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 26 ASN : amide:sc= 0 X(o=-0.87,f=-0.87) USER MOD Set 1.2: A 28 SER OG : rot -106:sc= -0.87 USER MOD Set 2.1: A 23 ASN : amide:sc= 0.448 K(o=0.4,f=-11!) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0433 X(o=0.4,f=0.29) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -139:sc= 0.101 (180deg=0) USER MOD Set 3.2: A 20 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 15 ASN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc=0.000371 USER MOD Single : A 30 GLN : amide:sc= -2.34! C(o=-2.3!,f=-6.8!) USER MOD Single : A 32 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -7.320 -9.078 -8.723 1.00 0.00 N ATOM 50 CA LEU A 5 -6.604 -9.180 -7.472 1.00 0.00 C ATOM 51 C LEU A 5 -6.821 -10.545 -6.837 1.00 0.00 C ATOM 52 O LEU A 5 -7.958 -10.999 -6.703 1.00 0.00 O ATOM 53 CB LEU A 5 -7.085 -8.081 -6.529 1.00 0.00 C ATOM 54 CG LEU A 5 -6.000 -7.141 -6.001 1.00 0.00 C ATOM 55 CD1 LEU A 5 -5.222 -6.518 -7.150 1.00 0.00 C ATOM 56 CD2 LEU A 5 -6.623 -6.059 -5.133 1.00 0.00 C ATOM 0 HA LEU A 5 -5.537 -9.061 -7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.836 -7.485 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.581 -8.548 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.304 -7.721 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.455 -5.853 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.750 -7.305 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.902 -5.949 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.842 -5.395 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.337 -5.485 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.138 -6.520 -4.290 1.00 0.00 H new ATOM 68 N PRO A 6 -5.728 -11.224 -6.458 1.00 0.00 N ATOM 69 CA PRO A 6 -5.790 -12.523 -5.779 1.00 0.00 C ATOM 70 C PRO A 6 -6.537 -12.443 -4.442 1.00 0.00 C ATOM 71 O PRO A 6 -6.717 -11.357 -3.882 1.00 0.00 O ATOM 72 CB PRO A 6 -4.314 -12.894 -5.566 1.00 0.00 C ATOM 73 CG PRO A 6 -3.562 -12.061 -6.547 1.00 0.00 C ATOM 74 CD PRO A 6 -4.341 -10.784 -6.675 1.00 0.00 C ATOM 0 HA PRO A 6 -6.338 -13.263 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.997 -12.683 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.145 -13.957 -5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.547 -11.868 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.479 -12.567 -7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.031 -10.045 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.210 -10.327 -7.656 1.00 0.00 H new ATOM 82 N PRO A 7 -6.984 -13.595 -3.922 1.00 0.00 N ATOM 83 CA PRO A 7 -7.786 -13.657 -2.695 1.00 0.00 C ATOM 84 C PRO A 7 -7.036 -13.139 -1.471 1.00 0.00 C ATOM 85 O PRO A 7 -5.939 -13.607 -1.149 1.00 0.00 O ATOM 86 CB PRO A 7 -8.103 -15.145 -2.541 1.00 0.00 C ATOM 87 CG PRO A 7 -7.084 -15.852 -3.362 1.00 0.00 C ATOM 88 CD PRO A 7 -6.741 -14.927 -4.489 1.00 0.00 C ATOM 0 HA PRO A 7 -8.672 -13.026 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.049 -15.452 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.112 -15.370 -2.887 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.200 -16.087 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.475 -16.797 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.705 -15.046 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.365 -15.111 -5.364 1.00 0.00 H new ATOM 96 N GLY A 8 -7.641 -12.174 -0.795 1.00 0.00 N ATOM 97 CA GLY A 8 -7.021 -11.570 0.367 1.00 0.00 C ATOM 98 C GLY A 8 -6.547 -10.168 0.081 1.00 0.00 C ATOM 99 O GLY A 8 -6.258 -9.404 0.996 1.00 0.00 O ATOM 0 H GLY A 8 -8.558 -11.796 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.734 -11.552 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.177 -12.181 0.688 1.00 0.00 H