USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot 156:sc= -1.72! USER MOD Set 1.2: A 51 GLN : amide:sc= -12.2! C(o=-14!,f=-14!) USER MOD Set 2.1: A 41 ASN : amide:sc= -2.74! C(o=-6.4!,f=-5.6!) USER MOD Set 2.2: A 56 GLN : amide:sc= -3.68! K(o=-6.4!,f=-0.3) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -160:sc= -1.04 USER MOD Single : A 20 SER OG : rot -160:sc= -0.455 USER MOD Single : A 21 LYS NZ :NH3+ -116:sc= -1.86 (180deg=-4.09!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0.979 USER MOD Single : A 28 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.38) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= -1.04 (180deg=-1.25) USER MOD Single : A 37 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.88) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.0845 (180deg=-0.719) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl -137:sc= 0 (180deg=-1.53!) USER MOD Single : A 46 ASN : amide:sc= -1.59 K(o=-1.6,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.99) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -0.154 (180deg=-1.03) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.294 14.228 -1.596 1.00 0.00 N ATOM 2 CA ILE A 6 0.828 14.639 -0.704 1.00 0.00 C ATOM 3 C ILE A 6 2.136 14.014 -1.249 1.00 0.00 C ATOM 4 O ILE A 6 2.119 12.900 -1.735 1.00 0.00 O ATOM 5 CB ILE A 6 0.514 14.139 0.745 1.00 0.00 C ATOM 6 CG1 ILE A 6 0.255 15.333 1.679 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.667 13.303 1.325 1.00 0.00 C ATOM 8 CD1 ILE A 6 -0.291 14.831 3.019 1.00 0.00 C ATOM 0 HA ILE A 6 0.946 15.722 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.375 13.511 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.178 15.890 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.457 16.019 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.408 12.976 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.838 12.432 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.573 13.908 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.473 15.680 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.224 14.293 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.436 14.162 3.481 1.00 0.00 H new ATOM 20 N PRO A 7 3.267 14.690 -1.153 1.00 0.00 N ATOM 21 CA PRO A 7 4.554 14.109 -1.633 1.00 0.00 C ATOM 22 C PRO A 7 4.790 12.714 -1.039 1.00 0.00 C ATOM 23 O PRO A 7 4.816 12.532 0.161 1.00 0.00 O ATOM 24 CB PRO A 7 5.635 15.100 -1.170 1.00 0.00 C ATOM 25 CG PRO A 7 4.919 16.390 -0.884 1.00 0.00 C ATOM 26 CD PRO A 7 3.447 16.046 -0.596 1.00 0.00 C ATOM 0 HA PRO A 7 4.561 13.975 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.146 14.732 -0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.394 15.237 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.369 16.897 -0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.995 17.068 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.237 16.067 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.773 16.761 -1.067 1.00 0.00 H new ATOM 34 N ILE A 8 4.946 11.735 -1.879 1.00 0.00 N ATOM 35 CA ILE A 8 5.165 10.345 -1.412 1.00 0.00 C ATOM 36 C ILE A 8 6.113 10.297 -0.189 1.00 0.00 C ATOM 37 O ILE A 8 5.883 9.559 0.748 1.00 0.00 O ATOM 38 CB ILE A 8 5.767 9.564 -2.586 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.646 8.067 -2.304 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.218 9.970 -2.782 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.521 7.253 -3.266 1.00 0.00 C ATOM 0 H ILE A 8 4.930 11.844 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 8 4.220 9.907 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 8 5.226 9.791 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.943 7.862 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.606 7.758 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.642 9.413 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.272 11.038 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.783 9.751 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.416 6.191 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.206 7.441 -4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.564 7.547 -3.147 1.00 0.00 H new ATOM 53 N TRP A 9 7.183 11.055 -0.203 1.00 0.00 N ATOM 54 CA TRP A 9 8.154 11.025 0.949 1.00 0.00 C ATOM 55 C TRP A 9 7.563 11.752 2.170 1.00 0.00 C ATOM 56 O TRP A 9 8.241 11.939 3.161 1.00 0.00 O ATOM 57 CB TRP A 9 9.485 11.707 0.529 1.00 0.00 C ATOM 58 CG TRP A 9 9.203 12.666 -0.576 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.746 13.928 -0.419 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.308 12.441 -2.005 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.564 14.492 -1.664 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.885 13.612 -2.673 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.719 11.342 -2.779 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.861 13.690 -4.059 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.689 11.416 -4.177 1.00 0.00 C ATOM 66 CH2 TRP A 9 9.258 12.589 -4.812 1.00 0.00 C ATOM 0 H TRP A 9 7.430 11.694 -0.959 1.00 0.00 H new ATOM 0 HA TRP A 9 8.345 9.986 1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.927 12.228 1.378 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.207 10.958 0.204 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.555 14.415 0.526 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.232 15.444 -1.818 1.00 0.00 H new ATOM 0 HE3 TRP A 9 10.059 10.439 -2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.537 14.597 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.999 10.567 -4.768 1.00 0.00 H new ATOM 0 HH2 TRP A 9 9.234 12.639 -5.891 1.00 0.00 H new ATOM 77 N GLU A 10 6.317 12.166 2.112 1.00 0.00 N ATOM 78 CA GLU A 10 5.695 12.886 3.279 1.00 0.00 C ATOM 79 C GLU A 10 4.521 12.068 3.831 1.00 0.00 C ATOM 80 O GLU A 10 4.163 12.195 4.985 1.00 0.00 O ATOM 81 CB GLU A 10 5.187 14.269 2.822 1.00 0.00 C ATOM 82 CG GLU A 10 6.318 15.301 2.899 1.00 0.00 C ATOM 83 CD GLU A 10 5.772 16.684 2.539 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.586 16.779 2.271 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.550 17.624 2.538 1.00 0.00 O ATOM 0 H GLU A 10 5.702 12.038 1.308 1.00 0.00 H new ATOM 0 HA GLU A 10 6.444 13.012 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.811 14.207 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.354 14.584 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.743 15.316 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.122 15.027 2.216 1.00 0.00 H new ATOM 92 N ARG A 11 3.913 11.232 3.030 1.00 0.00 N ATOM 93 CA ARG A 11 2.765 10.428 3.550 1.00 0.00 C ATOM 94 C ARG A 11 3.294 9.222 4.330 1.00 0.00 C ATOM 95 O ARG A 11 4.453 8.868 4.251 1.00 0.00 O ATOM 96 CB ARG A 11 1.851 9.953 2.400 1.00 0.00 C ATOM 97 CG ARG A 11 2.669 9.653 1.140 1.00 0.00 C ATOM 98 CD ARG A 11 1.737 9.139 0.014 1.00 0.00 C ATOM 99 NE ARG A 11 0.307 9.354 0.381 1.00 0.00 N ATOM 100 CZ ARG A 11 -0.614 9.318 -0.541 1.00 0.00 C ATOM 101 NH1 ARG A 11 -0.281 9.104 -1.785 1.00 0.00 N ATOM 102 NH2 ARG A 11 -1.866 9.499 -0.221 1.00 0.00 N ATOM 0 H ARG A 11 4.156 11.072 2.052 1.00 0.00 H new ATOM 0 HA ARG A 11 2.173 11.061 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.308 9.059 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.107 10.719 2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.189 10.553 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.432 8.907 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.962 9.658 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.918 8.078 -0.161 1.00 0.00 H new ATOM 0 HE ARG A 11 0.050 9.529 1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.698 8.965 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.000 9.075 -2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.125 9.669 0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.586 