.447 1.00 0.00 O ATOM 0 H GLY A 8 -9.467 -11.064 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.498 -11.289 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.116 -12.106 -0.190 1.00 0.00 H new ATOM 103 N TRP A 9 -6.973 -9.595 -1.782 1.00 0.00 N ATOM 104 CA TRP A 9 -6.381 -8.306 -2.094 1.00 0.00 C ATOM 105 C TRP A 9 -7.443 -7.221 -2.011 1.00 0.00 C ATOM 106 O TRP A 9 -8.408 -7.225 -2.780 1.00 0.00 O ATOM 107 CB TRP A 9 -5.762 -8.327 -3.491 1.00 0.00 C ATOM 108 CG TRP A 9 -4.495 -9.121 -3.566 1.00 0.00 C ATOM 109 CD1 TRP A 9 -4.366 -10.428 -3.931 1.00 0.00 C ATOM 110 CD2 TRP A 9 -3.182 -8.655 -3.264 1.00 0.00 C ATOM 111 NE1 TRP A 9 -3.045 -10.802 -3.878 1.00 0.00 N ATOM 112 CE2 TRP A 9 -2.299 -9.730 -3.468 1.00 0.00 C ATOM 113 CE3 TRP A 9 -2.667 -7.430 -2.843 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -0.928 -9.614 -3.263 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.309 -7.317 -2.637 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.451 -8.402 -2.847 1.00 0.00 C ATOM 0 H TRP A 9 -7.230 -10.148 -2.599 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.594 -8.095 -1.370 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.484 -8.741 -4.195 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.560 -7.303 -3.807 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.182 -11.074 -4.219 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.680 -11.727 -4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.320 -6.585 -2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.265 -10.451 -3.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.900 -6.374 -2.307 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.609 -8.280 -2.677 1.00 0.00 H new ATOM 127 N GLU A 10 -7.275 -6.309 -1.070 1.00 0.00 N ATOM 128 CA GLU A 10 -8.243 -5.250 -0.862 1.00 0.00 C ATOM 129 C GLU A 10 -7.763 -3.944 -1.476 1.00 0.00 C ATOM 130 O GLU A 10 -6.586 -3.596 -1.377 1.00 0.00 O ATOM 131 CB GLU A 10 -8.500 -5.059 0.627 1.00 0.00 C ATOM 132 CG GLU A 10 -9.971 -5.025 0.990 1.00 0.00 C ATOM 133 CD GLU A 10 -10.198 -4.844 2.472 1.00 0.00 C ATOM 134 OE1 GLU A 10 -9.273 -4.371 3.169 1.00 0.00 O ATOM 135 OE2 GLU A 10 -11.295 -5.184 2.955 1.00 0.00 O ATOM 0 H GLU A 10 -6.475 -6.282 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.172 -5.539 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.017 -5.867 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.033 -4.129 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.456 -4.212 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.444 -5.951 0.664 1.00 0.00 H new ATOM 142 N GLU A 11 -8.686 -3.235 -2.109 1.00 0.00 N ATOM 143 CA GLU A 11 -8.393 -1.951 -2.724 1.00 0.00 C ATOM 144 C GLU A 11 -8.589 -0.828 -1.715 1.00 0.00 C ATOM 145 O GLU A 11 -9.713 -0.558 -1.288 1.00 0.00 O ATOM 146 CB GLU A 11 -9.306 -1.727 -3.929 1.00 0.00 C ATOM 147 CG GLU A 11 -8.651 -0.976 -5.072 1.00 0.00 C ATOM 148 CD GLU A 11 -9.225 -1.369 -6.416 1.00 0.00 C ATOM 149 OE1 GLU A 11 -10.123 -2.241 -6.452 1.00 0.00 O ATOM 150 OE2 GLU A 11 -8.790 -0.809 -7.443 1.00 0.00 O ATOM 0 H GLU A 11 -9.656 -3.533 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.355 -1.952 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.651 -2.694 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.189 -1.176 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.781 0.096 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.579 -1.171 -5.066 1.00 0.00 H new ATOM 157 N LYS A 12 -7.502 -0.187 -1.329 1.00 0.00 N ATOM 158 CA LYS A 12 -7.562 0.899 -0.365 1.00 0.00 C ATOM 159 C LYS A 12 -6.767 2.090 -0.872 1.00 0.00 C ATOM 160 O LYS A 12 -5.778 1.926 -1.583 1.00 0.00 O ATOM 161 CB LYS A 12 -7.020 0.441 0.989 1.00 0.00 C ATOM 162 CG LYS A 12 -8.030 -0.328 1.825 1.00 0.00 C ATOM 163 CD LYS A 