new ATOM 103 N TRP A 9 -6.474 -9.824 -1.194 1.00 0.00 N ATOM 104 CA TRP A 9 -6.038 -8.500 -1.603 1.00 0.00 C ATOM 105 C TRP A 9 -7.218 -7.536 -1.617 1.00 0.00 C ATOM 106 O TRP A 9 -8.282 -7.852 -2.152 1.00 0.00 O ATOM 107 CB TRP A 9 -5.400 -8.569 -2.988 1.00 0.00 C ATOM 108 CG TRP A 9 -4.035 -9.183 -2.989 1.00 0.00 C ATOM 109 CD1 TRP A 9 -3.709 -10.473 -3.294 1.00 0.00 C ATOM 110 CD2 TRP A 9 -2.813 -8.527 -2.664 1.00 0.00 C ATOM 111 NE1 TRP A 9 -2.349 -10.649 -3.187 1.00 0.00 N ATOM 112 CE2 TRP A 9 -1.780 -9.468 -2.799 1.00 0.00 C ATOM 113 CE3 TRP A 9 -2.493 -7.230 -2.275 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -0.448 -9.150 -2.557 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.175 -6.917 -2.032 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.166 -7.871 -2.175 1.00 0.00 C ATOM 0 H TRP A 9 -6.712 -10.446 -1.966 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.300 -8.136 -0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.048 -9.144 -3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.337 -7.562 -3.400 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -4.414 -11.241 -3.577 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.847 -11.518 -3.368 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.265 -6.482 -2.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.333 -9.887 -2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.916 -5.914 -1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.859 -7.591 -1.979 1.00 0.00 H new ATOM 127 N GLU A 10 -7.039 -6.374 -1.005 1.00 0.00 N ATOM 128 CA GLU A 10 -8.089 -5.370 -0.962 1.00 0.00 C ATOM 129 C GLU A 10 -7.625 -4.071 -1.613 1.00 0.00 C ATOM 130 O GLU A 10 -6.505 -3.618 -1.380 1.00 0.00 O ATOM 131 CB GLU A 10 -8.504 -5.106 0.488 1.00 0.00 C ATOM 132 CG GLU A 10 -9.795 -5.799 0.885 1.00 0.00 C ATOM 133 CD GLU A 10 -10.089 -5.691 2.367 1.00 0.00 C ATOM 134 OE1 GLU A 10 -9.961 -4.577 2.922 1.00 0.00 O ATOM 135 OE2 GLU A 10 -10.455 -6.716 2.985 1.00 0.00 O ATOM 0 H GLU A 10 -6.176 -6.105 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.946 -5.748 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.705 -5.436 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.618 -4.032 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.622 -5.365 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.737 -6.851 0.607 1.00 0.00 H new ATOM 142 N GLU A 11 -8.485 -3.484 -2.430 1.00 0.00 N ATOM 143 CA GLU A 11 -8.176 -2.216 -3.079 1.00 0.00 C ATOM 144 C GLU A 11 -8.501 -1.054 -2.147 1.00 0.00 C ATOM 145 O GLU A 11 -9.657 -0.854 -1.772 1.00 0.00 O ATOM 146 CB GLU A 11 -8.955 -2.075 -4.386 1.00 0.00 C ATOM 147 CG GLU A 11 -8.373 -1.028 -5.322 1.00 0.00 C ATOM 148 CD GLU A 11 -9.426 -0.369 -6.189 1.00 0.00 C ATOM 149 OE1 GLU A 11 -10.542 -0.110 -5.684 1.00 0.00 O ATOM 150 OE2 GLU A 11 -9.147 -0.096 -7.376 1.00 0.00 O ATOM 0 H GLU A 11 -9.403 -3.864 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.111 -2.198 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.973 -3.038 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.989 -1.815 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.862 -0.265 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.622 -1.494 -5.960 1.00 0.00 H new ATOM 157 N LYS A 12 -7.481 -0.308 -1.761 1.00 0.00 N ATOM 158 CA LYS A 12 -7.657 0.804 -0.839 1.00 0.00 C ATOM 159 C LYS A 12 -6.937 2.039 -1.355 1.00 0.00 C ATOM 160 O LYS A 12 -5.863 1.934 -1.936 1.00 0.00 O ATOM 161 CB LYS A 12 -7.103 0.444 0.543 1.00 0.00 C ATOM 162 CG LYS A 12 -7.941 -0.569 1.307 1.00 0.00 C ATOM 163 CD LYS A 12 -8.160 -0.145 2.748 1.00 0.00 C ATOM 164 CE LYS A 12 -6.859 -0.077 3.523 1.00 0.00 C ATOM 165 NZ LYS A 12 -6.747 1.183 4.303 1.00 0.00 N ATOM 0 H LYS A 12 -6.520 -0.451 