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 23 ASN : amide:sc= 0.259 K(o=0.32,f=-9!) USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0576 X(o=0.32,f=-0.1) USER MOD Set 1.3: A 26 ASN : amide:sc= 0 X(o=0.32,f=0.41) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= -0.0194 (180deg=-0.242) USER MOD Single : A 15 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.57) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -128:sc= 0.909 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 30 GLN : amide:sc= -3.37! C(o=-3.4!,f=-1.6!) USER MOD Single : A 32 HIS : no HD1:sc= -0.452 K(o=-0.45,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -7.231 -10.384 -9.099 1.00 0.00 N ATOM 50 CA LEU A 5 -6.600 -10.188 -7.804 1.00 0.00 C ATOM 51 C LEU A 5 -6.633 -11.490 -7.012 1.00 0.00 C ATOM 52 O LEU A 5 -7.680 -12.136 -6.922 1.00 0.00 O ATOM 53 CB LEU A 5 -7.324 -9.085 -7.028 1.00 0.00 C ATOM 54 CG LEU A 5 -6.426 -8.042 -6.363 1.00 0.00 C ATOM 55 CD1 LEU A 5 -5.527 -7.369 -7.386 1.00 0.00 C ATOM 56 CD2 LEU A 5 -7.273 -7.008 -5.640 1.00 0.00 C ATOM 0 HA LEU A 5 -5.563 -9.888 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.002 -8.572 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.939 -9.552 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.791 -8.549 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.898 -6.631 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.897 -8.118 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.140 -6.874 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.623 -6.270 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.929 -6.511 -6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.875 -7.500 -4.876 1.00 0.00 H new ATOM 68 N PRO A 6 -5.491 -11.905 -6.447 1.00 0.00 N ATOM 69 CA PRO A 6 -5.407 -13.133 -5.650 1.00 0.00 C ATOM 70 C PRO A 6 -6.265 -13.052 -4.389 1.00 0.00 C ATOM 71 O PRO A 6 -6.503 -11.963 -3.859 1.00 0.00 O ATOM 72 CB PRO A 6 -3.919 -13.241 -5.289 1.00 0.00 C ATOM 73 CG PRO A 6 -3.221 -12.324 -6.234 1.00 0.00 C ATOM 74 CD PRO A 6 -4.194 -11.221 -6.533 1.00 0.00 C ATOM 0 HA PRO A 6 -5.777 -14.000 -6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.743 -12.949 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.561 -14.265 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.307 -11.929 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.933 -12.848 -7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.117 -10.406 -5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.028 -10.790 -7.520 1.00 0.00 H new ATOM 82 N PRO A 7 -6.753 -14.204 -3.904 1.00 0.00 N ATOM 83 CA PRO A 7 -7.620 -14.266 -2.719 1.00 0.00 C ATOM 84 C PRO A 7 -6.974 -13.633 -1.487 1.00 0.00 C ATOM 85 O PRO A 7 -5.975 -14.135 -0.964 1.00 0.00 O ATOM 86 CB PRO A 7 -7.831 -15.767 -2.503 1.00 0.00 C ATOM 87 CG PRO A 7 -7.557 -16.392 -3.825 1.00 0.00 C ATOM 88 CD PRO A 7 -6.503 -15.541 -4.473 1.00 0.00 C ATOM 0 HA PRO A 7 -8.546 -13.711 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.158 -16.153 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.847 -15.978 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.212 -17.419 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.460 -16.427 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.499 -15.896 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.597 -15.541 -5.559 1.00 0.00 H new ATOM 96 N GLY A 8 -7.554 -12.530 -1.035 1.00 0.00 N ATOM 97 CA GLY A 8 -7.029 -11.826 0.116 1.00 0.00 C ATOM 98 C GLY A 8 -6.737 -10.376 -0.193 1.00 0.00 C ATOM 99 O GLY A 8 -6.723 -9.536 0.700 1.00 0.00 O ATOM 0 H GLY A 8 -8.385 -12.108 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.746 -11.885 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.116 -12.316 0.455 