USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 546 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 46 THR OG1 : rot -70:sc= 0.342 USER MOD Set 1.2: A 48 GLN : amide:sc= -2.97! C(o=-2.6!,f=-3.5!) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-4.8!) USER MOD Set 3.1: A 5 TYR OH : rot 180:sc= -0.136 USER MOD Set 3.2: A 61 HIS : no HE2:sc= -7.09! C(o=-7.2!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0417 (180deg=-0.373) USER MOD Single : A 3 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-4.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.5) USER MOD Single : A 10 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.89) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 23 TYR OH : rot 130:sc= -1.33 USER MOD Single : A 25 ASN : amide:sc= -1.91! C(o=-1.9!,f=-4.7!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 38 CYS SG : rot 140:sc= -0.2 USER MOD Single : A 39 ASN : amide:sc= -0.578 K(o=-0.58,f=-3.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -50:sc= 0.15 USER MOD Single : A 45 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.18) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -170:sc= -1.9 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 92:sc= -0.43 USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= -0.0553 (180deg=-0.478) USER MOD Single : A 70 SER OG : rot 157:sc= 0.21 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.151 -0.724 -3.466 1.00 0.00 N ATOM 2 CA MET A 1 14.284 -0.089 -2.435 1.00 0.00 C ATOM 3 C MET A 1 12.837 -0.512 -2.662 1.00 0.00 C ATOM 4 O MET A 1 12.232 -0.166 -3.677 1.00 0.00 O ATOM 5 CB MET A 1 14.403 1.432 -2.538 1.00 0.00 C ATOM 6 CG MET A 1 15.811 1.865 -2.126 1.00 0.00 C ATOM 7 SD MET A 1 15.951 3.665 -2.252 1.00 0.00 S ATOM 8 CE MET A 1 17.744 3.768 -2.027 1.00 0.00 C ATOM 0 H1 MET A 1 16.142 -0.697 -3.151 1.00 0.00 H new ATOM 0 H2 MET A 1 14.858 -1.712 -3.605 1.00 0.00 H new ATOM 0 H3 MET A 1 15.059 -0.207 -4.363 1.00 0.00 H new ATOM 0 HA MET A 1 14.600 -0.407 -1.442 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.196 1.755 -3.558 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.662 1.909 -1.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.017 1.544 -1.105 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.552 1.386 -2.766 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.057 4.811 -2.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.014 3.348 -1.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.243 3.207 -2.817 1.00 0.00 H new ATOM 20 N ASP A 2 12.285 -1.263 -1.711 1.00 0.00 N ATOM 21 CA ASP A 2 10.905 -1.731 -1.814 1.00 0.00 C ATOM 22 C ASP A 2 9.949 -0.710 -1.207 1.00 0.00 C ATOM 23 O ASP A 2 9.922 -0.517 0.008 1.00 0.00 O ATOM 24 CB ASP A 2 10.750 -3.069 -1.087 1.00 0.00 C ATOM 25 CG ASP A 2 11.419 -4.180 -1.890 1.00 0.00 C ATOM 26 OD1 ASP A 2 11.745 -3.941 -3.041 1.00 0.00 O ATOM 27 OD2 ASP A 2 11.591 -5.258 -1.344 1.00 0.00 O1- ATOM 0 H ASP A 2 12.770 -1.559 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 2 10.663 -1.860 -2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.197 -3.007 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.693 -3.296 -0.947 1.00 0.00 H new ATOM 32 N HIS A 3 9.167 -0.061 -2.062 1.00 0.00 N ATOM 33 CA HIS A 3 8.215 0.941 -1.600 1.00 0.00 C ATOM 34 C HIS A 3 7.012 0.276 -0.938 1.00 0.00 C ATOM 35 O HIS A 3 5.908 0.296 -1.481 1.00 0.00 O ATOM 36 CB HIS A 3 7.739 1.789 -2.781 1.00 0.00 C ATOM 37 CG HIS A 3 6.936 2.954 -2.270 1.00 0.00 C ATOM 38 ND1 HIS A 3 7.482 3.918 -1.440 1.00 0.00 N ATOM 39 CD2 HIS A 3 5.627 3.325 -2.467 1.00 0.00 C ATOM 40 CE1 HIS A 3 6.517 4.815 -1.168 1.00 0.00 C ATOM 41 NE2 HIS A 3 5.366 4.500 -1.770 1.00 0.00 N ATOM 0 H HIS A 3 9.173 -0.209 -3.071 1.00 0.00 H new ATOM 0 HA HIS A 3 8.714 1.577 -0.868 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.595 2.147 -3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.133 1.184 -3.456 1.00 0.00 H new ATOM 0 HD1 HIS A 3 8.442 3.944 -1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.911 2.787 -3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.655 5.683 -0.540 1.00 0.00 H new ATOM 49 N VAL A 4 7.230 -0.315 0.238 1.00 0.00 N ATOM 50 CA VAL A 4 6.163 -0.984 0.970 1.00 0.00 C ATOM 51 C VAL A 4 5.696 -0.134 2.146 1.00 0.00 C ATOM 52 O VAL A 4 4.651 -0.400 2.740 1.00 0.00 O ATOM 53 CB VAL A 4 6.679 -2.317 1.494 1.00 0.00 C ATOM 54 CG1 VAL A 4 6.944 -3.260 0.319 1.00 0.00 C ATOM 55 CG2 VAL A 4 7.977 -2.100 2.286 1.00 0.00 C ATOM 0 H VAL A 4 8.138 -0.342 0.701 1.00 0.00 H new ATOM 0 HA VAL A 4 5.321 -1.139 0.295 1.00 0.00 H new ATOM 0 HB VAL A 4 5.930 -2.758 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.313 -4.214 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.019 -3.421 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.689 -2.817 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.341 -3.058 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.730 -1.654 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.783 -1.434 3.127 1.00 0.00 H new ATOM 65 N TYR A 5 6.481 0.881 2.485 1.00 0.00 N ATOM 66 CA TYR A 5 6.144 1.752 3.606 1.00 0.00 C ATOM 67 C TYR A 5 4.780 2.401 3.394 1.00 0.00 C ATOM 68 O TYR A 5 3.953 2.440 4.303 1.00 0.00 O ATOM 69 CB TYR A 5 7.205 2.842 3.747 1.00 0.00 C ATOM 70 CG TYR A 5 8.576 2.243 3.569 1.00 0.00 C ATOM 71 CD1 TYR A 5 9.093 2.040 2.288 1.00 0.00 C ATOM 72 CD2 TYR A 5 9.329 1.895 4.690 1.00 0.00 C ATOM 73 CE1 TYR A 5 10.368 1.488 2.129 1.00 0.00 C ATOM 74 CE2 TYR A 5 10.603 1.344 4.537 1.00 0.00 C ATOM 75 CZ TYR A 5 11.125 1.137 3.254 1.00 0.00 C ATOM 76 OH TYR A 5 12.383 0.590 3.097 1.00 0.00 O ATOM 0 H TYR A 5 7.348 1.121 2.005 1.00 0.00 H new ATOM 0 HA TYR A 5 6.109 1.149 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.039 3.622 3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.128 3.313 4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.509 2.309 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.926 2.052 5.679 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.769 1.332 1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.185 1.078 5.407 1.00 0.00 H new ATOM 0 HH TYR A 5 12.772 0.406 3.977 1.00 0.00 H new ATOM 86 N LYS A 6 4.549 2.908 2.188 1.00 0.00 N ATOM 87 CA LYS A 6 3.278 3.549 1.875 1.00 0.00 C ATOM 88 C LYS A 6 2.129 2.566 2.070 1.00 0.00 C ATOM 89 O LYS A 6 1.080 2.917 2.609 1.00 0.00 O ATOM 90 CB LYS A 6 3.288 4.051 0.431 1.00 0.00 C ATOM 91 CG LYS A 6 1.999 4.825 0.145 1.00 0.00 C ATOM 92 CD LYS A 6 2.032 5.362 -1.287 1.00 0.00 C ATOM 93 CE LYS A 6 0.750 6.150 -1.563 1.00 0.00 C ATOM 94 NZ LYS A 6 0.791 6.694 -2.949 1.00 0.00 N1+ ATOM 0 H LYS A 6 5.218 2.888 1.418 1.00 0.00 H new ATOM 0 HA LYS A 6 3.138 4.395 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.153 4.693 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.378 3.210 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.135 4.175 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.893 5.649 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.903 6.002 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.125 4.538 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.120 5.505 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.648 6.963 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.080 7.230 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.613 7.323 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.869 5.910 -3.628 1.00 0.00 H new ATOM 108 N GLY A 7 2.338 1.331 1.629 1.00 0.00 N ATOM 109 CA GLY A 7 1.319 0.300 1.761 1.00 0.00 C ATOM 110 C GLY A 7 1.063 -0.030 3.229 1.00 0.00 C ATOM 111 O GLY A 7 -0.057 -0.367 3.614 1.00 0.00 O ATOM 0 H GLY A 7 3.200 1.021 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.394 0.636 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.635 -0.599 1.232 1.00 0.00 H new ATOM 115 N GLN A 8 2.108 0.070 4.045 1.00 0.00 N ATOM 116 CA GLN A 8 1.988 -0.224 5.470 1.00 0.00 C ATOM 117 C GLN A 8 1.303 0.917 6.211 1.00 0.00 C ATOM 118 O GLN A 8 0.392 0.698 7.010 1.00 0.00 O ATOM 119 CB GLN A 8 3.378 -0.457 6.068 1.00 0.00 C ATOM 120 CG GLN A 8 3.955 -1.761 5.513 1.00 0.00 C ATOM 121 CD GLN A 8 3.234 -2.956 6.129 1.00 0.00 C ATOM 122 OE1 GLN A 8 2.151 -3.331 5.682 1.00 0.00 O ATOM 123 NE2 GLN A 8 3.778 -3.581 7.136 1.00 0.00 N ATOM 0 H GLN A 8 3.042 