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.724 1.012 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.094 0.049 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.022 1.354 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.905 -0.690 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.447 -1.540 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.646 0.830 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.836 -0.849 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.793 -0.930 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.020 -0.153 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.775 1.548 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.409 1.888 3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.978 0.996 5.300 1.00 0.00 H new ATOM 179 N VAL A 13 -7.523 3.207 -1.161 1.00 0.00 N ATOM 180 CA VAL A 13 -6.819 4.444 -1.452 1.00 0.00 C ATOM 181 C VAL A 13 -6.241 5.015 -0.161 1.00 0.00 C ATOM 182 O VAL A 13 -6.940 5.138 0.849 1.00 0.00 O ATOM 183 CB VAL A 13 -7.725 5.484 -2.172 1.00 0.00 C ATOM 184 CG1 VAL A 13 -7.747 6.825 -1.455 1.00 0.00 C ATOM 185 CG2 VAL A 13 -7.267 5.684 -3.605 1.00 0.00 C ATOM 0 H VAL A 13 -8.472 3.326 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.006 4.218 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.738 5.082 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.393 7.516 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.127 6.690 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.736 7.231 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.911 6.414 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.239 6.045 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.322 4.736 -4.140 1.00 0.00 H new ATOM 195 N ASP A 14 -4.953 5.305 -0.180 1.00 0.00 N ATOM 196 CA ASP A 14 -4.295 5.911 0.965 1.00 0.00 C ATOM 197 C ASP A 14 -4.594 7.407 1.003 1.00 0.00 C ATOM 198 O ASP A 14 -4.977 7.994 -0.009 1.00 0.00 O ATOM 199 CB ASP A 14 -2.785 5.644 0.903 1.00 0.00 C ATOM 200 CG ASP A 14 -1.966 6.597 1.755 1.00 0.00 C ATOM 201 OD1 ASP A 14 -2.208 6.676 2.978 1.00 0.00 O ATOM 202 OD2 ASP A 14 -1.083 7.280 1.204 1.00 0.00 O ATOM 0 H ASP A 14 -4.340 5.131 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.678 5.466 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.591 4.622 1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.453 5.718 -0.133 1.00 0.00 H new ATOM 207 N ASN A 15 -4.419 8.008 2.174 1.00 0.00 N ATOM 208 CA ASN A 15 -4.703 9.426 2.394 1.00 0.00 C ATOM 209 C ASN A 15 -3.960 10.326 1.401 1.00 0.00 C ATOM 210 O ASN A 15 -4.386 11.450 1.141 1.00 0.00 O ATOM 211 CB ASN A 15 -4.338 9.808 3.835 1.00 0.00 C ATOM 212 CG ASN A 15 -2.908 10.308 3.988 1.00 0.00 C ATOM 213 OD1 ASN A 15 -2.674 11.490 4.250 1.00 0.00 O ATOM 214 ND2 ASN A 15 -1.940 9.413 3.838 1.00 0.00 N ATOM 0 H ASN A 15 -4.074 7.525 3.004 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.769 9.581 2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.024 10.581 4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.482 8.941 4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.965 9.695 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.171 8.443 3.621 1.00 0.00 H new ATOM 221 N LEU A 16 -2.862 9.828 0.842 1.00 0.00 N ATOM 222 CA LEU A 16 -2.072 10.593 -0.113 1.00 0.00 C ATOM 223 C LEU A 16 -2.624 10.457 -1.530 1.00 0.00 C ATOM 224 O LEU A 16 -2.070 11.019 -2.477 1.00 0.00 O ATOM 225 CB LEU A 16 -0.616 10.127 -0.087 1.00 0.00 C ATOM 226 CG LEU A 16 0.292 10.873 0.888 1.00 0.00 C ATOM 227 CD1 LEU A 16 1.427 9.973 1.340 1.00 0.00 C ATOM 228 CD2 LEU A 16 0.838 12.137 0.246 1.00 0.00 C ATOM 0 H LEU A 16 -2.499 8.895 1.035 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.127 11.642 