1.00 0.00 H new ATOM 103 N TRP A 9 -6.520 -10.076 -1.459 1.00 0.00 N ATOM 104 CA TRP A 9 -6.130 -8.734 -1.861 1.00 0.00 C ATOM 105 C TRP A 9 -7.343 -7.828 -2.046 1.00 0.00 C ATOM 106 O TRP A 9 -8.308 -8.196 -2.715 1.00 0.00 O ATOM 107 CB TRP A 9 -5.319 -8.798 -3.149 1.00 0.00 C ATOM 108 CG TRP A 9 -3.980 -9.434 -2.965 1.00 0.00 C ATOM 109 CD1 TRP A 9 -3.679 -10.761 -3.054 1.00 0.00 C ATOM 110 CD2 TRP A 9 -2.764 -8.770 -2.645 1.00 0.00 C ATOM 111 NE1 TRP A 9 -2.340 -10.959 -2.825 1.00 0.00 N ATOM 112 CE2 TRP A 9 -1.756 -9.748 -2.565 1.00 0.00 C ATOM 113 CE3 TRP A 9 -2.430 -7.440 -2.420 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -0.433 -9.431 -2.272 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.123 -7.126 -2.131 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.136 -8.116 -2.057 1.00 0.00 C ATOM 0 H TRP A 9 -6.606 -10.741 -2.228 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.518 -8.307 -1.066 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.880 -9.357 -3.898 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.185 -7.789 -3.538 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -4.391 -11.543 -3.273 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.860 -11.859 -2.845 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.183 -6.667 -2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.328 -10.195 -2.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -0.852 -6.095 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.880 -7.834 -1.825 1.00 0.00 H new ATOM 127 N GLU A 10 -7.286 -6.649 -1.443 1.00 0.00 N ATOM 128 CA GLU A 10 -8.360 -5.671 -1.565 1.00 0.00 C ATOM 129 C GLU A 10 -7.789 -4.308 -1.955 1.00 0.00 C ATOM 130 O GLU A 10 -6.622 -4.021 -1.689 1.00 0.00 O ATOM 131 CB GLU A 10 -9.122 -5.566 -0.239 1.00 0.00 C ATOM 132 CG GLU A 10 -10.604 -5.237 -0.388 1.00 0.00 C ATOM 133 CD GLU A 10 -11.245 -5.897 -1.592 1.00 0.00 C ATOM 134 OE1 GLU A 10 -11.622 -7.087 -1.499 1.00 0.00 O ATOM 135 OE2 GLU A 10 -11.384 -5.224 -2.637 1.00 0.00 O ATOM 0 H GLU A 10 -6.505 -6.345 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.049 -5.996 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.024 -6.509 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.652 -4.799 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.131 -5.550 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.723 -4.156 -0.468 1.00 0.00 H new ATOM 142 N GLU A 11 -8.608 -3.478 -2.587 1.00 0.00 N ATOM 143 CA GLU A 11 -8.180 -2.144 -3.006 1.00 0.00 C ATOM 144 C GLU A 11 -8.334 -1.148 -1.856 1.00 0.00 C ATOM 145 O GLU A 11 -9.427 -0.984 -1.315 1.00 0.00 O ATOM 146 CB GLU A 11 -9.003 -1.680 -4.207 1.00 0.00 C ATOM 147 CG GLU A 11 -8.207 -0.925 -5.255 1.00 0.00 C ATOM 148 CD GLU A 11 -9.009 -0.687 -6.515 1.00 0.00 C ATOM 149 OE1 GLU A 11 -10.002 0.076 -6.462 1.00 0.00 O ATOM 150 OE2 GLU A 11 -8.662 -1.272 -7.566 1.00 0.00 O ATOM 0 H GLU A 11 -9.575 -3.703 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.129 -2.192 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.464 -2.550 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.813 -1.042 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.884 0.032 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.306 -1.487 -5.500 1.00 0.00 H new ATOM 157 N LYS A 12 -7.240 -0.504 -1.471 1.00 0.00 N ATOM 158 CA LYS A 12 -7.270 0.463 -0.380 1.00 0.00 C ATOM 159 C LYS A 12 -6.514 1.736 -0.748 1.00 0.00 C ATOM 160 O LYS A 12 -5.503 1.681 -1.444 1.00 0.00 O ATOM 161 CB LYS A 12 -6.653 -0.147 0.877 1.00 0.00 C ATOM 162 CG LYS A 12 -7.642 -0.339 2.014 1.00 0.00 C ATOM 163 CD LYS A 12 -6.963 -0.208 3.367 1.00 0.00 C ATOM 164 CE LYS A 12 -7.973 -0.240 4.503 1.00 0.00 C ATOM 165 NZ LYS A 12 -8.869 0.946 4.482 1.00 0.00 N ATOM 0 H