USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 457 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 37 SER OG : rot 180:sc= 0.0165 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 33 GLN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Set 3.1: A 10 GLN :FLIP amide:sc= 0.554 F(o=-0.55,f=1.4) USER MOD Set 3.2: A 14 THR OG1 : rot 109:sc= 0.807 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 1.19 (180deg=0.716) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -170:sc= -0.103 (180deg=-0.323) USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 0 (180deg=-1.11) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00579 X(o=-0.0058,f=-0.14) USER MOD Single : A 22 SER OG : rot -26:sc= 0.0299 USER MOD Single : A 24 MET CE :methyl -176:sc= 0 (180deg=-0.0146) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 28:sc= 0.00625 USER MOD Single : A 53 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 54 TYR OH : rot 90:sc= 0.949 USER MOD Single : A 55 THR OG1 : rot 46:sc= 0.176 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0174 USER MOD Single : A 60 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.175 -3.487 -2.418 1.00 4.21 N ATOM 2 CA GLY A 1 32.494 -2.431 -1.451 1.00 5.53 C ATOM 3 C GLY A 1 31.207 -1.940 -0.820 1.00 23.04 C ATOM 4 O GLY A 1 30.457 -2.742 -0.263 1.00 13.13 O ATOM 0 H1 GLY A 1 32.583 -4.388 -2.096 1.00 4.21 H new ATOM 0 H2 GLY A 1 31.143 -3.584 -2.499 1.00 4.21 H new ATOM 0 H3 GLY A 1 32.573 -3.239 -3.346 1.00 4.21 H new ATOM 0 HA2 GLY A 1 33.168 -2.813 -0.684 1.00 5.53 H new ATOM 0 HA3 GLY A 1 33.009 -1.608 -1.947 1.00 5.53 H new ATOM 8 N ASP A 2 30.962 -0.636 -0.913 1.00 74.21 N ATOM 9 CA ASP A 2 29.819 0.086 -0.357 1.00 21.44 C ATOM 10 C ASP A 2 28.587 -0.075 -1.257 1.00 70.31 C ATOM 11 O ASP A 2 27.937 0.895 -1.648 1.00 65.12 O ATOM 12 CB ASP A 2 30.211 1.561 -0.188 1.00 12.43 C ATOM 13 CG ASP A 2 31.134 1.770 1.005 1.00 21.04 C ATOM 14 OD1 ASP A 2 32.252 1.214 0.969 1.00 3.53 O ATOM 15 OD2 ASP A 2 30.673 2.439 1.961 1.00 34.12 O ATOM 0 H ASP A 2 31.598 -0.014 -1.411 1.00 74.21 H new ATOM 0 HA ASP A 2 29.553 -0.325 0.617 1.00 21.44 H new ATOM 0 HB2 ASP A 2 30.704 1.912 -1.095 1.00 12.43 H new ATOM 0 HB3 ASP A 2 29.312 2.163 -0.061 1.00 12.43 H new ATOM 19 N ASP A 3 28.289 -1.309 -1.656 1.00 1.32 N ATOM 20 CA ASP A 3 27.313 -1.652 -2.685 1.00 13.42 C ATOM 21 C ASP A 3 26.559 -2.916 -2.283 1.00 23.14 C ATOM 22 O ASP A 3 26.512 -3.914 -3.005 1.00 32.43 O ATOM 23 CB ASP A 3 27.978 -1.719 -4.069 1.00 25.33 C ATOM 24 CG ASP A 3 29.011 -2.831 -4.268 1.00 74.13 C ATOM 25 OD1 ASP A 3 29.743 -3.184 -3.315 1.00 11.50 O ATOM 26 OD2 ASP A 3 29.162 -3.271 -5.431 1.00 5.13 O ATOM 0 H ASP A 3 28.740 -2.131 -1.254 1.00 1.32 H new ATOM 0 HA ASP A 3 26.563 -0.865 -2.769 1.00 13.42 H new ATOM 0 HB2 ASP A 3 27.197 -1.839 -4.819 1.00 25.33 H new ATOM 0 HB3 ASP A 3 28.463 -0.762 -4.263 1.00 25.33 H new ATOM 30 N ARG A 4 25.948 -2.866 -1.094 1.00 52.45 N ATOM 31 CA ARG A 4 25.297 -3.990 -0.419 1.00 51.25 C ATOM 32 C ARG A 4 23.997 -3.522 0.239 1.00 65.31 C ATOM 33 O ARG A 4 23.520 -4.161 1.181 1.00 45.14 O ATOM 34 CB ARG A 4 26.278 -4.647 0.583 1.00 70.24 C ATOM 35 CG ARG A 4 27.177 -3.664 1.366 1.00 24.22 C ATOM 36 CD ARG A 4 27.427 -3.982 2.846 1.00 1.50 C ATOM 37 NE ARG A 4 27.612 -5.410 3.174 1.00 23.32 N ATOM 38 CZ ARG A 4 26.784 -6.140 3.938 1.00 10.31 C ATOM 39 NH1 ARG A 4 25.615 -5.667 4.354 1.00 24.03 N ATOM 40 NH2 ARG A 4 27.119 -7.370 4.298 1.00 41.52 N ATOM 0 H ARG A 4 25.892 -2.002 -0.554 1.00 52.45 H new ATOM 0 HA ARG A 4 25.027 -4.756 -1.146 1.00 51.25 H new ATOM 0 HB2 ARG A 4 25.702 -5.235 1.298 1.00 70.24 H new ATOM 0 HB3 ARG A 4 26.916 -5.343 0.038 1.00 70.24 H new ATOM 0 HG2 ARG A 4 28.142 -3.612 0.862 1.00 24.22 H new ATOM 0 HG3 ARG A 4 26.730 -2.672 1.303 1.00 24.22 H new ATOM 0 HD2 ARG A 4 28.313 -3.436 3.171 1.00 1.50 H new ATOM 0 HD3 ARG A 4 26.587 -3.601 3.427 1.00 1.50 H new ATOM 0 HE ARG A 4 28.433 -5.878 2.790 1.00 23.32 H new ATOM 0 HH11 ARG A 4 25.324 -4.725 4.094 1.00 24.03 H new ATOM 0 HH12 ARG A 4 25.008 -6.246 4.934 1.00 24.03 H new ATOM 0 HH21 ARG A 4 28.009 -7.766 3.995 1.00 41.52 H new ATOM 0 HH22 ARG A 4 26.487 -7.921 4.879 1.00 41.52 H new ATOM 51 N LYS A 5 23.459 -2.378 -0.182 1.00 34.11 N ATOM 52 CA LYS A 5 22.346 -1.702 0.430 1.00 13.42 C ATOM 53 C LYS A 5 21.472 -1.071 -0.645 1.00 4.33 C ATOM 54 O LYS A 5 21.812 -0.007 -1.175 1.00 25.23 O ATOM 55 CB LYS A 5 22.867 -0.672 1.440 1.00 71.04 C ATOM 56 CG LYS A 5 21.706 -0.252 2.354 1.00 11.44 C ATOM 57 CD LYS A 5 22.051 0.940 3.247 1.00 21.32 C ATOM 58 CE LYS A 5 22.655 0.500 4.579 1.00 24.01 C ATOM 59 NZ LYS A 5 23.142 1.669 5.328 1.00 70.23 N ATOM 0 H LYS A 5 23.815 -1.884 -1.000 1.00 34.11 H new ATOM 0 HA LYS A 5 21.725 -2.412 0.975 1.00 13.42 H new ATOM 0 HB2 LYS A 5 23.678 -1.098 2.030 1.00 71.04 H new ATOM 0 HB3 LYS A 5 23.273 0.196 0.920 1.00 71.04 H new ATOM 0 HG2 LYS A 5 20.840 -0.001 1.741 1.00 11.44 H new ATOM 0 HG3 LYS A 5 21.419 -1.097 2.980 1.00 11.44 H new ATOM 0 HD2 LYS A 5 22.754 1.591 2.727 1.00 21.32 H new ATOM 0 HD3 LYS A 5 21.151 1.526 3.433 1.00 21.32 H new ATOM 0 HE2 LYS A 5 21.907 -0.032 5.167 1.00 24.01 H new ATOM 0 HE3 LYS A 5 23.476 -0.195 4.402 1.00 24.01 H new ATOM 0 HZ1 LYS A 5 23.550 1.357 6.232 1.00 70.23 H new ATOM 0 HZ2 LYS A 5 23.870 2.160 4.770 1.00 70.23 H new ATOM 0 HZ3 LYS A 5 22.350 2.318 5.512 1.00 70.23 H new ATOM 69 N LEU A 6 20.368 -1.737 -0.961 1.00 70.35 N ATOM 70 CA LEU A 6 19.322 -1.305 -1.878 1.00 45.23 C ATOM 71 C LEU A 6 18.015 -1.146 -1.090 1.00 71.14 C ATOM 72 O LEU A 6 17.894 -1.663 0.026 1.00 54.14 O ATOM 73 CB LEU A 6 19.174 -2.332 -3.020 1.00 33.23 C ATOM 74 CG LEU A 6 20.471 -2.659 -3.794 1.00 13.51 C ATOM 75 CD1 LEU A 6 20.157 -3.615 -4.945 1.00 4.12 C ATOM 76 CD2 LEU A 6 21.145 -1.419 -4.382 1.00 53.51 C ATOM 0 H LEU A 6 20.167 -2.652 -0.557 1.00 70.35 H new ATOM 0 HA LEU A 6 19.578 -0.346 -2.328 1.00 45.23 H new ATOM 0 HB2 LEU A 6 18.777 -3.258 -2.603 1.00 33.23 H new ATOM 0 HB3 LEU A 6 18.434 -1.958 -3.728 1.00 33.23 H new ATOM 0 HG LEU A 6 21.154 -3.109 -3.074 1.00 13.51 H new ATOM 0 HD11 LEU A 6 21.074 -3.843 -5.489 1.00 4.12 H new ATOM 0 HD12 LEU A 6 19.732 -4.536 -4.547 1.00 4.12 H new ATOM 0 HD13 LEU A 6 19.441 -3.148 -5.621 1.00 4.12 H new ATOM 0 HD21 LEU A 6 22.050 -1.714 -4.913 1.00 53.51 H new ATOM 0 HD22 LEU A 6 20.462 -0.927 -5.075 1.00 53.51 H new ATOM 0 HD23 LEU A 6 21.405 -0.730 -3.578 1.00 53.51 H new ATOM 87 N MET A 7 17.052 -0.429 -1.671 1.00 65.23 N ATOM 88 CA MET A 7 15.750 -0.114 -1.086 1.00 1.23 C ATOM 89 C MET A 7 14.788 -1.304 -1.180 1.00 5.12 C ATOM 90 O MET A 7 15.149 -2.368 -1.687 1.00 41.42 O ATOM 91 CB MET A 7 15.155 1.113 -1.810 1.00 3.13 C ATOM 92 CG MET A 7 16.054 2.355 -1.741 1.00 52.32 C ATOM 93 SD MET A 7 16.601 2.841 -0.078 1.00 52.35 S ATOM 94 CE MET A 7 14.994 2.955 0.746 1.00 41.12 C ATOM 0 H MET A 7 17.165 -0.035 -2.605 1.00 65.23 H new ATOM 0 HA MET A 7 15.889 0.110 -0.028 1.00 1.23 H new ATOM 0 HB2 MET A 7 14.978 0.859 -2.855 1.00 3.13 H new ATOM 0 HB3 MET A 7 14.186 1.350 -1.371 1.00 3.13 H new ATOM 0 HG2 MET A 7 16.936 2.177 -2.356 1.00 52.32 H new ATOM 0 HG3 MET A 7 15.519 3.193 -2.187 1.00 52.32 H new ATOM 0 HE1 MET A 7 15.120 3.414 1.727 1.00 41.12 H new ATOM 0 HE2 MET A 7 14.319 3.564 0.144 1.00 41.12 H new ATOM 0 HE3 MET A 7 14.574 1.956 0.864 1.00 41.12 H new ATOM 102 N LYS A 8 13.551 -1.100 -0.707 1.00 11.40 N ATOM 103 CA LYS A 8 12.418 -1.981 -0.990 1.00 52.53 C ATOM 104 C LYS A 8 12.112 -2.007 -2.500 1.00 71.33 C ATOM 105 O LYS A 8 12.746 -1.317 -3.303 1.00 23.21 O ATOM 106 CB LYS A 8 11.177 -1.599 -0.139 1.00 2.53 C ATOM 107 CG LYS A 8 11.346 -1.985 1.338 1.00 70.02 C ATOM 108 CD LYS A 8 10.013 -1.952 2.103 1.00 11.31 C ATOM 109 CE LYS A 8 10.275 -1.979 3.613 1.00 34.43 C ATOM 110 NZ LYS A 8 9.063 -1.779 4.442 1.00 64.21 N ATOM 0 