USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=7 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= 0.293 X(o=0.75,f=1.1) USER MOD Set 1.2: A 28 SER OG : rot -78:sc= 0.456 USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= 1.22 (180deg=-0.137) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0243 USER MOD Single : A 21 TYR OH : rot -57:sc= 1.26 USER MOD Single : A 23 ASN : amide:sc= 2.64 K(o=2.6,f=-9.8!) USER MOD Single : A 24 HIS : no HD1:sc= 1.14 K(o=1.1,f=-3.7!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 30 GLN : amide:sc= -1.87 X(o=-1.9,f=-2.2!) USER MOD Single : A 32 HIS : no HE2:sc= 0.33 K(o=0.33,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -9.010 -8.878 -8.927 1.00 0.00 N ATOM 50 CA LEU A 5 -8.189 -8.995 -7.736 1.00 0.00 C ATOM 51 C LEU A 5 -8.200 -10.431 -7.224 1.00 0.00 C ATOM 52 O LEU A 5 -9.258 -11.063 -7.162 1.00 0.00 O ATOM 53 CB LEU A 5 -8.701 -8.045 -6.653 1.00 0.00 C ATOM 54 CG LEU A 5 -7.626 -7.204 -5.957 1.00 0.00 C ATOM 55 CD1 LEU A 5 -6.609 -6.680 -6.959 1.00 0.00 C ATOM 56 CD2 LEU A 5 -8.255 -6.052 -5.186 1.00 0.00 C ATOM 0 HA LEU A 5 -7.164 -8.724 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.433 -7.372 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.226 -8.630 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.105 -7.849 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.858 -6.087 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.126 -7.519 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.114 -6.058 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.472 -5.469 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.809 -5.413 -5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.934 -6.448 -4.431 1.00 0.00 H new ATOM 68 N PRO A 6 -7.022 -10.979 -6.880 1.00 0.00 N ATOM 69 CA PRO A 6 -6.916 -12.325 -6.313 1.00 0.00 C ATOM 70 C PRO A 6 -7.553 -12.403 -4.926 1.00 0.00 C ATOM 71 O PRO A 6 -7.671 -11.388 -4.235 1.00 0.00 O ATOM 72 CB PRO A 6 -5.402 -12.580 -6.231 1.00 0.00 C ATOM 73 CG PRO A 6 -4.775 -11.521 -7.075 1.00 0.00 C ATOM 74 CD PRO A 6 -5.703 -10.344 -7.019 1.00 0.00 C ATOM 0 HA PRO A 6 -7.439 -13.066 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.049 -12.522 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.151 -13.575 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.787 -11.257 -6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.644 -11.866 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.477 -9.690 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.640 -9.735 -7.921 1.00 0.00 H new ATOM 82 N PRO A 7 -7.977 -13.606 -4.510 1.00 0.00 N ATOM 83 CA PRO A 7 -8.649 -13.810 -3.225 1.00 0.00 C ATOM 84 C PRO A 7 -7.773 -13.413 -2.040 1.00 0.00 C ATOM 85 O PRO A 7 -6.821 -14.118 -1.690 1.00 0.00 O ATOM 86 CB PRO A 7 -8.939 -15.314 -3.194 1.00 0.00 C ATOM 87 CG PRO A 7 -8.854 -15.758 -4.612 1.00 0.00 C ATOM 88 CD PRO A 7 -7.840 -14.865 -5.262 1.00 0.00 C ATOM 0 HA PRO A 7 -9.543 -13.193 -3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.216 -15.842 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.925 -15.516 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.552 -16.803 -4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.822 -15.674 -5.106 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.833 -15.274 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.046 -14.726 -6.323 1.00 0.00 H new ATOM 96 N GLY A 8 -8.085 -12.275 -1.439 1.00 0.00 N ATOM 97 CA GLY A 8 -7.339 -11.824 -0.286 1.00 0.00 C ATOM 98 C GLY A 8 -6.632 -10.516 -0.538 1.00 0.00 C ATOM 99 O GLY A 8 -5.755 -10.130 0.225 1.00 0.00 O ATOM 0 H GLY A 8 -8.842 -11.656 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.016 -11.711 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.607 -12.583 -0.010 1.00 0.00 H new ATOM 103 N TRP A 9 -6.992 -9.840 -1.613 1.00 0.00 N ATOM 104 CA TRP A 9 -6.456 -8.516 -1.891 1.00 0.00 C ATOM 105 C TRP A 9 -7.552 -7.471 -1.746 1.00 0.00 C ATOM 106 O TRP A 9 -8.704 -7.722 -2.112 1.00 0.00 O ATOM 107 CB TRP A 9 -5.868 -8.457 -3.297 1.00 0.00 C ATOM 108 CG TRP A 9 -4.563 -9.174 -3.423 1.00 0.00 C ATOM 109 CD1 TRP A 9 -4.383 -10.472 -3.784 1.00 0.00 C ATOM 110 CD2 TRP A 9 -3.260 -8.638 -3.180 1.00 0.00 C ATOM 111 NE1 TRP A 9 -3.047 -10.778 -3.791 1.00 0.00 N ATOM 112 CE2 TRP A 9 -2.334 -9.669 -3.421 1.00 0.00 C ATOM 113 CE3 TRP A 9 -2.787 -7.387 -2.788 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -0.962 -9.488 -3.279 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.426 -7.207 -2.644 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.526 -8.251 -2.889 1.00 0.00 C ATOM 0 H TRP A 9 -7.653 -10.184 -2.309 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.662 -8.308 -1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.581 -8.888 -4.000 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.731 -7.414 -3.582 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.177 -11.162 -4.030 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.648 -11.685 -4.033 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.472 -6.574 -2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.268 -10.293 -3.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.048 -6.243 -2.337 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.533 -8.077 -2.768 1.00 0.00 H new ATOM 127 N GLU A 10 -7.202 -6.312 -1.208 1.00 0.00 N ATOM 128 CA GLU A 10 -8.173 -5.254 -0.999 1.00 0.00 C ATOM 129 C GLU A 10 -7.636 -3.917 -1.510 1.00 0.00 C ATOM 130 O GLU A 10 -6.593 -3.441 -1.063 1.00 0.00 O ATOM 131 CB GLU A 10 -8.516 -5.180 0.489 1.00 0.00 C ATOM 132 CG GLU A 10 -9.506 -4.089 0.848 1.00 0.00 C ATOM 133 CD GLU A 10 -10.026 -4.227 2.262 1.00 0.00 C ATOM 134 OE1 GLU A 10 -9.212 -4.153 3.208 1.00 0.00 O ATOM 135 OE2 GLU A 10 -11.244 -4.419 2.436 1.00 0.00 O ATOM 0 H GLU A 10 -6.254 -6.083 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.079 -5.475 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.922 -6.141 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.598 -5.021 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.029 -3.116 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.344 -4.118 0.151 1.00 0.00 H new ATOM 142 N GLU A 11 -8.345 -3.329 -2.461 1.00 0.00 N ATOM 143 CA GLU A 11 -7.953 -2.049 -3.038 1.00 0.00 C ATOM 144 C GLU A 11 -8.351 -0.911 -2.105 1.00 0.00 C ATOM 145 O GLU A 11 -9.539 -0.672 -1.876 1.00 0.00 O ATOM 146 CB GLU A 11 -8.629 -1.870 -4.397 1.00 0.00 C ATOM 147 CG GLU A 11 -7.939 -0.871 -5.310 1.00 0.00 C ATOM 148 CD GLU A 11 -8.568 -0.812 -6.687 1.00 0.00 C ATOM 149 OE1 GLU A 11 -9.701 -1.314 -6.855 1.00 0.00 O ATOM 150 OE2 GLU A 11 -7.941 -0.252 -7.610 1.00 0.00 O ATOM 0 H GLU A 11 -9.202 -3.720 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.871 -2.033 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.670 -2.836 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.659 -1.549 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.976 0.119 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.887 -1.138 -5.406 1.00 0.00 H new ATOM 157 N LYS A 12 -7.359 -0.223 -1.565 1.00 0.00 N ATOM 158 CA LYS A 12 -7.590 0.853 -0.608 1.00 0.00 C ATOM 159 C LYS A 12 -6.778 2.087 -0.987 1.00 0.00 C ATOM 160 O LYS A 12 -5.704 1.970 -1.563 1.00 0.00 O ATOM 161 CB LYS A 12 -7.182 0.392 0.795 1.00 0.00 C ATOM 162 CG LYS A 12 -8.340 0.235 1.764 1.00 0.00 C ATOM 163 CD LYS A 12 -7.852 0.167 3.207 1.00 0.00 C ATOM 164 CE LYS A 12 -7.798 -1.267 3.716 1.00 0.00 C ATOM 165 NZ LYS A 12 -9.091 -1.704 4.308 1.00 0.00 N ATOM 