LYS A 12 -6.322 -0.633 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.312 0.721 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.213 -1.112 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.840 0.494 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.440 0.399 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.107 -1.322 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.245 -1.018 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.401 0.725 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.571 -1.148 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.446 -0.280 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.351 1.033 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.307 1.803 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.577 0.833 3.728 1.00 0.00 H new ATOM 179 N VAL A 13 -6.998 2.878 -0.282 1.00 0.00 N ATOM 180 CA VAL A 13 -6.254 4.123 -0.413 1.00 0.00 C ATOM 181 C VAL A 13 -5.563 4.436 0.911 1.00 0.00 C ATOM 182 O VAL A 13 -6.188 4.369 1.968 1.00 0.00 O ATOM 183 CB VAL A 13 -7.161 5.306 -0.841 1.00 0.00 C ATOM 184 CG1 VAL A 13 -6.466 6.645 -0.626 1.00 0.00 C ATOM 185 CG2 VAL A 13 -7.566 5.165 -2.298 1.00 0.00 C ATOM 0 H VAL A 13 -7.899 2.969 0.188 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.512 3.993 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.054 5.279 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.129 7.453 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.220 6.762 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.551 6.679 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.202 6.003 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.674 5.158 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.113 4.232 -2.435 1.00 0.00 H new ATOM 195 N ASP A 14 -4.270 4.744 0.844 1.00 0.00 N ATOM 196 CA ASP A 14 -3.458 4.989 2.040 1.00 0.00 C ATOM 197 C ASP A 14 -3.988 6.169 2.848 1.00 0.00 C ATOM 198 O ASP A 14 -4.501 5.995 3.954 1.00 0.00 O ATOM 199 CB ASP A 14 -2.003 5.238 1.637 1.00 0.00 C ATOM 200 CG ASP A 14 -1.154 5.779 2.772 1.00 0.00 C ATOM 201 OD1 ASP A 14 -1.112 5.145 3.844 1.00 0.00 O ATOM 202 OD2 ASP A 14 -0.517 6.840 2.583 1.00 0.00 O ATOM 0 H ASP A 14 -3.756 4.831 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.515 4.103 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.567 4.306 1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.978 5.942 0.805 1.00 0.00 H new ATOM 207 N ASN A 15 -3.866 7.365 2.295 1.00 0.00 N ATOM 208 CA ASN A 15 -4.345 8.560 2.974 1.00 0.00 C ATOM 209 C ASN A 15 -5.263 9.368 2.058 1.00 0.00 C ATOM 210 O ASN A 15 -6.389 9.683 2.435 1.00 0.00 O ATOM 211 CB ASN A 15 -3.160 9.393 3.507 1.00 0.00 C ATOM 212 CG ASN A 15 -3.009 10.754 2.852 1.00 0.00 C ATOM 213 OD1 ASN A 15 -2.345 10.889 1.822 1.00 0.00 O ATOM 214 ND2 ASN A 15 -3.615 11.769 3.446 1.00 0.00 N ATOM 0 H ASN A 15 -3.442 7.535 1.383 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.940 8.263 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.282 9.531 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.239 8.828 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.542 12.707 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.155 11.613 4.297 1.00 0.00 H new ATOM 221 N LEU A 16 -4.799 9.677 0.849 1.00 0.00 N ATOM 222 CA LEU A 16 -5.613 10.401 -0.118 1.00 0.00 C ATOM 223 C LEU A 16 -4.947 10.427 -1.487 1.00 0.00 C ATOM 224 O LEU A 16 -4.449 11.463 -1.927 1.00 0.00 O ATOM 225 CB LEU A 16 -5.863 11.835 0.347 1.00 0.00 C ATOM 226 CG LEU A 16 -7.217 12.416 -0.063 1.00 0.00 C ATOM 227 CD1 LEU A 16 -7.955 12.962 1.146 1.00 0.00 C ATOM 228 CD2 LEU A 16 -7.037 13.501 -1.117 1.00 0.00 C ATOM 0 H LEU A 16 -3.865 9.437 0.518 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.565 