USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 867 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 31 ASN : amide:sc= -0.567 K(o=-4.2,f=-7.2!) USER MOD Set 1.2: A 32 ASN : amide:sc= -0.219 K(o=-4.2,f=-3) USER MOD Set 1.3: A 115 ASN : amide:sc= -3.37 K(o=-4.2,f=-3) USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0.296 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.421 (180deg=-1.05) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0483) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -38:sc= -0.183! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 26 SER OG : rot 160:sc=-0.00657 USER MOD Single : A 29 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-0.61) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0.016 USER MOD Single : A 46 SER OG : rot -56:sc= 0.0226 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.98) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -90:sc= 0.0321 USER MOD Single : A 62 GLN : amide:sc= 0.185 X(o=0.18,f=0) USER MOD Single : A 63 HIS : no HD1:sc=-0.00549 X(o=-0.0055,f=-0.013) USER MOD Single : A 64 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.99) USER MOD Single : A 73 MET CE :methyl 163:sc= -0.325 (180deg=-0.965) USER MOD Single : A 84 SER OG : rot 160:sc= -1.12 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.7) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.564 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 32:sc= 0.0934 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0663 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.077 -1.216 -1.043 1.00 41.51 N ATOM 2 CA MET A 1 -0.087 -1.116 -2.109 1.00 41.21 C ATOM 3 C MET A 1 -0.719 -0.578 -3.389 1.00 45.11 C ATOM 4 O MET A 1 -0.904 -1.300 -4.369 1.00 13.10 O ATOM 5 CB MET A 1 0.547 -2.483 -2.375 1.00 3.52 C ATOM 6 CG MET A 1 1.589 -2.880 -1.342 1.00 20.23 C ATOM 7 SD MET A 1 0.860 -3.638 0.123 1.00 25.12 S ATOM 8 CE MET A 1 1.705 -5.218 0.143 1.00 51.52 C ATOM 0 H1 MET A 1 -0.889 -2.066 -0.474 1.00 41.51 H new ATOM 0 H2 MET A 1 -1.020 -0.373 -0.436 1.00 41.51 H new ATOM 0 H3 MET A 1 -2.029 -1.281 -1.458 1.00 41.51 H new ATOM 0 HA MET A 1 0.688 -0.420 -1.787 1.00 41.21 H new ATOM 0 HB2 MET A 1 -0.237 -3.240 -2.398 1.00 3.52 H new ATOM 0 HB3 MET A 1 1.010 -2.474 -3.362 1.00 3.52 H new ATOM 0 HG2 MET A 1 2.296 -3.576 -1.793 1.00 20.23 H new ATOM 0 HG3 MET A 1 2.156 -1.998 -1.046 1.00 20.23 H new ATOM 0 HE1 MET A 1 1.360 -5.804 0.995 1.00 51.52 H new ATOM 0 HE2 MET A 1 1.490 -5.757 -0.779 1.00 51.52 H new ATOM 0 HE3 MET A 1 2.780 -5.055 0.226 1.00 51.52 H new ATOM 18 N PRO A 2 -1.057 0.720 -3.383 1.00 34.20 N ATOM 19 CA PRO A 2 -1.673 1.383 -4.536 1.00 72.33 C ATOM 20 C PRO A 2 -0.702 1.541 -5.701 1.00 4.12 C ATOM 21 O PRO A 2 0.382 0.955 -5.703 1.00 74.42 O ATOM 22 CB PRO A 2 -2.075 2.753 -3.985 1.00 71.01 C ATOM 23 CG PRO A 2 -1.143 2.992 -2.847 1.00 75.43 C ATOM 24 CD PRO A 2 -0.865 1.640 -2.250 1.00 0.23 C ATOM 0 HA PRO A 2 -2.508 0.809 -4.938 1.00 72.33 H new ATOM 0 HB2 PRO A 2 -1.979 3.529 -4.745 1.00 71.01 H new ATOM 0 HB3 PRO A 2 -3.113 2.757 -3.654 1.00 71.01 H new ATOM 0 HG2 PRO A 2 -0.222 3.465 -3.189 1.00 75.43 H new ATOM 0 HG3 PRO A 2 -1.589 3.660 -2.110 1.00 75.43 H new ATOM 0 HD2 PRO A 2 0.147 1.578 -1.849 1.00 0.23 H new ATOM 0 HD3 PRO A 2 -1.547 1.415 -1.430 1.00 0.23 H new ATOM 32 N LEU A 3 -1.095 2.337 -6.689 1.00 63.01 N ATOM 33 CA LEU A 3 -0.258 2.573 -7.860 1.00 44.23 C ATOM 34 C LEU A 3 -0.116 4.067 -8.136 1.00 75.34 C ATOM 35 O LEU A 3 -1.025 4.848 -7.855 1.00 55.34 O ATOM 36 CB LEU A 3 -0.848 1.870 -9.084 1.00 12.32 C ATOM 37 CG LEU A 3 -0.421 2.420 -10.445 1.00 51.41 C ATOM 38 CD1 LEU A 3 1.050 2.132 -10.700 1.00 2.14 C ATOM 39 CD2 LEU A 3 -1.282 1.830 -11.553 1.00 24.03 C ATOM 0 H LEU A 3 -1.988 2.830 -6.703 1.00 63.01 H new ATOM 0 HA LEU A 3 0.732 2.164 -7.657 1.00 44.23 H new ATOM 0 HB2 LEU A 3 -0.575 0.816 -9.039 1.00 12.32 H new ATOM 0 HB3 LEU A 3 -1.935 1.921 -9.019 1.00 12.32 H new ATOM 0 HG LEU A 3 -0.562 3.501 -10.439 1.00 51.41 H new ATOM 0 HD11 LEU A 3 1.335 2.531 -11.673 1.00 2.14 H new ATOM 0 HD12 LEU A 3 1.653 2.603 -9.924 1.00 2.14 H new ATOM 0 HD13 LEU A 3 1.218 1.055 -10.686 1.00 2.14 H new ATOM 0 HD21 LEU A 3 -0.964 2.233 -12.515 1.00 24.03 H new ATOM 0 HD22 LEU A 3 -1.173 0.745 -11.560 1.00 24.03 H new ATOM 0 HD23 LEU A 3 -2.326 2.089 -11.379 1.00 24.03 H new ATOM 51 N ILE A 4 1.027 4.455 -8.690 1.00 3.21 N ATOM 52 CA ILE A 4 1.285 5.854 -9.007 1.00 44.22 C ATOM 53 C ILE A 4 1.519 6.045 -10.502 1.00 32.10 C ATOM 54 O ILE A 4 2.386 5.401 -11.094 1.00 52.10 O ATOM 55 CB ILE A 4 2.506 6.390 -8.236 1.00 12.51 C ATOM 56 CG1 ILE A 4 2.299 6.221 -6.729 1.00 64.44 C ATOM 57 CG2 ILE A 4 2.750 7.852 -8.581 1.00 62.10 C ATOM 58 CD1 ILE A 4 1.010 6.829 -6.224 1.00 31.42 C ATOM 0 H ILE A 4 1.789 3.821 -8.929 1.00 3.21 H new ATOM 0 HA ILE A 4 0.400 6.414 -8.705 1.00 44.22 H new ATOM 0 HB ILE A 4 3.384 5.815 -8.530 1.00 12.51 H new ATOM 0 HG12 ILE A 4 2.310 5.158 -6.486 1.00 64.44 H new ATOM 0 HG13 ILE A 4 3.137 6.677 -6.202 1.00 64.44 H new ATOM 0 HG21 ILE A 4 3.616 8.217 -8.028 1.00 62.10 H new ATOM 0 HG22 ILE A 4 2.936 7.947 -9.651 1.00 62.10 H new ATOM 0 HG23 ILE A 4 1.873 8.441 -8.311 1.00 62.10 H new ATOM 0 HD11 ILE A 4 0.930 6.671 -5.148 1.00 31.42 H new ATOM 0 HD12 ILE A 4 1.005 7.898 -6.435 1.00 31.42 H new ATOM 0 HD13 ILE A 4 0.164 6.356 -6.724 1.00 31.42 H new ATOM 70 N THR A 5 0.740 6.936 -11.108 1.00 62.12 N ATOM 71 CA THR A 5 0.862 7.213 -12.534 1.00 31.22 C ATOM 72 C THR A 5 1.787 8.397 -12.787 1.00 4.42 C ATOM 73 O THR A 5 1.433 9.545 -12.515 1.00 35.55 O ATOM 74 CB THR A 5 -0.511 7.504 -13.169 1.00 21.22 C ATOM 75 OG1 THR A 5 -1.370 6.368 -13.021 1.00 63.50 O ATOM 76 CG2 THR A 5 -0.363 7.846 -14.644 1.00 34.13 C ATOM 0 H THR A 5 0.018 7.478 -10.633 1.00 62.12 H new ATOM 0 HA THR A 5 1.285 6.320 -12.994 1.00 31.22 H new ATOM 0 HB THR A 5 -0.950 8.360 -12.656 1.00 21.22 H new ATOM 0 HG1 THR A 5 -2.241 6.562 -13.426 1.00 63.50 H new ATOM 0 HG21 THR A 5 -1.345 8.048 -15.071 1.00 34.13 H new ATOM 0 HG22 THR A 5 0.267 8.729 -14.751 1.00 34.13 H new ATOM 0 HG23 THR A 5 0.095 7.007 -15.168 1.00 34.13 H new ATOM 84 N PHE A 6 2.975 8.113 -13.310 1.00 5.02 N ATOM 85 CA PHE A 6 3.953 9.156 -13.599 1.00 73.14 C ATOM 86 C PHE A 6 3.887 9.571 -15.066 1.00 73.23 C ATOM 87 O PHE A 6 3.943 8.729 -15.963 1.00 41.24 O ATOM 88 CB PHE A 6 5.363 8.672 -13.258 1.00 24.43 C ATOM 89 CG PHE A 6 5.580 8.446 -11.789 1.00 23.13 C ATOM 90 CD1 PHE A 6 5.909 9.501 -10.953 1.00 43.13 C ATOM 91 CD2 PHE A 6 5.456 7.178 -11.243 1.00 54.24 C ATOM 92 CE1 PHE A 6 6.109 9.297 -9.601 1.00 22.11 C ATOM 93 CE2 PHE A 6 5.654 6.968 -9.892 1.00 12.11 C ATOM 94 CZ PHE A 6 5.982 8.028 -9.070 1.00 3.42 C ATOM 0 H PHE A 6 3.284 7.169 -13.543 1.00 5.02 H new ATOM 0 HA PHE A 6 3.715 10.023 -12.982 1.00 73.14 H new ATOM 0 HB2 PHE A 6 5.559 7.743 -13.793 1.00 24.43 H new ATOM 0 HB3 PHE A 6 6.086 9.405 -13.616 1.00 24.43 H new ATOM 0 HD1 PHE A 6 6.010 10.495 -11.363 1.00 43.13 H new ATOM 0 HD2 PHE A 6 5.202 6.345 -11.881 1.00 54.24 H new ATOM 0 HE1 PHE A 6 6.364 10.128 -8.960 1.00 22.11 H new ATOM 0 HE2 PHE A 6 5.552 5.975 -9.479 1.00 12.11 H new ATOM 0 HZ PHE A 6 6.139 7.865 -8.014 1.00 3.42 H new ATOM 104 N ILE A 7 3.766 10.873 -15.302 1.00 23.03 N ATOM 105 CA ILE A 7 3.693 11.400 -16.659 1.00 20.12 C ATOM 106 C ILE A 7 5.066 11.845 -17.150 1.00 40.54 C ATOM 107 O ILE A 7 5.876 12.361 -16.380 1.00 35.15 O ATOM 108 CB ILE A 7 2.717 12.588 -16.749 1.00 62.05 C ATOM 109 CG1 ILE A 7 1.387 12.236 -16.080 1.00 62.10 C ATOM 110 CG2 ILE A 7 2.497 12.983 -18.202 1.00 61.11 C ATOM 111 CD1 ILE A 7 1.339 12.588 -14.610 1.00 11.23 C ATOM 0 H ILE A 7 3.716 11.582 -14.571 1.00 23.03 H new ATOM 0 HA ILE A 7 3.328 10.592 -17.293 1.00 20.12 H new ATOM 0 HB ILE A 7 3.152 13.438 -16.223 1.00 62.05 H new ATOM 0 HG12 ILE A 7 0.581 12.757 -16.597 1.00 62.10 H new ATOM 0 HG13 ILE A 7 1.203 11.168 -16.196 1.00 62.10 H new ATOM 0 HG21 ILE A 7 1.805 13.824 -18.250 1.00 61.11 H new ATOM 0 HG22 ILE A 7 3.449 13.270 -18.649 1.00 61.11 H new ATOM 0 HG23 ILE A 7 2.079 12.138 -18.750 1.00 61.11 H new ATOM 0 HD11 ILE A 7 0.367 12.311 -14.201 1.00 11.23 H new ATOM 0 HD12 ILE A 7 2.123 12.047 -14.081 1.00 11.23 H new ATOM 0 HD13 ILE A 7 1.492 13.660 -14.487 1.00 11.23 H new ATOM 123 N SER A 8 5.321 11.645 -18.439 1.00 72.24 N ATOM 124 CA SER A 8 6.597 12.024 -19.034 1.00 51.14 C ATOM 125 C SER A 8 6.496 13.386 -19.714 1.00 53.14 C ATOM 126 O SER A 8 5.410 13.869 -20.036 1.00 33.02 O ATOM 127 CB SER A 8 7.046 10.968 -20.046 1.00 53.35 C ATOM 128 OG SER A 8 8.001 10.090 -19.477 1.00 61.04 O ATOM 0 H SER A 8 4.661 11.223 -19.091 1.00 72.24 H new ATOM 0 HA SER A 8 7.337 12.090 -18.236 1.00 51.14 H new ATOM 0 HB2 SER A 8 6.182 10.398 -20.389 1.00 53.35 H new ATOM 0 HB3 SER A 8 7.473 11.457 -20.921 1.00 53.35 H new ATOM 0 HG SER A 8 8.271 9.424 -20.143 1.00 61.04 H new ATOM 134 N PRO A 9 7.655 14.022 -19.939 1.00 62.34 N ATOM 135 CA PRO A 9 7.725 15.337 -20.584 1.00 22.34 C ATOM 136 C PRO A 9 7.357 15.278 -22.062 1.00 45.03 C ATOM 137 O PRO A 9 7.087 16.305 -22.686 1.00 31.34 O ATOM 138 CB PRO A 9 9.193 15.738 -20.413 1.00 35.31 C ATOM 139 CG PRO A 9 9.926 14.447 -20.286 1.00 14.13 C ATOM 140 CD PRO A 9 8.987 13.505 -19.583 1.00 4.43 C ATOM 0 HA PRO A 9 7.022 16.045 -20.145 1.00 22.34 H new ATOM 0 HB2 PRO A 9 9.549 16.313 -21.268 1.00 35.31 H new ATOM 0 HB3 PRO A 9 9.333 16.361 -19.530 1.00 35.31 H new ATOM 0 HG2 PRO A 9 10.207 14.060 -21.265 1.00 14.13 H new ATOM 0 HG3 PRO A 9 10.847 14.576 -19.718 1.00 14.13 H new ATOM 0 HD2 PRO A 9 9.122 12.477 -19.920 1.00 4.43 H new ATOM 0 HD3 PRO A 9 9.145 13.511 -18.505 1.00 4.43 H new ATOM 148 N ASP A 10 7.349 14.071 -22.618 1.00 3.34 N ATOM 149 CA ASP A 10 7.013 13.879 -24.023 1.00 60.15 C ATOM 150 C ASP A 10 5.576 13.391 -24.177 1.00 14.44 C ATOM 151 O ASP A 10 5.184 12.905 -25.237 1.00 12.43 O ATOM 152 CB ASP A 10 7.975 12.879 -24.668 1.00 10.52 C ATOM 153 CG ASP A 10 8.133 13.107 -26.158 1.00 64.03 C ATOM 154 OD1 ASP A 10 8.817 14.080 -26.541 1.00 64.50 O ATOM 155 OD2 ASP A 10 7.574 12.312 -26.942 1.00 43.01 O ATOM 0 H ASP A 10 7.572 13.211 -22.116 1.00 3.34 H new ATOM 0 HA ASP A 10 7.108 14.841 -24.528 1.00 60.15 H new ATOM 0 HB2 ASP A 10 8.950 12.955 -24.186 1.00 10.52 H new ATOM 0 HB3 ASP A 10 7.612 11.866 -24.495 1.00 10.52 H new ATOM 160 N GLY A 11 4.794 13.524 -23.109 1.00 51.22 N ATOM 161 CA GLY A 11 3.409 13.092 -23.145 1.00 61.34 C ATOM 162 C GLY A 11 3.238 11.656 -22.690 1.00 10.23 C ATOM 163 O GLY A 11 2.136 11.237 -22.337 1.00 13.01 O ATOM 0 H GLY A 11 5.095 13.923 -22.220 1.00 51.22 H new ATOM 0 HA2 GLY A 11 2.811 13.745 -22.509 1.00 61.34 H new ATOM 0 HA3 GLY A 11 3.025 13.197 -24.160 1.00 61.34 H new ATOM 167 N SER A 12 4.331 10.900 -22.698 1.00 70.25 N ATOM 168 CA SER A 12 4.296 9.501 -22.288 1.00 51.01 C ATOM 169 C SER A 12 3.794 9.368 -20.853 1.00 50.25 C ATOM 170 O SER A 12 3.554 10.366 -20.173 1.00 73.05 O ATOM 171 CB SER A 12 5.686 8.876 -22.414 1.00 24.42 C ATOM 172 OG SER A 12 5.864 8.279 -23.687 1.00 30.22 O ATOM 0 H SER A 12 5.252 11.233 -22.984 1.00 70.25 H new ATOM 0 HA SER A 12 3.607 8.972 -22.946 1.00 51.01 H new ATOM 0 HB2 SER A 12 6.447 9.640 -22.258 1.00 24.42 H new ATOM 0 HB3 SER A 12 5.823 8.126 -21.635 1.00 24.42 H new ATOM 0 HG SER A 12 6.761 7.888 -23.743 1.00 30.22 H new ATOM 178 N ARG A 13 3.638 8.129 -20.400 1.00 70.42 N ATOM 179 CA ARG A 13 3.164 7.864 -19.047 1.00 74.13 C ATOM 180 C ARG A 13 3.578 6.469 -18.589 1.00 72.43 C ATOM 181 O ARG A 13 3.391 5.486 -19.308 1.00 5.32 O ATOM 182 CB ARG A 13 1.642 8.003 -18.981 1.00 55.04 C ATOM 183 CG ARG A 13 0.916 7.294 -20.113 1.00 35.43 C ATOM 184 CD ARG A 13 -0.590 7.482 -20.013 1.00 51.32 C ATOM 185 NE ARG A 13 -1.198 6.545 -19.072 1.00 52.44 N ATOM 186 CZ ARG A 13 -2.508 6.351 -18.972 1.00 74.11 C ATOM 187 NH1 ARG A 13 -3.343 7.024 -19.751 1.00 55.42 N ATOM 188 NH2 ARG A 13 -2.986 5.481 -18.091 1.00 62.34 N ATOM 0 H ARG A 13 3.833 7.292 -20.950 1.00 70.42 H new ATOM 0 HA ARG A 13 3.619 8.596 -18.380 1.00 74.13 H new ATOM 0 HB2 ARG A 13 1.290 7.605 -18.029 1.00 55.04 H new ATOM 0 HB3 ARG A 13 1.381 9.061 -19.000 1.00 55.04 H new ATOM 0 HG2 ARG A 13 1.269 7.678 -21.070 1.00 35.43 H new ATOM 0 HG3 ARG A 13 1.153 6.230 -20.089 1.00 35.43 H new ATOM 0 HD2 ARG A 13 -0.808 8.503 -19.699 1.00 51.32 H new ATOM 0 HD3 ARG A 13 -1.038 7.349 -20.998 1.00 51.32 H new ATOM 0 HE ARG A 13 -0.583 6.011 -18.458 1.00 52.44 H new ATOM 0 HH11 ARG A 13 -2.980 7.693 -20.430 1.00 55.42 H new ATOM 0 HH12 ARG A 13 -4.349 6.873 -19.672 1.00 