H LYS A 8 13.310 -0.308 -0.111 1.00 11.40 H new ATOM 0 HA LYS A 8 12.691 -2.995 -0.699 1.00 52.53 H new ATOM 0 HB2 LYS A 8 11.003 -0.526 -0.215 1.00 2.53 H new ATOM 0 HB3 LYS A 8 10.294 -2.094 -0.544 1.00 2.53 H new ATOM 0 HG2 LYS A 8 11.776 -2.984 1.404 1.00 70.02 H new ATOM 0 HG3 LYS A 8 12.052 -1.303 1.812 1.00 70.02 H new ATOM 0 HD2 LYS A 8 9.454 -1.054 1.838 1.00 11.31 H new ATOM 0 HD3 LYS A 8 9.399 -2.806 1.817 1.00 11.31 H new ATOM 0 HE2 LYS A 8 10.727 -2.935 3.875 1.00 34.43 H new ATOM 0 HE3 LYS A 8 11.002 -1.205 3.859 1.00 34.43 H new ATOM 0 HZ1 LYS A 8 9.328 -1.331 5.342 1.00 64.21 H new ATOM 0 HZ2 LYS A 8 8.393 -1.167 3.935 1.00 64.21 H new ATOM 0 HZ3 LYS A 8 8.616 -2.699 4.631 1.00 64.21 H new ATOM 120 N THR A 9 11.121 -2.807 -2.887 1.00 44.22 N ATOM 121 CA THR A 9 10.632 -2.982 -4.249 1.00 12.12 C ATOM 122 C THR A 9 9.131 -2.698 -4.271 1.00 23.22 C ATOM 123 O THR A 9 8.497 -2.666 -3.212 1.00 1.44 O ATOM 124 CB THR A 9 10.940 -4.419 -4.706 1.00 42.51 C ATOM 125 OG1 THR A 9 10.603 -5.329 -3.670 1.00 51.33 O ATOM 126 CG2 THR A 9 12.417 -4.574 -5.077 1.00 73.23 C ATOM 0 H THR A 9 10.610 -3.383 -2.218 1.00 44.22 H new ATOM 0 HA THR A 9 11.124 -2.291 -4.934 1.00 12.12 H new ATOM 0 HB THR A 9 10.344 -4.635 -5.593 1.00 42.51 H new ATOM 0 HG1 THR A 9 10.798 -6.244 -3.962 1.00 51.33 H new ATOM 0 HG21 THR A 9 12.606 -5.599 -5.396 1.00 73.23 H new ATOM 0 HG22 THR A 9 12.662 -3.890 -5.889 1.00 73.23 H new ATOM 0 HG23 THR A 9 13.036 -4.344 -4.210 1.00 73.23 H new ATOM 134 N GLN A 10 8.549 -2.546 -5.467 1.00 42.41 N ATOM 135 CA GLN A 10 7.109 -2.373 -5.638 1.00 33.23 C ATOM 136 C GLN A 10 6.401 -3.577 -5.023 1.00 4.50 C ATOM 137 O GLN A 10 5.432 -3.398 -4.288 1.00 22.41 O ATOM 138 CB GLN A 10 6.781 -2.187 -7.136 1.00 50.31 C ATOM 139 CG GLN A 10 5.477 -1.430 -7.440 1.00 14.11 C ATOM 140 CD GLN A 10 4.202 -2.270 -7.369 1.00 45.55 C ATOM 141 OE1 GLN A 10 3.591 -2.362 -6.204 1.00 70.11 O flip ATOM 142 NE2 GLN A 10 3.729 -2.800 -8.373 1.00 3.31 N flip ATOM 0 H GLN A 10 9.069 -2.540 -6.344 1.00 42.41 H new ATOM 0 HA GLN A 10 6.756 -1.477 -5.126 1.00 33.23 H new ATOM 0 HB2 GLN A 10 7.607 -1.655 -7.608 1.00 50.31 H new ATOM 0 HB3 GLN A 10 6.727 -3.170 -7.603 1.00 50.31 H new ATOM 0 HG2 GLN A 10 5.386 -0.601 -6.738 1.00 14.11 H new ATOM 0 HG3 GLN A 10 5.552 -0.997 -8.437 1.00 14.11 H new ATOM 0 HE21 GLN A 10 4.213 -2.721 -9.268 1.00 3.31 H new ATOM 0 HE22 GLN A 10 2.853 -3.319 -8.311 1.00 3.31 H new ATOM 149 N GLU A 11 6.951 -4.769 -5.282 1.00 45.52 N ATOM 150 CA GLU A 11 6.516 -6.038 -4.737 1.00 4.13 C ATOM 151 C GLU A 11 6.339 -5.909 -3.230 1.00 54.13 C ATOM 152 O GLU A 11 5.234 -6.121 -2.748 1.00 44.35 O ATOM 153 CB GLU A 11 7.525 -7.142 -5.115 1.00 62.33 C ATOM 154 CG GLU A 11 6.807 -8.404 -5.603 1.00 34.40 C ATOM 155 CD GLU A 11 7.790 -9.416 -6.191 1.00 25.43 C ATOM 156 OE1 GLU A 11 8.124 -9.294 -7.396 1.00 65.45 O ATOM 157 OE2 GLU A 11 8.234 -10.332 -5.460 1.00 71.14 O ATOM 0 H GLU A 11 7.749 -4.868 -5.909 1.00 45.52 H new ATOM 0 HA GLU A 11 5.552 -6.320 -5.160 1.00 4.13 H new ATOM 0 HB2 GLU A 11 8.193 -6.776 -5.894 1.00 62.33 H new ATOM 0 HB3 GLU A 11 8.144 -7.384 -4.251 1.00 62.33 H new ATOM 0 HG2 GLU A 11 6.266 -8.860 -4.774 1.00 34.40 H new ATOM 0 HG3 GLU A 11 6.067 -8.134 -6.356 1.00 34.40 H new ATOM 162 N GLU A 12 7.385 -5.526 -2.491 1.00 72.02 N ATOM 163 CA GLU A 12 7.285 -5.460 -1.040 1.00 44.54 C ATOM 164 C GLU A 12 6.256 -4.428 -0.598 1.00 63.14 C ATOM 165 O GLU A 12 5.467 -4.752 0.283 1.00 42.33 O ATOM 166 CB GLU A 12 8.642 -5.185 -0.386 1.00 12.52 C ATOM 167 CG GLU A 12 9.529 -6.437 -0.430 1.00 44.21 C ATOM 168 CD GLU A 12 10.602 -6.431 0.660 1.00 74.01 C ATOM 169 OE1 GLU A 12 10.264 -6.447 1.869 1.00 64.24 O ATOM 170 OE2 GLU A 12 11.797 -6.448 0.305 1.00 3.54 O ATOM 0 H GLU A 12 8.294 -5.262 -2.871 1.00 72.02 H new ATOM 0 HA GLU A 12 6.948 -6.440 -0.703 1.00 44.54 H new ATOM 0 HB2 GLU A 12 9.139 -4.363 -0.900 1.00 12.52 H new ATOM 0 HB3 GLU A 12 8.496 -4.873 0.648 1.00 12.52 H new ATOM 0 HG2 GLU A 12 8.906 -7.324 -0.318 1.00 44.21 H new ATOM 0 HG3 GLU A 12 10.008 -6.505 -1.407 1.00 44.21 H new ATOM 175 N LEU A 13 6.225 -3.219 -1.178 1.00 42.22 N ATOM 176 CA LEU A 13 5.264 -2.203 -0.744 1.00 52.45 C ATOM 177 C LEU A 13 3.840 -2.754 -0.829 1.00 61.33 C ATOM 178 O LEU A 13 3.074 -2.624 0.130 1.00 42.45 O ATOM 179 CB LEU A 13 5.481 -0.879 -1.521 1.00 71.41 C ATOM 180 CG LEU A 13 6.890 -0.293 -1.253 1.00 71.02 C ATOM 181 CD1 LEU A 13 6.964 1.156 -1.703 1.00 51.13 C ATOM 182 CD2 LEU A 13 7.372 -0.320 0.204 1.00 42.12 C ATOM 0 H LEU A 13 6.844 -2.927 -1.935 1.00 42.22 H new ATOM 0 HA LEU A 13 5.430 -1.957 0.305 1.00 52.45 H new ATOM 0 HB2 LEU A 13 5.356 -1.057 -2.589 1.00 71.41 H new ATOM 0 HB3 LEU A 13 4.722 -0.154 -1.228 1.00 71.41 H new ATOM 0 HG LEU A 13 7.540 -0.956 -1.824 1.00 71.02 H new ATOM 0 HD11 LEU A 13 7.962 1.548 -1.506 1.00 51.13 H new ATOM 0 HD12 LEU A 13 6.755 1.216 -2.771 1.00 51.13 H new ATOM 0 HD13 LEU A 13 6.228 1.745 -1.156 1.00 51.13 H new ATOM 0 HD21 LEU A 13 8.369 0.116 0.266 1.00 42.12 H new ATOM 0 HD22 LEU A 13 6.685 0.255 0.825 1.00 42.12 H new ATOM 0 HD23 LEU A 13 7.404 -1.351 0.558 1.00 42.12 H new ATOM 193 N THR A 14 3.513 -3.424 -1.933 1.00 30.13 N ATOM 194 CA THR A 14 2.274 -4.175 -2.088 1.00 5.51 C ATOM 195 C THR A 14 2.138 -5.270 -1.020 1.00 50.44 C ATOM 196 O THR A 14 1.153 -5.258 -0.284 1.00 14.12 O ATOM 197 CB THR A 14 2.169 -4.679 -3.543 1.00 21.11 C ATOM 198 OG1 THR A 14 1.809 -3.582 -4.367 1.00 33.00 O ATOM 199 CG2 THR A 14 1.167 -5.814 -3.762 1.00 14.20 C ATOM 0 H THR A 14 4.113 -3.459 -2.757 1.00 30.13 H new ATOM 0 HA THR A 14 1.416 -3.526 -1.914 1.00 5.51 H new ATOM 0 HB THR A 14 3.144 -5.094 -3.797 1.00 21.11 H new ATOM 0 HG1 THR A 14 2.576 -3.322 -4.919 1.00 33.00 H new ATOM 0 HG21 THR A 14 1.165 -6.099 -4.814 1.00 14.20 H new ATOM 0 HG22 THR A 14 1.451 -6.673 -3.154 1.00 14.20 H new ATOM 0 HG23 THR A 14 0.170 -5.480 -3.475 1.00 14.20 H new ATOM 207 N GLU A 15 3.067 -6.223 -0.932 1.00 45.41 N ATOM 208 CA GLU A 15 2.928 -7.443 -0.132 1.00 10.30 C ATOM 209 C GLU A 15 2.802 -7.136 1.368 1.00 14.54 C ATOM 210 O GLU A 15 2.148 -7.887 2.092 1.00 22.11 O ATOM 211 CB GLU A 15 4.124 -8.375 -0.381 1.00 52.41 C ATOM 212 CG GLU A 15 4.229 -8.907 -1.826 1.00 43.54 C ATOM 213 CD GLU A 15 3.389 -10.143 -2.148 1.00 52.45 C ATOM 214 OE1 GLU A 15 2.138 -10.042 -2.180 1.00 5.34 O ATOM 215 OE2 GLU A 15 3.993 -11.168 -2.545 1.00 23.32 O ATOM 0 H GLU A 15 3.958 -6.168 -1.426 1.00 45.41 H new ATOM 0 HA GLU A 15 2.008 -7.938 -0.444 1.00 10.30 H new ATOM 0 HB2 GLU A 15 5.042 -7.841 -0.136 1.00 52.41 H new ATOM 0 HB3 GLU A 15 4.057 -9.223 0.301 1.00 52.41 H new ATOM 0 HG2 GLU A 15 3.940 -8.108 -2.508 1.00 43.54 H new ATOM 0 HG3 GLU A 15 5.274 -9.139 -2.032 1.00 43.54 H new ATOM 220 N ILE A 16 3.368 -6.021 1.843 1.00 1.34 N ATOM 221 CA ILE A 16 3.153 -5.520 3.199 1.00 51.33 C ATOM 222 C ILE A 16 1.664 -5.195 3.355 1.00 65.22 C ATOM 223 O ILE A 16 0.967 -5.806 4.162 1.00 5.14 O ATOM 224 CB ILE A 16 4.007 -4.248 3.447 1.00 44.25 C ATOM 225 CG1 ILE A 16 5.534 -4.452 3.366 1.00 65.32 C ATOM 226 CG2 ILE A 16 3.688 -3.623 4.814 1.00 62.13 C ATOM 227 CD1 ILE A 16 6.253 -3.132 3.047 1.00 21.22 C ATOM 0 H ILE A 16 3.994 -5.437 1.289 1.00 1.34 H new ATOM 0 HA ILE A 16 3.453 -6.273 3.927 1.00 51.33 H new ATOM 0 HB ILE A 16 3.726 -3.588 2.627 1.00 44.25 H new ATOM 0 HG12 ILE A 16 5.901 -4.850 4.312 1.00 65.32 H new ATOM 0 HG13 ILE A 16 5.765 -5.190 2.598 1.00 65.32 H new ATOM 0 HG21 ILE A 16 4.301 -2.734 4.960 1.00 62.13 H new ATOM 0 HG22 ILE A 16 2.634 -3.347 4.851 1.00 62.13 H new ATOM 0 HG23 ILE A 16 3.902 -4.344 5.603 1.00 62.13 H new ATOM 0 HD11 ILE A 16 7.328 -3.306 2.996 1.00 21.22 H new ATOM 0 HD12 ILE A 16 5.902 -2.749 2.089 1.00 21.22 H new ATOM 0 HD13 ILE A 16 6.040 -2.403 3.829 1.00 21.22 H new ATOM 238 N VAL A 17 1.176 -4.211 2.592 1.00 70.31 N