USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -0.789 K(o=-0.79,f=-5.3!) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.00813 USER MOD Set 2.2: A 53 GLN : amide:sc= 0.577 K(o=0.59,f=-3.2!) USER MOD Set 3.1: A 43 THR OG1 : rot 74:sc= 0.904 USER MOD Set 3.2: A 44 HIS :FLIP no HD1:sc= 0.587 F(o=0.25,f=1.5) USER MOD Set 3.3: A 49 TYR OH : rot 120:sc= -0.0384 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0.017) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 160:sc= -0.0475 (180deg=-0.555) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.0072) USER MOD Single : A 42 MET CE :methyl 161:sc=-0.00107 (180deg=-0.385) USER MOD Single : A 56 ASN : amide:sc= -0.0855 X(o=-0.085,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.426 K(o=0.43,f=-3.7!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.341 F(o=-2.8,f=-0.31) USER MOD Single : A 89 MET CE :methyl 146:sc= 0 (180deg=-0.349) USER MOD Single : A 91 GLN : amide:sc= 0.936 K(o=0.94,f=-5.2!) USER MOD Single : A 92 THR OG1 : rot -66:sc= 0.776 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 166:sc= 0.702 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00905 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 6.992 29.631 33.166 1.00 1.00 N ATOM 77 CA VAL A 6 6.541 28.975 31.954 1.00 1.00 C ATOM 78 C VAL A 6 5.455 28.025 32.418 1.00 1.00 C ATOM 79 O VAL A 6 5.567 27.397 33.475 1.00 1.00 O ATOM 80 CB VAL A 6 7.641 28.244 31.187 1.00 1.00 C ATOM 81 CG1 VAL A 6 8.456 27.306 32.099 1.00 1.00 C ATOM 82 CG2 VAL A 6 7.094 27.490 29.956 1.00 1.00 C ATOM 0 HA VAL A 6 6.186 29.711 31.233 1.00 1.00 H new ATOM 0 HB VAL A 6 8.320 29.013 30.818 1.00 1.00 H new ATOM 0 HG11 VAL A 6 9.227 26.807 31.512 1.00 1.00 H new ATOM 0 HG12 VAL A 6 8.924 27.887 32.893 1.00 1.00 H new ATOM 0 HG13 VAL A 6 7.794 26.559 32.538 1.00 1.00 H new ATOM 0 HG21 VAL A 6 7.914 26.986 29.444 1.00 1.00 H new ATOM 0 HG22 VAL A 6 6.360 26.752 30.278 1.00 1.00 H new ATOM 0 HG23 VAL A 6 6.622 28.199 29.276 1.00 1.00 H new ATOM 92 N ILE A 7 4.352 27.923 31.660 1.00 1.00 N ATOM 93 CA ILE A 7 3.221 27.074 32.014 1.00 1.00 C ATOM 94 C ILE A 7 3.114 26.012 30.941 1.00 1.00 C ATOM 95 O ILE A 7 3.032 26.332 29.758 1.00 1.00 O ATOM 96 CB ILE A 7 1.904 27.847 32.123 1.00 1.00 C ATOM 97 CG1 ILE A 7 2.043 29.018 33.131 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.768 26.881 32.542 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.809 29.925 33.201 1.00 1.00 C ATOM 0 H ILE A 7 4.226 28.431 30.784 1.00 1.00 H new ATOM 0 HA ILE A 7 3.395 26.642 33.000 1.00 1.00 H new ATOM 0 HB ILE A 7 1.656 28.275 31.151 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.239 28.610 34.123 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.909 29.620 32.857 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.169 27.433 32.619 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.665 26.094 31.795 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.007 26.435 33.508 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.982 30.720 33.927 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.624 30.363 32.220 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.057 29.338 33.506 1.00 1.00 H new ATOM 111 N GLU A 8 3.142 24.718 31.317 1.00 1.00 N ATOM 112 CA GLU A 8 3.179 23.611 30.380 1.00 1.00 C ATOM 113 C GLU A 8 2.031 22.643 30.614 1.00 1.00 C ATOM 114 O GLU A 8 1.859 22.070 31.691 1.00 1.00 O ATOM 115 CB GLU A 8 4.545 22.886 30.452 1.00 1.00 C ATOM 116 CG GLU A 8 4.747 21.782 29.384 1.00 1.00 C ATOM 117 CD GLU A 8 6.209 21.396 29.246 1.00 1.00 C ATOM 118 OE1 GLU A 8 6.798 20.865 30.222 1.00 1.00 O ATOM 119 OE2 GLU A 8 6.798 21.629 28.154 1.00 1.00 O ATOM 0 H GLU A 8 3.139 24.424 32.294 1.00 1.00 H new ATOM 0 HA GLU A 8 3.059 24.017 29.376 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.339 23.625 30.346 1.00 1.00 H new ATOM 0 HB3 GLU A 8 4.653 22.441 31.441 1.00 1.00 H new ATOM 0 HG2 GLU A 8 4.162 20.903 29.654 1.00 1.00 H new ATOM 0 HG3 GLU A 8 4.371 22.132 28.423 1.00 1.00 H new ATOM 126 N MET A 9 1.190 22.453 29.582 1.00 1.00 N ATOM 127 CA MET A 9 0.029 21.589 29.609 1.00 1.00 C ATOM 128 C MET A 9 0.013 20.746 28.356 1.00 1.00 C ATOM 129 O MET A 9 0.015 21.269 27.247 1.00 1.00 O ATOM 130 CB MET A 9 -1.290 22.399 29.598 1.00 1.00 C ATOM 131 CG MET A 9 -1.610 23.082 30.934 1.00 1.00 C ATOM 132 SD MET A 9 -3.042 24.183 30.825 1.00 1.00 S ATOM 133 CE MET A 9 -3.177 24.372 32.618 1.00 1.00 C ATOM 0 H MET A 9 1.317 22.919 28.683 1.00 1.00 H new ATOM 0 HA MET A 9 0.093 20.992 30.518 1.00 1.00 H new ATOM 0 HB2 MET A 9 -1.233 23.158 28.818 1.00 1.00 H new ATOM 0 HB3 MET A 9 -2.112 21.733 29.335 1.00 1.00 H new ATOM 0 HG2 MET A 9 -1.798 22.321 31.691 1.00 1.00 H new ATOM 0 HG3 MET A 9 -0.742 23.652 31.264 1.00 1.00 H new ATOM 0 HE1 MET A 9 -4.014 25.030 32.853 1.00 1.00 H new ATOM 0 HE2 MET A 9 -3.343 23.397 33.075 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.256 24.804 33.009 1.00 1.00 H new ATOM 143 N GLN A 10 -0.035 19.409 28.492 1.00 1.00 N ATOM 144 CA GLN A 10 -0.314 18.489 27.399 1.00 1.00 C ATOM 145 C GLN A 10 0.672 18.548 26.219 1.00 1.00 C ATOM 146 O GLN A 10 0.314 18.302 25.066 1.00 1.00 O ATOM 147 CB GLN A 10 -1.781 18.665 26.910 1.00 1.00 C ATOM 148 CG GLN A 10 -2.866 18.611 28.018 1.00 1.00 C ATOM 149 CD GLN A 10 -2.913 17.299 28.804 1.00 1.00 C ATOM 150 OE1 GLN A 10 -2.768 17.290 30.032 1.00 1.00 O ATOM 151 NE2 GLN A 10 -3.154 16.172 28.104 1.00 1.00 N ATOM 0 H GLN A 10 0.123 18.939 29.384 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.174 17.493 27.819 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -1.861 19.622 26.394 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -1.997 17.888 26.177 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -2.694 19.431 28.716 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -3.841 18.780 27.561 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -3.269 16.215 27.091 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -3.222 15.276 28.587 1.00 1.00 H new ATOM 160 N GLY A 11 1.965 18.846 26.478 1.00 1.00 N ATOM 161 CA GLY A 11 2.981 19.088 25.446 1.00 1.00 C ATOM 162 C GLY A 11 2.994 20.480 24.845 1.00 1.00 C ATOM 163 O GLY A 11 3.773 20.772 23.937 1.00 1.00 O ATOM 0 H GLY A 11 2.331 18.925 27.427 1.00 1.00 H new ATOM 0 HA2 GLY A 11 3.963 18.889 25.876 1.00 1.00 H new ATOM 0 HA3 GLY A 11 2.834 18.367 24.642 1.00 1.00 H new ATOM 167 N LEU A 12 2.145 21.391 25.350 1.00 1.00 N ATOM 168 CA LEU A 12 2.049 22.768 24.910 1.00 1.00 C ATOM 169 C LEU A 12 2.538 23.666 26.033 1.00 1.00 C ATOM 170 O LEU A 12 2.051 23.591 27.159 1.00 1.00 O ATOM 171 CB LEU A 12 0.568 23.115 24.607 1.00 1.00 C ATOM 172 CG LEU A 12 0.312 24.504 23.992 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.757 24.556 22.527 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.173 24.877 24.112 1.00 1.00 C ATOM 0 H LEU A 12 1.491 21.168 26.100 1.00 1.00 H new ATOM 0 HA LEU A 12 2.649 22.912 24.012 1.00 1.00 H new ATOM 0 HB2 LEU A 12 0.170 22.360 23.929 1.00 1.00 H new ATOM 0 HB3 LEU A 12 0.001 23.040 25.535 1.00 1.00 H new ATOM 0 HG LEU A 12 0.905 25.230 24.548 1.00 1.00 H new ATOM 0 HD11 LEU A 12 0.563 25.549 22.123 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.824 24.340 22.463 1.00 1.00 H new ATOM 0 HD13 LEU A 12 0.202 23.815 21.952 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.338 25.861 23.673 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.777 24.139 23.585 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.459 24.896 25.164 1.00 1.00 H new ATOM 186 N SER A 13 3.529 24.541 25.773 1.00 1.00 N ATOM 187 CA SER A 13 4.103 25.396 26.804 1.00 1.00 C ATOM 188 C SER A 13 4.084 26.861 26.443 1.00 1.00 C ATOM 189 O SER A 13 4.377 27.270 25.320 1.00 1.00 O ATOM 190 CB SER A 13 5.517 24.986 27.291 1.00 1.00 C ATOM 191 OG SER A 13 6.531 25.096 26.292 1.00 1.00 O ATOM 0 H SER A 13 3.943 24.667 24.849 1.00 1.00 H new ATOM 0 HA SER A 13 3.430 25.237 27.647 1.00 1.00 H new ATOM 0 HB2 SER A 13 5.791 25.609 28.142 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.483 23.956 27.647 1.00 1.00 H new ATOM 0 HG SER A 13 7.393 24.824 26.670 1.00 1.00 H new ATOM 197 N LEU A 14 3.701 27.697 27.419 1.00 1.00 N ATOM 198 CA LEU A 14 3.472 29.115 27.267 1.00 1.00 C ATOM 199 C LEU A 14 4.334 29.899 28.240 1.00 1.00 C ATOM 200 O LEU A 14 4.377 29.613 29.435 1.00 1.00 O ATOM 201 CB LEU A 14 1.964 29.382 27.490 1.00 1.00 C ATOM 202 CG LEU A 14 1.500 30.850 27.575 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.085 30.977 27.007 1.00 1.00 C ATOM 204 CD2 LEU A 14 1.475 31.398 29.010 1.00 1.00 C ATOM 0 H LEU A 14 3.539 27.375 28.373 1.00 1.00 H new ATOM 0 HA LEU A 14 3.751 29.444 26.266 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.415 28.904 26.679 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.668 28.883 28.413 1.00 1.00 H new ATOM 0 HG LEU A 14 2.224 31.429 27.001 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -0.240 32.016 27.069 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.081 30.657 25.965 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.596 30.349 27.582 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.140 32.435 28.998 1.00 1.00 H new ATOM 0 HD22 LEU A 14 0.791 30.803 29.615 1.00 1.00 H new ATOM 0 HD23 LEU A 14 2.477 31.346 29.437 1.00 1.00 H new ATOM 216 N ASP A 15 5.049 30.925 27.744 1.00 1.00 N ATOM 217 CA ASP A 15 5.880 31.808 28.539 1.00 1.00 C ATOM 218 C ASP A 15 5.291 33.217 28.420 1.00 1.00 C ATOM 219 O ASP A 15 5.294 33.775 27.315 1.00 1.00 O ATOM 220 CB ASP A 15 7.326 31.719 27.985 1.00 1.00 C ATOM 221 CG ASP A 15 8.373 32.582 28.657 1.00 1.00 C ATOM 222 OD1 ASP A 15 8.141 33.794 28.887 1.00 1.00 O ATOM 223 OD2 ASP A 15 9.477 32.044 28.941 1.00 1.00 O ATOM 0 H ASP A 15 5.056 31.158 26.751 1.00 1.00 H new ATOM 0 HA ASP A 15 5.907 31.536 29.594 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.650 30.680 28.050 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.300 31.980 26.927 1.00 1.00 H new ATOM 228 N PRO A 16 4.761 33.835 29.483 1.00 1.00 N ATOM 229 CA PRO A 16 4.161 35.164 29.404 1.00 1.00 C ATOM 230 C PRO A 16 5.128 36.276 29.061 1.00 1.00 C ATOM 231 O PRO A 16 4.707 37.261 28.453 1.00 1.00 O ATOM 232 CB PRO A 16 3.535 35.383 30.789 1.00 1.00 C ATOM 233 CG PRO A 16 3.221 33.969 31.277 1.00 1.00 C ATOM 234 CD PRO A 16 4.398 33.162 30.738 1.00 1.00 C ATOM 0 HA PRO A 16 3.441 35.200 28.586 1.00 1.00 H new ATOM 0 HB2 PRO A 16 4.223 35.895 31.462 1.00 1.00 H new ATOM 0 HB3 PRO A 16 2.634 35.994 30.729 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.160 33.920 32.364 1.00 1.00 H new ATOM 0 HG3 PRO A 16 2.269 33.608 30.887 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.231 33.157 31.441 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.120 32.122 30.565 1.00 1.00 H new ATOM 242 N THR A 17 6.407 36.176 29.466 1.00 1.00 N ATOM 243 CA THR A 17 7.398 37.235 29.248 1.00 1.00 C ATOM 244 C THR A 17 7.814 37.274 27.796 1.00 1.00 C ATOM 245 O THR A 17 7.840 38.322 27.148 1.00 1.00 O ATOM 246 CB THR A 17 8.629 37.095 30.148 1.00 1.00 C ATOM 247 OG1 THR A 17 8.255 37.353 31.497 1.00 1.00 O ATOM 248 CG2 THR A 17 9.728 38.116 29.812 1.00 1.00 C ATOM 0 H THR A 17 6.778 35.359 29.952 1.00 1.00 H new ATOM 0 HA THR A 17 6.916 38.175 29.516 1.00 1.00 H new ATOM 0 HB THR A 17 9.008 36.085 29.996 1.00 1.00 H new ATOM 0 HG1 THR A 17 9.040 37.263 32.077 1.00 1.00 H new ATOM 0 HG21 THR A 17 10.576 37.971 30.481 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.051 37.977 28.780 1.00 1.00 H new ATOM 0 HG23 THR A 17 9.337 39.126 29.936 1.00 1.00 H new ATOM 256 N SER A 18 8.083 36.096 27.206 1.00 1.00 N ATOM 257 CA SER A 18 8.489 35.997 25.811 1.00 1.00 C ATOM 258 C SER A 18 7.314 36.099 24.842 1.00 1.00 C ATOM 259 O SER A 18 7.483 36.358 23.652 1.00 1.00 O ATOM 260 CB SER A 18 9.260 34.671 25.574 1.00 1.00 C ATOM 261 OG SER A 18 9.913 34.638 24.303 1.00 1.00 O ATOM 0 H SER A 18 8.023 35.198 27.686 1.00 1.00 H new ATOM 0 HA SER A 18 9.141 36.847 25.610 1.00 1.00 H new ATOM 0 HB2 SER A 18 10.000 34.539 26.363 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.566 33.833 25.644 1.00 1.00 H new ATOM 0 HG SER A 18 10.386 33.786 24.200 1.00 1.00 H new ATOM 267 N HIS A 19 6.070 35.905 25.337 1.00 1.00 N ATOM 268 CA HIS A 19 4.841 35.832 24.547 1.00 1.00 C ATOM 269 C HIS A 19 4.837 34.645 23.595 1.00 1.00 C ATOM 270 O HIS A 19 4.342 34.717 22.471 1.00 1.00 O ATOM 271 CB HIS A 19 4.457 37.119 23.761 1.00 1.00 C ATOM 272 CG HIS