55.42 H new ATOM 0 HH21 ARG A 13 -2.347 4.961 -17.490 1.00 62.34 H new ATOM 0 HH22 ARG A 13 -3.992 5.333 -18.015 1.00 62.34 H new ATOM 202 N LYS A 14 4.141 6.389 -17.389 1.00 23.33 N ATOM 203 CA LYS A 14 4.582 5.115 -16.833 1.00 31.31 C ATOM 204 C LYS A 14 3.624 4.634 -15.747 1.00 41.34 C ATOM 205 O LYS A 14 3.039 5.438 -15.020 1.00 71.15 O ATOM 206 CB LYS A 14 5.995 5.246 -16.260 1.00 13.34 C ATOM 207 CG LYS A 14 7.013 5.760 -17.263 1.00 11.12 C ATOM 208 CD LYS A 14 7.464 4.662 -18.211 1.00 44.11 C ATOM 209 CE LYS A 14 6.632 4.648 -19.484 1.00 61.01 C ATOM 210 NZ LYS A 14 7.236 5.494 -20.551 1.00 34.12 N ATOM 0 H LYS A 14 4.303 7.192 -16.782 1.00 23.33 H new ATOM 0 HA LYS A 14 4.590 4.380 -17.638 1.00 31.31 H new ATOM 0 HB2 LYS A 14 5.970 5.919 -15.403 1.00 13.34 H new ATOM 0 HB3 LYS A 14 6.320 4.273 -15.891 1.00 13.34 H new ATOM 0 HG2 LYS A 14 6.580 6.581 -17.835 1.00 11.12 H new ATOM 0 HG3 LYS A 14 7.877 6.162 -16.733 1.00 11.12 H new ATOM 0 HD2 LYS A 14 8.515 4.807 -18.463 1.00 44.11 H new ATOM 0 HD3 LYS A 14 7.386 3.695 -17.713 1.00 44.11 H new ATOM 0 HE2 LYS A 14 6.536 3.624 -19.844 1.00 61.01 H new ATOM 0 HE3 LYS A 14 5.626 5.004 -19.264 1.00 61.01 H new ATOM 0 HZ1 LYS A 14 6.487 5.848 -21.179 1.00 34.12 H new ATOM 0 HZ2 LYS A 14 7.733 6.298 -20.117 1.00 34.12 H new ATOM 0 HZ3 LYS A 14 7.911 4.927 -21.103 1.00 34.12 H new ATOM 224 N THR A 15 3.469 3.318 -15.641 1.00 50.13 N ATOM 225 CA THR A 15 2.583 2.731 -14.644 1.00 72.25 C ATOM 226 C THR A 15 3.260 1.573 -13.921 1.00 21.23 C ATOM 227 O THR A 15 3.535 0.531 -14.517 1.00 10.12 O ATOM 228 CB THR A 15 1.274 2.227 -15.283 1.00 4.41 C ATOM 229 OG1 THR A 15 0.566 3.321 -15.876 1.00 11.53 O ATOM 230 CG2 THR A 15 0.393 1.548 -14.246 1.00 32.00 C ATOM 0 H THR A 15 3.946 2.639 -16.234 1.00 50.13 H new ATOM 0 HA THR A 15 2.350 3.517 -13.926 1.00 72.25 H new ATOM 0 HB THR A 15 1.528 1.499 -16.054 1.00 4.41 H new ATOM 0 HG1 THR A 15 -0.264 2.993 -16.281 1.00 11.53 H new ATOM 0 HG21 THR A 15 -0.525 1.201 -14.720 1.00 32.00 H new ATOM 0 HG22 THR A 15 0.924 0.698 -13.817 1.00 32.00 H new ATOM 0 HG23 THR A 15 0.147 2.258 -13.456 1.00 32.00 H new ATOM 238 N TYR A 16 3.526 1.761 -12.633 1.00 22.10 N ATOM 239 CA TYR A 16 4.173 0.732 -11.828 1.00 64.20 C ATOM 240 C TYR A 16 3.872 0.930 -10.346 1.00 35.53 C ATOM 241 O TYR A 16 3.818 2.058 -9.858 1.00 33.22 O ATOM 242 CB TYR A 16 5.685 0.750 -12.059 1.00 24.12 C ATOM 243 CG TYR A 16 6.273 2.142 -12.116 1.00 14.13 C ATOM 244 CD1 TYR A 16 6.396 2.912 -10.966 1.00 4.41 C ATOM 245 CD2 TYR A 16 6.703 2.688 -13.319 1.00 34.41 C ATOM 246 CE1 TYR A 16 6.932 4.185 -11.013 1.00 14.11 C ATOM 247 CE2 TYR A 16 7.240 3.959 -13.375 1.00 64.32 C ATOM 248 CZ TYR A 16 7.353 4.704 -12.220 1.00 34.42 C ATOM 249 OH TYR A 16 7.886 5.971 -12.272 1.00 24.11 O ATOM 0 H TYR A 16 3.303 2.617 -12.124 1.00 22.10 H new ATOM 0 HA TYR A 16 3.776 -0.236 -12.135 1.00 64.20 H new ATOM 0 HB2 TYR A 16 6.173 0.191 -11.260 1.00 24.12 H new ATOM 0 HB3 TYR A 16 5.908 0.232 -12.992 1.00 24.12 H new ATOM 0 HD1 TYR A 16 6.067 2.509 -10.019 1.00 4.41 H new ATOM 0 HD2 TYR A 16 6.616 2.108 -14.226 1.00 34.41 H new ATOM 0 HE1 TYR A 16 7.021 4.770 -10.110 1.00 14.11 H new ATOM 0 HE2 TYR A 16 7.570 4.368 -14.319 1.00 64.32 H new ATOM 0 HH TYR A 16 7.401 6.555 -11.652 1.00 24.11 H new ATOM 259 N GLU A 17 3.676 -0.177 -9.635 1.00 61.14 N ATOM 260 CA GLU A 17 3.379 -0.126 -8.209 1.00 4.13 C ATOM 261 C GLU A 17 4.505 0.564 -7.443 1.00 41.04 C ATOM 262 O GLU A 17 5.646 0.103 -7.447 1.00 70.21 O ATOM 263 CB GLU A 17 3.165 -1.538 -7.659 1.00 14.52 C ATOM 264 CG GLU A 17 1.702 -1.938 -7.564 1.00 51.23 C ATOM 265 CD GLU A 17 1.519 -3.405 -7.228 1.00 22.03 C ATOM 266 OE1 GLU A 17 2.331 -3.938 -6.442 1.00 74.31 O ATOM 267 OE2 GLU A 17 0.566 -4.020 -7.750 1.00 12.25 O ATOM 0 H GLU A 17 3.718 -1.119 -10.024 1.00 61.14 H new ATOM 0 HA GLU A 17 2.464 0.451 -8.075 1.00 4.13 H new ATOM 0 HB2 GLU A 17 3.687 -2.251 -8.297 1.00 14.52 H new ATOM 0 HB3 GLU A 17 3.617 -1.606 -6.669 1.00 14.52 H new ATOM 0 HG2 GLU A 17 1.212 -1.331 -6.803 1.00 51.23 H new ATOM 0 HG3 GLU A 17 1.208 -1.722 -8.511 1.00 51.23 H new ATOM 274 N ALA A 18 4.175 1.672 -6.788 1.00 53.35 N ATOM 275 CA ALA A 18 5.156 2.425 -6.018 1.00 2.43 C ATOM 276 C ALA A 18 4.991 2.174 -4.523 1.00 33.42 C ATOM 277 O ALA A 18 3.923 1.765 -4.067 1.00 34.32 O ATOM 278 CB ALA A 18 5.038 3.912 -6.321 1.00 35.32 C ATOM 0 H ALA A 18 3.235 2.068 -6.775 1.00 53.35 H new ATOM 0 HA ALA A 18 6.149 2.084 -6.310 1.00 2.43 H new ATOM 0 HB1 ALA A 18 5.777 4.462 -5.738 1.00 35.32 H new ATOM 0 HB2 ALA A 18 5.214 4.082 -7.383 1.00 35.32 H new ATOM 0 HB3 ALA A 18 4.038 4.259 -6.059 1.00 35.32 H new ATOM 284 N TYR A 19 6.054 2.419 -3.765 1.00 53.42 N ATOM 285 CA TYR A 19 6.027 2.216 -2.322 1.00 11.04 C ATOM 286 C TYR A 19 5.921 3.548 -1.586 1.00 11.23 C ATOM 287 O TYR A 19 5.684 4.591 -2.197 1.00 30.45 O ATOM 288 CB TYR A 19 7.282 1.468 -1.867 1.00 55.24 C ATOM 289 CG TYR A 19 6.987 0.238 -1.040 1.00 34.34 C ATOM 290 CD1 TYR A 19 6.448 -0.903 -1.622 1.00 55.35 C ATOM 291 CD2 TYR A 19 7.246 0.216 0.325 1.00 30.31 C ATOM 292 CE1 TYR A 19 6.176 -2.029 -0.870 1.00 72.01 C ATOM 293 CE2 TYR A 19 6.979 -0.907 1.085 1.00 52.41 C ATOM 294 CZ TYR A 19 6.444 -2.026 0.483 1.00 74.31 C ATOM 295 OH TYR A 19 6.175 -3.146 1.237 1.00 53.24 O ATOM 0 H TYR A 19 6.945 2.759 -4.126 1.00 53.42 H new ATOM 0 HA TYR A 19 5.148 1.618 -2.082 1.00 11.04 H new ATOM 0 HB2 TYR A 19 7.859 1.176 -2.745 1.00 55.24 H new ATOM 0 HB3 TYR A 19 7.908 2.145 -1.285 1.00 55.24 H new ATOM 0 HD1 TYR A 19 6.238 -0.909 -2.681 1.00 55.35 H new ATOM 0 HD2 TYR A 19 7.663 1.092 0.800 1.00 30.31 H new ATOM 0 HE1 TYR A 19 5.756 -2.907 -1.339 1.00 72.01 H new ATOM 0 HE2 TYR A 19 7.188 -0.908 2.145 1.00 52.41 H new ATOM 0 HH TYR A 19 6.423 -2.979 2.170 1.00 53.24 H new ATOM 305 N ASP A 20 6.099 3.505 -0.270 1.00 12.31 N ATOM 306 CA ASP A 20 6.025 4.708 0.551 1.00 3.32 C ATOM 307 C ASP A 20 7.421 5.241 0.861 1.00 32.20 C ATOM 308 O ASP A 20 8.204 4.592 1.553 1.00 44.11 O ATOM 309 CB ASP A 20 5.276 4.418 1.853 1.00 40.24 C ATOM 310 CG ASP A 20 5.953 3.346 2.684 1.00 73.25 C ATOM 311 OD1 ASP A 20 5.686 2.150 2.441 1.00 73.02 O ATOM 312 OD2 ASP A 20 6.750 3.702 3.576 1.00 51.20 O ATOM 0 H ASP A 20 6.295 2.650 0.251 1.00 12.31 H new ATOM 0 HA ASP A 20 5.481 5.468 -0.010 1.00 3.32 H new ATOM 0 HB2 ASP A 20 5.202 5.335 2.438 1.00 40.24 H new ATOM 0 HB3 ASP A 20 4.258 4.105 1.621 1.00 40.24 H new ATOM 317 N GLY A 21 7.725 6.427 0.342 1.00 20.24 N ATOM 318 CA GLY A 21 9.026 7.026 0.574 1.00 65.23 C ATOM 319 C GLY A 21 10.149 6.244 -0.080 1.00 12.22 C ATOM 320 O GLY A 21 11.324 6.486 0.195 1.00 15.13 O ATOM 0 H GLY A 21 7.094 6.983 -0.235 1.00 20.24 H new ATOM 0 HA2 GLY A 21 9.026 8.046 0.191 1.00 65.23 H new ATOM 0 HA3 GLY A 21 9.208 7.089 1.647 1.00 65.23 H new ATOM 324 N GLU A 22 9.786 5.303 -0.946 1.00 44.31 N ATOM 325 CA GLU A 22 10.773 4.482 -1.638 1.00 51.11 C ATOM 326 C GLU A 22 11.126 5.084 -2.996 1.00 34.55 C ATOM 327 O GLU A 22 10.259 5.265 -3.852 1.00 1.55 O ATOM 328 CB GLU A 22 10.246 3.057 -1.821 1.00 14.43 C ATOM 329 CG GLU A 22 11.250 2.114 -2.462 1.00 14.22 C ATOM 330 CD GLU A 22 11.168 0.707 -1.902 1.00 4.41 C ATOM 331 OE1 GLU A 22 11.777 0.454 -0.841 1.00 51.33 O ATOM 332 OE2 GLU A 22 10.496 -0.141 -2.525 1.00 14.50 O ATOM 0 H GLU A 22 8.817 5.090 -1.185 1.00 44.31 H new ATOM 0 HA GLU A 22 11.675 4.452 -1.027 1.00 51.11 H new ATOM 0 HB2 GLU A 22 9.955 2.659 -0.849 1.00 14.43 H new ATOM 0 HB3 GLU A 22 9.346 3.088 -2.435 1.00 14.43 H new ATOM 0 HG2 GLU A 22 11.079 2.083 -3.538 1.00 14.22 H new ATOM 0 HG3 GLU A 22 12.257 2.503 -2.311 1.00 14.22 H new ATOM 339 N THR A 23 12.405 5.391 -3.186 1.00 11.34 N ATOM 340 CA THR A 23 12.873 5.974 -4.437 1.00 22.42 C ATOM 341 C THR A 23 12.737 4.984 -5.589 1.00 5.25 C ATOM 342 O THR A 23 12.679 3.772 -5.376 1.00 3.31 O ATOM 343 CB THR A 23 14.343 6.423 -4.332 1.00 13.41 C ATOM 344 OG1 THR A 23 14.818 6.846 -5.615 1.00 5.03 O ATOM 345 CG2 THR A 23 15.218 5.295 -3.807 1.00 52.04 C ATOM 0 H THR A 23 13.136 5.246 -2.489 1.00 11.34 H new ATOM 0 HA THR A 23 12.248 6.845 -4.634 1.00 22.42 H new ATOM 0 HB THR A 23 14.396 7.257 -3.632 1.00 13.41 H new ATOM 0 HG1 THR A 23 15.752 7.132 -5.540 1.00 5.03 H new ATOM 0 HG21 THR A 23 16.251 5.636 -3.742 1.00 52.04 H new ATOM 0 HG22 THR A 23 14.871 4.996 -2.818 1.00 52.04 H new ATOM 0 HG23 THR A 23 15.159 4.443 -4.485 1.00 52.04 H new ATOM 353 N LEU A 24 12.688 5.507 -6.809 1.00 1.13 N ATOM 354 CA LEU A 24 12.560 4.669 -7.996 1.00 31.13 C ATOM 355 C LEU A 24 13.733 3.701 -8.108 1.00 22.42 C ATOM 356 O LEU A 24 13.624 2.646 -8.734 1.00 33.50 O ATOM 357 CB LEU A 24 12.479 5.538 -9.252 1.00 5.22 C ATOM 358 CG LEU A 24 11.072 5.897 -9.731 1.00 64.30 C ATOM 359 CD1 LEU A 24 10.891 7.406 -9.773 1.00 1.14 C ATOM 360 CD2 LEU A 24 10.804 5.287 -11.099 1.00 54.53 C ATOM 0 H LEU A 24 12.735 6.507 -7.002 1.00 1.13 H new ATOM 0 HA LEU A 24 11.642 4.089 -7.904 1.00 31.13 H new ATOM 0 HB2 LEU A 24 13.024 6.463 -9.065 1.00 5.22 H new ATOM 0 HB3 LEU A 24 12.996 5.021 -10.061 1.00 5.22 H new ATOM 0 HG LEU A 24 10.352 5.486 -9.024 1.00 64.30 H new ATOM 0 HD11 LEU A 24 9.884 7.642 -10.116 1.00 1.14 H new ATOM 0 HD12 LEU A 24 11.040 7.818 -8.775 1.00 1.14 H new ATOM 0 HD13 LEU A 24 11.619 7.841 -10.458 1.00 1.14 H new ATOM 0 HD21 LEU A 24 9.798 5.552 -11.425 1.00 54.53 H new ATOM 0 HD22 LEU A 24 11.531 5.669 -11.816 1.00 54.53 H new ATOM 0 HD23 LEU A 24 10.891 4.202 -11.037 1.00 54.53 H new ATOM 372 N LEU A 25 14.855 4.065 -7.496 1.00 35.12 N ATOM 373 CA LEU A 25 16.049 3.227 -7.524 1.00 54.45 C ATOM 374 C LEU A 25 15.737 1.817 -7.033 1.00 52.42 C ATOM 375 O LEU A 25 16.023 0.834 -7.716 1.00 22.12 O ATOM 376 CB LEU A 25 17.151 3.847 -6.664 1.00 41.32 C ATOM 377 CG LEU A 25 18.584 3.452 -7.023 1.00 2.34 C ATOM 378 CD1 LEU A 25 19.188 4.455 -7.993 1.00 55.44 C ATOM 379 CD2 LEU A 25 19.437 3.343 -5.767 1.00 61.01 C ATOM 0 H LEU A 25 14.963 4.935 -6.974 1.00 35.12 H new ATOM 0 HA LEU A 25 16.394 3.164 -8.556 1.00 54.45 H new ATOM 0 HB2 LEU A 25 17.067 4.932 -6.728 1.00 41.32 H new ATOM 0 HB3 LEU A 25 16.970 3.574 -5.624 1.00 41.32 H new ATOM 0 HG LEU A 25 18.560 2.477 -7.509 1.00 2.34 H new ATOM 0 HD11 LEU A 25 20.208 4.157 -8.237 1.00 55.44 H new ATOM 0 HD12 LEU A 25 18.591 4.484 -8.905 1.00 55.44 H new ATOM 0 HD13 LEU A 25 19.199 5.444 -7.534 1.00 55.44 H new ATOM 0 HD21 LEU A 25 20.454 3.061 -6.041 1.00 61.01 H new ATOM 0 HD22 LEU A 25 19.453 4.304 -5.253 1.00 61.01 H new ATOM 0 HD23 LEU A 25 19.016 2.585 -5.106 1.00 61.01 H new ATOM 391 N SER A 26 15.146 1.727 -5.846 1.00 3.12 N ATOM 392 CA SER A 26 14.797 0.437 -5.262 1.00 54.31 C ATOM 393 C SER A 26 13.724 -0.262 -6.092 1.00 43.23 C ATOM 394 O SER A 26 13.660 -1.491 -6.137 1.00 65.13 O ATOM 395 CB SER A 26 14.306 0.620 -3.825 1.00 1.44 C ATOM 396 OG SER A 26 13.573 -0.511 -3.388 1.00 1.01 O ATOM 0 H SER A 26 14.899 2.532 -5.270 1.00 3.12 H new ATOM 0 HA SER A 26 15.692 -0.186 -5.256 1.00 54.31 H new ATOM 0 HB2 SER A 26 15.158 0.783 -3.164 1.00 1.44 H new ATOM 0 HB3 SER A 26 13.679 1.510 -3.762 1.00 1.44 H new ATOM 0 HG SER A 26 13.546 -0.525 -2.408 1.00 1.01 H new ATOM 402 N LEU A 27 12.883 0.530 -6.748 1.00 43.12 N ATOM 403 CA LEU A 27 11.812 -0.011 -7.578 1.00 23.01 C ATOM 404 C LEU A 27 12.371 -0.939 -8.652 1.00 4.04 C ATOM 405 O LEU A 27 11.667 -1.810 -9.161 1.00 50.35 O ATOM 406 CB LEU A 27 11.022 1.125 -8.230 1.00 63.12 C ATOM 407 CG LEU A 27 9.535 0.859 -8.466 1.00 61.12 C ATOM 408 CD1 LEU A 27 8.828 0.574 -7.150 1.00 44.01 C ATOM 409 CD2 LEU A 27 8.888 2.039 -9.176 1.00 44.15 C ATOM 0 H LEU A 27 12.922 1.549 -6.721 1.00 43.12 H new ATOM 0 HA LEU A 27 11.145 -0.588 -6.937 1.00 23.01 H new ATOM 0 HB2 LEU A 27 11.117 2.013 -7.604 1.00 63.12 H new ATOM 0 HB3 LEU A 27 11.485 1.359 -9.188 1.00 63.12 H new ATOM 0 HG LEU A 27 9.440 -0.020 -9.104 1.00 61.12 H new ATOM 0 HD11 LEU A 27 7.771 0.387 -7.338 1.00 44.01 H new ATOM 0 HD12 LEU A 27 9.274 -0.303 -6.680 1.00 44.01 H new ATOM 0 HD13 LEU A 27 8.932 1.433 -6.487 1.00 44.01 H new ATOM 0 HD21 LEU A 27 7.830 1.832 -9.336 1.00 44.15 H new ATOM 0 HD22 LEU A 27 8.994 2.935 -8.564 1.00 44.15 H new ATOM 0 HD23 LEU A 27 9.376 2.197 -10.138 1.00 44.15 H new ATOM 421 N ALA A 28 13.643 -0.747 -8.989 1.00 34.44 N ATOM 422 CA ALA A 28 14.297 -1.570 -9.998 1.00 45.33 C ATOM 423 C ALA A 28 14.108 -3.054 -9.705 1.00 33.10 C ATOM 424 O ALA A 28 14.088 -3.880 -10.618 1.00 73.11 O ATOM 425 CB ALA A 28 15.779 -1.230 -10.076 1.00 34.30 C ATOM 0 H ALA A 28 14.240 -0.029 -8.578 1.00 34.44 H new ATOM 0 HA ALA A 28 13.834 -1.356 -10.961 1.00 45.33 H new ATOM 0 HB1 ALA A 28 16.256 -1.852 -10.834 1.00 34.30 H new ATOM 0 HB2 ALA A 28 15.898 -0.180 -10.342 1.00 34.30 H new ATOM 0 HB3 ALA A 28 16.246 -1.415 -9.109 1.00 34.30 H new ATOM 431 N HIS A 29 13.969 -3.387 -8.425 1.00 43.25 N ATOM 432 CA HIS A 29 13.781 -4.773 -8.012 1.00 41.10 C ATOM 433 C HIS A 29 12.629 -5.417 -8.778 1.00 44.20 C ATOM 434 O HIS A 29 12.660 -6.611 -9.075 1.00 34.22 O ATOM 435 CB HIS A 29 13.513 -4.847 -6.509 1.00 5.15 C ATOM 436 CG HIS A 29 12.102 -4.515 -6.134 1.00 52.23 C ATOM 437 ND1 HIS A 29 11.269 -5.398 -5.481 1.00 33.22 N ATOM 438 CD2 HIS A 29 11.378 -3.387 -6.324 1.00 75.21 C ATOM 439 CE1 HIS A 29 10.093 -4.829 -5.286 1.00 54.04 C ATOM 440 NE2 HIS A 29 10.133 -3.608 -5.788 1.00 55.15 N ATOM 0 H HIS A 29 13.983 -2.716 -7.657 1.00 43.25 H new ATOM 0 HA HIS A 29 14.696 -5.321 -8.238 1.00 41.10 H new ATOM 0 HB2 HIS A 29 13.747 -5.851 -6.156 1.00 5.15 H new ATOM 0 HB3 HIS A 29 14.187 -4.163 -5.994 1.00 5.15 H new ATOM 0 HD2 HIS A 29 11.716 -2.482 -6.807 1.00 75.21 H new ATOM 0 HE1 HIS A 29 9.243 -5.285 -4.799 1.00 54.04 H new ATOM 0 HE2 HIS A 29 9.364 -2.938 -5.779 1.00 55.15 H new ATOM 448 N ARG A 30 11.615 -4.618 -9.094 1.00 45.22 N ATOM 449 CA ARG A 30 10.453 -5.110 -9.824 1.00 22.45 C ATOM 450 C ARG A 30 10.728 -5.147 -11.324 1.00 42.50 C ATOM 451 O ARG A 30 10.247 -6.030 -12.032 1.00 22.20 O ATOM 452 CB ARG A 30 9.235 -4.230 -9.539 1.00 31.25 C ATOM 453 CG ARG A 30 8.369 -4.740 -8.398 1.00 52.22 C ATOM 454 CD ARG A 30 7.329 -5.735 -8.890 1.00 2.32 C ATOM 455 NE ARG A 30 6.716 -6.474 -7.790 1.00 13.12 N ATOM 456 CZ ARG A 30 5.777 -7.399 -7.959 1.00 3.31 C ATOM 457 NH1 ARG A 30 5.347 -7.696 -9.177 1.00 61.42 N ATOM 458 NH2 ARG A 30 5.267 -8.028 -6.908 1.00 25.31 N ATOM 0 H ARG A 30 11.575 -3.627 -8.856 1.00 45.22 H new ATOM 0 HA ARG A 30 10.246 -6.125 -9.486 1.00 22.45 H new ATOM 0 HB2 ARG A 30 9.573 -3.221 -9.304 1.00 31.25 H new ATOM 0 HB3 ARG A 30 8.628 -4.161 -10.442 1.00 31.25 H new ATOM 0 HG2 ARG A 30 8.999 -5.213 -7.645 1.00 52.22 H new ATOM 0 HG3 ARG A 30 7.870 -3.900 -7.915 1.00 52.22 H new ATOM 0 HD2 ARG A 30 6.556 -5.206 -9.447 1.00 2.32 H new ATOM 0 HD3 ARG A 30 7.796 -6.436 -9.582 1.00 2.32 H new ATOM 0 HE ARG A 30 7.025 -6.269 -6.840 1.00 13.12 H new ATOM 0 HH11 ARG A 30 5.737 -7.214 -9.987 1.00 61.42 H new ATOM 0 HH12 ARG A 30 4.626 -8.406 -9.304 1.00 61.42 H new ATOM 0 HH21 ARG A 30 5.596 -7.802 -5.969 1.00 25.31 H new ATOM 0 HH22 ARG A 30 4.546 -8.738 -7.039 1.00 25.31 H new ATOM 472 N ASN A 31 11.505 -4.179 -11.802 1.00 33.35 N ATOM 473 CA ASN A 31 11.843 -4.100 -13.218 1.00 11.20 C ATOM 474 C ASN A 31 12.973 -5.065 -13.562 1.00 44.33 C ATOM 475 O ASN A 31 13.359 -5.195 -14.723 1.00 65.30 O ATOM 476 CB ASN A 31 12.246 -2.671 -13.588 1.00 22.11 C ATOM 477 CG ASN A 31 12.036 -2.374 -15.060 1.00 41.21 C ATOM 478 OD1 ASN A 31 11.256 -3.045 -15.735 1.00 74.31 O ATOM 479 ND2 ASN A 31 12.734 -1.363 -15.565 1.00 21.10 N ATOM 0 H ASN A 31 11.912 -3.439 -11.229 1.00 33.35 H new ATOM 0 HA ASN A 31 10.961 -4.382 -13.793 1.00 11.20 H new ATOM 0 HB2 ASN A 31 11.666 -1.967 -12.992 1.00 22.11 H new ATOM 0 HB3 ASN A 31 13.295 -2.515 -13.335 1.00 22.11 H new ATOM 0 HD21 ASN A 31 12.634 -1.116 -16.550 1.00 21.10 H new ATOM 0 HD22 ASN A 31 13.370 -0.834 -14.968 1.00 21.10 H new ATOM 486 N ASN A 32 13.499 -5.739 -12.545 1.00 3.23 N ATOM 487 CA ASN A 32 14.586 -6.692 -12.739 1.00 73.14 C ATOM 488 C ASN A 32 15.733 -6.057 -13.519 1.00 62.42 C ATOM 489 O ASN A 32 16.454 -6.739 -14.248 1.00 43.43 O ATOM 490 CB ASN A 32 14.078 -7.932 -13.477 1.00 75.52 C ATOM 491 CG ASN A 32 12.783 -8.464 -12.892 1.00 5.25 C ATOM 492 OD1 ASN A 32 12.748 -8.920 -11.749 1.00 14.04 O ATOM 493 ND2 ASN A 32 11.713 -8.407 -13.675 1.00 34.22 N ATOM 0 H ASN A 32 13.190 -5.643 -11.578 1.00 3.23 H new ATOM 0 HA ASN A 32 14.957 -6.987 -11.758 1.00 73.14 H new ATOM 0 HB2 ASN A 32 13.925 -7.688 -14.528 1.00 75.52 H new ATOM 0 HB3 ASN A 32 14.839 -8.712 -13.438 1.00 75.52 H new ATOM 0 HD21 ASN A 32 10.814 -8.750 -13.336 1.00 34.22 H new ATOM 0 HD22 ASN A 32 11.790 -8.020 -14.616 1.00 34.22 H new ATOM 500 N VAL A 33 15.897 -4.748 -13.360 1.00 11.13 N ATOM 501 CA VAL A 33 16.957 -4.021 -14.047 1.00 4.32 C ATOM 502 C VAL A 33 18.213 -3.937 -13.186 1.00 62.34 C ATOM 503 O VAL A 33 18.140 -3.979 -11.958 1.00 65.41 O ATOM 504 CB VAL A 33 16.509 -2.595 -14.421 1.00 63.51 C ATOM 505 CG1 VAL A 33 16.347 -1.741 -13.173 1.00 25.31 C ATOM 506 CG2 VAL A 33 17.500 -1.962 -15.386 1.00 2.11 C ATOM 0 H VAL A 33 15.309 -4.169 -12.761 1.00 11.13 H new ATOM 0 HA VAL A 33 17.181 -4.575 -14.959 1.00 4.32 H new ATOM 0 HB VAL A 33 15.541 -2.655 -14.918 1.00 63.51 H new ATOM 0 HG11 VAL A 33 16.030 -0.738 -13.457 1.00 25.31 H new ATOM 0 HG12 VAL A 33 15.596 -2.188 -12.521 1.00 25.31 H new ATOM 0 HG13 VAL A 33 17.299 -1.685 -12.644 1.00 25.31 H new ATOM 0 HG21 VAL A 33 17.168 -0.955 -15.640 1.00 2.11 H new ATOM 0 HG22 VAL A 33 18.483 -1.913 -14.918 1.00 2.11 H new ATOM 0 HG23 VAL A 33 17.560 -2.564 -16.293 1.00 2.11 H new ATOM 516 N ASP A 34 19.364 -3.818 -13.839 1.00 70.42 N ATOM 517 CA ASP A 34 20.637 -3.727 -13.134 1.00 22.30 C ATOM 518 C ASP A 34 21.120 -2.282 -13.068 1.00 52.44 C ATOM 519 O ASP A 34 21.430 -1.672 -14.093 1.00 22.31 O ATOM 520 CB ASP A 34 21.689 -4.598 -13.822 1.00 62.42 C ATOM 521 CG ASP A 34 21.768 -4.342 -15.314 1.00 55.43 C ATOM 522 OD1 ASP A 34 20.870 -4.811 -16.045 1.00 50.34 O ATOM 523 OD2 ASP A 34 22.726 -3.671 -15.751 1.00 12.31 O ATOM 0 H ASP A 34 19.441 -3.782 -14.855 1.00 70.42 H new ATOM 0 HA ASP A 34 20.487 -4.088 -12.116 1.00 22.30 H new ATOM 0 HB2 ASP A 34 22.664 -4.409 -13.372 1.00 62.42 H new ATOM 0 HB3 ASP A 34 21.456 -5.649 -13.649 1.00 62.42 H new ATOM 528 N LEU A 35 21.179 -1.738 -11.858 1.00 5.31 N ATOM 529 CA LEU A 35 21.623 -0.362 -11.658 1.00 63.51 C ATOM 530 C LEU A 35 22.733 -0.295 -10.614 1.00 1.32 C ATOM 531 O LEU A 35 22.487 -0.470 -9.421 1.00 71.51 O ATOM 532 CB LEU A 35 20.448 0.516 -11.227 1.00 54.22 C ATOM 533 CG LEU A 35 20.556 2.001 -11.576 1.00 4.15 C ATOM 534 CD1 LEU A 35 21.738 2.633 -10.856 1.00 15.14 C ATOM 535 CD2 LEU A 35 20.685 2.188 -13.080 1.00 74.13 C ATOM 0 H LEU A 35 20.925 -2.228 -11.000 1.00 5.31 H new ATOM 0 HA LEU A 35 22.017 0.008 -12.605 1.00 63.51 H new ATOM 0 HB2 LEU A 35 19.540 0.122 -11.682 1.00 54.22 H new ATOM 0 HB3 LEU A 35 20.329 0.425 -10.147 1.00 54.22 H new ATOM 0 HG LEU A 35 19.645 2.499 -11.245 1.00 4.15 H new ATOM 0 HD11 LEU A 35 21.800 3.690 -11.116 1.00 15.14 H new ATOM 0 HD12 LEU A 35 21.605 2.531 -9.779 1.00 15.14 H new ATOM 0 HD13 LEU A 35 22.658 2.131 -11.157 1.00 15.14 H new ATOM 0 HD21 LEU A 35 20.761 3.251 -13.309 1.00 74.13 H new ATOM 0 HD22 LEU A 35 21.579 1.676 -13.435 1.00 74.13 H new ATOM 0 HD23 LEU A 35 19.808 1.772 -13.575 1.00 74.13 H new ATOM 547 N GLU A 36 23.954 -0.037 -11.071 1.00 43.23 N ATOM 548 CA GLU A 36 25.101 0.056 -10.175 1.00 62.45 C ATOM 549 C GLU A 36 24.928 1.204 -9.186 1.00 54.41 C ATOM 550 O GLU A 36 25.042 2.374 -9.550 1.00 14.01 O ATOM 551 CB GLU A 36 26.389 0.250 -10.978 1.00 62.33 C ATOM 552 CG GLU A 36 26.654 -0.860 -11.982 1.00 53.23 C ATOM 553 CD GLU A 36 28.123 -0.992 -12.331 1.00 63.54 C ATOM 554 OE1 GLU A 36 28.900 -1.444 -11.464 1.00 1.32 O ATOM 555 OE2 GLU A 36 28.497 -0.645 -13.471 1.00 74.22 O ATOM 0 H GLU A 36 24.175 0.111 -12.056 1.00 43.23 H new ATOM 0 HA GLU A 36 25.167 -0.876 -9.614 1.00 62.45 H new ATOM 0 HB2 GLU A 36 26.338 1.202 -11.507 1.00 62.33 H new ATOM 0 HB3 GLU A 36 27.231 0.313 -10.289 1.00 62.33 H new ATOM 0 HG2 GLU A 36 26.294 -1.806 -11.576 1.00 53.23 H new ATOM 0 HG3 GLU A 36 26.084 -0.666 -12.891 1.00 53.23 H new ATOM 562 N GLY A 37 24.650 0.861 -7.932 1.00 22.22 N ATOM 563 CA GLY A 37 24.464 1.873 -6.909 1.00 44.51 C ATOM 564 C GLY A 37 24.583 1.310 -5.507 1.00 2.11 C ATOM 565 O GLY A 37 25.424 0.451 -5.245 1.00 64.23 O ATOM 0 H GLY A 37 24.550 -0.100 -7.606 1.00 22.22 H new ATOM 0 HA2 GLY A 37 25.204 2.662 -7.044 1.00 44.51 H new ATOM 0 HA3 GLY A 37 23.483 2.332 -7.031 1.00 44.51 H new ATOM 569 N ALA A 38 23.740 1.796 -4.602 1.00 53.02 N ATOM 570 CA ALA A 38 23.754 1.335 -3.219 1.00 53.24 C ATOM 571 C ALA A 38 22.514 0.504 -2.905 1.00 44.21 C ATOM 572 O ALA A 38 22.600 -0.528 -2.239 1.00 62.43 O ATOM 573 CB ALA A 38 23.852 2.519 -2.269 1.00 44.53 C ATOM 0 H ALA A 38 23.039 2.509 -4.802 1.00 53.02 H new ATOM 0 HA ALA A 38 24.629 0.700 -3.082 1.00 53.24 H new ATOM 0 HB1 ALA A 38 23.861 2.160 -1.240 1.00 44.53 H new ATOM 0 HB2 ALA A 38 24.770 3.071 -2.469 1.00 44.53 H new ATOM 0 HB3 ALA A 38 22.995 3.176 -2.416 1.00 44.53 H new ATOM 579 N CYS A 39 21.364 0.961 -3.387 1.00 71.00 N ATOM 580 CA CYS A 39 20.106 0.260 -3.156 1.00 31.12 C ATOM 581 C CYS A 39 19.826 0.123 -1.663 1.00 22.03 C ATOM 582 O CYS A 39 19.439 -0.945 -1.190 1.00 24.11 O ATOM 583 CB CYS A 39 20.141 -1.122 -3.809 1.00 72.44 C ATOM 584 SG CYS A 39 20.645 -1.105 -5.546 1.00 23.54 S ATOM 0 H CYS A 39 21.276 1.814 -3.940 1.00 71.00 H new ATOM 0 HA CYS A 39 19.304 0.846 -3.605 1.00 31.12 H new ATOM 0 HB2 CYS A 39 20.826 -1.759 -3.249 1.00 72.44 H new ATOM 0 HB3 CYS A 39 19.152 -1.573 -3.733 1.00 72.44 H new ATOM 0 HG CYS A 39 20.646 -2.320 -6.009 1.00 23.54 H new ATOM 590 N GLU A 40 20.026 1.211 -0.926 1.00 44.41 N ATOM 591 CA GLU A 40 19.798 1.211 0.514 1.00 31.10 C ATOM 592 C GLU A 40 18.644 2.140 0.882 1.00 23.42 C ATOM 593 O GLU A 40 18.761 2.962 1.789 1.00 14.43 O ATOM 594 CB GLU A 40 21.067 1.638 1.254 1.00 1.03 C ATOM 595 CG GLU A 40 21.181 1.055 2.653 1.00 43.02 C ATOM 596 CD GLU A 40 22.436 1.509 3.374 1.00 53.44 C ATOM 597 OE1 GLU A 40 23.043 2.509 2.934 1.00 34.42 O ATOM 598 OE2 GLU A 40 22.811 0.866 4.376 1.00 15.31 O ATOM 0 H GLU A 40 20.345 2.104 -1.302 1.00 44.41 H new ATOM 0 HA GLU A 40 19.535 0.197 0.814 1.00 31.10 H new ATOM 0 HB2 GLU A 40 21.937 1.335 0.671 1.00 1.03 H new ATOM 0 HB3 GLU A 40 21.091 2.726 1.320 1.00 1.03 H new ATOM 0 HG2 GLU A 40 20.307 1.345 3.236 1.00 43.02 H new ATOM 0 HG3 GLU A 40 21.176 -0.033 2.591 1.00 43.02 H new ATOM 605 N GLY A 41 17.530 2.001 0.170 1.00 41.02 N ATOM 606 CA GLY A 41 16.372 2.834 0.435 1.00 34.32 C ATOM 607 C GLY A 41 15.271 2.083 1.158 1.00 23.33 C ATOM 608 O GLY A 41 14.413 1.466 0.527 1.00 12.32 O ATOM 0 H GLY A 41 17.409 1.326 -0.585 1.00 41.02 H new ATOM 0 HA2 GLY A 41 16.675 3.693 1.034 1.00 34.32 H new ATOM 0 HA3 GLY A 41 15.985 3.223 -0.507 1.00 34.32 H new ATOM 612 N SER A 42 15.297 2.133 2.486 1.00 31.44 N ATOM 613 CA SER A 42 14.297 1.447 3.296 1.00 31.15 C ATOM 614 C SER A 42 14.015 2.220 4.581 1.00 3.12 C ATOM 615 O SER A 42 14.678 3.215 4.879 1.00 22.42 O ATOM 616 CB SER A 42 14.766 0.030 3.633 1.00 44.21 C ATOM 617 OG SER A 42 13.665 -0.826 3.882 1.00 23.31 O ATOM 0 H SER A 42 15.999 2.641 3.024 1.00 31.44 H new ATOM 0 HA SER A 42 13.375 1.389 2.717 1.00 31.15 H new ATOM 0 HB2 SER A 42 15.359 -0.366 2.809 1.00 44.21 H new ATOM 0 HB3 SER A 42 15.415 0.057 4.508 1.00 44.21 H new ATOM 0 HG SER A 42 13.991 -1.726 4.093 1.00 23.31 H new ATOM 623 N LEU A 43 13.028 1.756 5.339 1.00 55.33 N ATOM 624 CA LEU A 43 12.656 2.403 6.593 1.00 45.14 C ATOM 625 C LEU A 43 12.273 3.861 6.361 1.00 52.05 C ATOM 626 O LEU A 43 12.619 4.738 7.152 1.00 72.42 O ATOM 627 CB LEU A 43 13.811 2.321 7.593 1.00 72.41 C ATOM 628 CG LEU A 43 14.357 0.920 7.874 1.00 52.23 C ATOM 629 CD1 LEU A 43 15.774 0.999 8.421 1.00 55.42 C ATOM 630 CD2 LEU A 43 13.449 0.178 8.844 1.00 1.51 C ATOM 0 H LEU A 43 12.470 0.934 5.107 1.00 55.33 H new ATOM 0 HA LEU A 43 11.791 1.880 7.001 1.00 45.14 H new ATOM 0 HB2 LEU A 43 14.629 2.941 7.225 1.00 72.41 H new ATOM 0 HB3 LEU A 43 13.480 2.756 8.536 1.00 72.41 H new ATOM 0 HG LEU A 43 14.382 0.366 6.936 1.00 52.23 H new ATOM 0 HD11 LEU A 43 16.146 -0.007 8.615 1.00 55.42 H new ATOM 0 HD12 LEU A 43 16.419 1.490 7.692 1.00 55.42 H new ATOM 0 HD13 LEU A 43 15.774 1.571 9.349 1.00 55.42 H new ATOM 0 HD21 LEU A 43 13.853 -0.817 9.032 1.00 1.51 H new ATOM 0 HD22 LEU A 43 13.391 0.730 9.782 1.00 1.51 H new ATOM 0 HD23 LEU A 43 12.452 0.089 8.413 1.00 1.51 H new ATOM 642 N ALA A 44 11.554 4.112 5.271 1.00 2.21 N ATOM 643 CA ALA A 44 11.120 5.463 4.937 1.00 32.13 C ATOM 644 C ALA A 44 9.600 5.579 4.987 1.00 61.22 C ATOM 645 O ALA A 44 8.964 5.952 4.000 1.00 1.35 O ATOM 646 CB ALA A 44 11.637 5.859 3.562 1.00 34.11 C ATOM 0 H ALA A 44 11.260 3.398 4.605 1.00 2.21 H new ATOM 0 HA ALA A 44 11.535 6.145 5.679 1.00 32.13 H new ATOM 0 HB1 ALA A 44 11.305 6.870 3.326 1.00 34.11 H new ATOM 0 HB2 ALA A 44 12.726 5.825 3.559 1.00 34.11 H new ATOM 0 HB3 ALA A 44 11.250 5.166 2.815 1.00 34.11 