ATOM 239 CA VAL A 17 -0.176 -3.678 2.723 1.00 71.33 C ATOM 240 C VAL A 17 -1.192 -4.800 2.480 1.00 1.21 C ATOM 241 O VAL A 17 -2.239 -4.838 3.122 1.00 64.25 O ATOM 242 CB VAL A 17 -0.341 -2.482 1.760 1.00 64.24 C ATOM 243 CG1 VAL A 17 -1.748 -1.876 1.798 1.00 65.24 C ATOM 244 CG2 VAL A 17 0.645 -1.351 2.104 1.00 72.32 C ATOM 0 H VAL A 17 1.720 -3.759 1.857 1.00 70.31 H new ATOM 0 HA VAL A 17 -0.357 -3.305 3.731 1.00 71.33 H new ATOM 0 HB VAL A 17 -0.146 -2.887 0.767 1.00 64.24 H new ATOM 0 HG11 VAL A 17 -1.803 -1.040 1.101 1.00 65.24 H new ATOM 0 HG12 VAL A 17 -2.478 -2.634 1.514 1.00 65.24 H new ATOM 0 HG13 VAL A 17 -1.965 -1.523 2.806 1.00 65.24 H new ATOM 0 HG21 VAL A 17 0.505 -0.523 1.409 1.00 72.32 H new ATOM 0 HG22 VAL A 17 0.462 -1.006 3.122 1.00 72.32 H new ATOM 0 HG23 VAL A 17 1.667 -1.722 2.025 1.00 72.32 H new ATOM 254 N ARG A 18 -0.870 -5.747 1.599 1.00 45.52 N ATOM 255 CA ARG A 18 -1.625 -6.962 1.362 1.00 44.22 C ATOM 256 C ARG A 18 -1.731 -7.767 2.650 1.00 3.12 C ATOM 257 O ARG A 18 -2.839 -7.945 3.143 1.00 12.10 O ATOM 258 CB ARG A 18 -0.918 -7.752 0.258 1.00 73.02 C ATOM 259 CG ARG A 18 -1.775 -8.877 -0.320 1.00 32.02 C ATOM 260 CD ARG A 18 -0.855 -9.900 -0.990 1.00 22.30 C ATOM 261 NE ARG A 18 -1.593 -11.083 -1.444 1.00 32.43 N ATOM 262 CZ ARG A 18 -1.123 -11.970 -2.330 1.00 5.13 C ATOM 263 NH1 ARG A 18 0.114 -11.872 -2.812 1.00 31.40 N ATOM 264 NH2 ARG A 18 -1.912 -12.955 -2.740 1.00 34.41 N ATOM 0 H ARG A 18 -0.040 -5.679 1.010 1.00 45.52 H new ATOM 0 HA ARG A 18 -2.641 -6.732 1.041 1.00 44.22 H new ATOM 0 HB2 ARG A 18 -0.636 -7.070 -0.544 1.00 73.02 H new ATOM 0 HB3 ARG A 18 0.004 -8.175 0.656 1.00 73.02 H new ATOM 0 HG2 ARG A 18 -2.357 -9.352 0.470 1.00 32.02 H new ATOM 0 HG3 ARG A 18 -2.486 -8.477 -1.043 1.00 32.02 H new ATOM 0 HD2 ARG A 18 -0.354 -9.436 -1.840 1.00 22.30 H new ATOM 0 HD3 ARG A 18 -0.078 -10.204 -0.289 1.00 22.30 H new ATOM 0 HE ARG A 18 -2.525 -11.240 -1.060 1.00 32.43 H new ATOM 0 HH11 ARG A 18 0.721 -11.112 -2.507 1.00 31.40 H new ATOM 0 HH12 ARG A 18 0.454 -12.557 -3.486 1.00 31.40 H new ATOM 0 HH21 ARG A 18 -2.864 -13.029 -2.380 1.00 34.41 H new ATOM 0 HH22 ARG A 18 -1.567 -13.638 -3.415 1.00 34.41 H new ATOM 275 N ASP A 19 -0.603 -8.241 3.190 1.00 54.52 N ATOM 276 CA ASP A 19 -0.583 -9.128 4.354 1.00 64.34 C ATOM 277 C ASP A 19 -1.224 -8.470 5.569 1.00 70.14 C ATOM 278 O ASP A 19 -1.778 -9.141 6.434 1.00 30.43 O ATOM 279 CB ASP A 19 0.855 -9.523 4.717 1.00 42.13 C ATOM 280 CG ASP A 19 0.862 -10.690 5.715 1.00 62.13 C ATOM 281 OD1 ASP A 19 0.318 -11.770 5.385 1.00 34.22 O ATOM 282 OD2 ASP A 19 1.435 -10.521 6.819 1.00 12.54 O ATOM 0 H ASP A 19 0.325 -8.018 2.829 1.00 54.52 H new ATOM 0 HA ASP A 19 -1.154 -10.016 4.082 1.00 64.34 H new ATOM 0 HB2 ASP A 19 1.398 -9.806 3.815 1.00 42.13 H new ATOM 0 HB3 ASP A 19 1.375 -8.667 5.147 1.00 42.13 H new ATOM 286 N HIS A 20 -1.157 -7.141 5.640 1.00 63.45 N ATOM 287 CA HIS A 20 -1.815 -6.385 6.690 1.00 33.30 C ATOM 288 C HIS A 20 -3.326 -6.391 6.440 1.00 10.11 C ATOM 289 O HIS A 20 -4.086 -6.858 7.283 1.00 53.52 O ATOM 290 CB HIS A 20 -1.222 -4.969 6.780 1.00 3.40 C ATOM 291 CG HIS A 20 0.228 -4.921 7.225 1.00 22.03 C ATOM 292 ND1 HIS A 20 1.073 -5.993 7.429 1.00 22.44 N ATOM 293 CD2 HIS A 20 0.942 -3.788 7.507 1.00 14.40 C ATOM 294 CE1 HIS A 20 2.261 -5.512 7.833 1.00 73.21 C ATOM 295 NE2 HIS A 20 2.226 -4.170 7.913 1.00 11.53 N ATOM 0 H HIS A 20 -0.646 -6.565 4.971 1.00 63.45 H new ATOM 0 HA HIS A 20 -1.642 -6.849 7.661 1.00 33.30 H new ATOM 0 HB2 HIS A 20 -1.305 -4.491 5.804 1.00 3.40 H new ATOM 0 HB3 HIS A 20 -1.822 -4.381 7.475 1.00 3.40 H new ATOM 0 HD2 HIS A 20 0.578 -2.774 7.430 1.00 14.40 H new ATOM 0 HE1 HIS A 20 3.124 -6.119 8.062 1.00 73.21 H new ATOM 0 HE2 HIS A 20 2.983 -3.554 8.210 1.00 11.53 H new ATOM 302 N PHE A 21 -3.784 -5.870 5.300 1.00 30.23 N ATOM 303 CA PHE A 21 -5.199 -5.598 5.071 1.00 2.10 C ATOM 304 C PHE A 21 -6.039 -6.856 4.876 1.00 3.53 C ATOM 305 O PHE A 21 -7.243 -6.825 5.138 1.00 51.33 O ATOM 306 CB PHE A 21 -5.330 -4.704 3.835 1.00 14.42 C ATOM 307 CG PHE A 21 -6.665 -4.019 3.593 1.00 54.21 C ATOM 308 CD1 PHE A 21 -7.489 -3.628 4.668 1.00 5.30 C ATOM 309 CD2 PHE A 21 -6.952 -3.543 2.301 1.00 14.42 C ATOM 310 CE1 PHE A 21 -8.537 -2.716 4.471 1.00 3.31 C ATOM 311 CE2 PHE A 21 -8.004 -2.633 2.107 1.00 4.42 C ATOM 312 CZ PHE A 21 -8.799 -2.216 3.188 1.00 45.35 C ATOM 0 H PHE A 21 -3.183 -5.626 4.513 1.00 30.23 H new ATOM 0 HA PHE A 21 -5.582 -5.107 5.965 1.00 2.10 H new ATOM 0 HB2 PHE A 21 -4.564 -3.931 3.898 1.00 14.42 H new ATOM 0 HB3 PHE A 21 -5.101 -5.309 2.958 1.00 14.42 H new ATOM 0 HD1 PHE A 21 -7.312 -4.034 5.653 1.00 5.30 H new ATOM 0 HD2 PHE A 21 -6.364 -3.877 1.459 1.00 14.42 H new ATOM 0 HE1 PHE A 21 -9.142 -2.399 5.308 1.00 3.31 H new ATOM 0 HE2 PHE A 21 -8.204 -2.250 1.117 1.00 4.42 H new ATOM 0 HZ PHE A 21 -9.606 -1.515 3.031 1.00 45.35 H new ATOM 321 N SER A 22 -5.431 -7.956 4.430 1.00 12.33 N ATOM 322 CA SER A 22 -6.095 -9.210 4.096 1.00 23.14 C ATOM 323 C SER A 22 -6.840 -9.835 5.294 1.00 61.01 C ATOM 324 O SER A 22 -7.586 -10.797 5.096 1.00 14.14 O ATOM 325 CB SER A 22 -5.054 -10.119 3.441 1.00 43.33 C ATOM 326 OG SER A 22 -5.547 -11.310 2.856 1.00 52.42 O ATOM 0 H SER A 22 -4.422 -7.996 4.287 1.00 12.33 H new ATOM 0 HA SER A 22 -6.902 -9.038 3.383 1.00 23.14 H new ATOM 0 HB2 SER A 22 -4.536 -9.548 2.671 1.00 43.33 H new ATOM 0 HB3 SER A 22 -4.312 -10.388 4.193 1.00 43.33 H new ATOM 0 HG SER A 22 -6.383 -11.570 3.297 1.00 52.42 H new ATOM 331 N ASP A 23 -6.679 -9.324 6.523 1.00 13.52 N ATOM 332 CA ASP A 23 -7.417 -9.793 7.703 1.00 44.54 C ATOM 333 C ASP A 23 -8.587 -8.884 8.086 1.00 3.13 C ATOM 334 O ASP A 23 -9.321 -9.193 9.027 1.00 11.34 O ATOM 335 CB ASP A 23 -6.481 -10.046 8.896 1.00 21.12 C ATOM 336 CG ASP A 23 -6.432 -8.938 9.961 1.00 64.14 C ATOM 337 OD1 ASP A 23 -5.859 -7.862 9.702 1.00 53.33 O ATOM 338 OD2 ASP A 23 -6.958 -9.167 11.077 1.00 24.51 O ATOM 0 H ASP A 23 -6.027 -8.567 6.727 1.00 13.52 H new ATOM 0 HA ASP A 23 -7.859 -10.748 7.419 1.00 44.54 H new ATOM 0 HB2 ASP A 23 -6.784 -10.974 9.380 1.00 21.12 H new ATOM 0 HB3 ASP A 23 -5.472 -10.200 8.514 1.00 21.12 H new ATOM 342 N MET A 24 -8.796 -7.778 7.370 1.00 31.33 N ATOM 343 CA MET A 24 -9.800 -6.770 7.700 1.00 54.44 C ATOM 344 C MET A 24 -10.917 -6.690 6.654 1.00 73.44 C ATOM 345 O MET A 24 -11.736 -5.764 6.706 1.00 31.41 O ATOM 346 CB MET A 24 -9.124 -5.426 8.010 1.00 73.44 C ATOM 347 CG MET A 24 -8.142 -5.590 9.177 1.00 33.33 C ATOM 348 SD MET A 24 -7.537 -4.062 9.936 1.00 44.35 S ATOM 349 CE MET A 24 -6.428 -3.582 8.595 1.00 32.04 C ATOM 0 H MET A 24 -8.262 -7.555 6.530 1.00 31.33 H new ATOM 0 HA MET A 24 -10.314 -7.076 8.611 1.00 54.44 H new ATOM 0 HB2 MET A 24 -8.596 -5.063 7.128 1.00 73.44 H new ATOM 0 HB3 MET A 24 -9.878 -4.679 8.260 1.00 73.44 H new ATOM 0 HG2 MET A 24 -8.625 -6.188 9.950 1.00 33.33 H new ATOM 0 HG3 MET A 24 -7.283 -6.160 8.824 1.00 33.33 H new ATOM 0 HE1 MET A 24 -5.881 -2.683 8.879 1.00 32.04 H new ATOM 0 HE2 MET A 24 -5.722 -4.389 8.400 1.00 32.04 H new ATOM 0 HE3 MET A 24 -7.010 -3.383 7.695 1.00 32.04 H new ATOM 357 N GLY A 25 -10.981 -7.648 5.728 1.00 64.01 N ATOM 358 CA GLY A 25 -11.999 -7.724 4.691 1.00 50.51 C ATOM 359 C GLY A 25 -11.430 -8.311 3.402 1.00 74.23 C ATOM 360 O GLY A 25 -10.398 -8.989 3.433 1.00 71.33 O ATOM 0 H GLY A 25 -10.306 -8.411 5.681 1.00 64.01 H new ATOM 0 HA2 GLY A 25 -12.830 -8.338 5.038 1.00 50.51 H new ATOM 0 HA3 GLY A 25 -12.398 -6.729 4.496 1.00 50.51 H new ATOM 364 N GLU A 26 -12.110 -8.090 2.273 1.00 41.45 N ATOM 365 CA GLU A 26 -11.884 -8.824 1.031 1.00 3.54 C ATOM 366 C GLU A 26 -11.683 -7.881 -0.161 1.00 22.24 C ATOM 367 O GLU A 26 -12.616 -7.354 -0.773 1.00 54.31 O ATOM 368 CB GLU A 26 -12.971 -9.886 0.850 1.00 45.12 C ATOM 369 CG GLU A 26 -12.807 -10.913 1.980 1.00 45.41 C ATOM 370 CD GLU A 26 -13.620 -12.186 1.839 1.00 44.44 C ATOM 371 OE1 GLU A 26 -14.649 -12.227 1.127 1.00 54.43 O ATOM 372 OE2 GLU A 26 -13.252 -13.161 2.530 1.00 73.43 O ATOM 0 H GLU A 26 -12.843 -7.385 2.198 1.00 41.45 H new ATOM 0 HA GLU A 26 -10.941 -9.368 1.089 1.00 3.54 H new ATOM 0 HB2 GLU A 26 -13.961 -9.431 0.886 1.00 45.12 H new ATOM 0 HB3 GLU A 26 -12.877 -10.368 -0.123 1.00 45.12 H new ATOM 0 HG2 GLU A 26 -11.753 -11.183 2.050 1.00 45.41 H new ATOM 0 HG3 GLU A 26 -13.076 -10.435 2.922 1.00 45.41 H new ATOM 377 N ILE A 27 -10.402 -7.677 -0.464 1.00 25.22 N ATOM 378 CA ILE A 27 -9.850 -6.917 -1.567 1.00 24.24 C ATOM 379 C ILE A 27 -10.388 -7.502 -2.868 1.00 13.12 C ATOM 380 O ILE A 27 -10.208 -8.691 -3.142 1.00 43.13 O ATOM 381 CB ILE A 27 -8.306 -7.024 -1.475 1.00 30.30 C ATOM 382 CG1 ILE A 27 -7.737 -6.148 -0.340 1.00 10.53 C ATOM 383 CG2 ILE A 27 -7.609 -6.678 -2.796 1.00 13.51 C ATOM 384 CD1 ILE A 27 -6.409 -6.689 0.205 1.00 32.34 C ATOM 0 H ILE A 27 -9.663 -8.079 0.113 1.00 25.22 H new ATOM 0 HA ILE A 27 -10.132 -5.865 -1.532 1.00 24.24 H new ATOM 0 HB ILE A 27 -8.097 -8.070 -1.250 1.00 30.30 H new ATOM 0 HG12 ILE A 27 -7.589 -5.132 -0.707 1.00 10.53 H new ATOM 0 HG13 ILE A 27 -8.463 -6.091 0.471 1.00 10.53 H new ATOM 0 HG21 ILE A 27 -6.530 -6.770 -2.673 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -7.945 -7.363 -3.575 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -7.856 -5.655 -3.081 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -6.050 -6.037 1.002 1.00 32.34 H new ATOM 0 HD12 ILE A 27 -6.560 -7.694 0.599 1.00 32.34 H new ATOM 0 HD13 ILE A 27 -5.672 -6.721 -0.598 1.00 32.34 H new ATOM 395 N ALA A 28 -10.958 -6.657 -3.725 1.00 1.10 N ATOM 396 CA ALA A 28 -11.094 -7.010 -5.128 1.00 22.22 C ATOM 397 C ALA A 28 -9.744 -6.695 -5.775 1.00 70.04 C ATOM 398 O ALA A 28 -8.961 -7.594 -6.096 1.00 12.30 O ATOM 399 CB ALA A 28 -12.268 -6.259 -5.778 1.00 43.43 C ATOM 0 H ALA A 28 -11.326 -5.739 -3.474 1.00 1.10 H new ATOM 0 HA ALA A 28 -11.333 -8.065 -5.263 1.00 22.22 H new ATOM 0 HB1 ALA A 28 -12.345 -6.543 -6.827 1.00 43.43 H new ATOM 0 HB2 ALA A 28 -13.194 -6.516 -5.263 1.00 43.43 H new ATOM 0 HB3 ALA A 28 -12.098 -5.185 -5.705 1.00 43.43 H new ATOM 405 N THR A 29 -9.443 -5.403 -5.898 1.00 53.21 N ATOM 406 CA THR A 29 -8.262 -4.878 -6.555 1.00 4.10 C ATOM 407 C THR A 29 -7.503 -4.028 -5.547 1.00 61.41 C ATOM 408 O THR A 29 -7.960 -2.947 -5.166 1.00 5.11 O ATOM 409 CB THR A 29 -8.667 -4.088 -7.807 1.00 2.51 C ATOM 410 OG1 THR A 29 -9.531 -4.851 -8.635 1.00 74.35 O ATOM 411 CG2 THR A 29 -7.451 -3.636 -8.623 1.00 71.21 C ATOM 0 H THR A 29 -10.045 -4.669 -5.525 1.00 53.21 H new ATOM 0 HA THR A 29 -7.608 -5.681 -6.894 1.00 4.10 H new ATOM 0 HB THR A 29 -9.193 -3.200 -7.455 1.00 2.51 H new ATOM 0 HG1 THR A 29 -9.776 -4.325 -9.425 1.00 74.35 H new ATOM 0 HG21 THR A 29 -7.787 -3.081 -9.499 1.00 71.21 H new ATOM 0 HG22 THR A 29 -6.818 -2.996 -8.008 1.00 71.21 H new ATOM 0 HG23 THR A 29 -6.882 -4.509 -8.943 1.00 71.21 H new ATOM 419 N LEU A 30 -6.364 -4.524 -5.067 1.00 34.03 N ATOM 420 CA LEU A 30 -5.327 -3.695 -4.477 1.00 43.25 C ATOM 421 C LEU A 30 -4.348 -3.374 -5.587 1.00 64.13 C ATOM 422 O LEU A 30 -4.016 -4.238 -6.404 1.00 1.54 O ATOM 423 CB LEU A 30 -4.638 -4.413 -3.307 1.00 72.23 C ATOM 424 CG LEU A 30 -3.588 -3.527 -2.592 1.00 73.22 C ATOM 425 CD1 LEU A 30 -3.693 -3.745 -1.079 1.00 61.01 C ATOM 426 CD2 LEU A 30 -2.143 -3.788 -3.051 1.00 4.23 C ATOM 0 H LEU A 30 -6.138 -5.519 -5.079 1.00 34.03 H new ATOM 0 HA LEU A 30 -5.749 -2.781 -4.059 1.00 43.25 H new ATOM 0 HB2 LEU A 30 -5.392 -4.728 -2.586 1.00 72.23 H new ATOM 0 HB3 LEU A 30 -4.153 -5.317 -3.676 1.00 72.23 H new ATOM 0 HG LEU A 30 -3.813 -2.494 -2.858 1.00 73.22 H new ATOM 0 HD11 LEU A 30 -2.956 -3.124 -0.570 1.00 61.01 H new ATOM 0 HD12 LEU A 30 -4.693 -3.473 -0.741 1.00 61.01 H new ATOM 0 HD13 LEU A 30 -3.505 -4.794 -0.849 1.00 61.01 H new ATOM 0 HD21 LEU A 30 -1.464 -3.131 -2.507 1.00 4.23 H new ATOM 0 HD22 LEU A 30 -1.880 -4.827 -2.852 1.00 4.23 H new ATOM 0 HD23 LEU A 30 -2.060 -3.591 -4.120 1.00 4.23 H new ATOM 437 N TYR A 31 -3.908 -2.123 -5.620 1.00 22.34 N ATOM 438 CA TYR A 31 -2.788 -1.674 -6.415 1.00 53.31 C ATOM 439 C TYR A 31 -2.259 -0.380 -5.805 1.00 34.23 C ATOM 440 O TYR A 31 -2.789 0.151 -4.825 1.00 23.33 O ATOM 441 CB TYR A 31 -3.185 -1.485 -7.894 1.00 1.12 C ATOM 442 CG TYR A 31 -3.968 -0.235 -8.268 1.00 45.53 C ATOM 443 CD1 TYR A 31 -4.954 0.296 -7.416 1.00 11.20 C ATOM 444 CD2 TYR A 31 -3.732 0.384 -9.512 1.00 30.20 C ATOM 445 CE1 TYR A 31 -5.748 1.374 -7.823 1.00 4.20 C ATOM 446 CE2 TYR A 31 -4.516 1.478 -9.924 1.00 11.44 C ATOM 447 CZ TYR A 31 -5.547 1.964 -9.088 1.00 21.12 C ATOM 448 OH TYR A 31 -6.321 3.008 -9.489 1.00 41.31 O ATOM 0 H TYR A 31 -4.338 -1.375 -5.076 1.00 22.34 H new ATOM 0 HA TYR A 31 -2.003 -2.430 -6.405 1.00 53.31 H new ATOM 0 HB2 TYR A 31 -2.272 -1.498 -8.489 1.00 1.12 H new ATOM 0 HB3 TYR A 31 -3.774 -2.351 -8.195 1.00 1.12 H new ATOM 0 HD1 TYR A 31 -5.100 -0.134 -6.436 1.00 11.20 H new ATOM 0 HD2 TYR A 31 -2.945 0.017 -10.153 1.00 30.20 H new ATOM 0 HE1 TYR A 31 -6.517 1.755 -7.167 1.00 4.20 H new ATOM 0 HE2 TYR A 31 -4.330 1.946 -10.879 1.00 11.44 H new ATOM 0 HH TYR A 31 -6.047 3.293 -10.386 1.00 41.31 H new ATOM 457 N VAL A 32 -1.222 0.131 -6.432 1.00 24.03 N ATOM 458 CA VAL A 32 -0.576 1.396 -6.270 1.00 74.15 C ATOM 459 C VAL A 32 -0.678 2.217 -7.523 1.00 62.12 C ATOM 460 O VAL A 32 -0.350 1.748 -8.608 1.00 64.24 O ATOM 461 CB VAL A 32 0.821 1.123 -5.732 1.00 61.13 C ATOM 462 CG1 VAL A 32 1.512 -0.080 -6.358 1.00 63.15 C ATOM 463 CG2 VAL A 32 1.805 2.264 -5.814 1.00 4.51 C ATOM 0 H VAL A 32 -0.759 -0.411 -7.161 1.00 24.03 H new ATOM 0 HA VAL A 32 -1.068 2.035 -5.536 1.00 74.15 H new ATOM 0 HB VAL A 32 0.581 0.937 -4.685 1.00 61.13 H new ATOM 0 HG11 VAL A 32 2.501 -0.202 -5.917 1.00 63.15 H new ATOM 0 HG12 VAL A 32 0.920 -0.976 -6.174 1.00 63.15 H new ATOM 0 HG13 VAL A 32 1.610 0.075 -7.432 1.00 63.15 H new ATOM 0 HG21 VAL A 32 2.763 1.949 -5.401 1.00 4.51 H new ATOM 0 HG22 VAL A 32 1.938 2.556 -6.856 1.00 4.51 H new ATOM 0 HG23 VAL A 32 1.426 3.113 -5.245 1.00 4.51 H new ATOM 473 N GLN A 33 -1.133 3.453 -7.371 1.00 13.14 N ATOM 474 CA GLN A 33 -0.990 4.446 -8.412 1.00 3.43 C ATOM 475 C GLN A 33 0.334 5.179 -8.224 1.00 32.34 C ATOM 476 O GLN A 33 0.633 6.029 -9.064 1.00 50.43 O ATOM 477 CB GLN A 33 -2.170 5.426 -8.391 1.00 61.35 C ATOM 478 CG GLN A 33 -3.488 4.735 -8.754 1.00 44.23 C ATOM 479 CD GLN A 33 -4.609 5.747 -8.968 1.00 42.43 C ATOM 480 OE1 GLN A 33 -4.593 6.509 -9.941 1.00 24.14 O ATOM 481 NE2 GLN A 33 -5.590 5.770 -8.081 1.00 4.53 N ATOM 0 H GLN A 33 -1.605 3.787 -6.531 1.00 13.14 H new ATOM 0 HA GLN A 33 -0.990 3.955 -9.385 1.00 3.43 H new ATOM 0 HB2 GLN A 33 -2.254 5.873 -7.400 1.00 61.35 H new ATOM 0 HB3 GLN A 33 -1.980 6.239 -9.092 1.00 61.35 H new ATOM 0 HG2 GLN A 33 -3.353 4.143 -9.659 1.00 44.23 H new ATOM 0 HG3 GLN A 33 -3.768 4.043 -7.960 1.00 44.23 H new ATOM 0 HE21 GLN A 33 -5.576 5.129 -7.288 1.00 4.53 H new ATOM 0 HE22 GLN A 33 -6.361 6.429 -8.190 1.00 4.53 H new ATOM 488 N VAL A 34 1.133 4.893 -7.180 1.00 74.22 N ATOM 489 CA VAL A 34 2.335 5.706 -6.946 1.00 73.05 C ATOM 490 C VAL A 34 3.282 4.959 -6.013 1.00 42.44 C ATOM 491 O VAL A 34 3.045 4.852 -4.813 1.00 52.45 O ATOM 492 CB VAL A 34 1.971 7.149 -6.507 1.00 54.22 C ATOM 493 CG1 VAL A 34 0.866 7.203 -5.449 1.00 45.51 C ATOM 494 CG2 VAL A 34 3.195 7.934 -6.018 1.00 62.24 C ATOM 0 H VAL A 34 0.977 4.138 -6.512 1.00 74.22 H new ATOM 0 HA VAL A 34 2.882 5.849 -7.878 1.00 73.05 H new ATOM 0 HB VAL A 34 1.586 7.624 -7.409 1.00 54.22 H new ATOM 0 HG11 VAL A 34 0.662 8.242 -5.188 1.00 45.51 H new ATOM 0 HG12 VAL A 34 -0.040 6.744 -5.845 1.00 45.51 H new ATOM 0 HG13 VAL A 34 1.188 6.662 -4.559 1.00 45.51 H new ATOM 0 HG21 VAL A 34 2.889 8.937 -5.722 1.00 62.24 H new ATOM 0 HG22 VAL A 34 3.638 7.423 -5.163 1.00 62.24 H new ATOM 0 HG23 VAL A 34 3.929 8.000 -6.821 1.00 62.24 H new ATOM 504 N TYR A 35 4.289 4.336 -6.621 1.00 1.43 N ATOM 505 CA TYR A 35 5.393 3.670 -5.962 1.00 32.30 C ATOM 506 C TYR A 35 6.538 4.672 -5.807 1.00 50.44 C ATOM 507 O TYR A 35 6.971 5.301 -6.788 1.00 70.12 O ATOM 508 CB TYR A 35 5.809 2.458 -6.812 1.00 23.04 C ATOM 509 CG TYR A 35 7.153 1.879 -6.432 1.00 51.22 C ATOM 510 CD1 TYR A 35 7.254 1.091 -5.279 1.00 63.43 C ATOM 511 CD2 TYR A 35 8.305 2.178 -7.185 1.00 51.43 C ATOM 512 CE1 TYR A 35 8.504 0.609 -4.861 1.00 21.22 C ATOM 513 CE2 TYR A 35 9.556 1.679 -6.784 1.00 63.22 C ATOM 514 CZ TYR A 35 9.660 0.888 -5.616 1.00 5.34 C ATOM 515 OH TYR A 35 10.846 0.341 -5.240 1.00 4.24 O ATOM 0 H TYR A 35 4.354 4.284 -7.638 1.00 1.43 H new ATOM 0 HA TYR A 35 5.112 3.313 -4.971 1.00 32.30 H new ATOM 0 HB2 TYR A 35 5.050 1.682 -6.717 1.00 23.04 H new ATOM 0 HB3 TYR A 35 5.834 2.753 -7.861 1.00 23.04 H new ATOM 0 HD1 TYR A 35 6.367 0.853 -4.710 1.00 63.43 H new ATOM 0 HD2 TYR A 35 8.227 2.791 -8.071 1.00 51.43 H new ATOM 0 HE1 TYR A 35 8.580 0.022 -3.957 1.00 21.22 H new ATOM 0 HE2 TYR A 35 10.438 1.899 -7.367 1.00 63.22 H new ATOM 0 HH TYR A 35 11.549 0.626 -5.860 1.00 4.24 H new ATOM 524 N GLU A 36 7.027 4.812 -4.580 1.00 64.13 N ATOM 525 CA GLU A 36 8.196 5.599 -4.236 1.00 1.42 C ATOM 526 C GLU A 36 9.446 4.740 -4.436 1.00 41.14 C ATOM 527 O GLU A 36 9.672 3.788 -3.698 1.00 24.12 O ATOM 528 CB GLU A 36 8.071 6.068 -2.778 1.00 71.05 C ATOM 529 CG GLU A 36 7.490 7.490 -2.664 1.00 71.21 C ATOM 530 CD GLU A 36 6.075 7.664 -3.227 1.00 31.03 C ATOM 531 OE1 GLU A 36 5.256 6.733 -3.149 1.00 31.24 O ATOM 532 OE2 GLU A 36 5.760 8.785 -3.699 1.00 74.13 O ATOM 0 H GLU A 36 6.601 4.362 -3.770 1.00 64.13 H new ATOM 0 HA GLU A 36 8.273 6.478 -4.875 1.00 1.42 H new ATOM 0 HB2 GLU A 36 7.434 5.374 -2.230 1.00 71.05 H new ATOM 0 HB3 GLU A 36 9.053 6.041 -2.306 1.00 71.05 H new ATOM 0 HG2 GLU A 36 7.484 7.779 -1.613 1.00 71.21 H new ATOM 0 HG3 GLU A 36 8.157 8.180 -3.181 1.00 71.21 H new ATOM 537 N SER A 37 10.269 5.074 -5.431 1.00 31.11 N ATOM 538 CA SER A 37 11.520 4.377 -5.731 1.00 73.11 C ATOM 539 C SER A 37 12.650 4.630 -4.724 1.00 21.23 C ATOM 540 O SER A 37 13.656 3.912 -4.739 1.00 61.31 O ATOM 541 CB SER A 37 11.965 4.805 -7.133 1.00 32.03 C ATOM 542 OG SER A 37 12.015 6.220 -7.217 1.00 24.43 O ATOM 0 H SER A 37 10.081 5.852 -6.063 1.00 31.11 H new ATOM 0 HA SER A 37 11.320 3.307 -5.668 1.00 73.11 H new ATOM 0 HB2 SER A 37 12.946 4.385 -7.356 1.00 32.03 H new ATOM 0 HB3 SER A 37 11.273 4.413 -7.878 1.00 32.03 H new ATOM 0 HG SER A 37 12.302 6.484 -8.116 1.00 24.43 H new ATOM 547 N SER A 38 12.524 5.653 -3.877 1.00 73.22 N ATOM 548 CA SER A 38 13.600 6.168 -3.037 1.00 33.34 C ATOM 549 C SER A 38 13.210 6.152 -1.557 1.00 44.11 C ATOM 550 O SER A 38 14.032 6.500 -0.704 1.00 4.23 O ATOM 551 CB SER A 38 13.946 7.593 -3.484 1.00 41.35 C ATOM 552 OG SER A 38 14.069 7.688 -4.892 1.00 73.43 O ATOM 0 H SER A 38 11.646 6.158 -3.755 1.00 73.22 H new ATOM 0 HA SER A 38 14.472 5.524 -3.150 1.00 33.34 H new ATOM 0 HB2 SER A 38 13.173 8.280 -3.140 1.00 41.35 H new ATOM 0 HB3 SER A 38 14.880 7.904 -3.016 1.00 41.35 H new ATOM 0 HG SER A 38 14.288 8.610 -5.140 1.00 73.43 H new ATOM 557 N LEU A 39 11.976 5.757 -1.243 1.00 12.30 N ATOM 558 CA LEU A 39 11.388 5.663 0.084 1.00 61.22 C ATOM 559 C LEU A 39 10.641 4.330 0.136 1.00 11.52 C ATOM 560 O LEU A 39 10.802 3.488 -0.745 1.00 21.01 O ATOM 561 CB LEU A 39 10.447 6.858 0.358 1.00 52.53 C ATOM 562 CG LEU A 39 11.083 8.255 0.253 1.00 45.35 C ATOM 563 CD1 LEU A 39 9.990 9.326 0.310 1.00 21.32 C ATOM 564 CD2 LEU A 39 12.097 8.502 1.373 1.00 63.02 C ATOM 0 H LEU A 39 11.316 5.474 -1.967 1.00 12.30 H new ATOM 0 HA LEU A 39 12.154 5.701 0.859 1.00 61.22 H new ATOM 0 HB2 LEU A 39 9.613 6.806 -0.342 1.00 52.53 H new ATOM 0 HB3 LEU A 39 10.030 6.745 1.359 1.00 52.53 H new ATOM 0 HG LEU A 39 11.611 8.309 -0.699 1.00 45.35 H new ATOM 0 HD11 LEU A 39 10.444 10.314 0.235 1.00 21.32 H new ATOM 0 HD12 LEU A 39 9.296 9.182 -0.518 1.00 21.32 H new ATOM 0 HD13 LEU A 39 9.450 9.245 1.254 1.00 21.32 H new ATOM 0 HD21 LEU A 39 12.524 9.499 1.264 1.00 63.02 H new ATOM 0 HD22 LEU A 39 11.598 8.425 2.339 1.00 63.02 H new ATOM 0 HD23 LEU A 39 12.892 7.759 1.315 1.00 63.02 H new ATOM 575 N GLU A 40 9.804 4.139 1.151 1.00 22.04 N ATOM 576 CA GLU A 40 8.939 2.989 1.279 1.00 65.34 C ATOM 577 C GLU A 40 7.554 3.583 1.546 1.00 24.32 C ATOM 578 O GLU A 40 7.204 3.848 2.695 1.00 45.32 O ATOM 579 CB GLU A 40 9.450 2.014 2.362 1.00 62.02 C ATOM 580 CG GLU A 40 10.939 1.629 2.248 1.00 34.23 C ATOM 581 CD GLU A 40 11.865 2.578 3.017 1.00 23.24 C ATOM 582 OE1 GLU A 40 12.002 2.438 4.251 1.00 34.11 O ATOM 583 OE2 GLU A 40 12.528 3.461 2.421 1.00 53.54 O ATOM 0 H GLU A 40 9.712 4.800 1.922 1.00 22.04 H new ATOM 0 HA GLU A 40 8.911 2.363 0.387 1.00 65.34 H new ATOM 0 HB2 GLU A 40 9.281 2.462 3.341 1.00 62.02 H new ATOM 0 HB3 GLU A 40 8.852 1.104 2.321 1.00 62.02 H new ATOM 0 HG2 GLU A 40 11.076 0.615 2.623 1.00 34.23 H new ATOM 0 HG3 GLU A 40 11.227 1.622 1.197 1.00 34.23 H new ATOM 588 N SER A 41 6.833 3.913 0.473 1.00 61.25 N ATOM 589 CA SER A 41 5.522 4.549 0.500 1.00 63.02 C ATOM 590 C SER A 41 4.627 3.892 -0.554 1.00 33.44 C ATOM 591 O SER A 41 5.081 3.630 -1.673 1.00 11.33 O ATOM 592 CB SER A 41 5.700 6.048 0.231 1.00 45.15 C ATOM 593 OG SER A 41 4.542 6.819 0.478 1.00 1.12 O ATOM 0 H SER A 41 7.163 3.736 -0.476 1.00 61.25 H new ATOM 0 HA SER A 41 5.047 4.425 1.473 1.00 63.02 H new ATOM 0 HB2 SER A 41 6.513 6.424 0.852 1.00 45.15 H new ATOM 0 HB3 SER A 41 6.001 6.187 -0.807 1.00 45.15 H new ATOM 0 HG SER A 41 4.002 6.385 1.171 1.00 1.12 H new ATOM 598 N LEU A 42 3.365 3.627 -0.200 1.00 10.21 N ATOM 599 CA LEU A 42 2.362 3.049 -1.091 1.00 44.25 C ATOM 600 C LEU A 42 1.083 3.882 -0.973 1.00 33.41 C ATOM 601 O LEU A 42 0.462 3.896 0.095 1.00 65.13 O ATOM 602 CB LEU A 42 2.104 1.567 -0.770 1.00 71.43 C ATOM 603 CG LEU A 42 1.365 0.866 -1.930 1.00 14.20 C ATOM 604 CD1 LEU A 42 1.582 -0.641 -1.912 1.00 14.33 C ATOM 605 CD2 LEU A 42 -0.156 1.099 -1.953 1.00 51.12 C ATOM 0 H LEU A 42 3.008 3.814 0.737 1.00 10.21 H new ATOM 0 HA LEU A 42 2.725 3.076 -2.118 1.00 44.25 H new ATOM 0 HB2 LEU A 42 3.052 1.063 -0.581 1.00 71.43 H new ATOM 0 HB3 LEU A 42 1.513 1.487 0.142 1.00 71.43 H new ATOM 0 HG LEU A 42 1.801 1.322 -2.819 1.00 14.20 H new ATOM 0 HD11 LEU A 42 1.045 -1.096 -2.744 1.00 14.33 H new ATOM 0 HD12 LEU A 42 2.646 -0.856 -2.006 1.00 14.33 H new ATOM 0 HD13 LEU A 42 1.210 -1.051 -0.973 1.00 14.33 H new ATOM 0 HD21 LEU A 42 -0.592 0.570 -2.800 1.00 51.12 H new ATOM 0 HD22 LEU A 42 -0.595 0.727 -1.028 1.00 51.12 H new ATOM 0 HD23 LEU A 42 -0.359 2.166 -2.048 1.00 51.12 H new ATOM 616 N VAL A 43 0.651 4.534 -2.054 1.00 11.40 N ATOM 617 CA VAL A 43 -0.667 5.175 -2.163 1.00 61.42 C ATOM 618 C VAL A 43 -1.325 4.669 -3.462 1.00 34.04 C ATOM 619 O VAL A 43 -0.636 4.196 -4.378 1.00 12.23 O ATOM 620 CB VAL A 43 -0.491 6.714 -2.078 1.00 33.12 C ATOM 621 CG1 VAL A 43 -1.747 7.522 -2.420 1.00 73.34 C ATOM 622 CG2 VAL A 43 -0.048 7.195 -0.692 1.00 24.02 C ATOM 0 H VAL A 43 1.217 4.635 -2.897 1.00 11.40 H new ATOM 0 HA VAL A 43 -1.337 4.914 -1.344 1.00 61.42 H new ATOM 0 HB VAL A 43 0.280 6.894 -2.827 1.00 33.12 H new ATOM 0 HG11 VAL A 43 -1.529 8.587 -2.334 1.00 73.34 H new ATOM 0 HG12 VAL A 43 -2.058 7.297 -3.440 1.00 73.34 H new ATOM 0 HG13 VAL A 43 -2.548 7.258 -1.730 1.00 73.34 H new ATOM 0 HG21 VAL A 43 0.057 8.280 -0.700 1.00 24.02 H new ATOM 0 HG22 VAL A 43 -0.794 6.908 0.049 1.00 24.02 H new ATOM 0 HG23 VAL A 43 0.909 6.740 -0.438 1.00 24.02 H new ATOM 632 N GLY A 44 -2.656 4.747 -3.582 1.00 71.12 N ATOM 633 CA GLY A 44 -3.327 4.421 -4.839 1.00 73.11 C ATOM 634 C GLY A 44 -4.767 3.950 -4.737 1.00 71.23 C ATOM 635 O GLY A 44 -5.377 3.762 -5.791 1.00 3.43 O ATOM 0 H GLY A 