USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 732 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 2 SER OG : rot 62:sc= 0.202 USER MOD Set 1.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -66:sc= 0.923 USER MOD Single : A 27 THR OG1 : rot 125:sc= 1.04 USER MOD Single : A 28 SER OG : rot 79:sc= 0.0898 USER MOD Single : A 29 THR OG1 : rot 80:sc= 0.931 USER MOD Single : A 31 THR OG1 : rot 86:sc= 0.952 USER MOD Single : A 35 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.17) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00209 X(o=-0.0021,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.556 K(o=-0.56,f=-6) USER MOD Single : A 68 THR OG1 : rot 110:sc= -0.814 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -10.5! C(o=-10!,f=-14!) USER MOD Single : A 82 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.165 7.114 17.488 1.00 0.00 N ATOM 2 CA GLY A 1 15.978 6.361 17.859 1.00 0.00 C ATOM 3 C GLY A 1 14.780 6.768 16.999 1.00 0.00 C ATOM 4 O GLY A 1 14.370 6.025 16.108 1.00 0.00 O ATOM 0 H1 GLY A 1 17.964 6.820 18.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.394 6.932 16.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.988 8.130 17.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.168 5.294 17.742 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.749 6.531 18.911 1.00 0.00 H new ATOM 8 N SER A 2 14.252 7.946 17.295 1.00 0.00 N ATOM 9 CA SER A 2 13.109 8.460 16.560 1.00 0.00 C ATOM 10 C SER A 2 12.708 9.831 17.109 1.00 0.00 C ATOM 11 O SER A 2 13.049 10.860 16.528 1.00 0.00 O ATOM 12 CB SER A 2 11.926 7.493 16.633 1.00 0.00 C ATOM 13 OG SER A 2 11.685 6.850 15.384 1.00 0.00 O ATOM 0 H SER A 2 14.595 8.560 18.034 1.00 0.00 H new ATOM 0 HA SER A 2 13.394 8.563 15.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.120 6.740 17.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.032 8.036 16.940 1.00 0.00 H new ATOM 0 HG SER A 2 12.467 6.314 15.136 1.00 0.00 H new ATOM 19 N HIS A 3 11.989 9.800 18.221 1.00 0.00 N ATOM 20 CA HIS A 3 11.537 11.028 18.855 1.00 0.00 C ATOM 21 C HIS A 3 10.209 11.466 18.235 1.00 0.00 C ATOM 22 O HIS A 3 9.257 11.773 18.952 1.00 0.00 O ATOM 23 CB HIS A 3 12.616 12.110 18.773 1.00 0.00 C ATOM 24 CG HIS A 3 12.700 12.987 19.999 1.00 0.00 C ATOM 25 ND1 HIS A 3 13.903 13.410 20.537 1.00 0.00 N ATOM 26 CD2 HIS A 3 11.720 13.516 20.786 1.00 0.00 C ATOM 27 CE1 HIS A 3 13.646 14.159 21.599 1.00 0.00 C ATOM 28 NE2 HIS A 3 12.293 14.223 21.752 1.00 0.00 N ATOM 0 H HIS A 3 11.708 8.944 18.700 1.00 0.00 H new ATOM 0 HA HIS A 3 11.362 10.851 19.916 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.583 11.633 18.613 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.422 12.737 17.903 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.657 13.382 20.647 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.380 14.635 22.232 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.802 14.731 22.488 1.00 0.00 H new ATOM 36 N MET A 4 10.187 11.483 16.911 1.00 0.00 N ATOM 37 CA MET A 4 8.991 11.879 16.187 1.00 0.00 C ATOM 38 C MET A 4 7.949 10.759 16.196 1.00 0.00 C ATOM 39 O MET A 4 6.810 10.963 15.778 1.00 0.00 O ATOM 40 CB MET A 4 9.359 12.222 14.742 1.00 0.00 C ATOM 41 CG MET A 4 9.862 10.985 13.995 1.00 0.00 C ATOM 42 SD MET A 4 11.547 11.236 13.462 1.00 0.00 S ATOM 43 CE MET A 4 11.767 9.791 12.439 1.00 0.00 C ATOM 0 H MET A 4 10.979 11.229 16.320 1.00 0.00 H new ATOM 0 HA MET A 4 8.563 12.752 16.680 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.489 12.632 14.229 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.128 12.994 14.733 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.803 10.110 14.643 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.225 10.787 13.133 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.774 9.790 12.023 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.622 8.894 13.041 1.00 0.00 H new ATOM 0 HE3 MET A 4 11.039 9.805 11.628 1.00 0.00 H new ATOM 53 N LEU A 5 8.375 9.600 16.677 1.00 0.00 N ATOM 54 CA LEU A 5 7.493 8.448 16.747 1.00 0.00 C ATOM 55 C LEU A 5 6.160 8.869 17.368 1.00 0.00 C ATOM 56 O LEU A 5 5.098 8.441 16.917 1.00 0.00 O ATOM 57 CB LEU A 5 8.176 7.293 17.481 1.00 0.00 C ATOM 58 CG LEU A 5 7.388 5.984 17.554 1.00 0.00 C ATOM 59 CD1 LEU A 5 7.635 5.125 16.312 1.00 0.00 C ATOM 60 CD2 LEU A 5 7.700 5.227 18.846 1.00 0.00 C ATOM 0 H LEU A 5 9.320 9.434 17.022 1.00 0.00 H new ATOM 0 HA LEU A 5 7.275 8.074 15.747 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.130 7.093 16.993 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.399 7.616 18.498 1.00 0.00 H new ATOM 0 HG LEU A 5 6.325 6.226 17.572 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.063 4.200 16.389 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.322 5.672 15.423 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.697 4.890 16.238 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.127 4.300 18.872 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.765 4.996 18.884 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.431 5.844 19.703 1.00 0.00 H new ATOM 72 N ARG A 6 6.258 9.702 18.394 1.00 0.00 N ATOM 73 CA ARG A 6 5.073 10.185 19.082 1.00 0.00 C ATOM 74 C ARG A 6 4.402 11.294 18.269 1.00 0.00 C ATOM 75 O ARG A 6 3.198 11.248 18.025 1.00 0.00 O ATOM 76 CB ARG A 6 5.423 10.721 20.472 1.00 0.00 C ATOM 77 CG ARG A 6 4.702 9.927 21.563 1.00 0.00 C ATOM 78 CD ARG A 6 3.278 10.448 21.769 1.00 0.00 C ATOM 79 NE ARG A 6 2.994 10.587 23.215 1.00 0.00 N ATOM 80 CZ ARG A 6 1.753 10.608 23.744 1.00 0.00 C ATOM 81 NH1 ARG A 6 0.667 10.500 22.949 1.00 0.00 N ATOM 82 NH2 ARG A 6 1.616 10.737 25.051 1.00 0.00 N ATOM 0 H ARG A 6 7.140 10.055 18.765 1.00 0.00 H new ATOM 0 HA ARG A 6 4.387 9.345 19.191 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.500 10.664 20.627 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.147 11.773 20.540 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.671 8.872 21.290 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.258 9.998 22.498 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.159 11.411 21.272 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.562 9.764 21.314 1.00 0.00 H new ATOM 0 HE ARG A 6 3.786 10.672 23.852 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.781 10.402 21.940 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.268 10.517 23.357 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.441 10.819 25.645 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.685 10.755 25.467 1.00 0.00 H new ATOM 95 N ASP A 7 5.212 12.265 17.873 1.00 0.00 N ATOM 96 CA ASP A 7 4.712 13.385 17.093 1.00 0.00 C ATOM 97 C ASP A 7 4.799 13.042 15.604 1.00 0.00 C ATOM 98 O ASP A 7 5.218 13.870 14.796 1.00 0.00 O ATOM 99 CB ASP A 7 5.547 14.643 17.338 1.00 0.00 C ATOM 100 CG ASP A 7 5.241 15.378 18.644 1.00 0.00 C ATOM 101 OD1 ASP A 7 5.494 14.860 19.743 1.00 0.00 O ATOM 102 OD2 ASP A 7 4.712 16.546 18.502 1.00 0.00 O ATOM 0 H ASP A 7 6.211 12.300 18.077 1.00 0.00 H new ATOM 0 HA ASP A 7 3.681 13.573 17.394 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.602 14.368 17.332 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.393 15.331 16.507 1.00 0.00 H new ATOM 108 N ARG A 8 4.396 11.821 15.286 1.00 0.00 N ATOM 109 CA ARG A 8 4.423 11.359 13.909 1.00 0.00 C ATOM 110 C ARG A 8 3.114 11.717 13.203 1.00 0.00 C ATOM 111 O ARG A 8 3.081 11.853 11.981 1.00 0.00 O ATOM 112 CB ARG A 8 4.633 9.845 13.840 1.00 0.00 C ATOM 113 CG ARG A 8 6.003 9.508 13.247 1.00 0.00 C ATOM 114 CD ARG A 8 5.994 8.122 12.598 1.00 0.00 C ATOM 115 NE ARG A 8 7.056 8.038 11.571 1.00 0.00 N ATOM 116 CZ ARG A 8 8.348 7.754 11.840 1.00 0.00 C ATOM 117 NH1 ARG A 8 8.749 7.525 13.109 1.00 0.00 N ATOM 118 NH2 ARG A 8 9.214 7.704 10.845 1.00 0.00 N ATOM 0 H ARG A 8 4.049 11.137 15.959 1.00 0.00 H new ATOM 0 HA ARG A 8 5.256 11.854 13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.550 9.417 14.839 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.849 9.393 13.233 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.277 10.259 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.760 9.542 14.030 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.149 7.355 13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.022 7.930 12.144 1.00 0.00 H new ATOM 0 HE ARG A 8 6.796 8.205 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.074 7.566 13.872 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.727 7.311 13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.903 7.879 9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.194 7.491 11.032 1.00 0.00 H new ATOM 131 N LEU A 9 2.067 11.861 14.003 1.00 0.00 N ATOM 132 CA LEU A 9 0.759 12.202 13.470 1.00 0.00 C ATOM 133 C LEU A 9 0.642 13.722 13.351 1.00 0.00 C ATOM 134 O LEU A 9 -0.149 14.227 12.555 1.00 0.00 O ATOM 135 CB LEU A 9 -0.346 11.564 14.314 1.00 0.00 C ATOM 136 CG LEU A 9 -0.059 10.156 14.841 1.00 0.00 C ATOM 137 CD1 LEU A 9 0.057 10.156 16.367 1.00 0.00 C ATOM 138 CD2 LEU A 9 -1.110 9.160 14.346 1.00 0.00 C ATOM 0 H LEU A 9 2.098 11.748 15.016 1.00 0.00 H new ATOM 0 HA LEU A 9 0.638 11.793 12.467 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.548 12.215 15.165 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.257 11.528 13.717 1.00 0.00 H new ATOM 0 HG LEU A 9 0.903 9.832 14.444 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.261 9.144 16.716 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.870 10.815 16.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.878 10.509 16.803 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.882 8.168 14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.096 9.469 14.694 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.101 9.133 13.256 1.00 0.00 H new ATOM 150 N ALA A 10 1.441 14.410 14.153 1.00 0.00 N ATOM 151 CA ALA A 10 1.436 15.863 14.148 1.00 0.00 C ATOM 152 C ALA A 10 1.901 16.365 12.780 1.00 0.00 C ATOM 153 O ALA A 10 3.002 16.899 12.651 1.00 0.00 O ATOM 154 CB ALA A 10 2.316 16.381 15.288 1.00 0.00 C ATOM 0 H ALA A 10 2.096 13.988 14.811 1.00 0.00 H new ATOM 0 HA ALA A 10 0.428 16.244 14.315 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.312 17.471 15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.927 16.020 16.240 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.336 16.021 15.153 1.00 0.00 H new ATOM 160 N GLY A 11 1.039 16.177 11.792 1.00 0.00 N ATOM 161 CA GLY A 11 1.347 16.604 10.438 1.00 0.00 C ATOM 162 C GLY A 11 1.404 15.408 9.485 1.00 0.00 C ATOM 163 O GLY A 11 1.985 15.498 8.405 1.00 0.00 O ATOM 0 H GLY A 11 0.127 15.734 11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.591 17.311 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.303 17.128 10.427 1.00 0.00 H new ATOM 167 N LEU A 12 0.792 14.317 9.920 1.00 0.00 N ATOM 168 CA LEU A 12 0.765 13.104 9.119 1.00 0.00 C ATOM 169 C LEU A 12 0.606 13.476 7.643 1.00 0.00 C ATOM 170 O LEU A 12 -0.504 13.739 7.182 1.00 0.00 O ATOM 171 CB LEU A 12 -0.312 12.147 9.632 1.00 0.00 C ATOM 172 CG LEU A 12 -1.759 12.542 9.330 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.312 11.740 8.150 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.636 12.406 10.576 1.00 0.00 C ATOM 0 H LEU A 12 0.311 14.247 10.817 1.00 0.00 