12 -7.353 -1.392 2.669 1.00 0.00 C ATOM 164 CE LYS A 12 -7.811 -1.338 4.118 1.00 0.00 C ATOM 165 NZ LYS A 12 -9.145 -1.968 4.305 1.00 0.00 N ATOM 0 H LYS A 12 -6.564 -0.399 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.603 1.197 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.144 -0.187 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.687 1.314 1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.570 0.363 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.767 -0.794 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.570 -2.377 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.272 -1.259 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.080 -1.844 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.851 -0.300 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.345 -2.063 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.875 -1.374 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.150 -2.909 3.862 1.00 0.00 H new ATOM 179 N VAL A 13 -7.199 3.285 -0.517 1.00 0.00 N ATOM 180 CA VAL A 13 -6.512 4.491 -0.942 1.00 0.00 C ATOM 181 C VAL A 13 -5.816 5.147 0.244 1.00 0.00 C ATOM 182 O VAL A 13 -6.411 5.320 1.311 1.00 0.00 O ATOM 183 CB VAL A 13 -7.491 5.486 -1.624 1.00 0.00 C ATOM 184 CG1 VAL A 13 -7.241 6.925 -1.193 1.00 0.00 C ATOM 185 CG2 VAL A 13 -7.387 5.369 -3.134 1.00 0.00 C ATOM 0 H VAL A 13 -8.022 3.447 0.064 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.759 4.211 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.499 5.220 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.949 7.584 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.370 7.009 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.224 7.214 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.077 6.071 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.369 5.598 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.640 4.353 -3.439 1.00 0.00 H new ATOM 195 N ASP A 14 -4.539 5.460 0.073 1.00 0.00 N ATOM 196 CA ASP A 14 -3.805 6.223 1.072 1.00 0.00 C ATOM 197 C ASP A 14 -3.896 7.707 0.738 1.00 0.00 C ATOM 198 O ASP A 14 -4.196 8.064 -0.404 1.00 0.00 O ATOM 199 CB ASP A 14 -2.341 5.783 1.126 1.00 0.00 C ATOM 200 CG ASP A 14 -1.552 6.484 2.218 1.00 0.00 C ATOM 201 OD1 ASP A 14 -1.998 6.465 3.387 1.00 0.00 O ATOM 202 OD2 ASP A 14 -0.482 7.059 1.914 1.00 0.00 O ATOM 0 H ASP A 14 -3.991 5.198 -0.746 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.247 6.041 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.297 4.706 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.872 5.981 0.162 1.00 0.00 H new ATOM 207 N ASN A 15 -3.639 8.559 1.727 1.00 0.00 N ATOM 208 CA ASN A 15 -3.728 10.007 1.550 1.00 0.00 C ATOM 209 C ASN A 15 -2.957 10.461 0.315 1.00 0.00 C ATOM 210 O ASN A 15 -1.807 10.073 0.119 1.00 0.00 O ATOM 211 CB ASN A 15 -3.194 10.733 2.786 1.00 0.00 C ATOM 212 CG ASN A 15 -3.533 12.214 2.787 1.00 0.00 C ATOM 213 OD1 ASN A 15 -4.589 12.630 2.308 1.00 0.00 O ATOM 214 ND2 ASN A 15 -2.634 13.024 3.319 1.00 0.00 N ATOM 0 H ASN A 15 -3.365 8.269 2.666 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.780 10.258 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.607 10.269 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.112 10.612 2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.804 14.030 3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.771 12.644 3.706 1.00 0.00 H new ATOM 221 N LEU A 16 -3.652 11.236 -0.527 1.00 0.00 N ATOM 222 CA LEU A 16 -3.111 11.845 -1.752 1.00 0.00 C ATOM 223 C LEU A 16 -3.409 10.967 -2.957 1.00 0.00 C ATOM 224 O LEU A 16 -2.948 11.236 -4.070 1.00 0.00 O ATOM 225 CB LEU A 16 -1.609 12.145 -1.665 1.00 0.00 C ATOM 226 CG LEU A 16 -1.236 13.393 -0.854 1.00 0.00 C ATOM 227 CD1 LEU A 16 0.146 13.885 -1.238 