A 19 4.229 38.353 24.589 1.00 1.00 C ATOM 273 ND1 HIS A 19 3.477 39.385 24.103 1.00 1.00 N ATOM 274 CD2 HIS A 19 4.710 38.750 25.790 1.00 1.00 C ATOM 275 CE1 HIS A 19 3.494 40.386 24.969 1.00 1.00 C ATOM 276 NE2 HIS A 19 4.237 40.021 26.005 1.00 1.00 N ATOM 0 H HIS A 19 5.899 35.792 26.336 1.00 1.00 H new ATOM 0 HA HIS A 19 4.075 35.706 25.313 1.00 1.00 H new ATOM 0 HB2 HIS A 19 5.247 37.330 23.040 1.00 1.00 H new ATOM 0 HB3 HIS A 19 3.551 36.916 23.190 1.00 1.00 H new ATOM 0 HD2 HIS A 19 5.343 38.178 26.452 1.00 1.00 H new ATOM 0 HE1 HIS A 19 2.991 41.334 24.852 1.00 1.00 H new ATOM 0 HE2 HIS A 19 4.427 40.592 26.829 1.00 1.00 H new ATOM 285 N ARG A 20 5.404 33.510 24.039 1.00 1.00 N ATOM 286 CA ARG A 20 5.747 32.406 23.170 1.00 1.00 C ATOM 287 C ARG A 20 4.968 31.164 23.538 1.00 1.00 C ATOM 288 O ARG A 20 4.995 30.714 24.685 1.00 1.00 O ATOM 289 CB ARG A 20 7.262 32.119 23.304 1.00 1.00 C ATOM 290 CG ARG A 20 7.819 31.016 22.383 1.00 1.00 C ATOM 291 CD ARG A 20 9.332 30.850 22.561 1.00 1.00 C ATOM 292 NE ARG A 20 9.812 29.790 21.615 1.00 1.00 N ATOM 293 CZ ARG A 20 10.284 30.023 20.384 1.00 1.00 C ATOM 294 NH1 ARG A 20 10.184 31.210 19.803 1.00 1.00 N ATOM 295 NH2 ARG A 20 10.895 29.032 19.740 1.00 1.00 N ATOM 0 H ARG A 20 5.633 33.347 25.020 1.00 1.00 H new ATOM 0 HA ARG A 20 5.497 32.675 22.144 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.807 33.042 23.105 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.470 31.843 24.338 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.320 30.072 22.601 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.598 31.261 21.344 1.00 1.00 H new ATOM 0 HD2 ARG A 20 9.842 31.793 22.363 1.00 1.00 H new ATOM 0 HD3 ARG A 20 9.564 30.572 23.589 1.00 1.00 H new ATOM 0 HE ARG A 20 9.776 28.821 21.932 1.00 1.00 H new ATOM 0 HH11 ARG A 20 9.736 31.983 20.295 1.00 1.00 H new ATOM 0 HH12 ARG A 20 10.555 31.351 18.863 1.00 1.00 H new ATOM 0 HH21 ARG A 20 10.995 28.120 20.185 1.00 1.00 H new ATOM 0 HH22 ARG A 20 11.263 29.184 18.801 1.00 1.00 H new ATOM 309 N VAL A 21 4.265 30.570 22.554 1.00 1.00 N ATOM 310 CA VAL A 21 3.519 29.336 22.701 1.00 1.00 C ATOM 311 C VAL A 21 4.216 28.267 21.868 1.00 1.00 C ATOM 312 O VAL A 21 4.332 28.364 20.645 1.00 1.00 O ATOM 313 CB VAL A 21 2.077 29.479 22.224 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.293 28.185 22.509 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.417 30.665 22.948 1.00 1.00 C ATOM 0 H VAL A 21 4.208 30.959 21.613 1.00 1.00 H new ATOM 0 HA VAL A 21 3.490 29.068 23.757 1.00 1.00 H new ATOM 0 HB VAL A 21 2.069 29.660 21.149 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.265 28.299 22.164 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.762 27.353 21.984 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.296 27.986 23.581 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.386 30.770 22.609 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.429 30.487 24.023 1.00 1.00 H new ATOM 0 HG23 VAL A 21 1.967 31.579 22.725 1.00 1.00 H new ATOM 325 N MET A 22 4.721 27.211 22.526 1.00 1.00 N ATOM 326 CA MET A 22 5.545 26.192 21.912 1.00 1.00 C ATOM 327 C MET A 22 4.860 24.843 22.050 1.00 1.00 C ATOM 328 O MET A 22 4.511 24.420 23.151 1.00 1.00 O ATOM 329 CB MET A 22 6.918 26.169 22.632 1.00 1.00 C ATOM 330 CG MET A 22 7.996 25.265 22.003 1.00 1.00 C ATOM 331 SD MET A 22 8.574 25.842 20.384 1.00 1.00 S ATOM 332 CE MET A 22 9.927 24.646 20.238 1.00 1.00 C ATOM 0 H MET A 22 4.556 27.051 23.520 1.00 1.00 H new ATOM 0 HA MET A 22 5.691 26.407 20.853 1.00 1.00 H new ATOM 0 HB2 MET A 22 7.303 27.188 22.669 1.00 1.00 H new ATOM 0 HB3 MET A 22 6.760 25.850 23.662 1.00 1.00 H new ATOM 0 HG2 MET A 22 8.847 25.202 22.682 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.596 24.256 21.898 1.00 1.00 H new ATOM 0 HE1 MET A 22 10.451 24.803 19.295 1.00 1.00 H new ATOM 0 HE2 MET A 22 10.623 24.781 21.066 1.00 1.00 H new ATOM 0 HE3 MET A 22 9.523 23.634 20.265 1.00 1.00 H new ATOM 342 N ALA A 23 4.636 24.117 20.940 1.00 1.00 N ATOM 343 CA ALA A 23 3.983 22.821 20.956 1.00 1.00 C ATOM 344 C ALA A 23 4.984 21.770 20.530 1.00 1.00 C ATOM 345 O ALA A 23 5.362 21.696 19.361 1.00 1.00 O ATOM 346 CB ALA A 23 2.797 22.817 19.969 1.00 1.00 C ATOM 0 H ALA A 23 4.909 24.426 20.007 1.00 1.00 H new ATOM 0 HA ALA A 23 3.614 22.610 21.960 1.00 1.00 H new ATOM 0 HB1 ALA A 23 2.312 21.841 19.987 1.00 1.00 H new ATOM 0 HB2 ALA A 23 2.079 23.584 20.260 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.161 23.023 18.962 1.00 1.00 H new ATOM 352 N GLY A 24 5.469 20.923 21.464 1.00 1.00 N ATOM 353 CA GLY A 24 6.552 19.976 21.189 1.00 1.00 C ATOM 354 C GLY A 24 7.821 20.618 20.663 1.00 1.00 C ATOM 355 O GLY A 24 8.579 21.250 21.398 1.00 1.00 O ATOM 0 H GLY A 24 5.118 20.883 22.421 1.00 1.00 H new ATOM 0 HA2 GLY A 24 6.786 19.433 22.105 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.202 19.242 20.463 1.00 1.00 H new ATOM 359 N GLU A 25 8.083 20.456 19.353 1.00 1.00 N ATOM 360 CA GLU A 25 9.205 21.040 18.644 1.00 1.00 C ATOM 361 C GLU A 25 8.811 22.233 17.764 1.00 1.00 C ATOM 362 O GLU A 25 9.626 22.736 16.987 1.00 1.00 O ATOM 363 CB GLU A 25 9.885 19.960 17.755 1.00 1.00 C ATOM 364 CG GLU A 25 8.981 19.305 16.675 1.00 1.00 C ATOM 365 CD GLU A 25 8.063 18.237 17.235 1.00 1.00 C ATOM 366 OE1 GLU A 25 8.544 17.107 17.510 1.00 1.00 O ATOM 367 OE2 GLU A 25 6.843 18.507 17.401 1.00 1.00 O ATOM 0 H GLU A 25 7.488 19.890 18.748 1.00 1.00 H new ATOM 0 HA GLU A 25 9.893 21.410 19.404 1.00 1.00 H new ATOM 0 HB2 GLU A 25 10.742 20.413 17.258 1.00 1.00 H new ATOM 0 HB3 GLU A 25 10.272 19.174 18.403 1.00 1.00 H new ATOM 0 HG2 GLU A 25 8.380 20.078 16.196 1.00 1.00 H new ATOM 0 HG3 GLU A 25 9.610 18.865 15.901 1.00 1.00 H new ATOM 374 N GLU A 26 7.559 22.729 17.849 1.00 1.00 N ATOM 375 CA GLU A 26 7.013 23.704 16.916 1.00 1.00 C ATOM 376 C GLU A 26 6.599 25.024 17.579 1.00 1.00 C ATOM 377 O GLU A 26 5.798 25.002 18.519 1.00 1.00 O ATOM 378 CB GLU A 26 5.764 23.102 16.229 1.00 1.00 C ATOM 379 CG GLU A 26 5.124 23.967 15.112 1.00 1.00 C ATOM 380 CD GLU A 26 5.959 24.114 13.853 1.00 1.00 C ATOM 381 OE1 GLU A 26 7.047 23.500 13.712 1.00 1.00 O ATOM 382 OE2 GLU A 26 5.498 24.850 12.942 1.00 1.00 O ATOM 0 H GLU A 26 6.902 22.453 18.579 1.00 1.00 H new ATOM 0 HA GLU A 26 7.807 23.928 16.204 1.00 1.00 H new ATOM 0 HB2 GLU A 26 6.037 22.137 15.803 1.00 1.00 H new ATOM 0 HB3 GLU A 26 5.009 22.912 16.992 1.00 1.00 H new ATOM 0 HG2 GLU A 26 4.162 23.531 14.842 1.00 1.00 H new ATOM 0 HG3 GLU A 26 4.922 24.960 15.514 1.00 1.00 H new ATOM 389 N PRO A 27 7.061 26.197 17.130 1.00 1.00 N ATOM 390 CA PRO A 27 6.652 27.466 17.729 1.00 1.00 C ATOM 391 C PRO A 27 5.445 28.024 16.992 1.00 1.00 C ATOM 392 O PRO A 27 5.507 28.276 15.786 1.00 1.00 O ATOM 393 CB PRO A 27 7.889 28.368 17.565 1.00 1.00 C ATOM 394 CG PRO A 27 8.618 27.825 16.331 1.00 1.00 C ATOM 395 CD PRO A 27 8.310 26.328 16.368 1.00 1.00 C ATOM 0 HA PRO A 27 6.350 27.378 18.773 1.00 1.00 H new ATOM 0 HB2 PRO A 27 7.601 29.410 17.426 1.00 1.00 H new ATOM 0 HB3 PRO A 27 8.526 28.328 18.449 1.00 1.00 H new ATOM 0 HG2 PRO A 27 8.254 28.288 15.413 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.690 28.016 16.381 1.00 1.00 H new ATOM 0 HD2 PRO A 27 8.198 25.926 15.361 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.119 25.774 16.844 1.00 1.00 H new ATOM 403 N LEU A 28 4.317 28.209 17.703 1.00 1.00 N ATOM 404 CA LEU A 28 3.038 28.578 17.123 1.00 1.00 C ATOM 405 C LEU A 28 2.881 30.082 16.924 1.00 1.00 C ATOM 406 O LEU A 28 3.653 30.890 17.447 1.00 1.00 O ATOM 407 CB LEU A 28 1.867 28.038 17.985 1.00 1.00 C ATOM 408 CG LEU A 28 1.874 26.508 18.205 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.647 26.100 19.031 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.895 25.709 16.892 1.00 1.00 C ATOM 0 H LEU A 28 4.282 28.101 18.717 1.00 1.00 H new ATOM 0 HA LEU A 28 3.011 28.118 16.135 1.00 1.00 H new ATOM 0 HB2 LEU A 28 1.893 28.531 18.957 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.926 28.318 17.511 1.00 1.00 H new ATOM 0 HG LEU A 28 2.794 26.270 18.738 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.654 25.021 19.185 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.675 26.604 19.997 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.261 26.385 18.499 1.00 1.00 H new ATOM 0 HD21 LEU A 28 1.899 24.642 17.115 1.00 1.00 H new ATOM 0 HD22 LEU A 28 1.011 25.953 16.303 1.00 1.00 H new ATOM 0 HD23 LEU A 28 2.790 25.964 16.325 1.00 1.00 H new ATOM 422 N GLU A 29 1.877 30.493 16.124 1.00 1.00 N ATOM 423 CA GLU A 29 1.648 31.880 15.761 1.00 1.00 C ATOM 424 C GLU A 29 0.215 32.296 16.048 1.00 1.00 C ATOM 425 O GLU A 29 -0.736 31.655 15.599 1.00 1.00 O ATOM 426 CB GLU A 29 1.935 32.118 14.258 1.00 1.00 C ATOM 427 CG GLU A 29 3.426 31.934 13.896 1.00 1.00 C ATOM 428 CD GLU A 29 3.662 32.125 12.418 1.00 1.00 C ATOM 429 OE1 GLU A 29 3.339 33.215 11.869 1.00 1.00 O ATOM 430 OE2 GLU A 29 4.156 31.170 11.765 1.00 1.00 O ATOM 0 H GLU A 29 1.200 29.850 15.713 1.00 1.00 H new ATOM 0 HA GLU A 29 2.329 32.479 16.365 1.00 1.00 H new ATOM 0 HB2 GLU A 29 1.334 31.429 13.665 1.00 1.00 H new ATOM 0 HB3 GLU A 29 1.622 33.127 13.988 1.00 1.00 H new ATOM 0 HG2 GLU A 29 4.029 32.648 14.457 1.00 1.00 H new ATOM 0 HG3 GLU A 29 3.754 30.938 14.192 1.00 1.00 H new ATOM 437 N MET A 30 0.029 33.399 16.800 1.00 1.00 N ATOM 438 CA MET A 30 -1.282 33.906 17.145 1.00 1.00 C ATOM 439 C MET A 30 -1.197 35.376 17.514 1.00 1.00 C ATOM 440 O MET A 30 -0.120 35.905 17.797 1.00 1.00 O ATOM 441 CB MET A 30 -1.918 33.109 18.313 1.00 1.00 C ATOM 442 CG MET A 30 -1.161 33.189 19.657 1.00 1.00 C ATOM 443 SD MET A 30 -1.853 32.127 20.966 1.00 1.00 S ATOM 444 CE MET A 30 -1.319 30.537 20.264 1.00 1.00 C ATOM 0 H MET A 30 0.797 33.954 17.179 1.00 1.00 H new ATOM 0 HA MET A 30 -1.919 33.786 16.269 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.935 33.470 18.466 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.992 32.062 18.019 1.00 1.00 H new ATOM 0 HG2 MET A 30 -0.120 32.912 19.492 1.00 1.00 H new ATOM 0 HG3 MET A 30 -1.165 34.223 20.003 1.00 1.00 H new ATOM 0 HE1 MET A 30 -1.314 29.777 21.046 1.00 1.00 H new ATOM 0 HE2 MET A 30 -2.007 30.239 19.473 1.00 1.00 H new ATOM 0 HE3 MET A 30 -0.315 30.640 19.852 1.00 1.00 H new ATOM 454 N GLY A 31 -2.339 36.099 17.506 1.00 1.00 N ATOM 455 CA GLY A 31 -2.375 37.500 17.901 1.00 1.00 C ATOM 456 C GLY A 31 -2.103 37.732 19.380 1.00 1.00 C ATOM 457 O GLY A 31 -2.349 36.836 20.189 1.00 1.00 O ATOM 0 H GLY A 31 -3.245 35.721 17.227 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -1.639 38.051 17.316 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -3.353 37.912 17.653 1.00 1.00 H new ATOM 461 N PRO A 32 -1.657 38.910 19.807 1.00 1.00 N ATOM 462 CA PRO A 32 -1.560 39.303 21.213 1.00 1.00 C ATOM 463 C PRO A 32 -2.814 39.067 22.044 1.00 1.00 C ATOM 464 O PRO A 32 -2.721 38.545 23.151 1.00 1.00 O ATOM 465 CB PRO A 32 -1.156 40.782 21.155 1.00 1.00 C ATOM 466 CG PRO A 32 -0.360 40.906 19.852 1.00 1.00 C ATOM 467 CD PRO A 32 -1.013 39.884 18.928 1.00 1.00 C ATOM 0 HA PRO A 32 -0.836 38.679 21.737 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -2.030 41.433 21.151 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -0.553 41.064 22.018 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -0.421 41.914 19.441 1.00 1.00 H new ATOM 0 HG3 PRO A 32 0.697 40.688 20.006 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.741 40.359 18.271 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.272 39.404 18.289 1.00 1.00 H new ATOM 475 N THR A 33 -4.008 39.416 21.526 1.00 1.00 N ATOM 476 CA THR A 33 -5.299 39.162 22.171 1.00 1.00 C ATOM 477 C THR A 33 -5.565 37.674 22.365 1.00 1.00 C ATOM 478 O THR A 33 -6.033 37.245 23.420 1.00 1.00 O ATOM 479 CB THR A 33 -6.471 39.824 21.444 1.00 1.00 C ATOM 480 OG1 THR A 33 -6.280 41.229 21.387 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.800 39.603 22.178 1.00 1.00 C ATOM 0 H THR A 33 -4.097 39.892 20.628 1.00 1.00 H new ATOM 0 HA THR A 33 -5.225 39.624 23.155 1.00 1.00 H new ATOM 0 HB THR A 33 -6.508 39.375 20.452 1.00 1.00 H new ATOM 0 HG1 THR A 33 -7.035 41.643 20.918 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.605 40.090 21.627 1.00 1.00 H new ATOM 0 HG22 THR A 33 -8.003 38.534 22.249 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.737 40.028 23.180 1.00 1.00 H new ATOM 489 N GLU A 34 -5.215 36.819 21.375 1.00 1.00 N ATOM 490 CA GLU A 34 -5.233 