0.351 3.747 1.00 0.00 H new ATOM 0 HA GLN A 8 1.380 -1.122 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.036 0.378 5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.315 -0.507 7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.850 -1.782 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.022 -1.818 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.676 -3.269 7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.305 -4.382 7.554 1.00 0.00 H new ATOM 132 N LEU A 9 1.753 2.133 5.943 1.00 0.00 N ATOM 133 CA LEU A 9 1.183 3.305 6.597 1.00 0.00 C ATOM 134 C LEU A 9 -0.274 3.444 6.243 1.00 0.00 C ATOM 135 O LEU A 9 -1.101 3.757 7.095 1.00 0.00 O ATOM 136 CB LEU A 9 1.950 4.573 6.187 1.00 0.00 C ATOM 137 CG LEU A 9 1.332 5.818 6.854 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.361 5.675 8.386 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.129 7.062 6.435 1.00 0.00 C ATOM 0 H LEU A 9 2.504 2.335 5.284 1.00 0.00 H new ATOM 0 HA LEU A 9 1.271 3.176 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.997 4.481 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.927 4.685 5.103 1.00 0.00 H new ATOM 0 HG LEU A 9 0.295 5.918 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.921 6.562 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.790 4.794 8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.392 5.567 8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.697 7.946 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.166 6.954 6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.091 7.171 5.351 1.00 0.00 H new ATOM 151 N GLN A 10 -0.586 3.230 4.987 1.00 0.00 N ATOM 152 CA GLN A 10 -1.955 3.364 4.559 1.00 0.00 C ATOM 153 C GLN A 10 -2.843 2.349 5.269 1.00 0.00 C ATOM 154 O GLN A 10 -3.956 2.666 5.688 1.00 0.00 O ATOM 155 CB GLN A 10 -2.045 3.173 3.045 1.00 0.00 C ATOM 156 CG GLN A 10 -3.488 3.374 2.572 1.00 0.00 C ATOM 157 CD GLN A 10 -3.549 3.291 1.049 1.00 0.00 C ATOM 158 OE1 GLN A 10 -4.239 2.434 0.498 1.00 0.00 O ATOM 159 NE2 GLN A 10 -2.855 4.132 0.330 1.00 0.00 N ATOM 0 H GLN A 10 0.076 2.967 4.257 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.304 4.364 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.387 3.882 2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.702 2.174 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.134 2.615 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.859 4.342 2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.283 4.842 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.885 4.078 -0.688 1.00 0.00 H new ATOM 168 N ALA A 11 -2.341 1.128 5.403 1.00 0.00 N ATOM 169 CA ALA A 11 -3.094 0.073 6.062 1.00 0.00 C ATOM 170 C ALA A 11 -3.256 0.378 7.548 1.00 0.00 C ATOM 171 O ALA A 11 -4.298 0.096 8.140 1.00 0.00 O ATOM 172 CB ALA A 11 -2.378 -1.267 5.886 1.00 0.00 C ATOM 0 H ALA A 11 -1.421 0.846 5.066 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.083 0.018 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.948 -2.052 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.292 -1.497 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.382 -1.208 6.326 1.00 0.00 H new ATOM 178 N TYR A 12 -2.212 0.949 8.147 1.00 0.00 N ATOM 179 CA TYR A 12 -2.245 1.278 9.569 1.00 0.00 C ATOM 180 C TYR A 12 -3.356 2.281 9.864 1.00 0.00 C ATOM 181 O TYR A 12 -4.170 2.072 10.765 1.00 0.00 O ATOM 182 CB TYR A 12 -0.901 1.871 9.995 1.00 0.00 C ATOM 183 CG TYR A 12 -0.969 2.288 11.445 1.00 0.00 C ATOM 184 CD1 TYR A 12 -0.621 1.378 12.449 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.383 3.581 11.785 1.00 0.00 C ATOM 186 CE1 TYR A 12 -0.686 1.759 13.794 1.00 0.00 C ATOM 187 CE2 TYR A 12 -1.448 3.964 13.130 1.00 0.00 C ATOM 188 CZ TYR A 12 -1.100 3.053 14.135 1.00 0.00 C ATOM 189 OH TYR A 12 -1.164 3.429 15.460 1.00 0.00 O ATOM 0 H TYR A 12 -1.341 1.191 7.674 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.438 0.363 10.129 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.107 1.138 9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.656 2.730 9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.302 0.380 12.186 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.652 4.283 11.010 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.417 1.056 14.568 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.767 4.962 13.393 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.469 4.358 15.522 1.00 0.00 H new ATOM 199 N ALA A 13 -3.384 3.372 9.104 1.00 0.00 N ATOM 200 CA ALA A 13 -4.395 4.401 9.298 1.00 0.00 C ATOM 201 C ALA A 13 -5.791 3.799 9.179 1.00 0.00 C ATOM 202 O ALA A 13 -6.663 4.054 10.008 1.00 0.00 O ATOM 203 CB ALA A 13 -4.218 5.511 8.248 1.00 0.00 C ATOM 0 H ALA A 13 -2.721 3.564 8.353 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.277 4.825 10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.977 6.278 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.228 5.955 8.351 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.323 5.087 7.249 1.00 0.00 H new ATOM 209 N LEU A 14 -5.994 3.007 8.135 1.00 0.00 N ATOM 210 CA LEU A 14 -7.293 2.391 7.911 1.00 0.00 C ATOM 211 C LEU A 14 -7.650 1.463 9.066 1.00 0.00 C ATOM 212 O LEU A 14 -8.779 1.477 9.556 1.00 0.00 O ATOM 213 CB LEU A 14 -7.271 1.587 6.605 1.00 0.00 C ATOM 214 CG LEU A 14 -8.662 0.986 6.322 1.00 0.00 C ATOM 215 CD1 LEU A 14 -9.675 2.101 6.007 1.00 0.00 C ATOM 216 CD2 LEU A 14 -8.558 0.021 5.134 1.00 0.00 C ATOM 0 H LEU A 14 -5.285 2.778 7.438 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.042 3.181 7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.971 2.231 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.530 0.790 6.673 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.008 0.448 7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.652 1.660 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.748 2.778 6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.344 2.656 5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.538 -0.409 4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.206 0.562 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.855 -0.777 5.374 1.00 0.00 H new ATOM 228 N GLN A 15 -6.690 0.650 9.482 1.00 0.00 N ATOM 229 CA GLN A 15 -6.928 -0.293 10.568 1.00 0.00 C ATOM 230 C GLN A 15 -7.200 0.450 11.870 1.00 0.00 C ATOM 231 O GLN A 15 -8.039 0.035 12.670 1.00 0.00 O ATOM 232 CB GLN A 15 -5.716 -1.210 10.738 1.00 0.00 C ATOM 233 CG GLN A 15 -6.055 -2.338 11.716 1.00 0.00 C ATOM 234 CD GLN A 15 -7.085 -3.275 11.094 1.00 0.00 C ATOM 235 OE1 GLN A 15 -6.988 -3.606 9.912 1.00 0.00 O ATOM 236 NE2 GLN A 15 -8.076 -3.718 11.819 1.00 0.00 N ATOM 0 H GLN A 15 -5.749 0.623 9.090 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.802 -0.895 10.320 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.425 -1.627 9.774 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.865 -0.639 11.108 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.152 -2.894 11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.445 -1.921 12.645 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.155 -3.443 12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.772 -4.340 11.407 1.00 0.00 H new ATOM 245 N HIS A 16 -6.481 1.551 12.078 1.00 0.00 N ATOM 246 CA HIS A 16 -6.641 2.353 13.291 1.00 0.00 C ATOM 247 C HIS A 16 -7.686 3.445 13.077 1.00 0.00 C ATOM 248 O HIS A 16 -7.943 4.252 13.968 1.00 0.00 O ATOM 249 CB HIS A 16 -5.301 2.985 13.677 1.00 0.00 C ATOM 250 CG HIS A 16 -4.383 1.919 14.215 1.00 0.00 C ATOM 251 ND1 HIS A 16 -3.799 0.962 13.400 1.00 0.00 N ATOM 252 CD2 HIS A 16 -3.938 1.650 15.486 1.00 0.00 C ATOM 253 CE1 HIS A 16 -3.045 0.168 14.182 1.00 0.00 C ATOM 254 NE2 HIS A 16 -3.095 0.542 15.462 1.00 0.00 N ATOM 0 H HIS A 16 -5.784 1.908 11.425 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.978 1.701 14.097 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.849 3.466 12.809 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.455 3.761 14.427 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -3.919 0.875 12.391 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.202 2.212 16.370 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.469 -0.670 13.818 1.00 0.00 H new ATOM 262 N ASN A 17 -8.289 3.458 11.892 1.00 0.00 N ATOM 263 CA ASN A 17 -9.312 4.452 11.578 1.00 0.00 C ATOM 264 C ASN A 17 -8.780 5.864 11.807 1.00 0.00 C ATOM 265 O ASN A 17 -9.256 6.581 12.689 1.00 0.00 O ATOM 266 CB ASN A 17 -10.545 4.225 12.452 1.00 0.00 C ATOM 267 CG ASN A 17 -11.216 2.910 12.075 1.00 0.00 C ATOM 268 OD1 ASN A 17 -11.137 2.480 10.925 1.00 0.00 O ATOM 269 ND2 ASN A 17 -11.874 2.241 12.981 1.00 0.00 N ATOM 0 H ASN A 17 -8.090 2.799 11.139 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.584 4.344 10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.258 4.208 13.