USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 846 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 92 ASN : amide:sc= -1.83 K(o=-1.8,f=-11!) USER MOD Set 1.2: A 95 ASN : amide:sc= 0 K(o=-1.8,f=-2.9) USER MOD Set 2.1: A 65 GLN : amide:sc= 1.33 K(o=1.4,f=3) USER MOD Set 2.2: A 86 GLN : amide:sc= -0.161 K(o=1.4,f=3) USER MOD Set 2.3: A 88 THR OG1 : rot 180:sc= 0.22 USER MOD Set 3.1: A 10 SER OG : rot -28:sc= -0.755! USER MOD Set 3.2: A 71 TYR OH : rot -152:sc= 1.35 USER MOD Set 3.3: A 85 THR OG1 : rot -79:sc= 1.63 USER MOD Set 3.4: A 105 ASN : amide:sc= 2.62 K(o=4.8,f=-0.24) USER MOD Set 4.1: A 45 TYR OH : rot 165:sc= -0.0581 USER MOD Set 4.2: A 53 MET CE :methyl -166:sc= -0.394 (180deg=-0.772) USER MOD Set 4.3: A 56 SER OG : rot 57:sc= -0.559 USER MOD Set 4.4: A 68 SER OG : rot 130:sc= 0 USER MOD Set 5.1: A 17 LYS NZ :NH3+ -168:sc= 1.99 (180deg=0.909) USER MOD Set 5.2: A 40 SER OG : rot 180:sc= 0.682 USER MOD Set 6.1: A 16 MET CE :methyl 158:sc= -6.3! (180deg=-5.68!) USER MOD Set 6.2: A 57 HIS : no HD1:sc= -0.378 K(o=-6.7,f=-4.5) USER MOD Set 7.1: A 12 HIS : no HD1:sc= -1.44 K(o=-1.9,f=-4.1!) USER MOD Set 7.2: A 103 CYS SG : rot 180:sc= -0.469 USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.24) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 58:sc= 0.819 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 150:sc= -0.352 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -87:sc= -3.22! USER MOD Single : A 26 THR OG1 : rot -88:sc= 1.24 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0059 USER MOD Single : A 32 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -8.95! C(o=-8.9!,f=-9.4!) USER MOD Single : A 50 SER OG : rot 81:sc= 0.0102 USER MOD Single : A 52 ASN : amide:sc=-0.00107 K(o=-0.0011,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000402) USER MOD Single : A 58 GLN : amide:sc= -0.364 K(o=-0.36,f=-4.2!) USER MOD Single : A 59 ASN : amide:sc= -0.782 K(o=-0.78,f=-0.2) USER MOD Single : A 61 CYS SG : rot 86:sc= 0.276 USER MOD Single : A 62 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.29) USER MOD Single : A 73 MET CE :methyl -153:sc= 0 (180deg=-0.622) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.0349 (180deg=0.0285) USER MOD Single : A 77 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.33) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.444 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.733 X(o=-0.73,f=-0.35) USER MOD Single : A 99 GLN : amide:sc= -3.56! K(o=-3.6!,f=-0.07) USER MOD Single : A 100 CYS SG : rot 20:sc= 0.537 USER MOD Single : A 102 MET CE :methyl -152:sc= -0.367 (180deg=-1.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.230 5.319 -9.733 1.00 0.74 N ATOM 61 CA LYS A 6 -8.781 6.144 -8.629 1.00 0.49 C ATOM 62 C LYS A 6 -7.423 5.650 -8.156 1.00 0.39 C ATOM 63 O LYS A 6 -7.316 4.649 -7.449 1.00 0.48 O ATOM 64 CB LYS A 6 -9.805 6.146 -7.488 1.00 0.68 C ATOM 65 CG LYS A 6 -11.205 6.539 -7.945 1.00 0.95 C ATOM 66 CD LYS A 6 -12.140 6.838 -6.778 1.00 1.62 C ATOM 67 CE LYS A 6 -11.819 8.173 -6.118 1.00 2.01 C ATOM 68 NZ LYS A 6 -12.842 8.554 -5.107 1.00 2.61 N ATOM 0 HA LYS A 6 -8.683 7.175 -8.968 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.841 5.154 -7.038 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.475 6.837 -6.712 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.140 7.417 -8.588 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.626 5.734 -8.546 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -13.171 6.847 -7.132 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -12.064 6.040 -6.039 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -10.841 8.116 -5.640 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -11.756 8.949 -6.881 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -12.595 9.476 -4.694 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -13.774 8.617 -5.563 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -12.872 7.835 -4.356 1.00 2.61 H new ATOM 82 N THR A 7 -6.387 6.349 -8.587 1.00 0.30 N ATOM 83 CA THR A 7 -5.025 5.936 -8.340 1.00 0.27 C ATOM 84 C THR A 7 -4.347 6.933 -7.420 1.00 0.21 C ATOM 85 O THR A 7 -4.349 8.137 -7.690 1.00 0.22 O ATOM 86 CB THR A 7 -4.241 5.845 -9.668 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.982 5.066 -10.618 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.863 5.229 -9.464 1.00 0.34 C ATOM 0 H THR A 7 -6.471 7.217 -9.117 1.00 0.30 H new ATOM 0 HA THR A 7 -5.038 4.953 -7.869 1.00 0.27 H new ATOM 0 HB THR A 7 -4.105 6.858 -10.046 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.481 5.013 -11.459 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.341 5.181 -10.420 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.290 5.841 -8.768 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.971 4.223 -9.059 1.00 0.34 H new ATOM 96 N PHE A 8 -3.792 6.452 -6.326 1.00 0.19 N ATOM 97 CA PHE A 8 -3.075 7.327 -5.426 1.00 0.18 C ATOM 98 C PHE A 8 -1.686 6.766 -5.168 1.00 0.19 C ATOM 99 O PHE A 8 -1.524 5.593 -4.818 1.00 0.22 O ATOM 100 CB PHE A 8 -3.879 7.549 -4.130 1.00 0.21 C ATOM 101 CG PHE A 8 -3.539 6.642 -2.978 1.00 0.23 C ATOM 102 CD1 PHE A 8 -4.108 5.381 -2.884 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.633 7.036 -2.007 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.786 4.536 -1.843 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.302 6.191 -0.966 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.940 4.998 -0.820 1.00 0.40 C ATOM 0 H PHE A 8 -3.823 5.473 -6.042 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.952 8.308 -5.885 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.735 8.581 -3.809 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.938 7.431 -4.359 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.812 5.057 -3.636 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -2.180 8.015 -2.065 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.179 3.531 -1.814 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.533 6.478 -0.264 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.797 4.411 0.075 1.00 0.40 H new ATOM 116 N LEU A 9 -0.685 7.592 -5.419 1.00 0.18 N ATOM 117 CA LEU A 9 0.694 7.206 -5.199 1.00 0.20 C ATOM 118 C LEU A 9 0.922 7.006 -3.708 1.00 0.20 C ATOM 119 O LEU A 9 0.419 7.766 -2.882 1.00 0.33 O ATOM 120 CB LEU A 9 1.638 8.283 -5.767 1.00 0.22 C ATOM 121 CG LEU A 9 3.059 7.825 -6.142 1.00 0.27 C ATOM 122 CD1 LEU A 9 3.923 7.600 -4.911 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.007 6.563 -6.987 1.00 0.37 C ATOM 0 H LEU A 9 -0.805 8.539 -5.777 1.00 0.18 H new ATOM 0 HA LEU A 9 0.906 6.270 -5.715 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.172 8.710 -6.655 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.721 9.085 -5.033 1.00 0.22 H new ATOM 0 HG LEU A 9 3.516 8.624 -6.726 1.00 0.27 H new ATOM 0 HD11 LEU A 9 4.918 7.278 -5.219 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.001 8.529 -4.346 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.470 6.832 -4.284 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.021 6.254 -7.243 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.517 5.769 -6.425 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.446 6.760 -7.901 1.00 0.37 H new ATOM 135 N SER A 10 1.673 5.984 -3.369 1.00 0.32 N ATOM 136 CA SER A 10 1.966 5.693 -1.988 1.00 0.32 C ATOM 137 C SER A 10 3.404 5.248 -1.888 1.00 0.28 C ATOM 138 O SER A 10 3.995 4.807 -2.876 1.00 0.29 O ATOM 139 CB SER A 10 1.030 4.614 -1.441 1.00 0.41 C ATOM 140 OG SER A 10 1.224 3.380 -2.108 1.00 1.10 O ATOM 0 H SER A 10 2.094 5.338 -4.036 1.00 0.32 H new ATOM 0 HA SER A 10 1.811 6.590 -1.388 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.205 4.484 -0.373 1.00 0.41 H new ATOM 0 HB3 SER A 10 -0.005 4.934 -1.557 1.00 0.41 H new ATOM 0 HG SER A 10 1.552 3.547 -3.016 1.00 1.10 H new ATOM 146 N ARG A 11 3.968 5.354 -0.711 1.00 0.28 N ATOM 147 CA ARG A 11 5.361 5.010 -0.545 1.00 0.30 C ATOM 148 C ARG A 11 5.677 4.633 0.893 1.00 0.21 C ATOM 149 O ARG A 11 5.037 5.094 1.831 1.00 0.21 O ATOM 150 CB ARG A 11 6.250 6.136 -1.089 1.00 0.51 C ATOM 151 CG ARG A 11 7.405 6.533 -0.201 1.00 0.99 C ATOM 152 CD ARG A 11 8.241 7.607 -0.872 1.00 1.00 C ATOM 153 NE ARG A 11 9.226 8.197 0.030 1.00 1.28 N ATOM 154 CZ ARG A 11 10.228 8.979 -0.372 1.00 1.70 C ATOM 155 NH1 ARG A 11 10.386 9.245 -1.664 1.00 1.99 N ATOM 156 NH2 ARG A 11 11.063 9.502 0.517 1.00 2.46 N ATOM 0 H ARG A 11 3.495 5.670 0.135 1.00 0.28 H new ATOM 0 HA ARG A 11 5.579 4.118 -1.132 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.646 5.828 -2.057 1.00 0.51 H new ATOM 0 HB3 ARG A 11 5.629 7.015 -1.264 1.00 0.51 H new ATOM 0 HG2 ARG A 11 7.029 6.899 0.754 1.00 0.99 H new ATOM 0 HG3 ARG A 11 8.024 5.662 0.013 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.753 7.178 -1.733 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.584 8.391 -1.249 1.00 1.00 H new ATOM 0 HE ARG A 11 9.142 7.999 1.027 1.00 1.28 H new ATOM 0 HH11 ARG A 11 9.741 8.851 -2.348 1.00 1.99 H new ATOM 0 HH12 ARG A 11 11.153 9.843 -1.971 1.00 1.99 H new ATOM 0 HH21 ARG A 11 10.939 9.306 1.510 1.00 2.46 H new ATOM 0 HH22 ARG A 11 11.829 10.100 0.207 1.00 2.46 H new ATOM 170 N HIS A 12 6.623 3.729 1.034 1.00 0.25 N ATOM 171 CA HIS A 12 7.017 3.195 2.327 1.00 0.32 C ATOM 172 C HIS A 12 8.528 3.303 2.459 1.00 0.32 C ATOM 173 O HIS A 12 9.184 3.818 1.564 1.00 0.36 O ATOM 174 CB HIS A 12 6.576 1.729 2.470 1.00 0.36 C ATOM 175 CG HIS A 12 5.159 1.453 2.052 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.133 1.221 2.946 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.605 1.340 0.819 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.021 0.975 2.282 1.00 0.86 C ATOM 179 NE2 HIS A 12 3.279 1.044 0.989 1.00 0.51 N ATOM 0 H HIS A 12 7.146 3.339 0.250 1.00 0.25 H new ATOM 0 HA HIS A 12 6.532 3.768 3.117 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.243 1.104 1.876 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.698 1.427 3.510 1.00 0.36 H new ATOM 0 HD2 HIS A 12 5.116 1.461 -0.124 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.060 0.754 2.722 1.00 0.86 H new ATOM 0 HE2 HIS A 12 2.602 0.900 0.240 1.00 0.51 H new ATOM 188 N SER A 13 9.070 2.873 3.576 1.00 0.32 N ATOM 189 CA SER A 13 10.510 2.848 3.753 1.00 0.35 C ATOM 190 C SER A 13 10.903 1.589 4.511 1.00 0.43 C ATOM 191 O SER A 13 10.281 1.270 5.516 1.00 0.91 O ATOM 192 CB SER A 13 10.977 4.103 4.500 1.00 0.68 C ATOM 193 OG SER A 13 12.395 4.181 4.548 1.00 1.70 O ATOM 0 H SER A 13 8.538 2.535 4.378 1.00 0.32 H new ATOM 0 HA SER A 13 10.995 2.839 2.777 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.579 4.990 4.008 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.577 4.094 5.514 1.00 0.68 H new ATOM 0 HG SER A 13 12.754 4.183 3.636 1.00 1.70 H new ATOM 199 N MET A 14 11.919 0.892 3.988 1.00 0.27 N ATOM 200 CA MET A 14 12.448 -0.380 4.529 1.00 0.36 C ATOM 201 C MET A 14 11.384 -1.303 5.149 1.00 0.33 C ATOM 202 O MET A 14 10.924 -2.248 4.500 1.00 0.40 O ATOM 203 CB MET A 14 13.568 -0.109 5.535 1.00 0.56 C ATOM 204 CG MET A 14 14.385 -1.345 5.864 1.00 1.35 C ATOM 205 SD MET A 14 15.895 -0.958 6.766 1.00 1.76 S ATOM 206 CE MET A 14 16.703 -2.558 6.772 1.00 2.75 C ATOM 0 H MET A 14 12.415 1.201 3.152 1.00 0.27 H new ATOM 0 HA MET A 14 12.840 -0.921 3.668 1.00 0.36 H new ATOM 0 HB2 MET A 14 14.229 0.660 5.135 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.135 0.288 6.453 1.00 0.56 H new ATOM 0 HG2 MET A 14 13.778 -2.030 6.456 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.641 -1.863 4.940 1.00 1.35 H new ATOM 0 HE1 MET A 14 17.656 -2.483 7.296 1.00 2.75 H new ATOM 0 HE2 MET A 14 16.067 -3.285 7.277 1.00 2.75 H new ATOM 0 HE3 MET A 14 16.878 -2.881 5.746 1.00 2.75 H new ATOM 216 N ASP A 15 10.991 -1.022 6.394 1.00 0.36 N ATOM 217 CA ASP A 15 10.035 -1.853 7.131 1.00 0.41 C ATOM 218 C ASP A 15 8.668 -1.837 6.451 1.00 0.34 C ATOM 219 O ASP A 15 7.856 -2.741 6.645 1.00 0.41 O ATOM 220 CB ASP A 15 9.922 -1.340 8.573 1.00 0.56 C ATOM 221 CG ASP A 15 8.849 -2.042 9.386 1.00 1.18 C ATOM 222 OD1 ASP A 15 9.054 -3.211 9.775 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.802 -1.418 9.665 1.00 1.49 O ATOM 0 H ASP A 15 11.326 -0.214 6.919 1.00 0.36 H new ATOM 0 HA ASP A 15 10.393 -2.883 7.141 1.00 0.41 H new ATOM 0 HB2 ASP A 15 10.884 -1.466 9.071 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.710 -0.271 8.554 1.00 0.56 H new ATOM 228 N MET A 16 8.444 -0.807 5.639 1.00 0.29 N ATOM 229 CA MET A 16 7.209 -0.653 4.883 1.00 0.35 C ATOM 230 C MET A 16 6.022 -0.397 5.807 1.00 0.37 C ATOM 231 O MET A 16 5.272 -1.313 6.147 1.00 0.69 O ATOM 232 CB MET A 16 6.950 -1.882 3.991 1.00 0.49 C ATOM 233 CG MET A 16 5.610 -1.853 3.266 1.00 0.67 C ATOM 234 SD MET A 16 5.345 -3.289 2.208 1.00 0.73 S ATOM 235 CE MET A 16 6.602 -3.034 0.962 1.00 0.48 C ATOM 0 H MET A 16 9.117 -0.055 5.488 1.00 0.29 H new ATOM 0 HA MET A 16 7.325 0.218 4.237 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.749 -1.957 3.253 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.999 -2.781 4.606 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.807 -1.798 4.001 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.551 -0.948 2.661 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.835 -3.984 0.480 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.237 -2.328 0.216 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.502 -2.634 1.429 