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.259 14.501 -1.055 1.00 0.00 C ATOM 0 H LEU A 16 -4.634 11.464 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.612 12.806 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.108 11.283 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.219 12.259 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.231 13.117 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.393 14.771 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.879 13.103 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.161 14.136 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.970 15.374 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.301 14.770 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.240 14.154 -0.730 1.00 0.00 H new ATOM 240 N GLY A 17 -4.187 9.919 -2.730 1.00 0.00 N ATOM 241 CA GLY A 17 -4.666 9.103 -3.822 1.00 0.00 C ATOM 242 C GLY A 17 -3.699 8.010 -4.217 1.00 0.00 C ATOM 243 O GLY A 17 -3.531 7.723 -5.405 1.00 0.00 O ATOM 0 H GLY A 17 -4.495 9.620 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.618 8.653 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.858 9.739 -4.686 1.00 0.00 H new ATOM 247 N ARG A 18 -3.043 7.408 -3.234 1.00 0.00 N ATOM 248 CA ARG A 18 -2.211 6.243 -3.512 1.00 0.00 C ATOM 249 C ARG A 18 -3.045 4.983 -3.360 1.00 0.00 C ATOM 250 O ARG A 18 -3.164 4.428 -2.267 1.00 0.00 O ATOM 251 CB ARG A 18 -0.969 6.167 -2.609 1.00 0.00 C ATOM 252 CG ARG A 18 -0.832 7.318 -1.637 1.00 0.00 C ATOM 253 CD ARG A 18 0.627 7.648 -1.394 1.00 0.00 C ATOM 254 NE ARG A 18 0.801 8.536 -0.256 1.00 0.00 N ATOM 255 CZ ARG A 18 1.409 9.721 -0.322 1.00 0.00 C ATOM 256 NH1 ARG A 18 1.957 10.127 -1.463 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.481 10.489 0.758 1.00 0.00 N ATOM 0 H ARG A 18 -3.068 7.698 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.848 6.337 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.000 5.234 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.079 6.130 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.347 8.195 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.313 7.062 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.184 6.727 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.047 8.114 -2.285 1.00 0.00 H new ATOM 0 HE ARG A 18 0.436 8.234 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.913 9.532 -2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.422 11.034 -1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.072 10.173 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.946 11.396 0.709 1.00 0.00 H new ATOM 271 N THR A 19 -3.664 4.573 -4.455 1.00 0.00 N ATOM 272 CA THR A 19 -4.481 3.376 -4.469 1.00 0.00 C ATOM 273 C THR A 19 -3.610 2.141 -4.329 1.00 0.00 C ATOM 274 O THR A 19 -2.921 1.743 -5.273 1.00 0.00 O ATOM 275 CB THR A 19 -5.292 3.274 -5.769 1.00 0.00 C ATOM 276 OG1 THR A 19 -5.408 4.570 -6.372 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.674 2.701 -5.499 1.00 0.00 C ATOM 0 H THR A 19 -3.614 5.058 -5.351 1.00 0.00 H new ATOM 0 HA THR A 19 -5.170 3.437 -3.627 1.00 0.00 H new ATOM 0 HB THR A 19 -4.770 2.603 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.925 4.500 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.231 2.638 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.577 1.705 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.207 3.349 -4.803 1.00 0.00 H new ATOM 285 N TYR A 20 -3.624 1.548 -3.154 1.00 0.00 N ATOM 286 CA TYR A 20 -2.798 0.396 -2.894 1.00 0.00 C ATOM 287 C TYR A 20 -3.647 -0.847 -2.705 1.00 0.00 C ATOM 288 O TYR A 20 -4.871 -0.774 -2.553 1.00 0.00 O ATOM 289 CB TYR A 20 -1.882 0.631 -1.686 1.00 0.00 C ATOM 290 CG TYR A 20 -2.586 0.773 -0.352 1.00 0.00 C ATOM 291 CD1 TYR A 20 -3.040 2.009 0.098 1.00 0.00 C