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.247 5.050 12.327 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.325 1.359 12.737 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.938 2.600 13.934 1.00 0.00 H new ATOM 276 N LEU A 18 -7.781 6.256 11.015 1.00 0.00 N ATOM 277 CA LEU A 18 -7.174 7.585 11.140 1.00 0.00 C ATOM 278 C LEU A 18 -7.156 8.294 9.792 1.00 0.00 C ATOM 279 O LEU A 18 -7.096 7.656 8.737 1.00 0.00 O ATOM 280 CB LEU A 18 -5.745 7.447 11.670 1.00 0.00 C ATOM 281 CG LEU A 18 -5.763 6.734 13.032 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.324 6.433 13.463 1.00 0.00 C ATOM 283 CD2 LEU A 18 -6.441 7.617 14.095 1.00 0.00 C ATOM 0 H LEU A 18 -7.375 5.675 10.282 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.767 8.178 11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.137 6.884 10.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.288 8.431 11.770 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.326 5.806 12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.332 5.927 14.429 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.849 5.791 12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.766 7.366 13.546 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.445 7.096 15.052 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.892 8.554 14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.467 7.827 13.793 1.00 0.00 H new ATOM 295 N GLU A 19 -7.206 9.623 9.835 1.00 0.00 N ATOM 296 CA GLU A 19 -7.195 10.422 8.624 1.00 0.00 C ATOM 297 C GLU A 19 -6.093 9.944 7.703 1.00 0.00 C ATOM 298 O GLU A 19 -4.994 9.616 8.147 1.00 0.00 O ATOM 299 CB GLU A 19 -6.985 11.896 8.969 1.00 0.00 C ATOM 300 CG GLU A 19 -8.217 12.429 9.702 1.00 0.00 C ATOM 301 CD GLU A 19 -7.995 13.883 10.106 1.00 0.00 C ATOM 302 OE1 GLU A 19 -6.950 14.416 9.769 1.00 0.00 O ATOM 303 OE2 GLU A 19 -8.870 14.440 10.746 1.00 0.00 O1- ATOM 0 H GLU A 19 -7.254 10.165 10.698 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.154 10.312 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.099 12.012 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.812 12.472 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.094 12.351 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.415 11.823 10.586 1.00 0.00 H new ATOM 310 N LEU A 20 -6.397 9.895 6.421 1.00 0.00 N ATOM 311 CA LEU A 20 -5.425 9.437 5.443 1.00 0.00 C ATOM 312 C LEU A 20 -4.107 10.207 5.580 1.00 0.00 C ATOM 313 O LEU A 20 -4.115 11.393 5.903 1.00 0.00 O ATOM 314 CB LEU A 20 -5.981 9.630 4.029 1.00 0.00 C ATOM 315 CG LEU A 20 -6.382 11.118 3.798 1.00 0.00 C ATOM 316 CD1 LEU A 20 -5.310 11.843 2.968 1.00 0.00 C ATOM 317 CD2 LEU A 20 -7.723 11.189 3.051 1.00 0.00 C ATOM 0 H LEU A 20 -7.301 10.164 6.033 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.232 8.379 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.234 9.330 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.848 8.987 3.882 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.473 11.602 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.607 12.881 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.357 11.812 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.204 11.351 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.997 12.232 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.630 10.689 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.495 10.697 3.642 1.00 0.00 H new ATOM 329 N PRO A 21 -2.987 9.565 5.327 1.00 0.00 N ATOM 330 CA PRO A 21 -1.646 10.221 5.420 1.00 0.00 C ATOM 331 C PRO A 21 -1.405 11.201 4.275 1.00 0.00 C ATOM 332 O PRO A 21 -1.962 11.054 3.185 1.00 0.00 O ATOM 333 CB PRO A 21 -0.669 9.040 5.351 1.00 0.00 C ATOM 334 CG PRO A 21 -1.389 7.994 4.562 1.00 0.00 C ATOM 335 CD PRO A 21 -2.870 8.152 4.920 1.00 0.00 C ATOM 0 HA PRO A 21 -1.538 10.819 6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.265 9.327 4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.414 8.679 6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.228 8.130 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.029 6.996 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.513 7.927 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.160 7.478 5.726 1.00 0.00 H new ATOM 343 N VAL A 22 -0.562 12.198 4.532 1.00 0.00 N ATOM 344 CA VAL A 22 -0.226 13.200 3.522 1.00 0.00 C ATOM 345 C VAL A 22 1.292 13.363 3.412 1.00 0.00 C ATOM 346 O VAL A 22 1.987 13.519 4.415 1.00 0.00 O ATOM 347 CB VAL A 22 -0.864 14.551 3.888 1.00 0.00 C ATOM 348 CG1 VAL A 22 -0.359 15.643 2.939 1.00 0.00 C ATOM 349 CG2 VAL A 22 -2.388 14.446 3.780 1.00 0.00 C ATOM 0 H VAL A 22 -0.099 12.334 5.430 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.615 12.864 2.561 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.588 14.809 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.816 16.596 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.725 15.724 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.626 15.386 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.838 15.404 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.663 14.181 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.749 13.678 4.464 1.00 0.00 H new ATOM 359 N TYR A 23 1.789 13.327 2.177 1.00 0.00 N ATOM 360 CA TYR A 23 3.212 13.479 1.903 1.00 0.00 C ATOM 361 C TYR A 23 3.490 14.845 1.289 1.00 0.00 C ATOM 362 O TYR A 23 2.640 15.420 0.608 1.00 0.00 O ATOM 363 CB TYR A 23 3.676 12.384 0.964 1.00 0.00 C ATOM 364 CG TYR A 23 3.608 11.060 1.688 1.00 0.00 C ATOM 365 CD1 TYR A 23 2.372 10.479 1.978 1.00 0.00 C ATOM 366 CD2 TYR A 23 4.786 10.419 2.064 1.00 0.00 C ATOM 367 CE1 TYR A 23 2.318 9.248 2.640 1.00 0.00 C ATOM 368 CE2 TYR A 23 4.740 9.191 2.727 1.00 0.00 C ATOM 369 CZ TYR A 23 3.504 8.601 3.018 1.00 0.00 C ATOM 370 OH TYR A 23 3.454 7.383 3.668 1.00 0.00 O ATOM 0 H TYR A 23 1.217 13.192 1.343 1.00 0.00 H new ATOM 0 HA TYR A 23 3.761 13.400 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.048 12.360 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.695 12.580 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.459 10.979 1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.740 10.874 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.363 8.795 2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.656 8.697 3.015 1.00 0.00 H new ATOM 0 HH TYR A 23 4.051 6.748 3.220 1.00 0.00 H new ATOM 380 N ALA A 24 4.701 15.340 1.508 1.00 0.00 N ATOM 381 CA ALA A 24 5.119 16.627 0.960 1.00 0.00 C ATOM 382 C ALA A 24 6.434 16.439 0.230 1.00 0.00 C ATOM 383 O ALA A 24 7.451 16.180 0.854 1.00 0.00 O ATOM 384 CB ALA A 24 5.294 17.661 2.088 1.00 0.00 C ATOM 0 H ALA A 24 5.415 14.869 2.063 1.00 0.00 H new ATOM 0 HA ALA A 24 4.356 16.994 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.606 18.615 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.348 17.790 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.053 17.311 2.788 1.00 0.00 H new ATOM 390 N ASN A 25 6.390 16.556 -1.094 1.00 0.00 N ATOM 391 CA ASN A 25 7.582 16.367 -1.922 1.00 0.00 C ATOM 392 C ASN A 25 8.080 17.692 -2.468 1.00 0.00 C ATOM 393 O ASN A 25 7.297 18.572 -2.821 1.00 0.00 O ATOM 394 CB ASN A 25 7.254 15.439 -3.090 1.00 0.00 C ATOM 395 CG ASN A 25 6.059 15.982 -3.871 1.00 0.00 C ATOM 396 OD1 ASN A 25 5.661 17.132 -3.679 1.00 0.00 O ATOM 397 ND2 ASN A 25 5.455 15.219 -4.741 1.00 0.00 N ATOM 0 H ASN A 25 5.544 16.780 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 25 8.362 15.928 -1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.118 15.350 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.032 14.439 -2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.654 15.575 -5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.785 14.267 -4.900 1.00 0.00 H new ATOM 404 N GLU A 26 9.402 17.806 -2.559 1.00 0.00 N ATOM 405 CA