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.596 9.066 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.202 10.226 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.295 11.159 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.067 10.516 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.018 9.093 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.012 9.663 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.483 12.656 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.412 11.875 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.011 12.788 -0.036 1.00 0.00 H new ATOM 240 N GLY A 17 -3.707 9.702 -1.678 1.00 0.00 N ATOM 241 CA GLY A 17 -4.302 9.507 -2.984 1.00 0.00 C ATOM 242 C GLY A 17 -3.635 8.386 -3.749 1.00 0.00 C ATOM 243 O GLY A 17 -3.628 8.379 -4.977 1.00 0.00 O ATOM 0 H GLY A 17 -4.183 9.221 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.363 9.286 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.229 10.431 -3.557 1.00 0.00 H new ATOM 247 N ARG A 18 -3.077 7.430 -3.018 1.00 0.00 N ATOM 248 CA ARG A 18 -2.398 6.301 -3.638 1.00 0.00 C ATOM 249 C ARG A 18 -3.264 5.060 -3.524 1.00 0.00 C ATOM 250 O ARG A 18 -3.440 4.514 -2.434 1.00 0.00 O ATOM 251 CB ARG A 18 -1.020 6.045 -2.999 1.00 0.00 C ATOM 252 CG ARG A 18 -0.514 7.191 -2.143 1.00 0.00 C ATOM 253 CD ARG A 18 0.933 6.973 -1.738 1.00 0.00 C ATOM 254 NE ARG A 18 1.813 8.006 -2.276 1.00 0.00 N ATOM 255 CZ ARG A 18 3.102 7.815 -2.555 1.00 0.00 C ATOM 256 NH1 ARG A 18 3.642 6.608 -2.428 1.00 0.00 N ATOM 257 NH2 ARG A 18 3.846 8.824 -2.986 1.00 0.00 N ATOM 0 H ARG A 18 -3.081 7.414 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.235 6.540 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.077 5.145 -2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.296 5.848 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.604 8.127 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.134 7.285 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.008 6.963 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.264 5.996 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 18 1.417 8.930 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.070 5.823 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.629 6.466 -2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.432 9.749 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.832 8.676 -3.199 1.00 0.00 H new ATOM 271 N THR A 19 -3.830 4.644 -4.643 1.00 0.00 N ATOM 272 CA THR A 19 -4.656 3.452 -4.683 1.00 0.00 C ATOM 273 C THR A 19 -3.777 2.210 -4.601 1.00 0.00 C ATOM 274 O THR A 19 -3.180 1.797 -5.598 1.00 0.00 O ATOM 275 CB THR A 19 -5.491 3.392 -5.977 1.00 0.00 C ATOM 276 OG1 THR A 19 -5.690 4.716 -6.499 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.840 2.728 -5.726 1.00 0.00 C ATOM 0 H THR A 19 -3.731 5.118 -5.541 1.00 0.00 H new ATOM 0 HA THR A 19 -5.335 3.488 -3.831 1.00 0.00 H new ATOM 0 HB THR A 19 -4.943 2.795 -6.706 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.220 4.667 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.409 2.698 -6.655 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.684 1.712 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.393 3.298 -4.980 1.00 0.00 H new ATOM 285 N TYR A 20 -3.691 1.629 -3.419 1.00 0.00 N ATOM 286 CA TYR A 20 -2.836 0.479 -3.202 1.00 0.00 C ATOM 287 C TYR A 20 -3.657 -0.763 -2.923 1.00 0.00 C ATOM 288 O TYR A 20 -4.881 -0.705 -2.786 1.00 0.00 O ATOM 289 CB TYR A 20 -1.851 0.739 -2.059 1.00 0.00 C ATOM 290 CG TYR A 20 -2.449 0.773 -0.669 1.00 0.00 C ATOM 291 CD1 TYR A 20 -3.289 1.806 -0.268 1.00 0.00 C ATOM 292 CD2 TYR A 20 -2.151 -0.223 0.252 1.00 0.00 C ATOM 293 CE1 TYR A 20 -3.816 1.840 1.010 1.00 0.00 C ATOM 294 CE2 TYR A 20 -2.670 -0.192 1.528 1.00 0.00 C ATOM 295 CZ TYR A 20 -3.502 0.838 1.902 1.00 0.00 C ATOM 296 OH TYR A 20 -4.015 0.868 3.178 1.00 0.00 O ATOM 0 H TYR A 20 -4.205 1.936 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.265 0.311 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.082 -0.033 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.353 1.691 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.534 2.594 -0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.501 -1.036 -0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.470 2.647 1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.425 -0.973 2.232 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.696 0.087 3.677 1.00 0.00 H new ATOM 306 N TYR A 21 -2.973 -1.884 -2.848 1.00 0.00 N ATOM 307 CA TYR A 21 -3.617 -3.158 -2.643 1.00 0.00 C ATOM 308 C TYR A 21 -3.063 -3.801 -1.387 1.00 0.00 C ATOM 309 O TYR A 21 -1.866 -4.074 -1.284 1.00 0.00 O ATOM 310 CB TYR A 21 -3.415 -4.037 -3.879 1.00 0.00 C ATOM 311 CG TYR A 21 -3.774 -3.307 -5.157 1.00 0.00 C ATOM 312 CD1 TYR A 21 -5.101 -3.041 -5.470 1.00 0.00 C ATOM 313 CD2 TYR A 21 -2.794 -2.857 -6.031 1.00 0.00 C ATOM 314 CE1 TYR A 21 -5.441 -2.356 -6.617 1.00 0.00 C ATOM 315 CE2 TYR A 21 -3.127 -2.163 -7.178 1.00 0.00 C ATOM 316 CZ TYR A 21 -4.451 -1.918 -7.467 1.00 0.00 C ATOM 317 OH TYR A 21 -4.788 -1.225 -8.607 1.00 0.00 O ATOM 0 H TYR A 21 -1.957 -1.935 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.690 -3.027 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.376 -4.363 -3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.027 -4.935 -3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.881 -3.377 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.755 -3.053 -5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.479 -2.164 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.353 -1.814 -7.845 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.974 -0.986 -9.097 1.00 0.00 H new ATOM 327 N VAL A 22 -3.939 -3.996 -0.422 1.00 0.00 N ATOM 328 CA VAL A 22 -3.549 -4.507 0.876 1.00 0.00 C ATOM 329 C VAL A 22 -4.002 -5.950 1.044 1.00 0.00 C ATOM 330 O VAL A 22 -5.199 -6.238 1.115 1.00 0.00 O ATOM 331 CB VAL A 22 -4.125 -3.624 2.015 1.00 0.00 C ATOM 332 CG1 VAL A 22 -5.576 -3.256 1.747 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.988 -4.297 3.374 1.00 0.00 C ATOM 0 H VAL A 22 -4.937 -3.806 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.461 -4.476 0.936 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.537 -2.707 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.951 -2.637 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.644 -2.702 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.174 -4.164 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.403 -3.648 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.529 -5.243 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.935 -4.482 3.584 1.00 0.00 H new ATOM 343 N ASN A 23 -3.043 -6.860 1.071 1.00 0.00 N ATOM 344 CA ASN A 23 -3.341 -8.259 1.329 1.00 0.00 C ATOM 345 C ASN A 23 -3.743 -8.413 2.791 1.00 0.00 C ATOM 346 O ASN A 23 -3.259 -7.677 3.644 1.00 0.00 O ATOM 347 CB ASN A 23 -2.126 -9.140 1.019 1.00 0.00 C ATOM 348 CG ASN A 23 -2.482 -10.602 0.776 1.00 0.00 C ATOM 349 OD1 ASN A 23 -3.344 -11.172 1.445 1.00 0.00 O ATOM 350 ND2 ASN A 23 -1.797 -11.225 -0.165 1.00 0.00 N ATOM 0 H ASN A 23 -2.055 -6.657 0.918 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.159 -8.578 0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.617 -8.747 0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.421 -9.079 1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.975 -12.211 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.090 -10.721 -0.700 1.00 