0 H LYS A 12 -6.375 -0.391 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.650 1.107 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.660 -0.562 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.473 1.109 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.028 1.073 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.897 -0.670 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.861 0.616 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.514 0.754 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.534 -1.932 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.010 -1.356 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.212 -2.726 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.093 -1.499 5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.873 -1.193 3.850 1.00 0.00 H new ATOM 179 N VAL A 13 -7.289 3.266 -0.682 1.00 0.00 N ATOM 180 CA VAL A 13 -6.508 4.484 -0.845 1.00 0.00 C ATOM 181 C VAL A 13 -5.997 4.939 0.514 1.00 0.00 C ATOM 182 O VAL A 13 -6.777 5.115 1.447 1.00 0.00 O ATOM 183 CB VAL A 13 -7.322 5.622 -1.507 1.00 0.00 C ATOM 184 CG1 VAL A 13 -6.613 6.960 -1.355 1.00 0.00 C ATOM 185 CG2 VAL A 13 -7.564 5.320 -2.976 1.00 0.00 C ATOM 0 H VAL A 13 -8.233 3.408 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.673 4.257 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.284 5.685 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.206 7.742 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.491 7.189 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.634 6.909 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.138 6.131 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.608 5.224 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.121 4.387 -3.069 1.00 0.00 H new ATOM 195 N ASP A 14 -4.688 5.102 0.631 1.00 0.00 N ATOM 196 CA ASP A 14 -4.093 5.525 1.888 1.00 0.00 C ATOM 197 C ASP A 14 -3.780 7.016 1.863 1.00 0.00 C ATOM 198 O ASP A 14 -4.582 7.836 2.307 1.00 0.00 O ATOM 199 CB ASP A 14 -2.822 4.728 2.173 1.00 0.00 C ATOM 200 CG ASP A 14 -2.318 4.925 3.589 1.00 0.00 C ATOM 201 OD1 ASP A 14 -2.831 4.254 4.509 1.00 0.00 O ATOM 202 OD2 ASP A 14 -1.400 5.745 3.788 1.00 0.00 O ATOM 0 H ASP A 14 -4.021 4.949 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.813 5.335 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.016 3.669 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.045 5.026 1.469 1.00 0.00 H new ATOM 207 N ASN A 15 -2.623 7.365 1.311 1.00 0.00 N ATOM 208 CA ASN A 15 -2.170 8.752 1.295 1.00 0.00 C ATOM 209 C ASN A 15 -2.848 9.553 0.187 1.00 0.00 C ATOM 210 O ASN A 15 -2.214 9.895 -0.810 1.00 0.00 O ATOM 211 CB ASN A 15 -0.647 8.821 1.131 1.00 0.00 C ATOM 212 CG ASN A 15 -0.024 9.915 1.980 1.00 0.00 C ATOM 213 OD1 ASN A 15 0.455 9.661 3.087 1.00 0.00 O ATOM 214 ND2 ASN A 15 -0.014 11.138 1.469 1.00 0.00 N ATOM 0 H ASN A 15 -1.981 6.707 0.869 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.448 9.195 2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.211 7.860 1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.404 8.995 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.400 11.907 1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.420 11.310 0.549 1.00 0.00 H new ATOM 221 N LEU A 16 -4.149 9.791 0.361 1.00 0.00 N ATOM 222 CA LEU A 16 -4.924 10.733 -0.459 1.00 0.00 C ATOM 223 C LEU A 16 -4.606 10.648 -1.952 1.00 0.00 C ATOM 224 O LEU A 16 -4.221 11.639 -2.574 1.00 0.00 O ATOM 225 CB LEU A 16 -4.679 12.157 0.028 1.00 0.00 C ATOM 226 CG LEU A 16 -4.890 12.383 1.528 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.908 13.413 2.061 1.00 0.00 C ATOM 228 CD2 LEU A 16 -6.322 12.816 1.802 1.00 0.00 C ATOM 0 H LEU A 16 -4.704 9.331 1.083 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.972 