USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 783 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 69 CYS SG : rot 108:sc= 0.26! USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 170:sc= -1.03 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -1.32 K(o=-2.4,f=-5.6!) USER MOD Set 3.1: A 10 HIS : no HE2:sc= -9.77! C(o=-9.8!,f=-12!) USER MOD Set 3.2: A 13 MET CE :methyl 174:sc= -0.0561 (180deg=-0.211) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.264 X(o=-0.26,f=-0.57) USER MOD Single : A 14 SER OG : rot 180:sc= -0.942 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.04! X(o=-2!,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 83:sc= 0.397 USER MOD Single : A 36 SER OG : rot 74:sc= -0.495 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.42) USER MOD Single : A 49 SER OG : rot -170:sc= 0.609 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0228) USER MOD Single : A 58 SER OG : rot -44:sc= 2.26 USER MOD Single : A 63 THR OG1 : rot 165:sc=0.000993 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -170:sc= -2.96 (180deg=-3.41!) USER MOD Single : A 75 THR OG1 : rot 153:sc= 1.33 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -10:sc= 0.675 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -1.7 F(o=-4.5,f=-1.7) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -142:sc= -1.8! USER MOD Single : A 101 SER OG : rot -16:sc= 0.153! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.803 USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 -0.522 6.669 -8.503 1.00 0.00 N ATOM 67 CA TRP A 8 -1.001 5.943 -7.339 1.00 0.00 C ATOM 68 C TRP A 8 -1.131 6.935 -6.182 1.00 0.00 C ATOM 69 O TRP A 8 -2.112 6.904 -5.441 1.00 0.00 O ATOM 70 CB TRP A 8 -0.082 4.763 -7.014 1.00 0.00 C ATOM 71 CG TRP A 8 1.325 4.889 -7.603 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.796 4.346 -8.734 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.429 5.629 -7.043 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.119 4.681 -8.942 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.516 5.486 -7.881 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.507 6.395 -5.866 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.759 6.080 -7.633 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.757 6.981 -5.632 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.861 6.847 -6.466 1.00 0.00 C ATOM 0 HA TRP A 8 -1.980 5.506 -7.533 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.004 4.664 -5.931 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.540 3.846 -7.386 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.214 3.725 -9.399 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.699 4.391 -9.730 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.669 6.521 -5.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.594 5.954 -8.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.872 7.580 -4.740 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.793 7.332 -6.215 1.00 0.00 H new ATOM 90 N TYR A 9 -0.128 7.793 -6.065 1.00 0.00 N ATOM 91 CA TYR A 9 -0.119 8.794 -5.011 1.00 0.00 C ATOM 92 C TYR A 9 -1.431 9.580 -4.990 1.00 0.00 C ATOM 93 O TYR A 9 -1.670 10.421 -5.856 1.00 0.00 O ATOM 94 CB TYR A 9 1.028 9.748 -5.346 1.00 0.00 C ATOM 95 CG TYR A 9 1.370 10.729 -4.222 1.00 0.00 C ATOM 96 CD1 TYR A 9 2.277 10.371 -3.246 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.771 11.972 -4.186 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.598 11.295 -2.188 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.092 12.895 -3.128 1.00 0.00 C ATOM 100 CZ TYR A 9 1.990 12.511 -2.182 1.00 0.00 C ATOM 101 OH TYR A 9 2.294 13.383 -1.183 1.00 0.00 O ATOM 0 H TYR A 9 0.684 7.816 -6.682 1.00 0.00 H new ATOM 0 HA TYR A 9 0.000 8.323 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.916 9.163 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.767 10.313 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.746 9.399 -3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.062 12.252 -4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.306 11.028 -1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.630 13.870 -3.087 1.00 0.00 H new ATOM 0 HH TYR A 9 1.786 14.212 -1.306 1.00 0.00 H new ATOM 111 N HIS A 10 -2.249 9.279 -3.991 1.00 0.00 N ATOM 112 CA HIS A 10 -3.531 9.947 -3.846 1.00 0.00 C ATOM 113 C HIS A 10 -3.345 11.248 -3.063 1.00 0.00 C ATOM 114 O HIS A 10 -4.085 12.210 -3.265 1.00 0.00 O ATOM 115 CB HIS A 10 -4.561 9.013 -3.208 1.00 0.00 C ATOM 116 CG HIS A 10 -4.965 7.853 -4.086 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.055 7.901 -4.937 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.413 6.615 -4.237 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.147 6.739 -5.566 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.128 5.943 -5.131 1.00 0.00 N ATOM 0 H HIS A 10 -2.048 8.581 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.923 10.208 -4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.155 8.624 -2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.450 9.589 -2.953 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.682 8.697 -5.059 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.542 6.244 -3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.897 6.469 -6.295 1.00 0.00 H new ATOM 128 N GLY A 11 -2.353 11.237 -2.184 1.00 0.00 N ATOM 129 CA GLY A 11 -2.061 12.404 -1.370 1.00 0.00 C ATOM 130 C GLY A 11 -2.491 12.181 0.082 1.00 0.00 C ATOM 131 O GLY A 11 -1.900 11.367 0.790 1.00 0.00 O ATOM 0 H GLY A 11 -1.741 10.438 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.993 12.620 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.577 13.274 -1.776 1.00 0.00 H new ATOM 135 N HIS A 12 -3.516 12.919 0.482 1.00 0.00 N ATOM 136 CA HIS A 12 -4.031 12.812 1.837 1.00 0.00 C ATOM 137 C HIS A 12 -5.227 11.858 1.857 1.00 0.00 C ATOM 138 O HIS A 12 -6.365 12.279 1.657 1.00 0.00 O ATOM 139 CB HIS A 12 -4.365 14.194 2.401 1.00 0.00 C ATOM 140 CG HIS A 12 -3.420 14.661 3.483 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.124 15.070 3.221 1.00 0.00 N ATOM 142 CD2 HIS A 12 -3.597 14.780 4.830 1.00 0.00 C ATOM 143 CE1 HIS A 12 -1.555 15.416 4.366 1.00 0.00 C ATOM 144 NE2 HIS A 12 -2.469 15.235 5.362 1.00 0.00 N ATOM 0 H HIS A 12 -4.004 13.593 -0.108 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.265 12.393 2.490 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.356 14.919 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.379 14.177 2.801 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -1.682 15.100 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -4.501 14.544 5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.545 15.778 4.489 1.00 0.00 H new ATOM 152 N MET A 13 -4.928 10.590 2.100 1.00 0.00 N ATOM 153 CA MET A 13 -5.964 9.573 2.149 1.00 0.00 C ATOM 154 C MET A 13 -6.061 8.956 3.546 1.00 0.00 C ATOM 155 O MET A 13 -5.094 8.977 4.306 1.00 0.00 O ATOM 156 CB MET A 13 -5.652 8.477 1.128 1.00 0.00 C ATOM 157 CG MET A 13 -6.802 7.472 1.035 1.00 0.00 C ATOM 158 SD MET A 13 -6.464 6.275 -0.245 1.00 0.00 S ATOM 159 CE MET A 13 -7.192 7.105 -1.647 1.00 0.00 C ATOM 0 H MET A 13 -3.983 10.244 2.265 1.00 0.00 H new ATOM 0 HA MET A 13 -6.919 10.042 1.912 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.476 8.925 0.150 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.735 7.961 1.412 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.932 6.967 1.992 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.735 7.993 0.820 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.976 6.542 -2.555 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.271 7.173 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.774 8.108 -1.734 1.00 0.00 H new ATOM 169 N SER A 14 -7.237 8.423 3.842 1.00 0.00 N ATOM 170 CA SER A 14 -7.474 7.801 5.134 1.00 0.00 C ATOM 171 C SER A 14 -7.424 6.278 4.999 1.00 0.00 C ATOM 172 O SER A 14 -8.114 5.703 4.158 1.00 0.00 O ATOM 173 CB SER A 14 -8.818 8.239 5.718 1.00 0.00 C ATOM 174 OG SER A 14 -9.750 7.162 5.779 1.00 0.00 O ATOM 0 H SER A 14 -8.037 8.409 3.209 1.00 0.00 H new ATOM 0 HA SER A 14 -6.689 8.124 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.664 8.643 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.233 9.043 5.110 1.00 0.00 H new ATOM 0 HG SER A 14 -10.595 7.482 6.159 1.00 0.00 H new ATOM 180 N GLY A 15 -6.602 5.668 5.840 1.00 0.00 N ATOM 181 CA GLY A 15 -6.454 4.223 5.825 1.00 0.00 C ATOM 182 C GLY A 15 -7.805 3.535 5.623 1.00 0.00 C ATOM 183 O GLY A 15 -8.014 2.850 4.622 1.00 0.00 O ATOM 0 H GLY A 15 -6.032 6.148 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.771 3.932 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.009 3.890 6.763 1.00 0.00 H new ATOM 187 N GLY A 16 -8.688 3.741 6.589 1.00 0.00 N ATOM 188 CA GLY A 16 -10.014 3.149 6.529 1.00 0.00 C ATOM 189 C GLY A 16 -10.619 3.298 5.132 1.00 0.00 C ATOM 190 O GLY A 16 -11.247 2.372 4.621 1.00 0.00 O ATOM 0 H GLY A 16 -8.511 4.309 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.957 2.093 6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.663 3.627 7.263 1.00 0.00 H new ATOM 194 N GLN A 17 -10.409 4.471 4.553 1.00 0.00 N ATOM 195 CA GLN A 17 -10.925 4.754 3.225 1.00 0.00 C ATOM 196 C GLN A 17 -10.310 3.798 2.202 1.00 0.00 C ATOM 197 O GLN A 17 -11.019 3.005 1.583 1.00 0.00 O ATOM 198 CB GLN A 17 -10.670 6.212 2.836 1.00 0.00 C ATOM 199 CG GLN A 17 -11.962 6.892 2.380 1.00 0.00 C ATOM 200 CD GLN A 17 -11.853 8.413 2.499 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.052 8.995 3.553 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.525 9.023 1.364 1.00 0.00 N ATOM 0 H GLN A 17 -9.888 5.237 4.980 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.004 4.599 3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.252 6.751 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.931 6.255 2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.176 6.619 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.797 6.535 2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.372 8.476 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.426 10.038 1.341 1.00 0.00 H new ATOM 211 N ALA A 18 -8.998 3.903 2.054 1.00 0.00 N ATOM 212 CA ALA A 18 -8.279 3.057 1.117 1.00 0.00 C ATOM 213 C ALA A 18 -8.899 1.658 1.121 1.00 0.00 C ATOM 214 O ALA A 18 -9.230 1.119 0.066 1.00 0.00 O ATOM 215 CB ALA A 18 -6.794 3.039 1.481 1.00 0.00 C ATOM 0 H ALA A 18 -8.413 4.562 2.568 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.360 3.450 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.255 2.404 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.396 4.052 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.672 2.647 2.491 1.00 0.00 H new ATOM 221 N GLU A 19 -9.036 1.110 2.319 1.00 0.00 N ATOM 222 CA GLU A 19 -9.609 -0.216 2.475 1.00 0.00 C ATOM 223 C GLU A 19 -10.922 -0.321 1.696 1.00 0.00 C ATOM 224 O GLU A 19 -11.119 -1.262 0.928 1.00 0.00 O ATOM 225 CB GLU A 19 -9.820 -0.552 3.952 1.00 0.00 C ATOM 226 CG GLU A 19 -8.691 -1.442 4.478 1.00 0.00 C ATOM 227 CD GLU A 19 -9.250 -2.623 5.273 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.884 -3.489 4.633 1.00 0.00 O ATOM 229 OE2 GLU A 19 -9.030 -2.634 6.504 1.00 0.00 O ATOM 0 H GLU A 19 -8.760 1.560 3.192 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.907 -0.944 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.865 0.368 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.777 -1.058 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.095 -1.810 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.025 -0.855 5.111 1.00 0.00 H new ATOM 236 N THR A 20 -11.786 0.658 1.920 1.00 0.00 N ATOM 237 CA THR A 20 -13.075 0.687 1.249 1.00 0.00 C ATOM 238 C THR A 20 -12.892 0.965 -0.244 1.00 0.00 C ATOM 239 O THR A 20 -13.597 0.395 -1.076 1.00 0.00 O ATOM 240 CB THR A 20 -13.953 1.721 1.957 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.520 1.005 3.051 1.00 0.00 O ATOM 242 CG2 THR A 20 -15.162 2.135 1.116 1.00 0.00 C ATOM 0 H THR A 20 -11.619 1.437 2.557 1.00 0.00 H new ATOM 0 HA THR A 20 -13.575 -0.280 1.309 1.00 0.00 H new ATOM 0 HB THR A 20 -13.357 2.602 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.103 