ATOM 292 CD2 TYR A 20 -2.775 -0.332 0.469 1.00 0.00 C ATOM 293 CE1 TYR A 20 -3.663 2.137 1.324 1.00 0.00 C ATOM 294 CE2 TYR A 20 -3.402 -0.213 1.693 1.00 0.00 C ATOM 295 CZ TYR A 20 -3.843 1.024 2.116 1.00 0.00 C ATOM 296 OH TYR A 20 -4.465 1.152 3.341 1.00 0.00 O ATOM 0 H TYR A 20 -4.199 1.847 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.161 0.238 -3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.178 -0.198 -1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.296 1.533 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.903 2.883 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.425 -1.301 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.007 3.104 1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.547 -1.083 2.316 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.515 0.275 3.775 1.00 0.00 H new ATOM 306 N TYR A 21 -2.984 -1.981 -2.714 1.00 0.00 N ATOM 307 CA TYR A 21 -3.649 -3.260 -2.619 1.00 0.00 C ATOM 308 C TYR A 21 -3.049 -4.046 -1.474 1.00 0.00 C ATOM 309 O TYR A 21 -1.850 -4.334 -1.466 1.00 0.00 O ATOM 310 CB TYR A 21 -3.517 -4.033 -3.934 1.00 0.00 C ATOM 311 CG TYR A 21 -4.279 -3.410 -5.087 1.00 0.00 C ATOM 312 CD1 TYR A 21 -5.638 -3.647 -5.248 1.00 0.00 C ATOM 313 CD2 TYR A 21 -3.648 -2.582 -6.016 1.00 0.00 C ATOM 314 CE1 TYR A 21 -6.343 -3.087 -6.293 1.00 0.00 C ATOM 315 CE2 TYR A 21 -4.353 -2.019 -7.063 1.00 0.00 C ATOM 316 CZ TYR A 21 -5.698 -2.276 -7.196 1.00 0.00 C ATOM 317 OH TYR A 21 -6.404 -1.719 -8.238 1.00 0.00 O ATOM 0 H TYR A 21 -1.968 -2.042 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.711 -3.103 -2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.462 -4.100 -4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.873 -5.052 -3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.152 -4.282 -4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.592 -2.378 -5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.399 -3.285 -6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.850 -1.380 -7.774 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.159 -1.205 -7.884 1.00 0.00 H new ATOM 327 N VAL A 22 -3.873 -4.363 -0.496 1.00 0.00 N ATOM 328 CA VAL A 22 -3.401 -5.066 0.678 1.00 0.00 C ATOM 329 C VAL A 22 -3.881 -6.511 0.678 1.00 0.00 C ATOM 330 O VAL A 22 -5.080 -6.787 0.765 1.00 0.00 O ATOM 331 CB VAL A 22 -3.826 -4.356 1.987 1.00 0.00 C ATOM 332 CG1 VAL A 22 -5.314 -4.042 1.984 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.457 -5.192 3.206 1.00 0.00 C ATOM 0 H VAL A 22 -4.870 -4.146 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.312 -5.060 0.637 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.282 -3.413 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.583 -3.544 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.546 -3.389 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.881 -4.968 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.766 -4.671 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.962 -6.157 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.378 -5.348 3.227 1.00 0.00 H new ATOM 343 N ASN A 23 -2.936 -7.428 0.541 1.00 0.00 N ATOM 344 CA ASN A 23 -3.230 -8.847 0.648 1.00 0.00 C ATOM 345 C ASN A 23 -3.575 -9.174 2.092 1.00 0.00 C ATOM 346 O ASN A 23 -2.735 -9.047 2.976 1.00 0.00 O ATOM 347 CB ASN A 23 -2.032 -9.684 0.191 1.00 0.00 C ATOM 348 CG ASN A 23 -2.332 -11.176 0.129 1.00 0.00 C ATOM 349 OD1 ASN A 23 -3.369 -11.641 0.601 1.00 0.00 O ATOM 350 ND2 ASN A 23 -1.416 -11.937 -0.447 1.00 0.00 N ATOM 0 H ASN A 23 -1.956 -7.213 0.355 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.076 -9.087 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.713 -9.343 -0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.198 -9.516 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.557 -12.945 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.568 -11.516 -0.827 1.00 0.00 H new ATOM 357 N HIS A 24 -4.807 -9.591 2.329 1.00 0.00 N ATOM 358 CA HIS A 24 -5.285 -9.841 3.685 1.00 0.00 C ATOM 359 C HIS A 24 -4.615 -11.059 4.311 1.00 0.00 C ATOM 360 O HIS A 24 -4.769 -11.312 5.503 1.00 0.00 O ATOM 361 CB HIS A 24 -6.799 -10.027 3.688 1.00 0.00 C ATOM 362 CG HIS A 24 -7.548 -8.761 3.946 1.00 0.00 C ATOM 363 ND1 HIS A 24 -8.804 -8.733 4.499 1.00 0.00 N ATOM 364 CD2 HIS A 24 -7.210 -7.469 3.717 1.00 0.00 C ATOM 365 CE1 HIS A 24 -9.212 -7.484 4.598 1.00 0.00 C ATOM 366 NE2 HIS A 24 -8.264 -6.692 4.132 1.00 0.00 N ATOM 0 H HIS A 24 -5.499 -9.765 1.600 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.023 -8.970 4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.110 -10.436 2.727 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.067 -10.761 4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.284 -7.116 3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.164 -7.162 4.994 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.307 -5.674 4.088 1.00 0.00 H new ATOM 375 N ASN A 25 -3.876 -11.806 3.505 1.00 0.00 N ATOM 376 CA ASN A 25 -3.201 -13.002 3.985 1.00 0.00 C ATOM 377 C ASN A 25 -2.046 -12.634 4.913 1.00 0.00 C ATOM 378 O ASN A 25 -2.080 -12.924 6.106 1.00 0.00 O ATOM 379 CB ASN A 25 -2.678 -13.812 2.804 1.00 0.00 C ATOM 380 CG ASN A 25 -3.318 -15.177 2.719 1.00 0.00 C ATOM 381 OD1 ASN A 25 -2.848 -16.145 3.319 1.00 0.00 O ATOM 382 ND2 ASN A 25 -4.408 -15.258 1.976 1.00 0.00 N ATOM 0 H ASN A 25 -3.729 -11.605 2.516 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.918 -13.602 4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.867 -13.266 1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.597 -13.924 2.893 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.896 -16.149 1.882 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.761 -14.430 1.497 1.00 0.00 H new ATOM 389 N ASN A 26 -1.036 -11.973 4.362 1.00 0.00 N ATOM 390 CA ASN A 26 0.143 -11.598 5.135 1.00 0.00 C ATOM 391 C ASN A 26 0.213 -10.083 5.311 1.00 0.00 C ATOM 392 O ASN A 26 1.214 -9.544 5.789 1.00 0.00 O ATOM 393 CB ASN A 26 1.411 -12.110 4.445 1.00 0.00 C ATOM 394 CG ASN A 26 2.476 -12.557 5.432 1.00 0.00 C ATOM 395 OD1 ASN A 26 3.452 -11.845 5.670 1.00 0.00 O ATOM 396 ND2 ASN A 26 2.303 -13.739 6.003 1.00 0.00 N ATOM 0 H ASN A 26 -1.009 -11.685 3.384 1.00 0.00 H new ATOM 0 HA ASN A 26 0.068 -12.055 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.153 -12.944 3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.817 -11.323 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.993 -14.090 6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.480 -14.298 5.779 1.00 0.00 H new ATOM 403 N ARG A 27 -0.878 -9.416 4.936 1.00 0.00 N ATOM 404 CA ARG A 27 -0.994 -7.957 4.997 1.00 0.00 C ATOM 405 C ARG A 27 0.095 -7.271 4.175 1.00 0.00 C ATOM 406 O ARG A 27 0.810 -6.398 4.669 1.00 0.00 O ATOM 407 CB ARG A 27 -0.977 -7.449 6.441 1.00 0.00 C ATOM 408 CG ARG A 27 -2.076 -8.033 7.310 1.00 0.00 C ATOM 409 CD ARG A 27 -3.005 -6.947 7.827 1.00 0.00 C ATOM 410 NE ARG A 27 -4.408 -7.339 7.729 1.00 0.00 N ATOM 411 CZ ARG A 27 -5.420 -6.484 7.637 1.00 0.00 C ATOM 412 NH1 ARG A 27 -5.198 -5.173 7.630 1.00 0.00 N ATOM 413 NH2 ARG A 27 -6.661 -6.946 7.556 1.00 0.00 N ATOM 0 H ARG A 27 -1.715 -9.876 4.578 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.959 -7.699 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.011 -7.684 6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.070 -6.363 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.648 -8.762 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.633 -8.567 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.762 -6.725 