USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 648 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 70 HIS : no HD1:sc= -0.354 X(o=-0.35,f=0.086) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.1 K(o=0.077,f=-2.5!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.177 USER MOD Set 3.1: A 20 TYR OH : rot 150:sc= -0.531 USER MOD Set 3.2: A 21 MET CE :methyl -123:sc= -7.44! (180deg=-14.2!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.914 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 33 MET CE :methyl 166:sc= -2.79! (180deg=-3.08) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -15:sc= -1.26 USER MOD Single : A 55 CYS SG : rot 80:sc= -2.92! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -157:sc= -2.73! USER MOD Single : A 71 LYS NZ :NH3+ -135:sc= -1.48! (180deg=-3.67!) USER MOD Single : A 73 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.28) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= 0.0015 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.334 3.521 -14.405 1.00 0.00 N ATOM 84 CA ALA A 9 7.449 4.674 -14.290 1.00 0.00 C ATOM 85 C ALA A 9 5.987 4.243 -14.259 1.00 0.00 C ATOM 86 O ALA A 9 5.227 4.656 -13.384 1.00 0.00 O ATOM 87 CB ALA A 9 7.692 5.642 -15.439 1.00 0.00 C ATOM 0 HA ALA A 9 7.671 5.179 -13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.025 6.498 -15.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.727 5.984 -15.414 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.499 5.138 -16.386 1.00 0.00 H new ATOM 93 N ALA A 10 5.599 3.412 -15.221 1.00 0.00 N ATOM 94 CA ALA A 10 4.228 2.924 -15.303 1.00 0.00 C ATOM 95 C ALA A 10 4.030 1.693 -14.425 1.00 0.00 C ATOM 96 O ALA A 10 2.998 1.026 -14.499 1.00 0.00 O ATOM 97 CB ALA A 10 3.865 2.610 -16.746 1.00 0.00 C ATOM 0 H ALA A 10 6.215 3.063 -15.955 1.00 0.00 H new ATOM 0 HA ALA A 10 3.567 3.709 -14.937 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.838 2.247 -16.792 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.958 3.513 -17.349 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.538 1.845 -17.132 1.00 0.00 H new ATOM 103 N SER A 11 5.025 1.397 -13.595 1.00 0.00 N ATOM 104 CA SER A 11 4.962 0.243 -12.707 1.00 0.00 C ATOM 105 C SER A 11 4.561 0.665 -11.296 1.00 0.00 C ATOM 106 O SER A 11 4.561 1.852 -10.967 1.00 0.00 O ATOM 107 CB SER A 11 6.312 -0.476 -12.672 1.00 0.00 C ATOM 108 OG SER A 11 6.571 -1.132 -13.901 1.00 0.00 O ATOM 0 H SER A 11 5.885 1.941 -13.519 1.00 0.00 H new ATOM 0 HA SER A 11 4.205 -0.440 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.105 0.242 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.320 -1.202 -11.859 1.00 0.00 H new ATOM 0 HG SER A 11 7.440 -1.583 -13.854 1.00 0.00 H new ATOM 114 N LEU A 12 4.220 -0.316 -10.467 1.00 0.00 N ATOM 115 CA LEU A 12 3.817 -0.048 -9.091 1.00 0.00 C ATOM 116 C LEU A 12 4.557 -0.962 -8.119 1.00 0.00 C ATOM 117 O LEU A 12 4.994 -2.052 -8.488 1.00 0.00 O ATOM 118 CB LEU A 12 2.307 -0.235 -8.935 1.00 0.00 C ATOM 119 CG LEU A 12 1.429 0.574 -9.891 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.048 -0.052 -10.006 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.324 2.019 -9.424 1.00 0.00 C ATOM 0 H LEU A 12 4.215 -1.303 -10.724 1.00 0.00 H new ATOM 0 HA LEU A 12 4.075 0.985 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.076 -1.292 -9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.032 0.025 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 12 1.893 0.564 -10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.563 0.537 -10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.140 -1.069 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.425 -0.073 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.696 2.580 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.883 2.048 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.318 2.465 -9.394 1.00 0.00 H new ATOM 133 N TRP A 13 4.691 -0.512 -6.877 1.00 0.00 N ATOM 134 CA TRP A 13 5.375 -1.291 -5.852 1.00 0.00 C ATOM 135 C TRP A 13 4.379 -2.092 -5.020 1.00 0.00 C ATOM 136 O TRP A 13 3.329 -1.580 -4.631 1.00 0.00 O ATOM 137 CB TRP A 13 6.192 -0.370 -4.944 1.00 0.00 C ATOM 138 CG TRP A 13 6.559 -1.001 -3.634 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.735 -1.622 -3.324 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.743 -1.072 -2.460 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.699 -2.075 -2.027 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.489 -1.750 -1.475 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.457 -0.628 -2.143 1.00 0.00 C ATOM 144 CZ2 TRP A 13 5.988 -1.994 -0.199 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.961 -0.871 -0.876 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.726 -1.548 0.084 1.00 0.00 C ATOM 0 H TRP A 13 4.335 0.388 -6.555 1.00 0.00 H new ATOM 0 HA TRP A 13 6.047 -1.989 -6.350 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.103 -0.073 -5.464 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.623 0.540 -4.754 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.570 -1.740 -3.999 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.452 -2.573 -1.552 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.861 -0.104 -2.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.575 -2.517 0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.967 -0.534 -0.621 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.311 -1.721 1.066 1.00 0.00 H new ATOM 157 N MET A 14 4.715 -3.349 -4.752 1.00 0.00 N ATOM 158 CA MET A 14 3.849 -4.220 -3.965 1.00 0.00 C ATOM 159 C MET A 14 4.645 -4.949 -2.888 1.00 0.00 C ATOM 160 O MET A 14 5.334 -5.930 -3.169 1.00 0.00 O ATOM 161 CB MET A 14 3.148 -5.233 -4.872 1.00 0.00 C ATOM 162 CG MET A 14 2.000 -5.963 -4.195 1.00 0.00 C ATOM 163 SD MET A 14 1.170 -7.126 -5.295 1.00 0.00 S ATOM 164 CE MET A 14 -0.320 -7.469 -4.363 1.00 0.00 C ATOM 0 H MET A 14 5.580 -3.788 -5.068 1.00 0.00 H new ATOM 0 HA MET A 14 3.097 -3.599 -3.478 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.770 -4.717 -5.754 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.878 -5.964 -5.219 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.379 -6.499 -3.325 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.276 -5.234 -3.830 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.940 -8.176 