35.371 21.540 1.00 1.00 C ATOM 491 C GLU A 34 -4.246 34.877 22.593 1.00 1.00 C ATOM 492 O GLU A 34 -4.575 33.998 23.388 1.00 1.00 O ATOM 493 CB GLU A 34 -4.957 34.603 20.222 1.00 1.00 C ATOM 494 CG GLU A 34 -6.159 34.538 19.248 1.00 1.00 C ATOM 495 CD GLU A 34 -6.094 35.525 18.102 1.00 1.00 C ATOM 496 OE1 GLU A 34 -5.154 35.418 17.268 1.00 1.00 O ATOM 497 OE2 GLU A 34 -7.037 36.345 17.955 1.00 1.00 O ATOM 0 H GLU A 34 -4.916 37.125 20.449 1.00 1.00 H new ATOM 0 HA GLU A 34 -6.250 35.159 21.872 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -4.118 35.075 19.711 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.650 33.586 20.467 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -6.225 33.530 18.839 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -7.076 34.714 19.811 1.00 1.00 H new ATOM 504 N PHE A 35 -3.022 35.442 22.649 1.00 1.00 N ATOM 505 CA PHE A 35 -2.032 35.112 23.663 1.00 1.00 C ATOM 506 C PHE A 35 -2.512 35.421 25.085 1.00 1.00 C ATOM 507 O PHE A 35 -2.417 34.580 25.979 1.00 1.00 O ATOM 508 CB PHE A 35 -0.687 35.844 23.363 1.00 1.00 C ATOM 509 CG PHE A 35 0.390 35.369 24.304 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.045 34.153 24.065 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.646 36.060 25.503 1.00 1.00 C ATOM 512 CE1 PHE A 35 1.894 33.602 25.032 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.483 35.506 26.478 1.00 1.00 C ATOM 514 CZ PHE A 35 2.093 34.267 26.247 1.00 1.00 C ATOM 0 H PHE A 35 -2.703 36.144 21.981 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.874 34.035 23.616 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.386 35.658 22.332 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.821 36.921 23.467 1.00 1.00 H new ATOM 0 HD1 PHE A 35 0.894 33.638 23.128 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.193 37.026 25.672 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.395 32.665 24.841 1.00 1.00 H new ATOM 0 HE2 PHE A 35 1.658 36.032 27.405 1.00 1.00 H new ATOM 0 HZ PHE A 35 2.718 33.824 27.008 1.00 1.00 H new ATOM 524 N LYS A 36 -3.097 36.615 25.319 1.00 1.00 N ATOM 525 CA LYS A 36 -3.670 36.985 26.605 1.00 1.00 C ATOM 526 C LYS A 36 -4.829 36.075 27.011 1.00 1.00 C ATOM 527 O LYS A 36 -4.940 35.644 28.158 1.00 1.00 O ATOM 528 CB LYS A 36 -4.136 38.465 26.614 1.00 1.00 C ATOM 529 CG LYS A 36 -2.994 39.482 26.442 1.00 1.00 C ATOM 530 CD LYS A 36 -3.474 40.948 26.444 1.00 1.00 C ATOM 531 CE LYS A 36 -3.819 41.496 27.837 1.00 1.00 C ATOM 532 NZ LYS A 36 -4.242 42.903 27.742 1.00 1.00 N ATOM 0 H LYS A 36 -3.179 37.344 24.610 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.873 36.860 27.338 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -4.862 38.611 25.815 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.651 38.667 27.553 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -2.270 39.343 27.245 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -2.474 39.279 25.506 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -2.698 41.573 26.002 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -4.353 41.032 25.805 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.615 40.899 28.283 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -2.952 41.413 28.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -4.472 43.261 28.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -3.471 43.471 27.335 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -5.082 42.973 27.132 1.00 1.00 H new ATOM 546 N LEU A 37 -5.708 35.715 26.051 1.00 1.00 N ATOM 547 CA LEU A 37 -6.784 34.759 26.256 1.00 1.00 C ATOM 548 C LEU A 37 -6.290 33.360 26.612 1.00 1.00 C ATOM 549 O LEU A 37 -6.765 32.734 27.558 1.00 1.00 O ATOM 550 CB LEU A 37 -7.662 34.710 24.981 1.00 1.00 C ATOM 551 CG LEU A 37 -8.899 33.790 25.033 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.821 34.097 26.223 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.678 33.902 23.713 1.00 1.00 C ATOM 0 H LEU A 37 -5.678 36.093 25.104 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.366 35.100 27.112 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.999 35.723 24.759 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -7.036 34.393 24.147 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.541 32.770 25.172 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.674 33.418 26.207 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.270 33.965 27.154 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -10.175 35.126 26.153 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.552 33.252 23.750 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.999 34.933 23.566 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.036 33.600 22.885 1.00 1.00 H new ATOM 565 N LEU A 38 -5.268 32.854 25.895 1.00 1.00 N ATOM 566 CA LEU A 38 -4.624 31.587 26.187 1.00 1.00 C ATOM 567 C LEU A 38 -3.914 31.572 27.535 1.00 1.00 C ATOM 568 O LEU A 38 -3.993 30.601 28.283 1.00 1.00 O ATOM 569 CB LEU A 38 -3.656 31.186 25.050 1.00 1.00 C ATOM 570 CG LEU A 38 -3.094 29.749 25.141 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.189 28.669 25.164 1.00 1.00 C ATOM 572 CD2 LEU A 38 -2.129 29.485 23.978 1.00 1.00 C ATOM 0 H LEU A 38 -4.871 33.332 25.087 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.420 30.845 26.251 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.174 31.297 24.097 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.821 31.886 25.042 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.565 29.683 26.092 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.727 27.684 25.229 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.835 28.824 26.028 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.782 28.733 24.252 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.739 28.470 24.052 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.658 29.602 23.032 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.303 30.195 24.022 1.00 1.00 H new ATOM 584 N HIS A 39 -3.240 32.677 27.917 1.00 1.00 N ATOM 585 CA HIS A 39 -2.657 32.850 29.241 1.00 1.00 C ATOM 586 C HIS A 39 -3.695 32.786 30.359 1.00 1.00 C ATOM 587 O HIS A 39 -3.496 32.117 31.373 1.00 1.00 O ATOM 588 CB HIS A 39 -1.901 34.198 29.333 1.00 1.00 C ATOM 589 CG HIS A 39 -1.154 34.422 30.617 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.827 35.717 30.972 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.647 33.545 31.522 1.00 1.00 C ATOM 592 CE1 HIS A 39 -0.122 35.602 32.086 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.009 34.310 32.461 1.00 1.00 N ATOM 0 H HIS A 39 -3.090 33.475 27.300 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.965 32.019 29.378 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -1.195 34.259 28.505 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.618 35.009 29.201 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.739 32.469 31.508 1.00 1.00 H new ATOM 0 HE1 HIS A 39 0.297 36.437 32.628 1.00 1.00 H new ATOM 0 HE2 HIS A 39 0.502 33.966 33.285 1.00 1.00 H new ATOM 601 N PHE A 40 -4.863 33.438 30.179 1.00 1.00 N ATOM 602 CA PHE A 40 -5.987 33.328 31.094 1.00 1.00 C ATOM 603 C PHE A 40 -6.543 31.901 31.179 1.00 1.00 C ATOM 604 O PHE A 40 -6.778 31.374 32.263 1.00 1.00 O ATOM 605 CB PHE A 40 -7.089 34.345 30.687 1.00 1.00 C ATOM 606 CG PHE A 40 -8.168 34.453 31.734 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.873 34.955 33.013 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.475 34.018 31.458 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.861 35.006 34.004 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.467 34.073 32.445 1.00 1.00 C ATOM 611 CZ PHE A 40 -10.159 34.564 33.720 1.00 1.00 C ATOM 0 H PHE A 40 -5.040 34.055 29.387 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.630 33.568 32.095 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.638 35.325 30.528 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.532 34.040 29.739 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.875 35.305 33.234 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.717 33.638 30.476 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.622 35.386 34.986 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.469 33.737 32.223 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.922 34.602 34.483 1.00 1.00 H new ATOM 621 N PHE A 41 -6.709 31.206 30.039 1.00 1.00 N ATOM 622 CA PHE A 41 -7.098 29.803 30.003 1.00 1.00 C ATOM 623 C PHE A 41 -6.110 28.844 30.677 1.00 1.00 C ATOM 624 O PHE A 41 -6.498 27.976 31.453 1.00 1.00 O ATOM 625 CB PHE A 41 -7.303 29.357 28.528 1.00 1.00 C ATOM 626 CG PHE A 41 -8.589 29.821 27.878 1.00 1.00 C ATOM 627 CD1 PHE A 41 -9.648 30.466 28.553 1.00 1.00 C ATOM 628 CD2 PHE A 41 -8.755 29.521 26.514 1.00 1.00 C ATOM 629 CE1 PHE A 41 -10.836 30.785 27.882 1.00 1.00 C ATOM 630 CE2 PHE A 41 -9.939 29.843 25.840 1.00 1.00 C ATOM 631 CZ PHE A 41 -10.983 30.471 26.527 1.00 1.00 C ATOM 0 H PHE A 41 -6.573 31.615 29.114 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.022 29.743 30.577 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.465 29.724 27.936 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.269 28.268 28.488 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.541 30.716 29.598 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.955 29.034 25.977 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -11.640 31.274 28.412 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.046 29.607 24.792 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.901 30.713 26.012 1.00 1.00 H new ATOM 641 N MET A 42 -4.791 28.988 30.453 1.00 1.00 N ATOM 642 CA MET A 42 -3.791 28.096 31.027 1.00 1.00 C ATOM 643 C MET A 42 -3.478 28.386 32.494 1.00 1.00 C ATOM 644 O MET A 42 -2.884 27.570 33.201 1.00 1.00 O ATOM 645 CB MET A 42 -2.493 28.138 30.192 1.00 1.00 C ATOM 646 CG MET A 42 -2.684 27.526 28.786 1.00 1.00 C ATOM 647 SD MET A 42 -1.200 27.482 27.730 1.00 1.00 S ATOM 648 CE MET A 42 -0.232 26.268 28.670 1.00 1.00 C ATOM 0 H MET A 42 -4.399 29.727 29.869 1.00 1.00 H new ATOM 0 HA MET A 42 -4.225 27.096 30.996 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.159 29.171 30.095 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.707 27.597 30.718 1.00 1.00 H new ATOM 0 HG2 MET A 42 -3.055 26.507 28.901 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.459 28.090 28.267 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.548 25.852 28.032 1.00 1.00 H new ATOM 0 HE2 MET A 42 0.225 26.755 29.532 1.00 1.00 H new ATOM 0 HE3 MET A 42 -0.887 25.466 29.011 1.00 1.00 H new ATOM 658 N THR A 43 -3.916 29.546 33.015 1.00 1.00 N ATOM 659 CA THR A 43 -3.881 29.839 34.447 1.00 1.00 C ATOM 660 C THR A 43 -5.205 29.481 35.103 1.00 1.00 C ATOM 661 O THR A 43 -5.337 29.541 36.326 1.00 1.00 O ATOM 662 CB THR A 43 -3.578 31.304 34.760 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.394 32.195 34.015 1.00 1.00 O ATOM 664 CG2 THR A 43 -2.127 31.630 34.390 1.00 1.00 C ATOM 0 H THR A 43 -4.303 30.302 32.450 1.00 1.00 H new ATOM 0 HA THR A 43 -3.070 29.230 34.847 1.00 1.00 H new ATOM 0 HB THR A 43 -3.769 31.434 35.825 1.00 1.00 H new ATOM 0 HG1 THR A 43 -5.304 32.187 34.378 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.920 32.676 34.616 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.453 30.994 34.964 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.974 31.452 33.326 1.00 1.00 H new ATOM 672 N HIS A 44 -6.210 29.058 34.302 1.00 1.00 N ATOM 673 CA HIS A 44 -7.539 28.710 34.796 1.00 1.00 C ATOM 674 C HIS A 44 -8.216 27.550 34.050 1.00 1.00 C ATOM 675 O HIS A 44 -9.255 27.766 33.422 1.00 1.00 O ATOM 676 CB HIS A 44 -8.478 29.937 34.692 1.00 1.00 C ATOM 677 CG HIS A 44 -7.990 31.112 35.492 1.00 1.00 C ATOM 678 ND1 HIS A 44 -7.191 32.153 35.158 1.00 1.00 N flip ATOM 679 CD2 HIS A 44 -8.234 31.215 36.831 1.00 1.00 C flip ATOM 680 CE1 HIS A 44 -6.969 32.864 36.311 1.00 1.00 C flip ATOM 681 NE2 HIS A 44 -7.611 32.278 37.307 1.00 1.00 N flip ATOM 0 H HIS A 44 -6.109 28.952 33.293 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.381 28.391 35.826 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.572 30.229 33.646 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.474 29.657 35.036 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -8.841 30.535 37.410 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -6.367 33.757 36.391 1.00 1.00 H new ATOM 0 HE2 HIS A 44 -7.623 32.593 38.277 1.00 1.00 H new ATOM 690 N PRO A 45 -7.736 26.308 