9.471 -0.943 1.00 0.00 H new ATOM 116 N TYR A 12 2.435 8.599 5.087 1.00 0.00 N ATOM 117 CA TYR A 12 2.834 7.411 5.901 1.00 0.00 C ATOM 118 C TYR A 12 2.352 6.147 5.184 1.00 0.00 C ATOM 119 O TYR A 12 2.697 5.038 5.543 1.00 0.00 O ATOM 120 CB TYR A 12 2.172 7.515 7.286 1.00 0.00 C ATOM 121 CG TYR A 12 0.822 8.187 7.145 1.00 0.00 C ATOM 122 CD1 TYR A 12 0.749 9.568 6.912 1.00 0.00 C ATOM 123 CD2 TYR A 12 -0.354 7.432 7.235 1.00 0.00 C ATOM 124 CE1 TYR A 12 -0.496 10.192 6.768 1.00 0.00 C ATOM 125 CE2 TYR A 12 -1.600 8.055 7.094 1.00 0.00 C ATOM 126 CZ TYR A 12 -1.671 9.435 6.860 1.00 0.00 C ATOM 127 OH TYR A 12 -2.899 10.049 6.718 1.00 0.00 O ATOM 0 H TYR A 12 1.455 8.866 5.179 1.00 0.00 H new ATOM 0 HA TYR A 12 3.917 7.371 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.054 6.523 7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.807 8.086 7.963 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.655 10.151 6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.300 6.368 7.413 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.550 11.255 6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.506 7.472 7.166 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.611 9.381 6.808 1.00 0.00 H new ATOM 137 N THR A 13 1.551 6.322 4.167 1.00 0.00 N ATOM 138 CA THR A 13 1.018 5.162 3.392 1.00 0.00 C ATOM 139 C THR A 13 1.140 5.492 1.901 1.00 0.00 C ATOM 140 O THR A 13 1.105 6.643 1.520 1.00 0.00 O ATOM 141 CB THR A 13 -0.458 4.951 3.771 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.074 6.219 3.943 1.00 0.00 O ATOM 143 CG2 THR A 13 -0.586 4.150 5.087 1.00 0.00 C ATOM 0 H THR A 13 1.238 7.234 3.835 1.00 0.00 H new ATOM 0 HA THR A 13 1.575 4.252 3.613 1.00 0.00 H new ATOM 0 HB THR A 13 -0.944 4.389 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.040 6.136 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.640 4.016 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.115 3.175 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.094 4.694 5.893 1.00 0.00 H new ATOM 151 N LEU A 14 1.309 4.499 1.058 1.00 0.00 N ATOM 152 CA LEU A 14 1.464 4.761 -0.416 1.00 0.00 C ATOM 153 C LEU A 14 0.252 4.227 -1.187 1.00 0.00 C ATOM 154 O LEU A 14 -0.342 3.236 -0.828 1.00 0.00 O ATOM 155 CB LEU A 14 2.747 4.061 -0.913 1.00 0.00 C ATOM 156 CG LEU A 14 3.947 5.011 -0.801 1.00 0.00 C ATOM 157 CD1 LEU A 14 4.264 5.286 0.671 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.160 4.374 -1.477 1.00 0.00 C ATOM 0 H LEU A 14 1.347 3.515 1.325 1.00 0.00 H new ATOM 0 HA LEU A 14 1.533 5.835 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.930 3.161 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.620 3.745 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 14 3.706 5.954 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.117 5.961 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.399 5.745 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.502 4.348 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.015 5.046 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.396 3.429 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.937 4.191 -2.528 1.00 0.00 H new ATOM 170 N THR A 15 -0.102 4.881 -2.260 1.00 0.00 N ATOM 171 CA THR A 15 -1.260 4.424 -3.075 1.00 0.00 C ATOM 172 C THR A 15 -0.832 3.263 -3.958 1.00 0.00 C ATOM 173 O THR A 15 0.316 2.866 -3.965 1.00 0.00 O ATOM 174 CB THR A 15 -1.734 5.570 -3.965 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.607 6.216 -4.535 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.523 6.571 -3.132 1.00 0.00 C ATOM 0 H THR A 15 0.366 5.718 -2.608 1.00 0.00 H new ATOM 0 HA THR A 15 -2.066 4.108 -2.412 1.00 0.00 H new ATOM 0 HB THR A 15 -2.372 5.177 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.862 7.113 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.861 7.388 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.387 6.075 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.887 6.967 -2.340 1.00 0.00 H new ATOM 184 N ILE A 16 -1.739 2.727 -4.722 1.00 0.00 N ATOM 185 CA ILE A 16 -1.365 1.617 -5.613 1.00 0.00 C ATOM 186 C ILE A 16 -0.304 2.143 -6.580 1.00 0.00 C ATOM 187 O ILE A 16 0.640 1.459 -6.920 1.00 0.00 O ATOM 188 CB ILE A 16 -2.598 1.155 -6.408 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.534 0.316 -5.506 1.00 0.00 C ATOM 190 CG2 ILE A 16 -2.151 0.339 -7.634 1.00 0.00 C ATOM 191 CD1 ILE A 16 -3.077 -1.148 -5.451 1.00 0.00 C ATOM 0 H ILE A 16 -2.717 3.013 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.983 0.774 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.150 2.030 -6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.547 0.735 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.554 0.368 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.028 0.014 -8.194 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.521 0.958 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.587 -0.534 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.752 -1.716 -4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.089 -1.571 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.066 -1.199 -5.048 1.00 0.00 H new ATOM 203 N GLU A 17 -0.464 3.360 -7.030 1.00 0.00 N ATOM 204 CA GLU A 17 0.529 3.929 -7.979 1.00 0.00 C ATOM 205 C GLU A 17 1.842 4.171 -7.239 1.00 0.00 C ATOM 206 O GLU A 17 2.895 3.778 -7.695 1.00 0.00 O ATOM 207 CB GLU A 17 0.010 5.238 -8.595 1.00 0.00 C ATOM 208 CG GLU A 17 -0.629 6.123 -7.525 1.00 0.00 C ATOM 209 CD GLU A 17 -1.076 7.443 -8.159 1.00 0.00 C ATOM 210 OE1 GLU A 17 -1.642 7.396 -9.239 1.00 0.00 O ATOM 211 OE2 GLU A 17 -0.843 8.477 -7.554 1.00 0.00 O ATOM 0 H GLU A 17 -1.236 3.979 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 17 0.693 3.222 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.832 5.772 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.720 5.015 -9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.483 5.614 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.083 6.315 -6.723 1.00 0.00 H new ATOM 218 N GLU A 18 1.804 4.790 -6.089 1.00 0.00 N ATOM 219 CA GLU A 18 3.067 5.005 -5.350 1.00 0.00 C ATOM 220 C GLU A 18 3.606 3.639 -4.925 1.00 0.00 C ATOM 221 O GLU A 18 4.798 3.433 -4.819 1.00 0.00 O ATOM 222 CB GLU A 18 2.815 5.873 -4.113 1.00 0.00 C ATOM 223 CG GLU A 18 2.355 7.280 -4.519 1.00 0.00 C ATOM 224 CD GLU A 18 3.438 7.968 -5.354 1.00 0.00 C ATOM 225 OE1 GLU A 18 4.582 7.563 -5.253 1.00 0.00 O ATOM 226 OE2 GLU A 18 3.102 8.890 -6.080 1.00 0.00 O ATOM 0 H GLU A 18 0.962 5.149 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 18 3.789 5.517 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.058 5.406 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.726 5.941 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.429 7.217 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.140 7.872 -3.629 1.00 0.00 H new ATOM 233 N ALA A 19 2.728 2.699 -4.689 1.00 0.00 N ATOM 234 CA ALA A 19 3.176 1.338 -4.280 1.00 0.00 C ATOM 235 C ALA A 19 3.873 0.643 -5.451 1.00 0.00 C ATOM 236 O ALA A 19 4.995 0.204 -5.340 1.00 0.00 O ATOM 237 CB ALA A 19 1.969 0.504 -3.849 1.00 0.00 C ATOM 0 H ALA A 19 1.718 2.817 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 19 3.873 1.433 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.302 -0.490 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.474 0.988 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.270 0.418 -4.681 1.00 0.00 H new ATOM 243 N SER A 20 3.218 0.516 -6.572 1.00 0.00 N ATOM 244 CA SER A 20 3.868 -0.175 -7.722 1.00 0.00 C ATOM 245 C SER A 20 5.223 0.477 -8.040 1.00 0.00 C ATOM 246 O SER A 20 6.173 -0.194 -8.356 1.00 0.00 O ATOM 247 CB SER A 20 2.955 -0.107 -8.939 1.00 0.00 C ATOM 248 OG SER A 20 3.365 -1.083 -9.888 1.00 0.00 O ATOM 0 H SER A 20 2.271 0.856 -6.741 1.00 0.00 H new ATOM 0 HA SER A 20 4.040 -1.219 