1.602 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.752 2.870 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.820 2.571 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.777 1.259 0.907 1.00 0.00 H new ATOM 250 N LEU A 21 -11.942 1.840 -0.539 1.00 0.00 N ATOM 251 CA LEU A 21 -11.658 2.200 -1.917 1.00 0.00 C ATOM 252 C LEU A 21 -11.145 0.969 -2.666 1.00 0.00 C ATOM 253 O LEU A 21 -11.765 0.521 -3.630 1.00 0.00 O ATOM 254 CB LEU A 21 -10.704 3.395 -1.973 1.00 0.00 C ATOM 255 CG LEU A 21 -11.308 4.754 -1.613 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.921 5.166 -0.191 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.922 5.816 -2.643 1.00 0.00 C ATOM 0 H LEU A 21 -11.359 2.310 0.153 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.568 2.524 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.870 3.200 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.292 3.458 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.394 4.663 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.363 6.135 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.288 4.422 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.836 5.235 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.364 6.772 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.837 5.914 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.289 5.520 -3.626 1.00 0.00 H new ATOM 269 N LEU A 22 -10.018 0.456 -2.195 1.00 0.00 N ATOM 270 CA LEU A 22 -9.415 -0.715 -2.808 1.00 0.00 C ATOM 271 C LEU A 22 -10.482 -1.796 -2.992 1.00 0.00 C ATOM 272 O LEU A 22 -10.538 -2.447 -4.034 1.00 0.00 O ATOM 273 CB LEU A 22 -8.202 -1.179 -1.999 1.00 0.00 C ATOM 274 CG LEU A 22 -6.950 -0.307 -2.107 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.989 -0.580 -0.948 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.272 -0.486 -3.467 1.00 0.00 C ATOM 0 H LEU A 22 -9.507 0.830 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.033 -0.472 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.491 -1.237 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.945 -2.190 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.255 0.737 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.108 0.053 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.487 -0.361 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.687 -1.627 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.385 0.145 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.983 -1.529 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.965 -0.202 -4.259 1.00 0.00 H new ATOM 288 N GLN A 23 -11.301 -1.954 -1.963 1.00 0.00 N ATOM 289 CA GLN A 23 -12.364 -2.945 -1.998 1.00 0.00 C ATOM 290 C GLN A 23 -13.440 -2.534 -3.005 1.00 0.00 C ATOM 291 O GLN A 23 -13.853 -3.338 -3.839 1.00 0.00 O ATOM 292 CB GLN A 23 -12.965 -3.153 -0.606 1.00 0.00 C ATOM 293 CG GLN A 23 -12.009 -3.938 0.293 1.00 0.00 C ATOM 294 CD GLN A 23 -12.582 -4.089 1.704 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.392 -3.299 2.160 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.118 -5.145 2.366 1.00 0.00 N ATOM 0 H GLN A 23 -11.250 -1.413 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.938 -3.896 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.184 -2.186 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.911 -3.687 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.827 -4.923 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.047 -3.428 0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.440 -5.766 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.440 -5.333 3.315 1.00 0.00 H new ATOM 305 N ALA A 24 -13.863 -1.284 -2.894 1.00 0.00 N ATOM 306 CA ALA A 24 -14.883 -0.757 -3.784 1.00 0.00 C ATOM 307 C ALA A 24 -14.553 -1.155 -5.224 1.00 0.00 C ATOM 308 O ALA A 24 -15.452 -1.414 -6.022 1.00 0.00 O ATOM 309 CB ALA A 24 -14.982 0.760 -3.607 1.00 0.00 C ATOM 0 H ALA A 24 -13.518 -0.620 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.858 -1.178 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.747 1.155 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.247 0.989 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.022 1.218 -3.845 1.00 0.00 H new ATOM 315 N LYS A 25 -13.260 -1.193 -5.512 1.00 0.00 N ATOM 316 CA LYS A 25 -12.799 -1.556 -6.841 1.00 0.00 C ATOM 317 C LYS A 25 -12.804 -3.079 -6.980 1.00 0.00 C ATOM 318 O LYS A 25 -13.514 -3.627 -7.821 1.00 0.00 O ATOM 319 CB LYS A 25 -11.440 -0.916 -7.131 1.00 0.00 C ATOM 320 CG LYS A 25 -11.394 -0.343 -8.548 1.00 0.00 C ATOM 321 CD LYS A 25 -11.647 1.166 -8.538 1.00 0.00 C ATOM 322 CE LYS A 25 -12.592 1.572 -9.671 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.155 2.848 -10.279 1.00 0.00 N ATOM 0 H LYS A 25 -12.517 -0.978 -4.847 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.477 -1.164 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.246 -0.124 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.651 -1.658 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.422 -0.549 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.142 -0.837 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.075 1.460 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.701 1.697 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.616 0.790 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.607 1.674 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.807 3.109 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.155 3.595 -9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.195 2.738 -10.664 1.00 0.00 H new ATOM 337 N GLY A 26 -12.004 -3.720 -6.141 1.00 0.00 N ATOM 338 CA GLY A 26 -11.907 -5.170 -6.159 1.00 0.00 C ATOM 339 C GLY A 26 -10.613 -5.624 -6.838 1.00 0.00 C ATOM 340 O GLY A 26 -10.045 -6.654 -6.475 1.00 0.00 O ATOM 0 H GLY A 26 -11.417 -3.262 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.941 -5.553 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.765 -5.589 -6.685 1.00 0.00 H new ATOM 344 N GLU A 27 -10.184 -4.835 -7.812 1.00 0.00 N ATOM 345 CA GLU A 27 -8.968 -5.143 -8.544 1.00 0.00 C ATOM 346 C GLU A 27 -7.911 -5.719 -7.600 1.00 0.00 C ATOM 347 O GLU A 27 -7.419 -5.022 -6.714 1.00 0.00 O ATOM 348 CB GLU A 27 -8.438 -3.906 -9.272 1.00 0.00 C ATOM 349 CG GLU A 27 -9.354 -3.519 -10.434 1.00 0.00 C ATOM 350 CD GLU A 27 -8.852 -2.251 -11.129 1.00 0.00 C ATOM 351 OE1 GLU A 27 -7.849 -1.693 -10.636 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.484 -1.870 -12.138 1.00 0.00 O ATOM 0 H GLU A 27 -10.657 -3.982 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.202 -5.895 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.360 -3.074 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.433 -4.103 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.402 -4.337 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.367 -3.359 -10.065 1.00 0.00 H new ATOM 359 N PRO A 28 -7.584 -7.019 -7.827 1.00 0.00 N ATOM 360 CA PRO A 28 -6.594 -7.697 -7.007 1.00 0.00 C ATOM 361 C PRO A 28 -5.179 -7.242 -7.368 1.00 0.00 C ATOM 362 O PRO A 28 -4.857 -7.075 -8.544 1.00 0.00 O ATOM 363 CB PRO A 28 -6.824 -9.178 -7.257 1.00 0.00 C ATOM 364 CG PRO A 28 -7.616 -9.265 -8.551 1.00 0.00 C ATOM 365 CD PRO A 28 -8.146 -7.876 -8.867 1.00 0.00 C ATOM 0 HA PRO A 28 -6.696 -7.465 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.877 -9.711 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.373 -9.633 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.984 -9.626 -9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.438 -9.973 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.835 -7.550 -9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.236 -7.855 -8.851 1.00 0.00 H new ATOM 373 N TRP A 29 -4.371 -7.054 -6.335 1.00 0.00 N ATOM 374 CA TRP A 29 -2.997 -6.622 -6.529 1.00 0.00 C ATOM 375 C TRP A 29 -3.016 -5.138 -6.902 1.00 0.00 C ATOM 376 O TRP A 29 -2.361 -4.726 -7.858 1.00 0.00 O ATOM 377 CB TRP A 29 -2.290 -7.491 -7.571 1.00 0.00 C ATOM 378 CG TRP A 29 -2.419 -8.994 -7.318 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.782 -9.949 -8.186 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.169 -9.681 -6.074 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.784 -11.196 -7.595 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.400 -11.028 -6.270 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.761 -9.182 -4.825 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.249 -11.986 -5.260 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.616 -10.152 -3.826 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.844 -11.511 -4.007 1.00 0.00 C ATOM 0 H TRP A 29 -4.641 -7.193 -5.361 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.422 -6.743 -5.611 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.697 -7.262 -8.556 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.233 -7.226 -7.593 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.040 -9.765 -9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.023 -12.078 -8.047 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.574 -8.133 -4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.435 -13.035 -5.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.305 -9.821 -2.846 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.709 -12.198 -3.184 1.00 0.00 H new ATOM 397 N THR A 30 -3.775 -4.376 -6.128 1.00 0.00 N ATOM 398 CA THR A 30 -3.889 -2.947 -6.365 1.00 0.00 C ATOM 399 C THR A 30 -3.303 -2.163 -5.189 1.00 0.00 C ATOM 400 O THR A 30 -3.817 -2.234 -4.074 1.00 0.00 O ATOM 401 CB THR A 30 -5.360 -2.628 -6.635 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.748 -3.583 -7.619 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.549 -1.278 -7.331 1.00 0.00 C ATOM 0 H THR A 30 -4.317 -4.721 -5.336 1.00 0.00 H new ATOM 0 HA THR A 30 -3.311 -2.644 -7.238 1.00 0.00 H new ATOM 0 HB THR A 30 -5.910 -2.631 -5.694 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.979 -4.429 -7.181 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.611 -1.101 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.144 -0.485 -6.703 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.027 -1.286 -8.288 1.00 0.00 H new ATOM 411 N PHE A 31 -2.235 -1.434 -5.478 1.00 0.00 N ATOM 412 CA PHE A 31 -1.574 -0.638 -4.459 1.00 0.00 C ATOM 413 C PHE A 31 -1.845 0.854 -4.666 1.00 0.00 C ATOM 414 O PHE A 31 -2.318 1.261 -5.726 1.00 0.00 O ATOM 415 CB PHE A 31 -0.072 -0.895 -4.594 1.00 0.00 C ATOM 416 CG PHE A 31 0.610 -0.049 -5.672 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.493 -0.393 -6.982 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.332 1.048 -5.318 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.125 0.393 -7.982 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.965 1.834 -6.318 1.00 0.00 C ATOM 421 CZ PHE A 31 1.848 1.489 -7.628 1.00 0.00 C ATOM 0 H PHE A 31 -1.811 -1.378 -6.404 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.947 -0.914 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.407 -0.698 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.087 -1.949 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.081 -1.264 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.424 1.321 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.031 0.120 -9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.539 2.705 -6.038 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.330 2.086 -8.388 1.00 0.00 H new ATOM 431 N LEU A 32 -1.533 1.628 -3.638 1.00 0.00 N ATOM 432 CA LEU A 32 -1.736 3.065 -3.694 1.00 0.00 C ATOM 433 C LEU A 32 -0.944 3.733 -2.569 1.00 0.00 C ATOM 434 O LEU A 32 -0.941 3.252 -1.437 1.00 0.00 O ATOM 435 CB LEU A 32 -3.230 3.396 -3.674 1.00 0.00 C ATOM 436 CG LEU A 32 -3.878 3.487 -2.291 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.421 4.746 -1.552 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.403 3.405 -2.394 1.00 0.00 C ATOM 0 H LEU A 32 -1.141 1.287 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.356 3.466 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.378 4.347 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.758 2.637 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.548 2.631 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.897 