GLU A 26 10.033 19.018 -3.093 1.00 0.00 C ATOM 406 C GLU A 26 11.299 18.656 -3.875 1.00 0.00 C ATOM 407 O GLU A 26 11.982 17.684 -3.550 1.00 0.00 O ATOM 408 CB GLU A 26 10.366 19.984 -1.940 1.00 0.00 C ATOM 409 CG GLU A 26 11.698 19.586 -1.273 1.00 0.00 C ATOM 410 CD GLU A 26 12.878 20.229 -1.996 1.00 0.00 C ATOM 411 OE1 GLU A 26 12.668 20.768 -3.067 1.00 0.00 O ATOM 412 OE2 GLU A 26 13.979 20.155 -1.471 1.00 0.00 O1- ATOM 0 H GLU A 26 10.058 17.080 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 26 9.339 19.511 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.432 21.004 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.564 19.970 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.693 19.895 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.806 18.501 -1.284 1.00 0.00 H new ATOM 419 N ARG A 27 11.614 19.447 -4.904 1.00 0.00 N ATOM 420 CA ARG A 27 12.801 19.201 -5.717 1.00 0.00 C ATOM 421 C ARG A 27 13.619 20.470 -5.857 1.00 0.00 C ATOM 422 O ARG A 27 13.107 21.502 -6.291 1.00 0.00 O ATOM 423 CB ARG A 27 12.381 18.728 -7.109 1.00 0.00 C ATOM 424 CG ARG A 27 13.622 18.359 -7.926 1.00 0.00 C ATOM 425 CD ARG A 27 13.202 17.960 -9.338 1.00 0.00 C ATOM 426 NE ARG A 27 12.641 19.110 -10.035 1.00 0.00 N ATOM 427 CZ ARG A 27 12.141 18.994 -11.261 1.00 0.00 C ATOM 428 NH1 ARG A 27 12.152 17.836 -11.861 1.00 0.00 N ATOM 429 NH2 ARG A 27 11.642 20.037 -11.865 1.00 0.00 N1+ ATOM 0 H ARG A 27 11.065 20.258 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 27 13.404 18.436 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.719 17.866 -7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.820 19.513 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.309 19.204 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.154 17.537 -7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.062 17.576 -9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.467 17.157 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 27 12.632 20.020 -9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.544 17.021 -11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.769 17.745 -12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.635 20.943 -11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.259 19.947 -12.806 1.00 0.00 H new ATOM 443 N GLU A 28 14.892 20.399 -5.496 1.00 0.00 N ATOM 444 CA GLU A 28 15.753 21.561 -5.605 1.00 0.00 C ATOM 445 C GLU A 28 17.204 21.124 -5.614 1.00 0.00 C ATOM 446 O GLU A 28 17.633 20.344 -4.766 1.00 0.00 O ATOM 447 CB GLU A 28 15.520 22.516 -4.427 1.00 0.00 C ATOM 448 CG GLU A 28 16.380 23.776 -4.600 1.00 0.00 C ATOM 449 CD GLU A 28 16.131 24.740 -3.446 1.00 0.00 C ATOM 450 OE1 GLU A 28 15.522 24.324 -2.474 1.00 0.00 O ATOM 451 OE2 GLU A 28 16.552 25.881 -3.550 1.00 0.00 O1- ATOM 0 H GLU A 28 15.344 19.561 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 28 15.518 22.080 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.466 22.789 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.771 22.020 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 28 17.435 23.504 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.143 24.261 -5.547 1.00 0.00 H new ATOM 458 N GLY A 29 17.968 21.617 -6.575 1.00 0.00 N ATOM 459 CA GLY A 29 19.378 21.262 -6.649 1.00 0.00 C ATOM 460 C GLY A 29 19.877 21.267 -8.097 1.00 0.00 C ATOM 461 O GLY A 29 19.142 20.881 -9.004 1.00 0.00 O ATOM 0 H GLY A 29 17.644 22.253 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.964 21.966 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.530 20.275 -6.213 1.00 0.00 H new ATOM 465 N PRO A 30 21.104 21.684 -8.338 1.00 0.00 N ATOM 466 CA PRO A 30 21.672 21.713 -9.714 1.00 0.00 C ATOM 467 C PRO A 30 21.347 20.439 -10.510 1.00 0.00 C ATOM 468 O PRO A 30 20.893 19.444 -9.943 1.00 0.00 O ATOM 469 CB PRO A 30 23.185 21.833 -9.482 1.00 0.00 C ATOM 470 CG PRO A 30 23.342 22.493 -8.146 1.00 0.00 C ATOM 471 CD PRO A 30 22.063 22.199 -7.341 1.00 0.00 C ATOM 0 HA PRO A 30 21.256 22.529 -10.305 1.00 0.00 H new ATOM 0 HB2 PRO A 30 23.661 20.853 -9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 30 23.655 22.424 -10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.220 22.108 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 30 23.485 23.567 -8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.249 21.467 -6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.685 23.099 -6.855 1.00 0.00 H new ATOM 479 N PRO A 31 21.578 20.450 -11.808 1.00 0.00 N ATOM 480 CA PRO A 31 21.309 19.263 -12.684 1.00 0.00 C ATOM 481 C PRO A 31 22.035 18.000 -12.201 1.00 0.00 C ATOM 482 O PRO A 31 21.423 16.946 -12.027 1.00 0.00 O ATOM 483 CB PRO A 31 21.836 19.697 -14.065 1.00 0.00 C ATOM 484 CG PRO A 31 21.857 21.192 -14.036 1.00 0.00 C ATOM 485 CD PRO A 31 22.117 21.587 -12.584 1.00 0.00 C ATOM 0 HA PRO A 31 20.252 18.997 -12.687 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.832 19.295 -14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 31 21.192 19.329 -14.864 1.00 0.00 H new ATOM 0 HG2 PRO A 31 22.636 21.583 -14.691 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.910 21.601 -14.387 1.00 0.00 H new ATOM 0 HD2 PRO A 31 23.180 21.733 -12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.616 22.520 -12.327 1.00 0.00 H new ATOM 493 N HIS A 32 23.347 18.119 -12.002 1.00 0.00 N ATOM 494 CA HIS A 32 24.159 16.986 -11.558 1.00 0.00 C ATOM 495 C HIS A 32 24.139 16.873 -10.041 1.00 0.00 C ATOM 496 O HIS A 32 24.824 16.029 -9.461 1.00 0.00 O ATOM 497 CB HIS A 32 25.600 17.155 -12.040 1.00 0.00 C ATOM 498 CG HIS A 32 25.652 16.994 -13.535 1.00 0.00 C ATOM 499 ND1 HIS A 32 25.435 18.053 -14.402 1.00 0.00 N ATOM 500 CD2 HIS A 32 25.900 15.902 -14.333 1.00 0.00 C ATOM 501 CE1 HIS A 32 25.557 17.582 -15.657 1.00 0.00 C ATOM 502 NE2 HIS A 32 25.839 16.277 -15.672 1.00 0.00 N ATOM 0 H HIS A 32 23.869 18.984 -12.140 1.00 0.00 H new ATOM 0 HA HIS A 32 23.738 16.075 -11.983 1.00 0.00 H new ATOM 0 HB2 HIS A 32 25.977 18.138 -11.756 1.00 0.00 H new ATOM 0 HB3 HIS A 32 26.244 16.417 -11.562 1.00 0.00 H new ATOM 0 HD2 HIS A 32 26.110 14.905 -13.975 1.00 0.00 H new ATOM 0 HE1 HIS A 32 25.441 18.186 -16.544 1.00 0.00 H new ATOM 0 HE2 HIS A 32 25.980 15.683 -16.489 1.00 0.00 H new ATOM 510 N ALA A 33 23.327 17.713 -9.406 1.00 0.00 N ATOM 511 CA ALA A 33 23.200 17.684 -7.950 1.00 0.00 C ATOM 512 C ALA A 33 21.742 17.861 -7.528 1.00 0.00 C ATOM 513 O ALA A 33 21.406 18.791 -6.796 1.00 0.00 O ATOM 514 CB ALA A 33 24.058 18.794 -7.337 1.00 0.00 C ATOM 0 H ALA A 33 22.752 18.416 -9.870 1.00 0.00 H new ATOM 0 HA ALA A 33 23.546 16.715 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.962 18.771 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 33 25.102 18.641 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.722 19.762 -7.710 1.00 0.00 H new ATOM 520 N PRO A 34 20.880 16.969 -7.952 1.00 0.00 N ATOM 521 CA PRO A 34 19.437 17.011 -7.587 1.00 0.00 C ATOM 522 C PRO A 34 19.196 16.491 -6.173 1.00 0.00 C ATOM 523 O PRO A 34 19.795 15.501 -5.758 1.00 0.00 O ATOM 524 CB PRO A 34 18.775 16.111 -8.637 1.00 0.00 C ATOM 525 CG PRO A 34 19.833 15.126 -9.037 1.00 0.00 C ATOM 526 CD PRO A 34 21.190 15.825 -8.832 1.00 0.00 C ATOM 0 HA PRO A 34 19.035 18.024 -7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.901 15.605 -8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.434 16.692 -9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.768 14.222 -8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.707 14.824 -10.077 1.00 0.00 H new ATOM 0 HD2 PRO A 34 21.917 15.155 -8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 34 21.615 16.156 -9.780 1.00 0.00 H new ATOM 534 N ARG A 35 18.305 17.154 -5.438 1.00 0.00 N ATOM 535 CA ARG A 35 17.987 16.731 -4.077 1.00 0.00 C ATOM 536 C ARG A 35 16.488 16.606 -3.923 1.00 0.00 C ATOM 537 O ARG A 35 15.750 17.534 -4.252 1.00 0.00 O ATOM 538 CB ARG A 35 18.529 17.747 -3.070 1.00 0.00 C ATOM 539 CG ARG A 35 20.036 17.939 -3.276 1.00 0.00 C ATOM 540 CD ARG A 35 20.798 16.718 -2.752 1.00 0.00 C ATOM 541 NE ARG A 35 22.232 16.983 -2.742 1.00 0.00 N ATOM 542 CZ ARG A 35 23.114 15.994 -2.846 1.00 0.00 C ATOM 543 NH1 ARG A 35 22.702 14.760 -2.965 1.00 0.00 N ATOM 544 NH2 ARG A 35 24.389 16.257 -2.827 1.00 0.00 N1+ ATOM 0 H ARG A 35 17.796 17.978 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 