USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 438 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 42 SER OG : rot 170:sc= -0.733 USER MOD Set 1.2: A 45 GLN : amide:sc= 0 X(o=-0.73,f=-1.1) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= -1.28 USER MOD Set 2.2: A 13 GLN :FLIP amide:sc= 0 F(o=-2,f=-1.3) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0.94 (180deg=0.935) USER MOD Single : A 9 MET CE :methyl -171:sc= -0.0121 (180deg=-0.187) USER MOD Single : A 16 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.043) USER MOD Single : A 17 THR OG1 : rot 59:sc= 1.28 USER MOD Single : A 18 HIS : no HE2:sc= 0.935 K(o=0.93,f=-3.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -26:sc= 0.242 USER MOD Single : A 29 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.1) USER MOD Single : A 32 CYS SG : rot -43:sc= -1.39 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -156:sc= -0.186 (180deg=-0.867) USER MOD Single : A 39 GLN : amide:sc= -0.604 X(o=-0.6,f=-1.1) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 48 ASN : amide:sc= 0.867 K(o=0.87,f=-0.061) USER MOD Single : A 50 HIS : no HD1:sc= 1.05 K(o=1,f=-6.4!) USER MOD Single : A 53 ASN : amide:sc= -0.91 K(o=-0.91,f=-11!) USER MOD Single : A 62 ASN : amide:sc= 1.41 K(o=1.4,f=0.32) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.440 6.678 -2.603 1.00 11.41 N ATOM 74 CA PHE A 5 -5.909 5.361 -2.238 1.00 51.44 C ATOM 75 C PHE A 5 -6.939 4.567 -1.421 1.00 54.10 C ATOM 76 O PHE A 5 -7.360 4.996 -0.341 1.00 44.35 O ATOM 77 CB PHE A 5 -4.600 5.514 -1.450 1.00 33.44 C ATOM 78 CG PHE A 5 -3.516 6.208 -2.239 1.00 34.11 C ATOM 79 CD1 PHE A 5 -2.693 5.488 -3.093 1.00 52.14 C ATOM 80 CD2 PHE A 5 -3.327 7.581 -2.132 1.00 11.20 C ATOM 81 CE1 PHE A 5 -1.709 6.121 -3.826 1.00 33.13 C ATOM 82 CE2 PHE A 5 -2.341 8.217 -2.863 1.00 43.53 C ATOM 83 CZ PHE A 5 -1.530 7.486 -3.710 1.00 73.32 C ATOM 0 HA PHE A 5 -5.702 4.808 -3.154 1.00 51.44 H new ATOM 0 HB2 PHE A 5 -4.795 6.077 -0.537 1.00 33.44 H new ATOM 0 HB3 PHE A 5 -4.247 4.528 -1.147 1.00 33.44 H new ATOM 0 HD1 PHE A 5 -2.824 4.420 -3.185 1.00 52.14 H new ATOM 0 HD2 PHE A 5 -3.957 8.157 -1.471 1.00 11.20 H new ATOM 0 HE1 PHE A 5 -1.079 5.549 -4.491 1.00 33.13 H new ATOM 0 HE2 PHE A 5 -2.205 9.284 -2.772 1.00 43.53 H new ATOM 0 HZ PHE A 5 -0.758 7.981 -4.280 1.00 73.32 H new ATOM 93 N THR A 6 -7.341 3.411 -1.944 1.00 64.51 N ATOM 94 CA THR A 6 -8.373 2.578 -1.306 1.00 23.44 C ATOM 95 C THR A 6 -7.856 1.176 -0.965 1.00 52.03 C ATOM 96 O THR A 6 -6.776 0.774 -1.390 1.00 52.13 O ATOM 97 CB THR A 6 -9.622 2.432 -2.207 1.00 11.31 C ATOM 98 OG1 THR A 6 -10.555 1.511 -1.615 1.00 44.43 O ATOM 99 CG2 THR A 6 -9.238 1.947 -3.603 1.00 3.25 C ATOM 0 H THR A 6 -6.970 3.023 -2.811 1.00 64.51 H new ATOM 0 HA THR A 6 -8.642 3.093 -0.384 1.00 23.44 H new ATOM 0 HB THR A 6 -10.088 3.413 -2.298 1.00 11.31 H new ATOM 0 HG1 THR A 6 -11.343 1.427 -2.192 1.00 44.43 H new ATOM 0 HG21 THR A 6 -10.135 1.853 -4.215 1.00 3.25 H new ATOM 0 HG22 THR A 6 -8.558 2.664 -4.063 1.00 3.25 H new ATOM 0 HG23 THR A 6 -8.746 0.977 -3.529 1.00 3.25 H new ATOM 107 N LYS A 7 -8.651 0.430 -0.206 1.00 34.02 N ATOM 108 CA LYS A 7 -8.298 -0.933 0.201 1.00 52.11 C ATOM 109 C LYS A 7 -8.415 -1.928 -0.966 1.00 25.41 C ATOM 110 O LYS A 7 -7.871 -3.037 -0.916 1.00 64.24 O ATOM 111 CB LYS A 7 -9.209 -1.380 1.354 1.00 42.54 C ATOM 112 CG LYS A 7 -10.704 -1.282 1.042 1.00 65.11 C ATOM 113 CD LYS A 7 -11.556 -1.979 2.102 1.00 45.40 C ATOM 114 CE LYS A 7 -11.296 -1.432 3.502 1.00 13.52 C ATOM 115 NZ LYS A 7 -11.984 -2.237 4.546 1.00 35.25 N ATOM 0 H LYS A 7 -9.555 0.747 0.145 1.00 34.02 H new ATOM 0 HA LYS A 7 -7.258 -0.924 0.528 1.00 52.11 H new ATOM 0 HB2 LYS A 7 -8.970 -2.411 1.613 1.00 42.54 H new ATOM 0 HB3 LYS A 7 -8.991 -0.772 2.232 1.00 42.54 H new ATOM 0 HG2 LYS A 7 -10.993 -0.233 0.977 1.00 65.11 H new ATOM 0 HG3 LYS A 7 -10.901 -1.728 0.067 1.00 65.11 H new ATOM 0 HD2 LYS A 7 -12.611 -1.856 1.856 1.00 45.40 H new ATOM 0 HD3 LYS A 7 -11.348 -3.049 2.087 1.00 45.40 H new ATOM 0 HE2 LYS A 7 -10.223 -1.425 3.696 1.00 13.52 H new ATOM 0 HE3 LYS A 7 -11.636 -0.398 3.557 1.00 13.52 H new ATOM 0 HZ1 LYS A 7 -11.742 -1.865 5.487 1.00 35.25 H new ATOM 0 HZ2 LYS A 7 -13.013 -2.181 4.405 1.00 35.25 H new ATOM 0 HZ3 LYS A 7 -11.679 -3.229 4.477 1.00 35.25 H new ATOM 129 N ASP A 8 -9.134 -1.524 -2.008 1.00 1.01 N ATOM 130 CA ASP A 8 -9.405 -2.390 -3.162 1.00 72.43 C ATOM 131 C ASP A 8 -8.232 -2.425 -4.166 1.00 31.12 C ATOM 132 O ASP A 8 -7.942 -3.467 -4.758 1.00 1.21 O ATOM 133 CB ASP A 8 -10.685 -1.905 -3.852 1.00 55.31 C ATOM 134 CG ASP A 8 -11.030 -2.714 -5.087 1.00 20.32 C ATOM 135 OD1 ASP A 8 -11.541 -3.843 -4.941 1.00 31.44 O ATOM 136 OD2 ASP A 8 -10.790 -2.223 -6.206 1.00 23.15 O ATOM 0 H ASP A 8 -9.545 -0.594 -2.082 1.00 1.01 H new ATOM 0 HA ASP A 8 -9.531 -3.410 -2.799 1.00 72.43 H new ATOM 0 HB2 ASP A 8 -11.514 -1.956 -3.146 1.00 55.31 H new ATOM 0 HB3 ASP A 8 -10.568 -0.858 -4.130 1.00 55.31 H new ATOM 141 N MET A 9 -7.562 -1.291 -4.350 1.00 34.21 N ATOM 142 CA MET A 9 -6.479 -1.173 -5.340 1.00 23.52 C ATOM 143 C MET A 9 -5.247 -2.012 -4.954 1.00 54.52 C ATOM 144 O MET A 9 -4.991 -2.262 -3.774 1.00 32.33 O ATOM 145 CB MET A 9 -6.092 0.302 -5.513 1.00 24.11 C ATOM 146 CG MET A 9 -5.548 0.948 -4.244 1.00 71.34 C ATOM 147 SD MET A 9 -5.466 2.746 -4.348 1.00 13.23 S ATOM 148 CE MET A 9 -4.380 2.972 -5.757 1.00 44.40 C ATOM 0 H MET A 9 -7.746 -0.434 -3.828 1.00 34.21 H new ATOM 0 HA MET A 9 -6.849 -1.566 -6.287 1.00 23.52 H new ATOM 0 HB2 MET A 9 -5.342 0.381 -6.300 1.00 24.11 H new ATOM 0 HB3 MET A 9 -6.966 0.860 -5.848 1.00 24.11 H new ATOM 0 HG2 MET A 9 -6.179 0.667 -3.401 1.00 71.34 H new ATOM 0 HG3 MET A 9 -4.551 0.555 -4.042 1.00 71.34 H new ATOM 0 HE1 MET A 9 -4.110 4.024 -5.843 1.00 44.40 H new ATOM 0 HE2 MET A 9 -3.478 2.376 -5.620 1.00 44.40 H new ATOM 0 HE3 MET A 9 -4.891 2.653 -6.665 1.00 44.40 H new ATOM 158 N THR A 10 -4.488 -2.445 -5.959 1.00 21.13 N ATOM 159 CA THR A 10 -3.307 -3.293 -5.735 1.00 11.11 C ATOM 160 C THR A 10 -2.048 -2.470 -5.442 1.00 63.45 C ATOM 161 O THR A 10 -1.988 -1.271 -5.734 1.00 31.53 O ATOM 162 CB THR A 10 -3.017 -4.198 -6.954 1.00 53.32 C ATOM 163 OG1 THR A 10 -2.618 -3.401 -8.078 1.00 15.23 O ATOM 