4.786 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.338 4.723 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.702 5.628 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.839 3.472 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.771 4.228 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.686 2.457 -2.851 1.00 0.00 H new ATOM 450 N VAL A 33 -0.290 4.831 -2.919 1.00 0.00 N ATOM 451 CA VAL A 33 0.505 5.570 -1.953 1.00 0.00 C ATOM 452 C VAL A 33 -0.322 6.734 -1.402 1.00 0.00 C ATOM 453 O VAL A 33 -1.039 7.399 -2.148 1.00 0.00 O ATOM 454 CB VAL A 33 1.820 6.020 -2.592 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.827 6.455 -1.525 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.403 4.920 -3.480 1.00 0.00 C ATOM 0 H VAL A 33 -0.295 5.227 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 33 0.771 4.933 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 33 1.608 6.882 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.753 6.770 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.414 7.286 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.032 5.619 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.337 5.266 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.593 4.030 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.695 4.678 -4.272 1.00 0.00 H new ATOM 466 N ARG A 34 -0.195 6.944 -0.100 1.00 0.00 N ATOM 467 CA ARG A 34 -0.921 8.016 0.559 1.00 0.00 C ATOM 468 C ARG A 34 -0.082 8.605 1.695 1.00 0.00 C ATOM 469 O ARG A 34 0.845 7.962 2.185 1.00 0.00 O ATOM 470 CB ARG A 34 -2.251 7.513 1.124 1.00 0.00 C ATOM 471 CG ARG A 34 -2.026 6.394 2.143 1.00 0.00 C ATOM 472 CD ARG A 34 -3.332 5.656 2.444 1.00 0.00 C ATOM 473 NE ARG A 34 -3.213 4.917 3.721 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.381 5.472 4.928 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.676 6.775 5.032 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.254 4.724 6.033 1.00 0.00 N ATOM 0 H ARG A 34 0.400 6.390 0.516 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.123 8.787 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.785 8.338 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.881 7.149 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.287 5.691 1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.620 6.812 3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.156 6.367 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.563 4.964 1.634 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.989 3.923 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.773 7.345 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.804 7.197 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.029 3.732 5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.382 5.147 6.952 1.00 0.00 H new ATOM 490 N GLU A 35 -0.438 9.822 2.081 1.00 0.00 N ATOM 491 CA GLU A 35 0.271 10.505 3.150 1.00 0.00 C ATOM 492 C GLU A 35 -0.267 10.061 4.511 1.00 0.00 C ATOM 493 O GLU A 35 -1.478 9.960 4.702 1.00 0.00 O ATOM 494 CB GLU A 35 0.172 12.023 2.990 1.00 0.00 C ATOM 495 CG GLU A 35 1.289 12.554 2.089 1.00 0.00 C ATOM 496 CD GLU A 35 1.097 14.044 1.797 1.00 0.00 C ATOM 497 OE1 GLU A 35 0.058 14.372 1.183 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.992 14.820 2.193 1.00 0.00 O ATOM 0 H GLU A 35 -1.208 10.352 1.673 1.00 0.00 H new ATOM 0 HA GLU A 35 1.325 10.234 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.797 12.285 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.231 12.500 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.255 12.395 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.303 11.995 1.153 1.00 0.00 H new ATOM 505 N SER A 36 0.660 9.807 5.423 1.00 0.00 N ATOM 506 CA SER A 36 0.294 9.375 6.762 1.00 0.00 C ATOM 507 C SER A 36 -0.338 10.537 7.531 1.00 0.00 C ATOM 508 O SER A 36 0.248 11.614 7.629 1.00 0.00 O ATOM 509 CB SER A 36 1.510 8.837 7.519 1.00 0.00 C ATOM 510 OG SER A 36 2.532 9.821 7.656 1.00 0.00 O ATOM 0 H SER A 36 1.664 9.892 5.261 1.00 0.00 H new ATOM 0 HA SER A 36 -0.432 8.567 6.675 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.200 8.496 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.910 7.970 6.993 1.00 0.00 H new ATOM 0 HG SER A 36 2.262 10.482 8.328 1.00 0.00 H new ATOM 516 N LEU A 37 -1.526 10.279 8.058 1.00 0.00 N ATOM 517 CA LEU A 37 -2.245 11.289 8.815 1.00 0.00 C ATOM 518 C LEU A 37 -1.940 11.117 10.305 1.00 0.00 C ATOM 519 O LEU A 37 -1.719 12.097 11.014 1.00 0.00 O ATOM 520 CB LEU A 37 -3.738 11.246 8.484 1.00 0.00 C ATOM 521 CG LEU A 37 -4.185 12.095 7.292 1.00 0.00 C ATOM 522 CD1 LEU A 37 -3.626 11.537 5.982 1.00 0.00 C ATOM 523 CD2 LEU A 37 -5.709 12.227 7.255 1.00 0.00 C ATOM 0 H LEU A 37 -2.009 9.384 7.975 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.909 12.287 8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.018 10.210 8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.295 11.569 9.364 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.777 13.099 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.958 12.158 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.537 11.537 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.984 10.517 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.001 12.835 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.158 11.238 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.055 12.703 8.173 1.00 0.00 H new ATOM 535 N SER A 38 -1.937 9.863 10.734 1.00 0.00 N ATOM 536 CA SER A 38 -1.663 9.550 12.126 1.00 0.00 C ATOM 537 C SER A 38 -0.155 9.399 12.341 1.00 0.00 C ATOM 538 O SER A 38 0.339 9.593 13.451 1.00 0.00 O ATOM 539 CB SER A 38 -2.391 8.275 12.557 1.00 0.00 C ATOM 540 OG SER A 38 -3.658 8.556 13.144 1.00 0.00 O ATOM 0 H SER A 38 -2.120 9.053 10.142 1.00 0.00 H new ATOM 0 HA SER A 38 -2.031 10.372 12.741 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.528 7.626 11.692 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.774 7.729 13.271 1.00 0.00 H new ATOM 0 HG SER A 38 -4.092 7.716 13.404 1.00 0.00 H new ATOM 546 N GLN A 39 0.533 9.054 11.263 1.00 0.00 N ATOM 547 CA GLN A 39 1.973 8.875 11.319 1.00 0.00 C ATOM 548 C GLN A 39 2.685 10.173 10.932 1.00 0.00 C ATOM 549 O GLN A 39 2.287 10.843 9.981 1.00 0.00 O ATOM 550 CB GLN A 39 2.418 7.717 10.423 1.00 0.00 C ATOM 551 CG GLN A 39 3.281 6.722 11.201 1.00 0.00 C ATOM 552 CD GLN A 39 2.529 5.411 11.439 1.00 0.00 C ATOM 553 OE1 GLN A 39 2.164 4.699 10.518 1.00 0.00 O ATOM 554 NE2 GLN A 39 2.317 5.134 12.722 1.00 0.00 N ATOM 0 H GLN A 39 0.119 8.894 10.345 1.00 0.00 H new ATOM 0 HA GLN A 39 2.248 8.624 12.343 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.543 7.207 10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.980 8.105 9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.200 6.523 10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.571 7.157 12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.649 5.774 13.444 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.822 4.282 12.985 1.00 0.00 H new ATOM 563 N PRO A 40 3.754 10.496 11.709 1.00 0.00 N ATOM 564 CA PRO A 40 4.525 11.701 11.457 1.00 0.00 C ATOM 565 C PRO A 40 5.424 11.531 10.230 1.00 0.00 C ATOM 566 O PRO A 40 6.247 10.617 10.182 1.00 0.00 O ATOM 567 CB PRO A 40 5.307 11.944 12.737 1.00 0.00 C ATOM 568 CG PRO A 40 5.303 10.620 13.484 1.00 0.00 C ATOM 569 CD PRO A 40 4.254 9.726 12.843 1.00 0.00 C ATOM 0 HA PRO A 40 3.897 12.560 11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.325 12.266 12.518 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.845 12.731 13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.286 10.151 13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.077 10.777 14.539 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.685 8.779 12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.454 9.489 13.544 1.00 0.00 H new ATOM 577 N GLY A 41 5.237 12.424 9.270 1.00 0.00 N ATOM 578 CA GLY A 41 6.021 12.383 8.047 1.00 0.00 C ATOM 579 C GLY A 41 6.266 10.941 7.601 1.00 0.00 C ATOM 580 O GLY A 41 7.412 10.510 7.484 1.00 0.00 O ATOM 0 H GLY A 41 4.554 13.180 9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.501 12.928 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.975 12.885 8.205 1.00 0.00 H new ATOM 584 N ASP A 42 5.171 10.234 7.363 1.00 0.00 N ATOM 585 CA ASP A 42 5.253 8.849 6.932 1.00 0.00 C ATOM 586 C ASP A 42 4.224 8.601 5.828 1.00 0.00 C ATOM 587 O ASP A 42 3.484 9.508 5.449 1.00 0.00 O ATOM 588 CB ASP A 42 4.946 7.894 8.087 1.00 0.00 C ATOM 589 CG ASP A 42 5.943 6.746 8.259 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.069 6.889 7.735 1.00 0.00 O ATOM 591 OD2 ASP A 42 5.557 5.752 8.911 1.00 0.00 O ATOM 0 H ASP A 42 4.222 10.595 7.461 1.00 0.00 H new ATOM 0 HA ASP A 42 6.266 8.667 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.912 8.467 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.952 7.473 7.936 1.00 0.00 H new ATOM 596 N PHE A 43 4.209 7.369 5.342 1.00 0.00 N ATOM 597 CA PHE A 43 3.283 6.990 4.289 1.00 0.00 C ATOM 598 C PHE A 43 2.811 5.545 4.466 1.00 0.00 C ATOM 599 O PHE A 43 3.481 4.745 5.117 1.00 0.00 O ATOM 600 CB PHE A 43 4.039 7.108 2.964 1.00 0.00 C ATOM 601 CG PHE A 43 4.590 8.507 2.684 1.00 0.00 C ATOM 602 CD1 PHE A 43 5.620 8.994 3.427 1.00 0.00 C ATOM 603 CD2 PHE A 43 4.050 9.265 1.693 1.00 0.00 C ATOM 604 CE1 PHE A 43 6.132 10.293 3.167 1.00 0.00 C ATOM 605 CE2 PHE A 43 4.561 10.564 1.433 1.00 0.00 C ATOM 606 CZ PHE A 43 5.591 11.051 2.176 1.00 0.00 C ATOM 0 H PHE A 43 4.824 6.619 5.659 1.00 0.00 H new ATOM 0 HA PHE A 43 2.406 7.636 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.865 6.397 2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.372 6.822 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.049 8.393 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.232 8.879 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.951 10.679 3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.132 11.165 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.979 12.039 1.979 1.00 0.00 H new ATOM 616 N VAL A 44 1.661 5.256 3.876 1.00 0.00 N ATOM 617 CA VAL A 44 1.091 3.921 3.960 1.00 0.00 C ATOM 618 C VAL A 44 0.882 3.370 2.549 1.00 0.00 C ATOM 619 O VAL A 44 0.508 4.109 1.639 1.00 0.00 O ATOM 620 CB VAL A 44 -0.196 3.953 4.786 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.818 2.559 4.887 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.058 4.542 6.176 1.00 0.00 C ATOM 0 H VAL A 44 1.108 5.923 3.338 1.00 0.00 H new ATOM 0 HA VAL A 44 1.775 3.246 4.474 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.907 4.601 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.732 2.610 5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.053 2.192 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.113 1.880 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.873 4.553 6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.794 3.933 6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.434 5.560 6.077 1.00 0.00 H new ATOM 632 N LEU A 45 1.134 2.077 2.410 1.00 0.00 N ATOM 633 CA LEU A 45 0.978 1.418 1.124 1.00 0.00 C ATOM 634 C LEU A 45 -0.113 0.350 1.232 1.00 0.00 C ATOM 635 O LEU A 45 0.138 -0.752 1.717 1.00 0.00 O ATOM 636 CB LEU A 45 2.322 0.876 0.633 1.00 0.00 C ATOM 637 CG LEU A 45 2.265 -0.074 -0.565 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.416 0.516 -1.693 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.672 -0.443 -1.039 1.00 0.00 C ATOM 0 H LEU A 45 1.445 1.468 3.167 1.00 0.00 H new ATOM 0 HA LEU A 45 0.653 2.132 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.958 1.721 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.806 0.357 1.460 1.00 0.00 H new ATOM 0 HG LEU A 45 1.780 -0.997 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.392 -0.179 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.401 0.686 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.849 1.462 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.603 -1.119 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.205 0.461 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.212 -0.934 -0.229 1.00 0.00 H new ATOM 651 N SER A 46 -1.300 0.715 