10.455 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.657 12.439 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.339 12.829 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.708 11.441 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.076 13.558 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.889 13.062 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.054 14.359 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.456 12.973 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.529 13.745 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.008 12.041 1.460 1.00 0.00 H new ATOM 240 N GLY A 17 -4.758 9.470 -2.524 1.00 0.00 N ATOM 241 CA GLY A 17 -4.609 9.338 -3.961 1.00 0.00 C ATOM 242 C GLY A 17 -3.914 8.063 -4.382 1.00 0.00 C ATOM 243 O GLY A 17 -4.181 7.534 -5.461 1.00 0.00 O ATOM 0 H GLY A 17 -4.980 8.606 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.595 9.375 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.046 10.191 -4.340 1.00 0.00 H new ATOM 247 N ARG A 18 -3.031 7.552 -3.537 1.00 0.00 N ATOM 248 CA ARG A 18 -2.283 6.351 -3.886 1.00 0.00 C ATOM 249 C ARG A 18 -3.089 5.117 -3.526 1.00 0.00 C ATOM 250 O ARG A 18 -3.256 4.789 -2.347 1.00 0.00 O ATOM 251 CB ARG A 18 -0.905 6.300 -3.203 1.00 0.00 C ATOM 252 CG ARG A 18 -0.527 7.558 -2.441 1.00 0.00 C ATOM 253 CD ARG A 18 0.978 7.754 -2.409 1.00 0.00 C ATOM 254 NE ARG A 18 1.347 9.102 -2.814 1.00 0.00 N ATOM 255 CZ ARG A 18 1.907 9.999 -2.007 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.274 9.655 -0.779 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.123 11.232 -2.440 1.00 0.00 N ATOM 0 H ARG A 18 -2.816 7.941 -2.619 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.109 6.377 -4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.887 5.455 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.146 6.109 -3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.998 8.423 -2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.909 7.497 -1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.350 7.560 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.455 7.031 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 18 1.164 9.377 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.127 8.700 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.703 10.345 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.860 11.492 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.552 11.921 -1.823 1.00 0.00 H new ATOM 271 N THR A 19 -3.620 4.465 -4.546 1.00 0.00 N ATOM 272 CA THR A 19 -4.363 3.239 -4.364 1.00 0.00 C ATOM 273 C THR A 19 -3.415 2.082 -4.100 1.00 0.00 C ATOM 274 O THR A 19 -2.633 1.695 -4.970 1.00 0.00 O ATOM 275 CB THR A 19 -5.211 2.924 -5.605 1.00 0.00 C ATOM 276 OG1 THR A 19 -5.163 4.035 -6.518 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.653 2.630 -5.217 1.00 0.00 C ATOM 0 H THR A 19 -3.547 4.771 -5.516 1.00 0.00 H new ATOM 0 HA THR A 19 -5.024 3.372 -3.507 1.00 0.00 H new ATOM 0 HB THR A 19 -4.802 2.037 -6.089 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.703 3.831 -7.310 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.233 2.410 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.681 1.771 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.078 3.498 -4.713 1.00 0.00 H new ATOM 285 N TYR A 20 -3.473 1.551 -2.897 1.00 0.00 N ATOM 286 CA TYR A 20 -2.651 0.421 -2.540 1.00 0.00 C ATOM 287 C TYR A 20 -3.511 -0.805 -2.329 1.00 0.00 C ATOM 288 O TYR A 20 -4.697 -0.706 -2.016 1.00 0.00 O ATOM 289 CB TYR A 20 -1.788 0.717 -1.310 1.00 0.00 C ATOM 290 CG TYR A 20 -2.499 0.592 0.015 1.00 0.00 C ATOM 291 CD1 TYR A 20 -3.359 1.584 0.470 1.00 0.00 C ATOM 292 CD2 TYR A 20 -2.292 -0.515 0.819 1.00 0.00 C ATOM 293 CE1 