164 CG2 THR A 10 -4.242 -5.027 -7.327 1.00 63.23 C ATOM 0 H THR A 10 -4.666 -2.225 -6.939 1.00 21.13 H new ATOM 0 HA THR A 10 -3.546 -3.905 -4.866 1.00 11.11 H new ATOM 0 HB THR A 10 -2.208 -4.876 -6.682 1.00 53.32 H new ATOM 0 HG1 THR A 10 -2.435 -3.984 -8.844 1.00 15.23 H new ATOM 0 HG21 THR A 10 -4.009 -5.654 -8.188 1.00 63.23 H new ATOM 0 HG22 THR A 10 -4.525 -5.658 -6.484 1.00 63.23 H new ATOM 0 HG23 THR A 10 -5.069 -4.362 -7.576 1.00 63.23 H new ATOM 172 N PHE A 11 -1.033 -3.126 -4.869 1.00 31.11 N ATOM 173 CA PHE A 11 0.252 -2.476 -4.583 1.00 4.32 C ATOM 174 C PHE A 11 0.890 -1.892 -5.855 1.00 72.31 C ATOM 175 O PHE A 11 1.399 -0.771 -5.841 1.00 53.25 O ATOM 176 CB PHE A 11 1.222 -3.464 -3.919 1.00 30.44 C ATOM 177 CG PHE A 11 0.814 -3.878 -2.526 1.00 40.42 C ATOM 178 CD1 PHE A 11 1.199 -3.125 -1.425 1.00 53.34 C ATOM 179 CD2 PHE A 11 0.046 -5.016 -2.316 1.00 51.24 C ATOM 180 CE1 PHE A 11 0.829 -3.498 -0.148 1.00 60.20 C ATOM 181 CE2 PHE A 11 -0.327 -5.392 -1.040 1.00 33.02 C ATOM 182 CZ PHE A 11 0.065 -4.632 0.045 1.00 23.34 C ATOM 0 H PHE A 11 -1.076 -4.107 -4.594 1.00 31.11 H new ATOM 0 HA PHE A 11 0.053 -1.653 -3.897 1.00 4.32 H new ATOM 0 HB2 PHE A 11 1.303 -4.354 -4.543 1.00 30.44 H new ATOM 0 HB3 PHE A 11 2.213 -3.013 -3.878 1.00 30.44 H new ATOM 0 HD1 PHE A 11 1.795 -2.236 -1.569 1.00 53.34 H new ATOM 0 HD2 PHE A 11 -0.263 -5.614 -3.160 1.00 51.24 H new ATOM 0 HE1 PHE A 11 1.137 -2.903 0.699 1.00 60.20 H new ATOM 0 HE2 PHE A 11 -0.924 -6.279 -0.891 1.00 33.02 H new ATOM 0 HZ PHE A 11 -0.226 -4.924 1.043 1.00 23.34 H new ATOM 192 N ALA A 12 0.849 -2.653 -6.953 1.00 74.20 N ATOM 193 CA ALA A 12 1.405 -2.195 -8.233 1.00 61.45 C ATOM 194 C ALA A 12 0.755 -0.878 -8.685 1.00 34.21 C ATOM 195 O ALA A 12 1.446 0.069 -9.069 1.00 51.43 O ATOM 196 CB ALA A 12 1.231 -3.269 -9.302 1.00 13.21 C ATOM 0 H ALA A 12 0.438 -3.586 -6.983 1.00 74.20 H new ATOM 0 HA ALA A 12 2.470 -2.010 -8.089 1.00 61.45 H new ATOM 0 HB1 ALA A 12 1.648 -2.915 -10.245 1.00 13.21 H new ATOM 0 HB2 ALA A 12 1.750 -4.177 -8.994 1.00 13.21 H new ATOM 0 HB3 ALA A 12 0.170 -3.484 -9.432 1.00 13.21 H new ATOM 202 N GLN A 13 -0.576 -0.819 -8.617 1.00 14.44 N ATOM 203 CA GLN A 13 -1.317 0.403 -8.959 1.00 43.34 C ATOM 204 C GLN A 13 -0.874 1.581 -8.074 1.00 64.54 C ATOM 205 O GLN A 13 -0.531 2.652 -8.574 1.00 24.15 O ATOM 206 CB GLN A 13 -2.828 0.174 -8.810 1.00 44.14 C ATOM 207 CG GLN A 13 -3.385 -0.907 -9.732 1.00 2.40 C ATOM 208 CD GLN A 13 -4.868 -1.177 -9.511 1.00 32.40 C ATOM 209 OE1 GLN A 13 -5.619 -0.155 -9.145 1.00 62.25 O flip ATOM 210 NE2 GLN A 13 -5.341 -2.297 -9.688 1.00 73.53 N flip ATOM 0 H GLN A 13 -1.165 -1.600 -8.329 1.00 14.44 H new ATOM 0 HA GLN A 13 -1.097 0.650 -9.998 1.00 43.34 H new ATOM 0 HB2 GLN A 13 -3.044 -0.097 -7.777 1.00 44.14 H new ATOM 0 HB3 GLN A 13 -3.349 1.111 -9.009 1.00 44.14 H new ATOM 0 HG2 GLN A 13 -3.227 -0.609 -10.768 1.00 2.40 H new ATOM 0 HG3 GLN A 13 -2.827 -1.830 -9.577 1.00 2.40 H new ATOM 0 HE21 GLN A 13 -4.735 -3.068 -9.971 1.00 73.53 H new ATOM 0 HE22 GLN A 13 -6.339 -2.456 -9.552 1.00 73.53 H new ATOM 219 N ALA A 14 -0.867 1.364 -6.756 1.00 21.12 N ATOM 220 CA ALA A 14 -0.461 2.401 -5.797 1.00 22.33 C ATOM 221 C ALA A 14 0.954 2.933 -6.091 1.00 15.54 C ATOM 222 O ALA A 14 1.178 4.148 -6.127 1.00 73.13 O ATOM 223 CB ALA A 14 -0.544 1.860 -4.372 1.00 13.10 C ATOM 0 H ALA A 14 -1.138 0.480 -6.326 1.00 21.12 H new ATOM 0 HA ALA A 14 -1.150 3.239 -5.903 1.00 22.33 H new ATOM 0 HB1 ALA A 14 -0.241 2.637 -3.670 1.00 13.10 H new ATOM 0 HB2 ALA A 14 -1.569 1.556 -4.157 1.00 13.10 H new ATOM 0 HB3 ALA A 14 0.118 1.000 -4.270 1.00 13.10 H new ATOM 229 N LEU A 15 1.895 2.017 -6.319 1.00 10.14 N ATOM 230 CA LEU A 15 3.288 2.380 -6.621 1.00 71.50 C ATOM 231 C LEU A 15 3.399 3.289 -7.858 1.00 34.32 C ATOM 232 O LEU A 15 4.268 4.162 -7.922 1.00 0.22 O ATOM 233 CB LEU A 15 4.136 1.117 -6.836 1.00 34.03 C ATOM 234 CG LEU A 15 4.355 0.249 -5.585 1.00 53.03 C ATOM 235 CD1 LEU A 15 5.110 -1.030 -5.942 1.00 62.21 C ATOM 236 CD2 LEU A 15 5.105 1.037 -4.512 1.00 31.42 C ATOM 0 H LEU A 15 1.721 1.012 -6.301 1.00 10.14 H new ATOM 0 HA LEU A 15 3.664 2.936 -5.762 1.00 71.50 H new ATOM 0 HB2 LEU A 15 3.659 0.506 -7.603 1.00 34.03 H new ATOM 0 HB3 LEU A 15 5.109 1.415 -7.226 1.00 34.03 H new ATOM 0 HG LEU A 15 3.380 -0.032 -5.186 1.00 53.03 H new ATOM 0 HD11 LEU A 15 5.255 -1.630 -5.044 1.00 62.21 H new ATOM 0 HD12 LEU A 15 4.534 -1.601 -6.671 1.00 62.21 H new ATOM 0 HD13 LEU A 15 6.080 -0.773 -6.367 1.00 62.21 H new ATOM 0 HD21 LEU A 15 5.251 0.408 -3.634 1.00 31.42 H new ATOM 0 HD22 LEU A 15 6.074 1.349 -4.901 1.00 31.42 H new ATOM 0 HD23 LEU A 15 4.525 1.917 -4.235 1.00 31.42 H new ATOM 248 N GLN A 16 2.526 3.073 -8.839 1.00 51.41 N ATOM 249 CA GLN A 16 2.536 3.864 -10.077 1.00 60.04 C ATOM 250 C GLN A 16 1.565 5.059 -10.009 1.00 41.52 C ATOM 251 O GLN A 16 1.510 5.873 -10.931 1.00 24.21 O ATOM 252 CB GLN A 16 2.197 2.964 -11.274 1.00 2.13 C ATOM 253 CG GLN A 16 3.176 1.804 -11.468 1.00 2.23 C ATOM 254 CD GLN A 16 4.596 2.273 -11.750 1.00 13.32 C ATOM 255 OE1 GLN A 16 4.985 2.462 -12.896 1.00 22.03 O ATOM 256 NE2 GLN A 16 5.382 2.465 -10.709 1.00 63.03 N ATOM 0 H GLN A 16 1.800 2.357 -8.805 1.00 51.41 H new ATOM 0 HA GLN A 16 3.539 4.272 -10.202 1.00 60.04 H new ATOM 0 HB2 GLN A 16 1.193 2.562 -11.142 1.00 2.13 H new ATOM 0 HB3 GLN A 16 2.181 3.570 -12.180 1.00 2.13 H new ATOM 0 HG2 GLN A 16 3.175 1.180 -10.574 1.00 2.23 H new ATOM 0 HG3 GLN A 16 2.834 1.180 -12.293 1.00 2.23 H new ATOM 0 HE21 GLN A 16 5.029 2.299 -9.766 1.00 63.03 H new ATOM 0 HE22 GLN A 16 6.343 2.779 -10.846 1.00 63.03 H new ATOM 265 N THR A 17 0.798 5.160 -8.920 1.00 61.33 N ATOM 266 CA THR A 17 -0.099 6.309 -8.711 1.00 12.55 C ATOM 267 C THR A 17 0.686 7.525 -8.192 1.00 60.31 C ATOM 268 O THR A 17 0.607 8.615 -8.756 1.00 4.34 O ATOM 269 CB THR A 17 -1.253 5.977 -7.726 1.00 73.40 C ATOM 270 OG1 THR A 17 -2.026 4.877 -8.226 1.00 10.14 O ATOM 271 CG2 THR A 17 -2.171 7.181 -7.517 1.00 54.23 C ATOM 0 H THR A 17 0.777 4.467 -8.172 1.00 61.33 H new ATOM 0 HA THR A 17 -0.539 6.546 -9.680 1.00 12.55 H new ATOM 0 HB THR A 17 -0.804 5.712 -6.769 1.00 73.40 H new ATOM 0 HG1 THR A 17 -1.447 4.095 -8.339 1.00 10.14 H new ATOM 0 HG21 THR A 17 -2.968 