0.772 1.00 0.00 N ATOM 652 CA SER A 46 -2.430 -0.198 0.810 1.00 0.00 C ATOM 653 C SER A 46 -2.504 -0.994 -0.494 1.00 0.00 C ATOM 654 O SER A 46 -2.815 -0.440 -1.547 1.00 0.00 O ATOM 655 CB SER A 46 -3.740 0.557 1.046 1.00 0.00 C ATOM 656 OG SER A 46 -4.713 -0.254 1.699 1.00 0.00 O ATOM 0 H SER A 46 -1.504 1.630 0.371 1.00 0.00 H new ATOM 0 HA SER A 46 -2.284 -0.888 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.544 1.444 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.137 0.902 0.091 1.00 0.00 H new ATOM 0 HG SER A 46 -5.470 0.303 1.976 1.00 0.00 H new ATOM 662 N VAL A 47 -2.214 -2.282 -0.381 1.00 0.00 N ATOM 663 CA VAL A 47 -2.244 -3.160 -1.538 1.00 0.00 C ATOM 664 C VAL A 47 -3.384 -4.168 -1.379 1.00 0.00 C ATOM 665 O VAL A 47 -3.471 -4.858 -0.365 1.00 0.00 O ATOM 666 CB VAL A 47 -0.879 -3.827 -1.725 1.00 0.00 C ATOM 667 CG1 VAL A 47 -0.916 -4.840 -2.871 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.215 -2.781 -1.952 1.00 0.00 C ATOM 0 H VAL A 47 -1.957 -2.738 0.494 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.439 -2.588 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.641 -4.367 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.066 -5.299 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.654 -5.611 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.186 -4.332 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.175 -3.281 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.016 -2.201 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.266 -2.115 -1.090 1.00 0.00 H new ATOM 678 N LEU A 48 -4.231 -4.220 -2.397 1.00 0.00 N ATOM 679 CA LEU A 48 -5.362 -5.132 -2.383 1.00 0.00 C ATOM 680 C LEU A 48 -4.878 -6.544 -2.715 1.00 0.00 C ATOM 681 O LEU A 48 -4.254 -6.762 -3.753 1.00 0.00 O ATOM 682 CB LEU A 48 -6.469 -4.627 -3.311 1.00 0.00 C ATOM 683 CG LEU A 48 -7.855 -5.240 -3.098 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.374 -4.946 -1.689 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.832 -4.774 -4.179 1.00 0.00 C ATOM 0 H LEU A 48 -4.157 -3.645 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.806 -5.173 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.550 -3.546 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.165 -4.814 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.768 -6.323 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.360 -5.393 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.689 -5.368 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.443 -3.868 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.809 -5.224 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.921 -3.688 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.463 -5.077 -5.159 1.00 0.00 H new ATOM 697 N SER A 49 -5.184 -7.468 -1.816 1.00 0.00 N ATOM 698 CA SER A 49 -4.788 -8.853 -2.001 1.00 0.00 C ATOM 699 C SER A 49 -5.861 -9.604 -2.791 1.00 0.00 C ATOM 700 O SER A 49 -6.978 -9.113 -2.948 1.00 0.00 O ATOM 701 CB SER A 49 -4.541 -9.540 -0.656 1.00 0.00 C ATOM 702 OG SER A 49 -5.678 -10.279 -0.218 1.00 0.00 O ATOM 0 H SER A 49 -5.702 -7.284 -0.957 1.00 0.00 H new ATOM 0 HA SER A 49 -3.854 -8.869 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.685 -10.209 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.285 -8.790 0.093 1.00 0.00 H new ATOM 0 HG SER A 49 -5.542 -10.570 0.708 1.00 0.00 H new ATOM 708 N ASP A 50 -5.485 -10.782 -3.268 1.00 0.00 N ATOM 709 CA ASP A 50 -6.402 -11.605 -4.038 1.00 0.00 C ATOM 710 C ASP A 50 -7.034 -12.653 -3.119 1.00 0.00 C ATOM 711 O ASP A 50 -7.628 -13.620 -3.593 1.00 0.00 O ATOM 712 CB ASP A 50 -5.671 -12.340 -5.162 1.00 0.00 C ATOM 713 CG ASP A 50 -4.952 -13.621 -4.736 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.598 -13.703 -3.540 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.772 -14.491 -5.616 1.00 0.00 O ATOM 0 H ASP A 50 -4.558 -11.186 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.161 -10.952 -4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.391 -12.588 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.942 -11.662 -5.605 1.00 0.00 H new ATOM 720 N GLN A 51 -6.883 -12.426 -1.823 1.00 0.00 N ATOM 721 CA GLN A 51 -7.431 -13.339 -0.834 1.00 0.00 C ATOM 722 C GLN A 51 -8.681 -12.736 -0.190 1.00 0.00 C ATOM 723 O GLN A 51 -8.593 -11.752 0.542 1.00 0.00 O ATOM 724 CB GLN A 51 -6.385 -13.692 0.225 1.00 0.00 C ATOM 725 CG GLN A 51 -5.234 -14.493 -0.387 1.00 0.00 C ATOM 726 CD GLN A 51 -5.387 -15.987 -0.090 1.00 0.00 C ATOM 727 OE1 GLN A 51 -6.149 -16.697 -0.725 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.623 -16.421 0.907 1.00 0.00 N ATOM 0 H GLN A 51 -6.389 -11.623 -1.434 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.715 -14.262 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.997 -12.779 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.851 -14.270 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.208 -14.334 -1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.285 -14.135 0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.007 -15.772 1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.653 -17.403 1.182 1.00 0.00 H new ATOM 737 N PRO A 52 -9.846 -13.368 -0.495 1.00 0.00 N ATOM 738 CA PRO A 52 -11.112 -12.904 0.045 1.00 0.00 C ATOM 739 C PRO A 52 -11.251 -13.286 1.520 1.00 0.00 C ATOM 740 O PRO A 52 -10.432 -14.034 2.052 1.00 0.00 O ATOM 741 CB PRO A 52 -12.174 -13.543 -0.836 1.00 0.00 C ATOM 742 CG PRO A 52 -11.488 -14.702 -1.541 1.00 0.00 C ATOM 743 CD PRO A 52 -9.988 -14.536 -1.360 1.00 0.00 C ATOM 0 HA PRO A 52 -11.202 -11.818 0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.017 -13.892 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.568 -12.826 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.820 -15.653 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.746 -14.711 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.544 -15.422 -0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.488 -14.383 -2.317 1.00 0.00 H new ATOM 751 N LYS A 53 -12.295 -12.754 2.140 1.00 0.00 N ATOM 752 CA LYS A 53 -12.552 -13.030 3.544 1.00 0.00 C ATOM 753 C LYS A 53 -13.473 -14.246 3.660 1.00 0.00 C ATOM 754 O LYS A 53 -13.238 -15.131 4.481 1.00 0.00 O ATOM 755 CB LYS A 53 -13.090 -11.781 4.245 1.00 0.00 C ATOM 756 CG LYS A 53 -12.086 -10.629 4.161 1.00 0.00 C ATOM 757 CD LYS A 53 -12.540 -9.443 5.014 1.00 0.00 C ATOM 758 CE LYS A 53 -13.957 -9.007 4.638 1.00 0.00 C ATOM 759 NZ LYS A 53 -14.930 -9.477 5.649 1.00 0.00 N ATOM 0 H LYS A 53 -12.972 -12.134 1.696 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.625 -13.282 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.033 -11.481 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.301 -12.009 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.107 -10.970 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.975 -10.314 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.508 -9.716 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.851 -8.609 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.001 -7.921 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.219 -9.408 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.885 -9.482 5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.679 -10.440 5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.912 -8.840 6.471 1.00 0.00 H new ATOM 773 N ALA A 54 -14.502 -14.250 2.826 1.00 0.00 N ATOM 774 CA ALA A 54 -15.460 -15.343 2.825 1.00 0.00 C ATOM 775 C ALA A 54 -15.381 -16.084 1.489 1.00 0.00 C ATOM 776 O ALA A 54 -15.690 -17.272 1.414 1.00 0.00 O ATOM 777 CB ALA A 54 -16.861 -14.794 3.105 1.00 0.00 C ATOM 0 H ALA A 54 -14.694 -13.514 2.146 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.226 -16.059 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.580 -15.613 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.872 -14.303 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.131 -14.074 2.332 1.00 0.00 H new ATOM 783 N GLY A 55 -14.964 -15.351 0.466 1.00 0.00 N ATOM 784 CA GLY A 55 -14.840 -15.924 -0.864 1.00 0.00 C ATOM 785 C GLY A 55 -15.558 -15.059 -1.902 1.00 0.00 C ATOM 786 O GLY A 55 -15.349 -13.848 -1.959 1.00 0.00 O ATOM 0 H GLY A 55 -14.708 -14.366 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.786 -16.016 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.259 -16.930 -0.871 1.00 0.00 H new ATOM 790 N PRO A 56 -16.411 -15.732 -2.720 1.00 0.00 N ATOM 791 CA PRO A 56 -17.161 -15.039 -3.753 1.00 0.00 C ATOM 792 C PRO A 56 -18.316 -14.238 -3.149 1.00 0.00 C ATOM 793 O PRO A 56 -19.277 -14.815 -2.641 1.00 0.00 O ATOM 794 CB PRO A 56 -17.627 -16.132 -4.701 1.00 0.00 C ATOM 795 CG PRO A 56 -17.521 -17.432 -3.922 1.00 0.00 C ATOM 796 CD PRO A 56 -16.684 -17.166 -2.682 1.00 0.00 C ATOM 0 HA PRO A 56 -16.561 -14.299 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.652 -15.955 -5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.007 -16.162 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.512 -17.792 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.060 -18.207 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.221 -17.443 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.761 -17.745 -2.695 1.00 0.00 H new ATOM 804 N GLY A 57 -18.185 -12.922 -3.224 1.00 0.00 N ATOM 805 CA GLY A 57 -19.206 -12.036 -2.691 1.00 0.00 C ATOM 806 C GLY A 57 -18.666 -11.223 -1.513 1.00 0.00 C ATOM 807 O GLY A 57 -19.352 -10.344 -0.993 1.00 0.00 O ATOM 0 H GLY A 57 -17.387 -12.447 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.552 -11.362 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.068 -12.621 -2.369 1.00 0.00 H new ATOM 811 N SER A 58 -17.440 -11.544 -1.126 1.00 0.00 N ATOM 812 CA SER A 58 -16.799 -10.854 -0.019 1.00 0.00 C ATOM 813 C SER A 58 -15.645 -9.994 -0.537 1.00 0.00 C ATOM 814 O SER A 58 -15.062 -10.292 -1.578 1.00 0.00 O ATOM 815 CB SER A 58 -16.293 -11.846 1.030 1.00 0.00 C ATOM 816 OG SER A 58 -15.127 -12.538 0.591 1.00 0.00 O ATOM 0 H SER A 58 -16.873 -12.273 -1.559 1.00 0.00 H new ATOM 0 HA SER A 58 -17.539 -10.210 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.072 -11.314 1.955 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.079 -12.567 1.256 1.00 0.00 H new ATOM 0 HG SER A 58 -15.248 -12.827 -0.337 1.00 0.00 H new ATOM 822 N PRO A 59 -15.341 -8.915 0.234 1.00 0.00 N ATOM 823 CA PRO A 59 -14.267 -8.010 -0.135 1.00 0.00 C ATOM 824 C PRO A 59 -12.900 -8.638 0.144 1.00 0.00 C ATOM 825 O PRO A 59 -12.729 -9.347 1.134 1.00 0.00 O ATOM 826 CB PRO A 59 -14.518 -6.749 0.675 1.00 0.00 C ATOM 827 CG PRO A 59 -15.446 -7.160 1.808 1.00 0.00 C ATOM 828 CD PRO A 59 -16.010 -8.531 1.474 1.00 0.00 C ATOM 0 HA PRO A 59 -14.255 -7.786 -1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.584 -6.342 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.973 -5.973 0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.904 -7.190 2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.251 -6.434 1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.808 -9.247 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.092 -8.494 1.345 1.00 0.00 H new ATOM 836 N LEU A 60 -11.961 -8.354 -0.746 1.00 0.00 N ATOM 837 CA LEU A 60 -10.614 -8.882 -0.608 1.00 0.00 C ATOM 838 C LEU A 60 -9.870 -8.092 0.471 1.00 0.00 C ATOM 839 O LEU A 60 -9.814 -6.865 0.419 1.00 0.00 O ATOM 840 CB LEU A 60 -9.902 -8.895 -1.962 1.00 0.00 C ATOM 841 CG LEU A 60 -10.498 -9.821 -3.024 1.00 0.00 C ATOM 842 CD1 LEU A 60 -9.872 -9.558 -4.395 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.369 -11.288 -2.608 1.00 0.00 C ATOM 0 H LEU A 60 -12.106 -7.765 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.644 -9.921 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.896 -7.879 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.863 -9.181 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.562 -9.602 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.313 -10.230 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.059 -8.525 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.797 -9.732 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.800 -11.925 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.316 -11.538 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.898 -11.448 -1.669 1.00 0.00 H new ATOM 855 N ARG A 61 -9.316 -8.829 1.422 1.00 0.00 N ATOM 856 CA ARG A 61 -8.577 -8.213 2.511 1.00 0.00 C ATOM 857 C ARG A 61 -7.635 -7.136 1.971 1.00 0.00 C ATOM 858 O ARG A 61 -7.310 -7.128 0.784 1.00 0.00 O ATOM 859 CB ARG A 61 -7.762 -9.254 3.282 1.00 0.00 C ATOM 860 CG ARG A 61 -8.395 -9.547 4.644 1.00 0.00 C ATOM 861 CD ARG A 61 -7.593 -10.605 5.405 1.00 0.00 C ATOM 862 NE ARG A 61 -7.457 -10.212 6.825 1.00 0.00 N ATOM 863 CZ ARG A 61 -6.732 -10.889 7.726 1.00 0.00 C ATOM 864 NH1 ARG A 61 -6.072 -11.996 7.359 1.00 0.00 N ATOM 865 NH2 ARG A 61 -6.666 -10.459 8.993 1.00 0.00 N ATOM 0 H ARG A 61 -9.364 -9.847 1.461 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.301 -7.761 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.698 -10.174 2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.743 -8.893 3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.443 -8.630 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.420 -9.892 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.091 -11.572 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.607 -10.719 4.955 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.946 -9.373 7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.122 -12.323 6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.520 -12.512 8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.168 -9.616 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.114 -10.975 9.678 1.00 0.00 H new ATOM 879 N VAL A 62 -7.222 -6.252 2.868 1.00 0.00 N ATOM 880 CA VAL A 62 -6.324 -5.172 2.496 1.00 0.00 C ATOM 881 C VAL A 62 -5.037 -5.280 3.317 1.00 0.00 C ATOM 882 O VAL A 62 -5.047 -5.813 4.425 1.00 0.00 O ATOM 883 CB VAL A 62 -7.028 -3.824 2.662 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.102 -2.670 2.272 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.327 -3.782 1.855 1.00 0.00 C ATOM 0 H VAL A 62 -7.493 -6.262 3.851 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.047 -5.251 1.445 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.284 -3.706 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.627 -1.723 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.217 -2.683 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.801 -2.781 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.808 -2.813 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.104 -3.932 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.996 -4.570 2.200 1.00 0.00 H new ATOM 895 N THR A 63 -3.961 -4.764 2.741 1.00 0.00 N ATOM 896 CA THR A 63 -2.669 -4.795 3.406 1.00 0.00 C ATOM 897 C THR A 63 -2.043 -3.399 3.420 1.00 0.00 C ATOM 898 O THR A 63 -1.693 -2.861 2.371 1.00 0.00 O ATOM 899 CB THR A 63 -1.802 -5.843 2.706 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.227 -7.080 3.272 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.327 -5.740 3.099 1.00 0.00 C ATOM 0 H THR A 63 -3.957 -4.322 1.822 1.00 0.00 H new ATOM 0 HA THR A 63 -2.770 -5.082 4.453 1.00 0.00 H new ATOM 0 HB THR A 63 -1.898 -5.731 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.903 -7.821 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.244 -6.506 2.574 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.054 -4.755 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.226 -5.885 4.175 1.00 0.00 H new ATOM 909 N HIS A 64 -1.921 -2.852 4.621 1.00 0.00 N ATOM 910 CA HIS A 64 -1.343 -1.529 4.785 1.00 0.00 C ATOM 911 C HIS A 64 0.157 -1.655 5.062 1.00 0.00 C ATOM 912 O HIS A 64 0.561 -1.967 6.181 1.00 0.00 O ATOM 913 CB HIS A 64 -2.082 -0.745 5.871 1.00 0.00 C ATOM 914 CG HIS A 64 -3.552 -0.544 5.590 1.00 0.00 C ATOM 915 ND1 HIS A 64 -4.033 0.499 4.818 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.641 -1.264 5.986 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.353 0.402 4.758 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.728 -0.691 5.483 1.00 0.00 N ATOM 0 H HIS A 64 -2.212 -3.301 5.489 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.461 -0.960 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.972 -1.268 6.821 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.608 0.230 5.987 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.467 1.220 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.622 -2.150 6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.015 1.071 4.228 1.00 0.00 H new ATOM 926 N ILE A 65 0.941 -1.406 4.023 1.00 0.00 N ATOM 927 CA ILE A 65 2.386 -1.487 4.140 1.00 0.00 C ATOM 928 C ILE A 65 2.943 -0.109 4.506 1.00 0.00 C ATOM 929 O ILE A 65 3.155 0.730 3.632 1.00 0.00 O ATOM 930 CB ILE A 65 2.995 -2.078 2.867 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.611 -3.551 2.708 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.511 -1.874 2.838 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.670 -3.747 1.518 1.00 0.00 C ATOM 0 H ILE A 65 0.602 -1.148 3.096 1.00 0.00 H new ATOM 0 HA ILE A 65 2.665 -2.168 4.945 1.00 0.00 H new ATOM 0 HB ILE A 65 2.582 -1.544 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.510 -4.152 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.129 -3.905 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.918 -2.303 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.735 -0.808 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.961 -2.365 3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.413 -4.802 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.762 -3.164 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.164 -3.414 0.605 1.00 0.00 H new ATOM 945 N LYS A 66 3.163 0.081 5.798 1.00 0.00 N ATOM 946 CA LYS A 66 3.690 1.343 6.290 1.00 0.00 C ATOM 947 C LYS A 66 5.103 1.548 5.740 1.00 0.00 C ATOM 948 O LYS A 66 5.925 0.634 5.772 1.00 0.00 O ATOM 949 CB LYS A 66 3.610 1.398 7.817 1.00 0.00 C ATOM 950 CG LYS A 66 2.266 1.968 8.275 1.00 0.00 C ATOM 951 CD LYS A 66 1.562 1.007 9.235 1.00 0.00 C ATOM 952 CE LYS A 66 0.129 0.728 8.778 1.00 0.00 C ATOM 953 NZ LYS A 66 -0.782 0.655 9.943 1.00 0.00 N ATOM 0 H LYS A 66 2.986 -0.618 6.520 1.00 0.00 H new ATOM 0 HA LYS A 66 3.084 2.175 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.744 0.397 8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.422 2.013 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.423 2.929 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.631 2.153 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.118 0.071 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.551 1.433 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.202 1.514 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.094 -0.209 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.750 0.465 9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.475 -0.110 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.762 1.559 10.457 1.00 0.00 H new ATOM 967 N VAL A 67 5.342 2.755 5.248 1.00 0.00 N ATOM 968 CA VAL A 67 6.641 3.093 4.692 1.00 0.00 C ATOM 969 C VAL A 67 7.435 3.903 5.719 1.00 0.00 C ATOM 970 O VAL A 67 6.953 4.915 6.224 1.00 0.00 O ATOM 971 CB VAL A 67 6.466 3.824 3.360 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.760 4.530 2.948 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.992 2.865 2.266 1.00 0.00 C ATOM 0 H VAL A 67 4.658 3.511 5.223 1.00 0.00 H new ATOM 0 HA VAL A 67 7.212 2.189 4.479 1.00 0.00 H new ATOM 0 HB VAL A 67 5.697 4.585 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.608 5.042 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.037 5.257 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.557 3.795 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.876 3.410 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.727 2.071 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.035 2.429 2.554 1.00 0.00 H new ATOM 983 N MET A 68 8.640 3.427 5.997 1.00 0.00 N ATOM 984 CA MET A 68 9.506 4.095 6.954 1.00 0.00 C ATOM 985 C MET A 68 10.446 5.077 6.251 1.00 0.00 C ATOM 986 O MET A 68 11.350 4.665 5.525 1.00 0.00 O ATOM 987 CB MET A 68 10.331 3.051 7.711 1.00 0.00 C ATOM 988 CG MET A 68 9.532 2.462 8.875 1.00 0.00 C ATOM 989 SD MET A 68 10.179 0.855 9.308 1.00 0.00 S ATOM 990 CE MET A 68 9.167 -0.178 8.263 1.00 0.00 C ATOM 0 H MET A 68 9.037 2.587 5.576 1.00 0.00 H new ATOM 0 HA MET A 68 8.883 4.654 7.651 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.630 2.254 7.030 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.246 3.508 8.087 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.584 3.128 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.481 2.378 8.600 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.313 -1.224 8.534 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.118 0.088 8.395 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.451 -0.030 7.221 1.00 0.00 H new ATOM 1000 N CYS A 69 10.201 6.356 6.493 1.00 0.00 N ATOM 1001 CA CYS A 69 11.014 7.400 5.892 1.00 0.00 C ATOM 1002 C CYS A 69 12.034 7.872 6.931 1.00 0.00 C ATOM 1003 O CYS A 69 11.742 8.755 7.736 1.00 0.00 O ATOM 1004 CB CYS A 69 10.157 8.554 5.369 1.00 0.00 C ATOM 1005 SG CYS A 69 11.171 9.664 4.326 1.00 0.00 S ATOM 0 H CYS A 69 9.451 6.693 7.097 1.00 0.00 H new ATOM 0 HA CYS A 69 11.539 7.001 5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.320 8.163 4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.735 9.112 6.205 1.00 0.00 H new ATOM 0 HG CYS A 69 10.827 9.523 3.080 1.00 0.00 H new ATOM 1011 N GLU A 70 13.209 7.262 6.879 1.00 0.00 N ATOM 1012 CA GLU A 70 14.273 7.609 7.805 1.00 0.00 C ATOM 1013 C GLU A 70 15.566 7.905 7.042 1.00 0.00 C ATOM 1014 O GLU A 70 15.863 7.255 6.041 1.00 0.00 O ATOM 1015 CB GLU A 70 14.487 6.498 8.835 1.00 0.00 C ATOM 1016 CG GLU A 70 15.185 5.292 8.204 1.00 0.00 C ATOM 1017 CD GLU A 70 14.242 4.549 7.254 1.00 0.00 C ATOM 1018 OE1 GLU A 70 13.471 3.708 7.764 1.00 0.00 O ATOM 1019 OE2 GLU A 70 14.315 4.839 6.041 1.00 0.00 O ATOM 0 H GLU A 70 13.447 6.530 6.210 1.00 0.00 H new ATOM 0 HA GLU A 70 13.979 8.509 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.085 6.876 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.527 6.191 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.069 5.623 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.527 4.615 8.986 1.00 0.00 H new ATOM 1026 N GLY A 71 16.300 8.888 7.543 1.00 0.00 N ATOM 1027 CA GLY A 71 17.554 9.278 6.921 1.00 0.00 C ATOM 1028 C GLY A 71 17.352 9.608 5.441 1.00 0.00 C ATOM 1029 O GLY A 71 18.250 9.400 4.627 1.00 0.00 O ATOM 0 H GLY A 71 16.050 9.426 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.966 10.145 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.280 8.472 7.022 1.00 0.00 H new ATOM 1033 N GLY A 72 16.167 10.117 5.138 1.00 0.00 N ATOM 1034 CA GLY A 72 15.835 10.479 3.770 1.00 0.00 C ATOM 1035 C GLY A 72 15.687 9.233 2.894 1.00 0.00 C ATOM 1036 O GLY A 72 15.740 9.321 1.668 1.00 0.00 O ATOM 0 H GLY A 72 15.425 10.287 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.907 11.050 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.613 11.125 3.362 1.00 0.00 H new ATOM 1040 N ARG A 73 15.505 8.101 3.558 1.00 0.00 N ATOM 1041 CA ARG A 73 15.348 6.838 2.855 1.00 0.00 C ATOM 1042 C ARG A 73 14.009 6.192 3.217 1.00 0.00 C ATOM 1043 O ARG A 73 13.513 6.365 4.329 1.00 0.00 O ATOM 1044 CB ARG A 73 16.483 5.872 3.200 1.00 0.00 C ATOM 1045 CG ARG A 73 17.799 6.320 2.562 1.00 0.00 C ATOM 1046 CD ARG A 73 18.998 5.716 3.294 1.00 0.00 C ATOM 1047 NE ARG A 73 20.107 5.481 2.343 1.00 0.00 N ATOM 1048 CZ ARG A 73 21.309 5.002 2.692 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.564 4.704 3.973 1.00 0.00 N ATOM 1050 NH2 ARG A 73 22.255 4.821 1.761 1.00 0.00 N ATOM 0 H ARG A 73 15.463 8.032 4.575 1.00 0.00 H new ATOM 0 HA ARG A 73 15.377 7.047 1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.600 5.815 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.230 4.870 2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.820 6.020 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.866 7.408 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.325 6.387 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.710 4.778 3.768 1.00 0.00 H new ATOM 0 HE ARG A 73 19.946 5.697 1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.844 