8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.844 -6.031 7.259 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.625 -8.336 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.244 -4.817 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.981 -4.523 7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.832 -7.951 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.444 -6.296 7.485 1.00 0.00 H new ATOM 427 N SER A 28 0.214 -7.676 2.922 1.00 0.00 N ATOM 428 CA SER A 28 1.142 -7.047 1.997 1.00 0.00 C ATOM 429 C SER A 28 0.546 -5.744 1.478 1.00 0.00 C ATOM 430 O SER A 28 -0.422 -5.759 0.722 1.00 0.00 O ATOM 431 CB SER A 28 1.433 -7.999 0.838 1.00 0.00 C ATOM 432 OG SER A 28 1.073 -9.328 1.180 1.00 0.00 O ATOM 0 H SER A 28 -0.325 -8.443 2.520 1.00 0.00 H new ATOM 0 HA SER A 28 2.076 -6.823 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.880 -7.683 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.492 -7.958 0.584 1.00 0.00 H new ATOM 0 HG SER A 28 1.265 -9.923 0.426 1.00 0.00 H new ATOM 438 N THR A 29 1.116 -4.623 1.896 1.00 0.00 N ATOM 439 CA THR A 29 0.580 -3.320 1.541 1.00 0.00 C ATOM 440 C THR A 29 1.433 -2.636 0.475 1.00 0.00 C ATOM 441 O THR A 29 2.289 -1.804 0.781 1.00 0.00 O ATOM 442 CB THR A 29 0.486 -2.409 2.778 1.00 0.00 C ATOM 443 OG1 THR A 29 1.498 -2.772 3.733 1.00 0.00 O ATOM 444 CG2 THR A 29 -0.885 -2.509 3.426 1.00 0.00 C ATOM 0 H THR A 29 1.950 -4.591 2.482 1.00 0.00 H new ATOM 0 HA THR A 29 -0.419 -3.485 1.137 1.00 0.00 H new ATOM 0 HB THR A 29 0.641 -1.380 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.433 -2.187 4.517 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.924 -1.855 4.297 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.649 -2.205 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.067 -3.538 3.736 1.00 0.00 H new ATOM 452 N GLN A 30 1.204 -3.010 -0.767 1.00 0.00 N ATOM 453 CA GLN A 30 1.913 -2.423 -1.896 1.00 0.00 C ATOM 454 C GLN A 30 0.990 -1.494 -2.668 1.00 0.00 C ATOM 455 O GLN A 30 -0.222 -1.699 -2.689 1.00 0.00 O ATOM 456 CB GLN A 30 2.446 -3.515 -2.830 1.00 0.00 C ATOM 457 CG GLN A 30 1.481 -4.665 -3.040 1.00 0.00 C ATOM 458 CD GLN A 30 0.816 -4.614 -4.392 1.00 0.00 C ATOM 459 OE1 GLN A 30 0.092 -3.678 -4.712 1.00 0.00 O ATOM 460 NE2 GLN A 30 1.073 -5.616 -5.197 1.00 0.00 N ATOM 0 H GLN A 30 0.525 -3.726 -1.026 1.00 0.00 H new ATOM 0 HA GLN A 30 2.757 -1.852 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.682 -3.070 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.379 -3.905 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.016 -5.609 -2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.718 -4.643 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.682 -6.374 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.664 -5.637 -6.131 1.00 0.00 H new ATOM 469 N TRP A 31 1.552 -0.478 -3.297 1.00 0.00 N ATOM 470 CA TRP A 31 0.774 0.388 -4.162 1.00 0.00 C ATOM 471 C TRP A 31 1.202 0.206 -5.612 1.00 0.00 C ATOM 472 O TRP A 31 0.980 1.084 -6.447 1.00 0.00 O ATOM 473 CB TRP A 31 0.896 1.876 -3.769 1.00 0.00 C ATOM 474 CG TRP A 31 1.789 2.172 -2.594 1.00 0.00 C ATOM 475 CD1 TRP A 31 3.120 1.917 -2.498 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.418 2.814 -1.369 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.597 2.323 -1.276 1.00 0.00 N ATOM 478 CE2 TRP A 31 2.574 2.884 -0.567 1.00 0.00 C ATOM 479 CE3 TRP A 31 0.221 3.327 -0.864 1.00 0.00 C ATOM 480 CZ2 TRP A 31 2.565 3.444 0.707 1.00 0.00 C ATOM 481 CZ3 TRP A 31 0.216 3.885 0.399 1.00 0.00 C ATOM 482 CH2 TRP A 31 1.379 3.939 1.171 1.00 0.00 C ATOM 0 H TRP A 31 2.540 -0.233 -3.225 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.271 0.100 -4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.266 2.431 -4.631 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.101 2.257 -3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.718 1.460 -3.273 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.559 2.222 -0.951 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.685 3.288 -1.