9.877 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.783 11.869 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.074 12.474 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.816 11.614 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.916 13.370 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.120 12.159 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.361 13.749 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.011 13.902 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.417 14.301 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.554 13.077 -1.997 1.00 0.00 H new ATOM 240 N GLY A 17 -4.923 9.286 -2.148 1.00 0.00 N ATOM 241 CA GLY A 17 -4.457 9.248 -3.517 1.00 0.00 C ATOM 242 C GLY A 17 -3.693 7.987 -3.873 1.00 0.00 C ATOM 243 O GLY A 17 -3.760 7.527 -5.011 1.00 0.00 O ATOM 0 H GLY A 17 -5.216 8.387 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.314 9.342 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.817 10.112 -3.696 1.00 0.00 H new ATOM 247 N ARG A 18 -2.956 7.429 -2.922 1.00 0.00 N ATOM 248 CA ARG A 18 -2.216 6.199 -3.190 1.00 0.00 C ATOM 249 C ARG A 18 -3.141 5.001 -3.071 1.00 0.00 C ATOM 250 O ARG A 18 -3.366 4.473 -1.979 1.00 0.00 O ATOM 251 CB ARG A 18 -1.000 6.026 -2.268 1.00 0.00 C ATOM 252 CG ARG A 18 -0.957 6.991 -1.095 1.00 0.00 C ATOM 253 CD ARG A 18 0.415 7.008 -0.441 1.00 0.00 C ATOM 254 NE ARG A 18 1.097 8.282 -0.644 1.00 0.00 N ATOM 255 CZ ARG A 18 1.138 9.261 0.261 1.00 0.00 C ATOM 256 NH1 ARG A 18 0.607 9.084 1.468 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.720 10.418 -0.037 1.00 0.00 N ATOM 0 H ARG A 18 -2.854 7.797 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.833 6.269 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.993 5.006 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.092 6.150 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.211 7.994 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.709 6.706 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.311 6.818 0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.023 6.201 -0.851 1.00 0.00 H new ATOM 0 HE ARG A 18 1.572 8.433 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.165 8.196 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.642 9.836 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.135 10.558 -0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.751 11.166 0.655 1.00 0.00 H new ATOM 271 N THR A 19 -3.707 4.612 -4.199 1.00 0.00 N ATOM 272 CA THR A 19 -4.559 3.441 -4.273 1.00 0.00 C ATOM 273 C THR A 19 -3.715 2.180 -4.391 1.00 0.00 C ATOM 274 O THR A 19 -3.231 1.835 -5.472 1.00 0.00 O ATOM 275 CB THR A 19 -5.515 3.530 -5.473 1.00 0.00 C ATOM 276 OG1 THR A 19 -5.680 4.904 -5.854 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.868 2.923 -5.137 1.00 0.00 C ATOM 0 H THR A 19 -3.589 5.098 -5.088 1.00 0.00 H new ATOM 0 HA THR A 19 -5.149 3.399 -3.357 1.00 0.00 H new ATOM 0 HB THR A 19 -5.084 2.967 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.288 4.960 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.526 2.999 -6.003 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.740 1.874 -4.869 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.310 3.460 -4.298 1.00 0.00 H new ATOM 285 N TYR A 20 -3.524 1.511 -3.272 1.00 0.00 N ATOM 286 CA TYR A 20 -2.718 0.312 -3.239 1.00 0.00 C ATOM 287 C TYR A 20 -3.591 -0.909 -3.043 1.00 0.00 C ATOM 288 O TYR A 20 -4.815 -0.808 -2.935 1.00 0.00 O ATOM 289 CB TYR A 20 -1.667 0.388 -2.130 1.00 0.00 C ATOM 290 CG TYR A 20 -2.228 0.477 -0.727 1.00 0.00 C ATOM 291 CD1 TYR A 20 -2.579 1.700 -0.172 1.00 0.00 C ATOM 292 CD2 TYR A 20 -2.383 -0.660 0.054 1.00 0.00 C ATOM 293 CE1 TYR A 20 -3.065 1.784 1.117 1.00 0.00 C ATOM 