4.842 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 73 22.479 4.339 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 73 22.061 5.048 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 73 23.170 4.456 2.027 1.00 0.00 H new ATOM 1064 N TYR A 74 13.463 5.461 2.256 1.00 0.00 N ATOM 1065 CA TYR A 74 12.192 4.788 2.460 1.00 0.00 C ATOM 1066 C TYR A 74 12.376 3.270 2.504 1.00 0.00 C ATOM 1067 O TYR A 74 13.153 2.712 1.730 1.00 0.00 O ATOM 1068 CB TYR A 74 11.325 5.150 1.252 1.00 0.00 C ATOM 1069 CG TYR A 74 10.889 6.616 1.216 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.946 7.078 2.112 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.438 7.477 0.287 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.536 8.457 2.079 1.00 0.00 C ATOM 1073 CE2 TYR A 74 11.027 8.857 0.254 1.00 0.00 C ATOM 1074 CZ TYR A 74 10.096 9.279 1.151 1.00 0.00 C ATOM 1075 OH TYR A 74 9.709 10.582 1.119 1.00 0.00 O ATOM 0 H TYR A 74 13.878 5.320 1.335 1.00 0.00 H new ATOM 0 HA TYR A 74 11.743 5.095 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.878 4.923 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.437 4.517 1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.516 6.404 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.175 7.116 -0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.800 8.831 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.449 9.541 -0.467 1.00 0.00 H new ATOM 0 HH TYR A 74 10.193 11.050 0.406 1.00 0.00 H new ATOM 1085 N THR A 75 11.647 2.643 3.416 1.00 0.00 N ATOM 1086 CA THR A 75 11.720 1.201 3.571 1.00 0.00 C ATOM 1087 C THR A 75 10.435 0.667 4.206 1.00 0.00 C ATOM 1088 O THR A 75 9.786 1.365 4.984 1.00 0.00 O ATOM 1089 CB THR A 75 12.978 0.875 4.378 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.824 -0.499 4.722 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.011 1.595 5.728 1.00 0.00 C ATOM 0 H THR A 75 11.003 3.108 4.055 1.00 0.00 H new ATOM 0 HA THR A 75 11.799 0.703 2.605 1.00 0.00 H new ATOM 0 HB THR A 75 13.861 1.148 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.707 -0.906 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.924 1.329 6.260 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.986 2.673 5.566 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.146 1.297 6.321 1.00 0.00 H new ATOM 1099 N VAL A 76 10.105 -0.567 3.852 1.00 0.00 N ATOM 1100 CA VAL A 76 8.909 -1.202 4.378 1.00 0.00 C ATOM 1101 C VAL A 76 9.274 -2.015 5.622 1.00 0.00 C ATOM 1102 O VAL A 76 8.437 -2.734 6.166 1.00 0.00 O ATOM 1103 CB VAL A 76 8.242 -2.044 3.289 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.119 -1.255 1.984 1.00 0.00 C ATOM 1105 CG2 VAL A 76 8.999 -3.355 3.068 1.00 0.00 C ATOM 0 H VAL A 76 10.645 -1.144 3.207 1.00 0.00 H new ATOM 0 HA VAL A 76 8.180 -0.451 4.682 1.00 0.00 H new ATOM 0 HB VAL A 76 7.236 -2.292 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.642 -1.877 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.516 -0.363 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.111 -0.963 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.504 -3.934 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.023 -3.137 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.011 -3.929 3.995 1.00 0.00 H new ATOM 1115 N GLY A 77 10.524 -1.872 6.037 1.00 0.00 N ATOM 1116 CA GLY A 77 11.010 -2.584 7.207 1.00 0.00 C ATOM 1117 C GLY A 77 12.079 -3.608 6.822 1.00 0.00 C ATOM 1118 O GLY A 77 12.288 -4.591 7.531 1.00 0.00 O ATOM 0 H GLY A 77 11.215 -1.274 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.423 -1.874 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.180 -3.088 7.701 1.00 0.00 H new ATOM 1122 N GLY A 78 12.730 -3.342 5.698 1.00 0.00 N ATOM 1123 CA GLY A 78 13.773 -4.227 5.210 1.00 0.00 C ATOM 1124 C GLY A 78 15.090 -3.472 5.022 1.00 0.00 C ATOM 1125 O GLY A 78 15.149 -2.260 5.225 1.00 0.00 O ATOM 0 H GLY A 78 12.555 -2.526 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.917 -5.047 5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.465 -4.670 4.263 1.00 0.00 H new ATOM 1129 N LEU A 79 16.114 -4.219 4.635 1.00 0.00 N ATOM 1130 CA LEU A 79 17.426 -3.635 4.417 1.00 0.00 C ATOM 1131 C LEU A 79 17.358 -2.664 3.237 1.00 0.00 C ATOM 1132 O LEU A 79 17.827 -1.531 3.333 1.00 0.00 O ATOM 1133 CB LEU A 79 18.480 -4.732 4.251 1.00 0.00 C ATOM 1134 CG LEU A 79 19.754 -4.570 5.082 1.00 0.00 C ATOM 1135 CD1 LEU A 79 20.506 -5.897 5.198 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.639 -3.457 4.517 1.00 0.00 C ATOM 0 H LEU A 79 16.061 -5.224 4.467 1.00 0.00 H new ATOM 0 HA LEU A 79 17.735 -3.057 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.023 -5.688 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.760 -4.783 3.199 1.00 0.00 H new ATOM 0 HG LEU A 79 19.468 -4.273 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 79 21.408 -5.753 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 79 19.867 -6.637 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.780 -6.248 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.538 -3.362 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.919 -3.700 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.091 -2.515 4.530 1.00 0.00 H new ATOM 1148 N GLU A 80 16.769 -3.143 2.151 1.00 0.00 N ATOM 1149 CA GLU A 80 16.634 -2.331 0.954 1.00 0.00 C ATOM 1150 C GLU A 80 15.891 -1.033 1.274 1.00 0.00 C ATOM 1151 O GLU A 80 14.949 -1.031 2.066 1.00 0.00 O ATOM 1152 CB GLU A 80 15.925 -3.108 -0.158 1.00 0.00 C ATOM 1153 CG GLU A 80 16.718 -4.358 -0.544 1.00 0.00 C ATOM 1154 CD GLU A 80 15.839 -5.352 -1.305 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.800 -5.745 -0.732 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.225 -5.696 -2.443 1.00 0.00 O ATOM 0 H GLU A 80 16.380 -4.083 2.075 1.00 0.00 H new ATOM 0 HA GLU A 80 17.632 -2.077 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.927 -3.394 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.800 -2.468 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.571 -4.076 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.116 -4.832 0.353 1.00 0.00 H new ATOM 1163 N THR A 81 16.342 0.041 0.643 1.00 0.00 N ATOM 1164 CA THR A 81 15.732 1.343 0.851 1.00 0.00 C ATOM 1165 C THR A 81 15.504 2.046 -0.489 1.00 0.00 C ATOM 1166 O THR A 81 15.733 1.462 -1.547 1.00 0.00 O ATOM 1167 CB THR A 81 16.624 2.136 1.809 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.949 1.798 1.409 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.529 1.631 3.250 1.00 0.00 C ATOM 0 H THR A 81 17.123 0.036 -0.013 1.00 0.00 H new ATOM 0 HA THR A 81 14.745 1.249 1.305 1.00 0.00 H new ATOM 0 HB THR A 81 16.347 3.190 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.593 2.270 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.181 2.227 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.500 1.719 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.838 0.587 3.291 1.00 0.00 H new ATOM 1177 N PHE A 82 15.055 3.289 -0.400 1.00 0.00 N ATOM 1178 CA PHE A 82 14.793 4.077 -1.592 1.00 0.00 C ATOM 1179 C PHE A 82 14.787 5.573 -1.270 1.00 0.00 C ATOM 1180 O PHE A 82 14.591 5.963 -0.120 1.00 0.00 O ATOM 1181 CB PHE A 82 13.409 3.672 -2.102 1.00 0.00 C ATOM 1182 CG PHE A 82 13.168 2.161 -2.111 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.557 1.416 -3.181 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.564 1.562 -1.049 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.332 0.014 -3.189 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.340 0.160 -1.058 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.729 -0.584 -2.127 1.00 0.00 C ATOM 0 H PHE A 82 14.866 3.770 0.479 1.00 0.00 H new ATOM 0 HA PHE A 82 15.569 3.895 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.650 4.147 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.279 4.057 -3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.037 1.891 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.255 2.153 -0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.640 -0.577 -4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.860 -0.315 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.559 -1.651 -2.133 1.00 0.00 H new ATOM 1197 N ASP A 83 15.003 6.370 -2.306 1.00 0.00 N ATOM 1198 CA ASP A 83 15.024 7.814 -2.148 1.00 0.00 C ATOM 1199 C ASP A 83 13.636 8.378 -2.458 1.00 0.00 C ATOM 1200 O ASP A 83 13.192 9.331 -1.820 1.00 0.00 O ATOM 1201 CB ASP A 83 16.022 8.459 -3.112 1.00 0.00 C ATOM 1202 CG ASP A 83 16.176 9.974 -2.965 1.00 0.00 C ATOM 1203 OD1 ASP A 83 16.801 10.387 -1.964 1.00 0.00 O ATOM 1204 OD2 ASP A 83 15.666 10.686 -3.857 1.00 0.00 O ATOM 0 H ASP A 83 15.165 6.043 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 83 15.318 8.036 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.997 7.994 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.712 8.238 -4.133 1.00 0.00 H new ATOM 1209 N SER A 84 12.988 7.764 -3.437 1.00 0.00 N ATOM 1210 CA SER A 84 11.659 8.192 -3.839 1.00 0.00 C ATOM 1211 C SER A 84 10.689 7.010 -3.781 1.00 0.00 C ATOM 1212 O SER A 84 11.074 5.872 -4.043 1.00 0.00 O ATOM 1213 CB SER A 84 11.677 8.795 -5.245 1.00 0.00 C ATOM 1214 OG SER A 84 12.425 7.998 -6.159 1.00 0.00 O ATOM 0 H SER A 84 13.359 6.973 -3.964 1.00 0.00 H new ATOM 0 HA SER A 84 11.324 8.964 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.654 8.899 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.104 9.797 -5.204 1.00 0.00 H new ATOM 0 HG SER A 84 12.411 8.416 -7.045 1.00 0.00 H new ATOM 1220 N LEU A 85 9.448 7.322 -3.437 1.00 0.00 N ATOM 1221 CA LEU A 85 8.419 6.300 -3.341 1.00 0.00 C ATOM 1222 C LEU A 85 8.345 5.531 -4.661 1.00 0.00 C ATOM 1223 O LEU A 85 8.052 4.336 -4.673 1.00 0.00 O ATOM 1224 CB LEU A 85 7.086 6.919 -2.915 1.00 0.00 C ATOM 1225 CG LEU A 85 6.747 6.821 -1.426 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.246 5.421 -1.069 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.938 7.242 -0.563 1.00 0.00 C ATOM 0 H LEU A 85 9.132 8.267 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 85 8.671 5.578 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.090 7.972 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.288 6.439 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 85 5.935 7.517 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.012 5.379 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.349 5.197 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.019 4.688 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.670 7.163 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.787 6.590 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.207 8.273 -0.792 1.00 0.00 H new ATOM 1239 N THR A 86 8.617 6.247 -5.742 1.00 0.00 N ATOM 1240 CA THR A 86 8.585 5.647 -7.065 1.00 0.00 C ATOM 1241 C THR A 86 9.578 4.486 -7.148 1.00 0.00 C ATOM 1242 O THR A 86 9.242 3.412 -7.645 1.00 0.00 O ATOM 1243 CB THR A 86 8.853 6.750 -8.091 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.629 7.477 -8.147 1.00 0.00 O ATOM 1245 CG2 THR A 86 9.026 6.201 -9.509 1.00 0.00 C ATOM 0 H THR A 86 8.861 7.237 -5.729 1.00 0.00 H new ATOM 0 HA THR A 86 7.608 5.214 -7.279 1.00 0.00 H new ATOM 0 HB THR A 86 9.748 7.303 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.935 6.987 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.214 7.025 -10.198 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.869 5.510 -9.531 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.119 5.677 -9.809 1.00 0.00 H new ATOM 1253 N ASP A 87 10.780 4.741 -6.653 1.00 0.00 N ATOM 1254 CA ASP A 87 11.824 3.730 -6.665 1.00 0.00 C ATOM 1255 C ASP A 87 11.474 2.630 -5.660 1.00 0.00 C ATOM 1256 O ASP A 87 12.019 1.529 -5.724 1.00 0.00 O ATOM 1257 CB ASP A 87 13.173 4.327 -6.261 1.00 0.00 C ATOM 1258 CG ASP A 87 14.288 4.162 -7.295 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.021 3.494 -8.317 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.384 4.709 -7.041 1.00 0.00 O ATOM 0 H ASP A 87 11.054 5.633 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 87 11.895 3.330 -7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.038 5.390 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.493 