44 -3.282 5.031 -2.829 1.00 71.12 H new ATOM 0 HA2 GLY A 44 -3.301 5.304 -5.478 1.00 73.11 H new ATOM 0 HA3 GLY A 44 -2.750 3.646 -5.343 1.00 73.11 H new ATOM 639 N GLY A 45 -5.313 3.753 -3.534 1.00 64.25 N ATOM 640 CA GLY A 45 -6.666 3.255 -3.372 1.00 24.12 C ATOM 641 C GLY A 45 -6.771 1.729 -3.431 1.00 1.11 C ATOM 642 O GLY A 45 -5.855 1.027 -3.871 1.00 23.10 O ATOM 0 H GLY A 45 -4.827 3.935 -2.656 1.00 64.25 H new ATOM 0 HA2 GLY A 45 -7.059 3.601 -2.416 1.00 24.12 H new ATOM 0 HA3 GLY A 45 -7.297 3.684 -4.150 1.00 24.12 H new ATOM 646 N VAL A 46 -7.879 1.199 -2.917 1.00 41.22 N ATOM 647 CA VAL A 46 -8.143 -0.224 -2.724 1.00 45.12 C ATOM 648 C VAL A 46 -9.642 -0.464 -2.902 1.00 11.32 C ATOM 649 O VAL A 46 -10.440 0.042 -2.112 1.00 4.44 O ATOM 650 CB VAL A 46 -7.635 -0.711 -1.341 1.00 25.23 C ATOM 651 CG1 VAL A 46 -6.226 -1.278 -1.457 1.00 24.31 C ATOM 652 CG2 VAL A 46 -7.685 0.334 -0.216 1.00 65.34 C ATOM 0 H VAL A 46 -8.657 1.782 -2.608 1.00 41.22 H new ATOM 0 HA VAL A 46 -7.597 -0.806 -3.466 1.00 45.12 H new ATOM 0 HB VAL A 46 -8.341 -1.488 -1.047 1.00 25.23 H new ATOM 0 HG11 VAL A 46 -5.887 -1.614 -0.477 1.00 24.31 H new ATOM 0 HG12 VAL A 46 -6.229 -2.120 -2.149 1.00 24.31 H new ATOM 0 HG13 VAL A 46 -5.552 -0.506 -1.828 1.00 24.31 H new ATOM 0 HG21 VAL A 46 -7.309 -0.107 0.707 1.00 65.34 H new ATOM 0 HG22 VAL A 46 -7.068 1.190 -0.487 1.00 65.34 H new ATOM 0 HG23 VAL A 46 -8.714 0.661 -0.069 1.00 65.34 H new ATOM 662 N ILE A 47 -10.017 -1.179 -3.965 1.00 50.32 N ATOM 663 CA ILE A 47 -11.385 -1.485 -4.369 1.00 31.40 C ATOM 664 C ILE A 47 -11.749 -2.866 -3.802 1.00 65.15 C ATOM 665 O ILE A 47 -10.902 -3.767 -3.827 1.00 71.34 O ATOM 666 CB ILE A 47 -11.479 -1.466 -5.918 1.00 41.51 C ATOM 667 CG1 ILE A 47 -10.985 -0.151 -6.582 1.00 31.11 C ATOM 668 CG2 ILE A 47 -12.940 -1.693 -6.339 1.00 23.44 C ATOM 669 CD1 ILE A 47 -9.471 -0.038 -6.822 1.00 10.50 C ATOM 0 H ILE A 47 -9.331 -1.582 -4.603 1.00 50.32 H new ATOM 0 HA ILE A 47 -12.086 -0.744 -3.984 1.00 31.40 H new ATOM 0 HB ILE A 47 -10.817 -2.261 -6.262 1.00 41.51 H new ATOM 0 HG12 ILE A 47 -11.493 -0.039 -7.540 1.00 31.11 H new ATOM 0 HG13 ILE A 47 -11.296 0.686 -5.957 1.00 31.11 H new ATOM 0 HG21 ILE A 47 -13.011 -1.681 -7.427 1.00 23.44 H new ATOM 0 HG22 ILE A 47 -13.281 -2.658 -5.964 1.00 23.44 H new ATOM 0 HG23 ILE A 47 -13.565 -0.902 -5.925 1.00 23.44 H new ATOM 0 HD11 ILE A 47 -9.247 0.921 -7.289 1.00 10.50 H new ATOM 0 HD12 ILE A 47 -8.945 -0.109 -5.870 1.00 10.50 H new ATOM 0 HD13 ILE A 47 -9.145 -0.846 -7.477 1.00 10.50 H new ATOM 680 N PHE A 48 -12.976 -3.059 -3.312 1.00 43.51 N ATOM 681 CA PHE A 48 -13.446 -4.286 -2.665 1.00 34.32 C ATOM 682 C PHE A 48 -14.595 -4.951 -3.416 1.00 11.50 C ATOM 683 O PHE A 48 -15.290 -4.323 -4.216 1.00 22.10 O ATOM 684 CB PHE A 48 -13.916 -3.975 -1.243 1.00 22.03 C ATOM 685 CG PHE A 48 -12.899 -4.218 -0.154 1.00 13.33 C ATOM 686 CD1 PHE A 48 -11.546 -3.865 -0.314 1.00 73.45 C ATOM 687 CD2 PHE A 48 -13.324 -4.813 1.046 1.00 74.01 C ATOM 688 CE1 PHE A 48 -10.625 -4.134 0.706 1.00 54.12 C ATOM 689 CE2 PHE A 48 -12.407 -5.023 2.082 1.00 2.34 C ATOM 690 CZ PHE A 48 -11.060 -4.685 1.919 1.00 30.20 C ATOM 0 H PHE A 48 -13.696 -2.338 -3.357 1.00 43.51 H new ATOM 0 HA PHE A 48 -12.602 -4.976 -2.660 1.00 34.32 H new ATOM 0 HB2 PHE A 48 -14.224 -2.930 -1.201 1.00 22.03 H new ATOM 0 HB3 PHE A 48 -14.800 -4.577 -1.031 1.00 22.03 H new ATOM 0 HD1 PHE A 48 -11.218 -3.386 -1.225 1.00 73.45 H new ATOM 0 HD2 PHE A 48 -14.356 -5.108 1.168 1.00 74.01 H new ATOM 0 HE1 PHE A 48 -9.578 -3.916 0.558 1.00 54.12 H new ATOM 0 HE2 PHE A 48 -12.743 -5.450 3.016 1.00 2.34 H new ATOM 0 HZ PHE A 48 -10.358 -4.848 2.724 1.00 30.20 H new ATOM 699 N GLU A 49 -14.830 -6.222 -3.084 1.00 72.03 N ATOM 700 CA GLU A 49 -15.859 -7.058 -3.687 1.00 23.40 C ATOM 701 C GLU A 49 -17.281 -6.549 -3.400 1.00 25.32 C ATOM 702 O GLU A 49 -18.138 -6.626 -4.286 1.00 5.22 O ATOM 703 CB GLU A 49 -15.647 -8.499 -3.247 1.00 21.23 C ATOM 704 CG GLU A 49 -14.451 -9.124 -3.985 1.00 33.12 C ATOM 705 CD GLU A 49 -14.235 -10.580 -3.578 1.00 61.25 C ATOM 706 OE1 GLU A 49 -13.599 -10.824 -2.530 1.00 21.13 O ATOM 707 OE2 GLU A 49 -14.681 -11.488 -4.316 1.00 21.42 O ATOM 0 H GLU A 49 -14.292 -6.708 -2.367 1.00 72.03 H new ATOM 0 HA GLU A 49 -15.763 -7.007 -4.772 1.00 23.40 H new ATOM 0 HB2 GLU A 49 -15.475 -8.534 -2.171 1.00 21.23 H new ATOM 0 HB3 GLU A 49 -16.547 -9.081 -3.445 1.00 21.23 H new ATOM 0 HG2 GLU A 49 -14.617 -9.068 -5.061 1.00 33.12 H new ATOM 0 HG3 GLU A 49 -13.550 -8.549 -3.771 1.00 33.12 H new ATOM 712 N ASP A 50 -17.526 -5.946 -2.230 1.00 1.21 N ATOM 713 CA ASP A 50 -18.773 -5.243 -1.887 1.00 33.24 C ATOM 714 C ASP A 50 -18.524 -3.723 -1.985 1.00 43.32 C ATOM 715 O ASP A 50 -18.928 -2.941 -1.119 1.00 41.54 O ATOM 716 CB ASP A 50 -19.339 -5.656 -0.510 1.00 23.01 C ATOM 717 CG ASP A 50 -19.812 -7.103 -0.364 1.00 42.44 C ATOM 718 OD1 ASP A 50 -20.923 -7.431 -0.840 1.00 45.53 O ATOM 719 OD2 ASP A 50 -19.121 -7.881 0.333 1.00 33.03 O ATOM 0 H ASP A 50 -16.843 -5.932 -1.472 1.00 1.21 H new ATOM 0 HA ASP A 50 -19.544 -5.531 -2.601 1.00 33.24 H new ATOM 0 HB2 ASP A 50 -18.571 -5.472 0.242 1.00 23.01 H new ATOM 0 HB3 ASP A 50 -20.177 -5.000 -0.277 1.00 23.01 H new ATOM 723 N GLY A 51 -17.768 -3.300 -3.004 1.00 30.11 N ATOM 724 CA GLY A 51 -17.733 -1.948 -3.554 1.00 54.52 C ATOM 725 C GLY A 51 -16.948 -0.897 -2.781 1.00 12.10 C ATOM 726 O GLY A 51 -16.749 0.195 -3.319 1.00 30.11 O ATOM 0 H GLY A 51 -17.130 -3.930 -3.491 1.00 30.11 H new ATOM 0 HA2 GLY A 51 -17.319 -2.005 -4.561 1.00 54.52 H new ATOM 0 HA3 GLY A 51 -18.760 -1.597 -3.651 1.00 54.52 H new ATOM 730 N ARG A 52 -16.488 -1.170 -1.559 1.00 11.41 N ATOM 731 CA ARG A 52 -15.744 -0.191 -0.765 1.00 73.21 C ATOM 732 C ARG A 52 -14.489 0.230 -1.512 1.00 33.13 C ATOM 733 O ARG A 52 -13.657 -0.608 -1.861 1.00 63.03 O ATOM 734 CB ARG A 52 -15.399 -0.757 0.611 1.00 54.52 C ATOM 735 CG ARG A 52 -16.653 -0.959 1.471 1.00 5.12 C ATOM 736 CD ARG A 52 -16.328 -1.787 2.720 1.00 33.12 C ATOM 737 NE ARG A 52 -16.290 -0.942 3.920 1.00 54.35 N ATOM 738 CZ ARG A 52 -16.562 -1.320 5.166 1.00 52.31 C ATOM 739 NH1 ARG A 52 -16.799 -2.599 5.431 1.00 30.34 N ATOM 740 NH2 ARG A 52 -16.601 -0.416 6.139 1.00 70.11 N ATOM 0 H ARG A 52 -16.619 -2.069 -1.095 1.00 11.41 H new ATOM 0 HA ARG A 52 -16.370 0.688 -0.612 1.00 73.21 H new ATOM 0 HB2 ARG A 52 -14.881 -1.709 0.494 1.00 54.52 H new ATOM 0 HB3 ARG A 52 -14.713 -0.081 1.121 1.00 54.52 H new ATOM 0 HG2 ARG A 52 -17.057 0.009 1.766 1.00 5.12 H new ATOM 0 HG3 ARG A 52 -17.424 -1.461 0.886 1.00 5.12 H new ATOM 0 HD2 ARG A 52 -17.076 -2.569 2.846 1.00 33.12 H new ATOM 0 HD3 ARG A 52 -15.366 -2.284 2.591 1.00 33.12 H new ATOM 0 HE ARG A 52 -16.028 0.035 3.784 1.00 54.35 H new ATOM 0 HH11 ARG A 52 -16.772 -3.289 4.680 1.00 30.34 H new ATOM 0 HH12 ARG A 52 -17.008 -2.892 6.385 1.00 30.34 H new ATOM 0 HH21 ARG A 52 -16.423 0.566 5.930 1.00 70.11 H new ATOM 0 HH22 ARG A 52 -16.809 -0.704 7.095 1.00 70.11 H new ATOM 751 N HIS A 53 -14.361 1.526 -1.766 1.00 34.03 N ATOM 752 CA HIS A 53 -13.122 2.125 -2.227 1.00 14.23 C ATOM 753 C HIS A 53 -12.571 2.990 -1.105 1.00 5.43 C ATOM 754 O HIS A 53 -13.235 3.931 -0.663 1.00 25.11 O ATOM 755 CB HIS A 53 -13.344 2.919 -3.514 1.00 33.03 C ATOM 756 CG HIS A 53 -12.116 3.142 -4.361 1.00 63.33 C ATOM 757 ND1 HIS A 53 -12.122 3.758 -5.588 1.00 3.51 N ATOM 758 CD2 HIS A 53 -10.825 2.753 -4.102 1.00 43.21 C ATOM 759 CE1 HIS A 53 -10.872 3.731 -6.062 1.00 72.34 C ATOM 760 NE2 HIS A 53 -10.036 3.117 -5.202 1.00 74.14 N ATOM 0 H HIS A 53 -15.123 2.194 -1.656 1.00 34.03 H new ATOM 0 HA HIS A 53 -12.394 1.352 -2.472 1.00 14.23 H new ATOM 0 HB2 HIS A 53 -14.090 2.400 -4.116 1.00 33.03 H new ATOM 0 HB3 HIS A 53 -13.765 3.890 -3.253 1.00 33.03 H new ATOM 0 HD2 HIS A 53 -10.479 2.255 -3.209 1.00 43.21 H new ATOM 0 HE1 HIS A 53 -10.571 4.148 -7.012 1.00 72.34 H new ATOM 0 HE2 HIS A 53 -9.037 2.952 -5.326 1.00 74.14 H new ATOM 767 N TYR A 54 -11.362 2.676 -0.647 1.00 22.14 N ATOM 768 CA TYR A 54 -10.650 3.452 0.359 1.00 61.25 C ATOM 769 C TYR A 54 -9.296 3.865 -0.192 1.00 33.32 C ATOM 770 O TYR A 54 -8.750 3.162 -1.037 1.00 65.03 O ATOM 771 CB TYR A 54 -10.512 2.615 1.638 1.00 23.13 C ATOM 772 CG TYR A 54 -11.837 2.369 2.327 1.00 42.22 C ATOM 773 CD1 TYR A 54 -12.630 3.465 2.660 1.00 72.22 C ATOM 774 CD2 TYR A 54 -12.308 1.083 2.611 1.00 31.40 C ATOM 775 CE1 TYR A 54 -13.923 3.305 3.171 1.00 33.21 C ATOM 776 CE2 TYR A 54 -13.578 0.899 3.180 1.00 25.24 C ATOM 777 CZ TYR A 54 -14.421 2.009 3.398 1.00 53.31 C ATOM 778 OH TYR A 54 -15.712 1.825 3.786 1.00 4.51 O ATOM 0 H TYR A 54 -10.842 1.861 -0.972 1.00 22.14 H new ATOM 0 HA TYR A 54 -11.203 4.358 0.606 1.00 61.25 H new ATOM 0 HB2 TYR A 54 -10.053 1.657 1.392 1.00 23.13 H new ATOM 0 HB3 TYR A 54 -9.838 3.123 2.328 1.00 23.13 H new ATOM 0 HD1 TYR A 54 -12.238 4.462 2.521 1.00 72.22 H new ATOM 0 HD2 TYR A 54 -11.690 0.225 2.391 1.00 31.40 H new ATOM 0 HE1 TYR A 54 -14.533 4.169 3.389 1.00 33.21 H new ATOM 0 HE2 TYR A 54 -13.910 -0.092 3.451 1.00 25.24 H new ATOM 0 HH TYR A 54 -16.281 1.726 2.994 1.00 4.51 H new ATOM 787 N THR A 55 -8.737 4.969 0.297 1.00 74.22 N ATOM 788 CA THR A 55 -7.444 5.511 -0.097 1.00 43.21 C ATOM 789 C THR A 55 -6.410 5.144 0.963 1.00 1.31 C ATOM 790 O THR A 55 -6.416 5.711 2.058 1.00 50.42 O ATOM 791 CB THR A 55 -7.570 7.036 -0.231 1.00 70.25 C ATOM 792 OG1 THR A 55 -8.308 7.581 0.850 1.00 63.05 O ATOM 793 CG2 THR A 55 -8.296 7.434 -1.509 1.00 14.12 C ATOM 0 H THR A 55 -9.196 5.534 1.011 1.00 74.22 H new ATOM 0 HA THR A 55 -7.126 5.097 -1.054 1.00 43.21 H new ATOM 0 HB THR A 55 -6.551 7.422 -0.243 1.00 70.25 H new ATOM 0 HG1 THR A 55 -7.992 7.191 1.692 1.00 63.05 H new ATOM 0 HG21 THR A 55 -8.364 8.520 -1.566 1.00 14.12 H new ATOM 0 HG22 THR A 55 -7.745 7.060 -2.372 1.00 14.12 H new ATOM 0 HG23 THR A 55 -9.299 7.007 -1.506 1.00 14.12 H new ATOM 801 N PHE A 56 -5.538 4.172 0.682 1.00 72.44 N ATOM 802 CA PHE A 56 -4.421 3.965 1.588 1.00 22.42 C ATOM 803 C PHE A 56 -3.437 5.127 1.508 1.00 1.44 C ATOM 804 O PHE A 56 -3.355 5.860 0.514 1.00 2.54 O ATOM 805 CB PHE A 56 -3.700 2.627 1.352 1.00 2.23 C ATOM 806 CG PHE A 56 -4.326 1.428 2.026 1.00 52.25 C ATOM 807 CD1 PHE A 56 -4.733 1.498 3.373 1.00 50.54 C ATOM 808 CD2 PHE A 56 -4.412 0.210 1.328 1.00 12.10 C ATOM 809 CE1 PHE A 56 -5.246 0.368 4.016 1.00 70.41 C ATOM 810 CE2 PHE A 56 -4.892 -0.933 1.986 1.00 50.54 C ATOM 811 CZ PHE A 56 -5.315 -0.843 3.320 1.00 61.44 C ATOM 0 H PHE A 56 -5.582 3.548 -0.124 1.00 72.44 H new ATOM 0 HA PHE A 56 -4.840 3.923 2.593 1.00 22.42 H new ATOM 0 HB2 PHE A 56 -3.659 2.440 0.279 1.00 2.23 H new ATOM 0 HB3 PHE A 56 -2.671 2.722 1.699 1.00 2.23 H new ATOM 0 HD1 PHE A 56 -4.648 2.430 3.912 1.00 50.54 H new ATOM 0 HD2 PHE A 56 -4.111 0.155 0.292 1.00 12.10 H new ATOM 0 HE1 PHE A 56 -5.585 0.429 5.039 1.00 70.41 H new ATOM 0 HE2 PHE A 56 -4.935 -1.879 1.467 1.00 50.54 H new ATOM 0 HZ PHE A 56 -5.700 -1.721 3.817 1.00 61.44 H new ATOM 820 N VAL A 57 -2.637 5.231 2.559 1.00 30.40 N ATOM 821 CA VAL A 57 -1.380 5.939 2.587 1.00 61.01 C ATOM 822 C VAL A 57 -0.481 5.178 3.547 1.00 3.11 C ATOM 823 O VAL A 57 -0.698 5.150 4.759 1.00 22.33 O ATOM 824 CB VAL A 57 -1.598 7.424 2.911 1.00 12.42 C ATOM 825 CG1 VAL A 57 -2.333 7.671 4.236 1.00 64.42 C ATOM 826 CG2 VAL A 57 -0.256 8.161 2.894 1.00 51.15 C ATOM 0 H VAL A 57 -2.864 4.801 3.455 1.00 30.40 H new ATOM 0 HA VAL A 57 -0.884 5.968 1.617 1.00 61.01 H new ATOM 0 HB VAL A 57 -2.253 7.818 2.134 1.00 12.42 H new ATOM 0 HG11 VAL A 57 -2.448 8.743 4.394 1.00 64.42 H new ATOM 0 HG12 VAL A 57 -3.316 7.202 4.200 1.00 64.42 H new ATOM 0 HG13 VAL A 57 -1.757 7.244 5.057 1.00 64.42 H new ATOM 0 HG21 VAL A 57 -0.416 9.214 3.124 1.00 51.15 H new ATOM 0 HG22 VAL A 57 0.409 7.724 3.639 1.00 51.15 H new ATOM 0 HG23 VAL A 57 0.196 8.071 1.906 1.00 51.15 H new ATOM 836 N TYR A 58 0.406 4.368 2.986 1.00 64.31 N ATOM 837 CA TYR A 58 1.419 3.674 3.757 1.00 62.11 C ATOM 838 C TYR A 58 2.596 4.632 3.834 1.00 11.11 C ATOM 839 O TYR A 58 3.234 4.874 2.813 1.00 53.51 O ATOM 840 CB TYR A 58 1.775 2.316 3.145 1.00 53.52 C ATOM 841 CG TYR A 58 2.744 1.542 4.012 1.00 21.01 C ATOM 842 CD1 TYR A 58 2.249 0.809 5.101 1.00 12.11 C ATOM 843 CD2 TYR A 58 4.132 1.613 3.797 1.00 72.04 C ATOM 844 CE1 TYR A 58 3.117 0.132 5.974 1.00 31.31 C ATOM 845 CE2 TYR A 58 5.007 0.903 4.637 1.00 72.33 C ATOM 846 CZ TYR A 58 4.508 0.141 5.717 1.00 10.21 C ATOM 847 OH TYR A 58 5.382 -0.566 6.486 1.00 23.02 O ATOM 0 H TYR A 58 0.441 4.176 1.985 1.00 64.31 H new ATOM 0 HA TYR A 58 1.069 3.421 4.758 1.00 62.11 H new ATOM 0 HB2 TYR A 58 0.866 1.731 3.006 1.00 53.52 H new ATOM 0 HB3 TYR A 58 2.212 2.466 2.158 1.00 53.52 H new ATOM 0 HD1 TYR A 58 1.183 0.764 5.271 1.00 12.11 H new ATOM 0 HD2 TYR A 58 4.525 2.212 2.988 1.00 72.04 H new ATOM 0 HE1 TYR A 58 2.726 -0.391 6.834 1.00 31.31 H new ATOM 0 HE2 TYR A 58 6.071 0.940 4.455 1.00 72.33 H new ATOM 0 HH TYR A 58 6.293 -0.434 6.151 1.00 23.02 H new ATOM 856 N GLU A 59 2.819 5.236 4.997 1.00 54.24 N ATOM 857 CA GLU A 59 3.684 6.396 5.174 1.00 10.50 C ATOM 858 C GLU A 59 4.800 6.012 6.144 1.00 53.13 C ATOM 859 O GLU A 59 4.613 6.045 7.363 1.00 25.21 O ATOM 860 CB GLU A 59 2.849 7.628 5.593 1.00 11.12 C ATOM 861 CG GLU A 59 2.086 7.498 6.929 1.00 3.13 C ATOM 862 CD GLU A 59 0.791 8.329 7.024 1.00 73.45 C ATOM 863 OE1 GLU A 59 0.715 9.435 6.437 1.00 44.14 O ATOM 864 OE2 GLU A 59 -0.152 7.899 7.732 1.00 23.42 O ATOM 0 H GLU A 59 2.390 4.922 5.867 1.00 54.24 H new ATOM 0 HA GLU A 59 4.163 6.694 4.241 1.00 10.50 H new ATOM 0 HB2 GLU A 59 3.514 8.489 5.658 1.00 11.12 H new ATOM 0 HB3 GLU A 59 2.128 7.841 4.804 1.00 11.12 H new ATOM 0 HG2 GLU A 59 1.839 6.448 7.088 1.00 3.13 H new ATOM 0 HG3 GLU A 59 2.751 7.795 7.740 1.00 3.13 H new ATOM 869 N ASN A 60 5.944 5.578 5.597 1.00 51.21 N ATOM 870 CA ASN A 60 7.119 5.010 6.273 1.00 44.51 C ATOM 871 C ASN A 60 6.823 3.644 6.872 1.00 14.22 C ATOM 872 O ASN A 60 7.569 2.695 6.635 1.00 3.50 O ATOM 873 CB ASN A 60 7.646 5.929 7.391 1.00 43.15 C ATOM 874 CG ASN A 60 8.909 5.457 8.094 1.00 25.53 C ATOM 875 OD1 ASN A 60 9.161 5.902 9.208 1.00 61.55 O ATOM 876 ND2 ASN A 60 9.743 4.609 7.526 1.00 30.40 N ATOM 0 H ASN A 60 6.083 5.618 4.587 1.00 51.21 H new ATOM 0 HA ASN A 60 7.882 4.911 5.501 1.00 44.51 H new ATOM 0 HB2 ASN A 60 7.836 6.915 6.966 1.00 43.15 H new ATOM 0 HB3 ASN A 60 6.861 6.049 8.137 1.00 43.15 H new ATOM 0 HD21 ASN A 60 10.593 4.326 8.013 1.00 30.40 H new ATOM 0 HD22 ASN A 60 9.538 4.236 6.599 1.00 30.40 H new ATOM 882 N GLU A 61 5.787 3.580 7.706 1.00 71.43 N ATOM 883 CA GLU A 61 5.415 2.425 8.498 1.00 23.21 C ATOM 884 C GLU A 61 3.983 2.527 9.041 1.00 30.14 C ATOM 885 O GLU A 61 3.461 1.545 9.575 1.00 3.22 O ATOM 886 CB GLU A 61 6.447 2.189 9.608 1.00 50.33 C ATOM 887 CG GLU A 61 6.594 3.325 10.618 1.00 24.22 C ATOM 888 CD GLU A 61 7.720 3.024 11.619 1.00 72.15 C ATOM 889 OE1 GLU A 61 7.726 1.909 12.193 1.00 51.34 O ATOM 890 OE2 GLU A 61 8.624 3.878 11.776 1.00 30.30 O ATOM 0 H GLU A 61 5.160 4.372 7.850 1.00 71.43 H new ATOM 0 HA GLU A 61 5.419 1.552 7.845 1.00 23.21 H new ATOM 0 HB2 GLU A 61 6.176 1.280 10.146 1.00 50.33 H new ATOM 0 HB3 GLU A 61 7.418 2.008 9.146 1.00 50.33 H new ATOM 0 HG2 GLU A 61 6.806 4.257 10.095 1.00 24.22 H new ATOM 0 HG3 GLU A 61 5.655 3.466 11.152 1.00 24.22 H new ATOM 895 N ASP A 62 3.320 3.682 8.928 1.00 61.24 N ATOM 896 CA ASP A 62 1.904 3.814 9.275 1.00 43.44 C ATOM 897 C ASP A 62 1.052 3.250 8.134 1.00 43.24 C ATOM 898 O ASP A 62 1.483 3.272 6.981 1.00 23.30 O ATOM 899 CB ASP A 62 1.560 5.286 9.545 1.00 25.31 C ATOM 900 CG ASP A 62 1.222 5.508 11.008 1.00 4.02 C ATOM 901 OD1 ASP A 62 2.151 5.803 11.798 1.00 50.01 O ATOM 902 OD2 ASP A 62 0.028 5.381 