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= -4.21! C(o=-4.4!,f=-8.9!) USER MOD Set 1.2: A 32 HIS : no HD1:sc= -0.224 X(o=-4.4,f=-4.6) USER MOD Set 2.1: A 26 ASN : amide:sc= -0.0132 X(o=0.13,f=-0.21) USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0.142 USER MOD Single : A 12 LYS NZ :NH3+ -131:sc= 1.26 (180deg=-0.65) USER MOD Single : A 15 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0733 USER MOD Single : A 20 TYR OH : rot 30:sc= -0.81 USER MOD Single : A 21 TYR OH : rot -140:sc= 1.18 USER MOD Single : A 23 ASN : amide:sc= 2.42 K(o=2.4,f=-12!) USER MOD Single : A 24 HIS : no HD1:sc= 0.71 K(o=0.71,f=-4.6!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00606 USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -7.651 -10.244 -9.278 1.00 0.00 N ATOM 50 CA LEU A 5 -7.379 -10.027 -7.875 1.00 0.00 C ATOM 51 C LEU A 5 -7.707 -11.284 -7.081 1.00 0.00 C ATOM 52 O LEU A 5 -8.827 -11.794 -7.162 1.00 0.00 O ATOM 53 CB LEU A 5 -8.215 -8.865 -7.356 1.00 0.00 C ATOM 54 CG LEU A 5 -7.548 -8.021 -6.273 1.00 0.00 C ATOM 55 CD1 LEU A 5 -6.244 -7.444 -6.793 1.00 0.00 C ATOM 56 CD2 LEU A 5 -8.472 -6.907 -5.808 1.00 0.00 C ATOM 0 HA LEU A 5 -6.322 -9.791 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.469 -8.217 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.152 -9.259 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.335 -8.663 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.775 -6.843 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.575 -8.256 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.444 -6.818 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.974 -6.320 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.719 -6.263 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.387 -7.339 -5.402 1.00 0.00 H new ATOM 68 N PRO A 6 -6.732 -11.835 -6.345 1.00 0.00 N ATOM 69 CA PRO A 6 -6.989 -12.925 -5.404 1.00 0.00 C ATOM 70 C PRO A 6 -7.911 -12.452 -4.275 1.00 0.00 C ATOM 71 O PRO A 6 -7.989 -11.256 -3.993 1.00 0.00 O ATOM 72 CB PRO A 6 -5.592 -13.304 -4.885 1.00 0.00 C ATOM 73 CG PRO A 6 -4.636 -12.696 -5.859 1.00 0.00 C ATOM 74 CD PRO A 6 -5.314 -11.465 -6.386 1.00 0.00 C ATOM 0 HA PRO A 6 -7.497 -13.776 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.428 -12.919 -3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.470 -14.386 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.692 -12.445 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.406 -13.391 -6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.105 -10.592 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.987 -11.225 -7.398 1.00 0.00 H new ATOM 82 N PRO A 7 -8.609 -13.379 -3.605 1.00 0.00 N ATOM 83 CA PRO A 7 -9.701 -13.028 -2.692 1.00 0.00 C ATOM 84 C PRO A 7 -9.228 -12.322 -1.430 1.00 0.00 C ATOM 85 O PRO A 7 -9.988 -11.605 -0.781 1.00 0.00 O ATOM 86 CB PRO A 7 -10.345 -14.374 -2.359 1.00 0.00 C ATOM 87 CG PRO A 7 -9.279 -15.391 -2.602 1.00 0.00 C ATOM 88 CD PRO A 7 -8.378 -14.830 -3.668 1.00 0.00 C ATOM 0 HA PRO A 7 -10.388 -12.318 -3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.686 -14.401 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.216 -14.559 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.719 -15.590 -1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.714 -16.338 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.333 -15.076 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.626 -15.231 -4.651 1.00 0.00 H new ATOM 96 N GLY A 8 -7.964 -12.501 -1.108 1.00 0.00 N ATOM 97 CA GLY A 8 -7.408 -11.887 0.076 1.00 0.00 C ATOM 98 C GLY A 8 -6.729 -10.571 -0.225 1.00 0.00 C ATOM 99 O GLY A 8 -5.709 -10.253 0.367 1.00 0.00 O ATOM 0 H GLY A 8 -7.306 -13.064 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.202 -11.725 