6.915 -6.822 1.00 54.23 H new ATOM 0 HG22 THR A 17 -1.595 8.011 -7.108 1.00 54.23 H new ATOM 0 HG23 THR A 17 -2.606 7.477 -8.472 1.00 54.23 H new ATOM 279 N HIS A 18 1.445 7.325 -7.114 1.00 62.23 N ATOM 280 CA HIS A 18 2.302 8.379 -6.538 1.00 12.20 C ATOM 281 C HIS A 18 3.665 7.807 -6.097 1.00 14.23 C ATOM 282 O HIS A 18 3.722 6.760 -5.452 1.00 74.31 O ATOM 283 CB HIS A 18 1.603 9.058 -5.342 1.00 71.10 C ATOM 284 CG HIS A 18 0.868 10.324 -5.684 1.00 71.31 C ATOM 285 ND1 HIS A 18 0.095 10.482 -6.814 1.00 22.21 N ATOM 286 CD2 HIS A 18 0.818 11.514 -5.035 1.00 73.02 C ATOM 287 CE1 HIS A 18 -0.395 11.705 -6.845 1.00 53.34 C ATOM 288 NE2 HIS A 18 0.027 12.348 -5.779 1.00 10.01 N ATOM 0 H HIS A 18 1.488 6.437 -6.614 1.00 62.23 H new ATOM 0 HA HIS A 18 2.476 9.125 -7.314 1.00 12.20 H new ATOM 0 HB2 HIS A 18 0.899 8.352 -4.901 1.00 71.10 H new ATOM 0 HB3 HIS A 18 2.350 9.281 -4.580 1.00 71.10 H new ATOM 0 HD1 HIS A 18 -0.072 9.763 -7.518 1.00 22.21 H new ATOM 0 HD2 HIS A 18 1.310 11.758 -4.105 1.00 73.02 H new ATOM 0 HE1 HIS A 18 -1.035 12.110 -7.615 1.00 53.34 H new ATOM 297 N PRO A 19 4.780 8.496 -6.420 1.00 61.34 N ATOM 298 CA PRO A 19 6.139 8.033 -6.065 1.00 65.14 C ATOM 299 C PRO A 19 6.353 7.876 -4.545 1.00 41.35 C ATOM 300 O PRO A 19 7.061 6.971 -4.100 1.00 35.34 O ATOM 301 CB PRO A 19 7.057 9.133 -6.632 1.00 23.35 C ATOM 302 CG PRO A 19 6.171 10.322 -6.814 1.00 11.14 C ATOM 303 CD PRO A 19 4.815 9.771 -7.159 1.00 73.11 C ATOM 0 HA PRO A 19 6.337 7.040 -6.470 1.00 65.14 H new ATOM 0 HB2 PRO A 19 7.877 9.353 -5.949 1.00 23.35 H new ATOM 0 HB3 PRO A 19 7.504 8.825 -7.578 1.00 23.35 H new ATOM 0 HG2 PRO A 19 6.130 10.922 -5.905 1.00 11.14 H new ATOM 0 HG3 PRO A 19 6.544 10.970 -7.607 1.00 11.14 H new ATOM 0 HD2 PRO A 19 4.015 10.442 -6.846 1.00 73.11 H new ATOM 0 HD3 PRO A 19 4.702 9.619 -8.232 1.00 73.11 H new ATOM 311 N GLY A 20 5.728 8.751 -3.756 1.00 21.11 N ATOM 312 CA GLY A 20 5.883 8.705 -2.300 1.00 40.54 C ATOM 313 C GLY A 20 5.313 7.440 -1.658 1.00 44.41 C ATOM 314 O GLY A 20 5.675 7.091 -0.531 1.00 25.33 O ATOM 0 H GLY A 20 5.116 9.493 -4.095 1.00 21.11 H new ATOM 0 HA2 GLY A 20 6.942 8.780 -2.054 1.00 40.54 H new ATOM 0 HA3 GLY A 20 5.392 9.575 -1.864 1.00 40.54 H new ATOM 318 N VAL A 21 4.427 6.747 -2.379 1.00 1.43 N ATOM 319 CA VAL A 21 3.779 5.529 -1.871 1.00 53.54 C ATOM 320 C VAL A 21 4.804 4.449 -1.489 1.00 24.13 C ATOM 321 O VAL A 21 4.658 3.783 -0.464 1.00 42.21 O ATOM 322 CB VAL A 21 2.785 4.947 -2.913 1.00 54.20 C ATOM 323 CG1 VAL A 21 2.172 3.631 -2.430 1.00 70.45 C ATOM 324 CG2 VAL A 21 1.695 5.967 -3.233 1.00 35.52 C ATOM 0 H VAL A 21 4.139 7.009 -3.322 1.00 1.43 H new ATOM 0 HA VAL A 21 3.233 5.820 -0.974 1.00 53.54 H new ATOM 0 HB VAL A 21 3.342 4.733 -3.825 1.00 54.20 H new ATOM 0 HG11 VAL A 21 1.482 3.253 -3.184 1.00 70.45 H new ATOM 0 HG12 VAL A 21 2.964 2.900 -2.264 1.00 70.45 H new ATOM 0 HG13 VAL A 21 1.633 3.801 -1.498 1.00 70.45 H new ATOM 0 HG21 VAL A 21 1.006 5.545 -3.965 1.00 35.52 H new ATOM 0 HG22 VAL A 21 1.150 6.215 -2.322 1.00 35.52 H new ATOM 0 HG23 VAL A 21 2.150 6.870 -3.641 1.00 35.52 H new ATOM 334 N ALA A 22 5.841 4.290 -2.311 1.00 22.50 N ATOM 335 CA ALA A 22 6.888 3.291 -2.063 1.00 41.42 C ATOM 336 C ALA A 22 7.463 3.406 -0.640 1.00 74.05 C ATOM 337 O ALA A 22 7.447 2.440 0.130 1.00 25.10 O ATOM 338 CB ALA A 22 7.997 3.436 -3.099 1.00 25.22 C ATOM 0 H ALA A 22 5.981 4.841 -3.158 1.00 22.50 H new ATOM 0 HA ALA A 22 6.437 2.303 -2.151 1.00 41.42 H new ATOM 0 HB1 ALA A 22 8.771 2.692 -2.910 1.00 25.22 H new ATOM 0 HB2 ALA A 22 7.585 3.285 -4.097 1.00 25.22 H new ATOM 0 HB3 ALA A 22 8.429 4.434 -3.032 1.00 25.22 H new ATOM 344 N GLY A 23 7.951 4.597 -0.294 1.00 2.43 N ATOM 345 CA GLY A 23 8.505 4.834 1.037 1.00 53.45 C ATOM 346 C GLY A 23 7.497 4.584 2.157 1.00 73.32 C ATOM 347 O GLY A 23 7.844 4.034 3.205 1.00 53.03 O ATOM 0 H GLY A 23 7.974 5.407 -0.913 1.00 2.43 H new ATOM 0 HA2 GLY A 23 9.371 4.188 1.184 1.00 53.45 H new ATOM 0 HA3 GLY A 23 8.860 5.863 1.099 1.00 53.45 H new ATOM 351 N VAL A 24 6.244 4.981 1.933 1.00 42.42 N ATOM 352 CA VAL A 24 5.171 4.759 2.911 1.00 5.24 C ATOM 353 C VAL A 24 4.941 3.258 3.150 1.00 0.53 C ATOM 354 O VAL A 24 4.846 2.804 4.295 1.00 2.51 O ATOM 355 CB VAL A 24 3.845 5.416 2.456 1.00 44.42 C ATOM 356 CG1 VAL A 24 2.727 5.138 3.458 1.00 72.24 C ATOM 357 CG2 VAL A 24 4.030 6.920 2.252 1.00 44.32 C ATOM 0 H VAL A 24 5.944 5.459 1.083 1.00 42.42 H new ATOM 0 HA VAL A 24 5.490 5.224 3.844 1.00 5.24 H new ATOM 0 HB VAL A 24 3.558 4.975 1.501 1.00 44.42 H new ATOM 0 HG11 VAL A 24 1.806 5.610 3.116 1.00 72.24 H new ATOM 0 HG12 VAL A 24 2.574 4.062 3.543 1.00 72.24 H new ATOM 0 HG13 VAL A 24 3.002 5.543 4.432 1.00 72.24 H new ATOM 0 HG21 VAL A 24 3.087 7.363 1.932 1.00 44.32 H new ATOM 0 HG22 VAL A 24 4.347 7.378 3.189 1.00 44.32 H new ATOM 0 HG23 VAL A 24 4.789 7.093 1.489 1.00 44.32 H new ATOM 367 N LEU A 25 4.859 2.487 2.067 1.00 30.21 N ATOM 368 CA LEU A 25 4.704 1.034 2.172 1.00 5.32 C ATOM 369 C LEU A 25 5.863 0.419 2.971 1.00 51.32 C ATOM 370 O LEU A 25 5.648 -0.388 3.878 1.00 15.32 O ATOM 371 CB LEU A 25 4.620 0.394 0.777 1.00 41.20 C ATOM 372 CG LEU A 25 3.419 0.834 -0.082 1.00 71.23 C ATOM 373 CD1 LEU A 25 3.413 0.094 -1.419 1.00 23.01 C ATOM 374 CD2 LEU A 25 2.102 0.611 0.666 1.00 62.21 C ATOM 0 H LEU A 25 4.897 2.840 1.111 1.00 30.21 H new ATOM 0 HA LEU A 25 3.773 0.832 2.702 1.00 5.32 H new ATOM 0 HB2 LEU A 25 5.537 0.625 0.234 1.00 41.20 H new ATOM 0 HB3 LEU A 25 4.583 -0.689 0.895 1.00 41.20 H new ATOM 0 HG LEU A 25 3.518 1.901 -0.282 1.00 71.23 H new ATOM 0 HD11 LEU A 25 2.557 0.419 -2.011 1.00 23.01 H new ATOM 0 HD12 LEU A 25 4.333 0.314 -1.961 1.00 23.01 H new ATOM 0 HD13 LEU A 25 3.344 -0.979 -1.241 1.00 23.01 H new ATOM 0 HD21 LEU A 25 1.269 0.929 0.039 1.00 62.21 H new ATOM 0 HD22 LEU A 25 1.993 -0.447 0.904 1.00 62.21 H new ATOM 0 HD23 LEU A 25 2.104 1.192 1.588 1.00 62.21 H new ATOM 386 N ARG A 26 7.091 0.822 2.648 1.00 34.40 N ATOM 387 CA ARG A 26 8.277 0.350 3.374 1.00 72.31 C ATOM 388 C ARG A 26 8.227 0.772 4.857 1.00 24.32 C ATOM 389 O ARG A 26 8.720 0.061 5.735 1.00 61.10 O ATOM 390 CB ARG A 26 9.555 0.885 2.713 1.00 15.23 C ATOM 391 CG ARG A 26 9.664 0.552 1.228 1.00 72.43 C ATOM 392 CD ARG A 26 11.001 