35 18.452 15.764 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.013 18.700 -3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.334 17.404 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.251 18.085 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.371 18.837 -2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 35 20.459 16.474 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.586 15.852 -3.379 1.00 0.00 H new ATOM 0 HE ARG A 35 22.564 17.943 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 35 21.703 14.555 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.379 14.002 -3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.710 17.221 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.067 15.499 -2.907 1.00 0.00 H new ATOM 558 N PHE A 36 16.025 15.464 -3.403 1.00 0.00 N ATOM 559 CA PHE A 36 14.591 15.272 -3.210 1.00 0.00 C ATOM 560 C PHE A 36 14.245 15.153 -1.745 1.00 0.00 C ATOM 561 O PHE A 36 14.457 14.115 -1.142 1.00 0.00 O ATOM 562 CB PHE A 36 14.176 13.979 -3.883 1.00 0.00 C ATOM 563 CG PHE A 36 14.523 14.060 -5.334 1.00 0.00 C ATOM 564 CD1 PHE A 36 13.644 14.690 -6.198 1.00 0.00 C ATOM 565 CD2 PHE A 36 15.710 13.509 -5.801 1.00 0.00 C ATOM 566 CE1 PHE A 36 13.940 14.766 -7.558 1.00 0.00 C ATOM 567 CE2 PHE A 36 16.017 13.579 -7.155 1.00 0.00 C ATOM 568 CZ PHE A 36 15.129 14.205 -8.043 1.00 0.00 C ATOM 0 H PHE A 36 16.609 14.679 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 36 14.075 16.133 -3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.683 13.133 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.105 13.816 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.730 15.122 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.391 13.028 -5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.256 15.255 -8.235 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.938 13.152 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.361 14.254 -9.097 1.00 0.00 H new ATOM 578 N ARG A 37 13.722 16.226 -1.170 1.00 0.00 N ATOM 579 CA ARG A 37 13.361 16.210 0.247 1.00 0.00 C ATOM 580 C ARG A 37 11.863 16.018 0.390 1.00 0.00 C ATOM 581 O ARG A 37 11.077 16.924 0.114 1.00 0.00 O ATOM 582 CB ARG A 37 13.780 17.532 0.915 1.00 0.00 C ATOM 583 CG ARG A 37 15.304 17.658 0.926 1.00 0.00 C ATOM 584 CD ARG A 37 15.704 19.030 1.481 1.00 0.00 C ATOM 585 NE ARG A 37 15.317 19.148 2.884 1.00 0.00 N ATOM 586 CZ ARG A 37 15.458 20.294 3.542 1.00 0.00 C ATOM 587 NH1 ARG A 37 15.945 21.342 2.936 1.00 0.00 N ATOM 588 NH2 ARG A 37 15.108 20.372 4.798 1.00 0.00 N1+ ATOM 0 H ARG A 37 13.539 17.107 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 37 13.880 15.386 0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.342 18.374 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.397 17.570 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.740 16.867 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.696 17.535 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.781 19.169 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.226 19.818 0.899 1.00 0.00 H new ATOM 0 HE ARG A 37 14.932 18.337 3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.218 21.283 1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.052 22.220 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.727 19.554 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.216 21.251 5.304 1.00 0.00 H new ATOM 602 N CYS A 38 11.467 14.823 0.816 1.00 0.00 N ATOM 603 CA CYS A 38 10.052 14.512 0.986 1.00 0.00 C ATOM 604 C CYS A 38 9.722 14.262 2.443 1.00 0.00 C ATOM 605 O CYS A 38 10.376 13.464 3.117 1.00 0.00 O ATOM 606 CB CYS A 38 9.667 13.293 0.157 1.00 0.00 C ATOM 607 SG CYS A 38 7.866 13.213 0.005 1.00 0.00 S ATOM 0 H CYS A 38 12.101 14.059 1.049 1.00 0.00 H new ATOM 0 HA CYS A 38 9.480 15.373 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.124 13.352 -0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.044 12.385 0.628 1.00 0.00 H new ATOM 0 HG CYS A 38 7.548 12.849 -1.202 1.00 0.00 H new ATOM 613 N ASN A 39 8.689 14.946 2.919 1.00 0.00 N ATOM 614 CA ASN A 39 8.244 14.793 4.310 1.00 0.00 C ATOM 615 C ASN A 39 6.908 14.062 4.370 1.00 0.00 C ATOM 616 O ASN A 39 6.161 14.038 3.393 1.00 0.00 O ATOM 617 CB ASN A 39 8.109 16.159 4.986 1.00 0.00 C ATOM 618 CG ASN A 39 9.489 16.763 5.203 1.00 0.00 C ATOM 619 OD1 ASN A 39 10.490 16.049 5.166 1.00 0.00 O ATOM 620 ND2 ASN A 39 9.602 18.041 5.428 1.00 0.00 N ATOM 0 H ASN A 39 8.142 15.610 2.371 1.00 0.00 H new ATOM 0 HA ASN A 39 8.995 14.206 4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.504 16.823 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.593 16.054 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.523 18.454 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.769 18.629 5.458 1.00 0.00 H new ATOM 627 N VAL A 40 6.615 13.460 5.524 1.00 0.00 N ATOM 628 CA VAL A 40 5.362 12.723 5.705 1.00 0.00 C ATOM 629 C VAL A 40 4.614 13.250 6.918 1.00 0.00 C ATOM 630 O VAL A 40 5.131 13.228 8.029 1.00 0.00 O ATOM 631 CB VAL A 40 5.653 11.232 5.900 1.00 0.00 C ATOM 632 CG1 VAL A 40 6.645 11.039 7.052 1.00 0.00 C ATOM 633 CG2 VAL A 40 4.350 10.488 6.215 1.00 0.00 C ATOM 0 H VAL A 40 7.223 13.467 6.343 1.00 0.00 H new ATOM 0 HA VAL A 40 4.748 12.860 4.815 1.00 0.00 H new ATOM 0 HB VAL A 40 6.087 10.832 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.847 9.976 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.575 11.559 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.220 11.445 7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.561 9.428 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.911 10.893 7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.650 10.614 5.389 1.00 0.00 H new ATOM 643 N THR A 41 3.389 13.717 6.691 1.00 0.00 N ATOM 644 CA THR A 41 2.561 14.252 7.773 1.00 0.00 C ATOM 645 C THR A 41 1.571 13.206 8.261 1.00 0.00 C ATOM 646 O THR A 41 0.785 12.673 7.479 1.00 0.00 O ATOM 647 CB THR A 41 1.791 15.480 7.282 1.00 0.00 C ATOM 648 OG1 THR A 41 2.712 16.485 6.887 1.00 0.00 O ATOM 649 CG2 THR A 41 0.898 16.014 8.406 1.00 0.00 C ATOM 0 H THR A 41 2.947 13.737 5.772 1.00 0.00 H new ATOM 0 HA THR A 41 3.217 14.532 8.597 1.00 0.00 H new ATOM 0 HB THR A 41 1.168 15.202 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.221 17.272 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.352 16.888 8.052 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.191 15.241 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.515 16.293 9.260 1.00 0.00 H new ATOM 657 N PHE A 42 1.609 12.915 9.560 1.00 0.00 N ATOM 658 CA PHE A 42 0.702 11.923 10.137 1.00 0.00 C ATOM 659 C PHE A 42 0.322 12.318 11.564 1.00 0.00 C ATOM 660 O PHE A 42 1.186 12.666 12.369 1.00 0.00 O ATOM 661 CB PHE A 42 1.386 10.538 10.140 1.00 0.00 C ATOM 662 CG PHE A 42 0.342 9.446 10.066 1.00 0.00 C ATOM 663 CD1 PHE A 42 -0.468 9.374 8.938 1.00 0.00 C ATOM 664 CD2 PHE A 42 0.180 8.523 11.107 1.00 0.00 C ATOM 665 CE1 PHE A 42 -1.448 8.389 8.837 1.00 0.00 C ATOM 666 CE2 PHE A 42 -0.804 7.526 11.005 1.00 0.00 C ATOM 667 CZ PHE A 42 -1.617 7.463 9.870 1.00 0.00 C ATOM 0 H PHE A 42 2.250 13.346 10.227 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.205 11.878 9.534 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.068 10.458 9.294 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.984 10.420 11.044 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.337 10.085 8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.808 8.578 11.984 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.077 8.341 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.932 6.809 11.803 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.376 6.699 9.791 1.00 0.00 H new ATOM 677 N CYS A 43 -0.969 12.257 11.873 1.00 0.00 N ATOM 678 CA CYS A 43 -1.438 12.605 13.212 1.00 0.00 C ATOM 679 C CYS A 43 -0.830 13.927 13.667 1.00 0.00 C ATOM 680 O CYS A 43 -0.386 14.058 14.808 1.00 0.00 O ATOM 681 CB CYS A 43 -1.059 11.497 14.196 1.00 0.00 C ATOM 682 SG CYS A 43 -1.685 11.912 15.842 1.00 0.00 S ATOM 0 H CYS A 43 -1.703 11.973 11.224 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.522 12.712 13.184 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.475 10.545 13.866 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.024 11.378 14.227 