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.690 -12.568 0.532 1.00 0.00 H new ATOM 103 N TRP A 9 -7.272 -9.816 -1.172 1.00 0.00 N ATOM 104 CA TRP A 9 -6.731 -8.504 -1.496 1.00 0.00 C ATOM 105 C TRP A 9 -7.797 -7.427 -1.370 1.00 0.00 C ATOM 106 O TRP A 9 -8.991 -7.700 -1.518 1.00 0.00 O ATOM 107 CB TRP A 9 -6.138 -8.507 -2.902 1.00 0.00 C ATOM 108 CG TRP A 9 -4.842 -9.243 -2.963 1.00 0.00 C ATOM 109 CD1 TRP A 9 -4.681 -10.588 -3.105 1.00 0.00 C ATOM 110 CD2 TRP A 9 -3.528 -8.686 -2.858 1.00 0.00 C ATOM 111 NE1 TRP A 9 -3.344 -10.904 -3.106 1.00 0.00 N ATOM 112 CE2 TRP A 9 -2.616 -9.754 -2.952 1.00 0.00 C ATOM 113 CE3 TRP A 9 -3.029 -7.390 -2.698 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -1.236 -9.564 -2.889 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.662 -7.206 -2.635 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.778 -8.287 -2.730 1.00 0.00 C ATOM 0 H TRP A 9 -8.083 -10.089 -1.727 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.939 -8.278 -0.782 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.847 -8.964 -3.593 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.987 -7.480 -3.233 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.486 -11.301 -3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.957 -11.842 -3.205 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.701 -6.548 -2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.553 -10.397 -2.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.267 -6.209 -2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.286 -8.108 -2.677 1.00 0.00 H new ATOM 127 N GLU A 10 -7.364 -6.212 -1.070 1.00 0.00 N ATOM 128 CA GLU A 10 -8.267 -5.080 -0.957 1.00 0.00 C ATOM 129 C GLU A 10 -7.690 -3.864 -1.672 1.00 0.00 C ATOM 130 O GLU A 10 -6.539 -3.493 -1.443 1.00 0.00 O ATOM 131 CB GLU A 10 -8.502 -4.751 0.514 1.00 0.00 C ATOM 132 CG GLU A 10 -9.955 -4.828 0.940 1.00 0.00 C ATOM 133 CD GLU A 10 -10.127 -4.710 2.438 1.00 0.00 C ATOM 134 OE1 GLU A 10 -9.172 -4.278 3.124 1.00 0.00 O ATOM 135 OE2 GLU A 10 -11.211 -5.060 2.942 1.00 0.00 O ATOM 0 H GLU A 10 -6.384 -5.985 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.216 -5.343 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.918 -5.438 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.128 -3.747 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.517 -4.033 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.380 -5.773 0.602 1.00 0.00 H new ATOM 142 N GLU A 11 -8.484 -3.254 -2.536 1.00 0.00 N ATOM 143 CA GLU A 11 -8.066 -2.056 -3.249 1.00 0.00 C ATOM 144 C GLU A 11 -8.477 -0.825 -2.459 1.00 0.00 C ATOM 145 O GLU A 11 -9.664 -0.514 -2.343 1.00 0.00 O ATOM 146 CB GLU A 11 -8.684 -2.030 -4.641 1.00 0.00 C ATOM 147 CG GLU A 11 -8.301 -0.813 -5.466 1.00 0.00 C ATOM 148 CD GLU A 11 -8.929 -0.836 -6.842 1.00 0.00 C ATOM 149 OE1 GLU A 11 -10.156 -1.051 -6.934 1.00 0.00 O ATOM 150 OE2 GLU A 11 -8.199 -0.647 -7.840 1.00 0.00 O ATOM 0 H GLU A 11 -9.427 -3.570 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.981 -2.061 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.382 -2.929 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.769 -2.065 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.611 0.091 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.216 -0.769 -5.564 1.00 0.00 H new ATOM 157 N LYS A 12 -7.497 -0.136 -1.909 1.00 0.00 N ATOM 158 CA LYS A 12 -7.764 0.989 -1.031 1.00 0.00 C ATOM 159 C LYS A 12 -6.922 2.196 -1.408 1.00 0.00 C ATOM 160 O LYS A 12 -5.754 2.066 -1.759 1.00 0.00 O ATOM 161 CB LYS A 12 -7.476 0.604 0.422 1.00 0.00 C ATOM 162 CG LYS A 12 -8.638 -0.081 1.115 1.00 0.00 C ATOM 163 CD LYS A 12 -8.177 -1.279 1.928 1.00 0.00 C ATOM 164 CE LYS A 12 -7.936 -0.915 3.385 1.00 0.00 C ATOM 165 NZ LYS