0.997 0.641 1.00 50.13 C ATOM 393 NE ARG A 26 12.106 0.168 1.116 1.00 31.02 N ATOM 394 CZ ARG A 26 13.302 0.607 1.378 1.00 60.13 C ATOM 395 NH1 ARG A 26 13.590 1.865 1.254 1.00 63.34 N ATOM 396 NH2 ARG A 26 14.213 -0.223 1.757 1.00 12.01 N ATOM 0 H ARG A 26 7.294 1.473 1.890 1.00 34.40 H new ATOM 0 HA ARG A 26 8.286 -0.739 3.332 1.00 72.31 H new ATOM 0 HB2 ARG A 26 9.592 1.967 2.837 1.00 15.23 H new ATOM 0 HB3 ARG A 26 10.421 0.475 3.233 1.00 15.23 H new ATOM 0 HG2 ARG A 26 9.545 -0.522 1.087 1.00 72.43 H new ATOM 0 HG3 ARG A 26 8.851 1.036 0.687 1.00 72.43 H new ATOM 0 HD2 ARG A 26 10.954 0.950 -0.447 1.00 50.13 H new ATOM 0 HD3 ARG A 26 11.187 2.037 0.908 1.00 50.13 H new ATOM 0 HE ARG A 26 11.927 -0.827 1.252 1.00 31.02 H new ATOM 0 HH11 ARG A 26 12.874 2.524 0.948 1.00 63.34 H new ATOM 0 HH12 ARG A 26 14.532 2.196 1.463 1.00 63.34 H new ATOM 0 HH21 ARG A 26 13.993 -1.215 1.849 1.00 12.01 H new ATOM 0 HH22 ARG A 26 15.154 0.112 1.965 1.00 12.01 H new ATOM 410 N SER A 27 7.620 1.930 5.127 1.00 20.51 N ATOM 411 CA SER A 27 7.412 2.399 6.510 1.00 24.33 C ATOM 412 C SER A 27 6.516 1.431 7.299 1.00 60.54 C ATOM 413 O SER A 27 6.652 1.292 8.515 1.00 10.20 O ATOM 414 CB SER A 27 6.795 3.805 6.520 1.00 12.24 C ATOM 415 OG SER A 27 6.507 4.238 7.842 1.00 64.21 O ATOM 0 H SER A 27 7.262 2.563 4.412 1.00 20.51 H new ATOM 0 HA SER A 27 8.388 2.436 6.993 1.00 24.33 H new ATOM 0 HB2 SER A 27 7.481 4.508 6.047 1.00 12.24 H new ATOM 0 HB3 SER A 27 5.880 3.806 5.928 1.00 12.24 H new ATOM 0 HG SER A 27 6.117 5.137 7.814 1.00 64.21 H new ATOM 421 N TYR A 28 5.591 0.770 6.602 1.00 54.45 N ATOM 422 CA TYR A 28 4.728 -0.252 7.215 1.00 43.31 C ATOM 423 C TYR A 28 5.280 -1.675 6.993 1.00 41.14 C ATOM 424 O TYR A 28 4.569 -2.662 7.191 1.00 34.54 O ATOM 425 CB TYR A 28 3.302 -0.150 6.650 1.00 31.23 C ATOM 426 CG TYR A 28 2.551 1.100 7.085 1.00 43.24 C ATOM 427 CD1 TYR A 28 2.028 1.205 8.372 1.00 25.04 C ATOM 428 CD2 TYR A 28 2.352 2.166 6.209 1.00 54.41 C ATOM 429 CE1 TYR A 28 1.333 2.330 8.772 1.00 33.13 C ATOM 430 CE2 TYR A 28 1.659 3.296 6.606 1.00 5.45 C ATOM 431 CZ TYR A 28 1.152 3.373 7.887 1.00 71.41 C ATOM 432 OH TYR A 28 0.455 4.493 8.285 1.00 23.13 O ATOM 0 H TYR A 28 5.416 0.922 5.609 1.00 54.45 H new ATOM 0 HA TYR A 28 4.709 -0.065 8.289 1.00 43.31 H new ATOM 0 HB2 TYR A 28 3.351 -0.171 5.561 1.00 31.23 H new ATOM 0 HB3 TYR A 28 2.736 -1.028 6.961 1.00 31.23 H new ATOM 0 HD1 TYR A 28 2.168 0.392 9.069 1.00 25.04 H new ATOM 0 HD2 TYR A 28 2.745 2.109 5.205 1.00 54.41 H new ATOM 0 HE1 TYR A 28 0.933 2.393 9.773 1.00 33.13 H new ATOM 0 HE2 TYR A 28 1.516 4.114 5.916 1.00 5.45 H new ATOM 0 HH TYR A 28 -0.173 4.251 8.997 1.00 23.13 H new ATOM 442 N ASN A 29 6.553 -1.770 6.595 1.00 44.53 N ATOM 443 CA ASN A 29 7.214 -3.066 6.359 1.00 5.22 C ATOM 444 C ASN A 29 6.528 -3.847 5.214 1.00 14.32 C ATOM 445 O ASN A 29 6.436 -5.076 5.237 1.00 42.31 O ATOM 446 CB ASN A 29 7.234 -3.890 7.662 1.00 24.33 C ATOM 447 CG ASN A 29 8.110 -5.127 7.569 1.00 51.30 C ATOM 448 OD1 ASN A 29 9.103 -5.149 6.848 1.00 73.31 O ATOM 449 ND2 ASN A 29 7.758 -6.167 8.300 1.00 13.11 N ATOM 0 H ASN A 29 7.152 -0.962 6.428 1.00 44.53 H new ATOM 0 HA ASN A 29 8.242 -2.879 6.049 1.00 5.22 H new ATOM 0 HB2 ASN A 29 7.589 -3.261 8.478 1.00 24.33 H new ATOM 0 HB3 ASN A 29 6.216 -4.190 7.911 1.00 24.33 H new ATOM 0 HD21 ASN A 29 8.317 -7.020 8.276 1.00 13.11 H new ATOM 0 HD22 ASN A 29 6.927 -6.118 8.890 1.00 13.11 H new ATOM 456 N LEU A 30 6.062 -3.115 4.204 1.00 71.30 N ATOM 457 CA LEU A 30 5.442 -3.716 3.011 1.00 21.42 C ATOM 458 C LEU A 30 6.409 -3.719 1.811 1.00 30.11 C ATOM 459 O LEU A 30 6.008 -4.002 0.684 1.00 21.25 O ATOM 460 CB LEU A 30 4.163 -2.947 2.641 1.00 15.13 C ATOM 461 CG LEU A 30 3.045 -2.984 3.695 1.00 4.14 C ATOM 462 CD1 LEU A 30 1.913 -2.028 3.325 1.00 53.30 C ATOM 463 CD2 LEU A 30 2.509 -4.402 3.860 1.00 50.15 C ATOM 0 H LEU A 30 6.100 -2.096 4.183 1.00 71.30 H new ATOM 0 HA LEU A 30 5.195 -4.750 3.250 1.00 21.42 H new ATOM 0 HB2 LEU A 30 4.427 -1.906 2.452 1.00 15.13 H new ATOM 0 HB3 LEU A 30 3.773 -3.352 1.707 1.00 15.13 H new ATOM 0 HG LEU A 30 3.469 -2.660 4.645 1.00 4.14 H new ATOM 0 HD11 LEU A 30 1.135 -2.073 4.087 1.00 53.30 H new ATOM 0 HD12 LEU A 30 2.301 -1.011 3.263 1.00 53.30 H new ATOM 0 HD13 LEU A 30 1.494 -2.316 2.361 1.00 53.30 H new ATOM 0 HD21 LEU A 30 1.718 -4.407 4.610 1.00 50.15 H new ATOM 0 HD22 LEU A 30 2.109 -4.753 2.909 1.00 50.15 H new ATOM 0 HD23 LEU A 30 3.316 -5.061 4.179 1.00 50.15 H new ATOM 475 N GLY A 31 7.686 -3.431 2.062 1.00 5.13 N ATOM 476 CA GLY A 31 8.669 -3.342 0.982 1.00 54.24 C ATOM 477 C GLY A 31 8.902 -4.668 0.256 1.00 4.43 C ATOM 478 O GLY A 31 9.327 -4.687 -0.900 1.00 51.23 O ATOM 0 H GLY A 31 8.062 -3.257 2.994 1.00 5.13 H new ATOM 0 HA2 GLY A 31 8.337 -2.596 0.260 1.00 54.24 H new ATOM 0 HA3 GLY A 31 9.616 -2.990 1.392 1.00 54.24 H new ATOM 482 N CYS A 32 8.606 -5.781 0.925 1.00 5.10 N ATOM 483 CA CYS A 32 8.840 -7.120 0.361 1.00 41.41 C ATOM 484 C CYS A 32 7.808 -7.489 -0.718 1.00 34.25 C ATOM 485 O CYS A 32 7.879 -8.571 -1.300 1.00 13.24 O ATOM 486 CB CYS A 32 8.827 -8.180 1.472 1.00 55.13 C ATOM 487 SG CYS A 32 9.267 -9.848 0.920 1.00 22.41 S ATOM 0 H CYS A 32 8.202 -5.787 1.862 1.00 5.10 H new ATOM 0 HA CYS A 32 9.821 -7.096 -0.113 1.00 41.41 H new ATOM 0 HB2 CYS A 32 9.520 -7.875 2.256 1.00 55.13 H new ATOM 0 HB3 CYS A 32 7.833 -8.209 1.919 1.00 55.13 H new ATOM 0 HG CYS A 32 8.673 -10.103 -0.208 1.00 22.41 H new ATOM 493 N ILE A 33 6.861 -6.587 -0.996 1.00 25.41 N ATOM 494 CA ILE A 33 5.823 -6.840 -2.010 1.00 52.55 C ATOM 495 C ILE A 33 6.415 -7.272 -3.364 1.00 62.04 C ATOM 496 O ILE A 33 5.758 -7.972 -4.136 1.00 71.41 O ATOM 497 CB ILE A 33 4.911 -5.607 -2.229 1.00 43.45 C ATOM 498 CG1 ILE A 33 5.755 -4.348 -2.501 1.00 62.20 C ATOM 499 CG2 ILE A 33 3.989 -5.409 -1.028 1.00 40.10 C ATOM 500 CD1 ILE A 33 4.936 -3.092 -2.727 1.00 72.13 C ATOM 0 H ILE A 33 6.789 -5.679 -0.538 1.00 25.41 H new ATOM 0 HA ILE A 33 5.225 -7.661 -1.613 1.00 52.55 H new ATOM 0 HB ILE A 33 4.289 -5.784 -3.106 1.00 43.45 H new ATOM 0 HG12 ILE A 33 6.427 -4.184 -1.658 1.00 62.20 H new ATOM 0 HG13 ILE A 33 6.380 -4.524 -3.377 1.00 62.20 H new ATOM 0 HG21 ILE A 33 3.354 -4.539 -1.196 1.00 40.10 H new ATOM 0 HG22 ILE