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.343 13.130 16.142 1.00 0.00 H new ATOM 688 N GLY A 44 -0.837 14.908 12.774 1.00 0.00 N ATOM 689 CA GLY A 44 -0.302 16.227 13.098 1.00 0.00 C ATOM 690 C GLY A 44 1.180 16.153 13.437 1.00 0.00 C ATOM 691 O GLY A 44 1.683 16.929 14.250 1.00 0.00 O ATOM 0 H GLY A 44 -1.204 14.819 11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.451 16.900 12.254 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.850 16.647 13.941 1.00 0.00 H new ATOM 695 N GLN A 45 1.880 15.210 12.813 1.00 0.00 N ATOM 696 CA GLN A 45 3.312 15.036 13.055 1.00 0.00 C ATOM 697 C GLN A 45 4.043 14.810 11.739 1.00 0.00 C ATOM 698 O GLN A 45 3.717 13.892 10.985 1.00 0.00 O ATOM 699 CB GLN A 45 3.538 13.854 13.995 1.00 0.00 C ATOM 700 CG GLN A 45 5.012 13.804 14.420 1.00 0.00 C ATOM 701 CD GLN A 45 5.358 15.034 15.252 1.00 0.00 C ATOM 702 OE1 GLN A 45 6.349 15.713 14.977 1.00 0.00 O ATOM 703 NE2 GLN A 45 4.590 15.367 16.251 1.00 0.00 N ATOM 0 H GLN A 45 1.483 14.556 12.138 1.00 0.00 H new ATOM 0 HA GLN A 45 3.706 15.939 13.521 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.900 13.949 14.873 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.261 12.924 13.498 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.202 12.899 14.998 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.652 13.760 13.539 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.771 14.802 16.475 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.808 16.193 16.809 1.00 0.00 H new ATOM 712 N THR A 46 5.030 15.663 11.464 1.00 0.00 N ATOM 713 CA THR A 46 5.800 15.564 10.224 1.00 0.00 C ATOM 714 C THR A 46 7.187 14.982 10.478 1.00 0.00 C ATOM 715 O THR A 46 8.050 15.632 11.070 1.00 0.00 O ATOM 716 CB THR A 46 5.940 16.949 9.589 1.00 0.00 C ATOM 717 OG1 THR A 46 7.053 16.949 8.709 1.00 0.00 O ATOM 718 CG2 THR A 46 6.147 17.995 10.683 1.00 0.00 C ATOM 0 H THR A 46 5.314 16.426 12.079 1.00 0.00 H new ATOM 0 HA THR A 46 5.265 14.897 9.548 1.00 0.00 H new ATOM 0 HB THR A 46 5.035 17.190 9.031 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.881 16.887 9.229 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.247 18.981 10.229 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.291 17.991 11.357 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.052 17.761 11.244 1.00 0.00 H new ATOM 726 N PHE A 47 7.394 13.752 10.014 1.00 0.00 N ATOM 727 CA PHE A 47 8.681 13.081 10.182 1.00 0.00 C ATOM 728 C PHE A 47 9.568 13.347 8.973 1.00 0.00 C ATOM 729 O PHE A 47 9.091 13.373 7.835 1.00 0.00 O ATOM 730 CB PHE A 47 8.482 11.576 10.347 1.00 0.00 C ATOM 731 CG PHE A 47 7.889 11.297 11.704 1.00 0.00 C ATOM 732 CD1 PHE A 47 6.527 11.496 11.907 1.00 0.00 C ATOM 733 CD2 PHE A 47 8.696 10.835 12.749 1.00 0.00 C ATOM 734 CE1 PHE A 47 5.959 11.234 13.156 1.00 0.00 C ATOM 735 CE2 PHE A 47 8.131 10.573 14.004 1.00 0.00 C ATOM 736 CZ PHE A 47 6.760 10.772 14.206 1.00 0.00 C ATOM 0 H PHE A 47 6.691 13.202 9.521 1.00 0.00 H new ATOM 0 HA PHE A 47 9.161 13.475 11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.824 11.197 9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.435 11.058 10.241 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.908 11.854 11.098 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.753 10.681 12.589 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.901 11.388 13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.752 10.218 14.814 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.321 10.569 15.172 1.00 0.00 H new ATOM 746 N GLN A 48 10.859 13.549 9.225 1.00 0.00 N ATOM 747 CA GLN A 48 11.813 13.820 8.153 1.00 0.00 C ATOM 748 C GLN A 48 13.190 13.290 8.529 1.00 0.00 C ATOM 749 O GLN A 48 13.508 13.136 9.709 1.00 0.00 O ATOM 750 CB GLN A 48 11.902 15.328 7.893 1.00 0.00 C ATOM 751 CG GLN A 48 12.111 16.071 9.215 1.00 0.00 C ATOM 752 CD GLN A 48 10.810 16.100 10.009 1.00 0.00 C ATOM 753 OE1 GLN A 48 9.757 16.428 9.465 1.00 0.00 O ATOM 754 NE2 GLN A 48 10.822 15.772 11.272 1.00 0.00 N ATOM 0 H GLN A 48 11.268 13.530 10.159 1.00 0.00 H new ATOM 0 HA GLN A 48 11.468 13.318 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.726 15.541 7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.990 15.677 7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.891 15.581 9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.450 17.088 9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.697 15.500 11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.956 15.787 11.811 1.00 0.00 H new ATOM 763 N SER A 49 14.010 13.014 7.517 1.00 0.00 N ATOM 764 CA SER A 49 15.361 12.505 7.742 1.00 0.00 C ATOM 765 C SER A 49 16.371 13.643 7.702 1.00 0.00 C ATOM 766 O SER A 49 16.036 14.770 7.336 1.00 0.00 O ATOM 767 CB SER A 49 15.714 11.471 6.672 1.00 0.00 C ATOM 768 OG SER A 49 17.119 11.264 6.666 1.00 0.00 O ATOM 0 H SER A 49 13.763 13.134 6.535 1.00 0.00 H new ATOM 0 HA SER A 49 15.395 12.036 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.197 10.532 6.872 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.381 11.816 5.693 1.00 0.00 H new ATOM 0 HG SER A 49 17.349 10.601 5.982 1.00 0.00 H new ATOM 774 N SER A 50 17.611 13.341 8.081 1.00 0.00 N ATOM 775 CA SER A 50 18.677 14.343 8.087 1.00 0.00 C ATOM 776 C SER A 50 19.539 14.215 6.835 1.00 0.00 C ATOM 777 O SER A 50 20.494 14.973 6.644 1.00 0.00 O ATOM 778 CB SER A 50 19.551 14.167 9.329 1.00 0.00 C ATOM 779 OG SER A 50 20.162 12.885 9.297 1.00 0.00 O ATOM 0 H SER A 50 17.903 12.413 8.387 1.00 0.00 H new ATOM 0 HA SER A 50 18.220 15.333 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 50 20.314 14.945 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.947 14.272 10.230 1.00 0.00 H new ATOM 0 HG SER A 50 20.724 12.771 10.092 1.00 0.00 H new ATOM 785 N GLU A 51 19.199 13.248 5.981 1.00 0.00 N ATOM 786 CA GLU A 51 19.943 13.016 4.742 1.00 0.00 C ATOM 787 C GLU A 51 19.001 12.978 3.548 1.00 0.00 C ATOM 788 O GLU A 51 17.988 12.275 3.556 1.00 0.00 O ATOM 789 CB GLU A 51 20.712 11.697 4.828 1.00 0.00 C ATOM 790 CG GLU A 51 21.573 11.524 3.574 1.00 0.00 C ATOM 791 CD GLU A 51 22.400 10.249 3.685 1.00 0.00 C ATOM 792 OE1 GLU A 51 22.509 9.731 4.783 1.00 0.00 O ATOM 793 OE2 GLU A 51 22.912 9.810 2.668 1.00 0.00 O1- ATOM 0 H GLU A 51 18.414 12.613 6.125 1.00 0.00 H new ATOM 0 HA GLU A 51 20.647 13.838 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.341 11.688 5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.016 10.864 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.938 11.480 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.230 12.385 3.452 1.00 0.00 H new ATOM 800 N PHE A 52 19.348 13.752 2.529 1.00 0.00 N ATOM 801 CA PHE A 52 18.539 13.825 1.318 1.00 0.00 C ATOM 802 C PHE A 52 18.806 12.617 0.443 1.00 0.00 C ATOM 803 O PHE A 52 19.911 12.074 0.423 1.00 0.00 O ATOM 804 CB PHE A 52 18.834 15.121 0.525 1.00 0.00 C ATOM 805 CG PHE A 52 19.647 16.041 1.377 1.00 0.00 C ATOM 806 CD1 PHE A 52 21.009 15.820 1.478 1.00 0.00 C ATOM 807 CD2 PHE A 52 19.042 17.090 2.051 1.00 0.00 C ATOM 808 CE1 PHE A 52 21.796 16.662 2.269 1.00 0.00 C ATOM 809 CE2 PHE A 52 19.812 17.941 2.848 1.00 0.00 C ATOM 810 CZ PHE A 52 21.196 17.729 2.958 1.00 0.00 C ATOM 0 H PHE A 52 20.183 14.338 2.516 1.00 0.00 H new ATOM 0 HA PHE A 52 17.490 13.836 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.372 14.886 -0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 52 17.901 15.604 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 52 21.464 14.997 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 52 17.978 17.249 1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 52 22.860 16.493 2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 52 19.345 18.758 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 52 21.797 18.384 3.571 1.00 0.00 H new ATOM 820 N PHE A 53 17.774 12.206 -0.270 1.00 0.00 N ATOM 821 CA PHE A 53 17.875 11.044 -1.169 1.00 0.00 C ATOM 822 C PHE A 53 18.086 11.488 -2.632 1.00 0.00 C ATOM 823 O PHE A 53 17.580 12.535 -3.042 1.00 0.00 O ATOM 824 CB PHE A 53 16.612 10.166 -1.063 1.00 0.00 C ATOM 825 CG PHE A 53 15.982 10.380 0.282 1.00 0.00 C ATOM 826 CD1 PHE A 53 15.172 11.490 0.496 1.00 0.00 C ATOM 827 CD2 PHE A 53 16.213 9.476 1.307 1.00 0.00 C ATOM 828 CE1 PHE A 53 14.585 11.700 1.740 1.00 0.00 C ATOM 829 CE2 PHE A 53 15.632 