34.082 1.00 1.00 N ATOM 691 CA PRO A 45 -8.437 25.166 33.498 1.00 1.00 C ATOM 692 C PRO A 45 -9.627 24.721 34.343 1.00 1.00 C ATOM 693 O PRO A 45 -9.620 24.857 35.570 1.00 1.00 O ATOM 694 CB PRO A 45 -7.355 24.070 33.460 1.00 1.00 C ATOM 695 CG PRO A 45 -6.452 24.403 34.650 1.00 1.00 C ATOM 696 CD PRO A 45 -6.432 25.930 34.629 1.00 1.00 C ATOM 0 HA PRO A 45 -8.860 25.399 32.521 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.790 23.075 33.555 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.801 24.087 32.521 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -6.854 24.015 35.586 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.453 23.982 34.533 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.288 26.339 35.629 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.618 26.307 34.010 1.00 1.00 H new ATOM 704 N GLU A 46 -10.659 24.187 33.663 1.00 1.00 N ATOM 705 CA GLU A 46 -11.885 23.606 34.177 1.00 1.00 C ATOM 706 C GLU A 46 -12.768 24.518 35.010 1.00 1.00 C ATOM 707 O GLU A 46 -13.279 24.145 36.065 1.00 1.00 O ATOM 708 CB GLU A 46 -11.703 22.216 34.824 1.00 1.00 C ATOM 709 CG GLU A 46 -11.048 21.195 33.864 1.00 1.00 C ATOM 710 CD GLU A 46 -11.295 19.779 34.328 1.00 1.00 C ATOM 711 OE1 GLU A 46 -12.493 19.408 34.472 1.00 1.00 O ATOM 712 OE2 GLU A 46 -10.330 19.005 34.558 1.00 1.00 O ATOM 0 H GLU A 46 -10.640 24.155 32.644 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.455 23.455 33.260 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -11.089 22.313 35.719 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.674 21.838 35.143 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -11.448 21.327 32.859 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.975 21.381 33.807 1.00 1.00 H new ATOM 719 N ARG A 47 -13.008 25.733 34.497 1.00 1.00 N ATOM 720 CA ARG A 47 -13.991 26.664 35.002 1.00 1.00 C ATOM 721 C ARG A 47 -14.679 27.246 33.778 1.00 1.00 C ATOM 722 O ARG A 47 -14.188 27.094 32.658 1.00 1.00 O ATOM 723 CB ARG A 47 -13.349 27.797 35.847 1.00 1.00 C ATOM 724 CG ARG A 47 -12.653 27.325 37.145 1.00 1.00 C ATOM 725 CD ARG A 47 -13.602 26.785 38.224 1.00 1.00 C ATOM 726 NE ARG A 47 -12.771 26.461 39.424 1.00 1.00 N ATOM 727 CZ ARG A 47 -13.211 25.855 40.535 1.00 1.00 C ATOM 728 NH1 ARG A 47 -14.468 25.468 40.709 1.00 1.00 N ATOM 729 NH2 ARG A 47 -12.327 25.654 41.508 1.00 1.00 N ATOM 0 H ARG A 47 -12.498 26.094 33.691 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.689 26.154 35.666 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -12.619 28.322 35.230 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -14.123 28.519 36.108 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -11.933 26.547 36.892 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -12.088 28.159 37.562 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -14.363 27.525 38.472 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -14.125 25.897 37.867 1.00 1.00 H new ATOM 0 HE ARG A 47 -11.786 26.724 39.394 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -15.157 25.628 39.974 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -14.745 25.011 41.578 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -11.360 25.958 41.390 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -12.616 25.196 42.373 1.00 1.00 H new ATOM 743 N VAL A 48 -15.845 27.901 33.957 1.00 1.00 N ATOM 744 CA VAL A 48 -16.625 28.456 32.858 1.00 1.00 C ATOM 745 C VAL A 48 -16.633 29.965 32.976 1.00 1.00 C ATOM 746 O VAL A 48 -16.847 30.529 34.051 1.00 1.00 O ATOM 747 CB VAL A 48 -18.073 27.965 32.822 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.803 28.462 31.553 1.00 1.00 C ATOM 749 CG2 VAL A 48 -18.094 26.426 32.854 1.00 1.00 C ATOM 0 H VAL A 48 -16.263 28.054 34.874 1.00 1.00 H new ATOM 0 HA VAL A 48 -16.150 28.120 31.936 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.590 28.366 33.694 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.830 28.096 31.557 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.806 29.552 31.538 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.288 28.089 30.668 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.126 26.076 32.828 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.557 26.037 31.989 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.614 26.074 33.767 1.00 1.00 H new ATOM 759 N TYR A 49 -16.388 30.650 31.850 1.00 1.00 N ATOM 760 CA TYR A 49 -16.321 32.094 31.767 1.00 1.00 C ATOM 761 C TYR A 49 -17.257 32.565 30.685 1.00 1.00 C ATOM 762 O TYR A 49 -17.233 32.083 29.551 1.00 1.00 O ATOM 763 CB TYR A 49 -14.892 32.581 31.425 1.00 1.00 C ATOM 764 CG TYR A 49 -13.954 32.204 32.533 1.00 1.00 C ATOM 765 CD1 TYR A 49 -13.978 32.910 33.747 1.00 1.00 C ATOM 766 CD2 TYR A 49 -13.070 31.120 32.390 1.00 1.00 C ATOM 767 CE1 TYR A 49 -13.142 32.534 34.807 1.00 1.00 C ATOM 768 CE2 TYR A 49 -12.232 30.744 33.448 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.273 31.450 34.654 1.00 1.00 C ATOM 770 OH TYR A 49 -11.441 31.053 35.714 1.00 1.00 O ATOM 0 H TYR A 49 -16.228 30.191 30.953 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.602 32.501 32.738 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.560 32.136 30.487 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.889 33.662 31.284 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -14.647 33.750 33.865 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -13.037 30.574 31.459 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -13.169 33.080 35.739 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.555 29.910 33.332 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.646 30.127 35.962 1.00 1.00 H new ATOM 780 N SER A 50 -18.118 33.542 31.019 1.00 1.00 N ATOM 781 CA SER A 50 -18.930 34.246 30.048 1.00 1.00 C ATOM 782 C SER A 50 -18.101 35.194 29.200 1.00 1.00 C ATOM 783 O SER A 50 -16.970 35.544 29.531 1.00 1.00 O ATOM 784 CB SER A 50 -20.094 35.041 30.697 1.00 1.00 C ATOM 785 OG SER A 50 -19.623 36.111 31.519 1.00 1.00 O ATOM 0 H SER A 50 -18.261 33.857 31.979 1.00 1.00 H new ATOM 0 HA SER A 50 -19.356 33.468 29.414 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.738 35.442 29.915 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.704 34.365 31.297 1.00 1.00 H new ATOM 0 HG SER A 50 -20.387 36.586 31.907 1.00 1.00 H new ATOM 791 N ARG A 51 -18.656 35.658 28.069 1.00 1.00 N ATOM 792 CA ARG A 51 -18.029 36.653 27.222 1.00 1.00 C ATOM 793 C ARG A 51 -17.771 37.968 27.958 1.00 1.00 C ATOM 794 O ARG A 51 -16.724 38.580 27.783 1.00 1.00 O ATOM 795 CB ARG A 51 -18.824 36.826 25.907 1.00 1.00 C ATOM 796 CG ARG A 51 -18.797 35.526 25.070 1.00 1.00 C ATOM 797 CD ARG A 51 -19.737 35.514 23.862 1.00 1.00 C ATOM 798 NE ARG A 51 -19.575 34.179 23.199 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.284 33.087 23.486 1.00 1.00 C ATOM 800 NH1 ARG A 51 -21.083 32.976 24.540 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.175 32.049 22.665 1.00 1.00 N ATOM 0 H ARG A 51 -19.562 35.342 27.724 1.00 1.00 H new ATOM 0 HA ARG A 51 -17.039 36.290 26.948 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.855 37.096 26.134 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.401 37.646 25.327 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.778 35.358 24.720 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -19.053 34.689 25.719 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.770 35.667 24.175 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.490 36.321 23.172 1.00 1.00 H new ATOM 0 HE ARG A 51 -18.866 34.100 22.470 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.182 33.756 25.189 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.598 32.110 24.701 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.565 32.106 21.849 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.701 31.195 22.850 1.00 1.00 H new ATOM 815 N GLU A 52 -18.669 38.391 28.881 1.00 1.00 N ATOM 816 CA GLU A 52 -18.408 39.489 29.787 1.00 1.00 C ATOM 817 C GLU A 52 -17.211 39.269 30.719 1.00 1.00 C ATOM 818 O GLU A 52 -16.405 40.190 30.884 1.00 1.00 O ATOM 819 CB GLU A 52 -19.624 39.825 30.692 1.00 1.00 C ATOM 820 CG GLU A 52 -20.854 40.382 29.928 1.00 1.00 C ATOM 821 CD GLU A 52 -21.726 39.339 29.254 1.00 1.00 C ATOM 822 OE1 GLU A 52 -21.576 38.120 29.519 1.00 1.00 O ATOM 823 OE2 GLU A 52 -22.621 39.759 28.471 1.00 1.00 O ATOM 0 H GLU A 52 -19.589 37.967 29.002 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.188 40.313 29.108 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -19.922 38.925 31.229 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.315 40.555 31.440 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -21.469 40.949 30.627 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -20.504 41.083 29.171 1.00 1.00 H new ATOM 830 N GLN A 53 -17.000 38.073 31.318 1.00 1.00 N ATOM 831 CA GLN A 53 -15.888 37.829 32.177 1.00 1.00 C ATOM 832 C GLN A 53 -14.582 37.725 31.362 1.00 1.00 C ATOM 833 O GLN A 53 -13.539 38.314 31.800 1.00 1.00 O ATOM 834 CB GLN A 53 -16.038 36.386 32.862 1.00 1.00 C ATOM 835 CG GLN A 53 -17.204 36.431 33.907 1.00 1.00 C ATOM 836 CD GLN A 53 -17.457 35.020 34.446 1.00 1.00 C ATOM 837 OE1 GLN A 53 -18.256 34.252 33.898 1.00 1.00 O ATOM 838 NE2 GLN A 53 -16.769 34.664 35.551 1.00 1.00 N ATOM 0 H GLN A 53 -17.615 37.268 31.199 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.861 38.645 32.899 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -16.242 35.630 32.104 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -15.106 36.104 33.351 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -16.948 37.105 34.725 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -18.109 36.823 33.442 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -16.117 35.321 35.979 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -16.901 33.738 35.958 1.00 1.00 H new ATOM 847 N LEU A 54 -14.643 37.189 30.114 1.00 1.00 N ATOM 848 CA LEU A 54 -13.282 37.140 29.424 1.00 1.00 C ATOM 849 C LEU A 54 -13.130 38.621 28.730 1.00 1.00 C ATOM 850 O LEU A 54 -11.860 38.930 28.829 1.00 1.00 O ATOM 851 CB LEU A 54 -13.779 36.303 27.924 1.00 1.00 C ATOM 852 CG LEU A 54 -13.866 34.801 28.395 1.00 1.00 C ATOM 853 CD1 LEU A 54 -14.237 33.994 27.099 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.648 34.197 29.049 1.00 1.00 C ATOM 0 H LEU A 54 -15.458 36.834 29.614 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.458 36.784 30.043 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.736 36.669 27.551 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -13.052 36.437 27.123 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.598 34.756 29.201 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.317 32.934 27.341 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -15.190 34.350 26.709 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.461 34.137 26.347 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.856 33.162 29.319 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.808 34.230 28.355 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.399 34.763 29.947 1.00 1.00 H new ATOM 866 N LEU A 55 -14.033 39.523 28.491 1.00 1.00 N ATOM 867 CA LEU A 55 -13.664 40.820 28.152 1.00 1.00 C ATOM 868 C LEU A 55 -13.135 41.641 29.379 1.00 1.00 C ATOM 869 O LEU A 55 -12.105 42.301 29.223 1.00 1.00 O ATOM 870 CB LEU A 55 -15.026 41.651 27.700 1.00 1.00 C ATOM 871 CG LEU A 55 -15.446 41.245 26.272 1.00 1.00 C ATOM 872 CD1 LEU A 55 -16.809 41.853 25.920 1.00 1.00 C ATOM 873 CD2 LEU A 55 -14.408 41.657 25.216 1.00 1.00 C ATOM 0 H LEU A 55 -15.039 39.359 28.531 1.00 1.00 H new ATOM 0 HA LEU A 55 -12.898 40.726 27.382 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -15.837 41.443 28.399 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -14.837 42.724 27.741 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.515 40.157 26.262 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.090 41.556 24.909 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -17.560 41.496 26.625 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -16.748 42.940 25.975 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -14.751 41.348 24.229 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.281 42.739 25.234 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -13.455 41.176 25.436 1.00 1.00 H new ATOM 885 N ASN A 56 -13.640 41.395 30.609 1.00 1.00 N ATOM 886 CA ASN A 56 -13.133 41.988 31.802 1.00 1.00 C ATOM 887 C ASN A 56 -11.702 41.548 32.165 1.00 