H new ATOM 0 HA LEU A 12 1.708 12.565 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.128 11.162 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.200 12.051 10.712 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.772 13.593 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.342 12.040 7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.706 11.931 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.283 10.677 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.659 12.693 10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.621 11.372 10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.254 13.056 11.363 1.00 0.00 H new ATOM 186 N PRO A 13 1.761 13.487 6.925 1.00 0.00 N ATOM 187 CA PRO A 13 1.760 13.823 5.512 1.00 0.00 C ATOM 188 C PRO A 13 1.210 12.667 4.674 1.00 0.00 C ATOM 189 O PRO A 13 0.794 11.644 5.218 1.00 0.00 O ATOM 190 CB PRO A 13 3.206 14.157 5.185 1.00 0.00 C ATOM 191 CG PRO A 13 4.037 13.550 6.305 1.00 0.00 C ATOM 192 CD PRO A 13 3.093 13.182 7.438 1.00 0.00 C ATOM 0 HA PRO A 13 1.109 14.666 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.493 13.744 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.355 15.235 5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.570 12.668 5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.789 14.259 6.650 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.184 12.128 7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.312 13.757 8.338 1.00 0.00 H new ATOM 200 N ARG A 14 1.224 12.867 3.364 1.00 0.00 N ATOM 201 CA ARG A 14 0.732 11.854 2.447 1.00 0.00 C ATOM 202 C ARG A 14 1.287 10.480 2.826 1.00 0.00 C ATOM 203 O ARG A 14 0.550 9.495 2.856 1.00 0.00 O ATOM 204 CB ARG A 14 1.129 12.177 1.005 1.00 0.00 C ATOM 205 CG ARG A 14 0.042 11.734 0.024 1.00 0.00 C ATOM 206 CD ARG A 14 -1.260 12.501 0.265 1.00 0.00 C ATOM 207 NE ARG A 14 -1.903 12.825 -1.028 1.00 0.00 N ATOM 208 CZ ARG A 14 -3.120 13.398 -1.146 1.00 0.00 C ATOM 209 NH1 ARG A 14 -3.837 13.715 -0.047 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.598 13.643 -2.351 1.00 0.00 N ATOM 0 H ARG A 14 1.569 13.716 2.916 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.356 11.842 2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.301 13.248 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.068 11.679 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.381 11.899 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.137 10.664 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.936 11.904 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.055 13.417 0.818 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.395 12.601 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.460 13.522 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.756 14.148 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.050 13.400 -3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.516 14.075 -2.457 1.00 0.00 H new ATOM 223 N ALA A 15 2.582 10.456 3.105 1.00 0.00 N ATOM 224 CA ALA A 15 3.245 9.219 3.481 1.00 0.00 C ATOM 225 C ALA A 15 2.490 8.575 4.645 1.00 0.00 C ATOM 226 O ALA A 15 1.847 7.539 4.476 1.00 0.00 O ATOM 227 CB ALA A 15 4.708 9.506 3.822 1.00 0.00 C ATOM 0 H ALA A 15 3.190 11.274 3.078 1.00 0.00 H new ATOM 0 HA ALA A 15 3.237 8.512 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.205 8.578 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.207 9.935 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.757 10.210 4.653 1.00 0.00 H new ATOM 233 N GLU A 16 2.593 9.214 5.801 1.00 0.00 N ATOM 234 CA GLU A 16 1.928 8.716 6.993 1.00 0.00 C ATOM 235 C GLU A 16 0.520 8.224 6.650 1.00 0.00 C ATOM 236 O GLU A 16 0.135 7.119 7.031 1.00 0.00 O ATOM 237 CB GLU A 16 1.882 9.788 8.084 1.00 0.00 C ATOM 238 CG GLU A 16 3.182 9.805 8.891 1.00 0.00 C ATOM 239 CD GLU A 16 4.400 9.712 7.970 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.470 10.427 6.960 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.297 8.860 8.336 1.00 0.00 O ATOM 0 H GLU A 16 3.127 10.072 5.938 1.00 0.00 H new ATOM 0 HA GLU A 16 2.502 7.874 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.718 10.766 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.039 9.599 8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.236 10.720 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.189 8.972 9.594 1.00 0.00 H new ATOM 249 N ARG A 17 -0.208 9.066 5.933 1.00 0.00 N ATOM 250 CA ARG A 17 -1.564 8.730 5.533 1.00 0.00 C ATOM 251 C ARG A 17 -1.575 7.424 4.737 1.00 0.00 C ATOM 252 O ARG A 17 -2.295 6.488 5.082 1.00 0.00 O ATOM 253 CB ARG A 17 -2.180 9.843 4.683 1.00 0.00 C ATOM 254 CG ARG A 17 -3.571 9.447 4.184 1.00 0.00 C ATOM 255 CD ARG A 17 -4.603 9.535 5.310 1.00 0.00 C ATOM 256 NE ARG A 17 -4.776 10.943 5.729 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.680 11.355 6.643 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.503 10.468 7.242 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.748 12.639 6.942 1.00 0.00 N ATOM 0 H ARG A 17 0.115 9.981 5.618 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.157 8.611 6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.248 10.759 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.532 10.057 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.866 10.101 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.544 8.431 3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.556 9.127 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.280 8.932 6.158 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.175 11.647 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.445 9.478 7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.183 10.788 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.123 13.303 6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.425 12.967 7.630 1.00 0.00 H new ATOM 272 N THR A 18 -0.768 7.402 3.686 1.00 0.00 N ATOM 273 CA THR A 18 -0.675 6.226 2.838 1.00 0.00 C ATOM 274 C THR A 18 -0.197 5.020 3.649 1.00 0.00 C ATOM 275 O THR A 18 -0.720 3.918 3.495 1.00 0.00 O ATOM 276 CB THR A 18 0.237 6.566 1.657 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.576 7.374 0.811 1.00 0.00 O ATOM 278 CG2 THR A 18 0.565 5.342 0.800 1.00 0.00 C ATOM 0 H THR A 18 -0.173 8.180 3.403 1.00 0.00 H new ATOM 0 HA THR A 18 -1.651 5.945 2.443 1.00 0.00 H new ATOM 0 HB THR A 18 1.162 7.008 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.311 6.835 0.451 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.214 5.638 -0.024 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.072 4.595 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.357 4.919 0.401 1.00 0.00 H new ATOM 286 N ALA A 19 0.792 5.271 4.494 1.00 0.00 N ATOM 287 CA ALA A 19 1.347 4.219 5.329 1.00 0.00 C ATOM 288 C ALA A 19 0.321 3.824 6.393 1.00 0.00 C ATOM 289 O ALA A 19 0.372 2.718 6.929 1.00 0.00 O ATOM 290 CB ALA A 19 2.667 4.695 5.939 1.00 0.00 C ATOM 0 H ALA A 19 1.223 6.187 4.618 1.00 0.00 H new ATOM 0 HA ALA A 19 1.564 3.331 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.084 3.906 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.371 4.935 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.488 5.583 6.545 1.00 0.00 H new ATOM 296 N GLU A 20 -0.585 4.751 6.668 1.00 0.00 N ATOM 297 CA GLU A 20 -1.621 4.513 7.659 1.00 0.00 C ATOM 298 C GLU A 20 -2.705 3.598 7.085 1.00 0.00 C ATOM 299 O GLU A 20 -3.085 2.611 7.712 1.00 0.00 O ATOM 300 CB GLU A 20 -2.221 5.832 8.151 1.00 0.00 C ATOM 301 CG GLU A 20 -3.503 5.586 8.950 1.00 0.00 C ATOM 302 CD GLU A 20 -3.443 6.283 10.311 1.00 0.00 C ATOM 303 OE1 GLU A 20 -3.013 7.443 10.395 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.864 5.577 11.304 1.00 0.00 O ATOM 0 H GLU A 20 -0.623 5.668 6.222 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.169 4.014 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.495 6.356 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.437 6.478 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.362 5.952 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.647 4.515 9.092 1.00 0.00 H new ATOM 312 N LEU A 21 -3.172 3.959 5.899 1.00 0.00 N ATOM 313 CA LEU A 21 -4.205 3.183 5.233 1.00 0.00 C ATOM 314 C LEU A 21 -3.844 1.698 5.302 1.00 0.00 C ATOM 315 O LEU A 21 -4.621 0.890 5.809 1.00 0.00 O ATOM 316 CB LEU A 21 -4.427 3.697 3.809 1.00 0.00 C ATOM 317 CG LEU A 21 -5.648 4.595 3.603 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.946 3.816 3.826 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.568 5.841 4.488 1.00 0.00 C ATOM 0 H LEU A 21 -2.854 4.779 5.382 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.161 3.303 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.539 4.249 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.516 2.838 3.144 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.651 4.935 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.798 4.478 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.999 2.987 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.967 3.427 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.448 6.462 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.527 5.541 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.671 6.408 4.238 1.00 0.00 H new ATOM 331 N VAL A 22 -2.666 1.383 4.784 1.00 0.00 N ATOM 332 CA VAL A 22 -2.193 0.009 4.780 1.00 0.00 C ATOM 333 C VAL A 22 -2.258 -0.552 6.202 1.00 0.00 C ATOM 334 O VAL A 22 -2.989 -1.506 6.464 1.00 0.00 O ATOM 335 CB VAL A 22 -0.790 -0.059 4.174 1.00 0.00 C ATOM 336 CG1 VAL A 22 -0.234 -1.484 4.238 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.787 0.467 2.738 1.00 0.00 C ATOM 0 H VAL A 22 -2.025 2.056 4.364 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.833 -0.614 4.155 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.137 0.582 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.764 -1.505 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.182 -1.808 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.888 -2.155 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.222 0.408 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.460 -0.136 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.121 1.505 2.730 1.00 0.00 H new ATOM 347 N ARG A 23 -1.484 0.065 7.084 1.00 0.00 N ATOM 348 CA ARG A 23 -1.445 -0.361 8.472 1.00 0.00 C ATOM 349 C ARG A 23 -2.854 -0.700 8.964 1.00 0.00 C ATOM 350 O ARG A 23 -3.018 -1.489 9.893 1.00 0.00 O ATOM 351 CB ARG A 23 -0.849 0.728 9.366 1.00 0.00 C ATOM 352 CG ARG A 23 0.671 0.796 9.208 1.00 0.00 C ATOM 353 CD ARG A 23 1.362 -0.241 10.096 1.00 0.00 C ATOM 354 NE ARG A 23 2.098 -1.215 9.259 1.00 0.00 N ATOM 355 CZ ARG A 23 3.335 -1.001 8.761 1.00 0.00 C ATOM 356 NH1 ARG A 23 3.985 0.155 9.011 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.899 -1.941 8.024 1.00 0.00 N ATOM 0 H ARG A 23 -0.879 0.856 6.864 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.814 -1.248 8.528 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.288 1.693 9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.101 0.527 10.407 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.940 0.624 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.023 1.794 9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.050 0.255 