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.921 -0.283 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.995 0.888 -9.383 1.00 0.00 H new ATOM 0 HG SER A 20 3.013 -0.848 -10.772 1.00 0.00 H new ATOM 254 N LYS A 21 5.341 1.771 -7.955 1.00 0.00 N ATOM 255 CA LYS A 21 6.670 2.395 -8.241 1.00 0.00 C ATOM 256 C LYS A 21 7.591 2.146 -7.047 1.00 0.00 C ATOM 257 O LYS A 21 8.587 1.457 -7.136 1.00 0.00 O ATOM 258 CB LYS A 21 6.518 3.900 -8.430 1.00 0.00 C ATOM 259 CG LYS A 21 5.568 4.185 -9.597 1.00 0.00 C ATOM 260 CD LYS A 21 5.616 5.678 -9.953 1.00 0.00 C ATOM 261 CE LYS A 21 5.416 6.533 -8.693 1.00 0.00 C ATOM 262 NZ LYS A 21 6.723 6.708 -7.998 1.00 0.00 N ATOM 0 H LYS A 21 4.593 2.417 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 21 7.083 1.959 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.132 4.353 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.491 4.351 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.850 3.586 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.551 3.898 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.573 5.918 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.842 5.909 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.002 7.505 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.699 6.055 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.682 6.255 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.478 6.269 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.922 7.722 -7.883 1.00 0.00 H new ATOM 276 N TYR A 22 7.246 2.722 -5.932 1.00 0.00 N ATOM 277 CA TYR A 22 8.063 2.565 -4.687 1.00 0.00 C ATOM 278 C TYR A 22 8.149 1.076 -4.295 1.00 0.00 C ATOM 279 O TYR A 22 9.218 0.509 -4.181 1.00 0.00 O ATOM 280 CB TYR A 22 7.342 3.346 -3.578 1.00 0.00 C ATOM 281 CG TYR A 22 8.298 3.807 -2.499 1.00 0.00 C ATOM 282 CD1 TYR A 22 9.066 4.964 -2.682 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.382 3.095 -1.298 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.918 5.406 -1.661 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.235 3.530 -0.281 1.00 0.00 C ATOM 286 CZ TYR A 22 10.003 4.688 -0.460 1.00 0.00 C ATOM 287 OH TYR A 22 10.842 5.122 0.547 1.00 0.00 O ATOM 0 H TYR A 22 6.418 3.307 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 22 9.076 2.937 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.839 4.211 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.570 2.717 -3.134 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.002 5.515 -3.609 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.785 2.206 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.509 6.299 -1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.302 2.974 0.643 1.00 0.00 H new ATOM 0 HH TYR A 22 10.780 4.511 1.311 1.00 0.00 H new ATOM 297 N PHE A 23 7.018 0.453 -4.095 1.00 0.00 N ATOM 298 CA PHE A 23 6.971 -0.991 -3.714 1.00 0.00 C ATOM 299 C PHE A 23 6.811 -1.829 -4.979 1.00 0.00 C ATOM 300 O PHE A 23 5.774 -2.406 -5.204 1.00 0.00 O ATOM 301 CB PHE A 23 5.763 -1.242 -2.796 1.00 0.00 C ATOM 302 CG PHE A 23 6.102 -0.853 -1.379 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.892 0.459 -0.948 1.00 0.00 C ATOM 304 CD2 PHE A 23 6.623 -1.807 -0.498 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.204 0.823 0.367 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.935 -1.448 0.817 1.00 0.00 C ATOM 307 CZ PHE A 23 6.726 -0.131 1.250 1.00 0.00 C ATOM 0 H PHE A 23 6.103 0.895 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 23 7.889 -1.263 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.905 -0.667 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.479 -2.293 -2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.489 1.193 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.784 -2.821 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.043 1.838 0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.336 -2.184 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.968 0.148 2.265 1.00 0.00 H new ATOM 317 N ARG A 24 7.807 -1.872 -5.815 1.00 0.00 N ATOM 318 CA ARG A 24 7.686 -2.658 -7.083 1.00 0.00 C ATOM 319 C ARG A 24 7.036 -4.016 -6.825 1.00 0.00 C ATOM 320 O ARG A 24 7.687 -5.013 -6.587 1.00 0.00 O ATOM 321 CB ARG A 24 9.064 -2.837 -7.734 1.00 0.00 C ATOM 322 CG ARG A 24 9.534 -1.504 -8.380 1.00 0.00 C ATOM 323 CD ARG A 24 10.422 -0.725 -7.400 1.00 0.00 C ATOM 324 NE ARG A 24 10.960 0.490 -8.077 1.00 0.00 N ATOM 325 CZ ARG A 24 11.501 1.447 -7.372 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.566 1.347 -6.072 1.00 0.00 N ATOM 327 NH2 ARG A 24 11.979 2.505 -7.968 1.00 0.00 N ATOM 0 H ARG A 24 8.701 -1.399 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 24 7.046 -2.102 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.788 -3.161 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.017 -3.619 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.086 -1.710 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.669 -0.901 -8.657 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.847 -0.439 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.242 -1.355 -7.055 1.00 0.00 H new ATOM 0 HE ARG A 24 10.905 0.574 -9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.194 0.520 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.989 2.096 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.930 2.584 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.402 3.253 -7.418 1.00 0.00 H new ATOM 341 N ILE A 25 5.733 -4.033 -6.895 1.00 0.00 N ATOM 342 CA ILE A 25 4.942 -5.281 -6.687 1.00 0.00 C ATOM 343 C ILE A 25 3.884 -5.326 -7.806 1.00 0.00 C ATOM 344 O ILE A 25 3.570 -4.316 -8.405 1.00 0.00 O ATOM 345 CB ILE A 25 4.281 -5.222 -5.271 1.00 0.00 C ATOM 346 CG1 ILE A 25 4.964 -6.210 -4.304 1.00 0.00 C ATOM 347 CG2 ILE A 25 2.786 -5.557 -5.323 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.388 -5.748 -3.957 1.00 0.00 C ATOM 0 H ILE A 25 5.167 -3.208 -7.094 1.00 0.00 H new ATOM 0 HA ILE A 25 5.558 -6.179 -6.729 1.00 0.00 H new ATOM 0 HB ILE A 25 4.406 -4.199 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.374 -6.297 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.000 -7.201 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.366 -5.504 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.275 -4.842 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.652 -6.563 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.846 -6.463 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.982 -5.685 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.347 -4.768 -3.482 1.00 0.00 H new ATOM 360 N GLY A 26 3.326 -6.470 -8.090 1.00 0.00 N ATOM 361 CA GLY A 26 2.292 -6.529 -9.164 1.00 0.00 C ATOM 362 C GLY A 26 1.077 -5.703 -8.741 1.00 0.00 C ATOM 363 O GLY A 26 0.419 -5.998 -7.763 1.00 0.00 O ATOM 0 H GLY A 26 3.537 -7.357 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.700 -6.145 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.998 -7.563 -9.345 1.00 0.00 H new ATOM 367 N GLU A 27 0.777 -4.670 -9.474 1.00 0.00 N ATOM 368 CA GLU A 27 -0.393 -3.814 -9.130 1.00 0.00 C ATOM 369 C GLU A 27 -1.611 -4.695 -8.825 1.00 0.00 C ATOM 370 O GLU A 27 -2.451 -4.364 -8.012 1.00 0.00 O ATOM 371 CB GLU A 27 -0.725 -2.920 -10.328 1.00 0.00 C ATOM 372 CG GLU A 27 0.549 -2.235 -10.850 1.00 0.00 C ATOM 373 CD GLU A 27 1.274 -3.157 -11.838 1.00 0.00 C ATOM 374 OE1 GLU A 27 0.633 -3.615 -12.770 1.00 0.00 O ATOM 375 OE2 GLU A 27 2.455 -3.391 -11.641 1.00 0.00 O ATOM 0 H GLU A 27 1.295 -4.379 -10.303 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.151 -3.208 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.177 -3.516 -11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.458 -2.167 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.292 -1.295 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.208 -1.991 -10.017 1.00 0.00 H new ATOM 382 N ASN A 