294 CE2 TYR A 20 -2.874 -0.582 1.341 1.00 0.00 C ATOM 295 CZ TYR A 20 -3.209 0.643 1.869 1.00 0.00 C ATOM 296 OH TYR A 20 -3.686 0.727 3.158 1.00 0.00 O ATOM 0 H TYR A 20 -3.919 1.780 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.203 0.228 -4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.027 -0.492 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.033 1.257 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.470 2.600 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.114 -1.623 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.331 2.744 1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.995 -1.479 1.931 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.728 -0.170 3.550 1.00 0.00 H new ATOM 306 N TYR A 21 -2.958 -2.060 -2.985 1.00 0.00 N ATOM 307 CA TYR A 21 -3.668 -3.300 -2.797 1.00 0.00 C ATOM 308 C TYR A 21 -3.193 -3.963 -1.523 1.00 0.00 C ATOM 309 O TYR A 21 -1.999 -4.205 -1.344 1.00 0.00 O ATOM 310 CB TYR A 21 -3.476 -4.205 -4.009 1.00 0.00 C ATOM 311 CG TYR A 21 -4.179 -3.678 -5.241 1.00 0.00 C ATOM 312 CD1 TYR A 21 -3.566 -2.760 -6.089 1.00 0.00 C ATOM 313 CD2 TYR A 21 -5.472 -4.082 -5.541 1.00 0.00 C ATOM 314 CE1 TYR A 21 -4.225 -2.267 -7.199 1.00 0.00 C ATOM 315 CE2 TYR A 21 -6.133 -3.598 -6.651 1.00 0.00 C ATOM 316 CZ TYR A 21 -5.508 -2.690 -7.474 1.00 0.00 C ATOM 317 OH TYR A 21 -6.168 -2.204 -8.577 1.00 0.00 O ATOM 0 H TYR A 21 -1.946 -2.160 -3.066 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.736 -3.104 -2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.411 -4.307 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.852 -5.202 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.561 -2.428 -5.876 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.970 -4.788 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.738 -1.554 -7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.136 -3.930 -6.873 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.046 -1.862 -8.308 1.00 0.00 H new ATOM 327 N VAL A 22 -4.128 -4.218 -0.632 1.00 0.00 N ATOM 328 CA VAL A 22 -3.805 -4.739 0.679 1.00 0.00 C ATOM 329 C VAL A 22 -4.152 -6.215 0.776 1.00 0.00 C ATOM 330 O VAL A 22 -5.314 -6.608 0.644 1.00 0.00 O ATOM 331 CB VAL A 22 -4.530 -3.952 1.801 1.00 0.00 C ATOM 332 CG1 VAL A 22 -6.004 -3.764 1.482 1.00 0.00 C ATOM 333 CG2 VAL A 22 -4.358 -4.635 3.154 1.00 0.00 C ATOM 0 H VAL A 22 -5.124 -4.072 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.731 -4.618 0.817 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.068 -2.966 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.483 -3.209 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.107 -3.210 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.481 -4.739 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.877 -4.060 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.776 -5.641 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.298 -4.693 3.400 1.00 0.00 H new ATOM 343 N ASN A 23 -3.136 -7.033 0.972 1.00 0.00 N ATOM 344 CA ASN A 23 -3.351 -8.443 1.226 1.00 0.00 C ATOM 345 C ASN A 23 -3.922 -8.611 2.632 1.00 0.00 C ATOM 346 O ASN A 23 -3.288 -8.234 3.609 1.00 0.00 O ATOM 347 CB ASN A 23 -2.041 -9.223 1.094 1.00 0.00 C ATOM 348 CG ASN A 23 -2.253 -10.724 0.985 1.00 0.00 C ATOM 349 OD1 ASN A 23 -3.187 -11.276 1.567 1.00 0.00 O ATOM 350 ND2 ASN A 23 -1.375 -11.398 0.260 1.00 0.00 N ATOM 0 H ASN A 23 -2.157 -6.746 0.960 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.053 -8.837 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.503 -8.873 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.410 -9.012 1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.459 -12.410 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.614 -10.905 -0.208 