A 12 -8.089 -2.091 4.285 1.00 0.00 N ATOM 0 H LYS A 12 -6.507 -0.335 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.816 1.252 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.609 -0.056 0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.210 1.502 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.143 0.630 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.367 -0.404 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.927 -2.068 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.259 -1.679 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.933 -0.502 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.636 -0.135 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.707 -1.840 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.511 -2.881 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.156 -2.375 4.646 1.00 0.00 H new ATOM 179 N VAL A 13 -7.518 3.370 -1.334 1.00 0.00 N ATOM 180 CA VAL A 13 -6.772 4.599 -1.508 1.00 0.00 C ATOM 181 C VAL A 13 -6.397 5.151 -0.140 1.00 0.00 C ATOM 182 O VAL A 13 -7.262 5.376 0.710 1.00 0.00 O ATOM 183 CB VAL A 13 -7.563 5.651 -2.332 1.00 0.00 C ATOM 184 CG1 VAL A 13 -7.311 7.068 -1.840 1.00 0.00 C ATOM 185 CG2 VAL A 13 -7.201 5.547 -3.801 1.00 0.00 C ATOM 0 H VAL A 13 -8.514 3.498 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.868 4.377 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.623 5.436 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.884 7.771 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.619 7.151 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.249 7.299 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.762 6.290 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.133 5.726 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.447 4.550 -4.167 1.00 0.00 H new ATOM 195 N ASP A 14 -5.104 5.313 0.089 1.00 0.00 N ATOM 196 CA ASP A 14 -4.623 5.882 1.341 1.00 0.00 C ATOM 197 C ASP A 14 -4.829 7.396 1.340 1.00 0.00 C ATOM 198 O ASP A 14 -5.237 7.965 0.328 1.00 0.00 O ATOM 199 CB ASP A 14 -3.149 5.526 1.556 1.00 0.00 C ATOM 200 CG ASP A 14 -2.764 5.431 3.022 1.00 0.00 C ATOM 201 OD1 ASP A 14 -2.773 6.470 3.713 1.00 0.00 O ATOM 202 OD2 ASP A 14 -2.436 4.323 3.487 1.00 0.00 O ATOM 0 H ASP A 14 -4.370 5.060 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.194 5.459 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.937 4.574 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.526 6.278 1.071 1.00 0.00 H new ATOM 207 N ASN A 15 -4.501 8.038 2.456 1.00 0.00 N ATOM 208 CA ASN A 15 -4.823 9.451 2.697 1.00 0.00 C ATOM 209 C ASN A 15 -4.451 10.364 1.524 1.00 0.00 C ATOM 210 O ASN A 15 -5.168 11.320 1.225 1.00 0.00 O ATOM 211 CB ASN A 15 -4.111 9.944 3.959 1.00 0.00 C ATOM 212 CG ASN A 15 -4.785 11.162 4.562 1.00 0.00 C ATOM 213 OD1 ASN A 15 -6.005 11.310 4.486 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.003 12.039 5.171 1.00 0.00 N ATOM 0 H ASN A 15 -4.001 7.595 3.227 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.905 9.502 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.087 9.142 4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.076 10.186 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.407 12.872 5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.996 11.881 5.213 1.00 0.00 H new ATOM 221 N LEU A 16 -3.344 10.064 0.855 1.00 0.00 N ATOM 222 CA LEU A 16 -2.841 10.939 -0.199 1.00 0.00 C ATOM 223 C LEU A 16 -3.103 10.380 -1.599 1.00 0.00 C ATOM 224 O LEU A 16 -2.337 10.639 -2.526 1.00 0.00 O ATOM 225 CB LEU A 16 -1.350 11.198 -0.006 1.00 0.00 C ATOM 226 CG LEU A 16 -1.020 12.519 0.688 1.00 0.00 C ATOM 227 CD1 LEU A 16 -0.257 12.266 1.976 1.00 0.00 C ATOM 228 CD2 LEU A 16 -0.226 13.424 -0.243 1.00 0.00 C ATOM 0 H LEU A 16 -2.781 9.230 