1.00 0.48 H new ATOM 245 N LYS A 17 5.861 0.845 6.245 1.00 0.31 N ATOM 246 CA LYS A 17 4.674 1.206 6.996 1.00 0.31 C ATOM 247 C LYS A 17 3.704 1.958 6.114 1.00 0.27 C ATOM 248 O LYS A 17 2.666 1.418 5.757 1.00 0.29 O ATOM 249 CB LYS A 17 5.041 2.084 8.186 1.00 0.42 C ATOM 250 CG LYS A 17 6.017 1.422 9.125 1.00 0.59 C ATOM 251 CD LYS A 17 6.209 2.225 10.397 1.00 0.70 C ATOM 252 CE LYS A 17 7.256 1.590 11.291 1.00 0.98 C ATOM 253 NZ LYS A 17 6.929 0.175 11.625 1.00 1.40 N ATOM 0 H LYS A 17 6.526 1.604 6.095 1.00 0.31 H new ATOM 0 HA LYS A 17 4.209 0.287 7.353 1.00 0.31 H new ATOM 0 HB2 LYS A 17 5.470 3.018 7.823 1.00 0.42 H new ATOM 0 HB3 LYS A 17 4.135 2.341 8.734 1.00 0.42 H new ATOM 0 HG2 LYS A 17 5.659 0.424 9.376 1.00 0.59 H new ATOM 0 HG3 LYS A 17 6.977 1.300 8.624 1.00 0.59 H new ATOM 0 HD2 LYS A 17 6.509 3.243 10.146 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.262 2.295 10.933 1.00 0.70 H new ATOM 0 HE2 LYS A 17 8.226 1.630 10.796 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.344 2.168 12.211 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 7.552 -0.154 12.390 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 5.938 0.111 11.933 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 7.069 -0.421 10.785 1.00 1.40 H new ATOM 267 N PHE A 18 4.123 3.145 5.655 1.00 0.29 N ATOM 268 CA PHE A 18 3.277 3.997 4.807 1.00 0.30 C ATOM 269 C PHE A 18 3.806 5.439 4.790 1.00 0.38 C ATOM 270 O PHE A 18 3.038 6.389 4.855 1.00 0.68 O ATOM 271 CB PHE A 18 1.838 3.987 5.331 1.00 0.27 C ATOM 272 CG PHE A 18 0.833 3.673 4.273 1.00 0.30 C ATOM 273 CD1 PHE A 18 0.288 4.665 3.474 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.425 2.380 4.099 1.00 0.32 C ATOM 275 CE1 PHE A 18 -0.663 4.358 2.518 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.519 2.054 3.146 1.00 0.38 C ATOM 277 CZ PHE A 18 -1.002 3.132 2.266 1.00 0.44 C ATOM 0 H PHE A 18 5.043 3.537 5.856 1.00 0.29 H new ATOM 0 HA PHE A 18 3.299 3.602 3.791 1.00 0.30 H new ATOM 0 HB2 PHE A 18 1.754 3.253 6.133 1.00 0.27 H new ATOM 0 HB3 PHE A 18 1.609 4.960 5.765 1.00 0.27 H new ATOM 0 HD1 PHE A 18 0.609 5.689 3.599 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.848 1.601 4.717 1.00 0.32 H new ATOM 0 HE1 PHE A 18 -1.135 5.159 1.968 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.890 1.044 3.049 1.00 0.38 H new ATOM 0 HZ PHE A 18 -1.632 2.904 1.419 1.00 0.44 H new ATOM 287 N THR A 19 5.105 5.574 4.564 1.00 0.21 N ATOM 288 CA THR A 19 5.830 6.814 4.869 1.00 0.23 C ATOM 289 C THR A 19 5.527 7.953 3.887 1.00 0.22 C ATOM 290 O THR A 19 6.005 9.077 4.062 1.00 0.26 O ATOM 291 CB THR A 19 7.347 6.581 4.932 1.00 0.30 C ATOM 292 OG1 THR A 19 7.767 5.801 3.811 1.00 0.63 O ATOM 293 CG2 THR A 19 7.738 5.886 6.225 1.00 0.43 C ATOM 0 H THR A 19 5.688 4.837 4.167 1.00 0.21 H new ATOM 0 HA THR A 19 5.470 7.123 5.850 1.00 0.23 H new ATOM 0 HB THR A 19 7.844 7.551 4.903 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.687 6.039 3.573 1.00 0.63 H new ATOM 0 HG21 THR A 19 8.817 5.733 6.244 1.00 0.43 H new ATOM 0 HG22 THR A 19 7.444 6.504 7.073 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.234 4.922 6.287 1.00 0.43 H new ATOM 301 N TYR A 20 4.760 7.664 2.851 1.00 0.21 N ATOM 302 CA TYR A 20 4.235 8.694 1.970 1.00 0.23 C ATOM 303 C TYR A 20 2.881 8.268 1.439 1.00 0.21 C ATOM 304 O TYR A 20 2.701 7.123 1.021 1.00 0.22 O ATOM 305 CB TYR A 20 5.185 8.969 0.808 1.00 0.31 C ATOM 306 CG TYR A 20 4.584 9.832 -0.289 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.666 11.216 -0.236 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.921 9.258 -1.369 1.00 0.46 C ATOM 309 CE1 TYR A 20 4.110 12.002 -1.228 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.361 10.039 -2.362 1.00 0.57 C ATOM 311 CZ TYR A 20 3.458 11.409 -2.287 1.00 0.64 C ATOM 312 OH TYR A 20 2.898 12.190 -3.275 1.00 0.77 O ATOM 0 H TYR A 20 4.484 6.715 2.597 1.00 0.21 H new ATOM 0 HA TYR A 20 4.132 9.614 2.545 1.00 0.23 H new ATOM 0 HB2 TYR A 20 6.080 9.458 1.192 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.501 8.019 0.377 1.00 0.31 H new ATOM 0 HD1 TYR A 20 5.172 11.687 0.594 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.843 8.183 -1.432 1.00 0.46 H new ATOM 0 HE1 TYR A 20 4.186 13.078 -1.173 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.850 9.576 -3.193 1.00 0.57 H new ATOM 0 HH TYR A 20 2.478 11.615 -3.948 1.00 0.77 H new ATOM 322 N CYS A 21 1.932 9.184 1.467 1.00 0.19 N ATOM 323 CA CYS A 21 0.601 8.919 0.975 1.00 0.19 C ATOM 324 C CYS A 21 0.131 10.085 0.123 1.00 0.18 C ATOM 325 O CYS A 21 0.342 11.246 0.484 1.00 0.21 O ATOM 326 CB CYS A 21 -0.351 8.767 2.151 1.00 0.20 C ATOM 327 SG CYS A 21 0.208 7.654 3.448 1.00 0.34 S ATOM 0 H CYS A 21 2.065 10.128 1.831 1.00 0.19 H new ATOM 0 HA CYS A 21 0.615 8.005 0.381 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.524 9.751 2.588 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.311 8.411 1.777 1.00 0.20 H new ATOM 0 HG CYS A 21 -0.157 6.439 3.164 1.00 0.34 H new ATOM 333 N ASP A 22 -0.480 9.789 -1.007 1.00 0.17 N ATOM 334 CA ASP A 22 -1.126 10.819 -1.800 1.00 0.18 C ATOM 335 C ASP A 22 -2.414 11.255 -1.108 1.00 0.18 C ATOM 336 O ASP A 22 -3.012 10.479 -0.362 1.00 0.20 O ATOM 337 CB ASP A 22 -1.417 10.302 -3.203 1.00 0.20 C ATOM 338 CG ASP A 22 -1.988 11.374 -4.107 1.00 0.27 C ATOM 339 OD1 ASP A 22 -3.227 11.540 -4.129 1.00 0.55 O ATOM 340 OD2 ASP A 22 -1.205 12.052 -4.799 1.00 0.67 O ATOM 0 H ASP A 22 -0.543 8.848 -1.396 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.461 11.678 -1.889 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.498 9.913 -3.641 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.119 9.470 -3.142 1.00 0.20 H new ATOM 345 N ASP A 23 -2.841 12.486 -1.361 1.00 0.20 N ATOM 346 CA ASP A 23 -3.969 13.077 -0.635 1.00 0.23 C ATOM 347 C ASP A 23 -5.266 12.324 -0.905 1.00 0.21 C ATOM 348 O ASP A 23 -6.165 12.298 -0.066 1.00 0.23 O ATOM 349 CB ASP A 23 -4.145 14.556 -0.986 1.00 0.31 C ATOM 350 CG ASP A 23 -4.452 14.796 -2.448 1.00 1.33 C ATOM 351 OD1 ASP A 23 -3.503 14.895 -3.249 1.00 1.97 O ATOM 352 OD2 ASP A 23 -5.646 14.854 -2.806 1.00 2.12 O ATOM 0 H ASP A 23 -2.426 13.098 -2.063 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.737 12.996 0.427 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -4.950 14.972 -0.381 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -3.236 15.095 -0.720 1.00 0.31 H new ATOM 357 N ARG A 24 -5.332 11.700 -2.072 1.00 0.20 N ATOM 358 CA ARG A 24 -6.499 10.932 -2.502 1.00 0.21 C ATOM 359 C ARG A 24 -6.870 9.823 -1.517 1.00 0.19 C ATOM 360 O ARG A 24 -7.999 9.325 -1.527 1.00 0.21 O ATOM 361 CB ARG A 24 -6.243 10.347 -3.881 1.00 0.24 C ATOM 362 CG ARG A 24 -6.365 11.369 -4.995 1.00 0.66 C ATOM 363 CD ARG A 24 -6.079 10.757 -6.353 1.00 1.23 C ATOM 364 NE ARG A 24 -6.285 11.715 -7.439 1.00 1.64 N ATOM 365 CZ ARG A 24 -5.828 11.551 -8.675 1.00 2.49 C ATOM 366 NH1 ARG A 24 -5.109 10.479 -8.987 1.00 3.22 N ATOM 367 NH2 ARG A 24 -6.093 12.463 -9.602 1.00 2.98 N ATOM 0 H ARG A 24 -4.574 11.710 -2.754 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.347 11.616 -2.538 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.244 9.911 -3.904 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.949 9.536 -4.061 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -7.369 11.793 -4.991 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.672 12.190 -4.813 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -5.051 10.395 -6.379 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.725 9.892 -6.505 1.00 1.23 H new ATOM 0 HE ARG A 24 -6.813 12.563 -7.234 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -4.905 9.777 -8.276 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -4.760 10.358 -9.938 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -6.646 13.286 -9.364 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -5.744 12.341 -10.552 1.00 2.98 H new ATOM 381 N ILE A 25 -5.919 9.425 -0.681 1.00 0.17 N ATOM 382 CA ILE A 25 -6.139 8.340 0.265 1.00 0.18 C ATOM 383 C ILE A 25 -7.308 8.669 1.205 1.00 0.19 C ATOM 384 O ILE A 25 -7.989 7.774 1.699 1.00 0.21 O ATOM 385 CB ILE A 25 -4.861 8.047 1.086 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.019 6.748 1.873 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.544 9.202 2.027 1.00 0.19 C ATOM 388 CD1 ILE A 25 -3.752 6.305 2.566 1.00 0.76 C ATOM 0 H ILE A 25 -4.987 9.838 -0.639 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.390 7.447 -0.307 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.029 7.935 0.391 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.805 6.877 2.617 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.348 5.960 1.196 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.641 8.973 2.593 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.387 10.111 1.447 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.376 9.350 2.715 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -3.938 5.376 3.105 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -2.969 6.144 1.825 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.433 7.075 3.269 1.00 0.76 H new ATOM 400 N THR A 26 -7.515 9.963 1.446 1.00 0.20 N ATOM 401 CA THR A 26 -8.666 10.441 2.211 1.00 0.22 C ATOM 402 C THR A 26 -9.974 9.885 1.646 1.00 0.25 C ATOM 403 O THR A 26 -10.847 9.440 2.392 1.00 0.31 O ATOM 404 CB THR A 26 -8.728 11.982 2.221 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.668 12.486 0.879 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.586 12.563 3.042 1.00 0.26 C ATOM 0 H THR A 26 -6.895 10.704 1.119 1.00 0.20 H new ATOM 0 HA THR A 26 -8.541 10.085 3.234 1.00 0.22 H new ATOM 0 HB THR A 26 -9.671 12.283 2.677 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.732 12.609 0.617 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.650 13.651 3.035 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.655 12.202 4.068 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.634 12.253 2.612 1.00 0.26 H new ATOM 414 N GLU A 27 -10.088 9.896 0.325 1.00 0.25 N ATOM 415 CA GLU A 27 -11.266 9.368 -0.354 1.00 0.30 C ATOM 416 C GLU A 27 -11.297 7.848 -0.301 1.00 0.33 C ATOM 417 O GLU A 27 -12.360 7.238 -0.193 1.00 0.43 O ATOM 418 CB GLU A 27 -11.277 9.777 -1.826 1.00 0.38 C ATOM 419 CG GLU A 27 -11.413 11.262 -2.084 1.00 0.55 C ATOM 420 CD GLU A 27 -11.480 11.557 -3.569 1.00 1.43 C ATOM 421 OE1 GLU A 27 -12.436 11.112 -4.230 1.00 1.63 O ATOM 422 OE2 GLU A 27 -10.576 12.259 -4.077 1.00 2.28 O ATOM 0 H GLU A 27 -9.374 10.267 -0.302 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.134 9.779 0.161 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.355 9.427 -2.290 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.099 9.262 -2.323 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -12.312 11.638 -1.595 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.567 11.789 -1.644 1.00 0.55 H new ATOM 429 N LEU A 28 -10.121 7.247 -0.381 1.00 0.27 N ATOM 430 CA LEU A 28 -10.012 5.825 -0.669 1.00 0.30 C ATOM 431 C LEU A 28 -10.004 4.971 0.596 1.00 0.31 C ATOM 432 O LEU A 28 -10.802 4.045 0.733 1.00 0.35 O ATOM 433 CB LEU A 28 -8.748 5.578 -1.496 1.00 0.30 C ATOM 434 CG LEU A 28 -8.615 6.477 -2.731 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.318 6.194 -3.466 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.808 6.290 -3.658 1.00 0.32 C ATOM 0 H LEU A 28 -9.228 7.721 -0.251 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.894 5.526 -1.236 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.876 5.726 -0.858 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.736 4.536 -1.817 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.597 7.515 -2.398 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.245 6.843 -4.339 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.475 6.383 -2.802 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.301 5.152 -3.786 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.697 6.936 -4.529 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.858 5.250 -3.981 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.725 6.550 -3.128 1.00 0.32 H new ATOM 448 N ILE A 29 -9.107 5.292 1.516 1.00 0.28 N ATOM 449 CA ILE A 29 -8.933 4.496 2.725 1.00 0.30 C ATOM 450 C ILE A 29 -9.589 5.196 3.920 1.00 0.29 C ATOM 451 O ILE A 29 -9.698 4.640 5.010 1.00 0.33 O ATOM 452 CB ILE A 29 -7.432 4.237 3.010 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.723 3.762 1.734 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.255 3.203 4.114 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.305 2.493 1.142 1.00 1.10 C ATOM 0 H ILE A 29 -8.487 6.099 1.450 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.419 3.533 2.570 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.986 5.175 3.341 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -6.771 4.555 0.987 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -5.669 3.597 1.956 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.192 3.041 4.293 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.727 3.563 5.028 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.719 2.264 3.811 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -6.750 2.223 0.244 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.232 1.685 1.870 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.352 2.658 0.886 1.00 1.10 H new ATOM 467 N GLY A 30 -10.055 6.412 3.693 1.00 0.27 N ATOM 468 