1.00 0.00 H new ATOM 357 N HIS A 24 -5.122 -9.150 2.741 1.00 0.00 N ATOM 358 CA HIS A 24 -5.768 -9.309 4.042 1.00 0.00 C ATOM 359 C HIS A 24 -5.145 -10.455 4.824 1.00 0.00 C ATOM 360 O HIS A 24 -5.313 -10.557 6.036 1.00 0.00 O ATOM 361 CB HIS A 24 -7.268 -9.554 3.868 1.00 0.00 C ATOM 362 CG HIS A 24 -8.059 -8.296 3.693 1.00 0.00 C ATOM 363 ND1 HIS A 24 -9.377 -8.175 4.070 1.00 0.00 N ATOM 364 CD2 HIS A 24 -7.705 -7.096 3.177 1.00 0.00 C ATOM 365 CE1 HIS A 24 -9.804 -6.957 3.794 1.00 0.00 C ATOM 366 NE2 HIS A 24 -8.808 -6.282 3.253 1.00 0.00 N ATOM 0 H HIS A 24 -5.672 -9.486 1.951 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.620 -8.386 4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.426 -10.197 3.002 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.644 -10.093 4.738 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.737 -6.829 2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.798 -6.578 3.979 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.851 -5.312 2.941 1.00 0.00 H new ATOM 375 N ASN A 25 -4.419 -11.307 4.119 1.00 0.00 N ATOM 376 CA ASN A 25 -3.822 -12.485 4.724 1.00 0.00 C ATOM 377 C ASN A 25 -2.335 -12.282 5.027 1.00 0.00 C ATOM 378 O ASN A 25 -1.865 -12.640 6.106 1.00 0.00 O ATOM 379 CB ASN A 25 -4.065 -13.704 3.815 1.00 0.00 C ATOM 380 CG ASN A 25 -2.797 -14.348 3.283 1.00 0.00 C ATOM 381 OD1 ASN A 25 -2.102 -15.070 3.995 1.00 0.00 O ATOM 382 ND2 ASN A 25 -2.503 -14.098 2.013 1.00 0.00 N ATOM 0 H ASN A 25 -4.229 -11.203 3.122 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.301 -12.666 5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.632 -14.450 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.684 -13.397 2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.672 -14.512 1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.109 -13.492 1.459 1.00 0.00 H new ATOM 389 N ASN A 26 -1.598 -11.684 4.097 1.00 0.00 N ATOM 390 CA ASN A 26 -0.155 -11.512 4.276 1.00 0.00 C ATOM 391 C ASN A 26 0.224 -10.040 4.427 1.00 0.00 C ATOM 392 O ASN A 26 1.395 -9.706 4.596 1.00 0.00 O ATOM 393 CB ASN A 26 0.597 -12.128 3.096 1.00 0.00 C ATOM 394 CG ASN A 26 1.493 -13.279 3.513 1.00 0.00 C ATOM 395 OD1 ASN A 26 1.030 -14.260 4.095 1.00 0.00 O ATOM 396 ND2 ASN A 26 2.780 -13.164 3.226 1.00 0.00 N ATOM 0 H ASN A 26 -1.967 -11.313 3.221 1.00 0.00 H new ATOM 0 HA ASN A 26 0.129 -12.024 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.122 -12.481 2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.200 -11.359 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.429 -13.906 3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.122 -12.334 2.742 1.00 0.00 H new ATOM 403 N ARG A 27 -0.797 -9.183 4.388 1.00 0.00 N ATOM 404 CA ARG A 27 -0.661 -7.718 4.502 1.00 0.00 C ATOM 405 C ARG A 27 0.567 -7.156 3.783 1.00 0.00 C ATOM 406 O ARG A 27 1.358 -6.416 4.368 1.00 0.00 O ATOM 407 CB ARG A 27 -0.682 -7.248 5.967 1.00 0.00 C ATOM 408 CG ARG A 27 -0.478 -8.345 6.998 1.00 0.00 C ATOM 409 CD ARG A 27 -1.761 -8.628 7.758 1.00 0.00 C ATOM 410 NE ARG A 27 -2.080 -10.052 7.792 1.00 0.00 N ATOM 411 CZ ARG A 27 -3.051 -10.579 8.536 1.00 0.00 C ATOM 412 NH1 ARG A 27 -3.727 -9.817 9.389 1.00 0.00 N ATOM 413 NH2 ARG A 27 -3.318 -11.874 8.450 1.00 0.00 N ATOM 0 H ARG A 27 -1.764 -9.487 4.274 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.537 -7.316 3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.094 -6.495 6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.637 -6.760 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.137 -9.254 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.305 -8.050 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.667 -8.254 8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.584 -8.084 7.294 