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.054 -7.897 -3.397 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.874 -6.543 -4.209 1.00 0.00 H new ATOM 174 N GLY A 15 4.547 -4.464 -1.654 1.00 0.00 N ATOM 175 CA GLY A 15 5.264 -5.083 -0.554 1.00 0.00 C ATOM 176 C GLY A 15 4.382 -5.999 0.270 1.00 0.00 C ATOM 177 O GLY A 15 3.351 -6.475 -0.207 1.00 0.00 O ATOM 0 H GLY A 15 3.984 -3.653 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.106 -5.652 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.677 -4.306 0.089 1.00 0.00 H new ATOM 181 N ASP A 16 4.787 -6.250 1.510 1.00 0.00 N ATOM 182 CA ASP A 16 4.027 -7.116 2.403 1.00 0.00 C ATOM 183 C ASP A 16 3.640 -8.414 1.702 1.00 0.00 C ATOM 184 O ASP A 16 2.497 -8.865 1.791 1.00 0.00 O ATOM 185 CB ASP A 16 2.771 -6.397 2.900 1.00 0.00 C ATOM 186 CG ASP A 16 2.026 -7.194 3.952 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.687 -7.897 4.744 1.00 0.00 O ATOM 188 OD2 ASP A 16 0.780 -7.114 3.983 1.00 0.00 O ATOM 0 H ASP A 16 5.638 -5.865 1.920 1.00 0.00 H new ATOM 0 HA ASP A 16 4.659 -7.359 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.050 -5.428 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.108 -6.205 2.056 1.00 0.00 H new ATOM 193 N LEU A 17 4.599 -9.011 1.003 1.00 0.00 N ATOM 194 CA LEU A 17 4.360 -10.258 0.284 1.00 0.00 C ATOM 195 C LEU A 17 4.880 -11.453 1.077 1.00 0.00 C ATOM 196 O LEU A 17 5.658 -11.293 2.017 1.00 0.00 O ATOM 197 CB LEU A 17 5.028 -10.214 -1.091 1.00 0.00 C ATOM 198 CG LEU A 17 4.742 -8.973 -1.937 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.595 -8.977 -3.196 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.264 -8.898 -2.292 1.00 0.00 C ATOM 0 H LEU A 17 5.550 -8.652 0.919 1.00 0.00 H new ATOM 0 HA LEU A 17 3.284 -10.372 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.106 -10.293 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.714 -11.093 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 17 4.999 -8.091 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.378 -8.086 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.650 -8.982 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.370 -9.866 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.079 -8.008 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.980 -9.785 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.672 -8.847 -1.378 1.00 0.00 H new ATOM 212 N GLU A 18 4.447 -12.648 0.690 1.00 0.00 N ATOM 213 CA GLU A 18 4.871 -13.869 1.365 1.00 0.00 C ATOM 214 C GLU A 18 5.941 -14.595 0.554 1.00 0.00 C ATOM 215 O GLU A 18 6.084 -14.395 -0.653 1.00 0.00 O ATOM 216 CB GLU A 18 3.674 -14.794 1.594 1.00 0.00 C ATOM 217 CG GLU A 18 2.908 -14.492 2.871 1.00 0.00 C ATOM 218 CD GLU A 18 3.609 -15.015 4.110 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.744 -16.250 4.237 1.00 0.00 O ATOM 220 OE2 GLU A 18 4.023 -14.190 4.951 1.00 0.00 O ATOM 0 H GLU A 18 3.803 -12.797 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 18 5.296 -13.592 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.995 -14.713 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.024 -15.826 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.772 -13.414 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.914 -14.934 2.807 1.00 0.00 H new ATOM 227 N PRO A 19 6.711 -15.459 1.231 1.00 0.00 N ATOM 228 CA PRO A 19 7.781 -16.233 0.594 1.00 0.00 C ATOM 229 C PRO A 19 7.241 -17.303 -0.348 1.00 0.00 C ATOM 230 O PRO A 19 7.994 -17.912 -1.108 1.00 0.00 O ATOM 231 CB PRO A 19 8.504 -16.880 1.779 1.00 0.00 C ATOM 232 CG PRO A 19 7.477 -16.953 2.855 1.00 0.00 C ATOM 233 CD PRO A 19 6.597 -15.748 2.671 1.00 0.00 C ATOM 0 HA PRO A 19 8.423 -15.607 -0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.878 -17.871 1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.363 -16.286 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.898 -17.874 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.943 -16.949 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.566 -15.955 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.934 -14.908 3.278 1.00 0.00 H new ATOM 241 N TYR A 20 5.932 -17.526 -0.295 1.00 0.00 N ATOM 242 CA TYR A 20 5.292 -18.524 -1.143 1.00 0.00 C ATOM 243 C TYR A 20 4.693 -17.877 -2.388 1.00 0.00 C ATOM 244 O TYR A 20 4.343 -18.561 -3.350 1.00 0.00 O ATOM 245 CB TYR A 20 4.202 -19.262 -0.364 1.00 0.00 C ATOM 246 CG TYR A 20 3.129 -18.350 0.187 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.210 -17.737 -0.656 1.00 0.00 C ATOM 248 CD2 TYR A 20 3.033 -18.103 1.551 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.228 -16.903 -0.157 1.00 0.00 C ATOM 250 CE2 TYR A 20 2.053 -17.271 2.059 1.00 0.00 C ATOM 251 CZ TYR A 20 1.154 -16.674 1.201 1.00 0.00 C ATOM 252 OH TYR A 20 0.177 -15.845 1.702 1.00 0.00 O ATOM 0 H TYR A 20 5.294 -17.029 0.326 1.00 0.00 H new ATOM 0 HA TYR A 20 6.053 -19.239 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.738 -20.002 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.662 -19.807 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.264 -17.916 -1.720 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.736 -18.569 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.523 -16.433 -0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.992 -17.090 3.122 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.064 -16.133 2.607 1.00 0.00 H new ATOM 262 N MET A 21 4.580 -16.553 -2.363 1.00 0.00 N ATOM 263 CA MET A 21 4.025 -15.812 -3.490 1.00 0.00 C ATOM 264 C MET A 21 5.048 -15.688 -4.615 1.00 0.00 C ATOM 265 O MET A 21 6.220 -15.401 -4.372 1.00 0.00 O ATOM 266 CB MET A 21 3.573 -14.421 -3.041 1.00 0.00 C ATOM 267 CG MET A 21 2.351 -14.442 -2.137 1.00 0.00 C ATOM 268 SD MET A 21 1.731 -12.790 -1.768 1.00 0.00 S ATOM 269 CE MET A 21 0.254 -13.182 -0.835 1.00 0.00 C ATOM 0 H MET A 21 4.865 -15.971 -1.575 1.00 0.00 H new ATOM 0 HA MET A 21 3.162 -16.363 -3.865 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.394 -13.933 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.353 -13.817 -3.922 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.562 -15.024 -2.613 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.602 -14.948 -1.205 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.611 -12.725 -1.315 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.121 -14.263 -0.801 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.352 -12.797 0.180 1.00 0.00 H new ATOM 279 N ASP A 22 4.597 -15.907 -5.845 1.00 0.00 N ATOM 280 CA ASP A 22 5.473 -15.819 -7.008 1.00 0.00 C ATOM 281 C ASP A 22 4.817 -15.009 -8.122 1.00 0.00 C ATOM 282 O ASP A 22 3.617 -14.741 -8.083 1.00 0.00 O ATOM 283 CB ASP A 22 5.824 -17.218 -7.515 1.00 0.00 C ATOM 284 CG ASP A 22 5.848 -18.248 -6.403 1.00 0.00 C ATOM 285 OD1 ASP A 22 6.420 -17.953 -5.333 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.295 -19.349 -6.603 1.00 0.00 O ATOM 0 H ASP A 22 3.630 -16.147 -6.063 1.00 0.00 H new ATOM 0 HA ASP A 22 6.389 -15.311 -6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.099 -17.520 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.799 -17.191 -8.002 1.00 0.00 H new ATOM 291 N GLU A 23 5.614 -14.624 -9.114 1.00 0.00 N ATOM 292 CA GLU A 23 5.110 -13.843 -10.238 1.00 0.00 C ATOM 293 C GLU A 23 3.679 -14.245 -10.582 1.00 0.00 C ATOM 294 O GLU A 23 2.850 -13.401 -10.918 1.00 0.00 O ATOM 295 CB GLU A 23 6.011 -14.029 -11.461 1.00 0.00 C ATOM 296 CG GLU A 23 7.353 -13.327 -11.340 1.00 0.00 C ATOM 297 CD GLU A 23 8.259 -13.590 -12.528 1.00 0.00 C ATOM 298 OE1 GLU A 23 7.818 -13.356 -13.672 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.407 -14.031 -12.313 1.00 0.00 O ATOM 0 H GLU A 23 6.610 -14.840 -9.162 1.00 0.00 H new ATOM 0 HA GLU A 23 5.114 -12.792 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.180 -15.094 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.493 -13.655 -12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.190 -12.254 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.851 -13.657 -10.428 1.00 0.00 H new ATOM 306 N ASN A 24 3.398 -15.542 -10.495 1.00 0.00 N ATOM 307 CA ASN A 24 2.067 -16.057 -10.798 1.00 0.00 C ATOM 308 C ASN A 24 1.048 -15.564 -9.776 1.00 0.00 C ATOM 309 O ASN A 24 -0.009 -15.045 -10.138 1.00 0.00 O ATOM 310 CB ASN A 24 2.084 -17.587 -10.822 1.00 0.00 C ATOM 311 CG ASN A 24 2.441 -18.140 -12.188 1.00 0.00 C ATOM 312 OD1 ASN A 24 1.597 -18.210 -13.081 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.697 -18.536 -12.355 1.00 0.00 N ATOM 0 H ASN A 24 4.073 -16.254 -10.218 1.00 0.00 H new ATOM 0 HA ASN A 24 1.776 -15.688 -11.781 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.802 -17.951 -10.087 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.105 -17.963 -10.525 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.997 -18.917 -13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.363 -18.459 -11.586 1.00 0.00 H new ATOM 320 N PHE A 25 1.371 -15.729 -8.498 1.00 0.00 N ATOM 321 CA PHE A 25 0.484 -15.301 -7.423 1.00 0.00 C ATOM 322 C PHE A 25 0.149 -13.818 -7.552 1.00 0.00 C ATOM 323 O PHE A 25 -1.015 -13.445 -7.703 1.00 0.00 O ATOM 324 CB PHE A 25 1.128 -15.574 -6.062 1.00 0.00 C ATOM 325 CG PHE A 25 0.240 -15.235 -4.899 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.051 -13.915 -4.594 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.305 -16.236 -4.112 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.868 -13.599 -3.525 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.123 -15.927 -3.042 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.404 -14.607 -2.747 1.00 0.00 C ATOM 0 H PHE A 25 2.241 -16.156 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.441 -15.872 -7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.403 -16.627 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.051 -14.999 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.366 -13.123 -5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.088 -17.270 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.087 -12.566 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.542 -16.717 -2.437 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.041 -14.364 -1.910 1.00 0.00 H new ATOM 340 N ILE A 26 1.176 -12.978 -7.491 1.00 0.00 N ATOM 341 CA ILE A 26 0.991 -11.537 -7.601 1.00 0.00 C ATOM 342 C ILE A 26 0.038 -11.190 -8.740 1.00 0.00 C ATOM 343 O ILE A 26 -0.900 -10.413 -8.564 1.00 0.00 O ATOM 344 CB ILE A 26 2.331 -10.813 -7.830 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.313 -11.143 -6.704 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.112 -9.311 -7.927 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.824 -10.723 -5.335 1.00 0.00 C ATOM 0 H ILE A 26 2.145 -13.271 -7.366 1.00 0.00 H new ATOM 0 HA ILE A 26 0.562 -11.201 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 26 2.758 -11.159 -8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.502 -12.217 -6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.265 -10.653 -6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.068 -8.814 -8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.444 -9.094 -8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.666 -8.948 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.570 -10.988 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.662 -9.645 -5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.887 -11.233 -5.111 1.00 0.00 H new ATOM 359 N SER A 27 0.284 -11.774 -9.909 1.00 0.00 N ATOM 360 CA SER A 27 -0.551 -11.526 -11.078 1.00 0.00 C ATOM 361 C SER A 27 -1.998 -11.927 -10.807 1.00 0.00 C ATOM 362 O SER A 27 -2.931 -11.227 -11.201 1.00 0.00 O ATOM 363 CB SER A 27 -0.014 -12.296 -12.287 1.00 0.00 C ATOM 364 OG SER A 27 -0.960 -12.313 -13.341 1.00 0.00 O ATOM 0 H SER A 27 1.055 -12.422 -10.071 1.00 0.00 H new ATOM 0 HA SER A 27 -0.523 -10.458 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.912 -11.837 -12.633 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.227 -13.318 -11.994 1.00 0.00 H new ATOM 0 HG SER A 27 -0.593 -12.809 -14.102 1.00 0.00 H new ATOM 370 N ARG A 28 -2.175 -13.058 -10.132 1.00 0.00 N ATOM 371 CA ARG A 28 -3.508 -13.553 -9.809 1.00 0.00 C ATOM 372 C ARG A 28 -4.283 -12.530 -8.985 1.00 0.00 C ATOM 373 O ARG A 28 -5.475 -12.316 -9.205 1.00 0.00 O ATOM 374 CB ARG A 28 -3.412 -14.874 -9.043 1.00 0.00 C ATOM 375 CG ARG A 28 -3.405 -16.100 -9.942 1.00 0.00 C ATOM 376 CD ARG A 28 -3.891 -17.336 -9.201 1.00 0.00 C ATOM 377 NE ARG A 28 -5.346 -17.360 -9.072 1.00 0.00 N ATOM 378 CZ ARG A 28 -6.029 -18.421 -8.658 1.00 0.00 C ATOM 379 NH1 ARG A 28 -5.393 -19.539 -8.335 1.00 0.00 N ATOM 380 NH2 ARG A 28 -7.352 -18.366 -8.567 1.00 0.00 N ATOM 0 H ARG A 28 -1.413 -13.648 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.043 -13.721 -10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.503 -14.870 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.252 -14.945 -8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.041 -15.921 -10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.396 -16.272 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.559 -18.230 -9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.439 -17.366 -8.210 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.866 -16.516 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.376 -19.586 -8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.920 -20.352 -8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.845 -17.508 -8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.876 -19.181 -8.249 1.00 0.00 H new ATOM 394 N ALA A 29 -3.598 -11.901 -8.035 1.00 0.00 N ATOM 395 CA ALA A 29 -4.222 -10.899 -7.179 1.00 0.00 C ATOM 396 C ALA A 29 -4.870 -9.795 -8.008 1.00 0.00 C ATOM 397 O ALA A 29 -6.056 -9.503 -7.853 1.00 0.00 O ATOM 398 CB ALA A 29 -3.196 -10.310 -6.222 1.00 0.00 C ATOM 0 H ALA A 29 -2.611 -12.068 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.005 -11.389 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.675 -9.563 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.783 -11.103 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.394 -9.841 -6.792 1.00 0.00 H new ATOM 404 N PHE A 30 -4.084 -9.185 -8.889 1.00 0.00 N ATOM 405 CA PHE A 30 -4.582 -8.111 -9.742 1.00 0.00 C ATOM 406 C PHE A 30 -5.708 -8.609 -10.642 1.00 0.00 C ATOM 407 O PHE A 30 -6.762 -7.980 -10.741 1.00 0.00 O ATOM 408 CB PHE A 30 -3.446 -7.541 -10.595 1.00 0.00 C ATOM 409 CG PHE A 30 -2.532 -6.621 -9.838 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.438 -7.121 -9.151 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.767 -5.255 -9.814 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.594 -6.276 -8.454 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.926 -4.406 -9.119 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.840 -4.917 -8.437 1.00 0.00 C ATOM 0 H PHE A 30 -3.101 -9.415 -9.031 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.976 -7.323 -9.100 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.861 -8.365 -11.005 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.873 -7.001 -11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.242 -8.183 -9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.616 -4.850 -10.344 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.256 -6.678 -7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.119 -3.343 -9.110 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.184 -4.255 -7.891 1.00 0.00 H new ATOM 424 N ALA A 31 -5.478 -9.743 -11.296 1.00 0.00 N ATOM 425 CA ALA A 31 -6.473 -10.327 -12.186 1.00 0.00 C ATOM 426 C ALA A 31 -7.797 -10.547 -11.462 1.00 0.00 C ATOM 427 O ALA A 31 -8.867 -10.261 -12.000 1.00 0.00 O ATOM 428 CB ALA A 31 -5.961 -11.638 -12.763 1.00 0.00 C ATOM 0 H ALA A 31 -4.611 -10.275 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.648 -9.627 -13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.715 -12.063 -13.426 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.045 -11.455 -13.325 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.756 -12.337 -11.952 1.00 0.00 H new ATOM 434 N THR A 32 -7.718 -11.057 -10.237 1.00 0.00 N ATOM 435 CA THR A 32 -8.910 -11.317 -9.439 1.00 0.00 C ATOM 436 C THR A 32 -9.675 -10.029 -9.158 1.00 0.00 C ATOM 437 O THR A 32 -10.906 -10.012 -9.174 1.00 0.00 O ATOM 438 CB THR A 32 -8.554 -11.991 -8.101 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.881 -13.232 -8.341 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.804 -12.239 -7.270 1.00 0.00 C ATOM 0 H THR A 32 -6.841 -11.298 -9.776 1.00 0.00 H new ATOM 0 HA THR A 32 -9.539 -11.991 -10.021 1.00 0.00 H new ATOM 0 HB THR A 32 -7.895 -11.322 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.935 -13.060 -8.529 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.527 -12.716 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.298 -11.290 -7.064 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.484 -12.890 -7.820 1.00 0.00 H new ATOM 448 N MET A 33 -8.939 -8.953 -8.902 1.00 0.00 N ATOM 449 CA MET A 33 -9.551 -7.659 -8.620 1.00 0.00 C ATOM 450 C MET A 33 -10.102 -7.028 -9.894 1.00 0.00 C ATOM 451 O MET A 33 -10.657 -5.931 -9.865 1.00 0.00 O ATOM 452 CB MET A 33 -8.531 -6.720 -7.972 1.00 0.00 C ATOM 453 CG MET A 33 -8.426 -6.884 -6.464 1.00 0.00 C ATOM 454 SD MET A 33 -10.004 -6.639 -5.627 1.00 0.00 S ATOM 455 CE MET A 33 -9.559 -5.388 -4.425 1.00 0.00 C ATOM 0 H MET A 33 -7.919 -8.951 -8.884 1.00 0.00 H new ATOM 0 HA MET A 33 -10.378 -7.819 -7.929 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.552 -6.897 -8.418 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.803 -5.689 -8.199 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.049 -7.881 -6.236 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.698 -6.172 -6.075 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.464 -4.952 -4.002 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.968 -5.842 -3.629 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.974 -4.608 -4.912 1.00 0.00 H new ATOM 465 N GLY A 34 -9.945 -7.730 -11.013 1.00 0.00 N ATOM 466 CA GLY A 34 -10.432 -7.223 -12.282 1.00 0.00 C ATOM 467 C GLY A 34 -9.431 -6.313 -12.966 1.00 0.00 C ATOM 468 O GLY A 34 -9.807 -5.315 -13.579 1.00 0.00 O ATOM 0 H GLY A 34 -9.489 -8.641 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.665 -8.061 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.362 -6.678 -12.119 1.00 0.00 H new ATOM 472 N GLU A 35 -8.151 -6.659 -12.859 1.00 0.00 N ATOM 473 CA GLU A 35 -7.093 -5.864 -13.471 1.00 0.00 C ATOM 474 C GLU A 35 -6.115 -6.754 -14.233 1.00 0.00 C ATOM 475 O GLU A 35 -5.651 -7.771 -13.716 1.00 0.00 O ATOM 476 CB GLU A 35 -6.345 -5.062 -12.404 1.00 0.00 C ATOM 477 CG GLU A 35 -7.052 -3.780 -11.998 1.00 0.00 C ATOM 478 CD GLU A 35 -6.852 -2.661 -13.002 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.122 -2.875 -13.993 1.00 0.00 O ATOM 480 OE2 GLU A 35 -7.426 -1.571 -12.797 1.00 0.00 O ATOM 0 H GLU A 35 -7.823 -7.483 -12.355 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.555 -5.174 -14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.209 -5.687 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.351 -4.816 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.118 -3.977 -11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.684 -3.459 -11.024 1.00 0.00 H new ATOM 487 N THR A 36 -5.806 -6.364 -15.466 1.00 0.00 N ATOM 488 CA THR A 36 -4.886 -7.126 -16.300 1.00 0.00 C ATOM 489 C THR A 36 -3.454 -6.630 -16.134 1.00 0.00 C ATOM 490 O THR A 36 -3.064 -5.620 -16.720 1.00 0.00 O ATOM 491 CB THR A 36 -5.276 -7.044 -17.788 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.632 -7.471 -17.962 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.355 -7.906 -18.638 1.00 0.00 C ATOM 0 H THR A 36 -6.180 -5.525 -15.909 1.00 0.00 H new ATOM 0 HA THR A 36 -4.949 -8.164 -15.972 1.00 0.00 H new ATOM 0 HB THR A 36 -5.177 -6.008 -18.111 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.874 -7.415 -18.910 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.650 -7.832 -19.685 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.327 -7.561 -18.526 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.427 -8.944 -18.314 1.00 0.00 H new ATOM 501 N VAL A 37 -2.673 -7.347 -15.332 1.00 0.00 N ATOM 502 CA VAL A 37 -1.283 -6.980 -15.090 1.00 0.00 C ATOM 503 C VAL A 37 -0.413 -7.295 -16.302 1.00 0.00 C ATOM 504 O VAL A 37 -0.625 -8.295 -16.987 1.00 0.00 O ATOM 505 CB VAL A 37 -0.715 -7.711 -13.860 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.260 -9.114 -14.235 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.429 -6.916 -13.249 1.00 0.00 C ATOM 0 H VAL A 37 -2.980 -8.186 -14.839 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.267 -5.906 -14.904 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.505 -7.799 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.138 -9.615 -13.353 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.107 -9.680 -14.622 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.515 -9.053 -14.999 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.818 -7.448 -12.381 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.223 -6.795 -13.986 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.067 -5.935 -12.942 1.00 0.00 H new ATOM 517 N MET A 38 0.568 -6.436 -16.559 1.00 0.00 N ATOM 518 CA MET A 38 1.472 -6.624 -17.688 1.00 0.00 C ATOM 519 C MET A 38 2.599 -7.586 -17.327 1.00 0.00 C ATOM 520 O MET A 38 2.787 -8.611 -17.982 1.00 0.00 O ATOM 521 CB MET A 38 2.054 -5.281 -18.132 1.00 0.00 C ATOM 522 CG MET A 38 1.042 -4.375 -18.815 1.00 0.00 C ATOM 523 SD MET A 38 0.423 -5.067 -20.361 1.00 0.00 S ATOM 524 CE MET A 38 -1.344 -5.023 -20.068 1.00 0.00 C ATOM 0 H MET A 38 0.757 -5.603 -16.001 1.00 0.00 H new ATOM 0 HA MET A 38 0.901 -7.054 -18.511 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.462 -4.766 -17.262 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.885 -5.462 -18.814 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.205 -4.198 -18.140 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.502 -3.407 -19.013 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.867 -5.420 -20.938 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.583 -5.628 -19.193 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.659 -3.994 -19.894 1.00 0.00 H new ATOM 534 N SER A 39 3.347 -7.248 -16.281 1.00 0.00 N ATOM 535 CA SER A 39 4.459 -8.080 -15.836 1.00 0.00 C ATOM 536 C SER A 39 4.713 -7.893 -14.343 1.00 0.00 C ATOM 537 O SER A 39 4.247 -6.928 -13.738 1.00 0.00 O ATOM 538 CB SER A 39 5.724 -7.743 -16.627 1.00 0.00 C ATOM 539 OG SER A 39 6.561 -8.880 -16.758 1.00 0.00 O ATOM 0 H SER A 39 3.203 -6.404 -15.726 1.00 0.00 H new ATOM 0 HA SER A 39 4.195 -9.123 -16.014 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.451 -7.372 -17.615 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.268 -6.943 -16.125 1.00 0.00 H new ATOM 0 HG SER A 39 7.362 -8.639 -17.269 1.00 0.00 H new ATOM 545 N VAL A 40 5.457 -8.825 -13.755 1.00 0.00 N ATOM 546 CA VAL A 40 5.775 -8.764 -12.333 1.00 0.00 C ATOM 547 C VAL A 40 7.191 -9.263 -12.066 1.00 0.00 C ATOM 548 O VAL A 40 7.653 -10.218 -12.690 1.00 0.00 O ATOM 549 CB VAL A 40 4.783 -9.596 -11.500 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.498 -10.926 -12.180 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.320 -9.811 -10.093 1.00 0.00 C ATOM 0 H VAL A 40 5.851 -9.631 -14.241 1.00 0.00 H new ATOM 0 HA VAL A 40 5.699 -7.718 -12.035 1.00 0.00 H new ATOM 0 HB VAL A 40 3.845 -9.045 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.795 -11.500 -11.576 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.068 -10.746 -13.165 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.427 -11.487 -12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.607 -10.401 -9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.271 -10.340 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.467 -8.846 -9.608 1.00 0.00 H new ATOM 561 N LYS A 41 7.876 -8.610 -11.133 1.00 0.00 N ATOM 562 CA LYS A 41 9.239 -8.988 -10.779 1.00 0.00 C ATOM 563 C LYS A 41 9.393 -9.116 -9.267 1.00 0.00 C ATOM 564 O LYS A 41 9.037 -8.205 -8.518 1.00 0.00 O ATOM 565 CB LYS A 41 10.232 -7.955 -11.318 1.00 0.00 C ATOM 566 CG LYS A 41 11.608 -8.529 -11.608 1.00 0.00 C ATOM 567 CD LYS A 41 12.542 -7.476 -12.180 1.00 0.00 C ATOM 568 CE LYS A 41 13.967 -7.995 -12.291 1.00 0.00 C ATOM 569 NZ LYS A 41 14.670 -7.972 -10.978 1.00 0.00 N ATOM 0 H LYS A 41 7.509 -7.816 -10.608 1.00 0.00 H new ATOM 0 HA LYS A 41 9.450 -9.957 -11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.829 -7.519 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.330 -7.146 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.034 -8.935 -10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.517 -9.357 -12.311 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.188 -7.170 -13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.525 -6.590 -11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.953 -9.014 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.519 -7.389 -13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.638 -8.333 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.706 -6.996 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.158 -8.571 -10.299 1.00 0.00 H new ATOM 583 N ILE A 42 9.927 -10.249 -8.825 1.00 0.00 N ATOM 584 CA ILE A 42 10.130 -10.494 -7.402 1.00 0.00 C ATOM 585 C ILE A 42 11.575 -10.223 -6.999 1.00 0.00 C ATOM 586 O ILE A 42 12.507 -10.782 -7.579 1.00 0.00 O ATOM 587 CB ILE A 42 9.765 -11.941 -7.022 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.431 -12.338 -7.658 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.702 -12.092 -5.510 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.237 -11.647 -7.039 1.00 0.00 C ATOM 0 H ILE A 42 10.227 -11.012 -9.431 1.00 0.00 H new ATOM 0 HA ILE A 42 9.472 -9.810 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 42 10.540 -12.607 -7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.462 -12.107 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.302 -13.417 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.443 -13.120 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.672 -11.846 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.945 -11.418 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.326 -11.976 -7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.180 -11.898 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.343 -10.568 -7.151 1.00 0.00 H new ATOM 602 N ILE A 43 11.755 -9.365 -6.001 1.00 0.00 N ATOM 603 CA ILE A 43 13.087 -9.022 -5.519 1.00 0.00 C ATOM 604 C ILE A 43 13.589 -10.053 -4.513 1.00 0.00 C ATOM 605 O ILE A 43 13.066 -10.160 -3.404 1.00 0.00 O ATOM 606 CB ILE A 43 13.107 -7.629 -4.862 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.567 -6.576 -5.831 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.518 -7.274 -4.417 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.036 -6.770 -7.256 1.00 0.00 C ATOM 0 H ILE A 43 10.995 -8.894 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 43 13.745 -9.014 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 43 12.464 -7.649 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.477 -6.599 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.872 -5.587 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.516 -6.287 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.868 -8.012 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.182 -7.268 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.615 -5.988 -7.887 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.124 -6.718 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.708 -7.744 -7.618 1.00 0.00 H new ATOM 621 N ARG A 44 14.608 -10.810 -4.909 1.00 0.00 N ATOM 622 CA ARG A 44 15.182 -11.832 -4.042 1.00 0.00 C ATOM 623 C ARG A 44 16.694 -11.662 -3.928 1.00 0.00 C ATOM 624 O ARG A 44 17.363 -11.310 -4.898 1.00 0.00 O ATOM 625 CB ARG A 44 14.853 -13.227 -4.577 1.00 0.00 C ATOM 626 CG ARG A 44 13.388 -13.413 -4.936 1.00 0.00 C ATOM 627 CD ARG A 44 13.047 -14.880 -5.146 1.00 0.00 C ATOM 628 NE ARG A 44 11.738 -15.054 -5.770 1.00 0.00 N ATOM 629 CZ ARG A 44 11.495 -14.800 -7.051 1.00 0.00 C ATOM 630 NH1 ARG A 44 12.468 -14.364 -7.840 1.00 0.00 N ATOM 631 NH2 ARG A 44 10.278 -14.983 -7.546 1.00 0.00 N ATOM 0 H ARG A 44 15.052 -10.735 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 44 14.746 -11.719 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.462 -13.421 -5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.132 -13.969 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.763 -13.003 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.161 -12.852 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.811 -15.344 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.063 -15.397 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 44 10.968 -15.389 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.405 -14.223 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.279 -14.170 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.527 -15.319 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.093 -14.788 -8.530 1.00 0.00 H new ATOM 645 N ASN A 45 17.224 -11.915 -2.736 1.00 0.00 N ATOM 646 CA ASN A 45 18.657 -11.788 -2.495 1.00 0.00 C ATOM 647 C ASN A 45 19.439 -12.811 -3.314 1.00 0.00 C ATOM 648 O ASN A 45 18.888 -13.820 -3.756 1.00 0.00 O ATOM 649 CB ASN A 45 18.963 -11.970 -1.007 1.00 0.00 C ATOM 650 CG ASN A 45 20.194 -11.200 -0.572 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.730 -10.386 -1.325 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.650 -11.454 0.649 1.00 0.00 N ATOM 0 H ASN A 45 16.684 -12.209 -1.922 1.00 0.00 H new ATOM 0 HA ASN A 45 18.965 -10.789 -2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.106 -11.641 -0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.107 -13.030 -0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.476 -10.967 0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.174 -12.137 1.239 1.00 0.00 H new ATOM 659 N ARG A 46 20.725 -12.543 -3.513 1.00 0.00 N ATOM 660 CA ARG A 46 21.582 -13.439 -4.280 1.00 0.00 C ATOM 661 C ARG A 46 22.321 -14.406 -3.358 1.00 0.00 C ATOM 662 O ARG A 46 22.868 -15.413 -3.808 1.00 0.00 O ATOM 663 CB ARG A 46 22.589 -12.634 -5.104 1.00 0.00 C ATOM 664 CG ARG A 46 21.949 -11.800 -6.202 1.00 0.00 C ATOM 665 CD ARG A 46 22.973 -10.921 -6.902 1.00 0.00 C ATOM 666 NE ARG A 46 23.752 -11.667 -7.887 1.00 0.00 N ATOM 667 CZ ARG A 46 24.836 -12.373 -7.585 1.00 0.00 C ATOM 668 NH1 ARG A 46 25.267 -12.429 -6.333 1.00 0.00 N ATOM 669 NH2 ARG A 46 25.491 -13.025 -8.537 1.00 0.00 N ATOM 0 H ARG A 46 21.196 -11.713 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 46 20.950 -14.017 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 46 23.147 -11.976 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.309 -13.319 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 46 21.474 -12.458 -6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 46 21.163 -11.176 -5.776 1.00 0.00 H new ATOM 0 HD2 ARG A 46 22.464 -10.093 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.645 -10.487 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 46 23.447 -11.645 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.766 -11.929 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.100 -12.972 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 46 25.162 -12.984 -9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 46 26.323 -13.567 -8.304 1.00 0.00 H new ATOM 683 N LEU