TYR A 20 -3.996 1.470 1.691 1.00 0.00 C ATOM 294 CE2 TYR A 20 -2.921 -0.635 2.040 1.00 0.00 C ATOM 295 CZ TYR A 20 -3.774 0.358 2.472 1.00 0.00 C ATOM 296 OH TYR A 20 -4.404 0.237 3.693 1.00 0.00 O ATOM 0 H TYR A 20 -4.082 1.886 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.968 0.224 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.935 0.039 -1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.392 1.729 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.532 2.458 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.627 -1.298 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.664 2.248 2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.746 -1.504 2.656 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.139 -0.607 4.116 1.00 0.00 H new ATOM 306 N TYR A 21 -2.909 -1.956 -2.514 1.00 0.00 N ATOM 307 CA TYR A 21 -3.635 -3.201 -2.498 1.00 0.00 C ATOM 308 C TYR A 21 -3.199 -3.995 -1.286 1.00 0.00 C ATOM 309 O TYR A 21 -2.104 -4.554 -1.249 1.00 0.00 O ATOM 310 CB TYR A 21 -3.405 -3.986 -3.799 1.00 0.00 C ATOM 311 CG TYR A 21 -4.026 -3.340 -5.032 1.00 0.00 C ATOM 312 CD1 TYR A 21 -4.073 -1.957 -5.180 1.00 0.00 C ATOM 313 CD2 TYR A 21 -4.570 -4.115 -6.043 1.00 0.00 C ATOM 314 CE1 TYR A 21 -4.638 -1.371 -6.293 1.00 0.00 C ATOM 315 CE2 TYR A 21 -5.139 -3.535 -7.161 1.00 0.00 C ATOM 316 CZ TYR A 21 -5.172 -2.164 -7.279 1.00 0.00 C ATOM 317 OH TYR A 21 -5.735 -1.583 -8.391 1.00 0.00 O ATOM 0 H TYR A 21 -1.907 -2.055 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.705 -3.006 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.333 -4.095 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.814 -4.990 -3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.658 -1.329 -4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.549 -5.191 -5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.660 -0.295 -6.389 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.557 -4.156 -7.940 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.444 -0.966 -8.114 1.00 0.00 H new ATOM 327 N VAL A 22 -4.052 -4.004 -0.285 1.00 0.00 N ATOM 328 CA VAL A 22 -3.719 -4.602 0.990 1.00 0.00 C ATOM 329 C VAL A 22 -4.144 -6.060 1.026 1.00 0.00 C ATOM 330 O VAL A 22 -5.333 -6.385 1.041 1.00 0.00 O ATOM 331 CB VAL A 22 -4.342 -3.814 2.169 1.00 0.00 C ATOM 332 CG1 VAL A 22 -5.827 -3.567 1.972 1.00 0.00 C ATOM 333 CG2 VAL A 22 -4.091 -4.506 3.501 1.00 0.00 C ATOM 0 H VAL A 22 -4.988 -3.601 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.636 -4.557 1.104 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.844 -2.844 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.220 -3.011 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.982 -2.990 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.347 -4.522 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.543 -3.924 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.533 -5.502 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.018 -4.588 3.672 1.00 0.00 H new ATOM 343 N ASN A 23 -3.155 -6.931 0.992 1.00 0.00 N ATOM 344 CA ASN A 23 -3.395 -8.354 1.097 1.00 0.00 C ATOM 345 C ASN A 23 -3.898 -8.686 2.500 1.00 0.00 C ATOM 346 O ASN A 23 -3.432 -8.119 3.479 1.00 0.00 O ATOM 347 CB ASN A 23 -2.115 -9.127 0.785 1.00 0.00 C ATOM 348 CG ASN A 23 -2.360 -10.612 0.631 1.00 0.00 C ATOM 349 OD1 ASN A 23 -2.265 -11.364 1.593 1.00 0.00 O ATOM 350 ND2 ASN A 23 -2.693 -11.042 -0.573 1.00 0.00 N ATOM 0 H ASN A 23 -2.173 -6.675 0.892 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.155 -8.647 0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.673 -8.738 -0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.391 -8.962 1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.882 -12.033 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.762 -10.383 -1.349 1.00 0.00 H new ATOM 357 N HIS A 24 -4.862 -9.583 2.597 1.00 0.00 N ATOM 358 CA HIS A 24 -5.468 -9.913 3.880 1.00 0.00 C ATOM 359 C HIS A 24 -4.884 -11.205 4.441 1.00 0.00 C ATOM 360 O HIS A 24 -5.170 -11.590 5.575 1.00 0.00 O ATOM 361 CB HIS A 24 -6.987 -10.038 3.729 1.00 0.00 C ATOM 362 CG HIS A 24 -7.715 -8.732 3.853 1.00 0.00 C ATOM 363 ND1 HIS A 24 -9.013 -8.633 4.307 1.00 0.00 N ATOM 364 CD2 HIS A 24 -7.317 -7.465 3.587 1.00 0.00 C ATOM 365 CE1 HIS A 24 -9.380 -7.367 4.313 1.00 0.00 C ATOM 366 NE2 HIS A 24 -8.372 -6.635 3.884 1.00 0.00 N ATOM 0 H HIS A 24 -5.244 -10.098 1.804 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.247 -9.108 4.581 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.212 -10.478 2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.363 -10.727 4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.351 -7.163 3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.346 -6.992 4.619 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.374 -5.620 3.788 1.00 0.00 H new ATOM 375 N ASN A 25 -4.054 -11.865 3.646 1.00 0.00 N ATOM 376 CA ASN A 25 -3.448 -13.127 4.048 1.00 0.00 C ATOM 377 C ASN A 25 -2.065 -12.893 4.643 1.00 0.00 C ATOM 378 O ASN A 25 -1.727 -13.429 5.696 1.00 0.00 O ATOM 379 CB ASN A 25 -3.341 -14.067 2.846 1.00 0.00 C ATOM 380 CG ASN A 25 -4.102 -15.358 3.054 1.00 0.00 C ATOM 381 OD1 ASN A 25 -3.775 -16.151 3.934 1.00 0.00 O ATOM 382 ND2 ASN A 25 -5.121 -15.581 2.241 1.00 0.00 N ATOM 0 H ASN A 25 -3.784 -11.546 2.715 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.083 -13.585 4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.723 -13.562 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.292 -14.293 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.668 -16.437 2.332 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.360 -14.897 1.523 1.00 0.00 H new ATOM 389 N ASN A 26 -1.271 -12.091 3.955 1.00 0.00 N ATOM 390 CA ASN A 26 0.080 -11.773 4.397 1.00 0.00 C ATOM 391 C ASN A 26 0.199 -10.292 4.756 1.00 0.00 C ATOM 392 O ASN A 26 1.203 -9.856 5.322 1.00 0.00 O ATOM 393 CB ASN A 26 1.073 -12.140 3.291 1.00 0.00 C ATOM 394 CG ASN A 26 2.519 -11.911 3.685 1.00 0.00 C ATOM 395 OD1 ASN A 26 3.202 -11.066 3.103 1.00 0.00 O ATOM 396 ND2 ASN A 26 2.994 -12.656 4.675 1.00 0.00 N ATOM 0 H ASN A 26 -1.540 -11.643 3.079 1.00 0.00 H new ATOM 0 HA ASN A 26 0.308 -12.351 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.938 -13.188 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.849 -11.552 2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.960 -12.541 4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.393 -13.344 5.129 1.00 0.00 H new ATOM 403 N ARG A 27 -0.858 -9.539 4.457 1.00 0.00 N ATOM 404 CA ARG A 27 -0.893 -8.094 4.640 1.00 0.00 C ATOM 405 C ARG A 27 0.326 -7.390 4.058 1.00 0.00 C ATOM 406 O ARG A 27 0.954 -6.557 4.714 1.00 0.00 O ATOM 407 CB ARG A 27 -1.085 -7.737 6.105 1.00 0.00 C ATOM 408 CG ARG A 27 -2.092 -6.627 6.298 1.00 0.00 C ATOM 409 CD ARG A 27 -1.993 -6.008 7.685 1.00 0.00 C ATOM 410 NE ARG A 27 -1.294 -4.719 7.666 1.00 0.00 N ATOM 411 CZ ARG A 27 -1.886 -3.547 7.422 1.00 0.00 C ATOM 412 NH1 ARG A 27 -3.190 -3.492 7.182 1.00 0.00 N ATOM 413 NH2 ARG A 27 -1.180 -2.424 7.427 1.00 0.00 N ATOM 0 H ARG A 27 -1.723 -9.922 4.076 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.753 -7.731 4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.413 -8.621 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.128 -7.435 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.932 -5.856 5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.098 -7.018 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.995 -5.871 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.469 -6.694 8.351 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.291 -4.717 7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.745 -4.348 7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.637 -2.594 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.178 -2.452 7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.639 -1.532 7.240 1.00 0.00 H new ATOM 427 N SER A 28 0.656 -7.735 2.828 1.00 0.00 N ATOM 428 CA SER A 28 1.640 -6.989 2.069 1.00 0.00 C ATOM 429 C SER A 28 0.977 -5.734 1.503 1.00 0.00 C ATOM 430 O SER A 28 0.055 -5.825 0.693 1.00 0.00 O ATOM 431 CB SER A 28 2.200 -7.870 0.954 1.00 0.00 C ATOM 432 OG SER A 28 1.865 -9.234 1.180 1.00 0.00 O ATOM 0 H SER A 28 0.255 -8.531 2.332 1.00 0.00 H new ATOM 0 HA SER A 28 2.469 -6.689 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.802 -7.546 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.283 -7.759 0.904 1.00 0.00 H new ATOM 0 HG SER A 28 2.460 -9.608 1.863 1.00 0.00 H new ATOM 438 N THR A 29 1.427 -4.570 1.946 1.00 0.00 N ATOM 439 CA THR A 29 0.760 -3.319 1.618 1.00 0.00 C ATOM 440 C THR A 29 1.499 -2.573 0.515 1.00 0.00 C ATOM 441 O THR A 29 2.278 -1.656 0.773 1.00 0.00 O ATOM 442 CB THR A 29 0.645 -2.434 2.872 1.00 0.00 C ATOM 443 OG1 THR A 29 1.707 -2.751 3.782 1.00 0.00 O ATOM 444 CG2 THR A 29 -0.690 -2.656 3.565 1.00 0.00 C ATOM 0 H THR A 29 2.253 -4.465 2.535 1.00 0.00 H new ATOM 0 HA THR A 29 -0.240 -3.555 1.254 1.00 0.00 H new ATOM 0 HB THR A 29 0.715 -1.390 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.634 -2.186 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.751 -2.021 4.449 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.501 -2.405 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.776 -3.701 3.862 1.00 0.00 H new ATOM 452 N GLN A 30 1.240 -2.981 -0.713 1.00 0.00 N ATOM 453 CA GLN A 30 1.918 -2.418 -1.875 1.00 0.00 C ATOM 454 C GLN A 30 0.990 -1.489 -2.652 1.00 0.00 C ATOM 455 O GLN A 30 -0.222 -1.687 -2.659 1.00 0.00 O ATOM 456 CB GLN A 30 2.423 -3.537 -2.792 1.00 0.00 C ATOM 457 CG GLN A 30 1.463 -4.712 -2.924 1.00 0.00 C ATOM 458 CD GLN A 30 0.801 -4.770 -4.280 1.00 0.00 C ATOM 459 OE1 GLN A 30 -0.125 -4.017 -4.570 1.00 0.00 O ATOM 460 NE2 GLN A 30 1.278 -5.659 -5.124 1.00 0.00 N ATOM 0 H GLN A 30 0.559 -3.707 -0.937 1.00 0.00 H new ATOM 0 HA GLN A 30 2.769 -1.837 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.612 -3.123 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.377 -3.902 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.005 -5.641 -2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.697 -4.639 -2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.048 -6.266 -4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.877 -5.741 -6.058 1.00 0.00 H new ATOM 469 N TRP A 31 1.559 -0.477 -3.307 1.00 0.00 N ATOM 470 CA TRP A 31 0.774 0.415 -4.151 1.00 0.00 C ATOM 471 C TRP A 31 0.785 -0.052 -5.605 1.00 0.00 C ATOM 472 O TRP A 31 0.178 0.577 -6.466 1.00 0.00 O ATOM 473 CB TRP A 31 1.283 1.864 -4.091 1.00 0.00 C ATOM 474 CG TRP A 31 1.811 2.315 -2.760 1.00 0.00 C ATOM 475 CD1 TRP A 31 3.077 2.161 -2.295 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.098 3.028 -1.744 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.195 2.712 -1.045 1.00 0.00 N ATOM 478 CE2 TRP A 31 1.993 3.250 -0.683 1.00 0.00 C ATOM 479 CE3 TRP A 31 -0.210 3.492 -1.627 1.00 0.00 C ATOM 480 CZ2 TRP A 31 1.619 3.918 0.481 1.00 0.00 C ATOM 481 CZ3 TRP A 31 -0.583 4.156 -0.472 1.00 0.00 C ATOM 482 CH2 TRP A 31 0.330 4.363 0.569 1.00 0.00 C ATOM 0 H TRP A 31 2.554 -0.258 -3.268 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.244 0.386 -3.763 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.072 1.983 -4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.469 2.528 -4.382 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.877 1.674 -2.833 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.043 2.719 -0.478 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.921 3.336 -2.