0.00 H new ATOM 357 N HIS A 24 -4.656 -9.320 3.084 1.00 0.00 N ATOM 358 CA HIS A 24 -5.053 -9.563 4.463 1.00 0.00 C ATOM 359 C HIS A 24 -4.482 -10.880 4.970 1.00 0.00 C ATOM 360 O HIS A 24 -4.299 -11.066 6.170 1.00 0.00 O ATOM 361 CB HIS A 24 -6.574 -9.540 4.600 1.00 0.00 C ATOM 362 CG HIS A 24 -7.118 -8.152 4.728 1.00 0.00 C ATOM 363 ND1 HIS A 24 -8.198 -7.831 5.517 1.00 0.00 N ATOM 364 CD2 HIS A 24 -6.710 -6.997 4.162 1.00 0.00 C ATOM 365 CE1 HIS A 24 -8.429 -6.534 5.436 1.00 0.00 C ATOM 366 NE2 HIS A 24 -7.541 -6.001 4.616 1.00 0.00 N ATOM 0 H HIS A 24 -5.135 -9.898 2.393 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.645 -8.762 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.021 -10.023 3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.866 -10.123 5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.883 -6.877 3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.212 -5.999 5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.482 -5.015 4.362 1.00 0.00 H new ATOM 375 N ASN A 25 -4.181 -11.783 4.046 1.00 0.00 N ATOM 376 CA ASN A 25 -3.621 -13.081 4.403 1.00 0.00 C ATOM 377 C ASN A 25 -2.100 -12.979 4.537 1.00 0.00 C ATOM 378 O ASN A 25 -1.505 -13.549 5.452 1.00 0.00 O ATOM 379 CB ASN A 25 -4.044 -14.144 3.368 1.00 0.00 C ATOM 380 CG ASN A 25 -2.884 -14.805 2.644 1.00 0.00 C ATOM 381 OD1 ASN A 25 -2.205 -15.679 3.183 1.00 0.00 O ATOM 382 ND2 ASN A 25 -2.665 -14.402 1.404 1.00 0.00 N ATOM 0 H ASN A 25 -4.315 -11.641 3.045 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.013 -13.394 5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.629 -14.913 3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.699 -13.678 2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.911 -14.818 0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.250 -13.675 0.993 1.00 0.00 H new ATOM 389 N ASN A 26 -1.478 -12.230 3.632 1.00 0.00 N ATOM 390 CA ASN A 26 -0.042 -11.971 3.710 1.00 0.00 C ATOM 391 C ASN A 26 0.201 -10.580 4.289 1.00 0.00 C ATOM 392 O ASN A 26 1.308 -10.248 4.713 1.00 0.00 O ATOM 393 CB ASN A 26 0.604 -12.080 2.324 1.00 0.00 C ATOM 394 CG ASN A 26 2.034 -12.592 2.376 1.00 0.00 C ATOM 395 OD1 ASN A 26 2.288 -13.774 2.149 1.00 0.00 O ATOM 396 ND2 ASN A 26 2.977 -11.709 2.667 1.00 0.00 N ATOM 0 H ASN A 26 -1.943 -11.792 2.837 1.00 0.00 H new ATOM 0 HA ASN A 26 0.411 -12.718 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.007 -12.747 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.591 -11.101 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.953 -12.001 2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.727 -10.737 2.849 1.00 0.00 H new ATOM 403 N ARG A 27 -0.866 -9.783 4.293 1.00 0.00 N ATOM 404 CA ARG A 27 -0.855 -8.407 4.799 1.00 0.00 C ATOM 405 C ARG A 27 0.170 -7.525 4.088 1.00 0.00 C ATOM 406 O ARG A 27 0.641 -6.533 4.644 1.00 0.00 O ATOM 407 CB ARG A 27 -0.637 -8.367 6.308 1.00 0.00 C ATOM 408 CG ARG A 27 -1.766 -8.994 7.107 1.00 0.00 C ATOM 409 CD ARG A 27 -2.593 -7.939 7.833 1.00 0.00 C ATOM 410 NE ARG A 27 -2.177 -6.574 7.497 1.00 0.00 N ATOM 411 CZ ARG A 27 -3.021 -5.569 7.268 1.00 0.00 C ATOM 412 NH1 ARG A 27 -4.330 -5.763 7.359 1.00 0.00 N ATOM 413 NH2 ARG A 27 -2.553 -4.369 6.947 1.00 0.00 N ATOM 0 H ARG A 27 -1.777 -10.077 3.940 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.841 -7.997 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.294 -8.883 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.515 -7.330 6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.410 -9.567 6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.353 -9.696 7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.645 -8.068 7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.504 -8.089 8.909 