H new ATOM 652 N CYS A 45 9.024 5.256 6.139 1.00 22.15 N ATOM 653 CA CYS A 45 7.578 5.322 6.317 1.00 51.53 C ATOM 654 C CYS A 45 7.199 6.445 7.277 1.00 51.21 C ATOM 655 O CYS A 45 7.971 6.802 8.167 1.00 62.23 O ATOM 656 CB CYS A 45 7.045 3.987 6.838 1.00 2.24 C ATOM 657 SG CYS A 45 7.775 3.464 8.408 1.00 71.34 S ATOM 0 H CYS A 45 9.536 4.946 6.964 1.00 22.15 H new ATOM 0 HA CYS A 45 7.127 5.530 5.347 1.00 51.53 H new ATOM 0 HB2 CYS A 45 5.964 4.062 6.959 1.00 2.24 H new ATOM 0 HB3 CYS A 45 7.230 3.217 6.089 1.00 2.24 H new ATOM 0 HG CYS A 45 7.260 2.326 8.768 1.00 71.34 H new ATOM 663 N SER A 46 6.005 7.000 7.089 1.00 25.44 N ATOM 664 CA SER A 46 5.526 8.086 7.935 1.00 11.15 C ATOM 665 C SER A 46 6.448 9.298 7.838 1.00 32.12 C ATOM 666 O SER A 46 6.619 10.042 8.804 1.00 3.22 O ATOM 667 CB SER A 46 5.426 7.622 9.390 1.00 43.31 C ATOM 668 OG SER A 46 4.519 8.429 10.121 1.00 22.34 O ATOM 0 H SER A 46 5.353 6.715 6.359 1.00 25.44 H new ATOM 0 HA SER A 46 4.535 8.376 7.585 1.00 11.15 H new ATOM 0 HB2 SER A 46 5.100 6.582 9.422 1.00 43.31 H new ATOM 0 HB3 SER A 46 6.410 7.662 9.856 1.00 43.31 H new ATOM 0 HG SER A 46 4.789 9.369 10.053 1.00 22.34 H new ATOM 674 N THR A 47 7.040 9.490 6.664 1.00 43.13 N ATOM 675 CA THR A 47 7.946 10.610 6.439 1.00 72.33 C ATOM 676 C THR A 47 7.178 11.919 6.300 1.00 15.05 C ATOM 677 O THR A 47 6.045 11.937 5.816 1.00 1.14 O ATOM 678 CB THR A 47 8.802 10.395 5.177 1.00 63.44 C ATOM 679 OG1 THR A 47 9.785 11.431 5.069 1.00 71.41 O ATOM 680 CG2 THR A 47 7.933 10.381 3.928 1.00 11.53 C ATOM 0 H THR A 47 6.909 8.884 5.854 1.00 43.13 H new ATOM 0 HA THR A 47 8.601 10.666 7.309 1.00 72.33 H new ATOM 0 HB THR A 47 9.300 9.429 5.264 1.00 63.44 H new ATOM 0 HG1 THR A 47 10.326 11.286 4.265 1.00 71.41 H new ATOM 0 HG21 THR A 47 8.560 10.228 3.050 1.00 11.53 H new ATOM 0 HG22 THR A 47 7.206 9.572 4.000 1.00 11.53 H new ATOM 0 HG23 THR A 47 7.410 11.333 3.838 1.00 11.53 H new ATOM 688 N CYS A 48 7.800 13.012 6.727 1.00 14.34 N ATOM 689 CA CYS A 48 7.173 14.327 6.651 1.00 3.41 C ATOM 690 C CYS A 48 7.237 14.878 5.230 1.00 12.23 C ATOM 691 O CYS A 48 6.212 15.221 4.640 1.00 41.33 O ATOM 692 CB CYS A 48 7.855 15.297 7.618 1.00 60.22 C ATOM 693 SG CYS A 48 7.409 15.046 9.352 1.00 54.01 S ATOM 0 H CYS A 48 8.737 13.014 7.129 1.00 14.34 H new ATOM 0 HA CYS A 48 6.126 14.220 6.933 1.00 3.41 H new ATOM 0 HB2 CYS A 48 8.935 15.198 7.514 1.00 60.22 H new ATOM 0 HB3 CYS A 48 7.600 16.317 7.332 1.00 60.22 H new ATOM 0 HG CYS A 48 8.037 15.911 10.091 1.00 54.01 H new ATOM 699 N HIS A 49 8.447 14.962 4.687 1.00 22.21 N ATOM 700 CA HIS A 49 8.645 15.472 3.335 1.00 12.41 C ATOM 701 C HIS A 49 7.781 14.710 2.335 1.00 51.31 C ATOM 702 O HIS A 49 7.602 13.498 2.451 1.00 73.21 O ATOM 703 CB HIS A 49 10.118 15.368 2.938 1.00 14.21 C ATOM 704 CG HIS A 49 11.053 15.958 3.948 1.00 64.10 C ATOM 705 ND1 HIS A 49 10.740 17.064 4.709 1.00 54.21 N ATOM 706 CD2 HIS A 49 12.301 15.588 4.322 1.00 75.54 C ATOM 707 CE1 HIS A 49 11.754 17.350 5.506 1.00 71.05 C ATOM 708 NE2 HIS A 49 12.714 16.469 5.290 1.00 32.55 N ATOM 0 H HIS A 49 9.305 14.683 5.162 1.00 22.21 H new ATOM 0 HA HIS A 49 8.347 16.520 3.321 1.00 12.41 H new ATOM 0 HB2 HIS A 49 10.372 14.319 2.789 1.00 14.21 H new ATOM 0 HB3 HIS A 49 10.265 15.871 1.982 1.00 14.21 H new ATOM 0 HD2 HIS A 49 12.866 14.755 3.931 1.00 75.54 H new ATOM 0 HE1 HIS A 49 11.792 18.165 6.213 1.00 71.05 H new ATOM 0 HE2 HIS A 49 13.616 16.447 5.766 1.00 32.55 H new ATOM 716 N VAL A 50 7.247 15.429 1.353 1.00 52.53 N ATOM 717 CA VAL A 50 6.402 14.821 0.332 1.00 11.10 C ATOM 718 C VAL A 50 6.864 15.210 -1.068 1.00 1.44 C ATOM 719 O VAL A 50 7.668 16.128 -1.234 1.00 11.42 O ATOM 720 CB VAL A 50 4.927 15.231 0.506 1.00 5.24 C ATOM 721 CG1 VAL A 50 4.392 14.743 1.844 1.00 40.50 C ATOM 722 CG2 VAL A 50 4.776 16.740 0.380 1.00 31.50 C ATOM 0 H VAL A 50 7.385 16.434 1.243 1.00 52.53 H new ATOM 0 HA VAL A 50 6.488 13.741 0.453 1.00 11.10 H new ATOM 0 HB VAL A 50 4.341 14.763 -0.285 1.00 5.24 H new ATOM 0 HG11 VAL A 50 3.349 15.042 1.950 1.00 40.50 H new ATOM 0 HG12 VAL A 50 4.465 13.656 1.891 1.00 40.50 H new ATOM 0 HG13 VAL A 50 4.978 15.181 2.652 1.00 40.50 H new ATOM 0 HG21 VAL A 50 3.728 17.013 0.505 1.00 31.50 H new ATOM 0 HG22 VAL A 50 5.373 17.231 1.149 1.00 31.50 H new ATOM 0 HG23 VAL A 50 5.119 17.059 -0.604 1.00 31.50 H new ATOM 732 N ILE A 51 6.351 14.507 -2.071 1.00 52.02 N ATOM 733 CA ILE A 51 6.710 14.780 -3.457 1.00 51.42 C ATOM 734 C ILE A 51 5.481 14.754 -4.359 1.00 74.31 C ATOM 735 O ILE A 51 4.890 13.698 -4.589 1.00 14.05 O ATOM 736 CB ILE A 51 7.740 13.764 -3.983 1.00 25.33 C ATOM 737 CG1 ILE A 51 7.826 13.834 -5.509 1.00 3.12 C ATOM 738 CG2 ILE A 51 7.375 12.358 -3.532 1.00 32.53 C ATOM 739 CD1 ILE A 51 8.980 13.044 -6.086 1.00 74.22 C ATOM 0 H ILE A 51 5.685 13.744 -1.950 1.00 52.02 H new ATOM 0 HA ILE A 51 7.152 15.776 -3.477 1.00 51.42 H new ATOM 0 HB ILE A 51 8.718 14.015 -3.571 1.00 25.33 H new ATOM 0 HG12 ILE A 51 6.894 13.463 -5.935 1.00 3.12 H new ATOM 0 HG13 ILE A 51 7.922 14.877 -5.812 1.00 3.12 H new ATOM 0 HG21 ILE A 51 8.113 11.651 -3.912 1.00 32.53 H new ATOM 0 HG22 ILE A 51 7.361 12.317 -2.443 1.00 32.53 H new ATOM 0 HG23 ILE A 51 6.390 12.096 -3.918 1.00 32.53 H new ATOM 0 HD11 ILE A 51 8.979 13.139 -7.172 1.00 74.22 H new ATOM 0 HD12 ILE A 51 9.919 13.429 -5.689 1.00 74.22 H new ATOM 0 HD13 ILE A 51 8.874 11.994 -5.814 1.00 74.22 H new ATOM 751 N ILE A 52 5.102 15.921 -4.869 1.00 23.10 N ATOM 752 CA ILE A 52 3.945 16.031 -5.748 1.00 61.44 C ATOM 753 C ILE A 52 4.289 16.807 -7.015 1.00 61.43 C ATOM 754 O ILE A 52 5.284 17.530 -7.061 1.00 40.34 O ATOM 755 CB ILE A 52 2.764 16.722 -5.041 1.00 61.44 C ATOM 756 CG1 ILE A 52 3.277 17.708 -3.990 1.00 61.30 C ATOM 757 CG2 ILE A 52 1.850 15.686 -4.403 1.00 51.52 C ATOM 758 CD1 ILE A 52 4.151 18.801 -4.563 1.00 0.51 C ATOM 0 H ILE A 52 5.580 16.804 -4.688 1.00 23.10 H new ATOM 0 HA ILE A 52 3.654 15.015 -6.015 1.00 61.44 H new ATOM 0 HB ILE A 52 2.190 17.277 -5.782 1.00 61.44 H new ATOM 0 HG12 ILE A 52 2.425 18.163 -3.484 1.00 61.30 H new ATOM 0 HG13 ILE A 52 3.842 17.161 -3.235 1.00 61.30 H new ATOM 0 HG21 ILE A 52 1.020 16.189 -3.907 1.00 51.52 H new ATOM 0 HG22 ILE A 52 1.462 15.019 -5.173 1.00 51.52 H new ATOM 0 HG23 ILE A 52 2.412 15.106 -3.671 1.00 51.52 H new ATOM 0 HD11 ILE A 52 4.478 19.463 -3.761 1.00 0.51 H new ATOM 0 HD12 ILE A 52 5.022 18.356 -5.044 1.00 0.51 H new ATOM 0 HD13 ILE A 52 3.584 19.373 -5.297 1.00 0.51 H new ATOM 770 N ASP A 53 3.459 16.652 -8.041 1.00 12.24 N ATOM 771 CA ASP A 53 3.673 17.341 -9.308 1.00 72.22 C ATOM 772 C ASP A 53 3.894 18.834 -9.085 1.00 62.41 C ATOM 773 O ASP A 53 3.551 19.388 -8.041 1.00 34.22 O ATOM 774 CB ASP A 53 2.479 17.123 -10.239 1.00 41.13 C ATOM 775 CG ASP A 53 1.162 17.071 -9.490 1.00 2.42 C ATOM 776 OD1 ASP A 53 1.019 17.807 -8.491 1.00 23.21 O ATOM 777 OD2 ASP A 53 0.275 16.295 -9.902 1.00 32.23 O ATOM 0 H ASP A 53 2.632 16.055 -8.020 1.00 12.24 H new ATOM 0 HA ASP A 53 4.567 16.926 -9.773 1.00 72.22 H new ATOM 0 HB2 ASP A 53 2.444 17.927 -10.974 1.00 41.13 H new ATOM 0 HB3 ASP A 53 2.617 16.193 -10.790 1.00 41.13 H new ATOM 782 N PRO A 54 4.483 19.501 -10.088 1.00 50.25 N ATOM 783 CA PRO A 54 4.764 20.939 -10.025 1.00 61.43 C ATOM 784 C PRO A 54 3.494 21.781 -10.080 1.00 31.42 C ATOM 785 O PRO A 54 3.536 22.997 -9.895 1.00 72.13 O ATOM 786 CB PRO A 54 5.624 21.187 -11.267 1.00 71.21 C ATOM 787 CG PRO A 54 5.245 20.100 -12.213 1.00 40.45 C ATOM 788 CD PRO A 54 4.919 18.905 -11.362 1.00 61.51 C ATOM 0 HA PRO A 54 5.250 21.219 -9.090 1.00 61.43 H new ATOM 0 HB2 PRO A 54 5.428 22.170 -11.695 1.00 71.21 H new ATOM 0 HB3 PRO A 54 6.687 21.150 -11.027 1.00 71.21 H new ATOM 0 HG2 PRO A 54 4.388 20.392 -12.820 1.00 40.45 H new ATOM 0 HG3 PRO A 54 6.062 19.879 -12.900 1.00 40.45 H new ATOM 0 HD2 PRO A 54 4.134 18.295 -11.810 1.00 61.51 H new ATOM 0 HD3 PRO A 54 5.787 18.259 -11.227 1.00 61.51 H new ATOM 796 N SER A 55 2.366 21.126 -10.334 1.00 34.52 N ATOM 797 CA SER A 55 1.083 21.815 -10.416 1.00 3.02 C ATOM 798 C SER A 55 0.525 22.091 -9.023 1.00 72.01 C ATOM 799 O SER A 55 -0.121 23.113 -8.793 1.00 2.51 O ATOM 800 CB SER A 55 0.084 20.984 -11.223 1.00 21.12 C ATOM 801 OG SER A 55 -1.026 21.768 -11.622 1.00 55.24 O ATOM 0 H SER A 55 2.314 20.119 -10.487 1.00 34.52 H new ATOM 0 HA SER A 55 1.242 22.768 -10.920 1.00 3.02 H new ATOM 0 HB2 SER A 55 0.577 20.571 -12.103 1.00 21.12 H new ATOM 0 HB3 SER A 55 -0.259 20.140 -10.625 1.00 21.12 H new ATOM 0 HG SER A 55 -1.649 21.214 -12.137 1.00 55.24 H new ATOM 807 N TRP A 56 0.778 21.172 -8.099 1.00 24.05 N ATOM 808 CA TRP A 56 0.301 21.315 -6.728 1.00 2.33 C ATOM 809 C TRP A 56 1.351 21.992 -5.854 1.00 24.03 C ATOM 810 O TRP A 56 1.034 22.541 -4.798 1.00 62.51 O ATOM 811 CB TRP A 56 -0.060 19.948 -6.146 1.00 61.40 C ATOM 812 CG TRP A 56 -1.513 19.813 -5.803 1.00 62.33 C ATOM 813 CD1 TRP A 56 -2.040 19.274 -4.664 1.00 45.22 C ATOM 814 CD2 TRP A 56 -2.624 20.222 -6.607 1.00 75.45 C ATOM 815 NE1 TRP A 56 -3.412 19.324 -4.712 1.00 21.22 N ATOM 816 CE2 TRP A 56 -3.796 19.901 -5.893 1.00 45.31 C ATOM 817 CE3 TRP A 56 -2.745 20.829 -7.860 1.00 42.12 C ATOM 818 CZ2 TRP A 56 -5.068 20.167 -6.392 1.00 42.52 C ATOM 819 CZ3 TRP A 56 -4.008 21.092 -8.354 1.00 52.33 C ATOM 820 CH2 TRP A 56 -5.156 20.763 -7.621 1.00 60.43 C ATOM 0 H TRP A 56 1.311 20.320 -8.274 1.00 24.05 H new ATOM 0 HA TRP A 56 -0.591 21.942 -6.744 1.00 2.33 H new ATOM 0 HB2 TRP A 56 0.210 19.173 -6.863 1.00 61.40 H new ATOM 0 HB3 TRP A 56 0.535 19.774 -5.250 1.00 61.40 H new ATOM 0 HD1 TRP A 56 -1.463 18.868 -3.846 1.00 45.22 H new ATOM 0 HE1 TRP A 56 -4.043 18.986 -3.985 1.00 21.22 H new ATOM 0 HE3 TRP A 56 -1.866 21.088 -8.432 1.00 42.12 H new ATOM 0 HZ2 TRP A 56 -5.954 19.912 -5.829 1.00 42.52 H new ATOM 0 HZ3 TRP A 56 -4.112 21.559 -9.322 1.00 52.33 H new ATOM 0 HH2 TRP A 56 -6.129 20.984 -8.034 1.00 60.43 H new ATOM 831 N TYR A 57 2.602 21.950 -6.299 1.00 60.25 N ATOM 832 CA TYR A 57 3.699 22.557 -5.556 1.00 3.40 C ATOM 833 C TYR A 57 3.380 24.006 -5.201 1.00 1.43 C ATOM 834 O TYR A 57 3.563 24.432 -4.060 1.00 52.41 O ATOM 835 CB TYR A 57 4.992 22.493 -6.371 1.00 2.43 C ATOM 836 CG TYR A 57 6.130 23.284 -5.764 1.00 72.25 C ATOM 837 CD1 TYR A 57 6.972 22.712 -4.819 1.00 2.01 C ATOM 838 CD2 TYR A 57 6.362 24.602 -6.136 1.00 54.22 C ATOM 839 CE1 TYR A 57 8.012 23.430 -4.262 1.00 4.44 C ATOM 840 CE2 TYR A 57 7.400 25.328 -5.585 1.00 61.44 C ATOM 841 CZ TYR A 57 8.223 24.738 -4.649 1.00 34.55 C ATOM 842 OH TYR A 57 9.257 25.457 -4.096 1.00 44.34 O ATOM 0 H TYR A 57 2.881 21.501 -7.171 1.00 60.25 H new ATOM 0 HA TYR A 57 3.832 21.996 -4.631 1.00 3.40 H new ATOM 0 HB2 TYR A 57 5.297 21.451 -6.471 1.00 2.43 H new ATOM 0 HB3 TYR A 57 4.797 22.866 -7.376 1.00 2.43 H new ATOM 0 HD1 TYR A 57 6.811 21.688 -4.515 1.00 2.01 H new ATOM 0 HD2 TYR A 57 5.720 25.067 -6.869 1.00 54.22 H new ATOM 0 HE1 TYR A 57 8.657 22.970 -3.528 1.00 4.44 H new ATOM 0 HE2 TYR A 57 7.566 26.352 -5.886 1.00 61.44 H new ATOM 0 HH TYR A 57 8.941 25.918 -3.291 1.00 44.34 H new ATOM 852 N ASP A 58 2.902 24.758 -6.186 1.00 14.33 N ATOM 853 CA ASP A 58 2.554 26.159 -5.979 1.00 4.55 C ATOM 854 C ASP A 58 1.465 26.299 -4.919 1.00 64.34 C ATOM 855 O ASP A 58 1.368 27.325 -4.247 1.00 1.44 O ATOM 856 CB ASP A 58 2.090 26.791 -7.292 1.00 11.54 C ATOM 857 CG ASP A 58 1.387 28.118 -7.079 1.00 31.30 C ATOM 858 OD1 ASP A 58 2.080 29.119 -6.799 1.00 73.34 O ATOM 859 OD2 ASP A 58 0.144 28.155 -7.193 1.00 21.10 O ATOM 0 H ASP A 58 2.747 24.421 -7.136 1.00 14.33 H new ATOM 0 HA ASP A 58 3.445 26.681 -5.629 1.00 4.55 H new ATOM 0 HB2 ASP A 58 2.950 26.940 -7.944 1.00 11.54 H new ATOM 0 HB3 ASP A 58 1.416 26.104 -7.804 1.00 11.54 H new ATOM 864 N ILE A 59 0.649 25.260 -4.778 1.00 14.30 N ATOM 865 CA ILE A 59 -0.433 25.267 -3.801 1.00 11.30 C ATOM 866 C ILE A 59 0.091 24.975 -2.399 1.00 34.20 C ATOM 867 O ILE A 59 -0.179 25.719 -1.456 1.00 31.10 O ATOM 868 CB ILE A 59 -1.520 24.235 -4.157 1.00 4.44 C ATOM 869 CG1 ILE A 59 -2.105 24.535 -5.538 1.00 73.41 C ATOM 870 CG2 ILE A 59 -2.614 24.234 -3.100 1.00 74.32 C ATOM 871 CD1 ILE A 59 -2.710 25.917 -5.652 1.00 24.32 C ATOM 0 H ILE A 59 0.716 24.403 -5.327 1.00 14.30 H new ATOM 0 HA ILE A 59 -0.871 26.265 -3.822 1.00 11.30 H new ATOM 0 HB ILE A 59 -1.067 23.244 -4.183 1.00 4.44 H new ATOM 0 HG12 ILE A 59 -1.320 24.428 -6.287 1.00 73.41 H new ATOM 0 HG13 ILE A 59 -2.869 23.793 -5.769 1.00 73.41 H new ATOM 0 HG21 ILE A 59 -3.375 23.500 -3.365 1.00 74.32 H new ATOM 0 HG22 ILE A 59 -2.184 23.978 -2.132 1.00 74.32 H new ATOM 0 HG23 ILE A 