1.00 C ATOM 888 O ASN A 56 -10.844 42.357 32.519 1.00 1.00 O ATOM 889 CB ASN A 56 -14.115 41.622 32.966 1.00 1.00 C ATOM 890 CG ASN A 56 -13.902 42.442 34.230 1.00 1.00 C ATOM 891 OD1 ASN A 56 -13.409 41.935 35.241 1.00 1.00 O ATOM 892 ND2 ASN A 56 -14.294 43.732 34.192 1.00 1.00 N ATOM 0 H ASN A 56 -14.425 40.764 30.771 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.071 43.064 31.639 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -15.140 41.762 32.622 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -14.001 40.565 33.206 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -14.187 44.322 35.017 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -14.698 44.117 33.338 1.00 1.00 H new ATOM 899 N HIS A 57 -11.393 40.239 32.042 1.00 1.00 N ATOM 900 CA HIS A 57 -10.103 39.715 32.452 1.00 1.00 C ATOM 901 C HIS A 57 -9.029 39.706 31.376 1.00 1.00 C ATOM 902 O HIS A 57 -7.842 39.734 31.699 1.00 1.00 O ATOM 903 CB HIS A 57 -10.225 38.265 32.968 1.00 1.00 C ATOM 904 CG HIS A 57 -11.109 38.151 34.168 1.00 1.00 C ATOM 905 ND1 HIS A 57 -10.826 38.883 35.311 1.00 1.00 N ATOM 906 CD2 HIS A 57 -12.199 37.368 34.364 1.00 1.00 C ATOM 907 CE1 HIS A 57 -11.761 38.526 36.178 1.00 1.00 C ATOM 908 NE2 HIS A 57 -12.612 37.614 35.652 1.00 1.00 N ATOM 0 H HIS A 57 -12.029 39.539 31.661 1.00 1.00 H new ATOM 0 HA HIS A 57 -9.792 40.410 33.232 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.617 37.632 32.172 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.233 37.887 33.216 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -12.650 36.690 33.654 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -11.836 38.915 37.183 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -13.410 37.189 36.123 1.00 1.00 H new ATOM 916 N VAL A 58 -9.392 39.666 30.078 1.00 1.00 N ATOM 917 CA VAL A 58 -8.419 39.524 28.998 1.00 1.00 C ATOM 918 C VAL A 58 -8.224 40.833 28.262 1.00 1.00 C ATOM 919 O VAL A 58 -7.130 41.391 28.242 1.00 1.00 O ATOM 920 CB VAL A 58 -8.831 38.425 28.023 1.00 1.00 C ATOM 921 CG1 VAL A 58 -7.860 38.322 26.833 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.881 37.091 28.791 1.00 1.00 C ATOM 0 H VAL A 58 -10.359 39.731 29.761 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.469 39.240 29.452 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.811 38.665 27.611 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -8.189 37.528 26.163 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -7.844 39.269 26.293 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -6.858 38.096 27.199 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -9.174 36.291 28.111 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.897 36.873 29.206 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.608 37.164 29.600 1.00 1.00 H new ATOM 932 N TRP A 59 -9.294 41.357 27.629 1.00 1.00 N ATOM 933 CA TRP A 59 -9.267 42.593 26.867 1.00 1.00 C ATOM 934 C TRP A 59 -9.003 43.812 27.745 1.00 1.00 C ATOM 935 O TRP A 59 -8.219 44.699 27.396 1.00 1.00 O ATOM 936 CB TRP A 59 -10.600 42.791 26.094 1.00 1.00 C ATOM 937 CG TRP A 59 -10.722 42.035 24.774 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.611 42.552 23.513 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.027 40.636 24.605 1.00 1.00 C ATOM 940 NE1 TRP A 59 -10.837 41.577 22.567 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.095 40.391 23.216 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.257 39.615 25.519 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.384 39.121 22.732 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.520 38.328 25.032 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.575 38.080 23.654 1.00 1.00 C ATOM 0 H TRP A 59 -10.212 40.913 27.642 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.442 42.504 26.160 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.422 42.487 26.742 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -10.728 43.855 25.895 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.378 43.583 23.290 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.817 41.711 21.556 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.234 39.809 26.581 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.460 38.939 21.670 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -11.682 37.517 25.727 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.766 37.078 23.298 1.00 1.00 H new ATOM 956 N GLY A 60 -9.648 43.855 28.925 1.00 1.00 N ATOM 957 CA GLY A 60 -9.513 44.942 29.884 1.00 1.00 C ATOM 958 C GLY A 60 -10.760 45.774 29.993 1.00 1.00 C ATOM 959 O GLY A 60 -11.741 45.604 29.272 1.00 1.00 O ATOM 0 H GLY A 60 -10.284 43.120 29.234 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -9.269 44.530 30.863 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -8.679 45.580 29.590 1.00 1.00 H new ATOM 963 N THR A 61 -10.758 46.724 30.936 1.00 1.00 N ATOM 964 CA THR A 61 -11.952 47.457 31.360 1.00 1.00 C ATOM 965 C THR A 61 -12.052 48.807 30.685 1.00 1.00 C ATOM 966 O THR A 61 -13.022 49.544 30.846 1.00 1.00 O ATOM 967 CB THR A 61 -12.054 47.647 32.871 1.00 1.00 C ATOM 968 OG1 THR A 61 -11.001 48.433 33.419 1.00 1.00 O ATOM 969 CG2 THR A 61 -11.978 46.271 33.544 1.00 1.00 C ATOM 0 H THR A 61 -9.913 47.008 31.432 1.00 1.00 H new ATOM 0 HA THR A 61 -12.786 46.827 31.050 1.00 1.00 H new ATOM 0 HB THR A 61 -12.996 48.164 33.054 1.00 1.00 H new ATOM 0 HG1 THR A 61 -11.126 48.518 34.387 1.00 1.00 H new ATOM 0 HG21 THR A 61 -12.050 46.390 34.625 1.00 1.00 H new ATOM 0 HG22 THR A 61 -12.800 45.648 33.192 1.00 1.00 H new ATOM 0 HG23 THR A 61 -11.030 45.795 33.293 1.00 1.00 H new ATOM 977 N ASN A 62 -11.066 49.120 29.827 1.00 1.00 N ATOM 978 CA ASN A 62 -11.040 50.277 28.958 1.00 1.00 C ATOM 979 C ASN A 62 -11.582 49.909 27.579 1.00 1.00 C ATOM 980 O ASN A 62 -11.513 50.682 26.625 1.00 1.00 O ATOM 981 CB ASN A 62 -9.584 50.823 28.844 1.00 1.00 C ATOM 982 CG ASN A 62 -8.589 49.809 28.271 1.00 1.00 C ATOM 983 OD1 ASN A 62 -8.497 48.656 28.705 1.00 1.00 O ATOM 984 ND2 ASN A 62 -7.813 50.233 27.249 1.00 1.00 N ATOM 0 H ASN A 62 -10.234 48.538 29.727 1.00 1.00 H new ATOM 0 HA ASN A 62 -11.673 51.056 29.382 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -9.587 51.712 28.213 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -9.244 51.134 29.832 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -7.138 49.598 26.823 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -7.902 51.188 26.903 1.00 1.00 H new ATOM 991 N VAL A 63 -12.121 48.686 27.452 1.00 1.00 N ATOM 992 CA VAL A 63 -12.530 48.082 26.204 1.00 1.00 C ATOM 993 C VAL A 63 -14.017 47.819 26.230 1.00 1.00 C ATOM 994 O VAL A 63 -14.610 47.396 27.226 1.00 1.00 O ATOM 995 CB VAL A 63 -11.738 46.807 25.939 1.00 1.00 C ATOM 996 CG1 VAL A 63 -12.252 46.047 24.703 1.00 1.00 C ATOM 997 CG2 VAL A 63 -10.250 47.163 25.747 1.00 1.00 C ATOM 0 H VAL A 63 -12.284 48.079 28.255 1.00 1.00 H new ATOM 0 HA VAL A 63 -12.319 48.769 25.385 1.00 1.00 H new ATOM 0 HB VAL A 63 -11.865 46.151 26.800 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -11.656 45.146 24.556 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -13.296 45.771 24.854 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -12.169 46.685 23.823 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -9.680 46.254 25.557 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -10.144 47.841 24.900 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -9.872 47.647 26.648 1.00 1.00 H new ATOM 1007 N TYR A 64 -14.650 48.148 25.095 1.00 1.00 N ATOM 1008 CA TYR A 64 -16.060 48.481 25.025 1.00 1.00 C ATOM 1009 C TYR A 64 -16.791 47.831 23.865 1.00 1.00 C ATOM 1010 O TYR A 64 -17.970 48.082 23.613 1.00 1.00 O ATOM 1011 CB TYR A 64 -16.142 50.014 24.845 1.00 1.00 C ATOM 1012 CG TYR A 64 -16.054 50.718 26.167 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -17.154 50.705 27.040 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -14.889 51.404 26.549 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -17.090 51.364 28.275 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -14.822 52.062 27.786 1.00 1.00 C ATOM 1017 CZ TYR A 64 -15.926 52.042 28.646 1.00 1.00 C ATOM 1018 OH TYR A 64 -15.888 52.724 29.876 1.00 1.00 O ATOM 0 H TYR A 64 -14.179 48.188 24.191 1.00 1.00 H new ATOM 0 HA TYR A 64 -16.538 48.116 25.934 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -15.334 50.351 24.196 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -17.078 50.276 24.351 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -18.056 50.183 26.757 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -14.038 51.425 25.885 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -17.941 51.348 28.940 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -13.921 52.583 28.074 1.00 1.00 H new ATOM 0 HH TYR A 64 -15.010 53.144 29.990 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.069 46.961 23.166 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.484 46.097 22.065 1.00 1.00 C ATOM 1030 C VAL A 65 -17.766 45.285 22.251 1.00 1.00 C ATOM 1031 O VAL A 65 -18.320 45.159 23.345 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.359 45.178 21.604 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.159 46.018 21.159 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -14.926 44.206 22.707 1.00 1.00 C ATOM 0 H VAL A 65 -15.080 46.830 23.377 1.00 1.00 H new ATOM 0 HA VAL A 65 -16.731 46.826 21.294 1.00 1.00 H new ATOM 0 HB VAL A 65 -15.734 44.587 20.768 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.356 45.359 20.830 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.455 46.668 20.336 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -13.811 46.626 21.994 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.122 43.570 22.336 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.573 44.770 23.571 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -15.774 43.587 22.999 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.271 44.684 21.152 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.392 43.766 21.192 1.00 1.00 C ATOM 1046 C GLU A 66 -18.921 42.382 21.625 1.00 1.00 C ATOM 1047 O GLU A 66 -17.727 42.098 21.723 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.128 43.658 19.829 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.433 45.023 19.163 1.00 1.00 C ATOM 1050 CD GLU A 66 -21.292 44.944 17.902 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -22.096 45.791 17.547 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -21.054 43.837 17.126 1.00 1.00 O ATOM 0 H GLU A 66 -17.899 44.834 20.214 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.101 44.167 21.916 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.522 43.061 19.148 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -21.065 43.121 19.976 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -20.937 45.661 19.889 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -19.489 45.508 18.913 1.00 1.00 H new ATOM 1060 N ASP A 67 -19.850 41.450 21.901 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.515 40.167 22.483 1.00 1.00 C ATOM 1062 C ASP A 67 -18.868 39.241 21.458 1.00 1.00 C ATOM 1063 O ASP A 67 -18.171 38.289 21.796 1.00 1.00 O ATOM 1064 CB ASP A 67 -20.783 39.478 23.059 1.00 1.00 C ATOM 1065 CG ASP A 67 -21.521 40.386 24.011 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -22.247 41.301 23.533 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -21.445 40.196 25.251 1.00 1.00 O ATOM 0 H ASP A 67 -20.846 41.578 21.723 1.00 1.00 H new ATOM 0 HA ASP A 67 -18.803 40.355 23.286 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.445 39.190 22.242 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -20.498 38.562 23.576 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.056 39.513 20.153 1.00 1.00 N ATOM 1073 CA ARG A 68 -18.687 38.614 19.104 1.00 1.00 C ATOM 1074 C ARG A 68 -17.272 38.777 18.609 1.00 1.00 C ATOM 1075 O ARG A 68 -16.774 37.919 17.883 1.00 1.00 O ATOM 1076 CB ARG A 68 -19.711 38.784 17.972 1.00 1.00 C ATOM 1077 CG ARG A 68 -20.776 37.681 18.059 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.682 37.606 19.298 1.00 1.00 C ATOM 1079 NE ARG A 68 -21.832 36.150 19.561 1.00 1.00 N ATOM 1080 CZ ARG A 68 -22.533 35.584 20.546 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -23.463 36.233 21.228 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -22.265 34.309 20.812 1.00 1.00 N ATOM 0 H ARG A 68 -19.476 40.381 19.819 1.00 1.00 H new ATOM 0 HA