CA GLY A 30 -10.769 7.143 4.725 1.00 0.29 C ATOM 469 C GLY A 30 -9.886 7.879 5.721 1.00 0.28 C ATOM 470 O GLY A 30 -10.356 8.812 6.372 1.00 0.32 O ATOM 0 H GLY A 30 -9.953 6.911 2.809 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.430 7.865 4.246 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.403 6.444 5.271 1.00 0.29 H new ATOM 474 N TYR A 31 -8.622 7.483 5.860 1.00 0.28 N ATOM 475 CA TYR A 31 -7.738 8.119 6.829 1.00 0.33 C ATOM 476 C TYR A 31 -7.175 9.418 6.274 1.00 0.34 C ATOM 477 O TYR A 31 -7.681 9.982 5.302 1.00 0.43 O ATOM 478 CB TYR A 31 -6.556 7.220 7.182 1.00 0.38 C ATOM 479 CG TYR A 31 -6.869 5.962 7.960 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.039 6.001 9.336 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.042 4.746 7.312 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.379 4.866 10.047 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.372 3.603 8.016 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.350 3.630 9.398 1.00 0.46 C ATOM 485 OH TYR A 31 -7.891 2.540 10.088 1.00 0.53 O ATOM 0 H TYR A 31 -8.192 6.732 5.319 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.338 8.310 7.719 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -6.059 6.932 6.256 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.842 7.808 7.758 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -6.903 6.935 9.861 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.917 4.692 6.241 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -7.662 4.934 11.087 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.644 2.699 7.492 1.00 0.43 H new ATOM 0 HH TYR A 31 -7.816 1.734 9.536 1.00 0.53 H new ATOM 495 N HIS A 32 -6.106 9.871 6.900 1.00 0.31 N ATOM 496 CA HIS A 32 -5.342 11.006 6.427 1.00 0.34 C ATOM 497 C HIS A 32 -3.997 10.499 5.906 1.00 0.23 C ATOM 498 O HIS A 32 -3.492 9.496 6.404 1.00 0.23 O ATOM 499 CB HIS A 32 -5.117 11.974 7.588 1.00 0.52 C ATOM 500 CG HIS A 32 -5.603 13.371 7.364 1.00 0.68 C ATOM 501 ND1 HIS A 32 -5.792 13.928 6.118 1.00 1.52 N ATOM 502 CD2 HIS A 32 -5.886 14.348 8.254 1.00 1.52 C ATOM 503 CE1 HIS A 32 -6.161 15.186 6.254 1.00 1.90 C ATOM 504 NE2 HIS A 32 -6.229 15.464 7.541 1.00 1.89 N ATOM 0 H HIS A 32 -5.741 9.457 7.758 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.876 11.522 5.629 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.611 11.573 8.473 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.050 12.010 7.807 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -5.848 14.263 9.330 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.372 15.873 5.448 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -6.494 16.364 7.940 1.00 1.89 H new ATOM 513 N PRO A 33 -3.401 11.145 4.892 1.00 0.24 N ATOM 514 CA PRO A 33 -2.066 10.768 4.415 1.00 0.27 C ATOM 515 C PRO A 33 -1.034 10.821 5.538 1.00 0.25 C ATOM 516 O PRO A 33 -0.204 9.930 5.680 1.00 0.29 O ATOM 517 CB PRO A 33 -1.749 11.818 3.345 1.00 0.34 C ATOM 518 CG PRO A 33 -3.075 12.340 2.913 1.00 0.33 C ATOM 519 CD PRO A 33 -3.969 12.260 4.118 1.00 0.29 C ATOM 0 HA PRO A 33 -2.038 9.746 4.036 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.123 12.615 3.747 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -1.206 11.378 2.508 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.992 13.367 2.557 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -3.477 11.749 2.090 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -3.960 13.190 4.687 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -5.005 12.068 3.838 1.00 0.29 H new ATOM 527 N GLU A 34 -1.162 11.842 6.373 1.00 0.25 N ATOM 528 CA GLU A 34 -0.244 12.074 7.488 1.00 0.30 C ATOM 529 C GLU A 34 -0.519 11.080 8.607 1.00 0.28 C ATOM 530 O GLU A 34 0.252 10.945 9.558 1.00 0.32 O ATOM 531 CB GLU A 34 -0.395 13.499 7.999 1.00 0.37 C ATOM 532 CG GLU A 34 -1.788 13.815 8.460 1.00 1.01 C ATOM 533 CD GLU A 34 -2.545 14.625 7.434 1.00 1.68 C ATOM 534 OE1 GLU A 34 -2.880 14.074 6.367 1.00 2.13 O ATOM 535 OE2 GLU A 34 -2.822 15.812 7.696 1.00 2.14 O ATOM 0 H GLU A 34 -1.905 12.536 6.300 1.00 0.25 H new ATOM 0 HA GLU A 34 0.779 11.933 7.140 1.00 0.30 H new ATOM 0 HB2 GLU A 34 0.299 13.658 8.824 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.114 14.194 7.208 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -2.325 12.887 8.660 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.744 14.366 9.399 1.00 1.01 H new ATOM 542 N GLU A 35 -1.638 10.397 8.461 1.00 0.26 N ATOM 543 CA GLU A 35 -2.095 9.422 9.438 1.00 0.29 C ATOM 544 C GLU A 35 -1.367 8.096 9.241 1.00 0.29 C ATOM 545 O GLU A 35 -0.736 7.581 10.168 1.00 0.43 O ATOM 546 CB GLU A 35 -3.616 9.235 9.324 1.00 0.34 C ATOM 547 CG GLU A 35 -4.404 10.011 10.365 1.00 0.61 C ATOM 548 CD GLU A 35 -4.163 9.515 11.776 1.00 1.23 C ATOM 549 OE1 GLU A 35 -3.136 9.890 12.380 1.00 1.71 O ATOM 550 OE2 GLU A 35 -4.999 8.747 12.287 1.00 1.81 O ATOM 0 H GLU A 35 -2.260 10.502 7.659 1.00 0.26 H new ATOM 0 HA GLU A 35 -1.868 9.788 10.439 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -3.938 9.546 8.330 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -3.851 8.175 9.418 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.135 11.066 10.305 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -5.467 9.939 10.137 1.00 0.61 H new ATOM 557 N LEU A 36 -1.461 7.544 8.036 1.00 0.27 N ATOM 558 CA LEU A 36 -0.824 6.266 7.729 1.00 0.29 C ATOM 559 C LEU A 36 0.692 6.363 7.724 1.00 0.32 C ATOM 560 O LEU A 36 1.365 5.394 8.067 1.00 0.46 O ATOM 561 CB LEU A 36 -1.289 5.713 6.383 1.00 0.29 C ATOM 562 CG LEU A 36 -2.726 5.216 6.351 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.677 6.364 6.099 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.900 4.134 5.300 1.00 0.29 C ATOM 0 H LEU A 36 -1.971 7.960 7.256 1.00 0.27 H new ATOM 0 HA LEU A 36 -1.128 5.585 8.524 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -1.173 6.491 5.629 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.631 4.892 6.098 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.960 4.782 7.323 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.701 5.991 6.079 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.575 7.102 6.895 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.441 6.828 5.141 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.936 3.794 5.296 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.646 4.535 4.319 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -2.244 3.295 5.530 1.00 0.29 H new ATOM 576 N LEU A 37 1.189 7.530 7.310 1.00 0.41 N ATOM 577 CA LEU A 37 2.621 7.814 7.186 1.00 0.48 C ATOM 578 C LEU A 37 3.513 6.898 8.035 1.00 0.60 C ATOM 579 O LEU A 37 4.301 6.109 7.515 1.00 1.27 O ATOM 580 CB LEU A 37 2.900 9.273 7.540 1.00 0.76 C ATOM 581 CG LEU A 37 2.652 10.297 6.429 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.640 11.440 6.554 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.767 9.660 5.054 1.00 0.94 C ATOM 0 H LEU A 37 0.598 8.318 7.047 1.00 0.41 H new ATOM 0 HA LEU A 37 2.877 7.617 6.145 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.283 9.542 8.398 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.940 9.356 7.857 1.00 0.76 H new ATOM 0 HG LEU A 37 1.637 10.678 6.539 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.459 12.166 5.761 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.517 11.923 7.523 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.656 11.054 6.468 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.585 10.414 4.288 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.768 9.247 4.927 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.030 8.862 4.960 1.00 0.94 H new ATOM 595 N GLY A 38 3.399 7.009 9.334 1.00 0.31 N ATOM 596 CA GLY A 38 4.235 6.208 10.205 1.00 0.44 C ATOM 597 C GLY A 38 3.470 5.214 11.052 1.00 0.42 C ATOM 598 O GLY A 38 3.477 5.311 12.280 1.00 0.54 O ATOM 0 H GLY A 38 2.748 7.634 9.810 1.00 0.31 H new ATOM 0 HA2 GLY A 38 4.962 5.668 9.598 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.798 6.871 10.862 1.00 0.44 H new ATOM 602 N ARG A 39 2.797 4.269 10.414 1.00 0.34 N ATOM 603 CA ARG A 39 2.187 3.172 11.120 1.00 0.37 C ATOM 604 C ARG A 39 2.356 1.882 10.328 1.00 0.35 C ATOM 605 O ARG A 39 2.051 1.840 9.136 1.00 0.48 O ATOM 606 CB ARG A 39 0.713 3.457 11.338 1.00 0.48 C ATOM 607 CG ARG A 39 -0.052 3.682 10.055 1.00 0.48 C ATOM 608 CD ARG A 39 -1.528 3.956 10.319 1.00 0.69 C ATOM 609 NE ARG A 39 -1.735 5.184 11.091 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.706 5.349 11.994 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.607 4.393 12.192 1.00 1.80 N ATOM 612 NH2 ARG A 39 -2.791 6.488 12.673 1.00 2.61 N ATOM 0 H ARG A 39 2.664 4.247 9.403 1.00 0.34 H new ATOM 0 HA ARG A 39 2.675 3.057 12.088 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.265 2.622 11.877 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.611 4.338 11.972 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.383 4.523 9.515 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.046 2.806 9.414 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -2.057 4.033 9.369 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.961 3.113 10.858 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.097 5.963 10.929 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -3.560 3.528 11.654 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -4.346 4.524 12.883 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.116 7.234 12.504 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.531 6.616 13.363 1.00 2.61 H new ATOM 626 N SER A 40 2.927 0.871 10.978 1.00 0.37 N ATOM 627 CA SER A 40 3.080 -0.461 10.399 1.00 0.43 C ATOM 628 C SER A 40 1.855 -0.883 9.598 1.00 0.39 C ATOM 629 O SER A 40 0.807 -1.209 10.158 1.00 0.43 O ATOM 630 CB SER A 40 3.360 -1.475 11.509 1.00 0.57 C ATOM 631 OG SER A 40 4.467 -1.066 12.300 1.00 1.23 O ATOM 0 H SER A 40 3.298 0.953 11.925 1.00 0.37 H new ATOM 0 HA SER A 40 3.922 -0.428 9.707 1.00 0.43 H new ATOM 0 HB2 SER A 40 2.477 -1.583 12.139 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.562 -2.453 11.072 1.00 0.57 H new ATOM 0 HG SER A 40 4.628 -1.728 13.005 1.00 1.23 H new ATOM 637 N ALA A 41 2.014 -0.847 8.277 1.00 0.35 N ATOM 638 CA ALA A 41 0.951 -1.181 7.345 1.00 0.34 C ATOM 639 C ALA A 41 0.224 -2.457 7.734 1.00 0.33 C ATOM 640 O ALA A 41 -0.995 -2.454 7.838 1.00 0.33 O ATOM 641 CB ALA A 41 1.513 -1.323 5.939 1.00 0.35 C ATOM 0 H ALA A 41 2.890 -0.583 7.825 1.00 0.35 H new ATOM 0 HA ALA A 41 0.229 -0.365 7.376 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.707 -1.573 5.249 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.973 -0.383 5.634 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.262 -2.115 5.925 1.00 0.35 H new ATOM 647 N TYR A 42 0.998 -3.511 7.998 1.00 0.37 N ATOM 648 CA TYR A 42 0.497 -4.891 8.122 1.00 0.42 C ATOM 649 C TYR A 42 -0.779 -5.036 8.959 1.00 0.47 C ATOM 650 O TYR A 42 -1.540 -5.983 8.754 1.00 0.55 O ATOM 651 CB TYR A 42 1.590 -5.785 8.709 1.00 0.47 C ATOM 652 CG TYR A 42 2.827 -5.886 7.843 1.00 0.54 C ATOM 653 CD1 TYR A 42 3.862 -4.969 7.971 1.00 0.67 C ATOM 654 CD2 TYR A 42 2.962 -6.900 6.902 1.00 0.72 C ATOM 655 CE1 TYR A 42 4.993 -5.058 7.185 1.00 0.84 C ATOM 656 CE2 TYR A 42 4.092 -6.994 6.113 1.00 0.90 C ATOM 657 CZ TYR A 42 5.104 -6.070 6.259 1.00 0.91 C ATOM 658 OH TYR A 42 6.232 -6.162 5.479 1.00 1.14 O ATOM 0 H TYR A 42 2.006 -3.434 8.135 1.00 0.37 H new ATOM 0 HA TYR A 42 0.231 -5.199 7.111 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.874 -5.400 9.688 1.00 0.47 H new ATOM 0 HB3 TYR A 42 1.184 -6.785 8.865 1.00 0.47 H new ATOM 0 HD1 TYR A 42 3.781 -4.174 8.697 1.00 0.67 H new ATOM 0 HD2 TYR A 42 2.171 -7.626 6.786 1.00 0.72 H new ATOM 0 HE1 TYR A 42 5.788 -4.336 7.296 1.00 0.84 H new ATOM 0 HE2 TYR A 42 4.182 -7.787 5.386 1.00 0.90 H new ATOM 0 HH TYR A 42 6.152 -6.932 4.878 1.00 1.14 H new ATOM 668 N GLU A 43 -1.022 -4.118 9.886 1.00 0.48 N ATOM 669 CA GLU A 43 -2.217 -4.187 10.720 1.00 0.56 C ATOM 670 C GLU A 43 -3.483 -3.962 9.885 1.00 0.57 C ATOM 671 O GLU A 43 -4.291 -4.877 9.707 1.00 1.01 O ATOM 672 CB GLU A 43 -2.123 -3.160 11.847 1.00 0.65 C ATOM 673 CG GLU A 43 -0.941 -3.397 12.772 1.00 0.95 C ATOM 674 CD GLU A 43 -0.834 -2.358 13.869 1.00 1.72 C ATOM 675 OE1 GLU A 43 -1.735 -2.304 14.733 1.00 1.89 O ATOM 676 OE2 GLU A 43 0.155 -1.597 13.879 1.00 2.57 O ATOM 0 H GLU A 43 -0.413 -3.323 10.079 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.280 -5.184 11.156 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.045 -2.162 11.416 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.044 -3.184 12.430 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -1.031 -4.386 13.222 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.022 -3.396 12.186 1.00 0.95 H new ATOM 683 N PHE A 44 -3.646 -2.749 9.371 1.00 0.40 N ATOM 684 CA PHE A 44 -4.786 -2.405 8.517 1.00 0.38 C ATOM 685 C PHE A 44 -4.581 -2.920 7.095 1.00 0.30 C ATOM 686 O PHE A 44 -5.504 -2.944 6.280 1.00 0.40 O ATOM 687 CB PHE A 44 -4.979 -0.887 8.492 1.00 0.48 C ATOM 688 CG PHE A 44 -3.761 -0.133 8.030 1.00 0.48 C ATOM 689 CD1 PHE A 44 -2.775 0.235 8.932 1.00 0.50 C ATOM 690 CD2 PHE A 44 -3.594 0.197 6.694 1.00 0.62 C ATOM 691 CE1 PHE A 44 -1.652 0.917 8.514 1.00 0.56 C ATOM 692 CE2 PHE A 44 -2.470 0.880 6.269 1.00 0.77 C ATOM 693 CZ PHE A 44 -1.497 1.240 7.180 1.00 0.70 C ATOM 0 H PHE A 44 -2.998 -1.977 9.531 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.676 -2.880 8.930 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -5.816 -0.646 7.836 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.249 -0.547 9.492 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -2.888 -0.016 9.976 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.351 -0.083 5.977 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -0.894 1.199 9.230 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -2.353 1.132 5.225 1.00 0.77 H new ATOM 0 HZ PHE A 44 -0.617 1.773 6.850 1.00 0.70 H new ATOM 703 N TYR A 45 -3.353 -3.301 6.798 1.00 0.29 N ATOM 704 CA TYR A 45 -2.967 -3.743 5.468 1.00 0.28 C ATOM 705 C TYR A 45 -3.572 -5.098 5.134 1.00 0.30 C ATOM 706 O TYR A 45 -2.868 -6.109 5.140 1.00 0.37 O ATOM 707 CB TYR A 45 -1.443 -3.834 5.386 1.00 0.34 C ATOM 708 CG TYR A 45 -0.847 -3.484 4.045 1.00 0.42 C ATOM 709 CD1 TYR A 45 -1.273 -2.358 3.357 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.118 -4.293 3.455 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.752 -2.041 2.118 1.00 0.61 C ATOM 712 CE2 TYR A 45 0.645 -3.982 2.216 1.00 0.68 C ATOM 713 CZ TYR A 45 0.295 -2.827 1.598 1.00 0.68 C ATOM 714 OH TYR A 45 0.733 -2.541 0.323 1.00 0.85 O ATOM 0 H TYR A 45 -2.590 -3.313 7.475 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.342 -3.017 4.747 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -1.015 -3.172 6.139 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.142 -4.849 5.645 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -2.024 -1.719 3.797 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.460 -5.177 3.972 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -1.141 -1.204 1.557 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.337 -4.660 1.739 1.00 0.68 H new ATOM 0 HH TYR A 45 1.597 -2.976 0.169 1.00 0.85 H new ATOM 724 N HIS A 46 -4.877 -5.103 4.843 1.00 0.28 N ATOM 725 CA HIS A 46 -5.595 -6.303 4.390 1.00 0.31 C ATOM 726 C HIS A 46 -5.810 -7.269 5.552 1.00 0.37 C ATOM 727 O HIS A 46 -4.891 -7.542 6.320 1.00 0.57 O ATOM 728 CB HIS A 46 -4.842 -7.001 3.242 1.00 0.37 C ATOM 729 CG HIS A 46 -4.137 -6.042 2.329 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.770 -6.038 2.157 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.599 -4.991 1.620 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.430 -5.021 1.388 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.519 -4.375 1.052 1.00 0.43 N ATOM 0 H HIS A 46 -5.468 -4.275 4.914 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.568 -5.989 4.013 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -4.114 -7.694 3.662 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.548 -7.594 2.661 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.632 -4.692 1.520 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.425 -4.765 1.087 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.555 -3.545 0.461 1.00 0.43 H new ATOM 742 N ALA A 47 -7.024 -7.780 5.705 1.00 0.39 N ATOM 743 CA ALA A 47 -7.287 -8.731 6.774 1.00 0.44 C ATOM 744 C ALA A 47 -6.823 -10.134 6.394 1.00 0.44 C ATOM 745 O ALA A 47 -5.898 -10.671 6.997 1.00 0.48 O ATOM 746 CB ALA A 47 -8.769 -8.747 7.109 1.00 0.57 C ATOM 0 H ALA A 47 -7.826 -7.558 5.116 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.723 -8.413 7.651 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.953 -9.463 7.910 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -9.080 -7.753 7.431 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -9.339 -9.037 6.226 1.00 0.57 H new ATOM 752 N LEU A 48 -7.443 -10.709 5.369 1.00 0.48 N ATOM 753 CA LEU A 48 -7.060 -12.036 4.896 1.00 0.53 C ATOM 754 C LEU A 48 -5.965 -11.970 3.841 1.00 0.48 C ATOM 755 O LEU A 48 -5.275 -12.959 3.593 1.00 0.52 O ATOM 756 CB LEU A 48 -8.271 -12.795 4.329 1.00 0.67 C ATOM 757 CG LEU A 48 -8.953 -12.156 3.114 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.718 -13.206 2.321 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.897 -11.045 3.549 1.00 0.99 C ATOM 0 H LEU A 48 -8.210 -10.280 4.851 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.672 -12.574 5.761 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.949 -13.800 4.054 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -9.011 -12.903 5.122 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.179 -11.726 2.478 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.196 -12.736 1.462 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.028 -13.976 1.976 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.479 -13.659 2.957 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.370 -10.605 2.671 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.663 -11.455 4.207 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.335 -10.277 4.081 1.00 0.99 H new ATOM 771 N ASP A 49 -5.791 -10.804 3.238 1.00 0.45 N ATOM 772 CA ASP A 49 -4.869 -10.660 2.113 1.00 0.45 C ATOM 773 C ASP A 49 -3.505 -10.165 2.586 1.00 0.41 C ATOM 774 O ASP A 49 -2.579 -9.997 1.787 1.00 0.49 O ATOM 775 CB ASP A 49 -5.433 -9.664 1.099 1.00 0.55 C ATOM 776 CG ASP A 49 -6.918 -9.832 0.882 1.00 0.91 C ATOM 777 OD1 ASP A 49 -7.701 -9.457 1.776 1.00 1.64 O ATOM 778 OD2 ASP A 49 -7.297 -10.366 -0.181 1.00 1.07 O ATOM 0 H ASP A 49 -6.272 -9.945 3.504 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.751 -11.639 1.648 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -5.233 -8.649 1.442 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -4.915 -9.787 0.148 1.00 0.55 H new ATOM 783 N SER A 50 -3.389 -9.897 3.883 1.00 0.36 N ATOM 784 CA SER A 50 -2.133 -9.427 4.464 1.00 0.35 C ATOM 785 C SER A 50 -1.020 -10.451 4.266 1.00 0.35 C ATOM 786 O SER A 50 0.096 -10.085 3.901 1.00 0.41 O ATOM 787 CB SER A 50 -2.303 -9.123 5.956 1.00 0.37 C ATOM 788 OG SER A 50 -1.198 -8.394 6.470 1.00 1.25 O ATOM 0 H SER A 50 -4.151 -9.997 4.554 1.00 0.36 H new ATOM 0 HA SER A 50 -1.855 -8.508 3.948 1.00 0.35 H new ATOM 0 HB2 SER A 50 -3.219 -8.553 6.110 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.412 -10.057 6.508 1.00 0.37 H new ATOM 0 HG SER A 50 -1.303 -7.444 6.253 1.00 1.25 H new ATOM 794 N GLU A 51 -1.330 -11.725 4.495 1.00 0.38 N ATOM 795 CA GLU A 51 -0.355 -12.799 4.304 1.00 0.45 C ATOM 796 C GLU A 51 0.249 -12.754 2.906 1.00 0.43 C ATOM 797 O GLU A 51 1.461 -12.893 2.738 1.00 0.47 O ATOM 798 CB GLU A 51 -1.001 -14.163 4.544 1.00 0.55 C ATOM 799 CG GLU A 51 -1.268 -14.458 6.010 1.00 1.32 C ATOM 800 CD GLU A 51 0.005 -14.660 6.810 1.00 1.99 C ATOM 801 OE1 GLU A 51 0.811 -13.708 6.903 1.00 2.49 O ATOM 802 OE2 GLU A 51 0.219 -15.773 7.334 1.00 2.68 O ATOM 0 H GLU A 51 -2.247 -12.040 4.813 1.00 0.38 H new ATOM 0 HA GLU A 51 0.444 -12.650 5.031 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.941 -14.213 3.995 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -0.353 -14.940 4.138 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -1.838 -13.636 6.443 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -1.887 -15.352 6.089 1.00 1.32 H new ATOM 809 N ASN A 52 -0.598 -12.541 1.910 1.00 0.43 N ATOM 810 CA ASN A 52 -0.148 -12.443 0.527 1.00 0.48 C ATOM 811 C ASN A 52 0.852 -11.310 0.363 1.00 0.41 C ATOM 812 O ASN A 52 1.902 -11.480 -0.250 1.00 0.44 O ATOM 813 CB ASN A 52 -1.335 -12.217 -0.409 1.00 0.56 C ATOM 814 CG ASN A 52 -2.319 -13.367 -0.386 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.253 -13.382 0.418 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.114 -14.340 -1.257 1.00 1.31 N ATOM 0 H ASN A 52 -1.605 -12.432 2.033 1.00 0.43 H new ATOM 0 HA ASN A 52 0.338 -13.383 0.267 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.848 -11.298 -0.124 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -0.970 -12.076 -1.426 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.742 -15.144 -1.281 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -1.328 -14.287 -1.905 1.00 1.31 H new ATOM 823 N MET A 53 0.531 -10.164 0.942 1.00 0.35 N ATOM 824 CA MET A 53 1.385 -8.990 0.827 1.00 0.35 C ATOM 825 C MET A 53 2.627 -9.116 1.701 1.00 0.34 C ATOM 826 O MET A 53 3.646 -8.476 1.442 1.00 0.35 O ATOM 827 CB MET A 53 0.613 -7.728 1.189 1.00 0.42 C ATOM 828 CG MET A 53 -0.505 -7.406 0.214 1.00 0.96 C ATOM 829 SD MET A 53 0.090 -7.009 -1.441 1.00 1.28 S ATOM 830 CE MET A 53 1.147 -5.602 -1.102 1.00 0.79 C ATOM 0 H MET A 53 -0.313 -10.021 1.496 1.00 0.35 H new ATOM 0 HA MET A 53 1.710 -8.920 -0.211 1.00 0.35 H new ATOM 0 HB2 MET A 53 0.192 -7.842 2.188 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.305 -6.886 1.228 1.00 0.42 H new ATOM 0 HG2 MET A 53 -1.183 -8.257 0.155 1.00 0.96 H new ATOM 0 HG3 MET A 53 -1.082 -6.564 0.597 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.388 -5.094 -2.036 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.630 -4.911 -0.436 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.067 -5.944 -0.628 1.00 0.79 H new ATOM 840 N THR A 54 2.542 -9.934 2.740 1.00 0.37 N ATOM 841 CA THR A 54 3.706 -10.243 3.553 1.00 0.45 C ATOM 842 C THR A 54 4.734 -10.981 2.697 1.00 0.45 C ATOM 843 O THR A 54 5.933 -10.707 2.754 1.00 0.48 O ATOM 844 CB THR A 54 3.327 -11.097 4.782 1.00 0.55 C ATOM 845 OG1 THR A 54 2.243 -10.478 5.488 1.00 0.57 O ATOM 846 CG2 THR A 54 4.514 -11.263 5.719 1.00 0.72 C ATOM 0 H THR A 54 1.682 -10.394 3.038 1.00 0.37 H new ATOM 0 HA THR A 54 4.130 -9.308 3.920 1.00 0.45 H new ATOM 0 HB THR A 54 3.023 -12.083 4.431 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.413 -10.594 4.980 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.219 -11.869 6.576 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.329 -11.756 5.190 1.00 0.72 H new ATOM 0 HG23 THR A 54 4.845 -10.283 6.064 1.00 0.72 H new ATOM 854 N LYS A 55 4.239 -11.900 1.872 1.00 0.46 N ATOM 855 CA LYS A 55 5.076 -12.603 0.910 1.00 0.52 C ATOM 856 C LYS A 55 5.502 -11.658 -0.203 1.00 0.41 C ATOM 857 O LYS A 55 6.572 -11.814 -0.782 1.00 0.42 O ATOM 858 CB LYS A 55 4.341 -13.815 0.324 1.00 0.67 C ATOM 859 CG LYS A 55 4.375 -15.061 1.203 1.00 0.95 C ATOM 860 CD LYS A 55 3.881 -14.782 2.612 1.00 1.14 C ATOM 861 CE LYS A 55 3.618 -16.061 3.389 1.00 1.37 C ATOM 862 NZ LYS A 55 4.851 -16.866 3.579 1.00 1.49 N ATOM 0 H LYS A 55 3.257 -12.175 1.853 1.00 0.46 H new ATOM 0 HA LYS A 55 5.964 -12.963 1.430 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.301 -13.541 0.144 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.780 -14.057 -0.644 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.760 -15.839 0.751 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.394 -15.445 1.246 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.620 -14.181 3.143 1.00 1.14 H new ATOM 0 HD3 LYS A 55 2.966 -14.192 2.565 1.00 1.14 H new ATOM 0 HE2 LYS A 55 3.195 -15.812 4.362 1.00 1.37 H new ATOM 0 HE3 LYS A 55 2.874 -16.658 2.861 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 4.627 -17.720 4.128 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 5.232 -17.141 2.651 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 5.559 -16.301 4.091 1.00 1.49 H new ATOM 876 N SER A 56 4.661 -10.674 -0.494 1.00 0.36 N ATOM 877 CA SER A 56 5.016 -9.627 -1.436 1.00 0.34 C ATOM 878 C SER A 56 6.238 -8.860 -0.938 1.00 0.28 C ATOM 879 O SER A 56 7.092 -8.467 -1.726 1.00 0.28 O ATOM 880 CB SER A 56 3.843 -8.673 -1.650 1.00 0.39 C ATOM 881 OG SER A 56 2.700 -9.363 -2.118 1.00 1.26 O ATOM 0 H SER A 56 3.729 -10.581 -0.090 1.00 0.36 H new ATOM 0 HA SER A 56 5.259 -10.092 -2.391 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.607 -8.167 -0.714 1.00 0.39 H new ATOM 0 HB3 SER A 56 4.124 -7.902 -2.367 1.00 0.39 H new ATOM 0 HG SER A 56 2.466 -10.074 -1.486 1.00 1.26 H new ATOM 887 N HIS A 57 6.326 -8.660 0.376 1.00 0.29 N ATOM 888 CA HIS A 57 7.499 -8.018 0.965 1.00 0.30 C ATOM 889 C HIS A 57 8.715 -8.922 0.789 1.00 0.31 C ATOM 890 O HIS A 57 9.815 -8.453 0.511 1.00 0.34 O ATOM 891 CB HIS A 57 7.274 -7.718 2.455 1.00 0.35 C ATOM 892 CG HIS A 57 8.258 -6.742 3.042 1.00 0.36 C ATOM 893 ND1 HIS A 57 9.153 -7.060 4.044 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.456 -5.430 2.776 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.853 -5.986 4.365 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.452 -4.984 3.612 1.00 0.39 N ATOM 0 H HIS A 57 5.607 -8.930 1.047 1.00 0.29 H new ATOM 0 HA HIS A 57 7.671 -7.071 0.454 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.266 -7.325 2.587 1.00 0.35 H new ATOM 0 HB3 HIS A 57 7.327 -8.652 3.015 1.00 0.35 H new ATOM 0 HD2 HIS A 57 7.928 -4.841 2.041 1.00 0.34 H new ATOM 0 HE1 HIS A 57 10.625 -5.939 5.119 1.00 0.51 H new ATOM 0 HE2 HIS A 57 9.820 -4.033 3.643 1.00 0.39 H new ATOM 905 N GLN A 58 8.491 -10.228 0.918 1.00 0.32 N ATOM 906 CA GLN A 58 9.550 -11.215 0.739 1.00 0.37 C ATOM 907 C GLN A 58 10.010 -11.252 -0.718 1.00 0.33 C ATOM 908 O GLN A 58 11.162 -11.564 -1.008 1.00 0.37 O ATOM 909 CB GLN A 58 9.056 -12.603 1.155 1.00 0.46 C ATOM 910 CG GLN A 58 8.462 -12.655 2.555 1.00 1.24 C ATOM 911 CD GLN A 58 9.500 -12.567 3.659 1.00 1.77 C ATOM 912 OE1 GLN A 58 10.558 -11.961 3.499 1.00 2.36 O ATOM 913 NE2 GLN A 58 9.194 -13.174 4.795 1.00 2.26 N ATOM 0 H GLN A 58 7.581 -10.627 1.147 1.00 0.32 H new ATOM 0 HA GLN A 58 10.392 -10.929 1.369 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.305 -12.939 0.440 1.00 0.46 H new ATOM 0 HB3 GLN A 58 9.888 -13.305 1.098 1.00 0.46 H new ATOM 0 HG2 GLN A 58 7.751 -11.836 2.670 1.00 1.24 H new ATOM 0 HG3 GLN A 58 7.901 -13.583 2.668 1.00 1.24 H new