59 -3.068 25.224 -3.045 1.00 74.32 H new ATOM 0 HD11 ILE A 59 -3.105 26.059 -6.658 1.00 24.32 H new ATOM 0 HD12 ILE A 59 -3.517 26.022 -4.927 1.00 24.32 H new ATOM 0 HD13 ILE A 59 -1.944 26.667 -5.453 1.00 24.32 H new ATOM 883 N VAL A 60 0.843 23.886 -2.269 1.00 53.52 N ATOM 884 CA VAL A 60 1.408 23.496 -0.983 1.00 15.41 C ATOM 885 C VAL A 60 2.453 24.502 -0.514 1.00 42.02 C ATOM 886 O VAL A 60 2.705 24.637 0.683 1.00 41.35 O ATOM 887 CB VAL A 60 2.051 22.099 -1.053 1.00 34.41 C ATOM 888 CG1 VAL A 60 0.998 21.041 -1.347 1.00 21.40 C ATOM 889 CG2 VAL A 60 3.153 22.072 -2.101 1.00 31.31 C ATOM 0 H VAL A 60 1.075 23.258 -3.039 1.00 53.52 H new ATOM 0 HA VAL A 60 0.584 23.473 -0.269 1.00 15.41 H new ATOM 0 HB VAL A 60 2.497 21.874 -0.084 1.00 34.41 H new ATOM 0 HG11 VAL A 60 1.471 20.060 -1.393 1.00 21.40 H new ATOM 0 HG12 VAL A 60 0.247 21.045 -0.557 1.00 21.40 H new ATOM 0 HG13 VAL A 60 0.520 21.259 -2.302 1.00 21.40 H new ATOM 0 HG21 VAL A 60 3.597 21.077 -2.137 1.00 31.31 H new ATOM 0 HG22 VAL A 60 2.733 22.318 -3.077 1.00 31.31 H new ATOM 0 HG23 VAL A 60 3.920 22.802 -1.842 1.00 31.31 H new ATOM 899 N GLU A 61 3.058 25.205 -1.466 1.00 43.42 N ATOM 900 CA GLU A 61 4.078 26.199 -1.150 1.00 15.11 C ATOM 901 C GLU A 61 3.442 27.479 -0.614 1.00 20.45 C ATOM 902 O GLU A 61 4.020 28.163 0.230 1.00 15.43 O ATOM 903 CB GLU A 61 4.916 26.514 -2.390 1.00 45.31 C ATOM 904 CG GLU A 61 5.847 27.702 -2.210 1.00 21.23 C ATOM 905 CD GLU A 61 6.891 27.467 -1.135 1.00 51.02 C ATOM 906 OE1 GLU A 61 7.912 26.812 -1.432 1.00 11.31 O ATOM 907 OE2 GLU A 61 6.686 27.939 0.003 1.00 23.20 O ATOM 0 H GLU A 61 2.860 25.105 -2.462 1.00 43.42 H new ATOM 0 HA GLU A 61 4.726 25.784 -0.378 1.00 15.11 H new ATOM 0 HB2 GLU A 61 5.507 25.636 -2.651 1.00 45.31 H new ATOM 0 HB3 GLU A 61 4.248 26.710 -3.229 1.00 45.31 H new ATOM 0 HG2 GLU A 61 6.346 27.915 -3.156 1.00 21.23 H new ATOM 0 HG3 GLU A 61 5.260 28.584 -1.954 1.00 21.23 H new ATOM 914 N GLN A 62 2.250 27.794 -1.111 1.00 23.35 N ATOM 915 CA GLN A 62 1.537 28.991 -0.682 1.00 40.35 C ATOM 916 C GLN A 62 0.663 28.699 0.533 1.00 52.04 C ATOM 917 O GLN A 62 0.390 29.586 1.342 1.00 50.21 O ATOM 918 CB GLN A 62 0.678 29.534 -1.825 1.00 55.43 C ATOM 919 CG GLN A 62 -0.516 28.654 -2.160 1.00 43.25 C ATOM 920 CD GLN A 62 -1.452 29.298 -3.164 1.00 14.14 C ATOM 921 OE1 GLN A 62 -2.401 29.989 -2.790 1.00 61.11 O ATOM 922 NE2 GLN A 62 -1.191 29.075 -4.446 1.00 62.02 N ATOM 0 H GLN A 62 1.758 27.237 -1.810 1.00 23.35 H new ATOM 0 HA GLN A 62 2.275 29.743 -0.402 1.00 40.35 H new ATOM 0 HB2 GLN A 62 0.322 30.529 -1.560 1.00 55.43 H new ATOM 0 HB3 GLN A 62 1.299 29.644 -2.714 1.00 55.43 H new ATOM 0 HG2 GLN A 62 -0.161 27.703 -2.558 1.00 43.25 H new ATOM 0 HG3 GLN A 62 -1.067 28.432 -1.246 1.00 43.25 H new ATOM 0 HE21 GLN A 62 -0.394 28.496 -4.711 1.00 62.02 H new ATOM 0 HE22 GLN A 62 -1.787 29.483 -5.166 1.00 62.02 H new ATOM 931 N HIS A 63 0.226 27.450 0.654 1.00 34.42 N ATOM 932 CA HIS A 63 -0.618 27.040 1.771 1.00 12.23 C ATOM 933 C HIS A 63 0.207 26.879 3.045 1.00 54.03 C ATOM 934 O HIS A 63 -0.318 26.981 4.153 1.00 73.25 O ATOM 935 CB HIS A 63 -1.334 25.729 1.444 1.00 43.32 C ATOM 936 CG HIS A 63 -2.420 25.381 2.414 1.00 11.33 C ATOM 937 ND1 HIS A 63 -2.605 24.109 2.912 1.00 34.20 N ATOM 938 CD2 HIS A 63 -3.381 26.149 2.980 1.00 22.43 C ATOM 939 CE1 HIS A 63 -3.634 24.108 3.741 1.00 51.02 C ATOM 940 NE2 HIS A 63 -4.122 25.334 3.800 1.00 32.12 N ATOM 0 H HIS A 63 0.442 26.704 -0.007 1.00 34.42 H new ATOM 0 HA HIS A 63 -1.362 27.819 1.937 1.00 12.23 H new ATOM 0 HB2 HIS A 63 -1.760 25.797 0.443 1.00 43.32 H new ATOM 0 HB3 HIS A 63 -0.603 24.921 1.424 1.00 43.32 H new ATOM 0 HD2 HIS A 63 -3.536 27.205 2.817 1.00 22.43 H new ATOM 0 HE1 HIS A 63 -4.012 23.251 4.279 1.00 51.02 H new ATOM 0 HE2 HIS A 63 -4.920 25.628 4.363 1.00 32.12 H new ATOM 948 N ASN A 64 1.501 26.626 2.878 1.00 52.33 N ATOM 949 CA ASN A 64 2.398 26.450 4.014 1.00 72.51 C ATOM 950 C ASN A 64 3.463 27.542 4.041 1.00 35.14 C ATOM 951 O ASN A 64 4.138 27.788 3.043 1.00 2.31 O ATOM 952 CB ASN A 64 3.064 25.074 3.955 1.00 63.51 C ATOM 953 CG ASN A 64 2.240 24.002 4.641 1.00 33.24 C ATOM 954 OD1 ASN A 64 2.657 23.433 5.650 1.00 11.14 O ATOM 955 ND2 ASN A 64 1.062 23.721 4.095 1.00 2.14 N ATOM 0 H ASN A 64 1.952 26.538 1.967 1.00 52.33 H new ATOM 0 HA ASN A 64 1.807 26.522 4.927 1.00 72.51 H new ATOM 0 HB2 ASN A 64 3.223 24.795 2.913 1.00 63.51 H new ATOM 0 HB3 ASN A 64 4.046 25.129 4.424 1.00 63.51 H new ATOM 0 HD21 ASN A 64 0.463 23.009 4.513 1.00 2.14 H new ATOM 0 HD22 ASN A 64 0.756 24.218 3.258 1.00 2.14 H new ATOM 962 N GLU A 65 3.606 28.192 5.192 1.00 53.40 N ATOM 963 CA GLU A 65 4.588 29.258 5.349 1.00 42.42 C ATOM 964 C GLU A 65 5.940 28.694 5.778 1.00 55.11 C ATOM 965 O GLU A 65 6.009 27.668 6.455 1.00 74.44 O ATOM 966 CB GLU A 65 4.102 30.283 6.376 1.00 51.33 C ATOM 967 CG GLU A 65 4.070 29.751 7.799 1.00 42.34 C ATOM 968 CD GLU A 65 3.301 30.655 8.742 1.00 13.03 C ATOM 969 OE1 GLU A 65 3.597 31.868 8.775 1.00 70.13 O ATOM 970 OE2 GLU A 65 2.403 30.150 9.448 1.00 10.01 O ATOM 0 H GLU A 65 3.055 27.999 6.028 1.00 53.40 H new ATOM 0 HA GLU A 65 4.709 29.750 4.384 1.00 42.42 H new ATOM 0 HB2 GLU A 65 4.751 31.158 6.339 1.00 51.33 H new ATOM 0 HB3 GLU A 65 3.102 30.616 6.099 1.00 51.33 H new ATOM 0 HG2 GLU A 65 3.617 28.759 7.802 1.00 42.34 H new ATOM 0 HG3 GLU A 65 5.091 29.636 8.163 1.00 42.34 H new ATOM 977 N ILE A 66 7.011 29.372 5.379 1.00 75.31 N ATOM 978 CA ILE A 66 8.359 28.939 5.722 1.00 24.32 C ATOM 979 C ILE A 66 9.026 29.922 6.679 1.00 75.22 C ATOM 980 O ILE A 66 9.035 31.129 6.438 1.00 71.12 O ATOM 981 CB ILE A 66 9.238 28.786 4.467 1.00 42.13 C ATOM 982 CG1 ILE A 66 9.108 30.021 3.573 1.00 75.02 C ATOM 983 CG2 ILE A 66 8.855 27.528 3.701 1.00 15.43 C ATOM 984 CD1 ILE A 66 9.953 29.952 2.320 1.00 12.42 C ATOM 0 H ILE A 66 6.971 30.223 4.818 1.00 75.31 H new ATOM 0 HA ILE A 66 8.264 27.969 6.209 1.00 24.32 H new ATOM 0 HB ILE A 66 10.278 28.694 4.779 1.00 42.13 H new ATOM 0 HG12 ILE A 66 8.063 30.146 3.290 1.00 75.02 H new ATOM 0 HG13 ILE A 66 9.392 30.905 4.145 1.00 75.02 H new ATOM 0 HG21 ILE A 66 9.485 27.434 2.817 1.00 15.43 H new ATOM 0 HG22 ILE A 66 8.995 26.656 4.340 1.00 15.43 H new ATOM 0 HG23 ILE A 66 7.810 27.591 3.397 1.00 15.43 H new ATOM 0 HD11 ILE A 66 9.811 30.860 1.735 1.00 12.42 H new ATOM 0 HD12 ILE A 66 11.004 29.858 2.594 1.00 12.42 H new ATOM 0 HD13 ILE A 66 9.654 29.088 1.727 1.00 12.42 H new ATOM 996 N SER A 67 9.584 29.396 7.765 1.00 53.33 N ATOM 997 CA SER A 67 10.251 30.228 8.760 1.00 62.44 C ATOM 998 C SER A 67 11.683 30.539 8.335 1.00 40.22 C ATOM 999 O SER A 67 12.087 30.242 7.211 1.00 65.33 O ATOM 1000 CB SER A 67 10.251 29.530 10.121 1.00 65.30 C ATOM 1001 OG SER A 67 8.951 29.087 10.468 1.00 54.25 O ATOM 0 H SER A 67 9.587 28.399 7.978 1.00 53.33 H new ATOM 0 HA SER A 67 9.702 31.166 8.841 1.00 62.44 H new ATOM 0 HB2 SER A 67 10.934 28.680 10.097 1.00 65.30 H new ATOM 0 HB3 SER A 67 10.621 30.215 10.884 1.00 65.30 H new ATOM 0 HG SER A 67 8.979 28.643 11.341 1.00 54.25 H new ATOM 1007 N ASP A 68 12.445 31.140 9.242 1.00 12.30 N ATOM 1008 CA ASP A 68 13.832 31.492 8.963 1.00 4.14 C ATOM 1009 C ASP A 68 14.669 30.242 8.709 1.00 3.31 C ATOM 1010 O ASP A 68 15.607 30.264 7.913 1.00 4.01 O ATOM 1011 CB ASP A 68 14.423 32.288 10.128 1.00 12.13 C ATOM 1012 CG ASP A 68 13.782 33.654 10.280 1.00 63.11 C ATOM 1013 OD1 ASP A 68 14.072 34.541 9.450 1.00 62.02 O ATOM 1014 OD2 ASP A 68 12.990 33.835 11.228 1.00 4.40 O ATOM 0 H ASP A 68 12.125 31.394 10.177 1.00 12.30 H new ATOM 0 HA ASP A 68 13.851 32.109 8.065 1.00 4.14 H new ATOM 0 HB2 ASP A 68 14.294 31.724 11.052 1.00 12.13 H new ATOM 0 HB3 ASP A 68 15.496 32.408 9.975 1.00 12.13 H new ATOM 1019 N GLU A 69 14.323 29.155 9.392 1.00 43.42 N ATOM 1020 CA GLU A 69 15.045 27.897 9.240 1.00 13.25 C ATOM 1021 C GLU A 69 14.565 27.140 8.005 1.00 4.41 C ATOM 1022 O GLU A 69 15.364 26.551 7.277 1.00 11.45 O ATOM 1023 CB GLU A 69 14.865 27.028 10.486 1.00 31.55 C ATOM 1024 CG GLU A 69 13.415 26.683 10.785 1.00 42.54 C ATOM 1025 CD GLU A 69 13.255 25.900 12.073 1.00 74.12 C ATOM 1026 OE1 GLU A 69 13.577 26.451 13.146 1.00 43.30 O ATOM 1027 OE2 GLU A 69 12.807 24.736 12.008 1.00 11.11 O ATOM 0 H GLU A 69 13.549 29.120 10.055 1.00 43.42 H new ATOM 0 HA GLU A 69 16.103 28.127 9.115 1.00 13.25 H new ATOM 0 HB2 GLU A 69 15.430 26.105 10.359 1.00 31.55 H new ATOM 0 HB3 GLU A 69 15.291 27.547 11.345 1.00 31.55 H new ATOM 0 HG2 GLU A 69 12.832 27.602 10.848 1.00 42.54 H new ATOM 0 HG3 GLU A 69 13.006 26.103 9.958 1.00 42.54 H new ATOM 1034 N GLU A 70 13.256 27.161 7.776 1.00 10.44 N ATOM 1035 CA GLU A 70 12.670 26.476 6.630 1.00 3.13 C ATOM 1036 C GLU A 70 13.100 27.137 5.324 1.00 74.14 C ATOM 1037 O GLU A 70 13.705 26.499 4.463 1.00 1.42 O ATOM 1038 CB GLU A 70 11.144 26.473 6.735 1.00 32.34 C ATOM 1039 CG GLU A 70 10.494 25.247 6.115 1.00 13.32 C ATOM 1040 CD GLU A 70 10.664 24.003 6.965 1.00 2.22 C ATOM 1041 OE1 GLU A 70 10.852 24.145 8.192 1.00 64.23 O ATOM 1042 OE2 GLU A 70 10.610 22.889 6.405 1.00 72.15 O ATOM 0 H GLU A 70 12.581 27.645 8.369 1.00 10.44 H new ATOM 0 HA GLU A 70 13.029 25.447 6.632 1.00 3.13 H new ATOM 0 HB2 GLU A 70 10.860 26.532 7.786 1.00 32.34 H new ATOM 0 HB3 GLU A 70 10.753 27.367 6.248 1.00 32.34 H new ATOM 0 HG2 GLU A 70 9.431 25.439 5.968 1.00 13.32 H new ATOM 0 HG3 GLU A 70 10.926 25.071 5.130 1.00 13.32 H new ATOM 1049 N ASN A 71 12.780 28.419 5.183 1.00 4.51 N ATOM 1050 CA ASN A 71 13.132 29.167 3.981 1.00 13.34 C ATOM 1051 C ASN A 71 14.636 29.123 3.733 1.00 4.25 C ATOM 1052 O ASN A 71 15.094 29.269 2.600 1.00 53.02 O ATOM 1053 CB ASN A 71 12.666 30.620 4.105 1.00 22.40 C ATOM 1054 CG ASN A 71 13.034 31.450 2.891 1.00 40.04 C ATOM 1055 OD1 ASN A 71 13.517 32.575 3.017 1.00 1.33 O ATOM 1056 ND2 ASN A 71 12.806 30.897 1.705 1.00 41.11 N ATOM 0 H ASN A 71 12.278 28.962 5.886 1.00 4.51 H new ATOM 0 HA ASN A 71 12.629 28.702 3.133 1.00 13.34 H new ATOM 0 HB2 ASN A 71 11.585 30.642 4.242 1.00 22.40 H new ATOM 0 HB3 ASN A 71 13.109 31.066 4.995 1.00 22.40 H new ATOM 0 HD21 ASN A 71 13.033 31.408 0.852 1.00 41.11 H new ATOM 0 HD22 ASN A 71 12.404 29.961 1.647 1.00 41.11 H new ATOM 1063 N ASP A 72 15.400 28.921 4.801 1.00 24.51 N ATOM 1064 CA ASP A 72 16.854 28.855 4.700 1.00 52.20 C ATOM 1065 C ASP A 72 17.297 27.533 4.080 1.00 15.51 C ATOM 1066 O ASP A 72 17.924 27.513 3.022 1.00 72.44 O ATOM 1067 CB ASP A 72 17.490 29.024 6.080 1.00 5.04 C ATOM 1068 CG ASP A 72 18.963 28.663 6.087 1.00 51.12 C ATOM 1069 OD1 ASP A 72 19.278 27.455 6.061 1.00 61.21 O ATOM 1070 OD2 ASP A 72 19.800 29.589 6.117 1.00 61.12 O ATOM 0 H ASP A 72 15.037 28.800 5.747 1.00 24.51 H new ATOM 0 HA ASP A 72 17.186 29.667 4.053 1.00 52.20 H new ATOM 0 HB2 ASP A 72 17.370 30.057 6.408 1.00 5.04 H new ATOM 0 HB3 ASP A 72 16.962 28.398 6.799 1.00 5.04 H new ATOM 1075 N MET A 73 16.966 26.433 4.748 1.00 63.33 N ATOM 1076 CA MET A 73 17.330 25.107 4.262 1.00 61.23 C ATOM 1077 C MET A 73 16.770 24.868 2.863 1.00 34.43 C ATOM 1078 O MET A 73 17.313 24.074 2.093 1.00 15.22 O ATOM 1079 CB MET A 73 16.817 24.030 5.220 1.00 3.44 C ATOM 1080 CG MET A 73 17.814 23.660 6.307 1.00 74.41 C ATOM 1081 SD MET A 73 18.031 24.970 7.526 1.00 30.35 S ATOM 1082 CE MET A 73 16.977 24.379 8.849 1.00 3.20 C ATOM 0 H MET A 73 16.447 26.433 5.626 1.00 63.33 H new ATOM 0 HA MET A 73 18.418 25.051 4.213 1.00 61.23 H new ATOM 0 HB2 MET A 73 15.896 24.379 5.687 1.00 3.44 H new ATOM 0 HB3 MET A 73 16.566 23.136 4.649 1.00 3.44 H new ATOM 0 HG2 MET A 73 17.477 22.753 6.810 1.00 74.41 H new ATOM 0 HG3 MET A 73 18.777 23.432 5.849 1.00 74.41 H new ATOM 0 HE1 MET A 73 17.227 24.900 9.773 1.00 3.20 H new ATOM 0 HE2 MET A 73 15.934 24.569 8.596 1.00 3.20 H new ATOM 0 HE3 MET A 73 17.128 23.308 8.984 1.00 3.20 H new ATOM 1092 N LEU A 74 15.681 25.557 2.541 1.00 1.43 N ATOM 1093 CA LEU A 74 15.047 25.420 1.235 1.00 74.31 C ATOM 1094 C LEU A 74 15.848 26.148 0.161 1.00 63.13 C ATOM 1095 O LEU A 74 15.808 25.781 -1.014 1.00 14.22 O ATOM 1096 CB LEU A 74 13.618 25.966 1.279 1.00 24.35 C ATOM 1097 CG LEU A 74 12.885 26.038 -0.060 1.00 63.15 C ATOM 1098 CD1 LEU A 74 11.394 25.816 0.135 1.00 75.14 C ATOM 1099 CD2 LEU A 74 13.143 27.376 -0.738 1.00 61.10 C ATOM 0 H LEU A 74 15.219 26.216 3.167 1.00 1.43 H new ATOM 0 HA LEU A 74 15.017 24.360 0.984 1.00 74.31 H new ATOM 0 HB2 LEU A 74 13.034 25.344 1.957 1.00 24.35 H new ATOM 0 HB3 LEU A 74 13.646 26.967 1.709 1.00 24.35 H new ATOM 0 HG LEU A 74 13.268 25.247 -0.705 1.00 63.15 H new ATOM 0 HD11 LEU A 74 10.889 25.871 -0.829 