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.177 -6.381 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.693 -6.684 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.973 -4.991 7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.547 -4.216 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.199 -3.600 6.772 1.00 0.00 H new ATOM 427 N SER A 28 0.513 -7.897 2.865 1.00 0.00 N ATOM 428 CA SER A 28 1.357 -7.077 2.017 1.00 0.00 C ATOM 429 C SER A 28 0.632 -5.783 1.641 1.00 0.00 C ATOM 430 O SER A 28 -0.471 -5.817 1.092 1.00 0.00 O ATOM 431 CB SER A 28 1.723 -7.877 0.769 1.00 0.00 C ATOM 432 OG SER A 28 1.250 -9.214 0.884 1.00 0.00 O ATOM 0 H SER A 28 0.215 -8.773 2.435 1.00 0.00 H new ATOM 0 HA SER A 28 2.268 -6.805 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.290 -7.406 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.804 -7.877 0.633 1.00 0.00 H new ATOM 0 HG SER A 28 2.005 -9.814 1.058 1.00 0.00 H new ATOM 438 N THR A 29 1.250 -4.650 1.947 1.00 0.00 N ATOM 439 CA THR A 29 0.633 -3.351 1.712 1.00 0.00 C ATOM 440 C THR A 29 1.385 -2.576 0.632 1.00 0.00 C ATOM 441 O THR A 29 2.100 -1.615 0.920 1.00 0.00 O ATOM 442 CB THR A 29 0.588 -2.521 3.012 1.00 0.00 C ATOM 443 OG1 THR A 29 1.363 -3.167 4.037 1.00 0.00 O ATOM 444 CG2 THR A 29 -0.842 -2.349 3.495 1.00 0.00 C ATOM 0 H THR A 29 2.182 -4.604 2.360 1.00 0.00 H new ATOM 0 HA THR A 29 -0.387 -3.528 1.371 1.00 0.00 H new ATOM 0 HB THR A 29 1.008 -1.538 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.330 -2.632 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.848 -1.761 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.425 -1.835 2.731 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.281 -3.328 3.689 1.00 0.00 H new ATOM 452 N GLN A 30 1.243 -3.020 -0.607 1.00 0.00 N ATOM 453 CA GLN A 30 1.947 -2.408 -1.729 1.00 0.00 C ATOM 454 C GLN A 30 0.997 -1.584 -2.601 1.00 0.00 C ATOM 455 O GLN A 30 -0.202 -1.852 -2.639 1.00 0.00 O ATOM 456 CB GLN A 30 2.632 -3.487 -2.568 1.00 0.00 C ATOM 457 CG GLN A 30 1.752 -4.686 -2.871 1.00 0.00 C ATOM 458 CD GLN A 30 1.332 -4.738 -4.321 1.00 0.00 C ATOM 459 OE1 GLN A 30 0.490 -3.959 -4.762 1.00 0.00 O ATOM 460 NE2 GLN A 30 1.923 -5.644 -5.075 1.00 0.00 N ATOM 0 H GLN A 30 0.645 -3.805 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 30 2.702 -1.732 -1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.963 -3.046 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.525 -3.828 -2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.288 -5.601 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.865 -4.651 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.617 -6.272 -4.669 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.686 -5.717 -6.064 1.00 0.00 H new ATOM 469 N TRP A 31 1.534 -0.589 -3.306 1.00 0.00 N ATOM 470 CA TRP A 31 0.731 0.219 -4.214 1.00 0.00 C ATOM 471 C TRP A 31 1.168 0.011 -5.665 1.00 0.00 C ATOM 472 O TRP A 31 0.864 0.833 -6.532 1.00 0.00 O ATOM 473 CB TRP A 31 0.811 1.726 -3.888 1.00 0.00 C ATOM 474 CG TRP A 31 1.714 2.114 -2.749 1.00 0.00 C ATOM 475 CD1 TRP A 31 3.049 1.866 -2.642 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.356 2.864 -1.579 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.537 2.382 -1.469 1.00 0.00 N ATOM 478 CE2 TRP A 31 2.521 3.004 -0.801 1.00 0.00 C ATOM 479 CE3 TRP A 31 0.168 3.421 -1.107 1.00 0.00 C ATOM 480 CZ2 TRP A 31 2.529 3.677 0.416 1.00 0.00 C ATOM 481 CZ3 TRP A 31 0.179 4.092 0.097 1.00 0.00 C ATOM 482 CH2 TRP A 31 1.350 4.214 0.845 1.00 0.00 C ATOM 0 H TRP A 31 2.519 -0.326 -3.264 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.299 -0.112 -4.082 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.143 2.253 -4.783 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.195 