A 33 3.365 -6.294 -0.898 1.00 40.10 H new ATOM 0 HG23 ILE A 33 4.588 -5.253 -0.131 1.00 40.10 H new ATOM 0 HD11 ILE A 33 5.604 -2.251 -2.912 1.00 72.13 H new ATOM 0 HD12 ILE A 33 4.283 -3.233 -3.589 1.00 72.13 H new ATOM 0 HD13 ILE A 33 4.331 -2.888 -1.843 1.00 72.13 H new ATOM 512 N GLY A 34 7.645 -6.849 -3.645 1.00 64.04 N ATOM 513 CA GLY A 34 8.335 -7.290 -4.852 1.00 52.53 C ATOM 514 C GLY A 34 8.739 -8.762 -4.793 1.00 74.42 C ATOM 515 O GLY A 34 8.451 -9.534 -5.709 1.00 45.11 O ATOM 0 H GLY A 34 8.179 -6.208 -3.059 1.00 64.04 H new ATOM 0 HA2 GLY A 34 7.689 -7.129 -5.715 1.00 52.53 H new ATOM 0 HA3 GLY A 34 9.225 -6.679 -5.001 1.00 52.53 H new ATOM 519 N CYS A 35 9.391 -9.156 -3.697 1.00 13.01 N ATOM 520 CA CYS A 35 9.857 -10.541 -3.519 1.00 21.45 C ATOM 521 C CYS A 35 8.687 -11.528 -3.355 1.00 55.13 C ATOM 522 O CYS A 35 8.691 -12.620 -3.931 1.00 22.10 O ATOM 523 CB CYS A 35 10.788 -10.643 -2.307 1.00 74.03 C ATOM 524 SG CYS A 35 11.453 -12.302 -2.025 1.00 24.50 S ATOM 0 H CYS A 35 9.610 -8.538 -2.916 1.00 13.01 H new ATOM 0 HA CYS A 35 10.402 -10.812 -4.423 1.00 21.45 H new ATOM 0 HB2 CYS A 35 11.617 -9.948 -2.440 1.00 74.03 H new ATOM 0 HB3 CYS A 35 10.245 -10.325 -1.417 1.00 74.03 H new ATOM 0 HG CYS A 35 12.229 -12.287 -0.982 1.00 24.50 H new ATOM 530 N MET A 36 7.684 -11.146 -2.564 1.00 22.42 N ATOM 531 CA MET A 36 6.499 -11.996 -2.358 1.00 64.11 C ATOM 532 C MET A 36 5.509 -11.898 -3.535 1.00 53.11 C ATOM 533 O MET A 36 4.458 -12.536 -3.523 1.00 32.05 O ATOM 534 CB MET A 36 5.791 -11.644 -1.036 1.00 43.40 C ATOM 535 CG MET A 36 5.199 -10.240 -0.993 1.00 40.42 C ATOM 536 SD MET A 36 4.356 -9.877 0.567 1.00 22.23 S ATOM 537 CE MET A 36 3.073 -11.133 0.565 1.00 20.01 C ATOM 0 H MET A 36 7.663 -10.261 -2.057 1.00 22.42 H new ATOM 0 HA MET A 36 6.851 -13.026 -2.304 1.00 64.11 H new ATOM 0 HB2 MET A 36 4.994 -12.367 -0.861 1.00 43.40 H new ATOM 0 HB3 MET A 36 6.503 -11.750 -0.217 1.00 43.40 H new ATOM 0 HG2 MET A 36 5.994 -9.511 -1.148 1.00 40.42 H new ATOM 0 HG3 MET A 36 4.494 -10.123 -1.816 1.00 40.42 H new ATOM 0 HE1 MET A 36 2.242 -10.805 1.189 1.00 20.01 H new ATOM 0 HE2 MET A 36 2.721 -11.292 -0.454 1.00 20.01 H new ATOM 0 HE3 MET A 36 3.476 -12.066 0.959 1.00 20.01 H new ATOM 547 N GLY A 37 5.855 -11.098 -4.546 1.00 11.22 N ATOM 548 CA GLY A 37 5.018 -10.966 -5.739 1.00 33.43 C ATOM 549 C GLY A 37 3.624 -10.407 -5.463 1.00 60.11 C ATOM 550 O GLY A 37 2.686 -10.673 -6.213 1.00 22.45 O ATOM 0 H GLY A 37 6.705 -10.535 -4.562 1.00 11.22 H new ATOM 0 HA2 GLY A 37 5.523 -10.317 -6.454 1.00 33.43 H new ATOM 0 HA3 GLY A 37 4.919 -11.944 -6.210 1.00 33.43 H new ATOM 554 N ALA A 38 3.496 -9.595 -4.415 1.00 54.02 N ATOM 555 CA ALA A 38 2.194 -9.038 -4.010 1.00 75.13 C ATOM 556 C ALA A 38 1.768 -7.846 -4.890 1.00 24.05 C ATOM 557 O ALA A 38 0.880 -7.080 -4.525 1.00 32.14 O ATOM 558 CB ALA A 38 2.238 -8.622 -2.542 1.00 73.11 C ATOM 0 H ALA A 38 4.276 -9.304 -3.826 1.00 54.02 H new ATOM 0 HA ALA A 38 1.448 -9.821 -4.146 1.00 75.13 H new ATOM 0 HB1 ALA A 38 1.271 -8.211 -2.251 1.00 73.11 H new ATOM 0 HB2 ALA A 38 2.464 -9.491 -1.924 1.00 73.11 H new ATOM 0 HB3 ALA A 38 3.011 -7.866 -2.401 1.00 73.11 H new ATOM 564 N GLN A 39 2.390 -7.708 -6.058 1.00 54.02 N ATOM 565 CA GLN A 39 2.070 -6.614 -6.985 1.00 64.31 C ATOM 566 C GLN A 39 0.633 -6.733 -7.527 1.00 52.12 C ATOM 567 O GLN A 39 0.001 -5.732 -7.861 1.00 55.43 O ATOM 568 CB GLN A 39 3.074 -6.599 -8.148 1.00 15.32 C ATOM 569 CG GLN A 39 4.528 -6.436 -7.709 1.00 74.40 C ATOM 570 CD GLN A 39 4.777 -5.131 -6.967 1.00 72.03 C ATOM 571 OE1 GLN A 39 5.095 -4.111 -7.567 1.00 70.01 O ATOM 572 NE2 GLN A 39 4.638 -5.151 -5.656 1.00 13.32 N ATOM 0 H GLN A 39 3.120 -8.338 -6.390 1.00 54.02 H new ATOM 0 HA GLN A 39 2.141 -5.677 -6.433 1.00 64.31 H new ATOM 0 HB2 GLN A 39 2.977 -7.527 -8.711 1.00 15.32 H new ATOM 0 HB3 GLN A 39 2.816 -5.786 -8.827 1.00 15.32 H new ATOM 0 HG2 GLN A 39 4.805 -7.272 -7.067 1.00 74.40 H new ATOM 0 HG3 GLN A 39 5.174 -6.479 -8.586 1.00 74.40 H new ATOM 0 HE21 GLN A 39 4.372 -6.016 -5.184 1.00 13.32 H new ATOM 0 HE22 GLN A 39 4.796 -4.302 -5.113 1.00 13.32 H new ATOM 581 N ASN A 40 0.124 -7.962 -7.594 1.00 15.53 N ATOM 582 CA ASN A 40 -1.235 -8.224 -8.089 1.00 1.10 C ATOM 583 C ASN A 40 -2.263 -8.228 -6.944 1.00 15.22 C ATOM 584 O ASN A 40 -3.471 -8.287 -7.179 1.00 44.20 O ATOM 585 CB ASN A 40 -1.269 -9.573 -8.817 1.00 42.43 C ATOM 586 CG ASN A 40 -0.342 -9.607 -10.021 1.00 12.35 C ATOM 587 OD1 ASN A 40 -0.136 -8.602 -10.693 1.00 72.42 O ATOM 588 ND2 ASN A 40 0.243 -10.757 -10.293 1.00 1.00 N ATOM 0 H ASN A 40 0.632 -8.800 -7.311 1.00 15.53 H new ATOM 0 HA ASN A 40 -1.502 -7.423 -8.778 1.00 1.10 H new ATOM 0 HB2 ASN A 40 -0.987 -10.364 -8.123 1.00 42.43 H new ATOM 0 HB3 ASN A 40 -2.288 -9.782 -9.141 1.00 42.43 H new ATOM 0 HD21 ASN A 40 0.887 -10.828 -11.081 1.00 1.00 H new ATOM 0 HD22 ASN A 40 0.052 -11.576 -9.716 1.00 1.00 H new ATOM 595 N GLU A 41 -1.775 -8.160 -5.709 1.00 44.55 N ATOM 596 CA GLU A 41 -2.633 -8.236 -4.523 1.00 75.30 C ATOM 597 C GLU A 41 -3.054 -6.836 -4.036 1.00 44.42 C ATOM 598 O GLU A 41 -2.318 -5.859 -4.198 1.00 42.22 O ATOM 599 CB GLU A 41 -1.899 -9.011 -3.418 1.00 4.24 C ATOM 600 CG GLU A 41 -2.666 -9.126 -2.106 1.00 63.11 C ATOM 601 CD GLU A 41 -2.152 -10.256 -1.228 1.00 42.31 C ATOM 602 OE1 GLU A 41 -1.017 -10.159 -0.720 1.00 45.32 O ATOM 603 OE2 GLU A 41 -2.880 -11.258 -1.056 1.00 60.22 O ATOM 0 H GLU A 41 -0.783 -8.052 -5.499 1.00 44.55 H new ATOM 0 HA GLU A 41 -3.549 -8.765 -4.785 1.00 75.30 H new ATOM 0 HB2 GLU A 41 -1.676 -10.014 -3.782 1.00 4.24 H new ATOM 0 HB3 GLU A 41 -0.944 -8.523 -3.224 1.00 4.24 H new ATOM 0 HG2 GLU A 41 -2.591 -8.185 -1.562 1.00 63.11 H new ATOM 0 HG3 GLU A 41 -3.723 -9.288 -2.320 1.00 63.11 H new ATOM 610 N SER A 42 -4.251 -6.743 -3.452 1.00 41.11 N ATOM 611 CA SER A 42 -4.797 -5.456 -2.991 1.00 64.23 C ATOM 612 C SER A 42 -4.149 -5.000 -1.678 1.00 12.13 C ATOM 613 O SER A 42 -3.664 -5.819 -0.892 1.00 2.53 O ATOM 614 CB SER A 42 -6.313 -5.550 -2.797 1.00 13.12 C ATOM 615 OG SER A 42 -6.642 -6.405 -1.716 1.00 12.24 O ATOM 0 H SER A 42 -4.864 -7.541 -3.285 1.00 41.11 H new ATOM 0 HA SER A 42 -4.570 -4.720 -3.763 1.00 64.23 H new ATOM 0 HB2 SER A 42 -6.721 -4.556 -2.614 1.00 13.12 H