1.021 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.387 11.879 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.925 10.380 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.862 11.183 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.953 13.023 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.030 13.217 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.865 11.657 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.672 11.742 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.001 14.361 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.704 12.930 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.813 13.631 -1.138 1.00 0.00 H new ATOM 240 N GLY A 17 -4.167 9.598 -1.746 1.00 0.00 N ATOM 241 CA GLY A 17 -4.611 9.179 -3.065 1.00 0.00 C ATOM 242 C GLY A 17 -3.743 8.108 -3.694 1.00 0.00 C ATOM 243 O GLY A 17 -3.777 7.915 -4.907 1.00 0.00 O ATOM 0 H GLY A 17 -4.732 9.245 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.633 8.808 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.633 10.048 -3.723 1.00 0.00 H new ATOM 247 N ARG A 18 -2.971 7.401 -2.884 1.00 0.00 N ATOM 248 CA ARG A 18 -2.166 6.303 -3.403 1.00 0.00 C ATOM 249 C ARG A 18 -2.971 5.021 -3.325 1.00 0.00 C ATOM 250 O ARG A 18 -3.209 4.491 -2.237 1.00 0.00 O ATOM 251 CB ARG A 18 -0.825 6.143 -2.656 1.00 0.00 C ATOM 252 CG ARG A 18 -0.384 7.374 -1.876 1.00 0.00 C ATOM 253 CD ARG A 18 -0.712 7.277 -0.395 1.00 0.00 C ATOM 254 NE ARG A 18 0.467 7.535 0.431 1.00 0.00 N ATOM 255 CZ ARG A 18 0.421 7.937 1.701 1.00 0.00 C ATOM 256 NH1 ARG A 18 -0.744 8.036 2.328 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.543 8.211 2.355 1.00 0.00 N ATOM 0 H ARG A 18 -2.884 7.562 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.917 6.531 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.906 5.302 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.049 5.890 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.690 7.511 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.867 8.257 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.496 7.993 -0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.104 6.285 -0.172 1.00 0.00 H new ATOM 0 HE ARG A 18 1.385 7.398 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.608 7.804 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.776 8.344 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.443 8.114 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.505 8.518 3.327 1.00 0.00 H new ATOM 271 N THR A 19 -3.432 4.566 -4.480 1.00 0.00 N ATOM 272 CA THR A 19 -4.226 3.358 -4.572 1.00 0.00 C ATOM 273 C THR A 19 -3.371 2.130 -4.292 1.00 0.00 C ATOM 274 O THR A 19 -2.624 1.669 -5.157 1.00 0.00 O ATOM 275 CB THR A 19 -4.855 3.233 -5.971 1.00 0.00 C ATOM 276 OG1 THR A 19 -4.909 4.526 -6.592 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.254 2.638 -5.891 1.00 0.00 C ATOM 0 H THR A 19 -3.265 5.025 -5.376 1.00 0.00 H new ATOM 0 HA THR A 19 -5.018 3.419 -3.825 1.00 0.00 H new ATOM 0 HB THR A 19 -4.236 2.565 -6.569 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.308 4.444 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.675 2.561 -6.894 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.202 1.646 -5.442 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.888 3.280 -5.280 1.00 0.00 H new ATOM 285 N TYR A 20 -3.464 1.614 -3.083 1.00 0.00 N ATOM 286 CA TYR A 20 -2.707 0.440 -2.719 1.00 0.00 C ATOM 287 C TYR A 20 -3.608 -0.774 -2.646 1.00 0.00 C ATOM 288 O TYR A 20 -4.834 -0.662 -2.578 1.00 0.00 O ATOM 289 CB TYR A 20 -1.951 0.640 -1.401 1.00 0.00 C ATOM 290 CG TYR A 20 -2.820 0.718 -0.168 1.00 0.00 C ATOM 291 CD1 TYR A 20 -3.411 1.914 0.219 1.00 0.00 C ATOM 292 CD2 TYR A 20 -3.042 -0.405 0.615 1.00 0.00 C ATOM 293 CE1 