ARG A 68 -18.703 37.599 19.501 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.183 39.764 18.042 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.208 38.741 17.006 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.422 37.780 17.187 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -20.264 36.723 17.969 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.234 38.119 20.149 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -22.647 38.078 19.113 1.00 1.00 H new ATOM 0 HE ARG A 68 -21.349 35.518 18.922 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -23.669 37.208 21.009 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -23.973 35.759 21.973 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -21.554 33.814 20.273 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -22.770 33.826 21.555 1.00 1.00 H new ATOM 1096 N THR A 69 -16.512 39.796 19.064 1.00 1.00 N ATOM 1097 CA THR A 69 -15.069 39.740 18.857 1.00 1.00 C ATOM 1098 C THR A 69 -14.415 38.708 19.774 1.00 1.00 C ATOM 1099 O THR A 69 -13.346 38.169 19.480 1.00 1.00 O ATOM 1100 CB THR A 69 -14.431 41.115 18.900 1.00 1.00 C ATOM 1101 OG1 THR A 69 -13.090 41.114 18.423 1.00 1.00 O ATOM 1102 CG2 THR A 69 -14.412 41.745 20.279 1.00 1.00 C ATOM 0 H THR A 69 -16.859 40.622 19.551 1.00 1.00 H new ATOM 0 HA THR A 69 -14.884 39.385 17.843 1.00 1.00 H new ATOM 0 HB THR A 69 -15.072 41.705 18.245 1.00 1.00 H new ATOM 0 HG1 THR A 69 -12.725 42.022 18.470 1.00 1.00 H new ATOM 0 HG21 THR A 69 -13.940 42.726 20.224 1.00 1.00 H new ATOM 0 HG22 THR A 69 -15.434 41.854 20.643 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.849 41.109 20.962 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.099 38.293 20.870 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.730 37.090 21.607 1.00 1.00 C ATOM 1112 C VAL A 70 -14.905 35.832 20.756 1.00 1.00 C ATOM 1113 O VAL A 70 -13.960 35.060 20.614 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.486 36.928 22.927 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.885 35.767 23.748 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.410 38.237 23.741 1.00 1.00 C ATOM 0 H VAL A 70 -15.907 38.784 21.251 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.675 37.217 21.851 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.529 36.702 22.707 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.432 35.663 24.685 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -14.961 34.841 23.178 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.837 35.977 23.961 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -15.951 38.114 24.679 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.367 38.475 23.951 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -15.858 39.048 23.168 1.00 1.00 H new ATOM 1126 N ASP A 71 -16.068 35.644 20.082 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.329 34.511 19.195 1.00 1.00 C ATOM 1128 C ASP A 71 -15.328 34.414 18.041 1.00 1.00 C ATOM 1129 O ASP A 71 -14.809 33.337 17.735 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.745 34.572 18.538 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.907 34.430 19.500 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.732 34.550 20.732 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -20.048 34.227 18.997 1.00 1.00 O ATOM 0 H ASP A 71 -16.853 36.291 20.149 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.244 33.645 19.851 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.843 35.521 18.011 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -17.815 33.783 17.789 1.00 1.00 H new ATOM 1138 N VAL A 72 -15.015 35.557 17.391 1.00 1.00 N ATOM 1139 CA VAL A 72 -14.008 35.667 16.341 1.00 1.00 C ATOM 1140 C VAL A 72 -12.603 35.345 16.834 1.00 1.00 C ATOM 1141 O VAL A 72 -11.880 34.557 16.231 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.052 37.055 15.700 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -12.868 37.299 14.738 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.384 37.187 14.933 1.00 1.00 C ATOM 0 H VAL A 72 -15.474 36.445 17.596 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.253 34.918 15.588 1.00 1.00 H new ATOM 0 HB VAL A 72 -13.975 37.803 16.489 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -12.947 38.298 14.310 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.930 37.212 15.286 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -12.891 36.559 13.938 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.439 38.170 14.466 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.439 36.417 14.164 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.217 37.067 15.626 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.169 35.883 17.993 1.00 1.00 N ATOM 1155 CA HIS A 73 -10.848 35.567 18.522 1.00 1.00 C ATOM 1156 C HIS A 73 -10.742 34.130 19.044 1.00 1.00 C ATOM 1157 O HIS A 73 -9.675 33.528 18.989 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.424 36.520 19.665 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.027 37.902 19.213 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -8.790 38.169 18.691 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -10.652 39.093 19.359 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -8.655 39.480 18.552 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -9.769 40.057 18.963 1.00 1.00 N ATOM 0 H HIS A 73 -12.714 36.528 18.565 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.179 35.692 17.671 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.248 36.606 20.373 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -9.587 36.073 20.202 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.086 37.472 18.448 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -11.658 39.251 19.720 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -7.783 39.989 18.168 1.00 1.00 H new ATOM 1172 N ILE A 74 -11.843 33.520 19.538 1.00 1.00 N ATOM 1173 CA ILE A 74 -11.923 32.095 19.873 1.00 1.00 C ATOM 1174 C ILE A 74 -11.679 31.205 18.656 1.00 1.00 C ATOM 1175 O ILE A 74 -10.911 30.243 18.723 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.259 31.774 20.554 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.263 32.257 22.028 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.650 30.282 20.465 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.487 31.367 23.008 1.00 1.00 C ATOM 0 H ILE A 74 -12.713 34.021 19.715 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.123 31.876 20.581 1.00 1.00 H new ATOM 0 HB ILE A 74 -14.020 32.324 20.000 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -12.844 33.263 22.065 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.296 32.329 22.367 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.605 30.126 20.967 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.738 29.991 19.418 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.883 29.676 20.947 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.550 31.789 24.011 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.917 30.365 23.008 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.442 31.313 22.702 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.262 31.544 17.482 1.00 1.00 N ATOM 1192 CA ARG A 75 -11.952 30.892 16.215 1.00 1.00 C ATOM 1193 C ARG A 75 -10.480 31.040 15.835 1.00 1.00 C ATOM 1194 O ARG A 75 -9.822 30.077 15.450 1.00 1.00 O ATOM 1195 CB ARG A 75 -12.865 31.444 15.082 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.484 31.050 13.633 1.00 1.00 C ATOM 1197 CD ARG A 75 -12.410 29.542 13.366 1.00 1.00 C ATOM 1198 NE ARG A 75 -11.938 29.365 11.960 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.695 28.174 11.401 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -11.710 27.041 12.091 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -11.446 28.100 10.100 1.00 1.00 N ATOM 0 H ARG A 75 -12.962 32.282 17.401 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.147 29.827 16.343 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.884 31.107 15.270 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.872 32.532 15.149 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -13.212 31.489 12.951 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -11.517 31.493 13.395 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -11.726 29.061 14.065 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.387 29.078 13.505 1.00 1.00 H new ATOM 0 HE ARG A 75 -11.793 30.200 11.393 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -11.913 27.055 13.091 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -11.519 26.156 11.622 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.441 28.948 9.533 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -11.260 27.195 9.667 1.00 1.00 H new ATOM 1215 N ARG A 76 -9.904 32.244 15.993 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.490 32.502 15.771 1.00 1.00 C ATOM 1217 C ARG A 76 -7.558 31.720 16.697 1.00 1.00 C ATOM 1218 O ARG A 76 -6.490 31.266 16.284 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.193 34.015 15.874 1.00 1.00 C ATOM 1220 CG ARG A 76 -8.909 34.825 14.767 1.00 1.00 C ATOM 1221 CD ARG A 76 -8.954 36.342 14.840 1.00 1.00 C ATOM 1222 NE ARG A 76 -7.600 36.648 15.241 1.00 1.00 N ATOM 1223 CZ ARG A 76 -6.537 36.895 14.457 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -6.636 37.129 13.156 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -5.343 36.930 15.038 1.00 1.00 N ATOM 0 H ARG A 76 -10.425 33.072 16.283 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.281 32.147 14.762 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.508 34.380 16.851 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.118 34.179 15.804 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.441 34.560 13.819 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -9.939 34.472 14.723 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -9.210 36.792 13.881 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -9.687 36.697 15.564 1.00 1.00 H new ATOM 0 HE ARG A 76 -7.430 36.681 16.246 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -7.551 37.127 12.706 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -5.797 37.311 12.605 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -5.260 36.773 16.042 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -4.509 37.114 14.480 1.00 1.00 H new ATOM 1239 N LEU A 77 -7.931 31.538 17.979 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.220 30.683 18.917 1.00 1.00 C ATOM 1241 C LEU A 77 -7.268 29.203 18.541 1.00 1.00 C ATOM 1242 O LEU A 77 -6.242 28.525 18.509 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.760 30.905 20.352 1.00 1.00 C ATOM 1244 CG LEU A 77 -6.992 30.171 21.474 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.506 30.560 21.527 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.647 30.446 22.836 1.00 1.00 C ATOM 0 H LEU A 77 -8.748 31.993 18.386 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.169 30.970 18.874 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.746 31.974 20.565 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.802 30.588 20.382 1.00 1.00 H new ATOM 0 HG LEU A 77 -7.043 29.107 21.245 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -5.016 30.015 22.333 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -5.031 30.310 20.578 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.417 31.631 21.707 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.096 29.923 23.617 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.633 31.517 23.037 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.678 30.093 22.822 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.449 28.662 18.165 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.570 27.333 17.593 1.00 1.00 C ATOM 1260 C ARG A 78 -7.778 27.135 16.304 1.00 1.00 C ATOM 1261 O ARG A 78 -7.082 26.136 16.146 1.00 1.00 O ATOM 1262 CB ARG A 78 -10.061 27.046 17.334 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.853 26.857 18.638 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.366 26.994 18.457 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.957 26.426 19.700 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.227 26.605 20.092 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -15.042 27.440 19.459 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.693 25.918 21.133 1.00 1.00 N ATOM 0 H ARG A 78 -9.340 29.150 18.257 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.144 26.635 18.314 