11.359 1.00 3.13 O ATOM 0 H ASP A 62 3.748 4.546 8.595 1.00 61.24 H new ATOM 0 HA ASP A 62 1.693 3.250 10.184 1.00 43.44 H new ATOM 0 HB2 ASP A 62 2.403 5.917 9.263 1.00 25.31 H new ATOM 0 HB3 ASP A 62 0.716 5.585 8.924 1.00 25.31 H new ATOM 906 N LEU A 63 -0.143 2.733 8.438 1.00 43.34 N ATOM 907 CA LEU A 63 -1.069 2.091 7.500 1.00 64.13 C ATOM 908 C LEU A 63 -2.503 2.442 7.910 1.00 61.14 C ATOM 909 O LEU A 63 -3.009 1.895 8.894 1.00 33.31 O ATOM 910 CB LEU A 63 -0.762 0.580 7.515 1.00 63.42 C ATOM 911 CG LEU A 63 -1.630 -0.425 6.720 1.00 22.00 C ATOM 912 CD1 LEU A 63 -2.808 -0.947 7.550 1.00 11.24 C ATOM 913 CD2 LEU A 63 -2.126 0.021 5.333 1.00 62.01 C ATOM 0 H LEU A 63 -0.508 2.752 9.390 1.00 43.34 H new ATOM 0 HA LEU A 63 -0.951 2.441 6.474 1.00 64.13 H new ATOM 0 HB2 LEU A 63 0.263 0.461 7.165 1.00 63.42 H new ATOM 0 HB3 LEU A 63 -0.782 0.262 8.557 1.00 63.42 H new ATOM 0 HG LEU A 63 -0.920 -1.226 6.514 1.00 22.00 H new ATOM 0 HD11 LEU A 63 -3.390 -1.649 6.954 1.00 11.24 H new ATOM 0 HD12 LEU A 63 -2.431 -1.452 8.439 1.00 11.24 H new ATOM 0 HD13 LEU A 63 -3.441 -0.112 7.848 1.00 11.24 H new ATOM 0 HD21 LEU A 63 -2.721 -0.775 4.886 1.00 62.01 H new ATOM 0 HD22 LEU A 63 -2.738 0.917 5.436 1.00 62.01 H new ATOM 0 HD23 LEU A 63 -1.271 0.238 4.693 1.00 62.01 H new ATOM 924 N VAL A 64 -3.129 3.400 7.214 1.00 21.10 N ATOM 925 CA VAL A 64 -4.416 4.008 7.569 1.00 41.34 C ATOM 926 C VAL A 64 -5.138 4.453 6.271 1.00 33.04 C ATOM 927 O VAL A 64 -4.503 4.519 5.214 1.00 70.14 O ATOM 928 CB VAL A 64 -4.181 5.220 8.513 1.00 62.44 C ATOM 929 CG1 VAL A 64 -5.424 5.468 9.377 1.00 13.44 C ATOM 930 CG2 VAL A 64 -2.977 5.121 9.469 1.00 4.53 C ATOM 0 H VAL A 64 -2.737 3.787 6.355 1.00 21.10 H new ATOM 0 HA VAL A 64 -5.041 3.284 8.092 1.00 41.34 H new ATOM 0 HB VAL A 64 -3.966 6.036 7.824 1.00 62.44 H new ATOM 0 HG11 VAL A 64 -5.247 6.320 10.034 1.00 13.44 H new ATOM 0 HG12 VAL A 64 -6.278 5.678 8.734 1.00 13.44 H new ATOM 0 HG13 VAL A 64 -5.632 4.583 9.978 1.00 13.44 H new ATOM 0 HG21 VAL A 64 -2.918 6.025 10.075 1.00 4.53 H new ATOM 0 HG22 VAL A 64 -3.100 4.255 10.120 1.00 4.53 H new ATOM 0 HG23 VAL A 64 -2.060 5.012 8.889 1.00 4.53 H new ATOM 940 N TYR A 65 -6.449 4.741 6.329 1.00 34.02 N ATOM 941 CA TYR A 65 -7.268 5.237 5.218 1.00 65.04 C ATOM 942 C TYR A 65 -8.512 5.983 5.734 1.00 23.22 C ATOM 943 O TYR A 65 -8.853 5.855 6.915 1.00 14.30 O ATOM 944 CB TYR A 65 -7.724 4.054 4.347 1.00 21.01 C ATOM 945 CG TYR A 65 -8.703 3.108 5.021 1.00 52.42 C ATOM 946 CD1 TYR A 65 -10.086 3.368 4.966 1.00 14.14 C ATOM 947 CD2 TYR A 65 -8.234 1.975 5.706 1.00 71.41 C ATOM 948 CE1 TYR A 65 -11.001 2.485 5.564 1.00 1.42 C ATOM 949 CE2 TYR A 65 -9.140 1.095 6.322 1.00 14.50 C ATOM 950 CZ TYR A 65 -10.530 1.345 6.249 1.00 45.55 C ATOM 951 OH TYR A 65 -11.415 0.539 6.891 1.00 71.01 O ATOM 0 H TYR A 65 -6.986 4.629 7.189 1.00 34.02 H new ATOM 0 HA TYR A 65 -6.661 5.929 4.633 1.00 65.04 H new ATOM 0 HB2 TYR A 65 -8.184 4.445 3.440 1.00 21.01 H new ATOM 0 HB3 TYR A 65 -6.845 3.487 4.040 1.00 21.01 H new ATOM 0 HD1 TYR A 65 -10.446 4.252 4.461 1.00 14.14 H new ATOM 0 HD2 TYR A 65 -7.173 1.779 5.759 1.00 71.41 H new ATOM 0 HE1 TYR A 65 -12.062 2.678 5.499 1.00 1.42 H new ATOM 0 HE2 TYR A 65 -8.775 0.227 6.851 1.00 14.50 H new ATOM 0 HH TYR A 65 -10.935 -0.203 7.313 1.00 71.01 H new ATOM 960 N GLU A 66 -9.268 6.643 4.838 1.00 25.14 N ATOM 961 CA GLU A 66 -10.602 7.191 5.120 1.00 74.15 C ATOM 962 C GLU A 66 -11.672 6.678 4.152 1.00 12.24 C ATOM 963 O GLU A 66 -12.474 5.835 4.557 1.00 64.14 O ATOM 964 CB GLU A 66 -10.602 8.715 5.195 1.00 53.41 C ATOM 965 CG GLU A 66 -9.950 9.280 6.465 1.00 31.33 C ATOM 966 CD GLU A 66 -10.389 10.729 6.700 1.00 70.22 C ATOM 967 OE1 GLU A 66 -9.783 11.649 6.101 1.00 21.43 O ATOM 968 OE2 GLU A 66 -11.385 10.969 7.423 1.00 51.32 O ATOM 0 H GLU A 66 -8.961 6.812 3.880 1.00 25.14 H new ATOM 0 HA GLU A 66 -10.869 6.820 6.109 1.00 74.15 H new ATOM 0 HB2 GLU A 66 -10.079 9.111 4.324 1.00 53.41 H new ATOM 0 HB3 GLU A 66 -11.631 9.071 5.138 1.00 53.41 H new ATOM 0 HG2 GLU A 66 -10.224 8.668 7.324 1.00 31.33 H new ATOM 0 HG3 GLU A 66 -8.865 9.234 6.374 1.00 31.33 H new ATOM 973 N GLU A 67 -11.742 7.201 2.925 1.00 33.32 N ATOM 974 CA GLU A 67 -12.808 7.018 1.943 1.00 71.31 C ATOM 975 C GLU A 67 -12.283 7.476 0.571 1.00 21.43 C ATOM 976 O GLU A 67 -11.499 8.424 0.535 1.00 2.30 O ATOM 977 CB GLU A 67 -13.969 7.893 2.409 1.00 25.12 C ATOM 978 CG GLU A 67 -15.286 7.537 1.730 1.00 22.21 C ATOM 979 CD GLU A 67 -15.903 6.247 2.295 1.00 72.22 C ATOM 980 OE1 GLU A 67 -16.273 6.209 3.494 1.00 3.21 O ATOM 981 OE2 GLU A 67 -16.040 5.241 1.566 1.00 62.04 O ATOM 0 H GLU A 67 -11.002 7.806 2.569 1.00 33.32 H new ATOM 0 HA GLU A 67 -13.131 5.981 1.854 1.00 71.31 H new ATOM 0 HB2 GLU A 67 -14.083 7.793 3.488 1.00 25.12 H new ATOM 0 HB3 GLU A 67 -13.733 8.938 2.209 1.00 25.12 H new ATOM 0 HG2 GLU A 67 -15.991 8.359 1.855 1.00 22.21 H new ATOM 0 HG3 GLU A 67 -15.120 7.419 0.659 1.00 22.21 H new ATOM 986 N GLU A 68 -12.709 6.849 -0.532 1.00 63.01 N ATOM 987 CA GLU A 68 -12.376 7.250 -1.902 1.00 33.02 C ATOM 988 C GLU A 68 -13.661 7.721 -2.585 1.00 43.54 C ATOM 989 O GLU A 68 -14.527 6.907 -2.921 1.00 1.52 O ATOM 990 CB GLU A 68 -11.714 6.091 -2.672 1.00 73.02 C ATOM 991 CG GLU A 68 -10.686 6.557 -3.716 1.00 4.33 C ATOM 992 CD GLU A 68 -11.207 6.693 -5.145 1.00 11.41 C ATOM 993 OE1 GLU A 68 -12.432 6.848 -5.367 1.00 2.42 O ATOM 994 OE2 GLU A 68 -10.343 6.653 -6.053 1.00 53.15 O ATOM 0 H GLU A 68 -13.311 6.027 -0.494 1.00 63.01 H new ATOM 0 HA GLU A 68 -11.652 8.065 -1.889 1.00 33.02 H new ATOM 0 HB2 GLU A 68 -11.223 5.427 -1.961 1.00 73.02 H new ATOM 0 HB3 GLU A 68 -12.488 5.508 -3.171 1.00 73.02 H new ATOM 0 HG2 GLU A 68 -10.288 7.521 -3.401 1.00 4.33 H new ATOM 0 HG3 GLU A 68 -9.853 5.853 -3.718 1.00 4.33 H new ATOM 999 N VAL A 69 -13.836 9.039 -2.702 1.00 30.42 N ATOM 1000 CA VAL A 69 -15.065 9.642 -3.215 1.00 53.15 C ATOM 1001 C VAL A 69 -14.797 11.063 -3.754 1.00 62.43 C ATOM 1002 O VAL A 69 -15.687 11.915 -3.793 1.00 45.34 O ATOM 1003 CB VAL A 69 -16.129 9.532 -2.093 1.00 30.31 C ATOM 1004 CG1 VAL A 69 -15.775 10.259 -0.790 1.00 11.41 C ATOM 1005 CG2 VAL A 69 -17.526 9.937 -2.555 1.00 42.42 C ATOM 0 H VAL A 69 -13.124 9.721 -2.441 1.00 30.42 H new ATOM 0 HA VAL A 69 -15.459 9.117 -4.086 1.00 53.15 H new ATOM 0 HB VAL A 69 -16.131 8.467 -1.861 1.00 30.31 H new ATOM 0 HG11 VAL A 69 -16.580 10.124 -0.068 1.00 11.41 H new ATOM 0 HG12 VAL A 69 -14.850 9.849 -0.384 1.00 11.41 H new ATOM 0 HG13 VAL A 69 -15.643 11.322 -0.991 1.00 11.41 H new ATOM 0 HG21 VAL A 69 -18.226 9.839 -1.726 1.00 42.42 H new ATOM 0 HG22 VAL A 69 -17.511 10.972 -2.896 1.00 42.42 H new ATOM 0 HG23 VAL A 69 -17.840 9.290 -3.374 1.00 42.42 H new ATOM 1015 N LEU A 70 -13.551 11.322 -4.148 1.00 62.35 N ATOM 1016 CA LEU A 70 -12.971 12.640 -4.369 1.00 44.44 C ATOM 1017 C LEU A 70 -13.735 13.399 -5.442 1.00 3.21 C ATOM 1018 O LEU A 70 -14.079 12.805 -6.485 1.00 43.11 O ATOM 1019 CB LEU A 70 -11.475 12.454 -4.699 1.00 53.15 C ATOM 1020 CG LEU A 70 -10.588 13.569 -4.127 1.00 45.52 C ATOM 1021 CD1 LEU A 70 -9.135 13.093 -4.046 1.00 3.12 C ATOM 1022 CD2 LEU A 70 -10.647 14.858 -4.947 1.00 63.04 C ATOM 0 H LEU A 70 -12.884 10.573 -4.331 1.00 62.35 H new ATOM 0 HA LEU A 70 -13.051 13.254 -3.472 1.00 44.44 H new ATOM 0 HB2 LEU A 70 -11.139 11.494 -4.307 1.00 53.15 H new ATOM 0 HB3 LEU A 70 -11.350 12.418 -5.781 1.00 53.15 H new ATOM 0 HG LEU A 70 -10.974 13.794 -3.133 1.00 45.52 H new ATOM 0 HD11 LEU A 70 -8.513 13.890 -3.639 1.00 3.12 H new ATOM 0 HD12 LEU A 70 -9.074 12.219 -3.398 1.00 3.12 H new ATOM 0 HD13 LEU A 70 -8.782 12.831 -5.043 1.00 3.12 H new ATOM 0 HD21 LEU A 70 -10.000 15.608 -4.493 1.00 63.04 H new ATOM 0 HD22 LEU A 70 -10.312 14.658 -5.965 1.00 63.04 H new ATOM 0 HD23 LEU A 70 -11.672 15.229 -4.969 1.00 63.04 H new TER 1033 LEU A 70