TYR A 20 -4.197 1.988 1.350 1.00 0.00 C ATOM 294 CE2 TYR A 20 -3.827 -0.340 1.745 1.00 0.00 C ATOM 295 CZ TYR A 20 -4.402 0.858 2.111 1.00 0.00 C ATOM 296 OH TYR A 20 -5.188 0.923 3.240 1.00 0.00 O ATOM 0 H TYR A 20 -4.054 1.989 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.963 0.272 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.245 -0.181 -1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.365 1.556 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.252 2.801 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.592 -1.346 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.649 2.926 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.991 -1.225 2.342 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.872 1.615 3.123 1.00 0.00 H new ATOM 306 N TYR A 21 -2.989 -1.929 -2.663 1.00 0.00 N ATOM 307 CA TYR A 21 -3.702 -3.180 -2.653 1.00 0.00 C ATOM 308 C TYR A 21 -3.192 -3.995 -1.487 1.00 0.00 C ATOM 309 O TYR A 21 -2.058 -4.473 -1.498 1.00 0.00 O ATOM 310 CB TYR A 21 -3.525 -3.921 -3.993 1.00 0.00 C ATOM 311 CG TYR A 21 -4.024 -3.116 -5.184 1.00 0.00 C ATOM 312 CD1 TYR A 21 -3.286 -2.051 -5.701 1.00 0.00 C ATOM 313 CD2 TYR A 21 -5.256 -3.388 -5.762 1.00 0.00 C ATOM 314 CE1 TYR A 21 -3.766 -1.286 -6.746 1.00 0.00 C ATOM 315 CE2 TYR A 21 -5.735 -2.635 -6.815 1.00 0.00 C ATOM 316 CZ TYR A 21 -4.989 -1.582 -7.300 1.00 0.00 C ATOM 317 OH TYR A 21 -5.479 -0.814 -8.332 1.00 0.00 O ATOM 0 H TYR A 21 -1.974 -2.027 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.772 -3.009 -2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.470 -4.156 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.061 -4.869 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.320 -1.820 -5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.851 -4.204 -5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.184 -0.460 -7.126 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.692 -2.870 -7.258 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.442 -0.679 -8.211 1.00 0.00 H new ATOM 327 N VAL A 22 -4.011 -4.097 -0.458 1.00 0.00 N ATOM 328 CA VAL A 22 -3.598 -4.735 0.776 1.00 0.00 C ATOM 329 C VAL A 22 -4.019 -6.191 0.806 1.00 0.00 C ATOM 330 O VAL A 22 -5.207 -6.518 0.742 1.00 0.00 O ATOM 331 CB VAL A 22 -4.154 -3.998 2.020 1.00 0.00 C ATOM 332 CG1 VAL A 22 -5.629 -3.680 1.856 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.911 -4.802 3.294 1.00 0.00 C ATOM 0 H VAL A 22 -4.968 -3.745 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.510 -4.682 0.810 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.615 -3.055 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.991 -3.163 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.769 -3.042 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.188 -4.606 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.312 -4.259 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.407 -5.770 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.840 -4.953 3.430 1.00 0.00 H new ATOM 343 N ASN A 23 -3.032 -7.058 0.878 1.00 0.00 N ATOM 344 CA ASN A 23 -3.275 -8.474 1.047 1.00 0.00 C ATOM 345 C ASN A 23 -3.753 -8.728 2.478 1.00 0.00 C ATOM 346 O ASN A 23 -3.286 -8.085 3.411 1.00 0.00 O ATOM 347 CB ASN A 23 -1.998 -9.259 0.740 1.00 0.00 C ATOM 348 CG ASN A 23 -2.167 -10.756 0.884 1.00 0.00 C ATOM 349 OD1 ASN A 23 -1.884 -11.317 1.936 1.00 0.00 O ATOM 350 ND2 ASN A 23 -2.627 -11.411 -0.166 1.00 0.00 N ATOM 0 H ASN A 23 -2.046 -6.804 0.822 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.048 -8.810 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.676 -9.033 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.204 -8.924 1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.758 -12.421 -0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.851 -10.907 -1.024 1.00 0.00 H new ATOM 357 N HIS A 24 -4.699 -9.631 2.647 1.00 0.00 N ATOM 358 CA HIS A 24 -5.298 -9.878 3.955 1.00 0.00 C ATOM 359 C HIS A 24 -4.676 -11.095 4.630 1.00 0.00 C ATOM 360 O HIS A 24 -4.992 -11.411 5.776 1.00 0.00 O ATOM 361 CB HIS A 24 -6.811 -10.075 3.813 1.00 0.00 C ATOM 362 CG HIS A 24 -7.603 -8.804 3.924 1.00 0.00 C ATOM 363 ND1 HIS A 24 -8.896 -8.767 4.391 1.00 0.00 N ATOM 364 CD2 HIS A 24 -7.276 -7.523 3.630 1.00 0.00 C ATOM 365 CE1 HIS A 24 -9.330 -7.523 4.385 1.00 0.00 C ATOM 366 NE2 HIS A 24 -8.367 -6.747 3.926 1.00 0.00 N ATOM 0 H HIS A 24 -5.074 -10.210 1.896 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.104 -9.008 4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.018 -10.538 2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.150 -10.771 4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.332 -7.177 3.236 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.309 -7.194 4.702 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.425 -5.735 3.810 1.00 0.00 H new ATOM 375 N ASN A 25 -3.782 -11.765 3.917 1.00 0.00 N ATOM 376 CA ASN A 25 -3.143 -12.974 4.424 1.00 0.00 C ATOM 377 C ASN A 25 -1.775 -12.643 5.020 1.00 0.00 C ATOM 378 O ASN A 25 -1.588 -12.682 6.234 1.00 0.00 O ATOM 379 CB ASN A 25 -2.990 -13.995 3.293 1.00 0.00 C ATOM 380 CG ASN A 25 -3.744 -15.278 3.559 1.00 0.00 C ATOM 381 OD1 ASN A 25 -3.271 -16.156 4.281 1.00 0.00 O ATOM 382 ND2 ASN A 25 -4.924 -15.398 2.965 1.00 0.00 N ATOM 0 H ASN A 25 -3.481 -11.491 2.982 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.770 -13.400 5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.347 -13.555 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.933 -14.222 3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.478 -16.244 3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.277 -14.645 2.375 1.00 0.00 H new ATOM 389 N ASN A 26 -0.832 -12.300 4.149 1.00 0.00 N ATOM 390 CA ASN A 26 0.503 -11.872 4.562 1.00 0.00 C ATOM 391 C ASN A 26 0.471 -10.390 4.920 1.00 0.00 C ATOM 392 O ASN A 26 1.364 -9.875 5.596 1.00 0.00 O ATOM 393 CB ASN A 26 1.502 -12.131 3.425 1.00 0.00 C ATOM 394 CG ASN A 26 2.932 -11.744 3.769 1.00 0.00 C ATOM 395 OD1 ASN A 26 3.307 -10.575 3.693 1.00 0.00 O ATOM 396 ND2 ASN A 26 3.745 -12.722 4.137 1.00 0.00 N ATOM 0 H ASN A 26 -0.969 -12.310 3.138 1.00 0.00 H new ATOM 0 HA ASN A 26 0.818 -12.439 5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.474 -13.189 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.187 -11.575 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.717 -12.517 4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.399 -13.680 4.189 1.00 0.00 H new ATOM 403 N ARG A 27 -0.585 -9.725 4.458 1.00 0.00 N ATOM 404 CA ARG A 27 -0.826 -8.308 4.729 1.00 0.00 C ATOM 405 C ARG A 27 0.165 -7.415 3.996 1.00 0.00 C ATOM 406 O ARG A 27 0.570 -6.368 4.502 1.00 0.00 O ATOM 407 CB ARG A 27 -0.819 -8.004 6.230 1.00 0.00 C ATOM 408 CG ARG A 27 -1.754 -8.891 7.032 1.00 0.00 C ATOM 409 CD ARG A 27 -3.111 -8.237 7.211 1.00 0.00 C ATOM 410 NE ARG A 27 -3.029 -7.031 8.030 1.00 0.00 N ATOM 411 CZ ARG A 27 -4.008 -6.588 8.814 1.00 0.00 C ATOM 412 NH1 ARG A 27 -5.163 -7.237 8.883 1.00 0.00 N ATOM 413 NH2 ARG A 27 -3.828 -5.486 9.525 1.00 0.00 N ATOM 0 H ARG A 27 -1.305 -10.158 3.879 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.823 -8.085 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.195 -8.120 6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.100 -6.962 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.873 -9.849 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.315 -9.098 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.525 -7.985 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.797 -8.945 7.675 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.163 -6.492 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.306 -8.083 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.908 -6.890 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.943 -4.982 9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.574 -5.141 10.128 1.00 0.00 H new ATOM 427 N SER A 28 0.553 -7.836 2.804 1.00 0.00 N ATOM 428 CA SER A 28 1.372 -7.014 1.936 1.00 0.00 C ATOM 429 C SER A 28 0.581 -5.790 1.481 1.00 0.00 C ATOM 430 O SER A 28 -0.446 -5.917 0.811 1.00 0.00 O ATOM 431 CB SER A 28 1.818 -7.842 0.734 1.00 0.00 C ATOM 432 OG SER A 28 1.498 -9.212 0.930 1.00 0.00 O ATOM 0 H SER A 28 0.311 -8.748 2.416 1.00 0.00 H new ATOM 0 HA SER A 28 2.253 -6.671 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.332 -7.474 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.892 -7.730 0.586 1.00 0.00 H new ATOM 0 HG SER A 28 1.788 -9.730 0.151 1.00 0.00 H new ATOM 438 N THR A 29 1.047 -4.615 1.869 1.00 0.00 N ATOM 439 CA THR A 29 0.370 -3.372 1.539 1.00 0.00 C ATOM 440 C THR A 29 1.165 -2.595 0.498 1.00 0.00 C ATOM 441 O THR A 29 1.889 -1.652 0.818 1.00 0.00 O ATOM 442 CB THR A 29 0.172 -2.508 2.797 1.00 0.00 C ATOM 443 OG1 THR A 29 0.826 -3.125 3.917 1.00 0.00 O ATOM 444 CG2 THR A 29 -1.300 -2.338 3.106 1.00 0.00 C ATOM 0 H THR A 29 1.899 -4.496 2.417 1.00 0.00 H new ATOM 0 HA THR A 29 -0.609 -3.619 1.128 1.00 0.00 H new ATOM 0 HB THR A 29 0.606 -1.526 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.699 -2.571 4.716 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.416 -1.724 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.795 -1.852 2.265 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.751 -3.315 3.277 1.00 0.00 H new ATOM 452 N GLN A 30 1.028 -3.009 -0.747 1.00 0.00 N ATOM 453 CA GLN A 30 1.811 -2.443 -1.834 1.00 0.00 C ATOM 454 C GLN A 30 0.946 -1.528 -2.688 1.00 0.00 C ATOM 455 O GLN A 30 -0.274 -1.669 -2.714 1.00 0.00 O ATOM 456 CB GLN A 30 2.425 -3.554 -2.699 1.00 0.00 C ATOM 457 CG GLN A 30 1.534 -4.772 -2.879 1.00 0.00 C ATOM 458 CD GLN A 30 0.815 -4.762 -4.204 1.00 0.00 C ATOM 459 OE1 GLN A 30 0.130 -3.804 -4.548 1.00 0.00 O ATOM 460 NE2 GLN A 30 0.980 -5.824 -4.964 1.00 0.00 N ATOM 0 H GLN A 30 0.378 -3.740 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 30 2.622 -1.857 -1.402 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.663 -3.144 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.366 -3.870 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.138 -5.676 -2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.803 -4.808 -2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.558 -6.599 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.530 -5.872 -5.878 1.00 0.00 H new ATOM 469 N TRP A 31 1.575 -0.595 -3.382 1.00 0.00 N ATOM 470 CA TRP A 31 0.862 0.289 -4.276 1.00 0.00 C ATOM 471 C TRP A 31 1.218 -0.012 -5.732 1.00 0.00 C ATOM 472 O TRP A 31 1.250 0.891 -6.566 1.00 0.00 O ATOM 473 CB TRP A 31 1.162 1.767 -3.956 1.00 0.00 C ATOM 474 CG TRP A 31 1.734 2.024 -2.586 1.00 0.00 C ATOM 475 CD1 TRP A 31 2.973 1.684 -2.146 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.105 2.709 -1.497 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.142 2.063 -0.842 1.00 0.00 N ATOM 478 CE2 TRP A 31 2.012 2.705 -0.420 1.00 0.00 C ATOM 479 CE3 TRP A 31 -0.137 3.313 -1.321 1.00 0.00 C ATOM 480 CZ2 TRP A 31 1.714 3.282 0.811 1.00 0.00 C ATOM 481 CZ3 TRP A 31 -0.430 3.888 -0.102 1.00 0.00 C ATOM 482 CH2 TRP A 31 0.491 3.870 0.951 1.00 0.00 C ATOM 0 H TRP A 31 2.581 -0.433 -3.340 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.204 0.115 -4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.860 2.149 -4.701 