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.494 27.869 16.765 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -10.155 26.150 16.721 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.632 25.872 19.049 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.514 27.591 19.369 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.655 28.037 18.324 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.708 26.453 17.575 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.353 25.860 20.296 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.707 27.966 18.652 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.003 27.556 19.780 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -14.086 25.263 21.625 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.657 26.047 21.439 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.804 28.110 15.374 1.00 1.00 N ATOM 1283 CA LYS A 79 -7.023 28.097 14.146 1.00 1.00 C ATOM 1284 C LYS A 79 -5.515 28.039 14.392 1.00 1.00 C ATOM 1285 O LYS A 79 -4.783 27.290 13.743 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.364 29.359 13.310 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.765 29.399 11.892 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.419 28.385 10.939 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.745 28.284 9.565 1.00 1.00 C ATOM 1290 NZ LYS A 79 -6.919 29.513 8.778 1.00 1.00 N ATOM 0 H LYS A 79 -8.386 28.942 15.469 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.289 27.188 13.606 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.448 29.438 13.229 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -7.020 30.238 13.855 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -6.880 30.402 11.482 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -5.695 29.199 11.949 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -7.407 27.402 11.410 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -8.465 28.658 10.798 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -5.682 28.084 9.696 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -7.163 27.440 9.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -6.449 29.405 7.856 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -7.933 29.690 8.631 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -6.498 30.315 9.289 1.00 1.00 H new ATOM 1304 N ALA A 80 -5.021 28.810 15.378 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.645 28.793 15.829 1.00 1.00 C ATOM 1306 C ALA A 80 -3.187 27.475 16.455 1.00 1.00 C ATOM 1307 O ALA A 80 -2.059 27.030 16.232 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.425 29.940 16.829 1.00 1.00 C ATOM 0 H ALA A 80 -5.598 29.478 15.889 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.037 28.918 14.933 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.390 29.931 17.171 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.638 30.892 16.343 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.091 29.811 17.683 1.00 1.00 H new ATOM 1314 N LEU A 81 -4.047 26.797 17.250 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.669 25.605 17.973 1.00 1.00 C ATOM 1316 C LEU A 81 -3.994 24.352 17.176 1.00 1.00 C ATOM 1317 O LEU A 81 -3.655 23.246 17.595 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.444 25.536 19.314 1.00 1.00 C ATOM 1319 CG LEU A 81 -4.122 26.646 20.338 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -5.142 26.605 21.487 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.699 26.536 20.903 1.00 1.00 C ATOM 0 H LEU A 81 -5.017 27.077 17.395 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.594 25.653 18.149 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.512 25.568 19.096 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -4.242 24.571 19.778 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.186 27.598 19.811 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.911 27.390 22.207 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.145 26.761 21.089 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -5.095 25.634 21.981 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.528 27.341 21.617 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.580 25.575 21.404 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -1.978 26.613 20.090 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.629 24.486 15.991 1.00 1.00 N ATOM 1334 CA GLU A 82 -4.904 23.388 15.077 1.00 1.00 C ATOM 1335 C GLU A 82 -3.660 22.685 14.520 1.00 1.00 C ATOM 1336 O GLU A 82 -3.614 21.458 14.645 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.873 23.822 13.941 1.00 1.00 C ATOM 1338 CG GLU A 82 -6.361 22.650 13.050 1.00 1.00 C ATOM 1339 CD GLU A 82 -7.330 23.098 11.957 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -7.466 24.230 11.522 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -8.078 22.057 11.477 1.00 1.00 O ATOM 0 H GLU A 82 -4.966 25.386 15.648 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.399 22.633 15.688 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.739 24.314 14.384 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.374 24.560 13.313 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -5.499 22.167 12.589 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -6.848 21.902 13.676 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.594 23.316 13.999 1.00 1.00 N ATOM 1350 CA PRO A 83 -1.406 22.590 13.546 1.00 1.00 C ATOM 1351 C PRO A 83 -0.556 22.186 14.733 1.00 1.00 C ATOM 1352 O PRO A 83 0.331 21.342 14.597 1.00 1.00 O ATOM 1353 CB PRO A 83 -0.670 23.603 12.651 1.00 1.00 C ATOM 1354 CG PRO A 83 -1.130 24.972 13.156 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.584 24.707 13.528 1.00 1.00 C ATOM 0 HA PRO A 83 -1.643 21.668 13.015 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.411 23.493 12.734 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -0.925 23.462 11.601 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.545 25.307 14.013 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.040 25.740 12.388 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.926 25.392 14.304 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.244 24.841 12.671 1.00 1.00 H new ATOM 1363 N GLY A 84 -0.814 22.788 15.908 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.221 22.417 17.184 1.00 1.00 C ATOM 1365 C GLY A 84 -0.925 21.279 17.876 1.00 1.00 C ATOM 1366 O GLY A 84 -0.534 20.896 18.970 1.00 1.00 O ATOM 0 H GLY A 84 -1.464 23.570 15.987 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.821 22.142 17.023 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -0.224 23.286 17.841 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.014 20.737 17.287 1.00 1.00 N ATOM 1371 CA GLY A 85 -2.746 19.583 17.810 1.00 1.00 C ATOM 1372 C GLY A 85 -3.456 19.784 19.127 1.00 1.00 C ATOM 1373 O GLY A 85 -3.679 18.828 19.865 1.00 1.00 O ATOM 0 H GLY A 85 -2.408 21.102 16.420 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -3.483 19.279 17.067 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -2.046 18.755 17.921 1.00 1.00 H new ATOM 1377 N HIS A 86 -3.821 21.033 19.474 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.368 21.342 20.789 1.00 1.00 C ATOM 1379 C HIS A 86 -5.595 22.236 20.755 1.00 1.00 C ATOM 1380 O HIS A 86 -6.073 22.661 21.805 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.299 21.995 21.697 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.168 21.062 22.045 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -0.868 21.096 21.672 1.00 1.00 N flip ATOM 1384 CD2 HIS A 86 -2.326 19.941 22.815 1.00 1.00 C flip ATOM 1385 CE1 HIS A 86 -0.266 20.001 22.225 1.00 1.00 C flip ATOM 1386 NE2 HIS A 86 -1.163 19.314 22.908 1.00 1.00 N flip ATOM 0 H HIS A 86 -3.743 21.839 18.854 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.679 20.380 21.196 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -2.895 22.875 21.197 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.773 22.340 22.616 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -3.250 19.620 23.273 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.777 19.739 22.120 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -0.990 18.449 23.420 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.183 22.508 19.571 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.445 23.207 19.397 1.00 1.00 C ATOM 1397 C ASP A 87 -8.625 22.640 20.197 1.00 1.00 C ATOM 1398 O ASP A 87 -9.480 23.386 20.673 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.786 23.289 17.878 1.00 1.00 C ATOM 1400 CG ASP A 87 -7.838 21.936 17.198 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -6.781 21.259 17.092 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -8.946 21.517 16.772 1.00 1.00 O ATOM 0 H ASP A 87 -5.764 22.230 18.684 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.296 24.203 19.813 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.748 23.786 17.756 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -7.041 23.909 17.379 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.679 21.307 20.401 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.752 20.611 21.092 1.00 1.00 C ATOM 1409 C ARG A 88 -10.021 21.049 22.532 1.00 1.00 C ATOM 1410 O ARG A 88 -11.153 20.961 23.003 1.00 1.00 O ATOM 1411 CB ARG A 88 -9.537 19.076 21.045 1.00 1.00 C ATOM 1412 CG ARG A 88 -8.273 18.552 21.764 1.00 1.00 C ATOM 1413 CD ARG A 88 -8.070 17.029 21.671 1.00 1.00 C ATOM 1414 NE ARG A 88 -9.130 16.356 22.496 1.00 1.00 N ATOM 1415 CZ ARG A 88 -10.187 15.684 22.018 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -10.441 15.564 20.724 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -11.040 15.124 22.872 1.00 1.00 N ATOM 0 H ARG A 88 -7.947 20.677 20.073 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.645 20.897 20.536 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -10.409 18.592 21.485 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -9.493 18.766 20.001 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -7.399 19.049 21.343 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -8.325 18.835 22.815 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -8.132 16.701 20.633 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -7.079 16.756 22.032 1.00 1.00 H new ATOM 0 HE ARG A 88 -9.037 16.416 23.510 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -9.818 15.994 20.040 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -11.259 15.042 20.411 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -10.885 15.209 23.877 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -11.848 14.610 22.522 1.00 1.00 H new ATOM 1431 N MET A 89 -9.009 21.560 23.269 1.00 1.00 N ATOM 1432 CA MET A 89 -9.149 21.885 24.684 1.00 1.00 C ATOM 1433 C MET A 89 -10.009 23.111 24.975 1.00 1.00 C ATOM 1434 O MET A 89 -10.451 23.316 26.105 1.00 1.00 O ATOM 1435 CB MET A 89 -7.776 22.101 25.366 1.00 1.00 C ATOM 1436 CG MET A 89 -6.819 20.903 25.216 1.00 1.00 C ATOM 1437 SD MET A 89 -5.449 20.901 26.414 1.00 1.00 S ATOM 1438 CE MET A 89 -4.283 21.966 25.532 1.00 1.00 C ATOM 0 H MET A 89 -8.082 21.753 22.891 1.00 1.00 H new ATOM 0 HA MET A 89 -9.657 21.012 25.095 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.304 22.988 24.942 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.933 22.300 26.426 1.00 1.00 H new ATOM 0 HG2 MET A 89 -7.388 19.980 25.327 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.407 20.904 24.207 1.00 1.00 H new ATOM 0 HE1 MET A 89 -3.715 22.557 26.250 1.00 1.00 H new ATOM 0 HE2 MET A 89 -3.599 21.351 24.947 1.00 1.00 H new ATOM 0 HE3 MET A 89 -4.831 22.633 24.866 1.00 1.00 H new ATOM 1448 N VAL A 90 -10.283 23.955 23.958 1.00 1.00 N ATOM 1449 CA VAL A 90 -11.205 25.075 24.083 1.00 1.00 C ATOM 1450 C VAL A 90 -12.629 24.584 23.843 1.00 1.00 C ATOM 1451 O VAL A 90 -13.021 24.257 22.720 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.881 26.209 23.109 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.835 27.402 23.333 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -9.419 26.662 23.308 1.00 1.00 C ATOM 0 H VAL A 90 -9.865 23.869 23.032 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.103 25.476 25.092 1.00 1.00 H new ATOM 0 HB VAL A 90 -11.012 25.846 22.090 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.591 28.200 22.632 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.864 27.080 23.172 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.725 27.769 24.353 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -9.191 