9.684 2.552 1.00 0.00 C ATOM 830 CZ PHE A 53 14.817 10.796 2.772 1.00 0.00 C ATOM 0 H PHE A 53 16.855 12.649 -0.253 1.00 0.00 H new ATOM 0 HA PHE A 53 18.741 10.459 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 53 15.907 10.422 -1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 53 16.871 9.116 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.998 12.192 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 53 16.842 8.614 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 53 13.953 12.560 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 53 15.812 8.982 3.353 1.00 0.00 H new ATOM 0 HZ PHE A 53 14.368 10.954 3.741 1.00 0.00 H new ATOM 840 N PRO A 54 18.809 10.714 -3.421 1.00 0.00 N ATOM 841 CA PRO A 54 19.071 11.042 -4.858 1.00 0.00 C ATOM 842 C PRO A 54 17.845 10.795 -5.749 1.00 0.00 C ATOM 843 O PRO A 54 17.859 11.122 -6.936 1.00 0.00 O ATOM 844 CB PRO A 54 20.233 10.112 -5.238 1.00 0.00 C ATOM 845 CG PRO A 54 20.122 8.936 -4.317 1.00 0.00 C ATOM 846 CD PRO A 54 19.463 9.449 -3.026 1.00 0.00 C ATOM 0 HA PRO A 54 19.303 12.097 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.163 9.802 -6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 54 21.193 10.614 -5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.524 8.145 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 54 21.105 8.513 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.739 8.732 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 54 20.202 9.612 -2.241 1.00 0.00 H new ATOM 854 N THR A 55 16.796 10.206 -5.177 1.00 0.00 N ATOM 855 CA THR A 55 15.579 9.904 -5.938 1.00 0.00 C ATOM 856 C THR A 55 14.332 10.333 -5.172 1.00 0.00 C ATOM 857 O THR A 55 14.346 10.455 -3.946 1.00 0.00 O ATOM 858 CB THR A 55 15.521 8.393 -6.226 1.00 0.00 C ATOM 859 OG1 THR A 55 16.075 7.697 -5.123 1.00 0.00 O ATOM 860 CG2 THR A 55 16.326 8.057 -7.485 1.00 0.00 C ATOM 0 H THR A 55 16.761 9.929 -4.196 1.00 0.00 H new ATOM 0 HA THR A 55 15.608 10.460 -6.875 1.00 0.00 H new ATOM 0 HB THR A 55 14.483 8.098 -6.382 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.189 6.752 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.275 6.985 -7.674 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.911 8.596 -8.337 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.366 8.351 -7.341 1.00 0.00 H new ATOM 868 N LEU A 56 13.263 10.593 -5.921 1.00 0.00 N ATOM 869 CA LEU A 56 12.014 11.043 -5.320 1.00 0.00 C ATOM 870 C LEU A 56 11.370 9.940 -4.477 1.00 0.00 C ATOM 871 O LEU A 56 11.207 10.092 -3.265 1.00 0.00 O ATOM 872 CB LEU A 56 11.042 11.497 -6.415 1.00 0.00 C ATOM 873 CG LEU A 56 10.346 12.790 -5.978 1.00 0.00 C ATOM 874 CD1 LEU A 56 9.421 13.247 -7.086 1.00 0.00 C ATOM 875 CD2 LEU A 56 9.539 12.540 -4.690 1.00 0.00 C ATOM 0 H LEU A 56 13.238 10.500 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 56 12.240 11.882 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.580 11.659 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.302 10.719 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 56 11.091 13.561 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.920 14.167 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.000 13.428 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.676 12.475 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.046 13.463 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.788 11.772 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.211 12.208 -3.898 1.00 0.00 H new ATOM 887 N LYS A 57 10.972 8.847 -5.122 1.00 0.00 N ATOM 888 CA LYS A 57 10.306 7.759 -4.416 1.00 0.00 C ATOM 889 C LYS A 57 11.144 7.304 -3.235 1.00 0.00 C ATOM 890 O LYS A 57 10.612 6.898 -2.206 1.00 0.00 O ATOM 891 CB LYS A 57 10.098 6.588 -5.378 1.00 0.00 C ATOM 892 CG LYS A 57 9.063 6.959 -6.449 1.00 0.00 C ATOM 893 CD LYS A 57 8.872 5.778 -7.405 1.00 0.00 C ATOM 894 CE LYS A 57 7.827 6.137 -8.465 1.00 0.00 C ATOM 895 NZ LYS A 57 7.619 4.975 -9.377 1.00 0.00 N1+ ATOM 0 H LYS A 57 11.098 8.692 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 57 9.343 8.111 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.044 6.325 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.762 5.710 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.114 7.217 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.395 7.838 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.819 5.528 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.553 4.896 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.887 6.409 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.156 7.005 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.909 5.221 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.517 4.735 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.286 4.157 -8.827 1.00 0.00 H new ATOM 909 N SER A 58 12.453 7.380 -3.386 1.00 0.00 N ATOM 910 CA SER A 58 13.342 6.977 -2.312 1.00 0.00 C ATOM 911 C SER A 58 13.029 7.771 -1.050 1.00 0.00 C ATOM 912 O SER A 58 13.105 7.250 0.060 1.00 0.00 O ATOM 913 CB SER A 58 14.791 7.216 -2.722 1.00 0.00 C ATOM 914 OG SER A 58 15.619 7.169 -1.567 1.00 0.00 O ATOM 0 H SER A 58 12.920 7.712 -4.230 1.00 0.00 H new ATOM 0 HA SER A 58 13.195 5.916 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.107 6.460 -3.441 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.887 8.184 -3.214 1.00 0.00 H new ATOM 0 HG SER A 58 15.944 6.254 -1.435 1.00 0.00 H new ATOM 920 N ALA A 59 12.685 9.043 -1.227 1.00 0.00 N ATOM 921 CA ALA A 59 12.367 9.902 -0.093 1.00 0.00 C ATOM 922 C ALA A 59 11.059 9.483 0.576 1.00 0.00 C ATOM 923 O ALA A 59 10.975 9.402 1.802 1.00 0.00 O ATOM 924 CB ALA A 59 12.248 11.342 -0.572 1.00 0.00 C ATOM 0 H ALA A 59 12.620 9.498 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 59 13.169 9.810 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.010 11.988 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.193 11.657 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.456 11.413 -1.317 1.00 0.00 H new ATOM 930 N GLU A 60 10.040 9.223 -0.238 1.00 0.00 N ATOM 931 CA GLU A 60 8.736 8.821 0.289 1.00 0.00 C ATOM 932 C GLU A 60 8.867 7.536 1.102 1.00 0.00 C ATOM 933 O GLU A 60 8.234 7.385 2.146 1.00 0.00 O ATOM 934 CB GLU A 60 7.757 8.595 -0.862 1.00 0.00 C ATOM 935 CG GLU A 60 7.464 9.928 -1.548 1.00 0.00 C ATOM 936 CD GLU A 60 6.543 9.707 -2.743 1.00 0.00 C ATOM 937 OE1 GLU A 60 6.162 8.570 -2.969 1.00 0.00 O ATOM 938 OE2 GLU A 60 6.231 10.677 -3.413 1.00 0.00 O1- ATOM 0 H GLU A 60 10.088 9.282 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 60 8.362 9.616 0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.178 7.889 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.833 8.156 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.999 10.616 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.395 10.390 -1.876 1.00 0.00 H new ATOM 945 N HIS A 61 9.696 6.613 0.617 1.00 0.00 N ATOM 946 CA HIS A 61 9.901 5.344 1.312 1.00 0.00 C ATOM 947 C HIS A 61 10.553 5.574 2.682 1.00 0.00 C ATOM 948 O HIS A 61 10.076 5.085 3.707 1.00 0.00 O ATOM 949 CB HIS A 61 10.783 4.412 0.427 1.00 0.00 C ATOM 950 CG HIS A 61 12.096 4.099 1.116 1.00 0.00 C ATOM 951 ND1 HIS A 61 12.149 3.419 2.319 1.00 0.00 N ATOM 952 CD2 HIS A 61 13.398 4.421 0.815 1.00 0.00 C ATOM 953 CE1 HIS A 61 13.436 3.355 2.698 1.00 0.00 C ATOM 954 NE2 HIS A 61 14.242 3.951 1.818 1.00 0.00 N ATOM 0 H HIS A 61 10.231 6.718 -0.245 1.00 0.00 H new ATOM 0 HA HIS A 61 8.936 4.867 1.483 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.247 3.486 0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.976 4.891 -0.533 1.00 0.00 H new ATOM 0 HD1 HIS A 61 11.353 3.035 2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.718 4.957 -0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 61 13.777 2.879 3.605 1.00 0.00 H new ATOM 962 N ALA A 62 11.664 6.301 2.674 1.00 0.00 N ATOM 963 CA ALA A 62 12.402 6.570 3.900 1.00 0.00 C ATOM 964 C ALA A 62 11.588 7.432 4.851 1.00 0.00 C ATOM 965 O ALA A 62 11.658 7.266 6.068 1.00 0.00 O ATOM 966 CB ALA A 62 13.728 7.260 3.574 1.00 0.00 C ATOM 0 H ALA A 62 12.072 6.713 1.835 1.00 0.00 H new ATOM 0 HA ALA A 62 12.603 5.618 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.272 7.457 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.326 6.614 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.532 