2.082 -3.664 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.639 1.338 -3.376 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.502 2.313 -1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.746 3.328 -1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.433 3.771 0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.735 4.531 0.468 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.323 4.745 1.785 1.00 0.00 H new ATOM 493 N HIS A 32 1.876 -1.081 -5.942 1.00 0.00 N ATOM 494 CA HIS A 32 2.406 -1.295 -7.291 1.00 0.00 C ATOM 495 C HIS A 32 1.709 -2.450 -8.007 1.00 0.00 C ATOM 496 O HIS A 32 2.054 -2.765 -9.145 1.00 0.00 O ATOM 497 CB HIS A 32 3.927 -1.513 -7.259 1.00 0.00 C ATOM 498 CG HIS A 32 4.363 -2.859 -6.759 1.00 0.00 C ATOM 499 ND1 HIS A 32 4.638 -3.112 -5.437 1.00 0.00 N ATOM 500 CD2 HIS A 32 4.581 -4.024 -7.416 1.00 0.00 C ATOM 501 CE1 HIS A 32 5.005 -4.370 -5.298 1.00 0.00 C ATOM 502 NE2 HIS A 32 4.976 -4.944 -6.484 1.00 0.00 N ATOM 0 H HIS A 32 2.094 -1.817 -5.270 1.00 0.00 H new ATOM 0 HA HIS A 32 2.199 -0.389 -7.861 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.321 -1.371 -8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.376 -0.745 -6.629 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.465 -4.194 -8.476 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.282 -4.849 -4.371 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.210 -5.918 -6.676 1.00 0.00 H new ATOM 511 N ARG A 33 0.741 -3.069 -7.332 1.00 0.00 N ATOM 512 CA ARG A 33 -0.063 -4.158 -7.901 1.00 0.00 C ATOM 513 C ARG A 33 0.749 -5.447 -8.047 1.00 0.00 C ATOM 514 O ARG A 33 1.844 -5.447 -8.609 1.00 0.00 O ATOM 515 CB ARG A 33 -0.664 -3.752 -9.256 1.00 0.00 C ATOM 516 CG ARG A 33 -2.036 -4.350 -9.534 1.00 0.00 C ATOM 517 CD ARG A 33 -1.921 -5.731 -10.153 1.00 0.00 C ATOM 518 NE ARG A 33 -2.814 -5.903 -11.293 1.00 0.00 N ATOM 519 CZ ARG A 33 -2.956 -7.048 -11.956 1.00 0.00 C ATOM 520 NH1 ARG A 33 -2.247 -8.115 -11.604 1.00 0.00 N ATOM 521 NH2 ARG A 33 -3.802 -7.119 -12.973 1.00 0.00 N ATOM 0 H ARG A 33 0.489 -2.831 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.877 -4.352 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.739 -2.665 -9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.019 -4.055 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.603 -4.412 -8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.592 -3.694 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.892 -5.899 -10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.149 -6.485 -9.399 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.362 -5.099 -11.600 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.592 -8.058 -10.824 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.358 -8.992 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.342 -6.298 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.913 -7.995 -13.484 1.00 0.00 H new ATOM 535 N PRO A 34 0.224 -6.561 -7.511 1.00 0.00 N ATOM 536 CA PRO A 34 0.863 -7.877 -7.622 1.00 0.00 C ATOM 537 C PRO A 34 0.957 -8.343 -9.070 1.00 0.00 C ATOM 538 O PRO A 34 -0.028 -8.302 -9.814 1.00 0.00 O ATOM 539 CB PRO A 34 -0.056 -8.810 -6.822 1.00 0.00 C ATOM 540 CG PRO A 34 -0.894 -7.909 -5.977 1.00 0.00 C ATOM 541 CD PRO A 34 -1.030 -6.627 -6.742 1.00 0.00 C ATOM 0 HA PRO A 34 1.887 -7.859 -7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.675 -9.415 -7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.523 -9.500 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.871 -8.353 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.425 -7.737 -5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.903 -6.638 -7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.140 -5.771 -6.077 1.00 0.00 H new