ATOM 0 HE21 GLN A 58 8.305 -13.666 4.887 1.00 2.26 H new ATOM 0 HE22 GLN A 58 9.847 -13.149 5.578 1.00 2.26 H new ATOM 922 N ASN A 59 9.102 -10.925 -1.627 1.00 0.28 N ATOM 923 CA ASN A 59 9.411 -10.905 -3.053 1.00 0.28 C ATOM 924 C ASN A 59 10.066 -9.587 -3.436 1.00 0.29 C ATOM 925 O ASN A 59 11.114 -9.559 -4.075 1.00 0.34 O ATOM 926 CB ASN A 59 8.136 -11.107 -3.882 1.00 0.30 C ATOM 927 CG ASN A 59 8.370 -10.919 -5.371 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.762 -11.848 -6.075 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.113 -9.718 -5.866 1.00 0.83 N ATOM 0 H ASN A 59 8.141 -10.669 -1.402 1.00 0.28 H new ATOM 0 HA ASN A 59 10.103 -11.721 -3.262 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.746 -12.109 -3.703 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.374 -10.404 -3.546 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.239 -9.539 -6.862 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.789 -8.971 -5.251 1.00 0.83 H new ATOM 936 N LEU A 60 9.444 -8.499 -3.014 1.00 0.27 N ATOM 937 CA LEU A 60 9.858 -7.158 -3.397 1.00 0.28 C ATOM 938 C LEU A 60 11.294 -6.871 -2.966 1.00 0.34 C ATOM 939 O LEU A 60 12.098 -6.387 -3.759 1.00 0.43 O ATOM 940 CB LEU A 60 8.891 -6.141 -2.789 1.00 0.25 C ATOM 941 CG LEU A 60 9.169 -4.677 -3.114 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.245 -4.457 -4.615 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.098 -3.792 -2.500 1.00 0.33 C ATOM 0 H LEU A 60 8.635 -8.520 -2.394 1.00 0.27 H new ATOM 0 HA LEU A 60 9.831 -7.079 -4.484 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.883 -6.382 -3.125 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.903 -6.261 -1.706 1.00 0.25 H new ATOM 0 HG LEU A 60 10.135 -4.409 -2.686 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.444 -3.405 -4.819 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.048 -5.066 -5.032 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.298 -4.742 -5.073 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.307 -2.749 -2.739 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.123 -4.068 -2.902 1.00 0.33 H new ATOM 0 HD23 LEU A 60 8.094 -3.923 -1.418 1.00 0.33 H new ATOM 955 N CYS A 61 11.618 -7.200 -1.723 1.00 0.36 N ATOM 956 CA CYS A 61 12.961 -6.988 -1.191 1.00 0.48 C ATOM 957 C CYS A 61 13.993 -7.856 -1.914 1.00 0.58 C ATOM 958 O CYS A 61 15.190 -7.568 -1.885 1.00 0.92 O ATOM 959 CB CYS A 61 12.993 -7.276 0.311 1.00 0.54 C ATOM 960 SG CYS A 61 11.907 -6.211 1.292 1.00 1.20 S ATOM 0 H CYS A 61 10.966 -7.617 -1.059 1.00 0.36 H new ATOM 0 HA CYS A 61 13.221 -5.943 -1.359 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.711 -8.316 0.477 1.00 0.54 H new ATOM 0 HB3 CYS A 61 14.016 -7.163 0.670 1.00 0.54 H new ATOM 0 HG CYS A 61 10.712 -6.721 1.323 1.00 1.20 H new ATOM 966 N THR A 62 13.526 -8.913 -2.564 1.00 0.54 N ATOM 967 CA THR A 62 14.424 -9.884 -3.168 1.00 0.76 C ATOM 968 C THR A 62 14.518 -9.681 -4.672 1.00 0.60 C ATOM 969 O THR A 62 15.453 -10.148 -5.323 1.00 0.82 O ATOM 970 CB THR A 62 13.986 -11.326 -2.841 1.00 1.11 C ATOM 971 OG1 THR A 62 13.736 -11.442 -1.435 1.00 1.27 O ATOM 972 CG2 THR A 62 15.058 -12.330 -3.238 1.00 1.45 C ATOM 0 H THR A 62 12.534 -9.118 -2.686 1.00 0.54 H new ATOM 0 HA THR A 62 15.415 -9.726 -2.741 1.00 0.76 H new ATOM 0 HB THR A 62 13.080 -11.542 -3.407 1.00 1.11 H new ATOM 0 HG1 THR A 62 12.793 -11.247 -1.253 1.00 1.27 H new ATOM 0 HG21 THR A 62 14.721 -13.338 -2.995 1.00 1.45 H new ATOM 0 HG22 THR A 62 15.245 -12.258 -4.309 1.00 1.45 H new ATOM 0 HG23 THR A 62 15.978 -12.114 -2.694 1.00 1.45 H new ATOM 980 N LYS A 63 13.562 -8.965 -5.225 1.00 0.50 N ATOM 981 CA LYS A 63 13.492 -8.810 -6.659 1.00 0.43 C ATOM 982 C LYS A 63 13.595 -7.347 -7.086 1.00 0.39 C ATOM 983 O LYS A 63 13.807 -7.056 -8.260 1.00 0.39 O ATOM 984 CB LYS A 63 12.191 -9.408 -7.179 1.00 0.45 C ATOM 985 CG LYS A 63 12.024 -10.903 -6.927 1.00 0.54 C ATOM 986 CD LYS A 63 12.996 -11.728 -7.754 1.00 0.68 C ATOM 987 CE LYS A 63 12.643 -13.211 -7.728 1.00 0.85 C ATOM 988 NZ LYS A 63 12.765 -13.801 -6.367 1.00 1.76 N ATOM 0 H LYS A 63 12.827 -8.484 -4.705 1.00 0.50 H new ATOM 0 HA LYS A 63 14.343 -9.338 -7.088 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.356 -8.881 -6.717 1.00 0.45 H new ATOM 0 HB3 LYS A 63 12.128 -9.226 -8.252 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.179 -11.112 -5.869 1.00 0.54 H new ATOM 0 HG3 LYS A 63 11.002 -11.200 -7.164 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.991 -11.371 -8.784 1.00 0.68 H new ATOM 0 HD3 LYS A 63 14.008 -11.588 -7.373 1.00 0.68 H new ATOM 0 HE2 LYS A 63 11.623 -13.345 -8.089 1.00 0.85 H new ATOM 0 HE3 LYS A 63 13.297 -13.749 -8.414 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 12.515 -14.810 -6.402 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 13.744 -13.699 -6.031 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 12.122 -13.307 -5.716 1.00 1.76 H new ATOM 1002 N GLY A 64 13.449 -6.424 -6.139 1.00 0.40 N ATOM 1003 CA GLY A 64 13.452 -5.006 -6.474 1.00 0.42 C ATOM 1004 C GLY A 64 12.157 -4.540 -7.118 1.00 0.37 C ATOM 1005 O GLY A 64 11.983 -3.349 -7.383 1.00 0.41 O ATOM 0 H GLY A 64 13.329 -6.630 -5.147 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.629 -4.426 -5.568 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.281 -4.801 -7.151 1.00 0.42 H new ATOM 1009 N GLN A 65 11.237 -5.466 -7.336 1.00 0.34 N ATOM 1010 CA GLN A 65 9.997 -5.178 -8.042 1.00 0.33 C ATOM 1011 C GLN A 65 8.938 -6.206 -7.655 1.00 0.34 C ATOM 1012 O GLN A 65 9.258 -7.372 -7.425 1.00 0.43 O ATOM 1013 CB GLN A 65 10.235 -5.218 -9.555 1.00 0.41 C ATOM 1014 CG GLN A 65 9.015 -4.860 -10.388 1.00 0.49 C ATOM 1015 CD GLN A 65 8.845 -3.369 -10.598 1.00 0.81 C ATOM 1016 OE1 GLN A 65 9.396 -2.794 -11.534 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.059 -2.735 -9.754 1.00 1.32 N ATOM 0 H GLN A 65 11.327 -6.435 -7.030 1.00 0.34 H new ATOM 0 HA GLN A 65 9.650 -4.182 -7.766 1.00 0.33 H new ATOM 0 HB2 GLN A 65 11.044 -4.531 -9.802 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.570 -6.218 -9.832 1.00 0.41 H new ATOM 0 HG2 GLN A 65 9.091 -5.350 -11.359 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.123 -5.255 -9.901 1.00 0.49 H new ATOM 0 HE21 GLN A 65 7.618 -3.244 -8.988 1.00 1.32 H new ATOM 0 HE22 GLN A 65 7.891 -1.735 -9.866 1.00 1.32 H new ATOM 1026 N VAL A 66 7.690 -5.770 -7.550 1.00 0.32 N ATOM 1027 CA VAL A 66 6.592 -6.668 -7.231 1.00 0.35 C ATOM 1028 C VAL A 66 5.295 -6.179 -7.874 1.00 0.33 C ATOM 1029 O VAL A 66 5.050 -4.977 -7.968 1.00 0.32 O ATOM 1030 CB VAL A 66 6.402 -6.804 -5.696 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.025 -5.479 -5.064 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.350 -7.837 -5.357 1.00 0.44 C ATOM 0 H VAL A 66 7.414 -4.797 -7.682 1.00 0.32 H new ATOM 0 HA VAL A 66 6.841 -7.650 -7.633 1.00 0.35 H new ATOM 0 HB VAL A 66 7.360 -7.129 -5.291 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.900 -5.611 -3.989 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.813 -4.750 -5.251 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.090 -5.122 -5.497 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.243 -7.906 -4.274 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.397 -7.544 -5.798 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.651 -8.806 -5.754 1.00 0.44 H new ATOM 1042 N VAL A 67 4.481 -7.110 -8.333 1.00 0.39 N ATOM 1043 CA VAL A 67 3.171 -6.784 -8.865 1.00 0.45 C ATOM 1044 C VAL A 67 2.131 -7.625 -8.145 1.00 0.49 C ATOM 1045 O VAL A 67 1.925 -8.798 -8.463 1.00 0.92 O ATOM 1046 CB VAL A 67 3.080 -7.000 -10.394 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.676 -6.699 -10.901 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.102 -6.131 -11.117 1.00 1.16 C ATOM 0 H VAL A 67 4.706 -8.105 -8.348 1.00 0.39 H new ATOM 0 HA VAL A 67 2.987 -5.723 -8.694 1.00 0.45 H new ATOM 0 HB VAL A 67 3.302 -8.047 -10.603 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.636 -6.858 -11.979 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.962 -7.361 -10.410 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.423 -5.663 -10.678 1.00 0.91 H new ATOM 0 HG21 VAL A 67 4.024 -6.296 -12.192 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.909 -5.081 -10.896 1.00 1.16 H new ATOM 0 HG23 VAL A 67 5.105 -6.394 -10.781 1.00 1.16 H new ATOM 1058 N SER A 68 1.532 -7.027 -7.130 1.00 0.52 N ATOM 1059 CA SER A 68 0.617 -7.731 -6.250 1.00 0.54 C ATOM 1060 C SER A 68 -0.672 -8.126 -6.955 1.00 0.53 C ATOM 1061 O SER A 68 -0.878 -9.295 -7.286 1.00 0.94 O ATOM 1062 CB SER A 68 0.313 -6.869 -5.024 1.00 0.58 C ATOM 1063 OG SER A 68 1.511 -6.463 -4.382 1.00 1.39 O ATOM 0 H SER A 68 1.666 -6.044 -6.894 1.00 0.52 H new ATOM 0 HA SER A 68 1.104 -8.655 -5.936 1.00 0.54 H new ATOM 0 HB2 SER A 68 -0.259 -5.991 -5.324 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.307 -7.430 -4.325 1.00 0.58 H new ATOM 0 HG SER A 68 1.490 -5.495 -4.232 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.526 -7.157 -7.193 1.00 0.46 N ATOM 1070 CA GLY A 69 -2.841 -7.447 -7.687 1.00 0.43 C ATOM 1071 C GLY A 69 -3.872 -6.870 -6.755 1.00 0.38 C ATOM 1072 O GLY A 69 -3.541 -6.490 -5.629 1.00 0.42 O ATOM 0 H GLY A 69 -1.329 -6.166 -7.051 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -2.965 -7.029 -8.686 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -2.978 -8.525 -7.774 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.095 -6.746 -7.234 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.187 -6.280 -6.423 1.00 0.43 C ATOM 1078 C GLN A 70 -6.286 -7.089 -5.134 1.00 0.35 C ATOM 1079 O GLN A 70 -6.494 -8.303 -5.136 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.474 -6.332 -7.240 1.00 0.62 C ATOM 1081 CG GLN A 70 -7.913 -7.731 -7.625 1.00 0.78 C ATOM 1082 CD GLN A 70 -8.625 -7.811 -8.960 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -9.566 -8.585 -9.117 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -8.141 -7.079 -9.948 1.00 1.31 N ATOM 0 H GLN A 70 -5.352 -6.967 -8.196 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.013 -5.246 -6.127 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.272 -5.858 -6.669 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -7.338 -5.744 -8.148 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.038 -8.380 -7.653 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -8.573 -8.119 -6.849 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -7.358 -6.447 -9.779 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -8.550 -7.146 -10.880 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.054 -6.395 -4.045 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.125 -6.959 -2.722 1.00 0.36 C ATOM 1095 C TYR A 71 -7.225 -6.269 -1.954 1.00 0.32 C ATOM 1096 O TYR A 71 -7.834 -5.317 -2.446 1.00 0.29 O ATOM 1097 CB TYR A 71 -4.788 -6.806 -1.985 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.246 -5.386 -1.943 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.066 -4.330 -1.572 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -2.926 -5.096 -2.288 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.588 -3.037 -1.540 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.445 -3.805 -2.258 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.232 -2.799 -1.848 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.811 -1.492 -1.870 1.00 0.68 O ATOM 0 H TYR A 71 -5.806 -5.406 -4.056 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.340 -8.025 -2.801 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -4.909 -7.165 -0.963 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.049 -7.449 -2.463 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.094 -4.524 -1.304 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.268 -5.899 -2.585 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -5.243 -2.218 -1.283 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.430 -3.602 -2.566 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.057 -1.402 -2.489 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.466 -6.723 -0.752 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.505 -6.151 0.061 1.00 0.33 C ATOM 1116 C ARG A 72 -7.903 -5.271 1.155 1.00 0.27 C ATOM 1117 O ARG A 72 -7.382 -5.781 2.141 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.297 -7.293 0.663 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.556 -6.883 1.365 1.00 0.65 C ATOM 1120 CD ARG A 72 -11.201 -8.091 2.023 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.660 -9.064 1.035 1.00 1.10 N ATOM 1122 CZ ARG A 72 -12.903 -9.116 0.567 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -13.816 -8.251 0.992 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -13.234 -10.032 -0.331 1.00 1.52 N ATOM 0 H ARG A 72 -6.955 -7.489 -0.314 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.157 -5.519 -0.541 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.552 -7.997 -0.129 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -8.660 -7.825 1.370 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -10.333 -6.125 2.116 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -11.249 -6.433 0.654 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -10.485 -8.565 2.695 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -12.044 -7.766 2.633 1.00 1.06 H new ATOM 0 HE ARG A 72 -10.986 -9.744 0.683 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -13.565 -7.542 1.681 