28 -1.720 -5.802 -9.507 1.00 0.00 N ATOM 383 CA ASN A 28 -2.888 -6.713 -9.315 1.00 0.00 C ATOM 384 C ASN A 28 -2.910 -7.325 -7.909 1.00 0.00 C ATOM 385 O ASN A 28 -3.964 -7.573 -7.361 1.00 0.00 O ATOM 386 CB ASN A 28 -2.816 -7.840 -10.344 1.00 0.00 C ATOM 387 CG ASN A 28 -3.076 -7.274 -11.741 1.00 0.00 C ATOM 388 OD1 ASN A 28 -3.659 -7.933 -12.577 1.00 0.00 O ATOM 389 ND2 ASN A 28 -2.665 -6.069 -12.029 1.00 0.00 N ATOM 0 H ASN A 28 -1.041 -6.120 -10.199 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.797 -6.125 -9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.836 -8.316 -10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.552 -8.609 -10.109 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.834 -5.681 -12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.175 -5.516 -11.326 1.00 0.00 H new ATOM 396 N LYS A 29 -1.777 -7.591 -7.320 1.00 0.00 N ATOM 397 CA LYS A 29 -1.798 -8.208 -5.960 1.00 0.00 C ATOM 398 C LYS A 29 -2.319 -7.192 -4.954 1.00 0.00 C ATOM 399 O LYS A 29 -3.257 -7.445 -4.230 1.00 0.00 O ATOM 400 CB LYS A 29 -0.386 -8.637 -5.539 1.00 0.00 C ATOM 401 CG LYS A 29 0.119 -9.795 -6.423 1.00 0.00 C ATOM 402 CD LYS A 29 0.893 -9.244 -7.622 1.00 0.00 C ATOM 403 CE LYS A 29 1.506 -10.411 -8.391 1.00 0.00 C ATOM 404 NZ LYS A 29 2.454 -9.897 -9.419 1.00 0.00 N ATOM 0 H LYS A 29 -0.852 -7.413 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.445 -9.084 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.295 -7.790 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.391 -8.946 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.760 -10.455 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.724 -10.393 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.228 -8.673 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.674 -8.562 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.027 -11.077 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.720 -10.996 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.956 -10.695 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.926 -9.376 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.142 -9.260 -8.969 1.00 0.00 H new ATOM 418 N LEU A 30 -1.712 -6.047 -4.903 1.00 0.00 N ATOM 419 CA LEU A 30 -2.159 -5.000 -3.940 1.00 0.00 C ATOM 420 C LEU A 30 -3.685 -4.869 -3.965 1.00 0.00 C ATOM 421 O LEU A 30 -4.341 -4.972 -2.948 1.00 0.00 O ATOM 422 CB LEU A 30 -1.528 -3.668 -4.337 1.00 0.00 C ATOM 423 CG LEU A 30 -0.002 -3.780 -4.272 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.632 -2.600 -5.018 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.479 -3.778 -2.810 1.00 0.00 C ATOM 0 H LEU A 30 -0.919 -5.785 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.850 -5.280 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.839 -3.393 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.873 -2.878 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 30 0.298 -4.718 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.718 -2.681 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.312 -2.614 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.317 -1.665 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.566 -3.858 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.172 -2.850 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.040 -4.624 -2.281 1.00 0.00 H new ATOM 437 N ARG A 31 -4.256 -4.633 -5.114 1.00 0.00 N ATOM 438 CA ARG A 31 -5.738 -4.486 -5.188 1.00 0.00 C ATOM 439 C ARG A 31 -6.416 -5.780 -4.724 1.00 0.00 C ATOM 440 O ARG A 31 -7.493 -5.758 -4.162 1.00 0.00 O ATOM 441 CB ARG A 31 -6.148 -4.174 -6.633 1.00 0.00 C ATOM 442 CG ARG A 31 -7.545 -3.541 -6.646 1.00 0.00 C ATOM 443 CD ARG A 31 -7.999 -3.290 -8.091 1.00 0.00 C ATOM 444 NE ARG A 31 -8.621 -4.527 -8.640 1.00 0.00 N ATOM 445 CZ ARG A 31 -9.348 -4.465 -9.722 1.00 0.00 C ATOM 446 NH1 ARG A 31 -9.514 -3.323 -10.333 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.906 -5.545 -10.197 1.00 0.00 N ATOM 0 H ARG A 31 -3.763 -4.536 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.052 -3.670 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.426 -3.496 -7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.146 -5.088 -7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.255 -4.198 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.532 -2.602 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.713 -2.467 -8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.148 -2.995 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.479 -5.421 -8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.075 -2.479 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.082 -3.275 -11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.774 -6.438 -9.722 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.474 -5.496 -11.043 1.00 0.00 H new ATOM 461 N ARG A 32 -5.798 -6.906 -4.956 1.00 0.00 N ATOM 462 CA ARG A 32 -6.415 -8.195 -4.527 1.00 0.00 C ATOM 463 C ARG A 32 -6.220 -8.384 -3.019 1.00 0.00 C ATOM 464 O ARG A 32 -7.056 -8.949 -2.344 1.00 0.00 O ATOM 465 CB ARG A 32 -5.748 -9.355 -5.272 1.00 0.00 C ATOM 466 CG ARG A 32 -6.243 -9.397 -6.727 1.00 0.00 C ATOM 467 CD ARG A 32 -7.724 -9.832 -6.799 1.00 0.00 C ATOM 468 NE ARG A 32 -8.583 -8.632 -6.999 1.00 0.00 N ATOM 469 CZ ARG A 32 -9.811 -8.774 -7.420 1.00 0.00 C ATOM 470 NH1 ARG A 32 -10.287 -9.966 -7.658 1.00 0.00 N ATOM 471 NH2 ARG A 32 -10.563 -7.723 -7.604 1.00 0.00 N ATOM 0 H ARG A 32 -4.895 -6.990 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.480 -8.177 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.665 -9.237 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.976 -10.297 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.127 -8.413 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.629 -10.089 -7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.868 -10.537 -7.618 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.008 -10.347 -5.882 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.213 -7.701 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.700 -10.788 -7.515 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.246 -10.076 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.191 -6.791 -7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.522 -7.833 -7.933 1.00 0.00 H new ATOM 485 N LEU A 33 -5.122 -7.918 -2.488 1.00 0.00 N ATOM 486 CA LEU A 33 -4.868 -8.072 -1.025 1.00 0.00 C ATOM 487 C LEU A 33 -5.909 -7.270 -0.242 1.00 0.00 C ATOM 488 O LEU A 33 -6.512 -7.759 0.692 1.00 0.00 O ATOM 489 CB LEU A 33 -3.457 -7.550 -0.696 1.00 0.00 C ATOM 490 CG LEU A 33 -2.399 -8.620 -1.037 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.058 -7.946 -1.351 1.00 0.00 C ATOM 492 CD2 LEU A 33 -2.212 -9.574 0.152 1.00 0.00 C ATOM 0 H LEU A 33 -4.387 -7.436 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.939 -9.124 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.258 -6.639 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.395 -7.291 0.361 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.740 -9.183 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.316 -8.707 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.178 -7.275 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.726 -7.376 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.463 -10.325 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.881 -9.009 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.159 -10.066 0.376 1.00 0.00 H new ATOM 504 N ALA A 34 -6.121 -6.041 -0.615 1.00 0.00 N ATOM 505 CA ALA A 34 -7.120 -5.208 0.107 1.00 0.00 C ATOM 506 C ALA A 34 -8.517 -5.785 -0.113 1.00 0.00 C ATOM 507 O ALA A 34 -9.154 -6.271 0.801 1.00 0.00 O ATOM 508 CB ALA A 34 -7.075 -3.782 -0.441 1.00 0.00 C ATOM 0 H ALA A 34 -5.646 -5.577 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.890 -5.203 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.805 -3.167 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.078 -3.367 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.310 -3.794 -1.505 1.00 0.00 H new ATOM 514 N GLU A 35 -8.998 -5.727 -1.323 1.00 0.00 N ATOM 515 CA GLU A 35 -10.355 -6.259 -1.620 1.00 0.00 C ATOM 516 C GLU A 35 -10.514 -7.659 -1.018 1.00 0.00 C ATOM 517 O GLU A 35 -11.611 -8.164 -0.890 1.00 0.00 O ATOM 518 CB GLU A 35 -10.543 -6.327 -3.137 1.00 0.00 C ATOM 519 CG GLU A 35 -10.800 -4.921 -3.685 1.00 0.00 C ATOM 520 CD GLU A 35 -11.049 -4.996 -5.192 1.00 0.00 C ATOM 521 OE1 GLU A 35 -11.359 -6.075 -5.668 1.00 0.00 O ATOM 522 OE2 GLU A 35 -10.926 -3.972 -5.845 1.00 0.00 O ATOM 0 H GLU A 35 -8.505 -5.331 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.106 -5.601 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.656 -6.754 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.379 -6.982 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.661 -4.477 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.945 -4.277 -3.479 1.00 0.00 H new ATOM 529 N GLU A 36 -9.436 -8.294 -0.646 1.00 0.00 N ATOM 530 CA GLU A 36 -9.538 -9.653 -0.055 1.00 0.00 C ATOM 531 C GLU A 36 -9.770 -9.527 1.454 1.00 0.00 C ATOM 532 O GLU A 36 -10.425 -10.353 2.060 1.00 0.00 O ATOM 533 CB GLU A 36 -8.232 -10.411 -0.338 1.00 0.00 C ATOM 534 CG GLU A 36 -8.110 -11.619 0.591 1.00 0.00 C ATOM 535 CD GLU A 36 -7.089 -12.610 0.026 1.00 0.00 C ATOM 536 OE1 GLU A 36 -5.920 -12.473 0.346 1.00 0.00 O ATOM 537 OE2 GLU A 36 -7.494 -13.488 -0.717 1.00 0.00 O ATOM 0 H GLU A 36 -8.488 -7.927 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.372 -10.201 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.211 -10.739 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.380 -9.747 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.803 -11.295 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.080 -12.105 0.699 1.00 0.00 H new ATOM 544 N ASN A 37 -9.227 -8.505 2.067 1.00 0.00 N ATOM 545 CA ASN A 37 -9.402 -8.323 3.543 1.00 0.00 C ATOM 546 C ASN A 37 -9.654 -6.848 3.864 1.00 0.00 C ATOM 547 O ASN A 37 -8.827 -6.188 4.460 1.00 0.00 O ATOM 548 CB ASN A 37 -8.129 -8.785 4.256 1.00 0.00 C ATOM 549 CG ASN A 37 -8.022 -10.308 4.173 1.00 0.00 C ATOM 550 OD1 ASN A 37 -8.983 -11.010 4.417 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.885 -10.853 3.835 1.00 0.00 N ATOM 0 H ASN A 37 -8.668 -7.786 1.608 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.255 -8.911 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.255 -8.323 3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.148 -8.467 5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.804 -11.868 3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.078 -10.264 3.630 1.00 0.00 H new ATOM 558 N LYS A 38 -10.793 -6.324 3.487 1.00 0.00 N ATOM 559 CA LYS A 38 -11.092 -4.891 3.790 1.00 0.00 C ATOM 560 C LYS A 38 -10.745 -4.595 5.255 1.00 0.00 C ATOM 561 O LYS A 38 -10.645 -3.455 5.662 1.00 0.00 O ATOM 562 CB LYS A 38 -12.586 -4.612 3.565 1.00 0.00 C ATOM 563 CG LYS A 38 -12.891 -4.486 2.065 1.00 0.00 C ATOM 564 CD LYS A 38 -12.823 -5.863 1.387 1.00 0.00 C ATOM 565 CE LYS A 38 -13.588 -5.816 0.059 1.00 0.00 C ATOM 566 NZ LYS A 38 -15.044 -5.664 0.334 1.00 0.00 N ATOM 0 H LYS A 38 -11.526 -6.824 2.984 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.498 -4.256 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.181 -5.417 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.872 -3.694 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.881 -4.053 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.177 -3.808 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.784 -6.143 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.252 -6.623 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.232 -4.984 -0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.407 -6.728 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.590 -6.074 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.284 -6.157 1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.276 -4.655 0.427 1.00 0.00 H new ATOM 580 N ASN A 39 -10.574 -5.619 6.051 1.00 0.00 N ATOM 581 CA ASN A 39 -10.248 -5.420 7.492 1.00 0.00 C ATOM 582 C ASN A 39 -8.740 -5.563 7.703 1.00 0.00 C ATOM 583 O ASN A 39 -8.266 -5.668 8.817 1.00 0.00 O ATOM 584 CB ASN A 39 -10.981 -6.482 8.312 1.00 0.00 C ATOM 585 CG ASN A 39 -12.417 -6.621 7.800 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.849 -7.702 7.453 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.180 -5.564 7.738 1.00 0.00 N ATOM 0 H ASN A 39 -10.647 -6.594 5.759 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.559 -4.424 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.462 -7.438 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.985 -6.204 9.366 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.138 -5.646 7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.818 -4.656 8.029 1.00 0.00 H new ATOM 594 N ALA A 40 -7.982 -5.570 6.643 1.00 0.00 N ATOM 595 CA ALA A 40 -6.506 -5.707 6.783 1.00 0.00 C ATOM 596 C ALA A 40 -5.990 -4.637 7.755 1.00 0.00 C ATOM 597 O ALA A 40 -6.524 -3.552 7.842 1.00 0.00 O ATOM 598 CB ALA A 40 -5.852 -5.528 5.404 1.00 0.00 C ATOM 0 H ALA A 40 -8.321 -5.487 5.685 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.256 -6.694 7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.771 -5.627 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.228 -6.290 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.093 -4.540 5.013 1.00 0.00 H new ATOM 604 N ASN A 41 -4.962 -4.937 8.493 1.00 0.00 N ATOM 605 CA ASN A 41 -4.412 -3.933 9.448 1.00 0.00 C ATOM 606 C ASN A 41 -3.499 -2.955 8.700 1.00 0.00 C ATOM 607 O ASN A 41 -3.204 -1.876 9.174 1.00 0.00 O ATOM 608 CB ASN A 41 -3.604 -4.652 10.530 1.00 0.00 C ATOM 609 CG ASN A 41 -2.685 -5.689 9.882 1.00 0.00 C ATOM 610 OD1 ASN A 41 -3.082 -6.385 8.969 1.00 0.00 O ATOM 611 ND2 ASN A 41 -1.463 -5.822 10.319 1.00 0.00 N ATOM 0 H ASN A 41 -4.477 -5.834 8.478 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.234 -3.383 9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.014 -3.931 11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.276 -5.138 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.841 -6.510 9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.129 -5.238 11.086 1.00 0.00 H new ATOM 618 N TRP A 42 -3.015 -3.349 7.549 1.00 0.00 N ATOM 619 CA TRP A 42 -2.074 -2.479 6.771 1.00 0.00 C ATOM 620 C TRP A 42 -2.797 -1.681 5.675 1.00 0.00 C ATOM 621 O TRP A 42 -2.242 -0.750 5.126 1.00 0.00 O ATOM 622 CB TRP A 42 -1.031 -3.377 6.105 1.00 0.00 C ATOM 623 CG TRP A 42 -1.741 -4.490 5.407 1.00 0.00 C ATOM 624 CD1 TRP A 42 -1.902 -5.738 5.902 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.403 -4.474 4.109 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.624 -6.489 4.992 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.955 -5.755 3.871 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.577 -3.483 3.124 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.656 -6.043 2.701 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.281 -3.770 1.943 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.821 -5.046 1.732 1.00 0.00 C ATOM 0 H TRP A 42 -3.232 -4.243 7.109 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.618 -1.769 7.461 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.435 -2.803 5.395 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.343 -3.775 6.850 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.528 -6.091 6.852 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.881 -7.466 5.132 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.167 -2.496 3.