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.240 2.339 -4.060 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.721 1.184 -2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 31 3.975 1.894 -0.278 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.858 3.331 -2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 2.424 3.265 1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.390 4.362 0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.229 4.330 1.892 1.00 0.00 H new ATOM 493 N HIS A 32 1.502 -1.280 -6.046 1.00 0.00 N ATOM 494 CA HIS A 32 1.816 -1.642 -7.431 1.00 0.00 C ATOM 495 C HIS A 32 0.869 -2.708 -7.968 1.00 0.00 C ATOM 496 O HIS A 32 1.023 -3.153 -9.106 1.00 0.00 O ATOM 497 CB HIS A 32 3.276 -2.099 -7.603 1.00 0.00 C ATOM 498 CG HIS A 32 3.770 -3.095 -6.594 1.00 0.00 C ATOM 499 ND1 HIS A 32 3.419 -4.430 -6.599 1.00 0.00 N ATOM 500 CD2 HIS A 32 4.628 -2.941 -5.560 1.00 0.00 C ATOM 501 CE1 HIS A 32 4.044 -5.047 -5.610 1.00 0.00 C ATOM 502 NE2 HIS A 32 4.785 -4.167 -4.966 1.00 0.00 N ATOM 0 H HIS A 32 1.521 -2.053 -5.381 1.00 0.00 H new ATOM 0 HA HIS A 32 1.679 -0.732 -8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.387 -2.531 -8.597 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.919 -1.220 -7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.103 -2.020 -5.257 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.961 -6.097 -5.370 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.377 -4.365 -4.159 1.00 0.00 H new ATOM 511 N ARG A 33 -0.097 -3.109 -7.140 1.00 0.00 N ATOM 512 CA ARG A 33 -1.096 -4.118 -7.512 1.00 0.00 C ATOM 513 C ARG A 33 -0.457 -5.501 -7.650 1.00 0.00 C ATOM 514 O ARG A 33 0.638 -5.645 -8.191 1.00 0.00 O ATOM 515 CB ARG A 33 -1.811 -3.714 -8.804 1.00 0.00 C ATOM 516 CG ARG A 33 -3.218 -4.265 -8.931 1.00 0.00 C ATOM 517 CD ARG A 33 -3.755 -4.046 -10.329 1.00 0.00 C ATOM 518 NE ARG A 33 -5.167 -3.672 -10.337 1.00 0.00 N ATOM 519 CZ ARG A 33 -5.629 -2.539 -10.860 1.00 0.00 C ATOM 520 NH1 ARG A 33 -4.800 -1.698 -11.471 1.00 0.00 N ATOM 521 NH2 ARG A 33 -6.926 -2.256 -10.789 1.00 0.00 N ATOM 0 H ARG A 33 -0.211 -2.746 -6.194 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.836 -4.173 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.852 -2.626 -8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.221 -4.054 -9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.219 -5.330 -8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.871 -3.780 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.174 -3.265 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.621 -4.957 -10.912 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.837 -4.316 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.807 -1.921 -11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.157 -0.830 -11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.566 -2.907 -10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.281 -1.388 -11.190 1.00 0.00 H new ATOM 535 N PRO A 34 -1.111 -6.536 -7.103 1.00 0.00 N ATOM 536 CA PRO A 34 -0.604 -7.913 -7.155 1.00 0.00 C ATOM 537 C PRO A 34 -0.594 -8.496 -8.567 1.00 0.00 C ATOM 538 O PRO A 34 -1.587 -9.064 -9.029 1.00 0.00 O ATOM 539 CB PRO A 34 -1.578 -8.692 -6.271 1.00 0.00 C ATOM 540 CG PRO A 34 -2.824 -7.880 -6.262 1.00 0.00 C ATOM 541 CD PRO A 34 -2.385 -6.449 -6.367 1.00 0.00 C ATOM 0 HA PRO A 34 0.434 -7.963 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.760 -9.690 -6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.182 -8.818 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.473 -8.151 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.393 -8.048 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.117 -5.842 -6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.251 -5.996 -5.384 1.00 0.00 H new