1.00 75.14 H new ATOM 0 HD12 LEU A 74 11.227 24.834 0.577 1.00 75.14 H new ATOM 0 HD13 LEU A 74 10.995 26.584 0.798 1.00 75.14 H new ATOM 0 HD21 LEU A 74 12.613 27.410 -1.690 1.00 61.10 H new ATOM 0 HD22 LEU A 74 12.789 28.183 -0.097 1.00 61.10 H new ATOM 0 HD23 LEU A 74 14.212 27.495 -0.913 1.00 61.10 H new ATOM 1111 N ASP A 75 16.578 27.179 0.572 1.00 54.33 N ATOM 1112 CA ASP A 75 17.392 27.957 -0.355 1.00 11.33 C ATOM 1113 C ASP A 75 18.622 27.168 -0.792 1.00 73.33 C ATOM 1114 O ASP A 75 19.123 27.344 -1.904 1.00 32.04 O ATOM 1115 CB ASP A 75 17.820 29.275 0.292 1.00 4.24 C ATOM 1116 CG ASP A 75 17.340 30.485 -0.485 1.00 22.00 C ATOM 1117 OD1 ASP A 75 17.869 30.728 -1.590 1.00 2.14 O ATOM 1118 OD2 ASP A 75 16.436 31.189 0.012 1.00 40.24 O ATOM 0 H ASP A 75 16.623 27.495 1.541 1.00 54.33 H new ATOM 0 HA ASP A 75 16.789 28.173 -1.237 1.00 11.33 H new ATOM 0 HB2 ASP A 75 17.429 29.321 1.308 1.00 4.24 H new ATOM 0 HB3 ASP A 75 18.907 29.303 0.367 1.00 4.24 H new ATOM 1123 N LEU A 76 19.104 26.298 0.088 1.00 31.14 N ATOM 1124 CA LEU A 76 20.276 25.481 -0.206 1.00 43.31 C ATOM 1125 C LEU A 76 19.869 24.146 -0.821 1.00 23.01 C ATOM 1126 O LEU A 76 20.691 23.241 -0.963 1.00 33.33 O ATOM 1127 CB LEU A 76 21.089 25.243 1.068 1.00 61.34 C ATOM 1128 CG LEU A 76 22.039 26.368 1.479 1.00 53.44 C ATOM 1129 CD1 LEU A 76 23.069 26.622 0.389 1.00 24.33 C ATOM 1130 CD2 LEU A 76 21.259 27.639 1.783 1.00 1.25 C ATOM 0 H LEU A 76 18.701 26.140 1.012 1.00 31.14 H new ATOM 0 HA LEU A 76 20.892 26.019 -0.927 1.00 43.31 H new ATOM 0 HB2 LEU A 76 20.395 25.063 1.889 1.00 61.34 H new ATOM 0 HB3 LEU A 76 21.672 24.332 0.938 1.00 61.34 H new ATOM 0 HG LEU A 76 22.565 26.062 2.383 1.00 53.44 H new ATOM 0 HD11 LEU A 76 23.736 27.426 0.699 1.00 24.33 H new ATOM 0 HD12 LEU A 76 23.649 25.715 0.218 1.00 24.33 H new ATOM 0 HD13 LEU A 76 22.561 26.907 -0.532 1.00 24.33 H new ATOM 0 HD21 LEU A 76 21.951 28.430 2.074 1.00 1.25 H new ATOM 0 HD22 LEU A 76 20.707 27.948 0.895 1.00 1.25 H new ATOM 0 HD23 LEU A 76 20.560 27.451 2.598 1.00 1.25 H new ATOM 1142 N ALA A 77 18.597 24.032 -1.186 1.00 35.10 N ATOM 1143 CA ALA A 77 18.082 22.809 -1.790 1.00 14.24 C ATOM 1144 C ALA A 77 18.816 22.486 -3.087 1.00 34.14 C ATOM 1145 O ALA A 77 18.507 23.041 -4.141 1.00 73.13 O ATOM 1146 CB ALA A 77 16.587 22.935 -2.044 1.00 52.21 C ATOM 0 H ALA A 77 17.904 24.772 -1.074 1.00 35.10 H new ATOM 0 HA ALA A 77 18.253 21.989 -1.093 1.00 14.24 H new ATOM 0 HB1 ALA A 77 16.216 22.015 -2.495 1.00 52.21 H new ATOM 0 HB2 ALA A 77 16.071 23.110 -1.100 1.00 52.21 H new ATOM 0 HB3 ALA A 77 16.402 23.770 -2.719 1.00 52.21 H new ATOM 1152 N PHE A 78 19.789 21.586 -3.001 1.00 62.54 N ATOM 1153 CA PHE A 78 20.569 21.190 -4.169 1.00 33.35 C ATOM 1154 C PHE A 78 20.218 19.769 -4.601 1.00 14.02 C ATOM 1155 O PHE A 78 20.263 18.836 -3.801 1.00 25.34 O ATOM 1156 CB PHE A 78 22.065 21.288 -3.866 1.00 24.52 C ATOM 1157 CG PHE A 78 22.496 22.651 -3.405 1.00 31.30 C ATOM 1158 CD1 PHE A 78 22.076 23.788 -4.076 1.00 21.11 C ATOM 1159 CD2 PHE A 78 23.321 22.795 -2.301 1.00 71.21 C ATOM 1160 CE1 PHE A 78 22.470 25.044 -3.654 1.00 61.03 C ATOM 1161 CE2 PHE A 78 23.718 24.048 -1.875 1.00 12.13 C ATOM 1162 CZ PHE A 78 23.293 25.174 -2.553 1.00 31.02 C ATOM 0 H PHE A 78 20.057 21.117 -2.136 1.00 62.54 H new ATOM 0 HA PHE A 78 20.325 21.870 -4.985 1.00 33.35 H new ATOM 0 HB2 PHE A 78 22.321 20.556 -3.100 1.00 24.52 H new ATOM 0 HB3 PHE A 78 22.627 21.022 -4.761 1.00 24.52 H new ATOM 0 HD1 PHE A 78 21.433 23.692 -4.939 1.00 21.11 H new ATOM 0 HD2 PHE A 78 23.657 21.918 -1.768 1.00 71.21 H new ATOM 0 HE1 PHE A 78 22.134 25.923 -4.185 1.00 61.03 H new ATOM 0 HE2 PHE A 78 24.360 24.147 -1.012 1.00 12.13 H new ATOM 0 HZ PHE A 78 23.604 26.154 -2.223 1.00 31.02 H new ATOM 1172 N GLY A 79 19.866 19.614 -5.874 1.00 31.23 N ATOM 1173 CA GLY A 79 19.511 18.305 -6.391 1.00 2.10 C ATOM 1174 C GLY A 79 18.012 18.115 -6.508 1.00 71.12 C ATOM 1175 O GLY A 79 17.529 17.501 -7.460 1.00 70.25 O ATOM 0 H GLY A 79 19.820 20.371 -6.556 1.00 31.23 H new ATOM 0 HA2 GLY A 79 19.969 18.168 -7.371 1.00 2.10 H new ATOM 0 HA3 GLY A 79 19.922 17.536 -5.737 1.00 2.10 H new ATOM 1179 N LEU A 80 17.273 18.641 -5.538 1.00 31.24 N ATOM 1180 CA LEU A 80 15.819 18.525 -5.535 1.00 33.42 C ATOM 1181 C LEU A 80 15.201 19.392 -6.627 1.00 10.12 C ATOM 1182 O LEU A 80 15.769 20.411 -7.022 1.00 30.02 O ATOM 1183 CB LEU A 80 15.258 18.927 -4.170 1.00 10.04 C ATOM 1184 CG LEU A 80 13.805 18.536 -3.899 1.00 72.41 C ATOM 1185 CD1 LEU A 80 13.741 17.310 -3.001 1.00 75.44 C ATOM 1186 CD2 LEU A 80 13.047 19.697 -3.273 1.00 42.42 C ATOM 0 H LEU A 80 17.657 19.152 -4.743 1.00 31.24 H new ATOM 0 HA LEU A 80 15.562 17.485 -5.734 1.00 33.42 H new ATOM 0 HB2 LEU A 80 15.883 18.481 -3.397 1.00 10.04 H new ATOM 0 HB3 LEU A 80 15.347 20.008 -4.067 1.00 10.04 H new ATOM 0 HG LEU A 80 13.332 18.291 -4.850 1.00 72.41 H new ATOM 0 HD11 LEU A 80 12.699 17.046 -2.819 1.00 75.44 H new ATOM 0 HD12 LEU A 80 14.247 16.476 -3.487 1.00 75.44 H new ATOM 0 HD13 LEU A 80 14.231 17.528 -2.052 1.00 75.44 H new ATOM 0 HD21 LEU A 80 12.015 19.400 -3.087 1.00 42.42 H new ATOM 0 HD22 LEU A 80 13.520 19.974 -2.331 1.00 42.42 H new ATOM 0 HD23 LEU A 80 13.063 20.550 -3.952 1.00 42.42 H new ATOM 1198 N THR A 81 14.032 18.983 -7.110 1.00 62.34 N ATOM 1199 CA THR A 81 13.336 19.722 -8.156 1.00 3.43 C ATOM 1200 C THR A 81 12.397 20.764 -7.560 1.00 14.24 C ATOM 1201 O THR A 81 12.289 20.891 -6.340 1.00 35.23 O ATOM 1202 CB THR A 81 12.528 18.780 -9.067 1.00 53.24 C ATOM 1203 OG1 THR A 81 11.325 18.371 -8.406 1.00 42.41 O ATOM 1204 CG2 THR A 81 13.348 17.555 -9.443 1.00 13.03 C ATOM 0 H THR A 81 13.547 18.143 -6.793 1.00 62.34 H new ATOM 0 HA THR A 81 14.100 20.223 -8.751 1.00 3.43 H new ATOM 0 HB THR A 81 12.275 19.322 -9.978 1.00 53.24 H new ATOM 0 HG1 THR A 81 10.816 17.773 -8.993 1.00 42.41 H new ATOM 0 HG21 THR A 81 12.756 16.904 -10.087 1.00 13.03 H new ATOM 0 HG22 THR A 81 14.248 17.868 -9.972 1.00 13.03 H new ATOM 0 HG23 THR A 81 13.628 17.014 -8.540 1.00 13.03 H new ATOM 1212 N ASP A 82 11.718 21.507 -8.427 1.00 5.51 N ATOM 1213 CA ASP A 82 10.786 22.538 -7.986 1.00 33.15 C ATOM 1214 C ASP A 82 9.411 21.941 -7.703 1.00 34.04 C ATOM 1215 O ASP A 82 8.473 22.655 -7.345 1.00 20.23 O ATOM 1216 CB ASP A 82 10.670 23.638 -9.042 1.00 23.11 C ATOM 1217 CG ASP A 82 11.755 24.688 -8.905 1.00 42.02 C ATOM 1218 OD1 ASP A 82 11.953 25.194 -7.780 1.00 64.14 O ATOM 1219 OD2 ASP A 82 12.407 25.003 -9.923 1.00 14.44 O ATOM 0 H ASP A 82 11.796 21.414 -9.440 1.00 5.51 H new ATOM 0 HA ASP A 82 11.172 22.971 -7.063 1.00 33.15 H new ATOM 0 HB2 ASP A 82 10.724 23.192 -10.035 1.00 23.11 H new ATOM 0 HB3 ASP A 82 9.694 24.116 -8.959 1.00 23.11 H new ATOM 1224 N THR A 83 9.296 20.627 -7.866 1.00 64.44 N ATOM 1225 CA THR A 83 8.036 19.934 -7.631 1.00 61.41 C ATOM 1226 C THR A 83 8.017 19.278 -6.255 1.00 5.41 C ATOM 1227 O THR A 83 6.953 18.985 -5.711 1.00 11.32 O ATOM 1228 CB THR A 83 7.778 18.858 -8.703 1.00 32.11 C ATOM 1229 OG1 THR A 83 8.435 17.638 -8.341 1.00 40.21 O ATOM 1230 CG2 THR A 83 8.272 19.321 -10.065 1.00 11.41 C ATOM 0 H THR A 83 10.062 20.021 -8.160 1.00 64.44 H new ATOM 0 HA THR A 83 7.248 20.685 -7.683 1.00 61.41 H new ATOM 0 HB THR A 83 6.703 18.687 -8.763 1.00 32.11 H new ATOM 0 HG1 THR A 83 8.265 16.959 -9.027 1.00 40.21 H new ATOM 0 HG21 THR A 83 8.079 18.545 -10.805 1.00 11.41 H new ATOM 0 HG22 THR A 83 7.749 20.233 -10.351 1.00 11.41 H new ATOM 0 HG23 THR A 83 9.343 19.517 -10.016 1.00 11.41 H new ATOM 1238 N SER A 84 9.202 19.052 -5.696 1.00 62.34 N ATOM 1239 CA SER A 84 9.322 18.428 -4.384 1.00 33.22 C ATOM 1240 C SER A 84 9.590 19.475 -3.307 1.00 72.21 C ATOM 1241 O SER A 84 9.815 20.647 -3.608 1.00 55.21 O ATOM 1242 CB SER A 84 10.444 17.388 -4.390 1.00 75.44 C ATOM 1243 OG SER A 84 10.510 16.702 -3.152 1.00 64.21 O ATOM 0 H SER A 84 10.092 19.292 -6.132 1.00 62.34 H new ATOM 0 HA SER A 84 8.378 17.932 -4.158 1.00 33.22 H new ATOM 0 HB2 SER A 84 10.278 16.674 -5.197 1.00 75.44 H new ATOM 0 HB3 SER A 84 11.397 17.878 -4.589 1.00 75.44 H new ATOM 0 HG SER A 84 10.989 15.855 -3.272 1.00 64.21 H new ATOM 1249 N ARG A 85 9.564 19.042 -2.051 1.00 1.33 N ATOM 1250 CA ARG A 85 9.803 19.941 -0.928 1.00 51.41 C ATOM 1251 C ARG A 85 11.168 19.676 -0.300 1.00 40.20 C ATOM 1252 O ARG A 85 11.915 18.810 -0.756 1.00 25.31 O ATOM 1253 CB ARG A 85 8.705 19.780 0.125 1.00 60.32 C ATOM 1254 CG ARG A 85 7.309 20.072 -0.401 1.00 2.53 C ATOM 1255 CD ARG A 85 6.251 19.834 0.665 1.00 3.33 C ATOM 1256 NE ARG A 85 6.008 21.028 1.471 1.00 31.32 N ATOM 1257 CZ ARG A 85 4.994 21.147 2.321 1.00 73.52 C ATOM 1258 NH1 ARG A 85 4.133 20.150 2.475 1.00 62.43 N ATOM 1259 NH2 ARG A 85 4.839 22.264 3.019 1.00 51.21 N ATOM 0 H ARG A 85 9.380 18.075 -1.785 1.00 1.33 H new ATOM 0 HA ARG A 85 9.788 20.964 -1.305 1.00 51.41 H new ATOM 0 HB2 ARG A 85 8.732 18.762 0.513 1.00 60.32 H new ATOM 0 HB3 ARG A 85 8.915 20.446 0.962 1.00 60.32 H new ATOM 0 HG2 ARG A 85 7.257 21.106 -0.743 1.00 2.53 H new ATOM 0 HG3 ARG A 85 7.105 19.440 -1.265 1.00 2.53 H new ATOM 0 HD2 ARG A 85 5.321 19.522 0.190 1.00 3.33 H new ATOM 0 HD3 ARG A 85 6.567 19.017 1.314 1.00 3.33 H new ATOM 0 HE ARG A 85 6.652 21.813 1.376 1.00 31.32 H new ATOM 0 HH11 ARG A 85 4.249 19.289 1.940 1.00 62.43 H new ATOM 0 HH12 ARG A 85 3.355 20.244 3.128 1.00 62.43 H new ATOM 0 HH21 ARG A 85 5.499 23.033 2.904 1.00 51.21 H new ATOM 0 HH22 ARG A 85 4.060 22.354 3.671 1.00 51.21 H new ATOM 1273 N LEU A 86 11.487 20.428 0.748 1.00 62.41 N ATOM 1274 CA LEU A 86 12.763 20.275 1.439 1.00 32.51 C ATOM 1275 C LEU A 86 13.019 18.813 1.792 1.00 33.14 C ATOM 1276 O LEU A 86 12.307 18.227 2.607 1.00 61.20 O ATOM 1277 CB LEU A 86 12.784 21.129 2.708 1.00 74.13 C ATOM 1278 CG LEU A 86 14.165 21.552 3.209 1.00 33.04 C ATOM 1279 CD1 LEU A 86 14.041 22.670 4.233 1.00 24.11 C ATOM 1280 CD2 LEU A 86 14.904 20.362 3.803 1.00 21.21 C ATOM 0 H LEU A 86 10.880 21.149 1.138 1.00 62.41 H new ATOM 0 HA LEU A 86 13.554 20.612 0.769 1.00 32.51 H new ATOM 0 HB2 LEU A 86 12.194 22.028 2.527 1.00 74.13 H new ATOM 0 HB3 LEU A 86 12.285 20.575 3.503 1.00 74.13 H new ATOM 0 HG LEU A 86 14.740 21.925 2.361 1.00 33.04 H new ATOM 0 HD11 LEU A 86 15.034 22.958 4.579 1.00 24.11 H new ATOM 0 HD12 LEU A 86 13.552 23.530 3.775 1.00 24.11 H new ATOM 0 HD13 LEU A 86 13.448 22.324 5.080 1.00 24.11 H new ATOM 0 HD21 LEU A 86 15.885 20.681 4.155 1.00 21.21 H new ATOM 0 HD22 LEU A 86 14.332 19.959 4.639 1.00 21.21 H new ATOM 0 HD23 LEU A 86 15.025 19.592 3.041 1.00 21.21 H new ATOM 1292 N GLY A 87 14.042 18.230 1.175 1.00 50.34 N ATOM 1293 CA GLY A 87 14.375 16.843 1.439 1.00 62.25 C ATOM 1294 C GLY A 87 15.582 16.376 0.648 1.00 34.24 C ATOM 1295 O GLY A 87 16.349 15.533 1.115 1.00 61.04 O ATOM 0 H GLY A 87 14.646 18.694 0.497 1.00 50.34 H new ATOM 0 HA2 GLY A 87 14.571 16.716 2.504 1.00 62.25 H new ATOM 0 HA3 GLY A 87 13.519 16.214 1.195 1.00 62.25 H new ATOM 1299 N CYS A 88 15.749 16.922 -0.551 1.00 11.33 N ATOM 1300 CA CYS A 88 16.870 16.555 -1.409 1.00 34.31 C ATOM 1301 C CYS A 88 16.957 15.041 -1.570 1.00 61.51 C ATOM 1302 O CYS A 88 18.043 14.487 -1.743 1.00 12.54 O ATOM 1303 CB CYS A 88 18.179 17.095 -0.832 1.00 60.13 C ATOM 1304 SG CYS A 88 18.277 18.900 -0.788 1.00 62.23 S ATOM 0 H CYS A 88 15.123 17.620 -0.951 1.00 11.33 H new ATOM 0 HA CYS A 88 16.705 16.998 -2.391 1.00 34.31 H new ATOM 0 HB2 CYS A 88 18.304 16.710 0.180 1.00 60.13 H new ATOM 0 HB3 CYS A 88 19.010 16.711 -1.423 1.00 60.13 H new ATOM 0 HG CYS A 88 19.419 19.260 -0.282 1.00 62.23 H new ATOM 1310 N GLN A 89 15.807 14.377 -1.511 1.00 20.12 N ATOM 1311 CA GLN A 89 15.755 12.926 -1.648 1.00 12.21 C ATOM 1312 C GLN A 89 14.826 12.520 -2.788 1.00 2.24 C ATOM 1313 O GLN A 89 15.120 11.589 -3.538 1.00 53.33 O ATOM 1314 CB GLN A 89 15.287 12.286 -0.340 1.00 74.20 C ATOM 1315 CG GLN A 89 16.389 12.145 0.697 1.00 21.11 C ATOM 1316 CD GLN A 89 17.458 11.153 0.282 1.00 51.42 C ATOM 1317 OE1 GLN A 89 17.321 10.462 -0.728 1.00 0.10 O ATOM 1318 NE2 GLN A 89 18.531 11.079 1.060 1.00 21.43 N ATOM 0 H GLN A 89 14.899 14.820 -1.369 1.00 20.12 H new ATOM 0 HA GLN A 89 16.760 12.571 -1.879 1.00 12.21 H new ATOM 0 HB2 GLN A 89 14.479 12.886 0.080 1.00 74.20 H new ATOM 0 HB3 GLN A 89 14.874 11.301 -0.555 1.00 74.20 H new ATOM 0 HG2 GLN A 89 16.849 13.118 0.868 1.00 21.11 H new ATOM 0 HG3 GLN A 89 15.953 11.828 1.644 1.00 21.11 H new ATOM 0 HE21 GLN A 89 18.603 11.671 1.888 1.00 21.43 H new ATOM 0 HE22 GLN A 89 19.284 10.430 0.830 1.00 21.43 H new ATOM 1327 N ILE A 90 13.706 13.224 -2.910 1.00 72.34 N