10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.623 -0.759 10.707 1.00 0.00 H new ATOM 0 HE ARG A 23 1.643 -2.102 9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.542 0.876 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.919 0.307 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.401 -2.812 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.833 -1.796 7.640 1.00 0.00 H new ATOM 370 N LEU A 24 -3.835 -0.087 8.318 1.00 0.00 N ATOM 371 CA LEU A 24 -5.224 -0.313 8.677 1.00 0.00 C ATOM 372 C LEU A 24 -5.779 -1.473 7.847 1.00 0.00 C ATOM 373 O LEU A 24 -6.408 -2.382 8.387 1.00 0.00 O ATOM 374 CB LEU A 24 -6.030 0.980 8.543 1.00 0.00 C ATOM 375 CG LEU A 24 -7.033 1.265 9.663 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.034 2.750 10.033 1.00 0.00 C ATOM 377 CD2 LEU A 24 -8.430 0.768 9.287 1.00 0.00 C ATOM 0 H LEU A 24 -3.695 0.566 7.547 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.304 -0.603 9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.332 1.815 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.571 0.951 7.597 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.722 0.712 10.549 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.755 2.926 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.040 3.041 10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.308 3.342 9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.124 0.983 10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.765 1.274 8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.399 -0.307 9.111 1.00 0.00 H new ATOM 389 N VAL A 25 -5.525 -1.403 6.549 1.00 0.00 N ATOM 390 CA VAL A 25 -5.992 -2.436 5.639 1.00 0.00 C ATOM 391 C VAL A 25 -5.446 -3.792 6.091 1.00 0.00 C ATOM 392 O VAL A 25 -6.135 -4.806 5.994 1.00 0.00 O ATOM 393 CB VAL A 25 -5.601 -2.083 4.202 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.730 -0.579 3.953 1.00 0.00 C ATOM 395 CG2 VAL A 25 -4.187 -2.572 3.883 1.00 0.00 C ATOM 0 H VAL A 25 -5.002 -0.648 6.105 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.080 -2.500 5.659 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.292 -2.594 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.446 -0.355 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.762 -0.270 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.074 -0.040 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.934 -2.309 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.477 -2.102 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.141 -3.655 4.002 1.00 0.00 H new ATOM 405 N ARG A 26 -4.213 -3.766 6.575 1.00 0.00 N ATOM 406 CA ARG A 26 -3.567 -4.981 7.043 1.00 0.00 C ATOM 407 C ARG A 26 -4.100 -5.368 8.424 1.00 0.00 C ATOM 408 O ARG A 26 -4.836 -6.345 8.558 1.00 0.00 O ATOM 409 CB ARG A 26 -2.049 -4.803 7.121 1.00 0.00 C ATOM 410 CG ARG A 26 -1.326 -5.918 6.362 1.00 0.00 C ATOM 411 CD ARG A 26 -1.303 -5.633 4.859 1.00 0.00 C ATOM 412 NE ARG A 26 -1.609 -6.869 4.105 1.00 0.00 N ATOM 413 CZ ARG A 26 -2.839 -7.197 3.656 1.00 0.00 C ATOM 414 NH1 ARG A 26 -3.891 -6.382 3.882 1.00 0.00 N ATOM 415 NH2 ARG A 26 -2.998 -8.327 2.993 1.00 0.00 N ATOM 0 H ARG A 26 -3.644 -2.923 6.653 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.792 -5.772 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.771 -3.835 6.704 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.732 -4.804 8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.306 -6.013 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.823 -6.870 6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.031 -4.859 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.324 -5.252 4.568 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.842 -7.514 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.760 -5.511 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.817 -6.638 3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.198 -8.938 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.921 -8.590 2.647 1.00 0.00 H new ATOM 428 N THR A 27 -3.707 -4.582 9.416 1.00 0.00 N ATOM 429 CA THR A 27 -4.137 -4.831 10.782 1.00 0.00 C ATOM 430 C THR A 27 -5.600 -5.276 10.808 1.00 0.00 C ATOM 431 O THR A 27 -5.934 -6.285 11.428 1.00 0.00 O ATOM 432 CB THR A 27 -3.872 -3.564 11.598 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.491 -3.290 11.377 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.967 -3.808 13.105 1.00 0.00 C ATOM 0 H THR A 27 -3.096 -3.773 9.301 1.00 0.00 H new ATOM 0 HA THR A 27 -3.574 -5.649 11.232 1.00 0.00 H new ATOM 0 HB THR A 27 -4.585 -2.791 11.310 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.389 -2.378 11.034 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.771 -2.877 13.637 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.967 -4.164 13.354 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.231 -4.557 13.399 1.00 0.00 H new ATOM 442 N SER A 28 -6.433 -4.503 10.127 1.00 0.00 N ATOM 443 CA SER A 28 -7.853 -4.806 10.065 1.00 0.00 C ATOM 444 C SER A 28 -8.070 -6.163 9.392 1.00 0.00 C ATOM 445 O SER A 28 -8.691 -7.053 9.970 1.00 0.00 O ATOM 446 CB SER A 28 -8.616 -3.713 9.314 1.00 0.00 C ATOM 447 OG SER A 28 -8.536 -2.454 9.977 1.00 0.00 O ATOM 0 H SER A 28 -6.152 -3.668 9.614 1.00 0.00 H new ATOM 0 HA SER A 28 -8.239 -4.847 11.084 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.214 -3.618 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.662 -4.004 9.214 1.00 0.00 H new ATOM 0 HG SER A 28 -7.666 -2.042 9.793 1.00 0.00 H new ATOM 453 N THR A 29 -7.545 -6.278 8.181 1.00 0.00 N ATOM 454 CA THR A 29 -7.674 -7.511 7.424 1.00 0.00 C ATOM 455 C THR A 29 -7.349 -8.716 8.308 1.00 0.00 C ATOM 456 O THR A 29 -8.208 -9.563 8.550 1.00 0.00 O ATOM 457 CB THR A 29 -6.776 -7.404 6.190 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.537 -6.622 5.273 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.598 -8.746 5.476 1.00 0.00 C ATOM 0 H THR A 29 -7.029 -5.537 7.705 1.00 0.00 H new ATOM 0 HA THR A 29 -8.699 -7.662 7.086 1.00 0.00 H new ATOM 0 HB THR A 29 -5.800 -7.017 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.453 -5.673 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.952 -8.613 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.145 -9.464 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.570 -9.117 5.152 1.00 0.00 H new ATOM 467 N ALA A 30 -6.107 -8.756 8.767 1.00 0.00 N ATOM 468 CA ALA A 30 -5.658 -9.843 9.619 1.00 0.00 C ATOM 469 C ALA A 30 -6.570 -9.935 10.844 1.00 0.00 C ATOM 470 O ALA A 30 -6.877 -11.030 11.314 1.00 0.00 O ATOM 471 CB ALA A 30 -4.192 -9.623 9.999 1.00 0.00 C ATOM 0 H ALA A 30 -5.397 -8.052 8.564 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.718 -10.794 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.855 -10.439 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.582 -9.595 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.093 -8.678 10.534 1.00 0.00 H new ATOM 477 N THR A 31 -6.978 -8.771 11.327 1.00 0.00 N ATOM 478 CA THR A 31 -7.849 -8.706 12.488 1.00 0.00 C ATOM 479 C THR A 31 -9.202 -9.348 12.177 1.00 0.00 C ATOM 480 O THR A 31 -9.799 -9.995 13.036 1.00 0.00 O ATOM 481 CB THR A 31 -7.956 -7.242 12.918 1.00 0.00 C ATOM 482 OG1 THR A 31 -6.722 -6.983 13.582 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.014 -7.025 14.002 1.00 0.00 C ATOM 0 H THR A 31 -6.721 -7.865 10.935 1.00 0.00 H new ATOM 0 HA THR A 31 -7.439 -9.276 13.322 1.00 0.00 H new ATOM 0 HB THR A 31 -8.193 -6.627 12.050 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.046 -6.718 12.924 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.049 -5.969 14.270 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.989 -7.336 13.626 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.759 -7.615 14.882 1.00 0.00 H new ATOM 491 N VAL A 32 -9.647 -9.148 10.945 1.00 0.00 N ATOM 492 CA VAL A 32 -10.918 -9.699 10.509 1.00 0.00 C ATOM 493 C VAL A 32 -10.872 -11.225 10.620 1.00 0.00 C ATOM 494 O VAL A 32 -11.743 -11.832 11.240 1.00 0.00 O ATOM 495 CB VAL A 32 -11.243 -9.212 9.096 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.620 -9.707 8.648 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.153 -7.687 9.007 1.00 0.00 C ATOM 0 H VAL A 32 -9.149 -8.611 10.235 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.726 -9.350 11.152 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.500 -9.632 8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.826 -9.346 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.634 -10.797 8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.382 -9.331 9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.389 -7.367 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.863 -7.239 9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.143 -7.367 9.263 1.00 0.00 H new ATOM 507 N LEU A 33 -9.847 -11.800 10.008 1.00 0.00 N ATOM 508 CA LEU A 33 -9.676 -13.242 10.030 1.00 0.00 C ATOM 509 C LEU A 33 -9.670 -13.729 11.481 1.00 0.00 C ATOM 510 O LEU A 33 -10.021 -14.875 11.756 1.00 0.00 O ATOM 511 CB LEU A 33 -8.429 -13.646 9.241 1.00 0.00 C ATOM 512 CG LEU A 33 -8.560 -13.613 7.717 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.263 -14.068 7.045 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.765 -14.434 7.252 1.00 0.00 C ATOM 0 H LEU A 33 -9.127 -11.293 9.494 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.513 -13.732 9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.611 -12.986 9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.145 -14.655 9.540 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.736 -12.581 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.383 -14.035 5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.449 -13.406 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.032 -15.087 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.835 -14.394 6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.644 -15.470 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.675 -14.024 7.690 1.00 0.00 H new ATOM 526 N GLY A 34 -9.268 -12.833 12.370 1.00 0.00 N ATOM 527 CA GLY A 34 -9.212 -13.157 13.785 1.00 0.00 C ATOM 528 C GLY A 34 -7.769 -13.391 14.237 1.00 0.00 C ATOM 529 O GLY A 34 -7.520 -14.175 15.151 1.00 0.00 O ATOM 0 H GLY A 34 -8.978 -11.883 12.138 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.652 -12.346 14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.808 -14.049 13.982 1.00 0.00 H new ATOM 533 N HIS A 35 -6.855 -12.696 13.576 1.00 0.00 N ATOM 534 CA HIS A 35 -5.443 -12.818 13.898 1.00 0.00 C ATOM 535 C HIS A 35 -4.800 -11.430 13.921 1.00 0.00 C ATOM 536 O HIS A 35 -4.507 -10.860 12.871 1.00 0.00 O ATOM 537 CB HIS A 35 -4.747 -13.779 12.932 1.00 0.00 C ATOM 538 CG HIS A 35 -5.478 -15.084 12.730 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.360 -16.152 13.601 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.338 -15.482 11.748 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.118 -17.143 13.154 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.723 -16.726 12.005 1.00 0.00 N ATOM 0 H HIS A 35 -7.065 -12.046 12.818 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.329 -13.249 14.893 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.631 -13.286 11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.745 -13.990 13.305 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.652 -14.886 10.904 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.236 -18.111 13.618 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.365 -17.279 11.437 1.00 0.00 H new ATOM 550 N ASP A 36 -4.599 -10.927 15.130 1.00 0.00 N ATOM 551 CA ASP A 36 -3.996 -9.616 15.304 1.00 0.00 C ATOM 552 C ASP A 36 -2.473 -9.747 15.231 1.00 0.00 C ATOM 553 O ASP A 36 -1.788 -9.646 16.248 1.00 0.00 O ATOM 554 CB ASP A 36 -4.354 -9.021 16.667 1.00 0.00 C ATOM 555 CG ASP A 36 -4.258 -9.995 17.843 1.00 0.00 C ATOM 556 OD1 ASP A 36 -5.015 -10.974 17.925 1.00 0.00 O ATOM 557 OD2 ASP A 36 -3.347 -9.713 18.712 1.00 0.00 O ATOM 0 H ASP A 36 -4.843 -11.403 15.998 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.373 -8.964 14.516 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.696 -8.174 16.861 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.370 -8.630 16.620 1.00 0.00 H new ATOM 563 N ASP A 37 -1.988 -9.970 14.018 1.00 0.00 N ATOM 564 CA ASP A 37 -0.559 -10.115 13.799 1.00 0.00 C ATOM 565 C ASP A 37 -0.241 -9.837 12.328 1.00 0.00 C ATOM 566 O ASP A 37 -0.389 -10.716 11.481 1.00 0.00 O ATOM 567 CB ASP A 37 -0.094 -11.536 14.122 1.00 0.00 C ATOM 568 CG ASP A 37 -1.151 -12.624 13.922 1.00 0.00 C ATOM 569 OD1 ASP A 37 -2.002 -12.856 14.793 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.077 -13.256 12.799 1.00 0.00 O ATOM 0 H ASP A 37 -2.559 -10.054 13.177 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.045 -9.410 14.452 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.769 -11.770 13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.244 -11.565 15.158 1.00 0.00 H new ATOM 576 N PRO A 38 0.200 -8.578 12.064 1.00 0.00 N ATOM 577 CA PRO A 38 0.540 -8.173 10.710 1.00 0.00 C ATOM 578 C PRO A 38 1.880 -8.772 10.279 1.00 0.00 C ATOM 579 O PRO A 38 2.144 -8.916 9.086 1.00 0.00 O ATOM 580 CB PRO A 38 0.551 -6.654 10.745 1.00 0.00 C ATOM 581 CG PRO A 38 0.677 -6.272 12.211 1.00 0.00 C ATOM 582 CD PRO A 38 0.388 -7.511 13.042 1.00 0.00 C ATOM 0 HA PRO A 38 -0.174 -8.535 9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.383 -6.256 10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.363 -6.247 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.678 -5.895 12.423 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.023 -5.474 12.459 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.213 -7.735 13.719 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.502 -7.376 13.657 1.00 0.00 H new ATOM 590 N LYS A 39 2.691 -9.104 11.272 1.00 0.00 N ATOM 591 CA LYS A 39 3.997 -9.684 11.010 1.00 0.00 C ATOM 592 C LYS A 39 3.820 -11.055 10.357 1.00 0.00 C ATOM 593 O LYS A 39 4.775 -11.624 9.829 1.00 0.00 O ATOM 594 CB LYS A 39 4.835 -9.716 12.290 1.00 0.00 C ATOM 595 CG LYS A 39 5.477 -8.353 12.559 1.00 0.00 C ATOM 596 CD LYS A 39 4.953 -7.748 13.863 1.00 0.00 C ATOM 597 CE LYS A 39 4.727 -6.242 13.716 1.00 0.00 C ATOM 598 NZ LYS A 39 5.782 -5.487 14.428 1.00 0.00 N ATOM 0 H LYS A 39 2.469 -8.982 12.260 1.00 0.00 H new ATOM 0 HA LYS A 39 4.554 -9.065 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.206 -9.999 13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.611 -10.477 12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.560 -8.462 12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.266 -7.678 11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.019 -8.234 14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.664 -7.936 14.667 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.726 -5.970 12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.748 -5.975 14.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.613 -4.467 14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.764 -5.734 15.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.711 -5.729 14.029 1.00 0.00 H new ATOM 611 N ALA A 40 2.591 -11.548 10.413 1.00 0.00 N ATOM 612 CA ALA A 40 2.277 -12.843 9.833 1.00 0.00 C ATOM 613 C ALA A 40 1.521 -12.638 8.519 1.00 0.00 C ATOM 614 O ALA A 40 0.619 -13.408 8.190 1.00 0.00 O ATOM 615 CB ALA A 40 1.480 -13.674 10.841 1.00 0.00 C ATOM 0 H ALA A 40 1.801 -11.074 10.851 1.00 0.00 H new ATOM 0 HA ALA A 40 3.190 -13.394 9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.244 -14.645 10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.072 -13.815 11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.555 -13.154 11.091 1.00 0.00 H new ATOM 621 N VAL A 41 1.916 -11.596 7.802 1.00 0.00 N ATOM 622 CA VAL A 41 1.286 -11.280 6.531 1.00 0.00 C ATOM 623 C VAL A 41 2.027 -10.112 5.877 1.00 0.00 C ATOM 624 O VAL A 41 2.615 -9.280 6.566 1.00 0.00 O ATOM 625 CB VAL A 41 -0.203 -11.001 6.740 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.426 -9.586 7.280 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.990 -11.224 5.446 1.00 0.00 C ATOM 0 H VAL A 41 2.664 -10.960 8.077 1.00 0.00 H new ATOM 0 HA VAL A 41 1.351 -12.129 5.851 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.574 -11.706 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.493 -9.414 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.087 -9.476 8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.031 -8.859 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.046 -11.019 5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.615 -10.555 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.871 -12.258 5.121 1.00 0.00 H new ATOM 637 N ARG A 42 1.975 -10.087 4.553 1.00 0.00 N ATOM 638 CA ARG A 42 2.634 -9.035 3.797 1.00 0.00 C ATOM 639 C ARG A 42 1.599 -8.064 3.227 1.00 0.00 C ATOM 640 O ARG A 42 0.405 -8.196 3.493 1.00 0.00 O ATOM 641 CB ARG A 42 3.463 -9.617 2.651 1.00 0.00 C ATOM 642 CG ARG A 42 4.931 -9.769 3.058 1.00 0.00 C ATOM 643 CD ARG A 42 5.208 -11.174 3.596 1.00 0.00 C ATOM 644 NE ARG A 42 6.322 -11.133 4.569 1.00 0.00 N ATOM 645 CZ ARG A 42 7.626 -11.083 4.226 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.992 -11.069 2.926 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.538 -11.049 5.179 1.00 0.00 N ATOM 0 H ARG A 42 1.487 -10.779 3.984 1.00 0.00 H new ATOM 0 HA ARG A 42 3.299 -8.504 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.060 -10.588 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.389 -8.968 1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.573 -9.572 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.180 -9.029 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.313 -11.573 4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.457 -11.845 2.774 1.00 0.00 H new ATOM 0 HE ARG A 42 6.089 -11.143 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.281 -11.096 2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.980 -11.031 2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.253 -11.061 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.528 -11.011 4.936 1.00 0.00 H new ATOM 660 N ALA A 43 2.094 -7.109 2.453 1.00 0.00 N ATOM 661 CA ALA A 43 1.227 -6.116 1.842 1.00 0.00 C ATOM 662 C ALA A 43 0.939 -6.517 0.395 1.00 0.00 C ATOM 663 O ALA A 43 0.025 -5.982 -0.232 1.00 0.00 O ATOM 664 CB ALA A 43 1.880 -4.736 1.946 1.00 0.00 C ATOM 0 H ALA A 43 3.085 -7.002 2.235 1.00 0.00 H new ATOM 0 HA ALA A 43 0.272 -6.066 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.230 -3.990 1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.036 -4.486 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.840 -4.748 1.429 1.00 0.00 H new ATOM 670 N THR A 44 1.735 -7.456 -0.095 1.00 0.00 N ATOM 671 CA THR A 44 1.577 -7.936 -1.458 1.00 0.00 C ATOM 672 C THR A 44 0.997 -9.351 -1.461 1.00 0.00 C ATOM 673 O THR A 44 1.130 -10.078 -2.444 1.00 0.00 O ATOM 674 CB THR A 44 2.934 -7.833 -2.156 1.00 0.00 C ATOM 675 OG1 THR A 44 3.870 -8.227 -1.155 1.00 0.00 O ATOM 676 CG2 THR A 44 3.320 -6.388 -2.478 1.00 0.00 C ATOM 0 H THR A 44 2.492 -7.898 0.427 1.00 0.00 H new ATOM 0 HA THR A 44 0.864 -7.326 -2.012 1.00 0.00 H new ATOM 0 HB THR A 44 2.913 -8.416 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.777 -8.191 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.291 -6.372 -2.972 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.570 -5.949 -3.137 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.374 -5.811 -1.555 1.00 0.00 H new ATOM 684 N THR A 45 0.366 -9.701 -0.350 1.00 0.00 N ATOM 685 CA THR A 45 -0.235 -11.016 -0.212 1.00 0.00 C ATOM 686 C THR A 45 -1.628 -11.036 -0.844 1.00 0.00 C ATOM 687 O THR A 45 -2.324 -10.021 -0.852 1.00 0.00 O ATOM 688 CB THR A 45 -0.236 -11.383 1.273 1.00 0.00 C ATOM 689 OG1 THR A 45 0.565 -12.559 1.342 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.612 -11.839 1.763 1.00 0.00 C ATOM 0 H THR A 45 0.258 -9.096 0.464 1.00 0.00 H new ATOM 0 HA THR A 45 0.341 -11.771 -0.747 1.00 0.00 H new ATOM 0 HB THR A 45 0.091 -10.524 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.619 -12.864 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.557 -12.087 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.335 -11.037 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.926 -12.718 1.200 1.00 0.00 H new ATOM 698 N PRO A 46 -2.004 -12.232 -1.371 1.00 0.00 N ATOM 699 CA PRO A 46 -3.302 -12.396 -2.003 1.00 0.00 C ATOM 700 C PRO A 46 -4.416 -12.468 -0.957 1.00 0.00 C ATOM 701 O PRO A 46 -4.581 -13.488 -0.289 1.00 0.00 O ATOM 702 CB PRO A 46 -3.179 -13.667 -2.828 1.00 0.00 C ATOM 703 CG PRO A 46 -1.981 -14.415 -2.266 1.00 0.00 C ATOM 704 CD PRO A 46 -1.206 -13.454 -1.379 1.00 0.00 C ATOM 0 HA PRO A 46 -3.572 -11.550 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.085 -14.269 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.035 -13.435 -3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.307 -15.284 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.348 -14.784 -3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.085 -13.854 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.206 -13.271 -1.772 1.00 0.00 H new ATOM 712 N PHE A 47 -5.152 -11.372 -0.847 1.00 0.00 N ATOM 713 CA PHE A 47 -6.246 -11.297 0.107 1.00 0.00 C ATOM 714 C PHE A 47 -7.120 -12.551 0.038 1.00 0.00 C ATOM 715 O PHE A 47 -7.791 -12.899 1.008 1.00 0.00 O ATOM 716 CB PHE A 47 -7.090 -10.080 -0.275 1.00 0.00 C ATOM 717 CG PHE A 47 -7.971 -10.295 -1.507 1.00 0.00 C ATOM 718 CD1 PHE A 47 -7.481 -10.031 -2.748 1.00 0.00 C ATOM 719 CD2 PHE A 47 -9.244 -10.751 -1.362 1.00 0.00 C ATOM 720 CE1 PHE A 47 -8.298 -10.231 -3.892 1.00 0.00 C ATOM 721 CE2 PHE A 47 -10.062 -10.952 -2.506 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.571 -10.687 -3.747 1.00 0.00 C ATOM 0 H PHE A 47 -5.012 -10.528 -1.403 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.852 -11.217 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.724 -9.811 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.427 -9.234 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.470 -9.669 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.633 -10.960 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.908 -10.021 -4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.073 -11.315 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.192 -10.839 -4.617 1.00 0.00 H new ATOM 732 N LYS A 48 -7.083 -13.196 -1.119 1.00 0.00 N ATOM 733 CA LYS A 48 -7.864 -14.404 -1.328 1.00 0.00 C ATOM 734 C LYS A 48 -7.441 -15.461 -0.306 1.00 0.00 C ATOM 735 O LYS A 48 -8.203 -16.380 -0.007 1.00 0.00 O ATOM 736 CB LYS A 48 -7.749 -14.872 -2.780 1.00 0.00 C ATOM 737 CG LYS A 48 -9.045 -15.541 -3.244 1.00 0.00 C ATOM 738 CD LYS A 48 -9.157 -15.519 -4.770 1.00 0.00 C ATOM 739 CE LYS A 48 -9.571 -16.890 -5.309 1.00 0.00 C ATOM 740 NZ LYS A 48 -8.834 -17.202 -6.554 1.00 0.00 N ATOM 0 H LYS A 48 -6.525 -12.905 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.923 -14.206 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.524 -14.021 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.919 -15.572 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.074 -16.571 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.901 -15.028 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.887 -14.769 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.201 -15.227 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.372 -17.657 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.644 -16.903 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.127 -18.136 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.044 -16.480 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.812 -17.210 -6.360 1.00 0.00 H new ATOM 753 N GLU A 49 -6.229 -15.296 0.202 1.00 0.00 N ATOM 754 CA GLU A 49 -5.696 -16.225 1.184 1.00 0.00 C ATOM 755 C GLU A 49 -6.046 -15.761 2.599 1.00 0.00 C ATOM 756 O GLU A 49 -5.797 -16.474 3.570 1.00 0.00 O ATOM 757 CB GLU A 49 -4.184 -16.390 1.020 1.00 0.00 C ATOM 758 CG GLU A 49 -3.448 -15.103 1.398 1.00 0.00 C ATOM 759 CD GLU A 49 -2.460 -15.351 2.539 1.00 0.00 C ATOM 760 OE1 GLU A 49 -1.489 -16.104 2.366 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.727 -14.730 3.637 1.00 0.00 O ATOM 0 H GLU A 49 -5.600 -14.533 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.155 -17.200 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.834 -17.211 1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.953 -16.656 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.916 -14.716 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.169 -14.342 1.696 1.00 0.00 H new ATOM 769 N LEU A 50 -6.619 -14.568 2.671 1.00 0.00 N ATOM 770 CA LEU A 50 -7.006 -14.000 3.951 1.00 0.00 C ATOM 771 C LEU A 50 -8.458 -14.375 4.253 1.00 0.00 C ATOM 772 O LEU A 50 -9.191 -13.597 4.862 1.00 0.00 O ATOM 773 CB LEU A 50 -6.744 -12.493 3.970 1.00 0.00 C ATOM 774 CG LEU A 50 -5.276 -12.066 3.901 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.149 -10.605 3.466 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.565 -12.332 5.230 1.00 0.00 C ATOM 0 H LEU A 50 -6.824 -13.980 1.864 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.395 -14.417 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.273 -12.042 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.179 -12.080 4.880 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.780 -12.672 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.096 -10.328 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.596 -10.479 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.665 -9.966 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.523 -12.020 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.056 -11.769 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.609 -13.397 5.459 1.00 0.00 H new ATOM 788 N GLY A 51 -8.831 -15.568 3.813 1.00 0.00 N ATOM 789 CA GLY A 51 -10.183 -16.056 4.028 1.00 0.00 C ATOM 790 C GLY A 51 -11.213 -14.961 3.743 1.00 0.00 C ATOM 791 O GLY A 51 -12.295 -14.954 4.328 1.00 0.00 O ATOM 0 H GLY A 51 -8.221 -16.211 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.371 -16.914 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.289 -16.402 5.056 1.00 0.00 H new ATOM 795 N PHE A 52 -10.840 -14.062 2.844 1.00 0.00 N ATOM 796 CA PHE A 52 -11.718 -12.965 2.474 1.00 0.00 C ATOM 797 C PHE A 52 -12.450 -13.266 1.164 1.00 0.00 C ATOM 798 O PHE A 52 -11.864 -13.818 0.235 1.00 0.00 O ATOM 799 CB PHE A 52 -10.835 -11.731 2.279 1.00 0.00 C ATOM 800 CG PHE A 52 -10.703 -10.857 3.528 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.863 -11.406 4.762 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.425 -9.532 3.404 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.740 -10.595 5.921 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.303 -8.720 4.563 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.463 -9.269 5.797 1.00 0.00 C ATOM 0 H PHE A 52 -9.942 -14.071 2.361 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.467 -12.810 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.842 -12.053 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.244 -11.129 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.084 -12.459 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.297 -9.097 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.866 -11.031 6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.083 -7.667 4.464 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.370 -8.652 6.679 1.00 0.00 H new ATOM 815 N ASP A 53 -13.720 -12.889 1.133 1.00 0.00 N ATOM 816 CA ASP A 53 -14.537 -13.111 -0.047 1.00 0.00 C ATOM 817 C ASP A 53 -15.728 -12.151 -0.026 1.00 0.00 C ATOM 818 O ASP A 53 -15.829 -11.262 -0.870 1.00 0.00 O ATOM 819 CB ASP A 53 -15.083 -14.540 -0.078 1.00 0.00 C ATOM 820 CG ASP A 53 -15.260 -15.135 -1.477 1.00 0.00 C ATOM 821 OD1 ASP A 53 -16.110 -14.685 -2.259 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.468 -16.114 -1.757 1.00 0.00 O ATOM 0 H ASP A 53 -14.203 -12.431 1.906 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.913 -12.944 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.411 -15.182 0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.046 -14.556 0.432 1.00 0.00 H new ATOM 828 N SER A 54 -16.601 -12.363 0.949 1.00 0.00 N ATOM 829 CA SER A 54 -17.781 -11.527 1.091 1.00 0.00 C ATOM 830 C SER A 54 -17.893 -11.021 2.531 1.00 0.00 C ATOM 831 O SER A 54 -17.514 -9.888 2.826 1.00 0.00 O ATOM 832 CB SER A 54 -19.047 -12.290 0.697 1.00 0.00 C ATOM 833 OG SER A 54 -19.099 -12.552 -0.702 1.00 0.00 O ATOM 0 H SER A 54 -16.514 -13.101 1.648 1.00 0.00 H new ATOM 0 HA SER A 54 -17.679 -10.674 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.087 -13.232 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.924 -11.713 0.991 1.00 0.00 H new ATOM 0 HG SER A 54 -19.921 -13.042 -0.913 1.00 0.00 H new ATOM 839 N LEU A 55 -18.415 -11.885 3.389 1.00 0.00 N ATOM 840 CA LEU A 55 -18.581 -11.539 4.791 1.00 0.00 C ATOM 841 C LEU A 55 -17.343 -10.781 5.275 1.00 0.00 C ATOM 842 O LEU A 55 -17.438 -9.623 5.677 1.00 0.00 O ATOM 843 CB LEU A 55 -18.900 -12.787 5.616 1.00 0.00 C ATOM 844 CG LEU A 55 -20.189 -12.736 6.439 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.273 -13.616 5.814 1.00 0.00 C ATOM 846 CD2 LEU A 55 -19.923 -13.105 7.899 1.00 0.00 C ATOM 0 H LEU A 55 -18.728 -12.823 3.141 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.434 -10.873 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.958 -13.640 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.067 -12.973 6.294 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.560 -11.711 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.179 -13.562 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.489 -13.266 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.925 -14.648 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.856 -13.061 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.516 -14.115 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.208 -12.403 8.327 1.00 0.00 H new ATOM 858 N ALA A 56 -16.211 -11.467 5.222 1.00 0.00 N ATOM 859 CA ALA A 56 -14.956 -10.873 5.650 1.00 0.00 C ATOM 860 C ALA A 56 -14.678 -9.620 4.816 1.00 0.00 C ATOM 861 O ALA A 56 -14.055 -8.675 5.297 1.00 0.00 O ATOM 862 CB ALA A 56 -13.835 -11.909 5.537 1.00 0.00 C ATOM 0 H ALA A 56 -16.137 -12.428 4.889 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.013 -10.567 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.894 -11.463 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.066 -12.765 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.746 -12.237 4.501 1.00 0.00 H new ATOM 868 N ALA A 57 -15.154 -9.654 3.580 1.00 0.00 N ATOM 869 CA ALA A 57 -14.965 -8.533 2.675 1.00 0.00 C ATOM 870 C ALA A 57 -15.812 -7.351 3.150 1.00 0.00 C ATOM 871 O ALA A 57 -15.450 -6.196 2.930 1.00 0.00 O ATOM 872 CB ALA A 57 -15.314 -8.965 1.249 1.00 0.00 C ATOM 0 H ALA A 57 -15.670 -10.440 3.184 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.923 -8.212 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.173 -8.125 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.665 -9.788 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.353 -9.291 1.212 1.00 0.00 H new ATOM 878 N VAL A 58 -16.923 -7.680 3.792 1.00 0.00 N ATOM 879 CA VAL A 58 -17.824 -6.660 4.300 1.00 0.00 C ATOM 880 C VAL A 58 -17.424 -6.299 5.732 1.00 0.00 C ATOM 881 O VAL A 58 -17.724 -5.205 6.208 1.00 0.00 O ATOM 882 CB VAL A 58 -19.273 -7.137 4.187 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.152 -6.480 5.253 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.827 -6.879 2.784 1.00 0.00 C ATOM 0 H VAL A 58 -17.220 -8.639 3.972 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.747 -5.752 3.702 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.286 -8.213 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.177 -6.837 5.150 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.776 -6.737 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.130 -5.398 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.858 -7.227 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.793 -5.811 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.225 -7.415 2.051 1.00 0.00 H new ATOM 894 N ARG A 59 -16.752 -7.240 6.380 1.00 0.00 N ATOM 895 CA ARG A 59 -16.308 -7.035 7.748 1.00 0.00 C ATOM 896 C ARG A 59 -15.147 -6.038 7.785 1.00 0.00 C ATOM 897 O ARG A 59 -14.961 -5.335 8.777 1.00 0.00 O ATOM 898 CB ARG A 59 -15.860 -8.352 8.384 1.00 0.00 C ATOM 899 CG ARG A 59 -16.314 -8.439 9.843 1.00 0.00 C ATOM 900 CD ARG A 59 -17.373 -9.529 10.024 1.00 0.00 C ATOM 901 NE ARG A 59 -18.108 -9.315 11.290 1.00 0.00 N ATOM 902 CZ ARG A 59 -18.968 -8.296 11.503 1.00 0.00 C ATOM 903 NH1 ARG A 59 -19.207 -7.387 10.534 1.00 0.00 N ATOM 904 NH2 ARG A 59 -19.571 -8.201 12.674 1.00 0.00 N ATOM 0 H ARG A 59 -16.504 -8.146 5.983 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.150 -6.639 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.271 -9.190 7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.774 -8.434 8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.457 -8.650 10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.719 -7.478 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.068 -9.516 9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.899 -10.511 10.030 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.956 -9.979 12.049 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.736 -7.467 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.858 -6.620 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.384 -8.891 13.401 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.223 -7.437 12.851 