27.470 22.613 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.283 27.014 24.331 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.749 25.823 23.121 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.447 24.518 24.906 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.800 24.002 24.874 1.00 1.00 C ATOM 1466 C GLN A 91 -15.811 25.132 24.919 1.00 1.00 C ATOM 1467 O GLN A 91 -15.541 26.233 25.403 1.00 1.00 O ATOM 1468 CB GLN A 91 -15.086 23.072 26.079 1.00 1.00 C ATOM 1469 CG GLN A 91 -14.178 21.825 26.152 1.00 1.00 C ATOM 1470 CD GLN A 91 -14.564 20.975 27.360 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -13.923 21.001 28.413 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -15.674 20.218 27.241 1.00 1.00 N ATOM 0 H GLN A 91 -13.164 24.835 25.833 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.893 23.441 23.944 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.971 23.644 26.999 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -16.126 22.747 26.033 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -14.275 21.239 25.238 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -13.134 22.128 26.228 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -16.193 20.208 26.363 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -15.995 19.656 28.029 1.00 1.00 H new ATOM 1481 N THR A 92 -17.029 24.865 24.424 1.00 1.00 N ATOM 1482 CA THR A 92 -18.083 25.855 24.283 1.00 1.00 C ATOM 1483 C THR A 92 -19.281 25.449 25.111 1.00 1.00 C ATOM 1484 O THR A 92 -19.741 24.305 25.091 1.00 1.00 O ATOM 1485 CB THR A 92 -18.521 26.056 22.836 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.419 26.463 22.031 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.565 27.172 22.735 1.00 1.00 C ATOM 0 H THR A 92 -17.304 23.935 24.108 1.00 1.00 H new ATOM 0 HA THR A 92 -17.673 26.802 24.635 1.00 1.00 H new ATOM 0 HB THR A 92 -18.930 25.105 22.494 1.00 1.00 H new ATOM 0 HG1 THR A 92 -17.124 27.356 22.307 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.863 27.298 21.694 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.438 26.909 23.333 1.00 1.00 H new ATOM 0 HG23 THR A 92 -19.138 28.104 23.106 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.827 26.401 25.889 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.993 26.199 26.723 1.00 1.00 C ATOM 1497 C VAL A 93 -22.123 27.058 26.166 1.00 1.00 C ATOM 1498 O VAL A 93 -22.142 28.283 26.319 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.709 26.584 28.172 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.921 26.227 29.047 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.460 25.835 28.681 1.00 1.00 C ATOM 0 H VAL A 93 -19.451 27.347 25.946 1.00 1.00 H new ATOM 0 HA VAL A 93 -21.269 25.145 26.714 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.526 27.657 28.228 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.717 26.503 30.082 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.798 26.770 28.693 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -22.110 25.155 28.988 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -19.264 26.115 29.716 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.631 24.760 28.622 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.601 26.100 28.065 1.00 1.00 H new ATOM 1511 N ARG A 94 -23.105 26.423 25.487 1.00 1.00 N ATOM 1512 CA ARG A 94 -24.228 27.069 24.822 1.00 1.00 C ATOM 1513 C ARG A 94 -25.049 27.966 25.746 1.00 1.00 C ATOM 1514 O ARG A 94 -25.555 27.542 26.788 1.00 1.00 O ATOM 1515 CB ARG A 94 -25.146 26.013 24.141 1.00 1.00 C ATOM 1516 CG ARG A 94 -26.410 26.585 23.458 1.00 1.00 C ATOM 1517 CD ARG A 94 -27.245 25.545 22.686 1.00 1.00 C ATOM 1518 NE ARG A 94 -28.575 26.155 22.349 1.00 1.00 N ATOM 1519 CZ ARG A 94 -28.769 27.142 21.465 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -27.826 27.590 20.647 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -29.953 27.746 21.406 1.00 1.00 N ATOM 0 H ARG A 94 -23.125 25.408 25.392 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.794 27.720 24.063 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.562 25.473 23.396 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.455 25.285 24.891 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -27.040 27.047 24.218 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -26.110 27.375 22.769 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.726 25.243 21.777 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.382 24.647 23.288 1.00 1.00 H new ATOM 0 HE ARG A 94 -29.396 25.789 22.832 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -26.893 27.179 20.671 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -28.034 28.346 19.994 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -30.705 27.456 22.031 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -30.109 28.499 20.735 1.00 1.00 H new ATOM 1535 N GLY A 95 -25.158 29.261 25.385 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.922 30.277 26.096 1.00 1.00 C ATOM 1537 C GLY A 95 -25.239 30.834 27.317 1.00 1.00 C ATOM 1538 O GLY A 95 -25.777 31.724 27.975 1.00 1.00 O ATOM 0 H GLY A 95 -24.693 29.631 24.556 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -26.138 31.097 25.411 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.880 29.850 26.394 1.00 1.00 H new ATOM 1542 N THR A 96 -24.024 30.359 27.649 1.00 1.00 N ATOM 1543 CA THR A 96 -23.348 30.768 28.881 1.00 1.00 C ATOM 1544 C THR A 96 -21.959 31.287 28.595 1.00 1.00 C ATOM 1545 O THR A 96 -21.581 32.354 29.073 1.00 1.00 O ATOM 1546 CB THR A 96 -23.233 29.643 29.911 1.00 1.00 C ATOM 1547 OG1 THR A 96 -24.501 29.043 30.140 1.00 1.00 O ATOM 1548 CG2 THR A 96 -22.761 30.184 31.269 1.00 1.00 C ATOM 0 H THR A 96 -23.498 29.695 27.081 1.00 1.00 H new ATOM 0 HA THR A 96 -23.974 31.556 29.301 1.00 1.00 H new ATOM 0 HB THR A 96 -22.520 28.924 29.509 1.00 1.00 H new ATOM 0 HG1 THR A 96 -24.409 28.325 30.800 1.00 1.00 H new ATOM 0 HG21 THR A 96 -22.688 29.363 31.982 1.00 1.00 H new ATOM 0 HG22 THR A 96 -21.784 30.653 31.154 1.00 1.00 H new ATOM 0 HG23 THR A 96 -23.476 30.921 31.636 1.00 1.00 H new ATOM 1556 N GLY A 97 -21.146 30.600 27.764 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.774 31.049 27.538 1.00 1.00 C ATOM 1558 C GLY A 97 -18.857 29.947 27.095 1.00 1.00 C ATOM 1559 O GLY A 97 -19.232 29.103 26.287 1.00 1.00 O ATOM 0 H GLY A 97 -21.414 29.757 27.256 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.776 31.836 26.784 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -19.386 31.488 28.457 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.614 29.929 27.606 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.582 29.012 27.151 1.00 1.00 C ATOM 1565 C TYR A 98 -15.857 28.392 28.346 1.00 1.00 C ATOM 1566 O TYR A 98 -15.943 28.880 29.473 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.543 29.726 26.238 1.00 1.00 C ATOM 1568 CG TYR A 98 -16.165 30.282 24.975 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.559 29.429 23.928 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.323 31.670 24.803 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -17.064 29.960 22.731 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.789 32.196 23.586 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.139 31.331 22.541 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.630 31.807 21.305 1.00 1.00 O ATOM 0 H TYR A 98 -17.306 30.557 28.349 1.00 1.00 H new ATOM 0 HA TYR A 98 -17.075 28.231 26.571 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -15.072 30.537 26.794 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.755 29.022 25.971 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -16.472 28.359 24.046 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -16.083 32.339 25.616 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.398 29.293 21.950 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.877 33.265 23.457 1.00 1.00 H new ATOM 0 HH TYR A 98 -17.841 32.761 21.382 1.00 1.00 H new ATOM 1584 N ARG A 99 -15.133 27.277 28.113 1.00 1.00 N ATOM 1585 CA ARG A 99 -14.462 26.479 29.130 1.00 1.00 C ATOM 1586 C ARG A 99 -13.141 25.981 28.550 1.00 1.00 C ATOM 1587 O ARG A 99 -13.017 25.772 27.347 1.00 1.00 O ATOM 1588 CB ARG A 99 -15.377 25.280 29.544 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.714 24.083 30.274 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.699 22.957 30.640 1.00 1.00 C ATOM 1591 NE ARG A 99 -14.908 21.706 30.913 1.00 1.00 N ATOM 1592 CZ ARG A 99 -14.604 21.202 32.119 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -14.980 21.776 33.255 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -13.894 20.077 32.201 1.00 1.00 N ATOM 0 H ARG A 99 -15.002 26.904 27.173 1.00 1.00 H new ATOM 0 HA ARG A 99 -14.265 27.076 30.021 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -16.167 25.668 30.187 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.857 24.898 28.643 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.927 23.673 29.641 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -14.235 24.444 31.184 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -16.284 23.235 31.517 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -16.404 22.790 29.826 1.00 1.00 H new ATOM 0 HE ARG A 99 -14.569 21.190 30.101 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -15.524 22.638 33.235 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -14.725 21.355 34.148 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -13.586 19.605 31.351 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -13.659 19.688 33.114 1.00 1.00 H new ATOM 1608 N PHE A 100 -12.101 25.789 29.389 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.818 25.249 28.966 1.00 1.00 C ATOM 1610 C PHE A 100 -10.538 23.977 29.748 1.00 1.00 C ATOM 1611 O PHE A 100 -10.766 23.940 30.954 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.695 26.294 29.187 1.00 1.00 C ATOM 1613 CG PHE A 100 -8.409 25.886 28.518 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -8.314 25.865 27.116 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -7.275 25.574 29.283 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -7.100 25.554 26.488 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -6.062 25.261 28.658 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.971 25.252 27.261 1.00 1.00 C ATOM 0 H PHE A 100 -12.142 26.010 30.384 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.848 25.015 27.902 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.016 27.260 28.798 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.524 26.422 30.256 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -9.184 26.090 26.517 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.338 25.575 30.361 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -7.035 25.547 25.410 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -5.194 25.026 29.255 1.00 1.00 H new ATOM 0 HZ PHE A 100 -5.034 25.013 26.781 1.00 1.00 H new ATOM 1628 N SER A 101 -10.068 22.888 29.103 1.00 1.00 N ATOM 1629 CA SER A 101 -9.870 21.629 29.823 1.00 1.00 C ATOM 1630 C SER A 101 -8.671 20.875 29.294 1.00 1.00 C ATOM 1631 O SER A 101 -8.583 20.575 28.108 1.00 1.00 O ATOM 1632 CB SER A 101 -11.108 20.703 29.705 1.00 1.00 C ATOM 1633 OG SER A 101 -10.978 19.485 30.447 1.00 1.00 O ATOM 0 H SER A 101 -9.827 22.861 28.112 1.00 1.00 H new ATOM 0 HA SER A 101 -9.710 21.897 30.867 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.990 21.241 30.054 1.00 1.00 H new ATOM 0 HB3 SER A 101 -11.276 20.464 28.655 1.00 1.00 H new ATOM 0 HG SER A 101 -11.788 18.946 30.335 1.00 1.00 H new ATOM 1639 N THR A 102 -7.718 20.509 30.176 1.00 1.00 N ATOM 1640 CA THR A 102 -6.533 19.724 29.833 1.00 1.00 C ATOM 1641 C THR A 102 -6.847 18.322 29.353 1.00 1.00 C ATOM 1642 O THR A 102 -6.266 17.823 28.389 1.00 1.00 O ATOM 1643 CB THR A 102 -5.540 19.615 30.982 1.00 1.00 C ATOM 1644 OG1 THR A 102 -6.187 19.402 32.234 1.00 1.00 O ATOM 1645 CG2 THR A 102 -4.782 20.944 31.074 1.00 1.00 C ATOM 0 H THR A 102 -7.759 20.760 31.164 1.00 1.00 H new ATOM 0 HA THR A 102 -6.087 20.286 29.012 1.00 1.00 H new ATOM 0 HB THR A 102 -4.883 18.768 30.785 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.514 19.336 32.943 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.061 20.896 31.890 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.257 21.129 30.137 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.488 21.753 31.260 1.00 1.00 H new