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.526 -10.681 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.503 -8.826 9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.470 -10.223 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.781 -12.464 7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.061 -12.280 9.019 1.00 0.00 H new ATOM 427 N SER A 28 0.725 -7.514 2.518 1.00 0.00 N ATOM 428 CA SER A 28 1.722 -6.897 1.662 1.00 0.00 C ATOM 429 C SER A 28 1.141 -5.623 1.049 1.00 0.00 C ATOM 430 O SER A 28 0.708 -5.612 -0.103 1.00 0.00 O ATOM 431 CB SER A 28 2.139 -7.888 0.576 1.00 0.00 C ATOM 432 OG SER A 28 1.588 -9.174 0.837 1.00 0.00 O ATOM 0 H SER A 28 0.169 -8.236 2.060 1.00 0.00 H new ATOM 0 HA SER A 28 2.605 -6.630 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.802 -7.532 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.226 -7.953 0.533 1.00 0.00 H new ATOM 0 HG SER A 28 1.863 -9.797 0.132 1.00 0.00 H new ATOM 438 N THR A 29 1.114 -4.561 1.841 1.00 0.00 N ATOM 439 CA THR A 29 0.467 -3.312 1.461 1.00 0.00 C ATOM 440 C THR A 29 1.304 -2.519 0.454 1.00 0.00 C ATOM 441 O THR A 29 1.917 -1.506 0.794 1.00 0.00 O ATOM 442 CB THR A 29 0.229 -2.463 2.719 1.00 0.00 C ATOM 443 OG1 THR A 29 1.164 -2.853 3.736 1.00 0.00 O ATOM 444 CG2 THR A 29 -1.185 -2.653 3.242 1.00 0.00 C ATOM 0 H THR A 29 1.541 -4.540 2.767 1.00 0.00 H new ATOM 0 HA THR A 29 -0.482 -3.554 0.982 1.00 0.00 H new ATOM 0 HB THR A 29 0.366 -1.413 2.460 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.017 -2.313 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.329 -2.042 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.900 -2.352 2.476 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.342 -3.702 3.493 1.00 0.00 H new ATOM 452 N GLN A 30 1.346 -2.998 -0.781 1.00 0.00 N ATOM 453 CA GLN A 30 2.123 -2.346 -1.828 1.00 0.00 C ATOM 454 C GLN A 30 1.220 -1.605 -2.813 1.00 0.00 C ATOM 455 O GLN A 30 0.127 -2.076 -3.140 1.00 0.00 O ATOM 456 CB GLN A 30 2.978 -3.376 -2.564 1.00 0.00 C ATOM 457 CG GLN A 30 2.232 -4.646 -2.932 1.00 0.00 C ATOM 458 CD GLN A 30 3.120 -5.656 -3.586 1.00 0.00 C ATOM 459 OE1 GLN A 30 4.145 -6.058 -3.037 1.00 0.00 O ATOM 460 NE2 GLN A 30 2.735 -6.068 -4.766 1.00 0.00 N ATOM 0 H GLN A 30 0.851 -3.837 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 30 2.775 -1.611 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.373 -2.922 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.833 -3.637 -1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.792 -5.080 -2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.409 -4.400 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.876 -5.704 -5.178 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.294 -6.754 -5.274 1.00 0.00 H new ATOM 469 N TRP A 31 1.684 -0.454 -3.305 1.00 0.00 N ATOM 470 CA TRP A 31 0.874 0.362 -4.208 1.00 0.00 C ATOM 471 C TRP A 31 1.239 0.110 -5.669 1.00 0.00 C ATOM 472 O TRP A 31 0.852 0.880 -6.551 1.00 0.00 O ATOM 473 CB TRP A 31 1.016 1.868 -3.917 1.00 0.00 C ATOM 474 CG TRP A 31 1.993 2.226 -2.835 1.00 0.00 C ATOM 475 CD1 TRP A 31 3.350 2.224 -2.941 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.697 2.675 -1.505 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.920 2.605 -1.753 1.00 0.00 N ATOM 478 CE2 TRP A 31 2.927 2.893 -0.858 1.00 0.00 C ATOM 479 CE3 TRP A 31 0.515 2.903 -0.793 1.00 0.00 C ATOM 480 CZ2 TRP A 31 3.008 3.328 0.462 1.00 0.00 C ATOM 481 CZ3 TRP A 31 0.598 3.338 0.515 1.00 0.00 C ATOM 482 CH2 TRP A 31 1.837 3.545 1.132 1.00 0.00 C ATOM 0 H TRP A 31 2.606 -0.070 -3.096 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.160 0.065 -4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.317 2.371 -4.836 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.037 2.262 -3.644 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.899 1.960 -3.833 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.921 2.664 -1.567 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.446 2.742 -1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.963 3.488 0.