new ATOM 0 HB3 SER A 42 -6.776 -5.921 -3.711 1.00 13.12 H new ATOM 0 HG SER A 42 -7.597 -6.322 -1.512 1.00 12.24 H new ATOM 621 N LEU A 43 -4.159 -3.687 -1.439 1.00 23.21 N ATOM 622 CA LEU A 43 -3.582 -3.108 -0.216 1.00 12.13 C ATOM 623 C LEU A 43 -4.165 -3.754 1.053 1.00 1.00 C ATOM 624 O LEU A 43 -3.443 -4.024 2.014 1.00 2.55 O ATOM 625 CB LEU A 43 -3.820 -1.588 -0.183 1.00 32.24 C ATOM 626 CG LEU A 43 -3.202 -0.795 -1.350 1.00 13.45 C ATOM 627 CD1 LEU A 43 -3.508 0.695 -1.216 1.00 14.23 C ATOM 628 CD2 LEU A 43 -1.693 -1.028 -1.433 1.00 41.21 C ATOM 0 H LEU A 43 -4.561 -3.000 -2.076 1.00 23.21 H new ATOM 0 HA LEU A 43 -2.511 -3.310 -0.233 1.00 12.13 H new ATOM 0 HB2 LEU A 43 -4.895 -1.406 -0.172 1.00 32.24 H new ATOM 0 HB3 LEU A 43 -3.421 -1.195 0.752 1.00 32.24 H new ATOM 0 HG LEU A 43 -3.652 -1.156 -2.275 1.00 13.45 H new ATOM 0 HD11 LEU A 43 -3.062 1.235 -2.051 1.00 14.23 H new ATOM 0 HD12 LEU A 43 -4.587 0.847 -1.221 1.00 14.23 H new ATOM 0 HD13 LEU A 43 -3.094 1.069 -0.280 1.00 14.23 H new ATOM 0 HD21 LEU A 43 -1.282 -0.457 -2.265 1.00 41.21 H new ATOM 0 HD22 LEU A 43 -1.223 -0.705 -0.504 1.00 41.21 H new ATOM 0 HD23 LEU A 43 -1.497 -2.089 -1.589 1.00 41.21 H new ATOM 640 N GLU A 44 -5.474 -4.002 1.046 1.00 35.25 N ATOM 641 CA GLU A 44 -6.150 -4.619 2.192 1.00 14.40 C ATOM 642 C GLU A 44 -5.671 -6.058 2.434 1.00 3.14 C ATOM 643 O GLU A 44 -5.323 -6.421 3.560 1.00 12.51 O ATOM 644 CB GLU A 44 -7.668 -4.601 1.983 1.00 12.20 C ATOM 645 CG GLU A 44 -8.458 -5.294 3.091 1.00 12.11 C ATOM 646 CD GLU A 44 -9.962 -5.207 2.881 1.00 2.01 C ATOM 647 OE1 GLU A 44 -10.458 -5.748 1.868 1.00 53.45 O ATOM 648 OE2 GLU A 44 -10.654 -4.590 3.718 1.00 24.42 O ATOM 0 H GLU A 44 -6.089 -3.786 0.261 1.00 35.25 H new ATOM 0 HA GLU A 44 -5.897 -4.033 3.075 1.00 14.40 H new ATOM 0 HB2 GLU A 44 -8.001 -3.566 1.907 1.00 12.20 H new ATOM 0 HB3 GLU A 44 -7.899 -5.081 1.032 1.00 12.20 H new ATOM 0 HG2 GLU A 44 -8.162 -6.342 3.142 1.00 12.11 H new ATOM 0 HG3 GLU A 44 -8.202 -4.844 4.050 1.00 12.11 H new ATOM 655 N GLN A 45 -5.651 -6.874 1.382 1.00 40.24 N ATOM 656 CA GLN A 45 -5.210 -8.269 1.502 1.00 3.25 C ATOM 657 C GLN A 45 -3.752 -8.348 1.984 1.00 51.24 C ATOM 658 O GLN A 45 -3.423 -9.126 2.886 1.00 42.03 O ATOM 659 CB GLN A 45 -5.373 -9.000 0.164 1.00 34.13 C ATOM 660 CG GLN A 45 -6.821 -9.116 -0.301 1.00 21.13 C ATOM 661 CD GLN A 45 -6.956 -9.802 -1.650 1.00 73.53 C ATOM 662 OE1 GLN A 45 -6.154 -10.658 -2.012 1.00 42.42 O ATOM 663 NE2 GLN A 45 -7.974 -9.440 -2.402 1.00 42.30 N ATOM 0 H GLN A 45 -5.932 -6.599 0.441 1.00 40.24 H new ATOM 0 HA GLN A 45 -5.838 -8.759 2.246 1.00 3.25 H new ATOM 0 HB2 GLN A 45 -4.797 -8.476 -0.599 1.00 34.13 H new ATOM 0 HB3 GLN A 45 -4.948 -10.000 0.253 1.00 34.13 H new ATOM 0 HG2 GLN A 45 -7.393 -9.672 0.442 1.00 21.13 H new ATOM 0 HG3 GLN A 45 -7.259 -8.120 -0.360 1.00 21.13 H new ATOM 0 HE21 GLN A 45 -8.623 -8.725 -2.072 1.00 42.30 H new ATOM 0 HE22 GLN A 45 -8.114 -9.874 -3.314 1.00 42.30 H new ATOM 672 N GLY A 46 -2.888 -7.524 1.391 1.00 32.30 N ATOM 673 CA GLY A 46 -1.502 -7.443 1.831 1.00 34.21 C ATOM 674 C GLY A 46 -1.372 -6.964 3.277 1.00 24.34 C ATOM 675 O GLY A 46 -0.502 -7.428 4.018 1.00 33.03 O ATOM 0 H GLY A 46 -3.124 -6.910 0.612 1.00 32.30 H new ATOM 0 HA2 GLY A 46 -1.036 -8.423 1.733 1.00 34.21 H new ATOM 0 HA3 GLY A 46 -0.956 -6.764 1.176 1.00 34.21 H new ATOM 679 N ALA A 47 -2.245 -6.037 3.680 1.00 0.33 N ATOM 680 CA ALA A 47 -2.281 -5.557 5.064 1.00 72.34 C ATOM 681 C ALA A 47 -2.571 -6.705 6.042 1.00 3.03 C ATOM 682 O ALA A 47 -1.816 -6.933 6.986 1.00 2.21 O ATOM 683 CB ALA A 47 -3.319 -4.450 5.224 1.00 74.14 C ATOM 0 H ALA A 47 -2.936 -5.604 3.068 1.00 0.33 H new ATOM 0 HA ALA A 47 -1.298 -5.150 5.300 1.00 72.34 H new ATOM 0 HB1 ALA A 47 -3.329 -4.108 6.259 1.00 74.14 H new ATOM 0 HB2 ALA A 47 -3.066 -3.616 4.569 1.00 74.14 H new ATOM 0 HB3 ALA A 47 -4.304 -4.834 4.959 1.00 74.14 H new ATOM 689 N ASN A 48 -3.664 -7.434 5.798 1.00 70.55 N ATOM 690 CA ASN A 48 -4.013 -8.602 6.620 1.00 4.02 C ATOM 691 C ASN A 48 -2.862 -9.621 6.658 1.00 55.51 C ATOM 692 O ASN A 48 -2.556 -10.185 7.709 1.00 13.05 O ATOM 693 CB ASN A 48 -5.288 -9.283 6.098 1.00 63.42 C ATOM 694 CG ASN A 48 -6.546 -8.464 6.335 1.00 72.44 C ATOM 695 OD1 ASN A 48 -7.171 -8.548 7.389 1.00 75.41 O ATOM 696 ND2 ASN A 48 -6.942 -7.680 5.354 1.00 11.42 N ATOM 0 H ASN A 48 -4.321 -7.239 5.042 1.00 70.55 H new ATOM 0 HA ASN A 48 -4.194 -8.241 7.633 1.00 4.02 H new ATOM 0 HB2 ASN A 48 -5.180 -9.470 5.030 1.00 63.42 H new ATOM 0 HB3 ASN A 48 -5.398 -10.253 6.582 1.00 63.42 H new ATOM 0 HD21 ASN A 48 -7.789 -7.121 5.458 1.00 11.42 H new ATOM 0 HD22 ASN A 48 -6.402 -7.631 4.490 1.00 11.42 H new ATOM 703 N ALA A 49 -2.226 -9.849 5.508 1.00 10.12 N ATOM 704 CA ALA A 49 -1.088 -10.772 5.417 1.00 11.32 C ATOM 705 C ALA A 49 0.094 -10.312 6.287 1.00 61.21 C ATOM 706 O ALA A 49 0.726 -11.113 6.971 1.00 53.22 O ATOM 707 CB ALA A 49 -0.650 -10.914 3.961 1.00 2.12 C ATOM 0 H ALA A 49 -2.478 -9.407 4.624 1.00 10.12 H new ATOM 0 HA ALA A 49 -1.413 -11.741 5.795 1.00 11.32 H new ATOM 0 HB1 ALA A 49 0.195 -11.600 3.900 1.00 2.12 H new ATOM 0 HB2 ALA A 49 -1.478 -11.304 3.368 1.00 2.12 H new ATOM 0 HB3 ALA A 49 -0.354 -9.939 3.573 1.00 2.12 H new ATOM 713 N HIS A 50 0.383 -9.012 6.265 1.00 2.44 N ATOM 714 CA HIS A 50 1.505 -8.453 7.035 1.00 25.31 C ATOM 715 C HIS A 50 1.081 -8.004 8.448 1.00 4.23 C ATOM 716 O HIS A 50 1.867 -7.389 9.171 1.00 33.01 O ATOM 717 CB HIS A 50 2.131 -7.274 6.276 1.00 13.23 C ATOM 718 CG HIS A 50 2.884 -7.671 5.039 1.00 55.20 C ATOM 719 ND1 HIS A 50 4.232 -7.445 4.878 1.00 3.13 N ATOM 720 CD2 HIS A 50 2.471 -8.267 3.895 1.00 51.14 C ATOM 721 CE1 HIS A 50 4.616 -7.881 3.696 1.00 24.11 C ATOM 722 NE2 HIS A 50 3.568 -8.386 3.077 1.00 35.20 N ATOM 0 H HIS A 50 -0.140 -8.323 5.725 1.00 2.44 H new ATOM 0 HA HIS A 50 2.242 -9.247 7.154 1.00 25.31 H new ATOM 0 HB2 HIS A 50 1.342 -6.574 5.999 1.00 13.23 H new ATOM 0 HB3 HIS A 50 2.808 -6.743 6.946 1.00 13.23 H new ATOM 0 HD2 HIS A 50 1.465 -8.589 3.668 1.00 51.14 H new ATOM 0 HE1 HIS A 50 5.620 -7.833 3.301 1.00 24.11 H new ATOM 0 HE2 HIS A 50 3.571 -8.798 2.144 1.00 35.20 H new ATOM 731 N GLY A 51 -0.157 -8.314 8.837 1.00 25.32 N ATOM 732 CA GLY A 51 -0.652 -7.951 10.167 