ATOM 1328 CA ILE A 90 12.735 12.936 -3.959 1.00 40.41 C ATOM 1329 C ILE A 90 12.370 11.456 -3.980 1.00 22.12 C ATOM 1330 O ILE A 90 12.777 10.719 -4.878 1.00 25.40 O ATOM 1331 CB ILE A 90 13.268 13.342 -5.346 1.00 61.30 C ATOM 1332 CG1 ILE A 90 14.141 14.594 -5.235 1.00 73.43 C ATOM 1333 CG2 ILE A 90 12.114 13.577 -6.309 1.00 10.31 C ATOM 1334 CD1 ILE A 90 14.665 15.084 -6.567 1.00 0.45 C ATOM 0 H ILE A 90 13.448 13.997 -2.296 1.00 72.34 H new ATOM 0 HA ILE A 90 11.845 13.523 -3.734 1.00 40.41 H new ATOM 0 HB ILE A 90 13.880 12.529 -5.736 1.00 61.30 H new ATOM 0 HG12 ILE A 90 13.563 15.390 -4.766 1.00 73.43 H new ATOM 0 HG13 ILE A 90 14.984 14.382 -4.577 1.00 73.43 H new ATOM 0 HG21 ILE A 90 12.507 13.863 -7.285 1.00 10.31 H new ATOM 0 HG22 ILE A 90 11.530 12.662 -6.407 1.00 10.31 H new ATOM 0 HG23 ILE A 90 11.477 14.375 -5.926 1.00 10.31 H new ATOM 0 HD11 ILE A 90 15.275 15.974 -6.413 1.00 0.45 H new ATOM 0 HD12 ILE A 90 15.270 14.304 -7.029 1.00 0.45 H new ATOM 0 HD13 ILE A 90 13.827 15.328 -7.220 1.00 0.45 H new ATOM 1346 N ILE A 91 11.599 11.028 -2.986 1.00 1.32 N ATOM 1347 CA ILE A 91 11.177 9.636 -2.892 1.00 13.43 C ATOM 1348 C ILE A 91 9.657 9.519 -2.929 1.00 52.53 C ATOM 1349 O ILE A 91 8.974 9.835 -1.954 1.00 4.34 O ATOM 1350 CB ILE A 91 11.700 8.975 -1.603 1.00 14.43 C ATOM 1351 CG1 ILE A 91 11.556 9.933 -0.418 1.00 34.20 C ATOM 1352 CG2 ILE A 91 13.151 8.552 -1.776 1.00 13.25 C ATOM 1353 CD1 ILE A 91 11.985 9.331 0.901 1.00 25.43 C ATOM 0 H ILE A 91 11.254 11.625 -2.235 1.00 1.32 H new ATOM 0 HA ILE A 91 11.600 9.119 -3.753 1.00 13.43 H new ATOM 0 HB ILE A 91 11.104 8.085 -1.401 1.00 14.43 H new ATOM 0 HG12 ILE A 91 12.149 10.827 -0.610 1.00 34.20 H new ATOM 0 HG13 ILE A 91 10.516 10.250 -0.342 1.00 34.20 H new ATOM 0 HG21 ILE A 91 13.506 8.087 -0.857 1.00 13.25 H new ATOM 0 HG22 ILE A 91 13.227 7.839 -2.597 1.00 13.25 H new ATOM 0 HG23 ILE A 91 13.761 9.427 -1.999 1.00 13.25 H new ATOM 0 HD11 ILE A 91 11.856 10.066 1.696 1.00 25.43 H new ATOM 0 HD12 ILE A 91 11.375 8.453 1.116 1.00 25.43 H new ATOM 0 HD13 ILE A 91 13.034 9.039 0.844 1.00 25.43 H new ATOM 1365 N LEU A 92 9.132 9.062 -4.061 1.00 1.13 N ATOM 1366 CA LEU A 92 7.692 8.901 -4.226 1.00 34.22 C ATOM 1367 C LEU A 92 7.088 8.156 -3.040 1.00 34.14 C ATOM 1368 O LEU A 92 7.792 7.469 -2.299 1.00 3.31 O ATOM 1369 CB LEU A 92 7.388 8.149 -5.523 1.00 20.01 C ATOM 1370 CG LEU A 92 8.355 7.021 -5.887 1.00 54.41 C ATOM 1371 CD1 LEU A 92 7.591 5.804 -6.385 1.00 42.01 C ATOM 1372 CD2 LEU A 92 9.353 7.492 -6.934 1.00 50.45 C ATOM 0 H LEU A 92 9.682 8.797 -4.878 1.00 1.13 H new ATOM 0 HA LEU A 92 7.244 9.893 -4.275 1.00 34.22 H new ATOM 0 HB2 LEU A 92 6.384 7.731 -5.450 1.00 20.01 H new ATOM 0 HB3 LEU A 92 7.375 8.868 -6.342 1.00 20.01 H new ATOM 0 HG LEU A 92 8.906 6.737 -4.991 1.00 54.41 H new ATOM 0 HD11 LEU A 92 8.295 5.012 -6.639 1.00 42.01 H new ATOM 0 HD12 LEU A 92 6.916 5.453 -5.604 1.00 42.01 H new ATOM 0 HD13 LEU A 92 7.013 6.074 -7.269 1.00 42.01 H new ATOM 0 HD21 LEU A 92 10.033 6.677 -7.181 1.00 50.45 H new ATOM 0 HD22 LEU A 92 8.819 7.804 -7.832 1.00 50.45 H new ATOM 0 HD23 LEU A 92 9.923 8.334 -6.541 1.00 50.45 H new ATOM 1384 N THR A 93 5.777 8.294 -2.866 1.00 11.35 N ATOM 1385 CA THR A 93 5.077 7.634 -1.771 1.00 3.14 C ATOM 1386 C THR A 93 3.681 7.194 -2.196 1.00 1.41 C ATOM 1387 O THR A 93 3.117 7.723 -3.155 1.00 24.44 O ATOM 1388 CB THR A 93 4.961 8.556 -0.542 1.00 31.53 C ATOM 1389 OG1 THR A 93 3.791 8.220 0.213 1.00 51.43 O ATOM 1390 CG2 THR A 93 4.897 10.016 -0.964 1.00 62.51 C ATOM 0 H THR A 93 5.179 8.857 -3.470 1.00 11.35 H new ATOM 0 HA THR A 93 5.665 6.756 -1.503 1.00 3.14 H new ATOM 0 HB THR A 93 5.846 8.413 0.077 1.00 31.53 H new ATOM 0 HG1 THR A 93 3.725 8.809 0.993 1.00 51.43 H new ATOM 0 HG21 THR A 93 4.815 10.647 -0.079 1.00 62.51 H new ATOM 0 HG22 THR A 93 5.802 10.276 -1.513 1.00 62.51 H new ATOM 0 HG23 THR A 93 4.028 10.172 -1.603 1.00 62.51 H new ATOM 1398 N LYS A 94 3.127 6.224 -1.477 1.00 13.32 N ATOM 1399 CA LYS A 94 1.794 5.714 -1.778 1.00 25.12 C ATOM 1400 C LYS A 94 0.733 6.779 -1.521 1.00 31.43 C ATOM 1401 O LYS A 94 -0.420 6.627 -1.922 1.00 34.24 O ATOM 1402 CB LYS A 94 1.500 4.471 -0.935 1.00 72.23 C ATOM 1403 CG LYS A 94 0.779 4.775 0.367 1.00 51.35 C ATOM 1404 CD LYS A 94 1.094 3.740 1.434 1.00 53.25 C ATOM 1405 CE LYS A 94 1.747 4.376 2.651 1.00 34.13 C ATOM 1406 NZ LYS A 94 0.739 4.956 3.581 1.00 12.44 N ATOM 0 H LYS A 94 3.580 5.775 -0.681 1.00 13.32 H new ATOM 0 HA LYS A 94 1.764 5.445 -2.834 1.00 25.12 H new ATOM 0 HB2 LYS A 94 0.896 3.779 -1.522 1.00 72.23 H new ATOM 0 HB3 LYS A 94 2.439 3.964 -0.711 1.00 72.23 H new ATOM 0 HG2 LYS A 94 1.068 5.764 0.722 1.00 51.35 H new ATOM 0 HG3 LYS A 94 -0.296 4.802 0.191 1.00 51.35 H new ATOM 0 HD2 LYS A 94 0.176 3.235 1.735 1.00 53.25 H new ATOM 0 HD3 LYS A 94 1.756 2.979 1.020 1.00 53.25 H new ATOM 0 HE2 LYS A 94 2.339 3.628 3.178 1.00 34.13 H new ATOM 0 HE3 LYS A 94 2.435 5.157 2.328 1.00 34.13 H new ATOM 0 HZ1 LYS A 94 1.224 5.380 4.398 1.00 12.44 H new ATOM 0 HZ2 LYS A 94 0.190 5.688 3.086 1.00 12.44 H new ATOM 0 HZ3 LYS A 94 0.098 4.206 3.910 1.00 12.44 H new ATOM 1420 N GLU A 95 1.131 7.856 -0.851 1.00 65.31 N ATOM 1421 CA GLU A 95 0.213 8.945 -0.542 1.00 41.40 C ATOM 1422 C GLU A 95 -0.448 9.476 -1.811 1.00 11.12 C ATOM 1423 O GLU A 95 -1.520 10.082 -1.760 1.00 24.43 O ATOM 1424 CB GLU A 95 0.953 10.078 0.173 1.00 53.10 C ATOM 1425 CG GLU A 95 1.029 9.899 1.680 1.00 51.31 C ATOM 1426 CD GLU A 95 -0.327 10.007 2.349 1.00 34.25 C ATOM 1427 OE1 GLU A 95 -1.155 10.820 1.888 1.00 61.12 O ATOM 1428 OE2 GLU A 95 -0.561 9.277 3.336 1.00 60.34 O ATOM 0 H GLU A 95 2.083 7.997 -0.512 1.00 65.31 H new ATOM 0 HA GLU A 95 -0.564 8.556 0.116 1.00 41.40 H new ATOM 0 HB2 GLU A 95 1.964 10.150 -0.227 1.00 53.10 H new ATOM 0 HB3 GLU A 95 0.455 11.022 -0.048 1.00 53.10 H new ATOM 0 HG2 GLU A 95 1.465 8.925 1.905 1.00 51.31 H new ATOM 0 HG3 GLU A 95 1.697 10.652 2.098 1.00 51.31 H new ATOM 1435 N LEU A 96 0.198 9.245 -2.948 1.00 42.53 N ATOM 1436 CA LEU A 96 -0.326 9.700 -4.232 1.00 4.34 C ATOM 1437 C LEU A 96 -1.153 8.607 -4.900 1.00 53.31 C ATOM 1438 O LEU A 96 -1.294 8.582 -6.123 1.00 33.21 O ATOM 1439 CB LEU A 96 0.821 10.123 -5.152 1.00 30.50 C ATOM 1440 CG LEU A 96 1.784 11.168 -4.588 1.00 53.34 C ATOM 1441 CD1 LEU A 96 3.004 10.497 -3.978 1.00 61.43 C ATOM 1442 CD2 LEU A 96 2.200 12.150 -5.674 1.00 71.01 C ATOM 0 H LEU A 96 1.085 8.746 -3.008 1.00 42.53 H new ATOM 0 HA LEU A 96 -0.972 10.559 -4.050 1.00 4.34 H new ATOM 0 HB2 LEU A 96 1.395 9.235 -5.416 1.00 30.50 H new ATOM 0 HB3 LEU A 96 0.394 10.513 -6.076 1.00 30.50 H new ATOM 0 HG LEU A 96 1.270 11.721 -3.802 1.00 53.34 H new ATOM 0 HD11 LEU A 96 3.677 11.257 -3.582 1.00 61.43 H new ATOM 0 HD12 LEU A 96 2.690 9.835 -3.171 1.00 61.43 H new ATOM 0 HD13 LEU A 96 3.521 9.917 -4.743 1.00 61.43 H new ATOM 0 HD21 LEU A 96 2.885 12.887 -5.255 1.00 71.01 H new ATOM 0 HD22 LEU A 96 2.696 11.611 -6.481 1.00 71.01 H new ATOM 0 HD23 LEU A 96 1.317 12.656 -6.064 1.00 71.01 H new ATOM 1454 N ASP A 97 -1.700 7.708 -4.090 1.00 71.40 N ATOM 1455 CA ASP A 97 -2.517 6.614 -4.602 1.00 71.25 C ATOM 1456 C ASP A 97 -3.690 7.148 -5.419 1.00 30.23 C ATOM 1457 O ASP A 97 -4.557 7.846 -4.895 1.00 41.21 O ATOM 1458 CB ASP A 97 -3.033 5.751 -3.450 1.00 23.31 C ATOM 1459 CG ASP A 97 -3.942 6.520 -2.512 1.00 2.30 C ATOM 1460 OD1 ASP A 97 -3.438 7.411 -1.796 1.00 70.40 O ATOM 1461 OD2 ASP A 97 -5.157 6.232 -2.493 1.00 61.22 O ATOM 0 H ASP A 97 -1.593 7.715 -3.076 1.00 71.40 H new ATOM 0 HA ASP A 97 -1.893 6.001 -5.253 1.00 71.25 H new ATOM 0 HB2 ASP A 97 -3.574 4.895 -3.855 1.00 23.31 H new ATOM 0 HB3 ASP A 97 -2.186 5.356 -2.888 1.00 23.31 H new ATOM 1466 N GLY A 98 -3.709 6.815 -6.706 1.00 33.41 N ATOM 1467 CA GLY A 98 -4.779 7.270 -7.574 1.00 53.20 C ATOM 1468 C GLY A 98 -4.548 8.677 -8.090 1.00 71.52 C ATOM 1469 O GLY A 98 -5.331 9.188 -8.892 1.00 44.12 O ATOM 0 H GLY A 98 -3.002 6.238 -7.163 1.00 33.41 H new ATOM 0 HA2 GLY A 98 -4.873 6.587 -8.419 1.00 53.20 H new ATOM 0 HA3 GLY A 98 -5.723 7.236 -7.030 1.00 53.20 H new ATOM 1473 N LEU A 99 -3.472 9.305 -7.629 1.00 73.31 N ATOM 1474 CA LEU A 99 -3.141 10.662 -8.048 1.00 4.20 C ATOM 1475 C LEU A 99 -2.086 10.650 -9.150 1.00 20.31 C ATOM 1476 O LEU A 99 -1.202 9.792 -9.167 1.00 74.24 O ATOM 1477 CB LEU A 99 -2.638 11.477 -6.855 1.00 33.13 C ATOM 1478 CG LEU A 99 -3.708 12.207 -6.043 1.00 13.44 C ATOM 1479 CD1 LEU A 99 -4.450 11.234 -5.140 1.00 14.21 C ATOM 1480 CD2 LEU A 99 -3.084 13.327 -5.223 1.00 41.53 C ATOM 0 H LEU A 99 -2.814 8.896 -6.965 1.00 73.31 H new ATOM 0 HA LEU A 99 -4.046 11.125 -8.441 1.00 4.20 H new ATOM 0 HB2 LEU A 99 -2.096 10.808 -6.186 1.00 33.13 H new ATOM 0 HB3 LEU A 99 -1.921 12.213 -7.219 1.00 33.13 H new ATOM 0 HG LEU A 99 -4.425 12.647 -6.736 1.00 13.44 H new ATOM 0 HD11 LEU A 99 -5.207 11.772 -4.570 1.00 14.21 H new ATOM 0 HD12 LEU A 99 -4.930 10.467 -5.748 1.00 14.21 H new ATOM 0 HD13 LEU A 99 -3.745 10.765 -4.454 1.00 14.21 H new ATOM 0 HD21 LEU A 99 -3.860 13.836 -4.652 1.00 41.53 H new ATOM 0 HD22 LEU A 99 -2.345 12.909 -4.539 1.00 41.53 H new ATOM 0 HD23 LEU A 99 -2.599 14.040 -5.890 1.00 41.53 H new ATOM 1492 N CYS A 100 -2.184 11.607 -10.066 1.00 24.32 N ATOM 1493 CA CYS A 100 -1.237 11.707 -11.171 1.00 21.11 C ATOM 1494 C CYS A 100 -0.225 12.820 -10.920 1.00 43.05 C ATOM 1495 O CYS A 100 -0.596 13.960 -10.642 1.00 50.34 O ATOM 1496 CB CYS A 100 -1.979 11.962 -12.484 1.00 22.42 C ATOM 1497 SG CYS A 100 -3.029 13.433 -12.465 1.00 2.41 S ATOM 0 H CYS A 100 -2.909 12.324 -10.066 1.00 24.32 H new ATOM 0 HA CYS A 100 -0.699 10.762 -11.244 1.00 21.11 H new ATOM 0 HB2 CYS A 100 -1.250 12.060 -13.288 1.00 22.42 H new ATOM 0 HB3 CYS A 100 -2.594 11.093 -12.716 1.00 22.42 H new ATOM 0 HG CYS A 100 -2.499 14.334 -11.692 1.00 2.41 H new ATOM 1503 N VAL A 101 1.057 12.481 -11.019 1.00 72.24 N ATOM 1504 CA VAL A 101 2.123 13.451 -10.803 1.00 44.11 C ATOM 1505 C VAL A 101 3.270 13.236 -11.785 1.00 75.21 C ATOM 1506 O VAL A 101 3.334 12.211 -12.465 1.00 33.03 O ATOM 1507 CB VAL A 101 2.671 13.372 -9.366 1.00 24.41 C ATOM 1508 CG1 VAL A 101 1.587 13.727 -8.360 1.00 70.13 C ATOM 1509 CG2 VAL A 101 3.236 11.987 -9.087 1.00 75.41 C ATOM 0 H VAL A 101 1.382 11.541 -11.247 1.00 72.24 H new ATOM 0 HA VAL A 101 1.690 14.438 -10.965 1.00 44.11 H new ATOM 0 HB VAL A 101 3.479 14.097 -9.264 1.00 24.41 H new ATOM 0 HG11 VAL A 101 1.993 13.666 -7.350 1.00 70.13 H new ATOM 0 HG12 VAL A 101 1.234 14.741 -8.548 1.00 70.13 H new ATOM 0 HG13 VAL A 101 0.756 13.029 -8.460 1.00 70.13 H new ATOM 0 HG21 VAL A 101 3.619 11.949 -8.067 1.00 75.41 H new ATOM 0 HG22 VAL A 101 2.449 11.242 -9.207 1.00 75.41 H new ATOM 0 HG23 VAL A 101 4.045 11.776 -9.786 1.00 75.41 H new ATOM 1519 N ILE A 102 4.173 14.208 -11.854 1.00 34.00 N ATOM 1520 CA ILE A 102 5.318 14.124 -12.752 1.00 32.12 C ATOM 1521 C ILE A 102 6.469 13.361 -12.105 1.00 12.12 C ATOM 1522 O ILE A 102 6.777 13.560 -10.929 1.00 41.50 O ATOM 1523 CB ILE A 102 5.812 15.522 -13.166 1.00 42.41 C ATOM 1524 CG1 ILE A 102 4.695 16.294 -13.873 1.00 24.53 C ATOM 1525 CG2 ILE A 102 7.034 15.407 -14.065 1.00 4.42 C ATOM 1526 CD1 ILE A 102 4.182 15.607 -15.119 1.00 33.23 C ATOM 0 H ILE A 102 4.134 15.063 -11.299 1.00 34.00 H new ATOM 0 HA ILE A 102 4.984 13.588 -13.640 1.00 32.12 H new ATOM 0 HB ILE A 102 6.095 16.071 -12.268 1.00 42.41 H new ATOM 0 HG12 ILE A 102 3.867 16.436 -13.179 1.00 24.53 H new ATOM 0 HG13 ILE A 102 5.062 17.285 -14.139 1.00 24.53 H new ATOM 0 HG21 ILE A 102 7.372 16.404 -14.349 1.00 4.42 H new ATOM 0 HG22 ILE A 102 7.832 14.892 -13.530 1.00 4.42 H new ATOM 0 HG23 ILE A 102 6.775 14.842 -14.961 1.00 4.42 H new ATOM 0 HD11 ILE A 102 3.393 16.210 -15.568 1.00 33.23 H new ATOM 0 HD12 ILE A 102 4.998 15.489 -15.832 1.00 33.23 H new ATOM 0 HD13 ILE A 102 3.785 14.626 -14.857 1.00 33.23 H new ATOM 1538 N LEU A 103 7.102 12.488 -12.880 1.00 44.11 N ATOM 1539 CA LEU A 103 8.222 11.696 -12.384 1.00 21.44 C ATOM 1540 C LEU A 103 9.391 12.592 -11.990 1.00 5.33 C ATOM 1541 O LEU A 103 9.545 13.708 -12.486 1.00 55.42 O ATOM 1542 CB LEU A 103 8.671 10.690 -13.445 1.00 71.31 C ATOM 1543 CG LEU A 103 9.680 11.204 -14.473 1.00 21.55 C ATOM 1544 CD1 LEU A 103 10.130 10.076 -15.388 1.00 44.04 C ATOM 1545 CD2 LEU A 103 9.083 12.345 -15.283 1.00 34.34 C ATOM 0 H LEU A 103 6.859 12.310 -13.855 1.00 44.11 H new ATOM 0 HA LEU A 103 7.888 11.156 -11.498 1.00 21.44 H new ATOM 0 HB2 LEU A 103 9.105 9.828 -12.939 1.00 71.31 H new ATOM 0 HB3 LEU A 103 7.788 10.336 -13.978 1.00 71.31 H new ATOM 0 HG LEU A 103 