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -14.768 -8.295 0.630 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -12.535 -10.697 -0.663 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -14.188 -10.072 -0.691 1.00 1.52 H new ATOM 1138 N MET A 73 -7.972 -3.953 0.991 1.00 0.26 N ATOM 1139 CA MET A 73 -7.346 -3.055 1.959 1.00 0.26 C ATOM 1140 C MET A 73 -8.378 -2.495 2.928 1.00 0.23 C ATOM 1141 O MET A 73 -9.487 -2.140 2.531 1.00 0.24 O ATOM 1142 CB MET A 73 -6.590 -1.925 1.261 1.00 0.30 C ATOM 1143 CG MET A 73 -5.906 -0.970 2.230 1.00 0.35 C ATOM 1144 SD MET A 73 -4.620 0.014 1.445 1.00 0.77 S ATOM 1145 CE MET A 73 -4.064 1.000 2.833 1.00 0.60 C ATOM 0 H MET A 73 -8.444 -3.489 0.215 1.00 0.26 H new ATOM 0 HA MET A 73 -6.623 -3.638 2.530 1.00 0.26 H new ATOM 0 HB2 MET A 73 -5.841 -2.355 0.596 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.285 -1.363 0.637 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.652 -0.305 2.665 1.00 0.35 H new ATOM 0 HG3 MET A 73 -5.471 -1.541 3.050 1.00 0.35 H new ATOM 0 HE1 MET A 73 -3.654 1.942 2.469 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.905 1.202 3.496 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.294 0.456 3.380 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.005 -2.444 4.203 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.895 -1.970 5.253 1.00 0.25 C ATOM 1157 C LEU A 74 -9.071 -0.461 5.194 1.00 0.33 C ATOM 1158 O LEU A 74 -8.098 0.291 5.200 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.345 -2.361 6.621 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.240 -2.052 7.816 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.956 -3.313 8.249 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.418 -1.490 8.960 1.00 0.42 C ATOM 0 H LEU A 74 -7.083 -2.728 4.534 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.868 -2.437 5.098 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.138 -3.431 6.615 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.392 -1.853 6.766 1.00 0.24 H new ATOM 0 HG LEU A 74 -9.978 -1.303 7.527 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.596 -3.093 9.103 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.565 -3.686 7.426 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.223 -4.069 8.530 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.071 -1.274 9.806 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.665 -2.219 9.260 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -7.926 -0.572 8.638 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.315 -0.040 5.117 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.663 1.358 5.229 1.00 0.26 C ATOM 1176 C ALA A 75 -10.817 1.737 6.688 1.00 0.31 C ATOM 1177 O ALA A 75 -11.014 0.882 7.547 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.938 1.662 4.455 1.00 0.29 C ATOM 0 H ALA A 75 -11.113 -0.659 4.975 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.860 1.953 4.795 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.180 2.720 4.554 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.791 1.420 3.402 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.757 1.064 4.854 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.746 3.031 6.929 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.722 3.626 8.261 1.00 0.30 C ATOM 1186 C LYS A 76 -11.698 2.989 9.256 1.00 0.33 C ATOM 1187 O LYS A 76 -11.354 2.767 10.410 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.052 5.102 8.109 1.00 0.39 C ATOM 1189 CG LYS A 76 -10.815 5.901 9.360 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.088 7.377 9.135 1.00 0.47 C ATOM 1191 CE LYS A 76 -12.545 7.638 8.772 1.00 0.53 C ATOM 1192 NZ LYS A 76 -12.777 9.076 8.472 1.00 1.23 N ATOM 0 H LYS A 76 -10.702 3.724 6.182 1.00 0.28 H new ATOM 0 HA LYS A 76 -9.728 3.458 8.676 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.451 5.519 7.301 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.096 5.204 7.814 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.457 5.528 10.158 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -9.785 5.766 9.690 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -10.833 7.935 10.036 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.444 7.748 8.338 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -12.820 7.035 7.907 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.189 7.327 9.595 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -13.745 9.204 8.115 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -12.651 9.636 9.339 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -12.097 9.395 7.752 1.00 1.23 H new ATOM 1206 N HIS A 77 -12.902 2.695 8.808 1.00 0.44 N ATOM 1207 CA HIS A 77 -13.952 2.207 9.705 1.00 0.62 C ATOM 1208 C HIS A 77 -14.050 0.686 9.678 1.00 0.69 C ATOM 1209 O HIS A 77 -15.061 0.112 10.081 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.308 2.846 9.357 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.426 3.316 7.935 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.125 2.644 6.958 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -14.927 4.420 7.337 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.048 3.324 5.826 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.328 4.402 6.031 1.00 0.69 N ATOM 0 H HIS A 77 -13.186 2.782 7.832 1.00 0.44 H new ATOM 0 HA HIS A 77 -13.681 2.502 10.719 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.098 2.122 9.554 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.478 3.693 10.022 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.320 5.180 7.807 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.502 3.039 4.888 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -15.105 5.109 5.331 1.00 0.69 H new ATOM 1224 N GLY A 78 -12.997 0.045 9.197 1.00 0.58 N ATOM 1225 CA GLY A 78 -12.969 -1.404 9.145 1.00 0.72 C ATOM 1226 C GLY A 78 -13.513 -1.893 7.827 1.00 0.76 C ATOM 1227 O GLY A 78 -13.900 -3.053 7.679 1.00 1.31 O ATOM 0 H GLY A 78 -12.158 0.502 8.840 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.947 -1.759 9.278 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.559 -1.815 9.964 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.564 -0.971 6.878 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.069 -1.269 5.561 1.00 0.37 C ATOM 1233 C GLY A 79 -13.055 -2.020 4.739 1.00 0.28 C ATOM 1234 O GLY A 79 -11.929 -2.226 5.178 1.00 0.29 O ATOM 0 H GLY A 79 -13.258 -0.006 7.004 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.981 -1.860 5.645 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.336 -0.342 5.054 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.445 -2.446 3.559 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.524 -3.134 2.674 1.00 0.21 C ATOM 1240 C TYR A 80 -12.674 -2.641 1.248 1.00 0.22 C ATOM 1241 O TYR A 80 -13.764 -2.652 0.691 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.740 -4.644 2.748 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.335 -5.232 4.079 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.997 -5.327 4.431 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.286 -5.679 4.987 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.614 -5.849 5.647 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.912 -6.200 6.208 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.576 -6.286 6.534 1.00 0.33 C ATOM 1249 OH TYR A 80 -11.204 -6.809 7.753 1.00 0.38 O ATOM 0 H TYR A 80 -14.388 -2.331 3.188 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.508 -2.914 3.001 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.791 -4.865 2.564 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.169 -5.127 1.955 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.241 -4.985 3.739 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.334 -5.618 4.733 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.567 -5.916 5.904 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.663 -6.539 6.906 1.00 0.37 H new ATOM 0 HH TYR A 80 -12.004 -7.067 8.256 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.577 -2.191 0.671 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.569 -1.705 -0.698 1.00 0.28 C ATOM 1261 C VAL A 81 -10.567 -2.495 -1.526 1.00 0.26 C ATOM 1262 O VAL A 81 -9.505 -2.867 -1.030 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.233 -0.197 -0.758 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.486 0.640 -0.562 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.195 0.166 0.298 1.00 0.30 C ATOM 0 H VAL A 81 -10.669 -2.151 1.134 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.568 -1.844 -1.110 1.00 0.28 H new ATOM 0 HB VAL A 81 -10.819 0.017 -1.744 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.228 1.698 -0.608 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.205 0.408 -1.347 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -12.925 0.415 0.410 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -9.973 1.231 0.239 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.586 -0.069 1.288 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.283 -0.405 0.123 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.917 -2.790 -2.767 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.033 -3.557 -3.631 1.00 0.29 C ATOM 1277 C TRP A 82 -9.054 -2.666 -4.359 1.00 0.28 C ATOM 1278 O TRP A 82 -9.437 -1.844 -5.192 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.825 -4.388 -4.629 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.399 -5.607 -4.007 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.579 -5.703 -3.332 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.802 -6.905 -3.979 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.757 -6.985 -2.881 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.678 -7.743 -3.264 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.609 -7.447 -4.488 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.405 -9.086 -3.041 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.347 -8.784 -4.264 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.238 -9.588 -3.545 1.00 0.52 C ATOM 0 H TRP A 82 -11.800 -2.513 -3.197 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.466 -4.231 -2.989 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.629 -3.782 -5.048 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.177 -4.675 -5.457 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.272 -4.889 -3.176 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.559 -7.321 -2.348 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -8.914 -6.832 -5.041 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.091 -9.712 -2.489 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.437 -9.217 -4.651 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -9.998 -10.629 -3.385 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.786 -2.842 -4.038 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.734 -2.047 -4.656 1.00 0.28 C ATOM 1301 C LEU A 83 -5.611 -2.909 -5.186 1.00 0.29 C ATOM 1302 O LEU A 83 -5.200 -3.871 -4.556 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.149 -1.037 -3.666 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.111 -0.011 -3.073 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.643 -0.498 -1.743 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.413 1.331 -2.908 1.00 0.40 C ATOM 0 H LEU A 83 -7.457 -3.525 -3.356 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.199 -1.520 -5.489 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.696 -1.592 -2.844 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.345 -0.498 -4.167 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.951 0.117 -3.756 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.328 0.244 -1.331 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.172 -1.440 -1.886 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.813 -0.648 -1.052 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.110 2.054 -2.484 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.558 1.217 -2.241 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -6.070 1.685 -3.880 1.00 0.40 H new ATOM 1318 N GLU A 84 -5.111 -2.542 -6.347 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.980 -3.225 -6.927 1.00 0.34 C ATOM 1320 C GLU A 84 -2.735 -2.398 -6.685 1.00 0.35 C ATOM 1321 O GLU A 84 -2.782 -1.175 -6.758 1.00 0.39 O ATOM 1322 CB GLU A 84 -4.200 -3.437 -8.420 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.423 -4.613 -8.967 1.00 0.59 C ATOM 1324 CD GLU A 84 -3.755 -4.907 -10.414 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -4.769 -5.586 -10.669 1.00 0.88 O ATOM 1326 OE2 GLU A 84 -2.999 -4.460 -11.303 1.00 1.23 O ATOM 0 H GLU A 84 -5.474 -1.771 -6.908 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.862 -4.204 -6.462 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -5.263 -3.591 -8.607 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.909 -2.534 -8.957 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.355 -4.412 -8.876 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -3.634 -5.496 -8.363 1.00 0.59 H new ATOM 1333 N THR A 85 -1.630 -3.043 -6.377 1.00 0.36 N ATOM 1334 CA THR A 85 -0.419 -2.315 -6.058 1.00 0.37 C ATOM 1335 C THR A 85 0.732 -2.689 -6.960 1.00 0.32 C ATOM 1336 O THR A 85 1.117 -3.855 -7.079 1.00 0.43 O ATOM 1337 CB THR A 85 -0.024 -2.497 -4.579 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.940 -1.777 -3.751 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.392 -2.014 -4.311 1.00 0.60 C ATOM 0 H THR A 85 -1.544 -4.059 -6.341 1.00 0.36 H new ATOM 0 HA THR A 85 -0.641 -1.262 -6.230 1.00 0.37 H new ATOM 0 HB THR A 85 -0.063 -3.562 -4.348 1.00 0.52 H new ATOM 0 HG1 THR A 85 -0.709 -0.825 -3.759 1.00 0.68 H new ATOM 0 HG21 THR A 85 1.633 -2.159 -3.258 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.092 -2.581 -4.925 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.468 -0.955 -4.558 1.00 0.60 H new ATOM 1347 N GLN A 86 1.247 -1.668 -7.615 1.00 0.29 N ATOM 1348 CA GLN A 86 2.475 -1.772 -8.351 1.00 0.35 C ATOM 1349 C GLN A 86 3.617 -1.455 -7.398 1.00 0.28 C ATOM 1350 O GLN A 86 3.790 -0.306 -6.994 1.00 0.30 O ATOM 1351 CB GLN A 86 2.447 -0.801 -9.531 1.00 0.50 C ATOM 1352 CG GLN A 86 3.522 -1.077 -10.553 1.00 0.70 C ATOM 1353 CD GLN A 86 4.836 -0.388 -10.252 1.00 1.06 C ATOM 1354 OE1 GLN A 86 5.705 -0.946 -9.587 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.988 0.832 -10.736 1.00 1.15 N ATOM 0 H GLN A 86 0.818 -0.743 -7.647 1.00 0.29 H new ATOM 0 HA GLN A 86 2.610 -2.776 -8.754 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.472 -0.855 -10.015 1.00 0.50 H new ATOM 0 HB3 GLN A 86 2.562 0.217 -9.158 1.00 0.50 H new ATOM 0 HG2 GLN A 86 3.690 -2.152 -10.610 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.170 -0.757 -11.534 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.242 1.260 -11.284 1.00 1.15 H new ATOM 0 HE22 GLN A 86 5.852 1.346 -10.562 1.00 1.15 H new ATOM 1364 N GLY A 87 4.370 -2.473 -7.017 1.00 0.27 N ATOM 1365 CA GLY A 87 5.347 -2.303 -5.968 1.00 0.26 C ATOM 1366 C GLY A 87 6.768 -2.280 -6.478 1.00 0.24 C ATOM 1367 O GLY A 87 7.151 -3.074 -7.333 1.00 0.27 O ATOM 0 H GLY A 87 4.322 -3.411 -7.415 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.143 -1.373 -5.437 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.240 -3.112 -5.246 1.00 0.26 H new ATOM 1371 N THR A 88 7.550 -1.395 -5.902 1.00 0.23 N ATOM 1372 CA THR A 88 8.925 -1.164 -6.326 1.00 0.22 C ATOM 1373 C THR A 88 9.798 -0.811 -5.125 1.00 0.25 C ATOM 1374 O THR A 88 9.383 -0.037 -4.259 1.00 0.36 O ATOM 1375 CB THR A 88 9.010 -0.008 -7.353 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.135 -0.252 -8.460 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.431 0.161 -7.873 1.00 0.24 C ATOM 0 H THR A 88 7.254 -0.809 -5.121 1.00 0.23 H new ATOM 0 HA THR A 88 9.280 -2.083 -6.791 1.00 0.22 H new ATOM 0 HB THR A 88 8.707 0.905 -6.841 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.201 0.489 -9.098 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.460 0.980 -8.592 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.099 0.385 -7.041 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.753 -0.760 -8.359 1.00 0.24 H new ATOM 1385 N VAL A 89 10.993 -1.381 -5.058 1.00 0.28 N ATOM 1386 CA VAL A 89 11.950 -0.978 -4.036 1.00 0.31 C ATOM 1387 C VAL A 89 12.954 -0.006 -4.612 1.00 0.30 C ATOM 1388 O VAL A 89 13.761 -0.358 -5.473 1.00 0.34 O ATOM 1389 CB VAL A 89 12.707 -2.169 -3.403 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.855 -1.679 -2.530 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.772 -3.020 -2.576 1.00 0.56 C ATOM 0 H VAL A 89 11.320 -2.113 -5.689 1.00 0.28 H new ATOM 0 HA VAL A 89 11.367 -0.504 -3.246 1.00 0.31 H new ATOM 0 HB VAL A 89 13.112 -2.772 -4.215 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.373 -2.534 -2.096 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.553 -1.102 -3.137 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.462 -1.049 -1.732 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.326 -3.852 -2.141 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.339 -2.416 -1.779 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.975 -3.408 -3.211 1.00 0.56 H new ATOM 1401 N ILE A 90 12.870 1.227 -4.157 1.00 0.27 N ATOM 1402 CA ILE A 90 13.858 2.209 -4.500 1.00 0.30 C ATOM 1403 C ILE A 90 15.000 2.108 -3.500 1.00 0.34 C ATOM 1404 O ILE A 90 14.841 2.375 -2.309 1.00 0.41 O ATOM 1405 CB ILE A 90 13.253 3.634 -4.570 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.223 4.604 -5.233 1.00 0.71 C ATOM 1407 CG2 ILE A 90 12.858 4.157 -3.208 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.595 5.938 -5.554 1.00 0.78 C ATOM 0 H ILE A 90 12.124 1.566 -3.549 1.00 0.27 H new ATOM 0 HA ILE A 90 14.244 2.011 -5.500 1.00 0.30 H new ATOM 0 HB ILE A 90 12.349 3.559 -5.174 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.078 4.760 -4.576 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.604 4.157 -6.151 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.440 5.158 -3.310 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.113 3.495 -2.766 1.00 0.73 H new ATOM 0 HG23 ILE A 90 13.737 4.195 -2.564 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.335 6.585 -6.024 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.757 5.791 -6.235 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.239 6.403 -4.635 1.00 0.78 H new ATOM 1420 N TYR A 91 16.121 1.605 -3.965 1.00 0.36 N ATOM 1421 CA TYR A 91 17.264 1.413 -3.098 1.00 0.42 C ATOM 1422 C TYR A 91 18.078 2.682 -2.977 1.00 0.48 C ATOM 1423 O TYR A 91 18.036 3.550 -3.849 1.00 0.58 O ATOM 1424 CB TYR A 91 18.188 0.313 -3.592 1.00 0.51 C ATOM 1425 CG TYR A 91 17.552 -1.044 -3.796 1.00 0.43 C ATOM 1426 CD1 TYR A 91 16.930 -1.370 -4.994 1.00 0.45 C ATOM 1427 CD2 TYR A 91 17.607 -2.012 -2.800 1.00 0.55 C ATOM 1428 CE1 TYR A 91 16.374 -2.618 -5.190 1.00 0.61 C ATOM 1429 CE2 TYR A 91 17.061 -3.264 -2.994 1.00 0.76 C ATOM 1430 CZ TYR A 91 16.444 -3.562 -4.190 1.00 0.79 C ATOM 1431 OH TYR A 91 15.905 -4.811 -4.395 1.00 1.06 O ATOM 0 H TYR A 91 16.267 1.322 -4.934 1.00 0.36 H new ATOM 0 HA TYR A 91 16.854 1.129 -2.129 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.628 0.632 -4.537 1.00 0.51 H new ATOM 0 HB3 TYR A 91 19.006 0.206 -2.880 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.881 -0.636 -5.784 1.00 0.45 H new ATOM 0 HD2 TYR A 91 18.085 -1.780 -1.859 1.00 0.55 H new ATOM 0 HE1 TYR A 91 15.886 -2.853 -6.124 1.00 0.61 H new ATOM 0 HE2 TYR A 91 17.117 -4.007 -2.212 1.00 0.76 H new ATOM 0 HH TYR A 91 16.038 -5.360 -3.594 1.00 1.06 H new ATOM 1441 N ASN A 92 18.801 2.786 -1.878 1.00 0.57 N ATOM 1442 CA ASN A 92 19.782 3.844 -1.717 1.00 0.71 C ATOM 1443 C ASN A 92 20.875 3.639 -2.752 1.00 0.69 C ATOM 1444 O ASN A 92 21.420 2.555 -2.858 1.00 0.63 O ATOM 1445 CB ASN A 92 20.393 3.794 -0.314 1.00 0.83 C ATOM 1446 CG ASN A 92 21.098 5.085 0.067 1.00 1.09 C ATOM 1447 OD1 ASN A 92 21.777 5.706 -0.750 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.929 5.504 1.307 1.00 1.50 N ATOM 0 H ASN A 92 18.728 2.151 -1.083 1.00 0.57 H new ATOM 0 HA ASN A 92 19.303 4.814 -1.851 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.607 3.586 0.412 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.103 2.968 -0.261 1.00 0.83 H new ATOM 0 HD21 ASN A 92 21.369 6.371 1.617 1.00 1.50 H new ATOM 0 HD22 ASN A 92 20.359 4.961 1.955 1.00 1.50 H new ATOM 1455 N PRO A 93 21.204 4.642 -3.553 1.00 0.84 N ATOM 1456 CA PRO A 93 22.265 4.491 -4.541 1.00 0.91 C ATOM 1457 C PRO A 93 23.646 4.452 -3.901 1.00 0.96 C ATOM 1458 O PRO A 93 24.585 3.881 -4.455 1.00 1.00 O ATOM 1459 CB PRO A 93 22.103 5.724 -5.418 1.00 1.13 C ATOM 1460 CG PRO A 93 21.452 6.739 -4.542 1.00 1.23 C ATOM 1461 CD PRO A 93 20.568 5.970 -3.600 1.00 1.00 C ATOM 0 HA PRO A 93 22.188 3.554 -5.092 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.067 6.078 -5.783 1.00 1.13 H new ATOM 0 HB3 PRO A 93 21.491 5.508 -6.294 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.197 7.316 -3.994 1.00 1.23 H new ATOM 0 HG3 PRO A 93 20.870 7.447 -5.132 1.00 1.23 H new ATOM 0 HD2 PRO A 93 20.530 6.434 -2.614 1.00 1.00 H new ATOM 0 HD3 PRO A 93 19.543 5.913 -3.965 1.00 1.00 H new ATOM 1469 N ARG A 94 23.764 5.071 -2.739 1.00 1.03 N ATOM 1470 CA ARG A 94 25.029 5.117 -2.027 1.00 1.13 C ATOM 1471 C ARG A 94 25.145 3.966 -1.027 1.00 1.04 C ATOM 1472 O ARG A 94 26.191 3.331 -0.910 1.00 1.16 O ATOM 1473 CB ARG A 94 25.173 6.461 -1.312 1.00 1.37 C ATOM 1474 CG ARG A 94 24.954 7.655 -2.231 1.00 1.93 C ATOM 1475 CD ARG A 94 25.316 8.963 -1.548 1.00 2.43 C ATOM 1476 NE ARG A 94 26.745 9.044 -1.251 1.00 3.09 N ATOM 1477 CZ ARG A 94 27.315 10.062 -0.606 1.00 3.87 C ATOM 1478 NH1 ARG A 94 26.581 11.093 -0.201 1.00 4.14 N ATOM 1479 NH2 ARG A 94 28.622 10.053 -0.376 1.00 4.77 N ATOM 0 H ARG A 94 22.997 5.550 -2.268 1.00 1.03 H new ATOM 0 HA ARG A 94 25.835 5.008 -2.753 1.00 1.13 H new ATOM 0 HB2 ARG A 94 24.458 6.507 -0.491 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.168 6.527 -0.872 1.00 1.37 H new ATOM 0 HG2 ARG A 94 25.556 7.536 -3.132 1.00 1.93 H new ATOM 0 HG3 ARG A 94 23.911 7.685 -2.546 1.00 1.93 H new ATOM 0 HD2 ARG A 94 25.030 9.798 -2.187 1.00 2.43 H new ATOM 0 HD3 ARG A 94 24.747 9.060 -0.624 1.00 2.43 H new ATOM 0 HE ARG A 94 27.342 8.275 -1.556 1.00 3.09 H new ATOM 0 HH11 ARG A 94 25.578 11.108 -0.383 1.00 4.14 H new ATOM 0 HH12 ARG A 94 27.021 11.870 0.292 1.00 4.14 H new ATOM 0 HH21 ARG A 94 29.190 9.267 -0.693 1.00 4.77 H new ATOM 0 HH22 ARG A 94 29.058 10.832 0.117 1.00 4.77 H new ATOM 1493 N ASN A 95 24.060 3.714 -0.308 1.00 0.99 N ATOM 1494 CA ASN A 95 24.066 2.723 0.781 1.00 1.00 C ATOM 1495 C ASN A 95 23.381 1.430 0.370 1.00 0.85 C ATOM 1496 O ASN A 95 23.503 0.412 1.053 1.00 0.92 O ATOM 1497 CB ASN A 95 23.385 3.287 2.032 1.00 1.15 C ATOM 1498 CG ASN A 95 24.121 4.479 2.609 1.00 1.58 C ATOM 1499 OD1 ASN A 95 23.896 5.615 2.196 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.993 4.237 3.574 1.00 1.99 N ATOM 0 H ASN A 95 23.162 4.176 -0.452 1.00 0.99 H new ATOM 0 HA ASN A 95 25.110 2.502 1.005 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.365 3.580 1.785 1.00 1.15 H new ATOM 0 HB3 ASN A 95 23.318 2.505 2.788 1.00 1.15 H new ATOM 0 HD21 ASN A 95 25.506 5.007 4.003 1.00 1.99 H new ATOM 0 HD22 ASN A 95 25.152 3.280 3.889 1.00 1.99 H new ATOM 1507 N LEU A 96 22.661 1.490 -0.741 1.00 0.72 N ATOM 1508 CA LEU A 96 22.008 0.320 -1.338 1.00 0.63 C ATOM 1509 C LEU A 96 21.041 -0.386 -0.394 1.00 0.64 C ATOM 1510 O LEU A 96 20.624 -1.516 -0.651 1.00 0.67 O ATOM 1511 CB LEU A 96 23.059 -0.655 -1.843 1.00 0.74 C ATOM 1512 CG LEU A 96 23.733 -0.286 -3.167 1.00 0.86 C ATOM 1513 CD1 LEU A 96 22.723 -0.307 -4.301 1.00 1.22 C ATOM 1514 CD2 LEU A 96 24.414 1.068 -3.088 1.00 1.76 C ATOM 0 H LEU A 96 22.509 2.354 -1.261 1.00 0.72 H new ATOM 0 HA LEU A 96 21.406 0.688 -2.169 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.831 -0.754 -1.080 1.00 0.74 H new ATOM 0 HB3 LEU A 96 22.594 -1.634 -1.955 1.00 0.74 H new ATOM 0 HG LEU A 96 24.502 -1.032 -3.366 1.00 0.86 H new ATOM 0 HD11 LEU A 96 23.219 -0.042 -5.235 1.00 1.22 H new ATOM 0 HD12 LEU A 96 22.294 -1.305 -4.388 1.00 1.22 H new ATOM 0 HD13 LEU A 96 21.930 0.412 -4.095 1.00 1.22 H new ATOM 0 HD21 LEU A 96 24.881 1.297 -4.046 1.00 1.76 H new ATOM 0 HD22 LEU A 96 23.675 1.834 -2.853 1.00 1.76 H new ATOM 0 HD23 LEU A 96 25.175 1.047 -2.308 1.00 1.76 H new ATOM 1526 N GLN A 97 20.678 0.274 0.690 1.00 0.71 N ATOM 1527 CA GLN A 97 19.639 -0.235 1.560 1.00 0.76 C ATOM 1528 C GLN A 97 18.291 0.035 0.923 1.00 0.64 C ATOM 1529 O GLN A 97 18.184 0.925 0.077 1.00 0.61 O ATOM 1530 CB GLN A 97 19.718 0.429 2.937 1.00 0.94 C ATOM 1531 CG GLN A 97 20.891 -0.048 3.773 1.00 1.21 C ATOM 1532 CD GLN A 97 20.824 -1.538 4.046 1.00 2.02 C ATOM 1533 OE1 GLN A 97 20.231 -1.974 5.033 1.00 2.29 O ATOM 1534 NE2 GLN A 97 21.430 -2.328 3.176 1.00 2.81 N ATOM 0 H GLN A 97 21.087 1.160 0.987 1.00 0.71 H new ATOM 0 HA GLN A 97 19.773 -1.308 1.696 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.790 1.509 2.807 1.00 0.94 H new ATOM 0 HB3 GLN A 97 18.793 0.234 3.479 1.00 0.94 H new ATOM 0 HG2 GLN A 97 21.823 0.185 3.257 1.00 1.21 H new ATOM 0 HG3 GLN A 97 20.906 0.494 4.719 1.00 1.21 H new ATOM 0 HE21 GLN A 97 21.910 -1.926 2.371 1.00 2.81 H new ATOM 0 HE22 GLN A 97 21.417 -3.339 3.310 1.00 2.81 H new ATOM 1543 N PRO A 98 17.258 -0.742 1.273 1.00 0.62 N ATOM 1544 CA PRO A 98 15.898 -0.441 0.852 1.00 0.55 C ATOM 1545 C PRO A 98 15.513 0.955 1.312 1.00 0.55 C ATOM 1546 O PRO A 98 15.109 1.163 2.458 1.00 0.62 O ATOM 1547 CB PRO A 98 15.037 -1.512 1.535 1.00 0.60 C ATOM 1548 CG PRO A 98 15.915 -2.133 2.571 1.00 0.62 C ATOM 1549 CD PRO A 98 17.329 -1.966 2.086 1.00 0.72 C ATOM 0 HA PRO A 98 15.773 -0.456 -0.231 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.149 -1.071 1.987 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.693 -2.255 0.816 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.777 -1.649 3.538 1.00 0.62 H new ATOM 0 HG3 PRO A 98 15.672 -3.187 2.704 1.00 0.62 H new ATOM 0 HD2 PRO A 98 18.030 -1.860 2.914 1.00 0.72 H new ATOM 0 HD3 PRO A 98 17.658 -2.823 1.498 1.00 0.72 H new ATOM 1557 N GLN A 99 15.682 1.913 0.416 1.00 0.51 N ATOM 1558 CA GLN A 99 15.527 3.309 0.753 1.00 0.54 C ATOM 1559 C GLN A 99 14.064 3.611 0.969 1.00 0.50 C ATOM 1560 O GLN A 99 13.678 4.207 1.978 1.00 0.57 O ATOM 1561 CB GLN A 99 16.122 4.181 -0.361 1.00 0.56 C ATOM 1562 CG GLN A 99 15.458 5.535 -0.537 1.00 0.72 C ATOM 1563 CD GLN A 99 15.836 6.553 0.531 1.00 0.97 C ATOM 1564 OE1 GLN A 99 15.891 7.754 0.261 1.00 1.73 O ATOM 1565 NE2 GLN A 99 16.084 6.094 1.750 1.00 1.32 N ATOM 0 H GLN A 99 15.929 1.742 -0.559 1.00 0.51 H new ATOM 0 HA GLN A 99 16.063 3.533 1.675 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.181 4.336 -0.154 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.057 