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 2.322 4.078 1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.595 4.520 -0.372 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.009 4.884 1.459 1.00 0.00 H new ATOM 493 N HIS A 32 1.464 -1.158 -5.881 1.00 0.00 N ATOM 494 CA HIS A 32 1.594 -1.627 -7.259 1.00 0.00 C ATOM 495 C HIS A 32 0.899 -2.969 -7.440 1.00 0.00 C ATOM 496 O HIS A 32 1.509 -4.020 -7.252 1.00 0.00 O ATOM 497 CB HIS A 32 3.069 -1.716 -7.695 1.00 0.00 C ATOM 498 CG HIS A 32 4.009 -2.238 -6.649 1.00 0.00 C ATOM 499 ND1 HIS A 32 3.913 -3.503 -6.115 1.00 0.00 N ATOM 500 CD2 HIS A 32 5.070 -1.657 -6.043 1.00 0.00 C ATOM 501 CE1 HIS A 32 4.871 -3.679 -5.228 1.00 0.00 C ATOM 502 NE2 HIS A 32 5.587 -2.576 -5.165 1.00 0.00 N ATOM 0 H HIS A 32 1.927 -1.741 -5.183 1.00 0.00 H new ATOM 0 HA HIS A 32 1.106 -0.894 -7.901 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.134 -2.358 -8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.403 -0.724 -7.999 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.209 -4.197 -6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.440 -0.658 -6.218 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.040 -4.576 -4.651 1.00 0.00 H new ATOM 511 N ARG A 33 -0.380 -2.894 -7.811 1.00 0.00 N ATOM 512 CA ARG A 33 -1.256 -4.059 -7.996 1.00 0.00 C ATOM 513 C ARG A 33 -0.518 -5.279 -8.550 1.00 0.00 C ATOM 514 O ARG A 33 0.206 -5.187 -9.543 1.00 0.00 O ATOM 515 CB ARG A 33 -2.400 -3.673 -8.941 1.00 0.00 C ATOM 516 CG ARG A 33 -3.057 -4.848 -9.644 1.00 0.00 C ATOM 517 CD ARG A 33 -3.724 -4.414 -10.937 1.00 0.00 C ATOM 518 NE ARG A 33 -3.748 -5.488 -11.926 1.00 0.00 N ATOM 519 CZ ARG A 33 -2.801 -5.687 -12.843 1.00 0.00 C ATOM 520 NH1 ARG A 33 -1.732 -4.896 -12.897 1.00 0.00 N ATOM 521 NH2 ARG A 33 -2.920 -6.689 -13.710 1.00 0.00 N ATOM 0 H ARG A 33 -0.848 -2.007 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.638 -4.343 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.159 -3.135 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.017 -2.983 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.309 -5.612 -9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.797 -5.301 -8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.744 -4.090 -10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.194 -3.554 -11.348 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.542 -6.128 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.631 -4.129 -12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.013 -5.057 -13.603 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.734 -7.302 -13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.197 -6.844 -14.413 1.00 0.00 H new ATOM 535 N PRO A 34 -0.705 -6.437 -7.898 1.00 0.00 N ATOM 536 CA PRO A 34 -0.092 -7.704 -8.316 1.00 0.00 C ATOM 537 C PRO A 34 -0.548 -8.143 -9.706 1.00 0.00 C ATOM 538 O PRO A 34 -1.608 -7.733 -10.183 1.00 0.00 O ATOM 539 CB PRO A 34 -0.565 -8.712 -7.262 1.00 0.00 C ATOM 540 CG PRO A 34 -1.746 -8.079 -6.607 1.00 0.00 C ATOM 541 CD PRO A 34 -1.537 -6.596 -6.697 1.00 0.00 C ATOM 0 HA PRO A 34 0.993 -7.617 -8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.834 -9.663 -7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.222 -8.920 -6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.670 -8.372 -7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.830 -8.397 -5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.483 -6.063 -6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.038 -6.207 -5.809 1.00 0.00 H new