8.201 3.061 1.00 0.00 H new ATOM 972 N ALA A 63 10.825 8.359 4.287 1.00 0.00 N ATOM 973 CA ALA A 63 10.008 9.253 5.098 1.00 0.00 C ATOM 974 C ALA A 63 9.030 8.456 5.954 1.00 0.00 C ATOM 975 O ALA A 63 8.927 8.671 7.159 1.00 0.00 O ATOM 976 CB ALA A 63 9.232 10.210 4.192 1.00 0.00 C ATOM 0 H ALA A 63 10.754 8.511 3.281 1.00 0.00 H new ATOM 0 HA ALA A 63 10.665 9.823 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.623 10.876 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.933 10.799 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.587 9.637 3.526 1.00 0.00 H new ATOM 982 N ALA A 64 8.320 7.530 5.326 1.00 0.00 N ATOM 983 CA ALA A 64 7.358 6.705 6.047 1.00 0.00 C ATOM 984 C ALA A 64 8.073 5.732 6.985 1.00 0.00 C ATOM 985 O ALA A 64 7.549 5.382 8.032 1.00 0.00 O ATOM 986 CB ALA A 64 6.470 5.938 5.069 1.00 0.00 C ATOM 0 H ALA A 64 8.389 7.331 4.328 1.00 0.00 H new ATOM 0 HA ALA A 64 6.730 7.364 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.758 5.328 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.928 6.644 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.089 5.294 4.444 1.00 0.00 H new ATOM 992 N LYS A 65 9.266 5.284 6.596 1.00 0.00 N ATOM 993 CA LYS A 65 10.021 4.339 7.414 1.00 0.00 C ATOM 994 C LYS A 65 10.212 4.879 8.833 1.00 0.00 C ATOM 995 O LYS A 65 10.025 4.155 9.811 1.00 0.00 O ATOM 996 CB LYS A 65 11.390 4.105 6.775 1.00 0.00 C ATOM 997 CG LYS A 65 12.142 3.024 7.554 1.00 0.00 C ATOM 998 CD LYS A 65 13.504 2.784 6.904 1.00 0.00 C ATOM 999 CE LYS A 65 14.249 1.698 7.683 1.00 0.00 C ATOM 1000 NZ LYS A 65 13.521 0.404 7.551 1.00 0.00 N1+ ATOM 0 H LYS A 65 9.726 5.558 5.728 1.00 0.00 H new ATOM 0 HA LYS A 65 9.465 3.403 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.270 3.801 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.964 5.031 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.271 3.332 8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.564 2.100 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.376 2.480 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.085 3.706 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.266 1.596 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.327 1.978 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.166 -0.381 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.717 0.389 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.171 0.300 6.577 1.00 0.00 H new ATOM 1014 N ILE A 66 10.584 6.143 8.945 1.00 0.00 N ATOM 1015 CA ILE A 66 10.780 6.750 10.251 1.00 0.00 C ATOM 1016 C ILE A 66 9.437 7.023 10.926 1.00 0.00 C ATOM 1017 O ILE A 66 9.317 6.950 12.149 1.00 0.00 O ATOM 1018 CB ILE A 66 11.579 8.046 10.102 1.00 0.00 C ATOM 1019 CG1 ILE A 66 10.937 8.925 9.029 1.00 0.00 C ATOM 1020 CG2 ILE A 66 13.016 7.717 9.694 1.00 0.00 C ATOM 1021 CD1 ILE A 66 11.619 10.293 9.008 1.00 0.00 C ATOM 0 H ILE A 66 10.755 6.765 8.155 1.00 0.00 H new ATOM 0 HA ILE A 66 11.339 6.058 10.881 1.00 0.00 H new ATOM 0 HB ILE A 66 11.582 8.578 11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.027 8.448 8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.872 9.042 9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.585 8.641 9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.478 7.093 10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.011 7.183 8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.159 10.917 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.506 10.771 9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.679 10.168 8.786 1.00 0.00 H new ATOM 1033 N ALA A 67 8.433 7.368 10.124 1.00 0.00 N ATOM 1034 CA ALA A 67 7.106 7.680 10.658 1.00 0.00 C ATOM 1035 C ALA A 67 6.412 6.434 11.209 1.00 0.00 C ATOM 1036 O ALA A 67 5.917 6.429 12.339 1.00 0.00 O ATOM 1037 CB ALA A 67 6.242 8.290 9.555 1.00 0.00 C ATOM 0 H ALA A 67 8.509 7.439 9.109 1.00 0.00 H new ATOM 0 HA ALA A 67 7.233 8.389 11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.254 8.522 9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.710 9.204 9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.145 7.579 8.734 1.00 0.00 H new ATOM 1043 N VAL A 68 6.379 5.382 10.400 1.00 0.00 N ATOM 1044 CA VAL A 68 5.744 4.134 10.799 1.00 0.00 C ATOM 1045 C VAL A 68 6.466 3.537 12.000 1.00 0.00 C ATOM 1046 O VAL A 68 5.851 2.895 12.849 1.00 0.00 O ATOM 1047 CB VAL A 68 5.759 3.135 9.634 1.00 0.00 C ATOM 1048 CG1 VAL A 68 7.193 2.670 9.365 1.00 0.00 C ATOM 1049 CG2 VAL A 68 4.889 1.929 9.991 1.00 0.00 C ATOM 0 H VAL A 68 6.785 5.369 9.464 1.00 0.00 H new ATOM 0 HA VAL A 68 4.710 4.343 11.074 1.00 0.00 H new ATOM 0 HB VAL A 68 5.367 3.618 8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.196 1.961 8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.812 3.530 9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.592 2.188 10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.897 1.217 9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.282 1.450 10.888 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.867 2.259 10.175 1.00 0.00 H new ATOM 1059 N ALA A 69 7.774 3.759 12.068 1.00 0.00 N ATOM 1060 CA ALA A 69 8.568 3.244 13.176 1.00 0.00 C ATOM 1061 C ALA A 69 8.219 3.974 14.471 1.00 0.00 C ATOM 1062 O ALA A 69 8.347 3.418 15.562 1.00 0.00 O ATOM 1063 CB ALA A 69 10.060 3.405 12.872 1.00 0.00 C ATOM 0 H ALA A 69 8.303 4.288 11.375 1.00 0.00 H new ATOM 0 HA ALA A 69 8.341 2.185 13.301 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.645 3.017 13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.309 2.852 11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.290 4.461 12.727 1.00 0.00 H new ATOM 1069 N SER A 70 7.780 5.222 14.340 1.00 0.00 N ATOM 1070 CA SER A 70 7.414 6.022 15.507 1.00 0.00 C ATOM 1071 C SER A 70 6.148 5.475 16.160 1.00 0.00 C ATOM 1072 O SER A 70 6.043 5.410 17.385 1.00 0.00 O ATOM 1073 CB SER A 70 7.196 7.478 15.091 1.00 0.00 C ATOM 1074 OG SER A 70 8.342 7.939 14.386 1.00 0.00 O ATOM 0 H SER A 70 7.669 5.700 13.446 1.00 0.00 H new ATOM 0 HA SER A 70 8.227 5.970 16.231 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.310 7.560 14.462 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.021 8.098 15.970 1.00 0.00 H new ATOM 0 HG SER A 70 8.092 8.694 13.813 1.00 0.00 H new ATOM 1080 N LEU A 71 5.189 5.088 15.326 1.00 0.00 N ATOM 1081 CA LEU A 71 3.924 4.547 15.819 1.00 0.00 C ATOM 1082 C LEU A 71 4.142 3.199 16.496 1.00 0.00 C ATOM 1083 O LEU A 71 3.418 2.831 17.419 1.00 0.00 O ATOM 1084 CB LEU A 71 2.929 4.392 14.668 1.00 0.00 C ATOM 1085 CG LEU A 71 2.825 5.714 13.901 1.00 0.00 C ATOM 1086 CD1 LEU A 71 1.846 5.544 12.735 1.00 0.00 C ATOM 1087 CD2 LEU A 71 2.331 6.830 14.838 1.00 0.00 C ATOM 0 H LEU A 71 5.261 5.138 14.310 1.00 0.00 H new ATOM 0 HA LEU A 71 3.518 5.245 16.551 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.253 3.595 13.998 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.951 4.106 15.055 1.00 0.00 H new ATOM 0 HG LEU A 71 3.808 5.988 13.517 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.768 6.482 12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.207 4.762 12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.865 5.267 13.121 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.260 7.766 14.284 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.349 6.566 15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.033 6.949 15.663 1.00 0.00 H new ATOM 1099 N THR A 72 5.146 2.468 16.026 1.00 0.00 N ATOM 1100 CA THR A 72 5.454 1.160 16.593 1.00 0.00 C ATOM 1101 C THR A 72 6.724 0.591 15.967 1.00 0.00 C ATOM 1102 O THR A 72 7.478 -0.049 16.682 1.00 0.00 O ATOM 1103 CB THR A 72 4.287 0.203 16.349 1.00 0.00 C ATOM 1104 OG1 THR A 72 4.701 -1.127 16.623 1.00 0.00 O ATOM 1105 CG2 THR A 72 3.836 0.311 14.892 1.00 0.00 C ATOM 1106 OXT THR A 72 6.922 0.800 14.781 1.00 0.00 O ATOM 0 H THR A 72 5.756 2.755 15.261 1.00 0.00 H new ATOM 0 HA THR A 72 5.613 1.274 17.665 1.00 0.00 H new ATOM 0 HB THR A 72 3.457 0.465 17.005 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.953 -1.741 16.468 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.004 -0.371 14.717 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.518 1.333 14.684 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.665 0.049 14.234 1.00 0.00 H new TER 1114 THR A 72