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.309 3.522 1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.868 3.883 2.157 1.00 0.00 H new ATOM 493 N HIS A 32 1.974 -0.961 -5.939 1.00 0.00 N ATOM 494 CA HIS A 32 2.328 -1.287 -7.319 1.00 0.00 C ATOM 495 C HIS A 32 1.534 -2.488 -7.801 1.00 0.00 C ATOM 496 O HIS A 32 1.875 -3.090 -8.819 1.00 0.00 O ATOM 497 CB HIS A 32 3.837 -1.554 -7.511 1.00 0.00 C ATOM 498 CG HIS A 32 4.550 -2.163 -6.342 1.00 0.00 C ATOM 499 ND1 HIS A 32 4.839 -3.509 -6.249 1.00 0.00 N ATOM 500 CD2 HIS A 32 5.077 -1.593 -5.233 1.00 0.00 C ATOM 501 CE1 HIS A 32 5.507 -3.738 -5.133 1.00 0.00 C ATOM 502 NE2 HIS A 32 5.665 -2.592 -4.501 1.00 0.00 N ATOM 0 H HIS A 32 2.332 -1.609 -5.238 1.00 0.00 H new ATOM 0 HA HIS A 32 2.077 -0.409 -7.914 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.963 -2.212 -8.371 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.324 -0.611 -7.757 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.041 -0.545 -4.973 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.863 -4.700 -4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.147 -2.468 -3.611 1.00 0.00 H new ATOM 511 N ARG A 33 0.462 -2.815 -7.066 1.00 0.00 N ATOM 512 CA ARG A 33 -0.365 -3.993 -7.349 1.00 0.00 C ATOM 513 C ARG A 33 0.434 -5.271 -7.085 1.00 0.00 C ATOM 514 O ARG A 33 1.645 -5.300 -7.276 1.00 0.00 O ATOM 515 CB ARG A 33 -0.883 -3.955 -8.794 1.00 0.00 C ATOM 516 CG ARG A 33 -2.300 -4.483 -8.972 1.00 0.00 C ATOM 517 CD ARG A 33 -2.886 -4.095 -10.322 1.00 0.00 C ATOM 518 NE ARG A 33 -2.691 -2.679 -10.640 1.00 0.00 N ATOM 519 CZ ARG A 33 -3.608 -1.915 -11.236 1.00 0.00 C ATOM 520 NH1 ARG A 33 -4.817 -2.405 -11.496 1.00 0.00 N ATOM 521 NH2 ARG A 33 -3.318 -0.661 -11.563 1.00 0.00 N ATOM 0 H ARG A 33 0.146 -2.272 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.229 -3.984 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.844 -2.927 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.210 -4.538 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.297 -5.569 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.935 -4.094 -8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.427 -4.704 -11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.952 -4.320 -10.328 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.800 -2.251 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.044 -3.366 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.517 -1.820 -11.952 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.394 -0.281 -11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.020 -0.077 -12.019 1.00 0.00 H new ATOM 535 N PRO A 34 -0.217 -6.331 -6.586 1.00 0.00 N ATOM 536 CA PRO A 34 0.461 -7.596 -6.277 1.00 0.00 C ATOM 537 C PRO A 34 0.930 -8.366 -7.514 1.00 0.00 C ATOM 538 O PRO A 34 0.480 -9.483 -7.777 1.00 0.00 O ATOM 539 CB PRO A 34 -0.592 -8.391 -5.517 1.00 0.00 C ATOM 540 CG PRO A 34 -1.899 -7.822 -5.941 1.00 0.00 C ATOM 541 CD PRO A 34 -1.650 -6.375 -6.244 1.00 0.00 C ATOM 0 HA PRO A 34 1.378 -7.419 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.530 -9.453 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.454 -8.297 -4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.283 -8.342 -6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.645 -7.932 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.270 -6.027 -7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.877 -5.742 -5.386 1.00 0.00 H new