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.069 -7.028 2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.407 -3.003 1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.364 -5.260 0.823 1.00 0.00 H new ATOM 642 N LEU A 43 -4.007 -2.036 5.318 1.00 0.00 N ATOM 643 CA LEU A 43 -4.708 -1.292 4.227 1.00 0.00 C ATOM 644 C LEU A 43 -5.527 -0.137 4.814 1.00 0.00 C ATOM 645 O LEU A 43 -5.838 -0.108 5.987 1.00 0.00 O ATOM 646 CB LEU A 43 -5.602 -2.299 3.458 1.00 0.00 C ATOM 647 CG LEU A 43 -7.091 -2.279 3.916 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.223 -2.337 5.460 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.831 -1.034 3.345 1.00 0.00 C ATOM 0 H LEU A 43 -4.536 -2.804 5.732 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.989 -0.851 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.554 -2.076 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.202 -3.304 3.591 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.564 -3.176 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.277 -2.321 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.765 -3.254 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.719 -1.477 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.869 -1.043 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.343 -0.126 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.800 -1.060 2.256 1.00 0.00 H new ATOM 661 N ILE A 44 -5.862 0.825 3.997 1.00 0.00 N ATOM 662 CA ILE A 44 -6.650 1.993 4.471 1.00 0.00 C ATOM 663 C ILE A 44 -7.646 2.367 3.368 1.00 0.00 C ATOM 664 O ILE A 44 -7.412 2.113 2.204 1.00 0.00 O ATOM 665 CB ILE A 44 -5.667 3.152 4.752 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.196 3.094 6.219 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.327 4.510 4.481 1.00 0.00 C ATOM 668 CD1 ILE A 44 -3.850 3.806 6.354 1.00 0.00 C ATOM 0 H ILE A 44 -5.618 0.849 3.007 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.201 1.771 5.385 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.812 3.042 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.935 3.565 6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.104 2.057 6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.614 5.308 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.639 4.561 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.198 4.626 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.519 3.764 7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.113 3.315 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.957 4.847 6.049 1.00 0.00 H new ATOM 680 N MET A 45 -8.752 2.968 3.729 1.00 0.00 N ATOM 681 CA MET A 45 -9.774 3.367 2.710 1.00 0.00 C ATOM 682 C MET A 45 -10.098 4.849 2.878 1.00 0.00 C ATOM 683 O MET A 45 -10.722 5.256 3.838 1.00 0.00 O ATOM 684 CB MET A 45 -11.050 2.541 2.908 1.00 0.00 C ATOM 685 CG MET A 45 -10.760 1.043 2.673 1.00 0.00 C ATOM 686 SD MET A 45 -12.187 0.268 1.870 1.00 0.00 S ATOM 687 CE MET A 45 -11.788 0.776 0.178 1.00 0.00 C ATOM 0 H MET A 45 -8.993 3.201 4.692 1.00 0.00 H new ATOM 0 HA MET A 45 -9.380 3.187 1.710 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.435 2.690 3.917 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.822 2.881 2.218 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.872 0.927 2.051 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.551 0.549 3.622 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.694 1.117 -0.323 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.060 1.587 0.204 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.369 -0.070 -0.367 1.00 0.00 H new ATOM 697 N ASN A 46 -9.673 5.659 1.944 1.00 0.00 N ATOM 698 CA ASN A 46 -9.942 7.128 2.021 1.00 0.00 C ATOM 699 C ASN A 46 -11.027 7.490 1.006 1.00 0.00 C ATOM 700 O ASN A 46 -10.754 8.048 -0.038 1.00 0.00 O ATOM 701 CB ASN A 46 -8.658 7.891 1.689 1.00 0.00 C ATOM 702 CG ASN A 46 -7.582 7.555 2.724 1.00 0.00 C ATOM 703 OD1 ASN A 46 -6.404 7.674 2.452 1.00 0.00 O ATOM 704 ND2 ASN A 46 -7.939 7.137 3.908 1.00 0.00 N ATOM 0 H ASN A 46 -9.146 5.364 1.122 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.275 7.394 3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.312 7.625 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.851 8.964 1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.229 6.910 4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.928 7.037 4.137 1.00 0.00 H new ATOM 711 N GLY A 47 -12.256 7.168 1.303 1.00 0.00 N ATOM 712 CA GLY A 47 -13.360 7.482 0.353 1.00 0.00 C ATOM 713 C GLY A 47 -13.407 6.408 -0.722 1.00 0.00 C ATOM 714 O GLY A 47 -14.291 5.574 -0.749 1.00 0.00 O ATOM 0 H GLY A 47 -12.543 6.701 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.312 7.527 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.201 8.461 -0.099 1.00 0.00 H new ATOM 718 N ASN A 48 -12.462 6.426 -1.618 1.00 0.00 N ATOM 719 CA ASN A 48 -12.445 5.413 -2.706 1.00 0.00 C ATOM 720 C ASN A 48 -10.999 5.121 -3.115 1.00 0.00 C ATOM 721 O ASN A 48 -10.748 4.439 -4.089 1.00 0.00 O ATOM 722 CB ASN A 48 -13.226 5.972 -3.895 1.00 0.00 C ATOM 723 CG ASN A 48 -13.617 4.834 -4.838 1.00 0.00 C ATOM 724 OD1 ASN A 48 -14.466 4.999 -5.692 1.00 0.00 O ATOM 725 ND2 ASN A 48 -13.028 3.678 -4.718 1.00 0.00 N ATOM 0 H ASN A 48 -11.698 7.101 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.903 4.484 -2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.119 6.489 -3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.621 6.706 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.279 2.910 -5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.316 3.541 -4.001 1.00 0.00 H new ATOM 732 N ARG A 49 -10.044 5.637 -2.377 1.00 0.00 N ATOM 733 CA ARG A 49 -8.603 5.402 -2.710 1.00 0.00 C ATOM 734 C ARG A 49 -7.976 4.484 -1.659 1.00 0.00 C ATOM 735 O ARG A 49 -7.821 4.852 -0.511 1.00 0.00 O ATOM 736 CB ARG A 49 -7.858 6.739 -2.710 1.00 0.00 C ATOM 737 CG ARG A 49 -8.632 7.763 -3.549 1.00 0.00 C ATOM 738 CD ARG A 49 -8.735 7.281 -5.001 1.00 0.00 C ATOM 739 NE ARG A 49 -8.985 8.451 -5.889 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.825 8.338 -7.179 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.472 7.193 -7.696 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.023 9.370 -7.953 1.00 0.00 N ATOM 0 H ARG A 49 -10.203 6.215 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.532 4.937 -3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.744 7.103 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.855 6.607 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.629 7.907 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.129 8.729 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.815 6.776 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.542 6.555 -5.100 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.281 9.341 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.321 6.385 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.347 7.106 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.303 10.264 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.898 9.283 -8.962 1.00 0.00 H new ATOM 756 N ILE A 50 -7.603 3.294 -2.044 1.00 0.00 N ATOM 757 CA ILE A 50 -6.974 2.357 -1.070 1.00 0.00 C ATOM 758 C ILE A 50 -5.489 2.699 -0.946 1.00 0.00 C ATOM 759 O ILE A 50 -4.773 2.713 -1.928 1.00 0.00 O ATOM 760 CB ILE A 50 -7.126 0.919 -1.576 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.600 0.516 -1.523 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.307 -0.027 -0.692 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.793 -0.808 -2.264 1.00 0.00 C ATOM 0 H ILE A 50 -7.707 2.930 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.459 2.450 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.766 0.856 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.924 0.416 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.217 1.292 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.417 -1.049 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.256 0.260 