3.865 -5.327 1.00 0.00 H new ATOM 1265 N LEU A 88 10.566 2.966 -4.756 1.00 0.00 N ATOM 1266 CA LEU A 88 10.137 2.021 -3.739 1.00 0.00 C ATOM 1267 C LEU A 88 9.015 1.147 -4.303 1.00 0.00 C ATOM 1268 O LEU A 88 9.057 -0.077 -4.184 1.00 0.00 O ATOM 1269 CB LEU A 88 9.757 2.754 -2.451 1.00 0.00 C ATOM 1270 CG LEU A 88 9.223 1.881 -1.314 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.332 2.603 0.030 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.792 1.420 -1.603 1.00 0.00 C ATOM 0 H LEU A 88 10.115 3.880 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 88 10.956 1.355 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.635 3.290 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.003 3.503 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 88 9.843 0.987 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.945 1.960 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.377 2.839 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.752 3.525 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.436 0.801 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.144 2.290 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.776 0.840 -2.526 1.00 0.00 H new ATOM 1284 N VAL A 89 8.037 1.809 -4.904 1.00 0.00 N ATOM 1285 CA VAL A 89 6.906 1.108 -5.486 1.00 0.00 C ATOM 1286 C VAL A 89 7.376 0.314 -6.707 1.00 0.00 C ATOM 1287 O VAL A 89 7.159 -0.894 -6.787 1.00 0.00 O ATOM 1288 CB VAL A 89 5.788 2.100 -5.813 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.845 1.532 -6.877 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.017 2.493 -4.551 1.00 0.00 C ATOM 0 H VAL A 89 8.005 2.824 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 89 6.492 0.394 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 89 6.248 3.001 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.059 2.257 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.407 1.326 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.397 0.609 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.228 3.199 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.574 1.603 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.698 2.957 -3.838 1.00 0.00 H new ATOM 1300 N GLU A 90 8.012 1.025 -7.626 1.00 0.00 N ATOM 1301 CA GLU A 90 8.515 0.402 -8.838 1.00 0.00 C ATOM 1302 C GLU A 90 9.434 -0.771 -8.490 1.00 0.00 C ATOM 1303 O GLU A 90 9.697 -1.629 -9.332 1.00 0.00 O ATOM 1304 CB GLU A 90 9.239 1.422 -9.720 1.00 0.00 C ATOM 1305 CG GLU A 90 8.251 2.415 -10.334 1.00 0.00 C ATOM 1306 CD GLU A 90 8.809 3.018 -11.625 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.942 3.543 -11.561 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.092 2.939 -12.645 1.00 0.00 O ATOM 0 H GLU A 90 8.191 2.027 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 90 7.666 0.018 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.980 1.959 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.779 0.904 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.307 1.912 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.038 3.210 -9.620 1.00 0.00 H new ATOM 1315 N HIS A 91 9.896 -0.772 -7.249 1.00 0.00 N ATOM 1316 CA HIS A 91 10.779 -1.825 -6.779 1.00 0.00 C ATOM 1317 C HIS A 91 9.957 -3.069 -6.436 1.00 0.00 C ATOM 1318 O HIS A 91 10.146 -4.127 -7.033 1.00 0.00 O ATOM 1319 CB HIS A 91 11.633 -1.337 -5.607 1.00 0.00 C ATOM 1320 CG HIS A 91 12.292 -2.446 -4.823 1.00 0.00 C ATOM 1321 ND1 HIS A 91 11.839 -3.183 -3.769 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.568 -2.904 -5.100 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 12.786 -4.045 -3.421 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 13.860 -3.873 -4.245 1.00 0.00 N flip ATOM 0 H HIS A 91 9.675 -0.059 -6.554 1.00 0.00 H new ATOM 0 HA HIS A 91 11.476 -2.099 -7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.404 -0.667 -5.987 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.007 -0.752 -4.933 1.00 0.00 H new ATOM 0 HD1 HIS A 91 10.926 -3.088 -3.323 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.216 -2.534 -5.881 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.718 -4.764 -2.618 1.00 0.00 H new ATOM 1332 N PHE A 92 9.061 -2.900 -5.474 1.00 0.00 N ATOM 1333 CA PHE A 92 8.209 -3.996 -5.044 1.00 0.00 C ATOM 1334 C PHE A 92 7.142 -4.306 -6.096 1.00 0.00 C ATOM 1335 O PHE A 92 6.402 -5.280 -5.966 1.00 0.00 O ATOM 1336 CB PHE A 92 7.521 -3.547 -3.753 1.00 0.00 C ATOM 1337 CG PHE A 92 8.425 -3.590 -2.519 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.670 -4.774 -1.896 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.984 -2.444 -2.046 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.508 -4.814 -0.751 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.823 -2.484 -0.901 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.067 -3.668 -0.277 1.00 0.00 C ATOM 0 H PHE A 92 8.907 -2.021 -4.980 1.00 0.00 H new ATOM 0 HA PHE A 92 8.806 -4.896 -4.895 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.152 -2.530 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.652 -4.181 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.227 -5.684 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.790 -1.504 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.702 -5.754 -0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.268 -1.574 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.704 -3.698 0.594 1.00 0.00 H new ATOM 1352 N LYS A 93 7.096 -3.459 -7.113 1.00 0.00 N ATOM 1353 CA LYS A 93 6.131 -3.630 -8.186 1.00 0.00 C ATOM 1354 C LYS A 93 6.446 -4.919 -8.948 1.00 0.00 C ATOM 1355 O LYS A 93 5.614 -5.416 -9.705 1.00 0.00 O ATOM 1356 CB LYS A 93 6.091 -2.385 -9.075 1.00 0.00 C ATOM 1357 CG LYS A 93 4.876 -1.516 -8.746 1.00 0.00 C ATOM 1358 CD LYS A 93 4.754 -0.349 -9.728 1.00 0.00 C ATOM 1359 CE LYS A 93 4.603 -0.855 -11.164 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.437 -0.220 -11.817 1.00 0.00 N ATOM 0 H LYS A 93 7.711 -2.652 -7.217 1.00 0.00 H new ATOM 0 HA LYS A 93 5.125 -3.736 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.004 -1.806 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.057 -2.683 -10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.971 -2.122 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.963 -1.133 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.894 0.266 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.636 0.287 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.508 -0.636 -11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.482 -1.938 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.349 -0.574 -12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.573 -0.450 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.568 0.812 -11.835 1.00 0.00 H new ATOM 1374 N LYS A 94 7.650 -5.424 -8.721 1.00 0.00 N ATOM 1375 CA LYS A 94 8.085 -6.646 -9.377 1.00 0.00 C ATOM 1376 C LYS A 94 8.291 -7.738 -8.326 1.00 0.00 C ATOM 1377 O LYS A 94 7.607 -8.760 -8.345 1.00 0.00 O ATOM 1378 CB LYS A 94 9.321 -6.380 -10.238 1.00 0.00 C ATOM 1379 CG LYS A 94 10.109 -5.180 -9.711 1.00 0.00 C ATOM 1380 CD LYS A 94 11.243 -4.806 -10.668 1.00 0.00 C ATOM 1381 CE LYS A 94 12.455 -4.274 -9.901 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.383 -3.574 -10.818 1.00 0.00 N ATOM 0 H LYS A 94 8.338 -5.009 -8.092 1.00 0.00 H new ATOM 0 HA LYS A 94 7.318 -7.004 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.960 -7.263 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.018 -6.196 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.440 -4.329 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.519 -5.413 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.533 -5.679 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.895 -4.051 -11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.126 -3.592 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.972 -5.098 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.200 -3.219 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.711 -4.235 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.891 -2.775 -11.267 1.00 0.00 H new ATOM 1396 N THR A 95 9.236 -7.484 -7.432 1.00 0.00 N ATOM 1397 CA THR A 95 9.540 -8.433 -6.375 1.00 0.00 C ATOM 1398 C THR A 95 8.265 -8.822 -5.624 1.00 0.00 C ATOM 1399 O THR A 95 7.922 -10.001 -5.545 1.00 0.00 O ATOM 1400 CB THR A 95 10.610 -7.812 -5.475 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.946 -6.715 -4.853 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.740 -7.159 -6.274 1.00 0.00 C ATOM 0 H THR A 95 9.801 -6.635 -7.418 1.00 0.00 H new ATOM 0 HA THR A 95 9.937 -9.363 -6.781 1.00 0.00 H new ATOM 0 HB THR A 95 11.024 -8.579 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.566 -5.960 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.472 -6.734 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.223 -7.909 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.331 -6.369 -6.903 1.00 0.00 H new ATOM 1410 N GLY A 96 7.598 -7.809 -5.091 1.00 0.00 N ATOM 1411 CA GLY A 96 6.369 -8.030 -4.349 1.00 0.00 C ATOM 1412 C GLY A 96 6.613 -7.932 -2.842 1.00 0.00 C ATOM 1413 O GLY A 96 7.756 -7.827 -2.400 1.00 0.00 O ATOM 0 H GLY A 96 7.886 -6.833 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.622 -7.295 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.965 -9.013 -4.592 1.00 0.00 H new ATOM 1417 N ILE A 97 5.520 -7.971 -2.094 1.00 0.00 N ATOM 1418 CA ILE A 97 5.601 -7.888 -0.646 1.00 0.00 C ATOM 1419 C ILE A 97 5.201 -9.234 -0.039 1.00 0.00 C ATOM 1420 O ILE A 97 4.471 -10.006 -0.659 1.00 0.00 O ATOM 1421 CB ILE A 97 4.773 -6.710 -0.129 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.351 -5.379 -0.613 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.641 -6.758 1.395 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.237 -4.410 -1.014 1.00 0.00 C ATOM 0 H ILE A 97 4.574 -8.059 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 97 6.626 -7.689 -0.333 1.00 0.00 H new ATOM 0 HB ILE A 97 3.767 -6.793 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.958 -4.934 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.010 -5.553 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.048 -5.909 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.149 -7.685 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.632 -6.713 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.676 -3.472 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.647 -4.847 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.594 -4.219 -0.155 1.00 0.00 H new ATOM 1436 N GLU A 98 5.696 -9.475 1.166 1.00 0.00 N ATOM 1437 CA GLU A 98 5.399 -10.715 1.863 1.00 0.00 C ATOM 1438 C GLU A 98 4.585 -10.431 3.128 1.00 0.00 C ATOM 1439 O GLU A 98 4.955 -9.573 3.928 1.00 0.00 O ATOM 1440 CB GLU A 98 6.683 -11.477 2.197 1.00 0.00 C ATOM 1441 CG GLU A 98 6.375 -12.751 2.987 1.00 0.00 C ATOM 1442 CD GLU A 98 7.604 -13.225 3.764 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.507 -13.789 3.109 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.614 -13.013 4.996 1.00 0.00 O ATOM 0 H GLU A 98 6.301 -8.833 1.678 1.00 0.00 H new ATOM 0 HA GLU A 98 4.802 -11.346 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.208 -11.733 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.349 -10.838 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.553 -12.565 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.047 -13.535 2.305 1.00 0.00 H new ATOM 1451 N GLU A 99 3.493 -11.167 3.267 1.00 0.00 N ATOM 1452 CA GLU A 99 2.624 -11.005 4.420 1.00 0.00 C ATOM 1453 C GLU A 99 3.158 -11.812 5.605 1.00 0.00 C ATOM 1454 O GLU A 99 4.116 -12.571 5.463 1.00 0.00 O ATOM 1455 CB GLU A 99 1.187 -11.410 4.085 1.00 0.00 C ATOM 1456 CG GLU A 99 0.451 -10.276 3.368 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.065 -10.454 3.473 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.515 -10.850 4.570 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.739 -10.189 2.454 1.00 0.00 O ATOM 0 H GLU A 99 3.190 -11.877 2.601 1.00 0.00 H new ATOM 0 HA GLU A 99 2.615 -9.951 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.193 -12.300 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.656 -11.671 