1.00 0.00 H new ATOM 917 N LEU A 60 -14.398 -6.010 6.693 1.00 0.00 N ATOM 918 CA LEU A 60 -13.261 -5.111 6.589 1.00 0.00 C ATOM 919 C LEU A 60 -13.718 -3.787 5.975 1.00 0.00 C ATOM 920 O LEU A 60 -13.139 -2.738 6.251 1.00 0.00 O ATOM 921 CB LEU A 60 -12.117 -5.781 5.825 1.00 0.00 C ATOM 922 CG LEU A 60 -10.965 -4.866 5.404 1.00 0.00 C ATOM 923 CD1 LEU A 60 -9.884 -4.813 6.485 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.399 -5.286 4.046 1.00 0.00 C ATOM 0 H LEU A 60 -14.556 -6.595 5.873 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.863 -4.883 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.712 -6.581 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.529 -6.249 4.931 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.356 -3.855 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.077 -4.156 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.314 -4.430 7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.490 -5.815 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.582 -4.619 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.028 -6.309 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.184 -5.229 3.291 1.00 0.00 H new ATOM 936 N ARG A 61 -14.753 -3.878 5.153 1.00 0.00 N ATOM 937 CA ARG A 61 -15.295 -2.700 4.497 1.00 0.00 C ATOM 938 C ARG A 61 -16.063 -1.839 5.503 1.00 0.00 C ATOM 939 O ARG A 61 -16.173 -0.627 5.330 1.00 0.00 O ATOM 940 CB ARG A 61 -16.230 -3.089 3.350 1.00 0.00 C ATOM 941 CG ARG A 61 -17.681 -3.168 3.829 1.00 0.00 C ATOM 942 CD ARG A 61 -18.365 -1.803 3.733 1.00 0.00 C ATOM 943 NE ARG A 61 -19.573 -1.901 2.884 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.566 -1.775 1.540 1.00 0.00 C ATOM 945 NH1 ARG A 61 -18.411 -1.545 0.880 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.704 -1.880 0.880 1.00 0.00 N ATOM 0 H ARG A 61 -15.231 -4.750 4.926 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.458 -2.132 4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.148 -2.358 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.926 -4.052 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.227 -3.895 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.709 -3.521 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.638 -1.453 4.729 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.675 -1.070 3.315 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.467 -2.075 3.343 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.535 -1.465 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.414 -1.451 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.573 -2.054 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.715 -1.787 -0.136 1.00 0.00 H new ATOM 959 N ASN A 62 -16.574 -2.501 6.531 1.00 0.00 N ATOM 960 CA ASN A 62 -17.328 -1.811 7.564 1.00 0.00 C ATOM 961 C ASN A 62 -16.358 -1.218 8.587 1.00 0.00 C ATOM 962 O ASN A 62 -16.696 -0.266 9.289 1.00 0.00 O ATOM 963 CB ASN A 62 -18.262 -2.774 8.300 1.00 0.00 C ATOM 964 CG ASN A 62 -19.726 -2.476 7.972 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.472 -1.938 8.773 1.00 0.00 O ATOM 966 ND2 ASN A 62 -20.095 -2.855 6.751 1.00 0.00 N ATOM 0 H ASN A 62 -16.481 -3.507 6.671 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.919 -1.030 7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.025 -3.801 8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.102 -2.691 9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -21.053 -2.700 6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.420 -3.301 6.130 1.00 0.00 H new ATOM 973 N LEU A 63 -15.172 -1.805 8.641 1.00 0.00 N ATOM 974 CA LEU A 63 -14.151 -1.347 9.567 1.00 0.00 C ATOM 975 C LEU A 63 -13.330 -0.238 8.906 1.00 0.00 C ATOM 976 O LEU A 63 -13.075 0.799 9.518 1.00 0.00 O ATOM 977 CB LEU A 63 -13.308 -2.524 10.061 1.00 0.00 C ATOM 978 CG LEU A 63 -12.798 -2.427 11.500 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.450 -3.810 12.053 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.618 -1.457 11.599 1.00 0.00 C ATOM 0 H LEU A 63 -14.895 -2.595 8.058 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.610 -0.918 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.900 -3.434 9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.449 -2.633 9.399 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.599 -2.025 12.120 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.090 -3.712 13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.338 -4.441 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.673 -4.263 11.437 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.274 -1.406 12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.805 -1.807 10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.933 -0.466 11.272 1.00 0.00 H new ATOM 992 N LEU A 64 -12.939 -0.493 7.666 1.00 0.00 N ATOM 993 CA LEU A 64 -12.153 0.471 6.916 1.00 0.00 C ATOM 994 C LEU A 64 -12.941 1.776 6.787 1.00 0.00 C ATOM 995 O LEU A 64 -12.374 2.818 6.461 1.00 0.00 O ATOM 996 CB LEU A 64 -11.719 -0.120 5.573 1.00 0.00 C ATOM 997 CG LEU A 64 -10.478 -1.015 5.604 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.021 -1.367 4.187 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.359 -0.373 6.425 1.00 0.00 C ATOM 0 H LEU A 64 -13.152 -1.354 7.162 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.231 0.706 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.549 -0.698 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.534 0.701 4.880 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.743 -1.950 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.138 -2.004 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.820 -1.896 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.779 -0.453 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.489 -1.030 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.087 0.585 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.702 -0.216 7.448 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.235 1.677 7.052 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.107 2.837 6.970 1.00 0.00 C ATOM 1013 C ASN A 65 -14.599 3.919 7.925 1.00 0.00 C ATOM 1014 O ASN A 65 -14.967 5.086 7.797 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.538 2.480 7.376 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.401 2.190 6.147 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.915 1.848 5.082 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.706 2.346 6.353 1.00 0.00 N ATOM 0 H ASN A 65 -14.701 0.811 7.324 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.103 3.190 5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.527 1.609 8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.974 3.301 7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.366 2.177 5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.047 2.635 7.270 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.763 3.493 8.860 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.202 4.412 9.836 1.00 0.00 C ATOM 1027 C ALA A 66 -11.733 4.673 9.498 1.00 0.00 C ATOM 1028 O ALA A 66 -10.958 5.088 10.359 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.383 3.836 11.242 1.00 0.00 C ATOM 0 H ALA A 66 -13.461 2.524 8.963 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.723 5.369 9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.962 4.525 11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.445 3.696 11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.871 2.876 11.311 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.393 4.420 8.242 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.031 4.623 7.780 1.00 0.00 C ATOM 1037 C ALA A 67 -10.055 5.393 6.457 1.00 0.00 C ATOM 1038 O ALA A 67 -9.037 5.493 5.775 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.327 3.270 7.654 1.00 0.00 C ATOM 0 H ALA A 67 -12.038 4.076 7.530 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.467 5.218 8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.305 3.423 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.311 2.776 8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.863 2.646 6.939 1.00 0.00 H new ATOM 1045 N THR A 68 -11.229 5.916 6.135 1.00 0.00 N ATOM 1046 CA THR A 68 -11.399 6.673 4.907 1.00 0.00 C ATOM 1047 C THR A 68 -12.440 7.777 5.101 1.00 0.00 C ATOM 1048 O THR A 68 -12.167 8.947 4.835 1.00 0.00 O ATOM 1049 CB THR A 68 -11.757 5.690 3.791 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.537 4.692 4.445 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.538 4.927 3.269 1.00 0.00 C ATOM 0 H THR A 68 -12.072 5.830 6.703 1.00 0.00 H new ATOM 0 HA THR A 68 -10.478 7.184 4.627 1.00 0.00 H new ATOM 0 HB THR A 68 -12.226 6.230 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.470 4.763 4.154 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.848 4.243 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.809 5.634 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.088 4.360 4.084 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.612 7.367 5.563 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.695 8.307 5.796 1.00 0.00 C ATOM 1061 C GLY A 69 -15.867 8.039 4.849 1.00 0.00 C ATOM 1062 O GLY A 69 -16.854 8.773 4.853 1.00 0.00 O ATOM 0 H GLY A 69 -13.835 6.396 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.033 8.229 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.334 9.326 5.654 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.720 6.984 4.061 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.753 6.609 3.111 1.00 0.00 C ATOM 1068 C LEU A 70 -17.213 5.179 3.401 1.00 0.00 C ATOM 1069 O LEU A 70 -16.701 4.532 4.313 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.264 6.819 1.676 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.780 6.546 1.427 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.532 5.059 1.167 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.243 7.423 0.294 1.00 0.00 C ATOM 0 H LEU A 70 -14.900 6.377 4.061 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.625 7.253 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.847 6.176 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.477 7.848 1.387 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.228 6.812 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.469 4.892 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.853 4.480 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.097 4.744 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.186 7.209 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.795 7.213 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.365 8.473 0.558 1.00 0.00 H new ATOM 1085 N ARG A 71 -18.172 4.727 2.606 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.706 3.385 2.766 1.00 0.00 C ATOM 1087 C ARG A 71 -17.817 2.371 2.044 1.00 0.00 C ATOM 1088 O ARG A 71 -18.127 1.181 2.010 1.00 0.00 O ATOM 1089 CB ARG A 71 -20.129 3.289 2.215 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.201 3.830 0.785 1.00 0.00 C ATOM 1091 CD ARG A 71 -20.816 2.797 -0.162 1.00 0.00 C ATOM 1092 NE ARG A 71 -20.264 2.968 -1.524 1.00 0.00 N ATOM 1093 CZ ARG A 71 -20.740 2.337 -2.618 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -21.783 1.485 -2.519 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -20.171 