1.00 3.43 C ATOM 733 C GLY A 51 -0.728 -6.442 10.402 1.00 64.02 C ATOM 734 O GLY A 51 -0.228 -5.933 11.407 1.00 24.11 O ATOM 0 H GLY A 51 -0.831 -8.812 8.255 1.00 25.32 H new ATOM 0 HA2 GLY A 51 -1.643 -8.382 10.307 1.00 3.43 H new ATOM 0 HA3 GLY A 51 -0.002 -8.395 10.921 1.00 3.43 H new ATOM 738 N LEU A 52 -1.364 -5.726 9.478 1.00 72.03 N ATOM 739 CA LEU A 52 -1.474 -4.261 9.556 1.00 71.34 C ATOM 740 C LEU A 52 -2.932 -3.794 9.440 1.00 50.44 C ATOM 741 O LEU A 52 -3.831 -4.582 9.139 1.00 1.34 O ATOM 742 CB LEU A 52 -0.653 -3.617 8.432 1.00 2.40 C ATOM 743 CG LEU A 52 0.849 -3.938 8.437 1.00 3.13 C ATOM 744 CD1 LEU A 52 1.520 -3.364 7.194 1.00 2.32 C ATOM 745 CD2 LEU A 52 1.512 -3.406 9.707 1.00 33.04 C ATOM 0 H LEU A 52 -1.815 -6.134 8.660 1.00 72.03 H new ATOM 0 HA LEU A 52 -1.090 -3.954 10.529 1.00 71.34 H new ATOM 0 HB2 LEU A 52 -1.070 -3.933 7.476 1.00 2.40 H new ATOM 0 HB3 LEU A 52 -0.775 -2.535 8.492 1.00 2.40 H new ATOM 0 HG LEU A 52 0.970 -5.021 8.422 1.00 3.13 H new ATOM 0 HD11 LEU A 52 2.584 -3.600 7.213 1.00 2.32 H new ATOM 0 HD12 LEU A 52 1.068 -3.799 6.303 1.00 2.32 H new ATOM 0 HD13 LEU A 52 1.389 -2.282 7.177 1.00 2.32 H new ATOM 0 HD21 LEU A 52 2.575 -3.644 9.690 1.00 33.04 H new ATOM 0 HD22 LEU A 52 1.383 -2.325 9.759 1.00 33.04 H new ATOM 0 HD23 LEU A 52 1.051 -3.869 10.579 1.00 33.04 H new ATOM 757 N ASN A 53 -3.153 -2.502 9.674 1.00 31.44 N ATOM 758 CA ASN A 53 -4.475 -1.890 9.498 1.00 32.44 C ATOM 759 C ASN A 53 -4.534 -1.128 8.166 1.00 54.42 C ATOM 760 O ASN A 53 -3.899 -0.083 8.010 1.00 3.44 O ATOM 761 CB ASN A 53 -4.788 -0.929 10.657 1.00 72.53 C ATOM 762 CG ASN A 53 -6.207 -0.380 10.605 1.00 2.23 C ATOM 763 OD1 ASN A 53 -6.824 -0.312 9.548 1.00 31.34 O ATOM 764 ND2 ASN A 53 -6.723 0.046 11.737 1.00 3.11 N ATOM 0 H ASN A 53 -2.431 -1.853 9.988 1.00 31.44 H new ATOM 0 HA ASN A 53 -5.220 -2.686 9.491 1.00 32.44 H new ATOM 0 HB2 ASN A 53 -4.639 -1.449 11.603 1.00 72.53 H new ATOM 0 HB3 ASN A 53 -4.082 -0.099 10.635 1.00 72.53 H new ATOM 0 HD21 ASN A 53 -7.661 0.446 11.751 1.00 3.11 H new ATOM 0 HD22 ASN A 53 -6.185 -0.024 12.601 1.00 3.11 H new ATOM 771 N VAL A 54 -5.309 -1.644 7.214 1.00 73.44 N ATOM 772 CA VAL A 54 -5.431 -1.009 5.898 1.00 3.44 C ATOM 773 C VAL A 54 -5.918 0.450 6.008 1.00 60.12 C ATOM 774 O VAL A 54 -5.471 1.316 5.261 1.00 31.12 O ATOM 775 CB VAL A 54 -6.376 -1.810 4.966 1.00 22.42 C ATOM 776 CG1 VAL A 54 -7.790 -1.891 5.539 1.00 20.52 C ATOM 777 CG2 VAL A 54 -6.385 -1.213 3.560 1.00 34.22 C ATOM 0 H VAL A 54 -5.860 -2.495 7.325 1.00 73.44 H new ATOM 0 HA VAL A 54 -4.432 -1.005 5.462 1.00 3.44 H new ATOM 0 HB VAL A 54 -5.993 -2.828 4.900 1.00 22.42 H new ATOM 0 HG11 VAL A 54 -8.426 -2.459 4.860 1.00 20.52 H new ATOM 0 HG12 VAL A 54 -7.761 -2.386 6.510 1.00 20.52 H new ATOM 0 HG13 VAL A 54 -8.193 -0.885 5.657 1.00 20.52 H new ATOM 0 HG21 VAL A 54 -7.055 -1.791 2.923 1.00 34.22 H new ATOM 0 HG22 VAL A 54 -6.730 -0.180 3.606 1.00 34.22 H new ATOM 0 HG23 VAL A 54 -5.377 -1.241 3.146 1.00 34.22 H new ATOM 787 N GLU A 55 -6.809 0.717 6.961 1.00 60.45 N ATOM 788 CA GLU A 55 -7.350 2.068 7.165 1.00 33.21 C ATOM 789 C GLU A 55 -6.249 3.059 7.580 1.00 2.30 C ATOM 790 O GLU A 55 -6.246 4.219 7.159 1.00 13.20 O ATOM 791 CB GLU A 55 -8.461 2.032 8.227 1.00 33.11 C ATOM 792 CG GLU A 55 -9.681 1.218 7.806 1.00 13.21 C ATOM 793 CD GLU A 55 -10.777 1.201 8.862 1.00 65.51 C ATOM 794 OE1 GLU A 55 -11.523 2.202 8.967 1.00 33.23 O ATOM 795 OE2 GLU A 55 -10.905 0.189 9.582 1.00 64.41 O ATOM 0 H GLU A 55 -7.175 0.018 7.607 1.00 60.45 H new ATOM 0 HA GLU A 55 -7.766 2.412 6.218 1.00 33.21 H new ATOM 0 HB2 GLU A 55 -8.057 1.615 9.150 1.00 33.11 H new ATOM 0 HB3 GLU A 55 -8.774 3.052 8.448 1.00 33.11 H new ATOM 0 HG2 GLU A 55 -10.083 1.628 6.880 1.00 13.21 H new ATOM 0 HG3 GLU A 55 -9.372 0.194 7.594 1.00 13.21 H new ATOM 802 N ASP A 56 -5.308 2.591 8.396 1.00 45.40 N ATOM 803 CA ASP A 56 -4.200 3.432 8.855 1.00 62.41 C ATOM 804 C ASP A 56 -3.168 3.637 7.732 1.00 14.15 C ATOM 805 O ASP A 56 -2.611 4.728 7.568 1.00 73.25 O ATOM 806 CB ASP A 56 -3.537 2.804 10.085 1.00 50.43 C ATOM 807 CG ASP A 56 -2.779 3.826 10.911 1.00 31.31 C ATOM 808 OD1 ASP A 56 -1.650 4.194 10.529 1.00 71.51 O ATOM 809 OD2 ASP A 56 -3.318 4.277 11.941 1.00 51.14 O ATOM 0 H ASP A 56 -5.288 1.636 8.754 1.00 45.40 H new ATOM 0 HA ASP A 56 -4.598 4.408 9.131 1.00 62.41 H new ATOM 0 HB2 ASP A 56 -4.299 2.331 10.705 1.00 50.43 H new ATOM 0 HB3 ASP A 56 -2.853 2.018 9.765 1.00 50.43 H new ATOM 814 N ILE A 57 -2.921 2.582 6.954 1.00 42.23 N ATOM 815 CA ILE A 57 -2.041 2.674 5.787 1.00 72.34 C ATOM 816 C ILE A 57 -2.601 3.681 4.768 1.00 24.11 C ATOM 817 O ILE A 57 -1.895 4.586 4.316 1.00 64.41 O ATOM 818 CB ILE A 57 -1.860 1.295 5.104 1.00 71.44 C ATOM 819 CG1 ILE A 57 -1.304 0.263 6.104 1.00 4.23 C ATOM 820 CG2 ILE A 57 -0.946 1.415 3.881 1.00 65.41 C ATOM 821 CD1 ILE A 57 -1.176 -1.137 5.535 1.00 55.21 C ATOM 0 H ILE A 57 -3.317 1.655 7.110 1.00 42.23 H new ATOM 0 HA ILE A 57 -1.068 3.016 6.139 1.00 72.34 H new ATOM 0 HB ILE A 57 -2.836 0.948 4.766 1.00 71.44 H new ATOM 0 HG12 ILE A 57 -0.325 0.596 6.448 1.00 4.23 H new ATOM 0 HG13 ILE A 57 -1.955 0.231 6.978 1.00 4.23 H new ATOM 0 HG21 ILE A 57 -0.831 0.436 3.415 1.00 65.41 H new ATOM 0 HG22 ILE A 57 -1.386 2.109 3.165 1.00 65.41 H new ATOM 0 HG23 ILE A 57 0.031 1.786 4.192 1.00 65.41 H new ATOM 0 HD11 ILE A 57 -0.778 -1.805 6.299 1.00 55.21 H new ATOM 0 HD12 ILE A 57 -2.157 -1.492 5.218 1.00 55.21 H new ATOM 0 HD13 ILE A 57 -0.501 -1.122 4.679 1.00 55.21 H new ATOM 833 N LEU A 58 -3.882 3.529 4.429 1.00 50.11 N ATOM 834 CA LEU A 58 -4.560 4.457 3.516 1.00 0.22 C ATOM 835 C LEU A 58 -4.515 5.895 4.047 1.00 42.10 C ATOM 836 O LEU A 58 -4.434 6.846 3.271 1.00 62.43 O ATOM 837 CB LEU A 58 -6.018 4.031 3.298 1.00 5.41 C ATOM 838 CG LEU A 58 -6.208 2.655 2.643 1.00 31.35 C ATOM 839 CD1 LEU A 58 -7.692 2.346 2.462 1.00 53.44 C ATOM 840 CD2 LEU A 58 -5.464 2.582 1.309 1.00 41.23 C ATOM 0 H LEU A 58 -4.473 2.772 4.772 1.00 50.11 H new ATOM 0 HA LEU A 58 -4.031 4.425 2.564 1.00 0.22 H new ATOM 0 HB2 LEU A 58 -6.527 4.030 4.262 1.00 5.41 H new ATOM 0 HB3 LEU A 58 -6.510 4.781 2.679 1.00 5.41 H new ATOM 0 HG LEU A 58 -5.784 1.899 3.304 1.00 31.35 H new ATOM 0 HD11 LEU A 58 -7.806 