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.665 0.034 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.844 -1.096 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.485 -0.692 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.188 -1.581 -1.791 1.00 0.00 H new ATOM 775 N GLN A 51 -5.016 2.978 0.250 1.00 0.00 N ATOM 776 CA GLN A 51 -3.568 3.325 0.430 1.00 0.00 C ATOM 777 C GLN A 51 -2.825 2.157 1.092 1.00 0.00 C ATOM 778 O GLN A 51 -3.358 1.445 1.923 1.00 0.00 O ATOM 779 CB GLN A 51 -3.439 4.610 1.284 1.00 0.00 C ATOM 780 CG GLN A 51 -2.287 5.481 0.750 1.00 0.00 C ATOM 781 CD GLN A 51 -2.128 6.737 1.612 1.00 0.00 C ATOM 782 OE1 GLN A 51 -2.923 6.983 2.498 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.125 7.549 1.388 1.00 0.00 N ATOM 0 H GLN A 51 -5.570 2.980 1.106 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.118 3.509 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.373 5.171 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.255 4.348 2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.359 4.910 0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.485 5.764 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.458 7.343 0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.011 8.388 1.957 1.00 0.00 H new ATOM 792 N ILE A 52 -1.592 1.965 0.705 1.00 0.00 N ATOM 793 CA ILE A 52 -0.759 0.860 1.260 1.00 0.00 C ATOM 794 C ILE A 52 0.067 1.380 2.434 1.00 0.00 C ATOM 795 O ILE A 52 0.383 2.550 2.509 1.00 0.00 O ATOM 796 CB ILE A 52 0.211 0.379 0.175 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.561 -0.058 -1.081 1.00 0.00 C ATOM 798 CG2 ILE A 52 1.044 -0.784 0.711 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.609 -1.118 -0.735 1.00 0.00 C ATOM 0 H ILE A 52 -1.117 2.542 0.011 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.409 0.049 1.589 1.00 0.00 H new ATOM 0 HB ILE A 52 0.873 1.201 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.047 0.806 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.134 -0.456 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.733 -1.125 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.610 -0.455 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.384 -1.604 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.142 -1.411 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.116 -1.990 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.316 -0.709 -0.014 1.00 0.00 H new ATOM 811 N LYS A 53 0.444 0.520 3.343 1.00 0.00 N ATOM 812 CA LYS A 53 1.275 0.983 4.490 1.00 0.00 C ATOM 813 C LYS A 53 2.730 1.069 4.029 1.00 0.00 C ATOM 814 O LYS A 53 3.150 0.354 3.143 1.00 0.00 O ATOM 815 CB LYS A 53 1.135 0.008 5.678 1.00 0.00 C ATOM 816 CG LYS A 53 1.251 0.777 7.018 1.00 0.00 C ATOM 817 CD LYS A 53 -0.132 1.242 7.487 1.00 0.00 C ATOM 818 CE LYS A 53 -0.003 1.960 8.831 1.00 0.00 C ATOM 819 NZ LYS A 53 -1.350 2.091 9.454 1.00 0.00 N ATOM 0 H LYS A 53 0.215 -0.474 3.341 1.00 0.00 H new ATOM 0 HA LYS A 53 0.939 1.965 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.174 -0.504 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.908 -0.758 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.702 0.136 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.909 1.637 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.572 1.910 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.801 0.387 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.662 1.403 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.441 2.945 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.264 2.579 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.971 2.640 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.757 1.146 9.603 1.00 0.00 H new ATOM 833 N ARG A 54 3.494 1.956 4.605 1.00 0.00 N ATOM 834 CA ARG A 54 4.920 2.114 4.186 1.00 0.00 C ATOM 835 C ARG A 54 5.850 1.462 5.216 1.00 0.00 C ATOM 836 O ARG A 54 6.846 0.858 4.869 1.00 0.00 O ATOM 837 CB ARG A 54 5.238 3.607 4.105 1.00 0.00 C ATOM 838 CG ARG A 54 6.598 3.817 3.441 1.00 0.00 C ATOM 839 CD ARG A 54 7.032 5.270 3.638 1.00 0.00 C ATOM 840 NE ARG A 54 8.227 5.553 2.794 1.00 0.00 N ATOM 841 CZ ARG A 54 8.588 6.786 2.568 1.00 0.00 C ATOM 842 NH1 ARG A 54 7.901 7.771 3.079 1.00 0.00 N ATOM 843 NH2 ARG A 54 9.634 7.036 1.831 1.00 0.00 N ATOM 0 H ARG A 54 3.192 2.582 5.352 1.00 0.00 H new ATOM 0 HA ARG A 54 5.070 1.634 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.463 4.122 3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.241 4.041 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.336 3.142 3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.538 3.583 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.217 5.943 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.264 5.452 4.687 1.00 0.00 H new ATOM 0 HE ARG A 54 8.762 4.783 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.082 7.577 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.183 8.735 2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.171 6.267 1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.915 8.001 1.655 1.00 0.00 H new ATOM 857 N LYS A 55 5.549 1.598 6.480 1.00 0.00 N ATOM 858 CA LYS A 55 6.434 1.007 7.528 1.00 0.00 C ATOM 859 C LYS A 55 6.149 -0.495 7.686 1.00 0.00 C ATOM 860 O LYS A 55 6.989 -1.325 7.402 1.00 0.00 O ATOM 861 CB LYS A 55 6.193 1.737 8.869 1.00 0.00 C ATOM 862 CG LYS A 55 4.742 2.268 8.938 1.00 0.00 C ATOM 863 CD LYS A 55 4.653 3.681 8.326 1.00 0.00 C ATOM 864 CE LYS A 55 4.993 4.737 9.387 1.00 0.00 C ATOM 865 NZ LYS A 55 3.979 4.691 10.478 1.00 0.00 N ATOM 0 H LYS A 55 4.729 2.092 6.833 1.00 0.00 H new ATOM 0 HA LYS A 55 7.475 1.129 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.378 1.056 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.895 2.564 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.075 1.591 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.407 2.293 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.340 3.765 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.650 3.855 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.988 4.553 9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.012 5.729 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.612 5.649 10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.196 4.066 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.420 4.327 11.347 1.00 0.00 H new ATOM 879 N GLN A 56 4.982 -0.850 8.147 1.00 0.00 N ATOM 880 CA GLN A 56 4.660 -2.295 8.337 1.00 0.00 C ATOM 881 C GLN A 56 4.938 -3.072 7.047 1.00 0.00 C ATOM 882 O GLN A 56 5.131 -4.271 7.064 1.00 0.00 O ATOM 883 CB GLN A 56 3.183 -2.439 8.713 1.00 0.00 C ATOM 884 CG GLN A 56 2.937 -3.828 9.305 1.00 0.00 C ATOM 885 CD GLN A 56 1.433 -4.074 9.423 1.00 0.00 C ATOM 886 OE1 GLN A 56 0.703 -3.229 9.902 1.00 0.00 O ATOM 887 NE2 GLN A 56 0.935 -5.205 9.003 1.00 0.00 N ATOM 0 H GLN A 56 4.236 -0.203 8.401 1.00 0.00 H new ATOM 0 HA GLN A 56 5.285 -2.699 9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.904 -1.671 9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.557 -2.292 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.392 -4.590 8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.407 -3.905 10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.548 -5.914 8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.067 -5.380 9.077 1.00 0.00 H new ATOM 896 N PHE A 57 4.955 -2.402 5.928 1.00 0.00 N ATOM 897 CA PHE A 57 5.214 -3.103 4.636 1.00 0.00 C ATOM 898 C PHE A 57 6.732 -3.232 4.421 1.00 0.00 C ATOM 899 O PHE A 57 7.229 -4.284 4.080 1.00 0.00 O ATOM 900 CB PHE A 57 4.571 -2.286 3.498 1.00 0.00 C ATOM 901 CG PHE A 57 4.161 -3.183 2.336 1.00 0.00 C ATOM 902 CD1 PHE A 57 5.104 -4.013 1.711 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.837 -3.167 1.869 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.727 -4.818 0.634 