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.462 3.486 1.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.704 4.287 0.797 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.340 4.381 2.155 1.00 0.00 H new ATOM 493 N HIS A 32 1.800 -0.945 -5.927 1.00 0.00 N ATOM 494 CA HIS A 32 2.273 -1.184 -7.289 1.00 0.00 C ATOM 495 C HIS A 32 1.408 -2.220 -7.988 1.00 0.00 C ATOM 496 O HIS A 32 1.700 -2.626 -9.113 1.00 0.00 O ATOM 497 CB HIS A 32 3.760 -1.594 -7.326 1.00 0.00 C ATOM 498 CG HIS A 32 4.119 -2.831 -6.553 1.00 0.00 C ATOM 499 ND1 HIS A 32 3.463 -4.036 -6.687 1.00 0.00 N ATOM 500 CD2 HIS A 32 5.104 -3.044 -5.647 1.00 0.00 C ATOM 501 CE1 HIS A 32 4.024 -4.928 -5.891 1.00 0.00 C ATOM 502 NE2 HIS A 32 5.023 -4.356 -5.253 1.00 0.00 N ATOM 0 H HIS A 32 1.965 -1.710 -5.273 1.00 0.00 H new ATOM 0 HA HIS A 32 2.188 -0.241 -7.828 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.050 -1.742 -8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.355 -0.765 -6.944 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.821 -2.315 -5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.714 -5.957 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.636 -4.812 -4.577 1.00 0.00 H new ATOM 511 N ARG A 33 0.348 -2.641 -7.297 1.00 0.00 N ATOM 512 CA ARG A 33 -0.617 -3.613 -7.813 1.00 0.00 C ATOM 513 C ARG A 33 -0.003 -5.001 -7.956 1.00 0.00 C ATOM 514 O ARG A 33 1.103 -5.160 -8.465 1.00 0.00 O ATOM 515 CB ARG A 33 -1.217 -3.157 -9.144 1.00 0.00 C ATOM 516 CG ARG A 33 -2.622 -3.687 -9.367 1.00 0.00 C ATOM 517 CD ARG A 33 -3.004 -3.675 -10.828 1.00 0.00 C ATOM 518 NE ARG A 33 -3.314 -5.016 -11.321 1.00 0.00 N ATOM 519 CZ ARG A 33 -3.290 -5.371 -12.605 1.00 0.00 C ATOM 520 NH1 ARG A 33 -2.952 -4.496 -13.545 1.00 0.00 N ATOM 521 NH2 ARG A 33 -3.605 -6.610 -12.946 1.00 0.00 N ATOM 0 H ARG A 33 0.133 -2.314 -6.355 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.421 -3.675 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.235 -2.068 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.575 -3.489 -9.960 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.691 -4.704 -8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.332 -3.083 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.868 -3.026 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.187 -3.253 -11.413 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.566 -5.728 -10.635 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.707 -3.540 -13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.937 -4.780 -14.525 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.864 -7.286 -12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.589 -6.889 -13.927 1.00 0.00 H new ATOM 535 N PRO A 34 -0.696 -6.026 -7.448 1.00 0.00 N ATOM 536 CA PRO A 34 -0.258 -7.409 -7.590 1.00 0.00 C ATOM 537 C PRO A 34 -0.455 -7.917 -9.011 1.00 0.00 C ATOM 538 O PRO A 34 -1.533 -7.771 -9.593 1.00 0.00 O ATOM 539 CB PRO A 34 -1.146 -8.174 -6.610 1.00 0.00 C ATOM 540 CG PRO A 34 -2.363 -7.334 -6.438 1.00 0.00 C ATOM 541 CD PRO A 34 -1.949 -5.911 -6.677 1.00 0.00 C ATOM 0 HA PRO A 34 0.806 -7.529 -7.385 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.401 -9.160 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.638 -8.328 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.141 -7.633 -7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.776 -7.453 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.710 -5.362 -7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.793 -5.378 -5.739 1.00 0.00 H new