1.367 1.996 1.00 53.44 H new ATOM 0 HD12 LEU A 58 -8.185 2.345 3.434 1.00 53.44 H new ATOM 0 HD13 LEU A 58 -8.147 3.105 1.826 1.00 53.44 H new ATOM 0 HD21 LEU A 58 -5.613 1.599 0.863 1.00 41.23 H new ATOM 0 HD22 LEU A 58 -5.849 3.348 0.635 1.00 41.23 H new ATOM 0 HD23 LEU A 58 -4.400 2.747 1.476 1.00 41.23 H new ATOM 852 N ARG A 59 -4.570 6.046 5.370 1.00 10.33 N ATOM 853 CA ARG A 59 -4.453 7.364 6.008 1.00 72.34 C ATOM 854 C ARG A 59 -3.161 8.076 5.570 1.00 43.24 C ATOM 855 O ARG A 59 -3.185 9.232 5.146 1.00 75.02 O ATOM 856 CB ARG A 59 -4.479 7.213 7.538 1.00 64.31 C ATOM 857 CG ARG A 59 -4.262 8.521 8.296 1.00 43.01 C ATOM 858 CD ARG A 59 -4.237 8.312 9.809 1.00 31.22 C ATOM 859 NE ARG A 59 -3.147 7.429 10.236 1.00 21.30 N ATOM 860 CZ ARG A 59 -2.491 7.558 11.361 1.00 61.44 C ATOM 861 NH1 ARG A 59 -2.765 8.519 12.185 1.00 25.33 N ATOM 862 NH2 ARG A 59 -1.557 6.718 11.659 1.00 61.44 N ATOM 0 H ARG A 59 -4.695 5.273 6.024 1.00 10.33 H new ATOM 0 HA ARG A 59 -5.301 7.972 5.693 1.00 72.34 H new ATOM 0 HB2 ARG A 59 -5.438 6.788 7.834 1.00 64.31 H new ATOM 0 HB3 ARG A 59 -3.709 6.501 7.835 1.00 64.31 H new ATOM 0 HG2 ARG A 59 -3.322 8.972 7.977 1.00 43.01 H new ATOM 0 HG3 ARG A 59 -5.056 9.223 8.041 1.00 43.01 H new ATOM 0 HD2 ARG A 59 -4.133 9.277 10.304 1.00 31.22 H new ATOM 0 HD3 ARG A 59 -5.189 7.890 10.130 1.00 31.22 H new ATOM 0 HE ARG A 59 -2.883 6.664 9.615 1.00 21.30 H new ATOM 0 HH11 ARG A 59 -3.501 9.189 11.961 1.00 25.33 H new ATOM 0 HH12 ARG A 59 -2.245 8.606 13.058 1.00 25.33 H new ATOM 0 HH21 ARG A 59 -1.332 5.957 11.018 1.00 61.44 H new ATOM 0 HH22 ARG A 59 -1.044 6.816 12.535 1.00 61.44 H new ATOM 876 N ASP A 60 -2.040 7.366 5.661 1.00 32.02 N ATOM 877 CA ASP A 60 -0.737 7.928 5.293 1.00 33.25 C ATOM 878 C ASP A 60 -0.637 8.148 3.769 1.00 21.23 C ATOM 879 O ASP A 60 -0.116 9.166 3.306 1.00 14.30 O ATOM 880 CB ASP A 60 0.382 6.995 5.776 1.00 54.25 C ATOM 881 CG ASP A 60 1.693 7.730 6.009 1.00 23.02 C ATOM 882 OD1 ASP A 60 2.413 8.012 5.032 1.00 23.42 O ATOM 883 OD2 ASP A 60 2.008 8.037 7.182 1.00 50.13 O ATOM 0 H ASP A 60 -2.004 6.400 5.986 1.00 32.02 H new ATOM 0 HA ASP A 60 -0.628 8.899 5.776 1.00 33.25 H new ATOM 0 HB2 ASP A 60 0.072 6.510 6.701 1.00 54.25 H new ATOM 0 HB3 ASP A 60 0.537 6.207 5.039 1.00 54.25 H new ATOM 888 N LEU A 61 -1.162 7.191 3.000 1.00 73.13 N ATOM 889 CA LEU A 61 -1.143 7.262 1.531 1.00 63.24 C ATOM 890 C LEU A 61 -1.943 8.465 0.997 1.00 5.31 C ATOM 891 O LEU A 61 -1.434 9.253 0.202 1.00 55.22 O ATOM 892 CB LEU A 61 -1.695 5.959 0.934 1.00 5.32 C ATOM 893 CG LEU A 61 -0.850 4.701 1.199 1.00 34.24 C ATOM 894 CD1 LEU A 61 -1.528 3.459 0.627 1.00 23.20 C ATOM 895 CD2 LEU A 61 0.553 4.864 0.618 1.00 75.22 C ATOM 0 H LEU A 61 -1.609 6.352 3.370 1.00 73.13 H new ATOM 0 HA LEU A 61 -0.106 7.396 1.225 1.00 63.24 H new ATOM 0 HB2 LEU A 61 -2.697 5.793 1.331 1.00 5.32 H new ATOM 0 HB3 LEU A 61 -1.796 6.087 -0.144 1.00 5.32 H new ATOM 0 HG LEU A 61 -0.763 4.572 2.278 1.00 34.24 H new ATOM 0 HD11 LEU A 61 -0.911 2.583 0.827 1.00 23.20 H new ATOM 0 HD12 LEU A 61 -2.504 3.330 1.094 1.00 23.20 H new ATOM 0 HD13 LEU A 61 -1.653 3.576 -0.449 1.00 23.20 H new ATOM 0 HD21 LEU A 61 1.135 3.964 0.816 1.00 75.22 H new ATOM 0 HD22 LEU A 61 0.485 5.023 -0.458 1.00 75.22 H new ATOM 0 HD23 LEU A 61 1.041 5.721 1.081 1.00 75.22 H new ATOM 907 N ASN A 62 -3.195 8.610 1.436 1.00 43.55 N ATOM 908 CA ASN A 62 -4.031 9.742 1.006 1.00 55.43 C ATOM 909 C ASN A 62 -3.490 11.076 1.550 1.00 45.43 C ATOM 910 O ASN A 62 -3.717 12.137 0.961 1.00 30.13 O ATOM 911 CB ASN A 62 -5.495 9.543 1.425 1.00 34.11 C ATOM 912 CG ASN A 62 -6.188 8.447 0.625 1.00 20.44 C ATOM 913 OD1 ASN A 62 -6.702 8.687 -0.462 1.00 24.11 O ATOM 914 ND2 ASN A 62 -6.223 7.243 1.158 1.00 21.35 N ATOM 0 H ASN A 62 -3.652 7.967 2.082 1.00 43.55 H new ATOM 0 HA ASN A 62 -3.991 9.780 -0.083 1.00 55.43 H new ATOM 0 HB2 ASN A 62 -5.535 9.295 2.486 1.00 34.11 H new ATOM 0 HB3 ASN A 62 -6.037 10.480 1.296 1.00 34.11 H new ATOM 0 HD21 ASN A 62 -6.687 6.480 0.665 1.00 21.35 H new ATOM 0 HD22 ASN A 62 -5.786 7.074 2.064 1.00 21.35 H new ATOM 921 N ALA A 63 -2.767 11.020 2.670 1.00 43.23 N ATOM 922 CA ALA A 63 -2.106 12.205 3.224 1.00 13.12 C ATOM 923 C ALA A 63 -1.099 12.801 2.223 1.00 34.14 C ATOM 924 O ALA A 63 -0.822 13.997 2.249 1.00 32.54 O ATOM 925 CB ALA A 63 -1.413 11.861 4.540 1.00 2.43 C ATOM 0 H ALA A 63 -2.624 10.168 3.212 1.00 43.23 H new ATOM 0 HA ALA A 63 -2.870 12.958 3.417 1.00 13.12 H new ATOM 0 HB1 ALA A 63 -0.927 12.751 4.939 1.00 2.43 H new ATOM 0 HB2 ALA A 63 -2.151 11.499 5.256 1.00 2.43 H new ATOM 0 HB3 ALA A 63 -0.666 11.087 4.366 1.00 2.43 H new ATOM 931 N LEU A 64 -0.571 11.960 1.330 1.00 4.42 N ATOM 932 CA LEU A 64 0.350 12.416 0.276 1.00 2.53 C ATOM 933 C LEU A 64 -0.358 13.346 -0.730 1.00 31.31 C ATOM 934 O LEU A 64 0.274 14.182 -1.377 1.00 24.45 O ATOM 935 CB LEU A 64 0.942 11.210 -0.472 1.00 21.32 C ATOM 936 CG LEU A 64 1.695 10.187 0.397 1.00 72.35 C ATOM 937 CD1 LEU A 64 2.153 8.998 -0.445 1.00 11.21 C ATOM 938 CD2 LEU A 64 2.882 10.842 1.095 1.00 73.51 C ATOM 0 H LEU A 64 -0.763 10.958 1.313 1.00 4.42 H new ATOM 0 HA LEU A 64 1.150 12.977 0.759 1.00 2.53 H new ATOM 0 HB2 LEU A 64 0.133 10.694 -0.989 1.00 21.32 H new ATOM 0 HB3 LEU A 64 1.624 11.580 -1.237 1.00 21.32 H new ATOM 0 HG LEU A 64 1.011 9.820 1.162 1.00 72.35 H new ATOM 0 HD11 LEU A 64 2.683 8.287 0.188 1.00 11.21 H new ATOM 0 HD12 LEU A 64 1.285 8.511 -0.890 1.00 11.21 H new ATOM 0 HD13 LEU A 64 2.818 9.346 -1.235 1.00 11.21 H new ATOM 0 HD21 LEU A 64 3.400 10.101 1.704 1.00 73.51 H new ATOM 0 HD22 LEU A 64 3.568 11.242 0.348 1.00 73.51 H new ATOM 0 HD23 LEU A 64 2.528 11.652 1.733 1.00 73.51 H new ATOM 950 N ALA A 65 -1.672 13.179 -0.863 1.00 13.24 N ATOM 951 CA ALA A 65 -2.478 13.994 -1.783 1.00 3.01 C ATOM 952 C ALA A 65 -3.113 15.199 -1.070 1.00 30.12 C ATOM 953 O ALA A 65 -3.226 16.287 -1.642 1.00 34.12 O ATOM 954 CB ALA A 65 -3.555 13.129 -2.431 1.00 30.45 C ATOM 0 H ALA A 65 -2.208 12.484 -0.344 1.00 13.24 H new ATOM 0 HA ALA A 65 -1.816 14.386 -2.555 1.00 3.01 H new ATOM 0 HB1 ALA A 65 -4.150 13.738 -3.112 1.00 30.45 H new ATOM 0 HB2 ALA A 65 -3.085 12.318 -2.986 1.00 30.45 H new ATOM 0 HB3 ALA A 65 -4.201 12.713 -1.658 1.00 30.45 H new