10.552 11.582 -13.940 1.00 21.55 H new ATOM 0 HD11 LEU A 103 10.848 10.460 -16.113 1.00 44.04 H new ATOM 0 HD12 LEU A 103 10.599 9.291 -14.794 1.00 44.04 H new ATOM 0 HD13 LEU A 103 9.267 9.667 -15.913 1.00 44.04 H new ATOM 0 HD21 LEU A 103 9.815 12.698 -16.009 1.00 34.34 H new ATOM 0 HD22 LEU A 103 8.194 11.993 -15.806 1.00 34.34 H new ATOM 0 HD23 LEU A 103 8.812 13.162 -14.615 1.00 34.34 H new ATOM 1557 N PRO A 104 10.239 12.094 -11.077 1.00 73.42 N ATOM 1558 CA PRO A 104 11.411 12.832 -10.599 1.00 0.05 C ATOM 1559 C PRO A 104 12.489 12.966 -11.669 1.00 54.11 C ATOM 1560 O PRO A 104 13.129 14.011 -11.793 1.00 62.53 O ATOM 1561 CB PRO A 104 11.918 11.977 -9.434 1.00 54.12 C ATOM 1562 CG PRO A 104 11.434 10.601 -9.736 1.00 61.24 C ATOM 1563 CD PRO A 104 10.118 10.770 -10.443 1.00 14.10 C ATOM 0 HA PRO A 104 11.161 13.855 -10.318 1.00 0.05 H new ATOM 0 HB2 PRO A 104 13.005 12.008 -9.364 1.00 54.12 H new ATOM 0 HB3 PRO A 104 11.527 12.334 -8.481 1.00 54.12 H new ATOM 0 HG2 PRO A 104 12.147 10.065 -10.362 1.00 61.24 H new ATOM 0 HG3 PRO A 104 11.314 10.020 -8.821 1.00 61.24 H new ATOM 0 HD2 PRO A 104 9.954 9.985 -11.181 1.00 14.10 H new ATOM 0 HD3 PRO A 104 9.280 10.733 -9.747 1.00 14.10 H new ATOM 1571 N THR A 105 12.684 11.902 -12.442 1.00 42.21 N ATOM 1572 CA THR A 105 13.685 11.901 -13.502 1.00 14.01 C ATOM 1573 C THR A 105 13.490 10.716 -14.440 1.00 61.43 C ATOM 1574 O THR A 105 13.149 9.617 -14.004 1.00 33.02 O ATOM 1575 CB THR A 105 15.113 11.857 -12.926 1.00 73.43 C ATOM 1576 OG1 THR A 105 16.068 11.779 -13.990 1.00 54.05 O ATOM 1577 CG2 THR A 105 15.284 10.665 -11.996 1.00 44.21 C ATOM 0 H THR A 105 12.162 11.030 -12.354 1.00 42.21 H new ATOM 0 HA THR A 105 13.556 12.828 -14.061 1.00 14.01 H new ATOM 0 HB THR A 105 15.280 12.770 -12.355 1.00 73.43 H new ATOM 0 HG1 THR A 105 16.973 11.753 -13.616 1.00 54.05 H new ATOM 0 HG21 THR A 105 16.300 10.654 -11.601 1.00 44.21 H new ATOM 0 HG22 THR A 105 14.575 10.742 -11.172 1.00 44.21 H new ATOM 0 HG23 THR A 105 15.100 9.743 -12.548 1.00 44.21 H new ATOM 1585 N GLU A 106 13.710 10.946 -15.731 1.00 24.11 N ATOM 1586 CA GLU A 106 13.559 9.895 -16.730 1.00 54.25 C ATOM 1587 C GLU A 106 14.440 8.695 -16.396 1.00 51.03 C ATOM 1588 O GLU A 106 15.508 8.840 -15.800 1.00 54.31 O ATOM 1589 CB GLU A 106 13.910 10.429 -18.121 1.00 21.41 C ATOM 1590 CG GLU A 106 15.375 10.802 -18.277 1.00 73.01 C ATOM 1591 CD GLU A 106 15.581 12.294 -18.448 1.00 2.52 C ATOM 1592 OE1 GLU A 106 14.955 12.881 -19.356 1.00 25.44 O ATOM 1593 OE2 GLU A 106 16.369 12.876 -17.673 1.00 11.24 O ATOM 0 H GLU A 106 13.993 11.850 -16.109 1.00 24.11 H new ATOM 0 HA GLU A 106 12.518 9.571 -16.725 1.00 54.25 H new ATOM 0 HB2 GLU A 106 13.654 9.675 -18.866 1.00 21.41 H new ATOM 0 HB3 GLU A 106 13.296 11.305 -18.330 1.00 21.41 H new ATOM 0 HG2 GLU A 106 15.928 10.460 -17.402 1.00 73.01 H new ATOM 0 HG3 GLU A 106 15.789 10.280 -19.140 1.00 73.01 H new ATOM 1600 N THR A 107 13.985 7.508 -16.784 1.00 72.44 N ATOM 1601 CA THR A 107 14.729 6.282 -16.525 1.00 62.23 C ATOM 1602 C THR A 107 14.119 5.100 -17.270 1.00 42.14 C ATOM 1603 O THR A 107 13.019 4.652 -16.948 1.00 30.24 O ATOM 1604 CB THR A 107 14.772 5.958 -15.020 1.00 1.10 C ATOM 1605 OG1 THR A 107 15.313 4.648 -14.816 1.00 34.12 O ATOM 1606 CG2 THR A 107 13.381 6.039 -14.409 1.00 43.32 C ATOM 0 H THR A 107 13.104 7.370 -17.279 1.00 72.44 H new ATOM 0 HA THR A 107 15.745 6.448 -16.883 1.00 62.23 H new ATOM 0 HB THR A 107 15.410 6.694 -14.530 1.00 1.10 H new ATOM 0 HG1 THR A 107 15.338 4.450 -13.856 1.00 34.12 H new ATOM 0 HG21 THR A 107 13.437 5.806 -13.346 1.00 43.32 H new ATOM 0 HG22 THR A 107 12.984 7.046 -14.540 1.00 43.32 H new ATOM 0 HG23 THR A 107 12.724 5.323 -14.903 1.00 43.32 H new ATOM 1614 N ARG A 108 14.840 4.599 -18.268 1.00 45.51 N ATOM 1615 CA ARG A 108 14.369 3.469 -19.059 1.00 41.44 C ATOM 1616 C ARG A 108 15.432 3.026 -20.060 1.00 71.34 C ATOM 1617 O ARG A 108 16.303 3.806 -20.442 1.00 25.33 O ATOM 1618 CB ARG A 108 13.081 3.838 -19.797 1.00 53.01 C ATOM 1619 CG ARG A 108 12.138 2.663 -20.002 1.00 4.15 C ATOM 1620 CD ARG A 108 11.307 2.829 -21.264 1.00 62.41 C ATOM 1621 NE ARG A 108 10.723 4.163 -21.364 1.00 11.33 N ATOM 1622 CZ ARG A 108 10.290 4.693 -22.502 1.00 51.03 C ATOM 1623 NH1 ARG A 108 10.375 4.004 -23.632 1.00 52.42 N ATOM 1624 NH2 ARG A 108 9.770 5.914 -22.512 1.00 62.12 N ATOM 0 H ARG A 108 15.753 4.958 -18.548 1.00 45.51 H new ATOM 0 HA ARG A 108 14.166 2.641 -18.380 1.00 41.44 H new ATOM 0 HB2 ARG A 108 12.562 4.616 -19.237 1.00 53.01 H new ATOM 0 HB3 ARG A 108 13.337 4.261 -20.768 1.00 53.01 H new ATOM 0 HG2 ARG A 108 12.714 1.739 -20.063 1.00 4.15 H new ATOM 0 HG3 ARG A 108 11.478 2.570 -19.140 1.00 4.15 H new ATOM 0 HD2 ARG A 108 11.932 2.641 -22.137 1.00 62.41 H new ATOM 0 HD3 ARG A 108 10.512 2.084 -21.275 1.00 62.41 H new ATOM 0 HE ARG A 108 10.643 4.719 -20.513 1.00 11.33 H new ATOM 0 HH11 ARG A 108 10.774 3.065 -23.628 1.00 52.42 H new ATOM 0 HH12 ARG A 108 10.042 4.413 -24.505 1.00 52.42 H new ATOM 0 HH21 ARG A 108 9.703 6.447 -21.645 1.00 62.12 H new ATOM 0 HH22 ARG A 108 9.438 6.320 -23.387 1.00 62.12 H new ATOM 1638 N ASN A 109 15.353 1.767 -20.481 1.00 55.53 N ATOM 1639 CA ASN A 109 16.308 1.220 -21.437 1.00 61.50 C ATOM 1640 C ASN A 109 15.588 0.549 -22.603 1.00 32.54 C ATOM 1641 O ASN A 109 15.521 1.098 -23.703 1.00 34.23 O ATOM 1642 CB ASN A 109 17.232 0.214 -20.747 1.00 32.12 C ATOM 1643 CG ASN A 109 18.490 0.863 -20.204 1.00 65.21 C ATOM 1644 OD1 ASN A 109 18.427 1.849 -19.470 1.00 33.23 O ATOM 1645 ND2 ASN A 109 19.643 0.311 -20.565 1.00 22.34 N ATOM 0 H ASN A 109 14.638 1.107 -20.175 1.00 55.53 H new ATOM 0 HA ASN A 109 16.905 2.044 -21.828 1.00 61.50 H new ATOM 0 HB2 ASN A 109 16.694 -0.269 -19.931 1.00 32.12 H new ATOM 0 HB3 ASN A 109 17.506 -0.568 -21.455 1.00 32.12 H new ATOM 0 HD21 ASN A 109 20.523 0.704 -20.232 1.00 22.34 H new ATOM 0 HD22 ASN A 109 19.648 -0.506 -21.175 1.00 22.34 H new ATOM 1652 N ILE A 110 15.051 -0.641 -22.353 1.00 53.12 N ATOM 1653 CA ILE A 110 14.334 -1.386 -23.381 1.00 0.40 C ATOM 1654 C ILE A 110 13.720 -2.659 -22.810 1.00 22.23 C ATOM 1655 O ILE A 110 14.251 -3.248 -21.868 1.00 62.55 O ATOM 1656 CB ILE A 110 15.259 -1.757 -24.555 1.00 52.23 C ATOM 1657 CG1 ILE A 110 14.441 -2.326 -25.717 1.00 23.15 C ATOM 1658 CG2 ILE A 110 16.314 -2.755 -24.103 1.00 72.43 C ATOM 1659 CD1 ILE A 110 15.113 -2.168 -27.063 1.00 32.53 C ATOM 0 H ILE A 110 15.099 -1.109 -21.448 1.00 53.12 H new ATOM 0 HA ILE A 110 13.540 -0.735 -23.746 1.00 0.40 H new ATOM 0 HB ILE A 110 15.765 -0.855 -24.899 1.00 52.23 H new ATOM 0 HG12 ILE A 110 14.254 -3.384 -25.535 1.00 23.15 H new ATOM 0 HG13 ILE A 110 13.470 -1.831 -25.744 1.00 23.15 H new ATOM 0 HG21 ILE A 110 16.960 -3.007 -24.944 1.00 72.43 H new ATOM 0 HG22 ILE A 110 16.912 -2.316 -23.305 1.00 72.43 H new ATOM 0 HG23 ILE A 110 15.827 -3.658 -23.736 1.00 72.43 H new ATOM 0 HD11 ILE A 110 14.477 -2.593 -27.839 1.00 32.53 H new ATOM 0 HD12 ILE A 110 15.276 -1.110 -27.267 1.00 32.53 H new ATOM 0 HD13 ILE A 110 16.071 -2.687 -27.054 1.00 32.53 H new ATOM 1671 N SER A 111 12.599 -3.080 -23.387 1.00 0.32 N ATOM 1672 CA SER A 111 11.911 -4.283 -22.934 1.00 60.00 C ATOM 1673 C SER A 111 11.643 -4.223 -21.433 1.00 73.33 C ATOM 1674 O SER A 111 11.929 -5.171 -20.702 1.00 32.24 O ATOM 1675 CB SER A 111 12.740 -5.525 -23.266 1.00 73.43 C ATOM 1676 OG SER A 111 13.262 -5.453 -24.581 1.00 45.15 O ATOM 0 H SER A 111 12.148 -2.606 -24.169 1.00 0.32 H new ATOM 0 HA SER A 111 10.955 -4.343 -23.454 1.00 60.00 H new ATOM 0 HB2 SER A 111 13.558 -5.622 -22.552 1.00 73.43 H new ATOM 0 HB3 SER A 111 12.121 -6.417 -23.165 1.00 73.43 H new ATOM 0 HG SER A 111 13.789 -6.258 -24.768 1.00 45.15 H new ATOM 1682 N PHE A 112 11.091 -3.102 -20.982 1.00 0.15 N ATOM 1683 CA PHE A 112 10.784 -2.916 -19.568 1.00 63.31 C ATOM 1684 C PHE A 112 9.363 -2.392 -19.384 1.00 42.42 C ATOM 1685 O PHE A 112 9.129 -1.454 -18.622 1.00 44.50 O ATOM 1686 CB PHE A 112 11.784 -1.949 -18.930 1.00 74.02 C ATOM 1687 CG PHE A 112 13.117 -2.574 -18.634 1.00 41.31 C ATOM 1688 CD1 PHE A 112 13.199 -3.754 -17.913 1.00 1.35 C ATOM 1689 CD2 PHE A 112 14.288 -1.981 -19.078 1.00 23.33 C ATOM 1690 CE1 PHE A 112 14.425 -4.330 -17.638 1.00 71.10 C ATOM 1691 CE2 PHE A 112 15.517 -2.553 -18.807 1.00 21.33 C ATOM 1692 CZ PHE A 112 15.585 -3.730 -18.087 1.00 2.13 C ATOM 0 H PHE A 112 10.847 -2.308 -21.575 1.00 0.15 H new ATOM 0 HA PHE A 112 10.861 -3.885 -19.075 1.00 63.31 H new ATOM 0 HB2 PHE A 112 11.930 -1.099 -19.596 1.00 74.02 H new ATOM 0 HB3 PHE A 112 11.361 -1.560 -18.004 1.00 74.02 H new ATOM 0 HD1 PHE A 112 12.295 -4.229 -17.562 1.00 1.35 H new ATOM 0 HD2 PHE A 112 14.240 -1.061 -19.642 1.00 23.33 H new ATOM 0 HE1 PHE A 112 14.476 -5.249 -17.072 1.00 71.10 H new ATOM 0 HE2 PHE A 112 16.423 -2.080 -19.158 1.00 21.33 H new ATOM 0 HZ PHE A 112 16.544 -4.180 -17.876 1.00 2.13 H new ATOM 1702 N VAL A 113 8.417 -3.004 -20.089 1.00 50.21 N ATOM 1703 CA VAL A 113 7.019 -2.600 -20.004 1.00 54.03 C ATOM 1704 C VAL A 113 6.231 -3.536 -19.094 1.00 54.44 C ATOM 1705 O VAL A 113 5.156 -3.185 -18.605 1.00 65.20 O ATOM 1706 CB VAL A 113 6.356 -2.575 -21.395 1.00 22.34 C ATOM 1707 CG1 VAL A 113 4.932 -2.051 -21.298 1.00 54.23 C ATOM 1708 CG2 VAL A 113 7.178 -1.736 -22.361 1.00 50.10 C ATOM 0 H VAL A 113 8.593 -3.781 -20.725 1.00 50.21 H new ATOM 0 HA VAL A 113 7.005 -1.594 -19.585 1.00 54.03 H new ATOM 0 HB VAL A 113 6.316 -3.594 -21.779 1.00 22.34 H new ATOM 0 HG11 VAL A 113 4.480 -2.040 -22.290 1.00 54.23 H new ATOM 0 HG12 VAL A 113 4.350 -2.697 -20.641 1.00 54.23 H new ATOM 0 HG13 VAL A 113 4.944 -1.039 -20.894 1.00 54.23 H new ATOM 0 HG21 VAL A 113 6.696 -1.729 -23.338 1.00 50.10 H new ATOM 0 HG22 VAL A 113 7.251 -0.715 -21.985 1.00 50.10 H new ATOM 0 HG23 VAL A 113 8.177 -2.161 -22.453 1.00 50.10 H new ATOM 1718 N LYS A 114 6.771 -4.729 -18.871 1.00 3.52 N ATOM 1719 CA LYS A 114 6.121 -5.716 -18.018 1.00 32.21 C ATOM 1720 C LYS A 114 7.135 -6.400 -17.106 1.00 52.03 C ATOM 1721 O LYS A 114 8.332 -6.410 -17.391 1.00 14.31 O ATOM 1722 CB LYS A 114 5.400 -6.762 -18.872 1.00 1.03 C ATOM 1723 CG LYS A 114 4.031 -6.315 -19.354 1.00 10.11 C ATOM 1724 CD LYS A 114 3.053 -6.171 -18.200 1.00 1.42 C ATOM 1725 CE LYS A 114 1.611 -6.227 -18.681 1.00 2.13 C ATOM 1726 NZ LYS A 114 0.646 -6.027 -17.565 1.00 0.45 N ATOM 0 H LYS A 114 7.658 -5.036 -19.270 1.00 3.52 H new ATOM 0 HA LYS A 114 5.391 -5.198 -17.396 1.00 32.21 H new ATOM 0 HB2 LYS A 114 6.019 -7.003 -19.736 1.00 1.03 H new ATOM 0 HB3 LYS A 114 5.290 -7.679 -18.293 1.00 1.03 H new ATOM 0 HG2 LYS A 114 4.121 -5.363 -19.876 1.00 10.11 H new ATOM 0 HG3 LYS A 114 3.644 -7.037 -20.073 1.00 10.11 H new ATOM 0 HD2 LYS A 114 3.226 -6.965 -17.474 1.00 1.42 H new ATOM 0 HD3 LYS A 114 3.230 -5.226 -17.687 1.00 1.42 H new ATOM 0 HE2 LYS A 114 1.452 -5.462 -19.441 1.00 2.13 H new ATOM 0 HE3 LYS A 114 1.423 -7.190 -19.155 1.00 2.13 H new ATOM 0 HZ1 LYS A 114 -0.325 -6.072 -17.934 1.00 0.45 H new ATOM 0 HZ2 LYS A 114 0.781 -6.772 -16.852 1.00 0.45 H new ATOM 0 HZ3 LYS A 114 0.808 -5.097 -17.129 1.00 0.45 H new ATOM 1740 N ASN A 115 6.647 -6.972 -16.010 1.00 40.02 N ATOM 1741 CA ASN A 115 7.511 -7.659 -15.057 1.00 63.14 C ATOM 1742 C ASN A 115 6.741 -8.742 -14.307 1.00 44.31 C ATOM 1743 O ASN A 115 5.574 -9.003 -14.599 1.00 25.13 O ATOM 1744 CB ASN A 115 8.107 -6.659 -14.064 1.00 35.31 C ATOM 1745 CG ASN A 115 9.057 -5.681 -14.727 1.00 72.22 C ATOM 1746 OD1 ASN A 115 8.826 -4.472 -14.719 1.00 40.12 O ATOM 1747 ND2 ASN A 115 10.133 -6.202 -15.306 1.00 55.12 N ATOM 0 H ASN A 115 5.658 -6.973 -15.760 1.00 40.02 H new ATOM 0 HA ASN A 115 8.320 -8.133 -15.613 1.00 63.14 H new ATOM 0 HB2 ASN A 115 7.301 -6.107 -13.581 1.00 35.31 H new ATOM 0 HB3 ASN A 115 8.637 -7.201 -13.281 1.00 35.31 H new ATOM 0 HD21 ASN A 115 10.808 -5.593 -15.769 1.00 55.12 H new ATOM 0 HD22 ASN A 115 10.284 -7.211 -15.288 1.00 55.12 H new ATOM 1754 N SER A 116 7.403 -9.368 -13.339 1.00 1.50 N ATOM 1755 CA SER A 116 6.783 -10.424 -12.548 1.00 75.04 C ATOM 1756 C SER A 116 6.685 -10.018 -11.081 1.00 32.31 C ATOM 1757 O SER A 116 7.676 -9.624 -10.468 1.00 71.44 O ATOM 1758 CB SER A 116 7.581 -11.723 -12.678 1.00 55.11 C ATOM 1759 OG SER A 116 7.247 -12.409 -13.872 1.00 63.03 O ATOM 0 H SER A 116 8.369 -9.162 -13.084 1.00 1.50 H new ATOM 0 HA SER A 116 5.775 -10.586 -12.930 1.00 75.04 H new ATOM 0 HB2 SER A 116 8.648 -11.500 -12.669 1.00 55.11 H new ATOM 0 HB3 SER A 116 7.382 -12.364 -11.819 1.00 55.11 H new ATOM 0 HG SER A 116 7.771 -13.235 -13.933 1.00 63.03 H new TER 1765 SER A 116