2.564 -3.787 1.00 0.00 N ATOM 0 H ARG A 71 -18.593 5.266 1.849 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.726 3.161 3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.460 2.251 2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.809 3.851 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.795 4.744 0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.201 4.094 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -20.608 1.790 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.900 2.910 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.474 3.602 -1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.218 1.314 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -22.136 1.012 -3.351 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.383 3.208 -3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.519 2.095 -4.623 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.729 2.879 1.484 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.792 2.032 0.764 1.00 0.00 C ATOM 1110 C LEU A 72 -16.534 1.292 -0.351 1.00 0.00 C ATOM 1111 O LEU A 72 -17.747 1.101 -0.274 1.00 0.00 O ATOM 1112 CB LEU A 72 -15.055 1.104 1.733 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.766 1.659 2.342 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.992 2.107 3.788 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.625 0.647 2.228 1.00 0.00 C ATOM 0 H LEU A 72 -16.475 3.866 1.514 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.020 2.636 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.735 0.845 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.817 0.179 1.209 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.472 2.541 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.060 2.497 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.754 2.886 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.323 1.257 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.721 1.067 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.895 -0.267 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.445 0.419 1.178 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.754 0.885 -1.388 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.324 0.171 -2.518 1.00 0.00 C ATOM 1129 C PRO A 73 -16.644 -1.278 -2.145 1.00 0.00 C ATOM 1130 O PRO A 73 -16.013 -1.849 -1.257 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.284 0.284 -3.620 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.982 0.652 -2.929 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.315 1.094 -1.512 1.00 0.00 C ATOM 0 HA PRO A 73 -17.276 0.590 -2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.186 -0.656 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.568 1.044 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.304 -0.201 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.476 1.452 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.765 0.509 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.051 2.139 -1.351 1.00 0.00 H new ATOM 1141 N SER A 74 -17.626 -1.832 -2.842 1.00 0.00 N ATOM 1142 CA SER A 74 -18.038 -3.204 -2.595 1.00 0.00 C ATOM 1143 C SER A 74 -17.036 -4.172 -3.228 1.00 0.00 C ATOM 1144 O SER A 74 -16.918 -5.318 -2.795 1.00 0.00 O ATOM 1145 CB SER A 74 -19.444 -3.463 -3.140 1.00 0.00 C ATOM 1146 OG SER A 74 -19.495 -3.353 -4.560 1.00 0.00 O ATOM 0 H SER A 74 -18.148 -1.356 -3.577 1.00 0.00 H new ATOM 0 HA SER A 74 -18.060 -3.367 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.771 -4.459 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.141 -2.753 -2.696 1.00 0.00 H new ATOM 0 HG SER A 74 -20.409 -3.527 -4.869 1.00 0.00 H new ATOM 1152 N THR A 75 -16.342 -3.677 -4.241 1.00 0.00 N ATOM 1153 CA THR A 75 -15.355 -4.485 -4.937 1.00 0.00 C ATOM 1154 C THR A 75 -13.968 -4.280 -4.323 1.00 0.00 C ATOM 1155 O THR A 75 -12.986 -4.852 -4.793 1.00 0.00 O ATOM 1156 CB THR A 75 -15.418 -4.131 -6.425 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.801 -2.849 -6.503 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.849 -3.886 -6.908 1.00 0.00 C ATOM 0 H THR A 75 -16.443 -2.727 -4.597 1.00 0.00 H new ATOM 0 HA THR A 75 -15.569 -5.548 -4.831 1.00 0.00 H new ATOM 0 HB THR A 75 -14.970 -4.935 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.797 -2.544 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.837 -3.639 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.445 -4.785 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.286 -3.059 -6.348 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.933 -3.462 -3.281 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.684 -3.174 -2.597 1.00 0.00 C ATOM 1168 C LEU A 76 -11.921 -4.481 -2.367 1.00 0.00 C ATOM 1169 O LEU A 76 -10.725 -4.562 -2.643 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.945 -2.381 -1.315 1.00 0.00 C ATOM 1171 CG LEU A 76 -13.127 -3.207 -0.041 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.775 -3.623 0.541 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -13.984 -2.457 0.981 1.00 0.00 C ATOM 0 H LEU A 76 -14.750 -2.990 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.050 -2.538 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.114 -1.692 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.839 -1.775 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.661 -4.121 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.933 -4.209 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.233 -4.223 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.193 -2.733 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -14.098 -3.066 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.500 -1.516 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.966 -2.254 0.553 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.645 -5.470 -1.864 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.051 -6.768 -1.594 1.00 0.00 C ATOM 1187 C VAL A 77 -12.201 -7.660 -2.828 1.00 0.00 C ATOM 1188 O VAL A 77 -12.424 -8.863 -2.706 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.675 -7.378 -0.337 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.184 -8.811 -0.120 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.393 -6.510 0.891 1.00 0.00 C ATOM 0 H VAL A 77 -13.637 -5.399 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.984 -6.665 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.755 -7.413 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.643 -9.221 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.459 -9.424 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.100 -8.811 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.847 -6.966 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.316 -6.429 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.814 -5.516 0.739 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.073 -7.035 -3.989 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.192 -7.756 -5.245 1.00 0.00 C ATOM 1203 C PHE A 78 -11.231 -7.194 -6.294 1.00 0.00 C ATOM 1204 O PHE A 78 -10.579 -7.949 -7.013 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.629 -7.569 -5.734 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.315 -8.868 -6.163 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.926 -9.499 -7.303 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.315 -9.391 -5.403 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.562 -10.704 -7.700 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.951 -10.597 -5.801 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.562 -11.228 -6.941 1.00 0.00 C ATOM 0 H PHE A 78 -11.888 -6.037 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.947 -8.807 -5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.215 -7.106 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.628 -6.876 -6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.133 -9.083 -7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.625 -8.890 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.252 -11.205 -8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.744 -11.013 -5.198 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.047 -12.145 -7.244 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.173 -5.871 -6.348 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.303 -5.198 -7.297 1.00 0.00 C ATOM 1223 C ASP A 79 -8.907 -5.052 -6.687 1.00 0.00 C ATOM 1224 O ASP A 79 -7.967 -4.649 -7.370 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.824 -3.798 -7.626 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.865 -3.456 -9.117 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.380 -4.232 -9.936 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -10.332 -2.325 -9.431 1.00 0.00 O ATOM 0 H ASP A 79 -11.715 -5.247 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.273 -5.795 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.829 -3.696 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.197 -3.065 -7.118 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.817 -5.387 -5.409 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.552 -5.297 -4.699 1.00 0.00 C ATOM 1236 C HIS A 80 -6.968 -6.699 -4.513 1.00 0.00 C ATOM 1237 O HIS A 80 -7.446 -7.469 -3.681 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.722 -4.545 -3.378 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.542 -5.409 -2.152 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.353 -6.053 -1.857 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -8.411 -5.726 -1.150 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.511 -6.726 -0.727 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.787 -6.523 -0.290 1.00 0.00 N ATOM 0 H HIS A 80 -9.599 -5.721 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.840 -4.719 -5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.003 -3.727 -3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.715 -4.097 -3.352 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.500 -6.016 -2.415 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.433 -5.387 -1.069 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.761 -7.330 -0.238 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.916 -6.996 -5.322 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.262 -8.292 -5.255 1.00 0.00 C ATOM 1253 C PRO A 81 -4.378 -8.396 -4.010 1.00 0.00 C ATOM 1254 O PRO A 81 -4.216 -9.478 -3.448 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.478 -8.405 -6.552 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.346 -6.987 -7.084 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.324 -6.110 -6.320 1.00 0.00 C ATOM 0 HA PRO A 81 -5.969 -9.116 -5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.498 -8.850 -6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.996 -9.044 -7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.326 -6.624 -6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.561 -6.958 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.817 -5.268 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.084 -5.695 -6.982 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.830 -7.256 -3.616 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.967 -7.204 -2.449 1.00 0.00 C ATOM 1267 C ASN A 82 -3.211 -5.895 -1.696 1.00 0.00 C ATOM 1268 O ASN A 82 -3.911 -5.012 -2.190 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.492 -7.250 -2.852 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.339 -7.246 -4.375 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.546 -6.246 -5.043 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.966 -8.416 -4.884 1.00 0.00 N ATOM 0 H ASN A 82 -3.967 -6.361 -4.085 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.197 -8.066 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.969 -6.393 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.026 -8.144 -2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.836 -8.516 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.809 -9.214 -4.268 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.620 -5.810 -0.513 1.00 0.00 N ATOM 1280 CA ALA A 83 -2.765 -4.624 0.312 1.00 0.00 C ATOM 1281 C ALA A 83 -2.158 -3.423 -0.417 1.00 0.00 C ATOM 1282 O ALA A 83 -2.811 -2.393 -0.574 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.114 -4.867 1.676 1.00 0.00 C ATOM 0 H ALA A 83 -2.040 -6.544 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.818 -4.406 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.223 -3.976 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.600 -5.711 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.055 -5.087 1.540 1.00 0.00 H new ATOM 1289 N SER A 84 -0.915 -3.596 -0.842 1.00 0.00 N ATOM 1290 CA SER A 84 -0.213 -2.540 -1.551 1.00 0.00 C ATOM 1291 C SER A 84 -1.105 -1.967 -2.654 1.00 0.00 C ATOM 1292 O SER A 84 -0.937 -0.818 -3.059 1.00 0.00 O ATOM 1293 CB SER A 84 1.101 -3.053 -2.143 1.00 0.00 C ATOM 1294 OG SER A 84 2.211 -2.244 -1.763 1.00 0.00 O ATOM 0 H SER A 84 -0.376 -4.452 -0.709 1.00 0.00 H new ATOM 0 HA SER A 84 0.025 -1.750 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.271 -4.078 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.024 -3.075 -3.230 1.00 0.00 H new ATOM 0 HG SER A 84 3.031 -2.606 -2.160 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.033 -2.796 -3.110 1.00 0.00 N ATOM 1301 CA ALA A 85 -2.952 -2.386 -4.159 1.00 0.00 C ATOM 1302 C ALA A 85 -4.197 -1.763 -3.525 1.00 0.00 C ATOM 1303 O ALA A 85 -4.797 -0.852 -4.093 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.287 -3.589 -5.042 1.00 0.00 C ATOM 0 H ALA A 85 -2.168 -3.749 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.494 -1.630 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.976 -3.282 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.373 -3.976 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.751 -4.367 -4.436 1.00 0.00 H new ATOM 1310 N VAL A 86 -4.549 -2.280 -2.357 1.00 0.00 N ATOM 1311 CA VAL A 86 -5.713 -1.786 -1.640 1.00 0.00 C ATOM 1312 C VAL A 86 -5.468 -0.335 -1.218 1.00 0.00 C ATOM 1313 O VAL A 86 -6.307 0.533 -1.453 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.030 -2.706 -0.460 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -5.546 -2.096 0.857 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.525 -3.025 -0.400 1.00 0.00 C ATOM 0 H VAL A 86 -4.049 -3.036 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.591 -1.794 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.493 -3.643 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.784 -2.770 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.468 -1.944 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.041 -1.138 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.723 -3.681 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.090 -2.100 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.828 -3.522 -1.322 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.315 -0.118 -0.603 1.00 0.00 N ATOM 1327 CA ALA A 87 -3.950 1.212 -0.146 1.00 0.00 C ATOM 1328 C ALA A 87 -4.195 2.219 -1.272 1.00 0.00 C ATOM 1329 O ALA A 87 -4.728 3.302 -1.036 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.495 1.208 0.326 1.00 0.00 C ATOM 0 H ALA A 87 -3.621 -0.841 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.567 1.509 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.221 2.206 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.380 0.498 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.845 0.917 -0.500 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.793 1.825 -2.472 1.00 0.00 N ATOM 1337 CA GLY A 88 -3.962 2.679 -3.635 1.00 0.00 C ATOM 1338 C GLY A 88 -5.444 2.934 -3.917 1.00 0.00 C ATOM 1339 O GLY A 88 -5.873 4.083 -4.015 1.00 0.00 O ATOM 0 H GLY A 88 -3.351 0.926 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.451 3.628 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.498 2.212 -4.504 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.187 1.844 -4.040 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.612 1.935 -4.309 1.00 0.00 C ATOM 1345 C PHE A 89 -8.285 2.935 -3.366 1.00 0.00 C ATOM 1346 O PHE A 89 -9.148 3.705 -3.786 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.203 0.545 -4.064 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.253 0.502 -2.952 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.343 1.313 -3.014 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.096 -0.347 -1.901 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.318 1.273 -1.982 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.071 -0.386 -0.869 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.161 0.424 -0.932 1.00 0.00 C ATOM 0 H PHE A 89 -5.829 0.893 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.777 2.273 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.653 0.185 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.395 -0.143 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.467 1.988 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.230 -0.991 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.184 1.917 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.946 -1.059 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.903 0.393 -0.147 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.864 2.892 -2.111 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.415 3.785 -1.106 1.00 0.00 C ATOM 1365 C LEU A 90 -7.839 5.188 -1.305 1.00 0.00 C ATOM 1366 O LEU A 90 -8.585 6.159 -1.422 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.186 3.219 0.297 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.292 2.314 0.845 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -8.939 1.802 2.243 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.646 3.026 0.820 1.00 0.00 C ATOM 0 H LEU A 90 -7.148 2.253 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.496 3.865 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.253 2.656 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.052 4.053 0.986 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.374 1.443 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.741 1.161 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.011 1.232 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.813 2.648 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.414 2.361 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.595 3.926 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.895 3.299 -0.206 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.516 5.250 -1.337 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.830 6.518 -1.519 1.00 0.00 C ATOM 1384 C ASP A 91 -6.492 7.291 -2.662 1.00 0.00 C ATOM 1385 O ASP A 91 -6.862 8.452 -2.498 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.360 6.302 -1.885 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.404 7.388 -1.388 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.578 7.153 -0.494 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.533 8.534 -1.967 1.00 0.00 O ATOM 0 H ASP A 91 -5.901 4.442 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.891 7.072 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.038 5.342 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.277 6.235 -2.970 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.623 6.614 -3.794 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.234 7.223 -4.963 1.00 0.00 C ATOM 1397 C ALA A 92 -8.661 7.654 -4.621 1.00 0.00 C ATOM 1398 O ALA A 92 -9.137 8.680 -5.105 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.187 6.239 -6.134 1.00 0.00 C ATOM 0 H ALA A 92 -6.316 5.650 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.684 8.115 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.645 6.695 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.150 5.987 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.732 5.333 -5.870 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.305 6.848 -3.789 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.669 7.134 -3.376 1.00 0.00 C ATOM 1407 C GLU A 93 -10.696 8.333 -2.426 1.00 0.00 C ATOM 1408 O GLU A 93 -11.693 9.050 -2.355 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.314 5.907 -2.729 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.710 6.237 -2.196 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.760 5.295 -2.788 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.405 5.637 -3.791 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.895 4.172 -2.169 1.00 0.00 O ATOM 0 H GLU A 93 -8.908 5.997 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.251 7.385 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.381 5.100 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.685 5.549 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.716 6.157 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.962 7.269 -2.441 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.589 8.513 -1.720 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.474 9.613 -0.778 1.00 0.00 C ATOM 1423 C LEU A 94 -8.901 10.837 -1.496 1.00 0.00 C ATOM 1424 O LEU A 94 -9.069 11.965 -1.037 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.665 9.185 0.448 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.225 8.002 1.241 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.132 7.340 2.082 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -10.422 8.429 2.092 1.00 0.00 C ATOM 0 H LEU A 94 -8.764 7.916 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.457 9.896 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.655 8.934 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.580 10.040 1.119 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.584 7.255 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.556 6.502 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.339 6.978 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.721 8.067 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.800 7.569 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.112 9.204 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.208 8.819 1.445 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.236 10.571 -2.611 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.637 11.636 -3.397 1.00 0.00 C ATOM 1442 C GLY A 95 -8.148 11.607 -4.839 1.00 0.00 C ATOM 1443 O GLY A 95 -7.478 11.084 -5.728 1.00 0.00 O ATOM 0 H GLY A 95 -8.099 9.633 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.868 12.601 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.552 11.532 -3.390 1.00 0.00 H new TER 1447 GLY A 95