3.636 -1.303 1.00 0.56 H new ATOM 0 HG2 GLN A 99 15.724 5.934 -1.516 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.376 5.401 -0.531 1.00 0.72 H new ATOM 0 HE21 GLN A 99 16.029 5.093 1.939 1.00 1.32 H new ATOM 0 HE22 GLN A 99 16.329 6.742 2.499 1.00 1.32 H new ATOM 1574 N CYS A 100 13.254 3.148 0.043 1.00 0.43 N ATOM 1575 CA CYS A 100 11.837 3.397 0.086 1.00 0.41 C ATOM 1576 C CYS A 100 11.115 2.389 -0.785 1.00 0.35 C ATOM 1577 O CYS A 100 11.708 1.735 -1.640 1.00 0.39 O ATOM 1578 CB CYS A 100 11.509 4.825 -0.382 1.00 0.45 C ATOM 1579 SG CYS A 100 11.924 6.129 0.800 1.00 0.64 S ATOM 0 H CYS A 100 13.560 2.592 -0.755 1.00 0.43 H new ATOM 0 HA CYS A 100 11.502 3.295 1.118 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.041 5.017 -1.314 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.444 4.883 -0.605 1.00 0.45 H new ATOM 0 HG CYS A 100 12.798 5.681 1.652 1.00 0.64 H new ATOM 1585 N ILE A 101 9.843 2.265 -0.539 1.00 0.29 N ATOM 1586 CA ILE A 101 8.973 1.435 -1.328 1.00 0.27 C ATOM 1587 C ILE A 101 8.053 2.350 -2.111 1.00 0.23 C ATOM 1588 O ILE A 101 7.398 3.195 -1.522 1.00 0.28 O ATOM 1589 CB ILE A 101 8.091 0.541 -0.437 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.876 -0.067 0.736 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.435 -0.548 -1.270 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.948 -1.052 0.339 1.00 0.73 C ATOM 0 H ILE A 101 9.371 2.745 0.228 1.00 0.29 H new ATOM 0 HA ILE A 101 9.581 0.801 -1.973 1.00 0.27 H new ATOM 0 HB ILE A 101 7.315 1.173 -0.005 1.00 0.35 H new ATOM 0 HG12 ILE A 101 9.337 0.741 1.303 1.00 0.66 H new ATOM 0 HG13 ILE A 101 8.174 -0.566 1.405 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.814 -1.173 -0.628 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.815 -0.092 -2.042 1.00 0.37 H new ATOM 0 HG23 ILE A 101 8.205 -1.161 -1.739 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.447 -1.427 1.233 1.00 0.73 H new ATOM 0 HD12 ILE A 101 9.496 -1.884 -0.200 1.00 0.73 H new ATOM 0 HD13 ILE A 101 10.677 -0.557 -0.303 1.00 0.73 H new ATOM 1604 N MET A 102 7.992 2.202 -3.410 1.00 0.22 N ATOM 1605 CA MET A 102 7.084 3.015 -4.195 1.00 0.23 C ATOM 1606 C MET A 102 5.947 2.153 -4.690 1.00 0.22 C ATOM 1607 O MET A 102 6.163 1.183 -5.418 1.00 0.24 O ATOM 1608 CB MET A 102 7.801 3.690 -5.359 1.00 0.30 C ATOM 1609 CG MET A 102 8.878 4.668 -4.918 1.00 0.69 C ATOM 1610 SD MET A 102 8.763 6.261 -5.757 1.00 1.47 S ATOM 1611 CE MET A 102 8.459 5.729 -7.441 1.00 1.81 C ATOM 0 H MET A 102 8.550 1.537 -3.945 1.00 0.22 H new ATOM 0 HA MET A 102 6.688 3.809 -3.562 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.252 2.925 -5.991 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.069 4.218 -5.970 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.803 4.823 -3.842 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.859 4.232 -5.109 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.843 6.478 -8.134 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.962 4.778 -7.619 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.387 5.607 -7.596 1.00 1.81 H new ATOM 1621 N CYS A 103 4.746 2.472 -4.247 1.00 0.25 N ATOM 1622 CA CYS A 103 3.581 1.675 -4.590 1.00 0.26 C ATOM 1623 C CYS A 103 2.535 2.502 -5.325 1.00 0.27 C ATOM 1624 O CYS A 103 1.996 3.472 -4.785 1.00 0.32 O ATOM 1625 CB CYS A 103 2.968 1.085 -3.320 1.00 0.31 C ATOM 1626 SG CYS A 103 4.084 0.017 -2.378 1.00 0.39 S ATOM 0 H CYS A 103 4.550 3.276 -3.650 1.00 0.25 H new ATOM 0 HA CYS A 103 3.906 0.873 -5.253 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.637 1.901 -2.678 1.00 0.31 H new ATOM 0 HB3 CYS A 103 2.080 0.513 -3.591 1.00 0.31 H new ATOM 0 HG CYS A 103 3.470 -0.429 -1.322 1.00 0.39 H new ATOM 1632 N VAL A 104 2.260 2.119 -6.559 1.00 0.27 N ATOM 1633 CA VAL A 104 1.173 2.718 -7.310 1.00 0.28 C ATOM 1634 C VAL A 104 -0.101 1.931 -7.028 1.00 0.29 C ATOM 1635 O VAL A 104 -0.187 0.749 -7.359 1.00 0.29 O ATOM 1636 CB VAL A 104 1.455 2.713 -8.826 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.433 3.560 -9.570 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.867 3.196 -9.115 1.00 0.34 C ATOM 0 H VAL A 104 2.775 1.396 -7.062 1.00 0.27 H new ATOM 0 HA VAL A 104 1.066 3.757 -6.998 1.00 0.28 H new ATOM 0 HB VAL A 104 1.368 1.686 -9.182 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.653 3.541 -10.637 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.566 3.159 -9.398 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.479 4.587 -9.208 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.043 3.184 -10.191 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.988 4.212 -8.739 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.584 2.539 -8.623 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.077 2.577 -6.408 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.281 1.884 -5.971 1.00 0.30 C ATOM 1650 C ASN A 105 -3.452 2.190 -6.879 1.00 0.27 C ATOM 1651 O ASN A 105 -3.717 3.349 -7.202 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.637 2.262 -4.538 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.548 1.899 -3.558 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -0.820 0.921 -3.740 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -1.424 2.689 -2.513 1.00 0.63 N ATOM 0 H ASN A 105 -1.060 3.575 -6.197 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.072 0.815 -6.017 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.827 3.334 -4.485 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.561 1.760 -4.252 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.704 2.502 -1.815 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -2.048 3.488 -2.401 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.173 1.144 -7.236 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.278 1.239 -8.168 1.00 0.24 C ATOM 1664 C TYR A 106 -6.554 0.786 -7.481 1.00 0.25 C ATOM 1665 O TYR A 106 -6.747 -0.412 -7.263 1.00 0.26 O ATOM 1666 CB TYR A 106 -5.041 0.349 -9.394 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.775 0.642 -10.171 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.555 0.125 -9.762 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -3.799 1.453 -11.298 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.392 0.410 -10.453 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.643 1.739 -11.997 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.459 1.142 -11.627 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.283 1.505 -12.260 1.00 0.48 O ATOM 0 H TYR A 106 -4.007 0.201 -6.885 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.362 2.276 -8.493 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -5.015 -0.691 -9.068 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.892 0.451 -10.067 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.513 -0.510 -8.890 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -4.738 1.867 -11.634 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.439 0.065 -10.080 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -2.668 2.427 -12.829 1.00 0.40 H new ATOM 0 HH TYR A 106 -0.492 2.014 -13.071 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.399 1.730 -7.112 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.697 1.383 -6.554 1.00 0.28 C ATOM 1685 C VAL A 107 -9.554 0.775 -7.661 1.00 0.33 C ATOM 1686 O VAL A 107 -10.058 1.482 -8.536 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.425 2.595 -5.936 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.781 2.182 -5.377 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.574 3.225 -4.849 1.00 0.62 C ATOM 0 H VAL A 107 -7.216 2.731 -7.186 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.536 0.669 -5.746 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.589 3.333 -6.721 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.277 3.052 -4.946 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.396 1.774 -6.179 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.641 1.425 -4.605 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -9.101 4.079 -4.423 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.381 2.491 -4.067 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.628 3.559 -5.275 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.672 -0.542 -7.632 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.334 -1.282 -8.692 1.00 0.39 C ATOM 1701 C LEU A 108 -11.804 -1.486 -8.381 1.00 0.44 C ATOM 1702 O LEU A 108 -12.658 -1.382 -9.263 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.641 -2.627 -8.883 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.228 -2.542 -9.458 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.504 -3.849 -9.265 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.281 -2.208 -10.933 1.00 0.48 C ATOM 0 H LEU A 108 -9.313 -1.126 -6.876 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.267 -0.705 -9.614 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -9.597 -3.137 -7.921 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.251 -3.244 -9.543 1.00 0.44 H new ATOM 0 HG LEU A 108 -7.690 -1.754 -8.931 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.499 -3.773 -9.680 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.441 -4.076 -8.201 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.047 -4.645 -9.775 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.267 -2.151 -11.330 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.834 -2.984 -11.462 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.780 -1.249 -11.071 1.00 0.48 H new ATOM 1718 N SER A 109 -12.101 -1.785 -7.131 1.00 0.44 N ATOM 1719 CA SER A 109 -13.470 -1.934 -6.698 1.00 0.54 C ATOM 1720 C SER A 109 -13.695 -1.046 -5.486 1.00 0.64 C ATOM 1721 O SER A 109 -12.746 -0.722 -4.766 1.00 0.93 O ATOM 1722 CB SER A 109 -13.766 -3.401 -6.367 1.00 0.64 C ATOM 1723 OG SER A 109 -15.143 -3.606 -6.101 1.00 1.46 O ATOM 0 H SER A 109 -11.407 -1.929 -6.398 1.00 0.44 H new ATOM 0 HA SER A 109 -14.149 -1.633 -7.496 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.457 -4.032 -7.200 1.00 0.64 H new ATOM 0 HB3 SER A 109 -13.178 -3.706 -5.501 1.00 0.64 H new ATOM 0 HG SER A 109 -15.299 -4.551 -5.895 1.00 1.46 H new ATOM 1729 N GLU A 110 -14.937 -0.652 -5.263 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.256 0.258 -4.178 1.00 0.74 C ATOM 1731 C GLU A 110 -15.380 -0.489 -2.856 1.00 0.59 C ATOM 1732 O GLU A 110 -14.972 -1.648 -2.742 1.00 0.55 O ATOM 1733 CB GLU A 110 -16.547 1.016 -4.489 1.00 1.07 C ATOM 1734 CG GLU A 110 -17.710 0.116 -4.865 1.00 1.46 C ATOM 1735 CD GLU A 110 -18.997 0.886 -5.036 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -19.152 1.559 -6.074 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -19.861 0.822 -4.138 1.00 2.94 O ATOM 0 H GLU A 110 -15.740 -0.948 -5.818 1.00 0.62 H new ATOM 0 HA GLU A 110 -14.441 0.975 -4.082 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -16.826 1.611 -3.620 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -16.360 1.713 -5.306 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.476 -0.408 -5.792 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -17.843 -0.643 -4.094 1.00 1.46 H new ATOM 1744 N ILE A 111 -15.939 0.184 -1.860 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.001 -0.353 -0.513 1.00 0.59 C ATOM 1746 C ILE A 111 -16.882 -1.586 -0.442 1.00 0.58 C ATOM 1747 O ILE A 111 -18.088 -1.534 -0.690 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.500 0.701 0.499 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -15.772 2.032 0.282 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.280 0.206 1.921 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.226 3.144 1.209 1.00 0.89 C ATOM 0 H ILE A 111 -16.358 1.108 -1.963 1.00 0.66 H new ATOM 0 HA ILE A 111 -14.983 -0.637 -0.246 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.567 0.859 0.343 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -14.702 1.875 0.417 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -15.920 2.351 -0.750 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -16.635 0.957 2.627 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -16.830 -0.723 2.072 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.217 0.029 2.084 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -15.663 4.052 0.992 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.289 3.332 1.059 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.053 2.849 2.244 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.247 -2.694 -0.114 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.922 -3.951 0.085 1.00 0.61 C ATOM 1765 C GLU A 112 -17.028 -4.198 1.579 1.00 0.64 C ATOM 1766 O GLU A 112 -16.105 -4.728 2.202 1.00 0.73 O ATOM 1767 CB GLU A 112 -16.143 -5.084 -0.575 1.00 0.68 C ATOM 1768 CG GLU A 112 -17.004 -6.279 -0.910 1.00 1.14 C ATOM 1769 CD GLU A 112 -16.193 -7.505 -1.280 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.665 -7.549 -2.415 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -16.067 -8.425 -0.443 1.00 1.56 O ATOM 0 H GLU A 112 -15.237 -2.742 0.022 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.914 -3.915 -0.366 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.677 -4.713 -1.487 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -15.338 -5.399 0.089 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -17.639 -6.514 -0.056 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.665 -6.023 -1.738 1.00 1.14 H new