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.739 -9.319 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.746 -10.252 2.319 1.00 0.00 H new ATOM 1466 N ALA A 100 2.517 -11.620 6.749 1.00 0.00 N ATOM 1467 CA ALA A 100 2.916 -12.321 7.957 1.00 0.00 C ATOM 1468 C ALA A 100 2.368 -13.749 7.918 1.00 0.00 C ATOM 1469 O ALA A 100 2.944 -14.655 8.519 1.00 0.00 O ATOM 1470 CB ALA A 100 2.429 -11.543 9.182 1.00 0.00 C ATOM 0 H ALA A 100 1.724 -10.989 6.864 1.00 0.00 H new ATOM 0 HA ALA A 100 4.002 -12.387 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.728 -12.068 10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.869 -10.546 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.343 -11.460 9.152 1.00 0.00 H new ATOM 1476 N SER A 101 1.262 -13.906 7.205 1.00 0.00 N ATOM 1477 CA SER A 101 0.631 -15.208 7.080 1.00 0.00 C ATOM 1478 C SER A 101 1.506 -16.135 6.234 1.00 0.00 C ATOM 1479 O SER A 101 1.287 -17.345 6.203 1.00 0.00 O ATOM 1480 CB SER A 101 -0.764 -15.087 6.464 1.00 0.00 C ATOM 1481 OG SER A 101 -1.285 -16.353 6.068 1.00 0.00 O ATOM 0 H SER A 101 0.787 -13.152 6.708 1.00 0.00 H new ATOM 0 HA SER A 101 0.523 -15.632 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.440 -14.626 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.722 -14.426 5.599 1.00 0.00 H new ATOM 0 HG SER A 101 -0.557 -17.008 6.027 1.00 0.00 H new ATOM 1487 N GLY A 102 2.480 -15.531 5.567 1.00 0.00 N ATOM 1488 CA GLY A 102 3.389 -16.287 4.723 1.00 0.00 C ATOM 1489 C GLY A 102 3.106 -16.028 3.242 1.00 0.00 C ATOM 1490 O GLY A 102 3.974 -16.232 2.395 1.00 0.00 O ATOM 0 H GLY A 102 2.659 -14.527 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.418 -16.012 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.288 -17.351 4.935 1.00 0.00 H new ATOM 1494 N ALA A 103 1.887 -15.583 2.975 1.00 0.00 N ATOM 1495 CA ALA A 103 1.478 -15.293 1.611 1.00 0.00 C ATOM 1496 C ALA A 103 2.180 -14.021 1.132 1.00 0.00 C ATOM 1497 O ALA A 103 2.560 -13.176 1.940 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.047 -15.177 1.549 1.00 0.00 C ATOM 0 H ALA A 103 1.169 -15.416 3.680 1.00 0.00 H new ATOM 0 HA ALA A 103 1.771 -16.102 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.354 -14.959 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.497 -16.116 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.378 -14.373 2.206 1.00 0.00 H new ATOM 1504 N PHE A 104 2.330 -13.925 -0.181 1.00 0.00 N ATOM 1505 CA PHE A 104 2.980 -12.771 -0.778 1.00 0.00 C ATOM 1506 C PHE A 104 1.980 -11.930 -1.574 1.00 0.00 C ATOM 1507 O PHE A 104 1.002 -12.457 -2.103 1.00 0.00 O ATOM 1508 CB PHE A 104 4.052 -13.303 -1.730 1.00 0.00 C ATOM 1509 CG PHE A 104 5.447 -13.395 -1.107 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.734 -14.390 -0.226 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.400 -12.481 -1.435 1.00 0.00 C ATOM 1512 CE1 PHE A 104 7.029 -14.475 0.352 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.694 -12.566 -0.857 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.981 -13.562 0.024 1.00 0.00 C ATOM 0 H PHE A 104 2.012 -14.628 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 104 3.406 -12.140 0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.755 -14.292 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.098 -12.656 -2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.978 -15.116 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.172 -11.691 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.257 -15.265 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.450 -11.840 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.966 -13.627 0.463 1.00 0.00 H new ATOM 1524 N VAL A 105 2.260 -10.636 -1.635 1.00 0.00 N ATOM 1525 CA VAL A 105 1.397 -9.717 -2.358 1.00 0.00 C ATOM 1526 C VAL A 105 2.214 -8.997 -3.432 1.00 0.00 C ATOM 1527 O VAL A 105 3.400 -8.734 -3.244 1.00 0.00 O ATOM 1528 CB VAL A 105 0.718 -8.757 -1.379 1.00 0.00 C ATOM 1529 CG1 VAL A 105 -0.143 -7.734 -2.122 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.110 -9.523 -0.345 1.00 0.00 C ATOM 0 H VAL A 105 3.072 -10.202 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 105 0.599 -10.260 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 105 1.499 -8.214 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.614 -7.064 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.484 -7.155 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.913 -8.253 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.582 -8.817 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.879 -10.105 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.540 -10.193 0.217 1.00 0.00 H new ATOM 1540 N TYR A 106 1.545 -8.697 -4.537 1.00 0.00 N ATOM 1541 CA TYR A 106 2.194 -8.012 -5.642 1.00 0.00 C ATOM 1542 C TYR A 106 1.360 -6.820 -6.113 1.00 0.00 C ATOM 1543 O TYR A 106 0.143 -6.800 -5.936 1.00 0.00 O ATOM 1544 CB TYR A 106 2.286 -9.035 -6.776 1.00 0.00 C ATOM 1545 CG TYR A 106 2.878 -10.381 -6.353 1.00 0.00 C ATOM 1546 CD1 TYR A 106 2.054 -11.373 -5.862 1.00 0.00 C ATOM 1547 CD2 TYR A 106 4.236 -10.603 -6.464 1.00 0.00 C ATOM 1548 CE1 TYR A 106 2.611 -12.640 -5.464 1.00 0.00 C ATOM 1549 CE2 TYR A 106 4.793 -11.870 -6.066 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.953 -12.826 -5.586 1.00 0.00 C ATOM 1551 OH TYR A 106 4.479 -14.023 -5.211 1.00 0.00 O ATOM 0 H TYR A 106 0.561 -8.916 -4.690 1.00 0.00 H new ATOM 0 HA TYR A 106 3.171 -7.634 -5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.289 -9.200 -7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.894 -8.618 -7.579 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.992 -11.199 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.881 -9.827 -6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.978 -13.425 -5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.854 -12.057 -6.147 1.00 0.00 H new ATOM 0 HH TYR A 106 5.448 -14.014 -5.354 1.00 0.00 H new ATOM 1561 N LEU A 107 2.048 -5.853 -6.704 1.00 0.00 N ATOM 1562 CA LEU A 107 1.385 -4.660 -7.202 1.00 0.00 C ATOM 1563 C LEU A 107 1.229 -4.765 -8.720 1.00 0.00 C ATOM 1564 O LEU A 107 2.149 -4.436 -9.467 1.00 0.00 O ATOM 1565 CB LEU A 107 2.131 -3.404 -6.746 1.00 0.00 C ATOM 1566 CG LEU A 107 2.581 -3.384 -5.284 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.812 -4.269 -5.078 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.817 -1.952 -4.802 1.00 0.00 C ATOM 0 H LEU A 107 3.057 -5.872 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 107 0.382 -4.578 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.010 -3.279 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.488 -2.541 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 107 1.779 -3.800 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.112 -4.237 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.573 -5.295 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.630 -3.906 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.136 -1.967 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.591 -1.486 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.893 -1.381 -4.890 1.00 0.00 H new ATOM 1580 N ARG A 108 0.056 -5.225 -9.131 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.233 -5.378 -10.547 1.00 0.00 C ATOM 1582 C ARG A 108 -0.526 -4.016 -11.179 1.00 0.00 C ATOM 1583 O ARG A 108 0.052 -3.667 -12.208 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.432 -6.303 -10.768 1.00 0.00 C ATOM 1585 CG ARG A 108 -1.027 -7.771 -10.616 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.776 -8.652 -11.617 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.004 -8.759 -12.874 1.00 0.00 N ATOM 1588 CZ ARG A 108 -1.456 -9.356 -13.986 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -2.679 -9.902 -14.002 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -0.685 -9.406 -15.081 1.00 0.00 N ATOM 0 H ARG A 108 -0.705 -5.497 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 108 0.645 -5.820 -11.018 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.218 -6.063 -10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.845 -6.137 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.047 -7.873 -10.769 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.238 -8.107 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.935 -9.643 -11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.760 -8.230 -11.820 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.069 -8.353 -12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.266 -9.863 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.024 -10.356 -14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.246 -8.990 -15.069 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.029 -9.860 -15.927 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.423 -3.282 -10.537 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.799 -1.965 -11.023 1.00 0.00 C ATOM 1606 C GLN A 109 -2.125 -1.039 -9.850 1.00 0.00 C ATOM 1607 O GLN A 109 -2.729 -1.465 -8.867 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.979 -2.056 -11.993 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.282 -2.345 -11.247 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.948 -3.616 -11.778 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.621 -3.616 -12.796 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.724 -4.696 -11.035 1.00 0.00 N ATOM 0 H GLN A 109 -1.900 -3.574 -9.684 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.953 -1.545 -11.568 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.072 -1.121 -12.546 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.793 -2.842 -12.725 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.079 -2.455 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.963 -1.501 -11.356 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.151 -4.627 -10.194 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.125 -5.594 -11.306 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.698 0.244 -9.995 1.00 0.00 N ATOM 1622 CA PRO A 110 -1.938 1.235 -8.959 1.00 0.00 C ATOM 1623 C PRO A 110 -3.400 1.684 -8.958 1.00 0.00 C ATOM 1624 O PRO A 110 -4.109 1.505 -9.947 1.00 0.00 O ATOM 1625 CB PRO A 110 -0.969 2.366 -9.264 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.554 2.179 -10.714 1.00 0.00 C ATOM 1627 CD PRO A 110 -0.980 0.785 -11.145 1.00 0.00 C ATOM 0 HA PRO A 110 -1.769 0.844 -7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.442 3.337 -9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.104 2.328 -8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.023 2.934 -11.346 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.524 2.299 -10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.618 0.821 -12.028 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.118 0.168 -11.399 1.00 0.00 H new ATOM 1635 N TYR A 111 -3.809 2.259 -7.836 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.174 2.735 -7.693 1.00 0.00 C ATOM 1637 C TYR A 111 -5.288 4.204 -8.104 1.00 0.00 C ATOM 1638 O TYR A 111 -4.755 5.085 -7.430 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.512 2.606 -6.206 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.000 2.772 -5.890 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -7.929 1.948 -6.491 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.412 3.746 -5.003 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.329 2.104 -6.193 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.812 3.902 -4.705 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.702 3.073 -5.315 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.024 3.221 -5.034 1.00 0.00 O ATOM 0 H TYR A 111 -3.218 2.406 -7.017 1.00 0.00 H new ATOM 0 HA TYR A 111 -5.849 2.160 -8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.183 1.629 -5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.947 3.354 -5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.606 1.186 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.684 4.391 -4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.066 1.466 -6.657 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.148 4.660 -4.013 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.443 2.338 -4.960 1.00 0.00 H new