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.464 -3.973 0.785 1.00 0.00 C ATOM 906 CZ PHE A 57 3.411 -4.799 0.168 1.00 0.00 C ATOM 0 H PHE A 57 4.800 -1.397 5.851 1.00 0.00 H new ATOM 0 HA PHE A 57 4.781 -4.103 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.697 -1.756 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.275 -1.531 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.125 -4.029 2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.105 -2.532 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.456 -5.458 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.446 -3.957 0.426 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.124 -5.421 -0.667 1.00 0.00 H new ATOM 916 N GLU A 58 7.470 -2.171 4.613 1.00 0.00 N ATOM 917 CA GLU A 58 8.951 -2.240 4.409 1.00 0.00 C ATOM 918 C GLU A 58 9.537 -3.405 5.225 1.00 0.00 C ATOM 919 O GLU A 58 10.560 -3.961 4.875 1.00 0.00 O ATOM 920 CB GLU A 58 9.589 -0.901 4.861 1.00 0.00 C ATOM 921 CG GLU A 58 10.015 -0.063 3.646 1.00 0.00 C ATOM 922 CD GLU A 58 10.775 1.175 4.123 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.403 1.715 5.151 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.718 1.562 3.452 1.00 0.00 O ATOM 0 H GLU A 58 7.114 -1.260 4.902 1.00 0.00 H new ATOM 0 HA GLU A 58 9.168 -2.408 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.876 -0.339 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.455 -1.100 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.645 -0.657 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.139 0.234 3.070 1.00 0.00 H new ATOM 931 N LYS A 59 8.911 -3.772 6.307 1.00 0.00 N ATOM 932 CA LYS A 59 9.456 -4.888 7.133 1.00 0.00 C ATOM 933 C LYS A 59 9.224 -6.216 6.414 1.00 0.00 C ATOM 934 O LYS A 59 9.670 -7.252 6.867 1.00 0.00 O ATOM 935 CB LYS A 59 8.736 -4.918 8.496 1.00 0.00 C ATOM 936 CG LYS A 59 9.479 -4.043 9.511 1.00 0.00 C ATOM 937 CD LYS A 59 9.728 -2.645 8.916 1.00 0.00 C ATOM 938 CE LYS A 59 9.848 -1.620 10.045 1.00 0.00 C ATOM 939 NZ LYS A 59 10.199 -0.289 9.475 1.00 0.00 N ATOM 0 H LYS A 59 8.050 -3.351 6.655 1.00 0.00 H new ATOM 0 HA LYS A 59 10.524 -4.736 7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.712 -4.563 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.679 -5.943 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.895 -3.959 10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.428 -4.508 9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.639 -2.650 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.910 -2.372 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.908 -1.556 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.611 -1.935 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.280 0.407 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.106 -0.356 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.456 0.012 8.813 1.00 0.00 H new ATOM 953 N ILE A 60 8.518 -6.203 5.312 1.00 0.00 N ATOM 954 CA ILE A 60 8.245 -7.479 4.581 1.00 0.00 C ATOM 955 C ILE A 60 8.478 -7.315 3.077 1.00 0.00 C ATOM 956 O ILE A 60 8.000 -8.098 2.290 1.00 0.00 O ATOM 957 CB ILE A 60 6.791 -7.887 4.819 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.882 -6.681 4.568 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.622 -8.361 6.263 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.418 -7.117 4.646 1.00 0.00 C ATOM 0 H ILE A 60 8.119 -5.366 4.887 1.00 0.00 H new ATOM 0 HA ILE A 60 8.925 -8.244 4.954 1.00 0.00 H new ATOM 0 HB ILE A 60 6.523 -8.696 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.080 -5.904 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.092 -6.252 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.585 -8.652 6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.273 -9.217 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.888 -7.553 6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.772 -6.257 4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.225 -7.879 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.212 -7.526 5.635 1.00 0.00 H new ATOM 972 N ILE A 61 9.192 -6.316 2.656 1.00 0.00 N ATOM 973 CA ILE A 61 9.404 -6.150 1.188 1.00 0.00 C ATOM 974 C ILE A 61 10.108 -7.401 0.608 1.00 0.00 C ATOM 975 O ILE A 61 9.827 -7.819 -0.497 1.00 0.00 O ATOM 976 CB ILE A 61 10.229 -4.862 0.939 1.00 0.00 C ATOM 977 CG1 ILE A 61 9.850 -4.228 -0.414 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.732 -5.157 0.956 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.943 -5.265 -1.536 1.00 0.00 C ATOM 0 H ILE A 61 9.634 -5.614 3.250 1.00 0.00 H new ATOM 0 HA ILE A 61 8.445 -6.050 0.679 1.00 0.00 H new ATOM 0 HB ILE A 61 9.998 -4.164 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.837 -3.827 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.514 -3.391 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 61 12.286 -4.235 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 61 12.011 -5.567 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.970 -5.879 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.672 -4.800 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.963 -5.645 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.260 -6.089 -1.328 1.00 0.00 H new ATOM 991 N ASP A 62 11.027 -7.994 1.335 1.00 0.00 N ATOM 992 CA ASP A 62 11.755 -9.199 0.804 1.00 0.00 C ATOM 993 C ASP A 62 11.135 -10.508 1.321 1.00 0.00 C ATOM 994 O ASP A 62 11.550 -11.585 0.940 1.00 0.00 O ATOM 995 CB ASP A 62 13.216 -9.137 1.253 1.00 0.00 C ATOM 996 CG ASP A 62 13.912 -7.955 0.574 1.00 0.00 C ATOM 997 OD1 ASP A 62 13.879 -7.895 -0.644 1.00 0.00 O ATOM 998 OD2 ASP A 62 14.466 -7.133 1.284 1.00 0.00 O ATOM 0 H ASP A 62 11.306 -7.699 2.271 1.00 0.00 H new ATOM 0 HA ASP A 62 11.680 -9.188 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.270 -9.030 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.725 -10.067 0.999 1.00 0.00 H new ATOM 1003 N THR A 63 10.163 -10.437 2.188 1.00 0.00 N ATOM 1004 CA THR A 63 9.542 -11.691 2.727 1.00 0.00 C ATOM 1005 C THR A 63 8.435 -12.161 1.779 1.00 0.00 C ATOM 1006 O THR A 63 7.877 -13.228 1.940 1.00 0.00 O ATOM 1007 CB THR A 63 8.987 -11.389 4.142 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.720 -12.140 5.099 1.00 0.00 O ATOM 1009 CG2 THR A 63 7.488 -11.719 4.292 1.00 0.00 C ATOM 0 H THR A 63 9.769 -9.568 2.549 1.00 0.00 H new ATOM 0 HA THR A 63 10.279 -12.491 2.799 1.00 0.00 H new ATOM 0 HB THR A 63 9.099 -10.317 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.375 -11.952 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.163 -11.484 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.912 -11.127 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.327 -12.779 4.096 1.00 0.00 H new ATOM 1017 N LEU A 64 8.097 -11.369 0.810 1.00 0.00 N ATOM 1018 CA LEU A 64 7.005 -11.773 -0.111 1.00 0.00 C ATOM 1019 C LEU A 64 7.522 -12.866 -1.057 1.00 0.00 C ATOM 1020 O LEU A 64 7.278 -14.039 -0.857 1.00 0.00 O ATOM 1021 CB LEU A 64 6.524 -10.557 -0.930 1.00 0.00 C ATOM 1022 CG LEU A 64 6.748 -9.247 -0.159 1.00 0.00 C ATOM 1023 CD1 LEU A 64 6.289 -8.068 -1.017 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.954 -9.259 1.153 1.00 0.00 C ATOM 0 H LEU A 64 8.525 -10.464 0.614 1.00 0.00 H new ATOM 0 HA LEU A 64 6.166 -12.157 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.058 -10.520 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.465 -10.668 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 64 7.809 -9.149 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.447 -7.138 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.863 -8.047 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.229 -8.177 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.122 -8.325 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.891 -9.366 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.283 -10.095 1.770 1.00 0.00 H new TER 1036 LEU A 64