A 47 22.332 -14.092 -2.067 1.00 0.00 N ATOM 684 CA LEU A 47 23.003 -14.932 -1.082 1.00 0.00 C ATOM 685 C LEU A 47 22.018 -15.894 -0.425 1.00 0.00 C ATOM 686 O LEU A 47 22.230 -17.107 -0.416 1.00 0.00 O ATOM 687 CB LEU A 47 23.674 -14.065 -0.015 1.00 0.00 C ATOM 688 CG LEU A 47 24.969 -13.367 -0.435 1.00 0.00 C ATOM 689 CD1 LEU A 47 26.079 -14.384 -0.647 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.747 -12.545 -1.697 1.00 0.00 C ATOM 0 H LEU A 47 21.884 -13.262 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 47 23.764 -15.517 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.963 -13.304 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.886 -14.690 0.852 1.00 0.00 H new ATOM 0 HG LEU A 47 25.271 -12.692 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.992 -13.869 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.256 -14.928 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.786 -15.085 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.679 -12.056 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.420 -13.200 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.983 -11.790 -1.510 1.00 0.00 H new ATOM 702 N THR A 48 20.939 -15.345 0.123 1.00 0.00 N ATOM 703 CA THR A 48 19.920 -16.153 0.781 1.00 0.00 C ATOM 704 C THR A 48 18.881 -16.649 -0.218 1.00 0.00 C ATOM 705 O THR A 48 18.349 -17.749 -0.081 1.00 0.00 O ATOM 706 CB THR A 48 19.209 -15.363 1.895 1.00 0.00 C ATOM 707 OG1 THR A 48 18.348 -14.374 1.321 1.00 0.00 O ATOM 708 CG2 THR A 48 20.219 -14.692 2.813 1.00 0.00 C ATOM 0 H THR A 48 20.748 -14.343 0.124 1.00 0.00 H new ATOM 0 HA THR A 48 20.432 -17.008 1.223 1.00 0.00 H new ATOM 0 HB THR A 48 18.616 -16.063 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.898 -13.877 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.692 -14.140 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.854 -15.450 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.836 -14.004 2.235 1.00 0.00 H new ATOM 716 N GLY A 49 18.597 -15.828 -1.225 1.00 0.00 N ATOM 717 CA GLY A 49 17.622 -16.201 -2.233 1.00 0.00 C ATOM 718 C GLY A 49 16.200 -15.904 -1.803 1.00 0.00 C ATOM 719 O GLY A 49 15.257 -16.107 -2.569 1.00 0.00 O ATOM 0 H GLY A 49 19.025 -14.912 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.838 -15.666 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.718 -17.265 -2.450 1.00 0.00 H new ATOM 723 N ILE A 50 16.043 -15.424 -0.574 1.00 0.00 N ATOM 724 CA ILE A 50 14.725 -15.099 -0.043 1.00 0.00 C ATOM 725 C ILE A 50 14.227 -13.765 -0.588 1.00 0.00 C ATOM 726 O ILE A 50 14.974 -12.793 -0.699 1.00 0.00 O ATOM 727 CB ILE A 50 14.737 -15.040 1.496 1.00 0.00 C ATOM 728 CG1 ILE A 50 15.149 -16.395 2.076 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.370 -14.627 2.020 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.216 -16.409 3.587 1.00 0.00 C ATOM 0 H ILE A 50 16.813 -15.252 0.073 1.00 0.00 H new ATOM 0 HA ILE A 50 14.051 -15.894 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 50 15.466 -14.294 1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.440 -17.154 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.124 -16.672 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.394 -14.590 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.113 -13.643 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.623 -15.352 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.514 -17.400 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.946 -15.674 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.236 -16.163 3.997 1.00 0.00 H new ATOM 742 N PRO A 51 12.932 -13.714 -0.935 1.00 0.00 N ATOM 743 CA PRO A 51 12.303 -12.503 -1.471 1.00 0.00 C ATOM 744 C PRO A 51 12.166 -11.406 -0.420 1.00 0.00 C ATOM 745 O PRO A 51 11.501 -11.590 0.598 1.00 0.00 O ATOM 746 CB PRO A 51 10.923 -12.989 -1.920 1.00 0.00 C ATOM 747 CG PRO A 51 10.648 -14.183 -1.072 1.00 0.00 C ATOM 748 CD PRO A 51 11.982 -14.834 -0.829 1.00 0.00 C ATOM 0 HA PRO A 51 12.894 -12.057 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.166 -12.218 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.919 -13.246 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.178 -13.894 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.965 -14.869 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.026 -15.307 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.191 -15.609 -1.566 1.00 0.00 H new ATOM 756 N ALA A 52 12.800 -10.266 -0.676 1.00 0.00 N ATOM 757 CA ALA A 52 12.747 -9.140 0.247 1.00 0.00 C ATOM 758 C ALA A 52 11.351 -8.984 0.843 1.00 0.00 C ATOM 759 O ALA A 52 11.194 -8.489 1.958 1.00 0.00 O ATOM 760 CB ALA A 52 13.167 -7.859 -0.458 1.00 0.00 C ATOM 0 H ALA A 52 13.356 -10.099 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 52 13.443 -9.338 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.123 -7.026 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.186 -7.966 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.494 -7.666 -1.293 1.00 0.00 H new ATOM 766 N GLY A 53 10.341 -9.408 0.091 1.00 0.00 N ATOM 767 CA GLY A 53 8.972 -9.306 0.561 1.00 0.00 C ATOM 768 C GLY A 53 8.132 -8.380 -0.296 1.00 0.00 C ATOM 769 O GLY A 53 6.960 -8.142 -0.001 1.00 0.00 O ATOM 0 H GLY A 53 10.446 -9.821 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.519 -10.298 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.970 -8.945 1.590 1.00 0.00 H new ATOM 773 N TYR A 54 8.730 -7.856 -1.360 1.00 0.00 N ATOM 774 CA TYR A 54 8.031 -6.947 -2.260 1.00 0.00 C ATOM 775 C TYR A 54 8.318 -7.297 -3.718 1.00 0.00 C ATOM 776 O TYR A 54 9.312 -7.955 -4.025 1.00 0.00 O ATOM 777 CB TYR A 54 8.442 -5.501 -1.981 1.00 0.00 C ATOM 778 CG TYR A 54 9.830 -5.160 -2.473 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.947 -5.403 -1.683 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.025 -4.594 -3.727 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.218 -5.093 -2.128 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.292 -4.282 -4.180 1.00 0.00 C ATOM 783 CZ TYR A 54 12.385 -4.533 -3.378 1.00 0.00 C ATOM 784 OH TYR A 54 13.649 -4.222 -3.826 1.00 0.00 O ATOM 0 H TYR A 54 9.698 -8.045 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 54 6.961 -7.053 -2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.724 -4.831 -2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.391 -5.318 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.820 -5.842 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.172 -4.395 -4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.076 -5.288 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.426 -3.843 -5.158 1.00 0.00 H new ATOM 0 HH TYR A 54 14.275 -4.231 -3.072 1.00 0.00 H new ATOM 794 N CYS A 55 7.440 -6.851 -4.610 1.00 0.00 N ATOM 795 CA CYS A 55 7.598 -7.116 -6.035 1.00 0.00 C ATOM 796 C CYS A 55 7.093 -5.941 -6.866 1.00 0.00 C ATOM 797 O CYS A 55 6.206 -5.201 -6.439 1.00 0.00 O ATOM 798 CB CYS A 55 6.847 -8.391 -6.424 1.00 0.00 C ATOM 799 SG CYS A 55 5.073 -8.154 -6.678 1.00 0.00 S ATOM 0 H CYS A 55 6.612 -6.305 -4.371 1.00 0.00 H new ATOM 0 HA CYS A 55 8.660 -7.252 -6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.284 -8.792 -7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.995 -9.139 -5.645 1.00 0.00 H new ATOM 0 HG CYS A 55 4.867 -7.650 -7.858 1.00 0.00 H new ATOM 805 N PHE A 56 7.665 -5.773 -8.053 1.00 0.00 N ATOM 806 CA PHE A 56 7.275 -4.685 -8.943 1.00 0.00 C ATOM 807 C PHE A 56 6.300 -5.177 -10.008 1.00 0.00 C ATOM 808 O PHE A 56 6.432 -6.288 -10.522 1.00 0.00 O ATOM 809 CB PHE A 56 8.510 -4.075 -9.609 1.00 0.00 C ATOM 810 CG PHE A 56 9.375 -3.291 -8.664 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.922 -2.103 -8.114 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.641 -3.741 -8.327 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.715 -1.379 -7.243 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.438 -3.022 -7.457 1.00 0.00 C ATOM 815 CZ PHE A 56 10.975 -1.838 -6.916 1.00 0.00 C ATOM 0 H PHE A 56 8.400 -6.376 -8.422 1.00 0.00 H new ATOM 0 HA PHE A 56 6.778 -3.921 -8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.104 -4.873 -10.055 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.190 -3.423 -10.422 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.938 -1.738 -8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.009 -4.664 -8.749 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.349 -0.456 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.422 -3.385 -7.200 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.598 -1.273 -6.239 1.00 0.00 H new ATOM 825 N VAL A 57 5.319 -4.342 -10.335 1.00 0.00 N ATOM 826 CA VAL A 57 4.320 -4.690 -11.339 1.00 0.00 C ATOM 827 C VAL A 57 4.287 -3.659 -12.462 1.00 0.00 C ATOM 828 O VAL A 57 4.150 -2.462 -12.213 1.00 0.00 O ATOM 829 CB VAL A 57 2.915 -4.803 -10.718 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.628 -6.238 -10.303 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.780 -3.859 -9.533 1.00 0.00 C ATOM 0 H VAL A 57 5.195 -3.419 -9.919 1.00 0.00 H new ATOM 0 HA VAL A 57 4.607 -5.659 -11.748 1.00 0.00 H new ATOM 0 HB VAL A 57 2.180 -4.514 -11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.631 -6.298 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.681 -6.887 -11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.366 -6.559 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.781 -3.952 -9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.523 -4.115 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.939 -2.833 -9.865 1.00 0.00 H new ATOM 841 N GLU A 58 4.412 -4.133 -13.697 1.00 0.00 N ATOM 842 CA GLU A 58 4.396 -3.251 -14.858 1.00 0.00 C ATOM 843 C GLU A 58 2.984 -3.116 -15.420 1.00 0.00 C ATOM 844 O GLU A 58 2.141 -3.993 -15.227 1.00 0.00 O ATOM 845 CB GLU A 58 5.339 -3.780 -15.941 1.00 0.00 C ATOM 846 CG GLU A 58 5.813 -2.711 -16.911 1.00 0.00 C ATOM 847 CD GLU A 58 7.168 -3.029 -17.513 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.223 -3.851 -18.451 1.00 0.00 O ATOM 849 OE2 GLU A 58 8.174 -2.454 -17.046 1.00 0.00 O ATOM 0 H GLU A 58 4.525 -5.122 -13.920 1.00 0.00 H new ATOM 0 HA GLU A 58 4.737 -2.266 -14.538 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.206 -4.236 -15.464 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.832 -4.567 -16.500 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.081 -2.601 -17.711 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.865 -1.753 -16.393 1.00 0.00 H new ATOM 856 N PHE A 59 2.733 -2.011 -16.115 1.00 0.00 N ATOM 857 CA PHE A 59 1.423 -1.760 -16.703 1.00 0.00 C ATOM 858 C PHE A 59 1.557 -1.043 -18.044 1.00 0.00 C ATOM 859 O PHE A 59 2.665 -0.800 -18.521 1.00 0.00 O ATOM 860 CB PHE A 59 0.564 -0.925 -15.750 1.00 0.00 C ATOM 861 CG PHE A 59 0.091 -1.688 -14.546 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.077 -2.433 -14.596 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.814 -1.661 -13.364 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.515 -3.135 -13.489 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.381 -2.361 -12.254 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.784 -3.100 -12.317 1.00 0.00 C ATOM 0 H PHE A 59 3.419 -1.276 -16.284 1.00 0.00 H new ATOM 0 HA PHE A 59 0.938 -2.721 -16.871 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.138 -0.060 -15.419 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.302 -0.545 -16.292 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.651 -2.465 -15.510 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.727 -1.086 -13.310 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.428 -3.710 -13.540 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.953 -2.330 -11.338 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.123 -3.650 -11.451 1.00 0.00 H new ATOM 876 N ALA A 60 0.421 -0.709 -18.646 1.00 0.00 N ATOM 877 CA ALA A 60 0.411 -0.020 -19.930 1.00 0.00 C ATOM 878 C ALA A 60 1.060 1.355 -19.821 1.00 0.00 C ATOM 879 O ALA A 60 1.949 1.696 -20.602 1.00 0.00 O ATOM 880 CB ALA A 60 -1.014 0.107 -20.450 1.00 0.00 C ATOM 0 H ALA A 60 -0.505 -0.904 -18.265 1.00 0.00 H new ATOM 0 HA ALA A 60 0.993 -0.612 -20.636 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.006 0.624 -21.410 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.445 -0.886 -20.576 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.612 0.675 -19.737 1.00 0.00 H new ATOM 886 N ASP A 61 0.611 2.140 -18.848 1.00 0.00 N ATOM 887 CA ASP A 61 1.149 3.479 -18.636 1.00 0.00 C ATOM 888 C ASP A 61 0.872 3.957 -17.214 1.00 0.00 C ATOM 889 O ASP A 61 0.179 3.288 -16.447 1.00 0.00 O ATOM 890 CB ASP A 61 0.547 4.459 -19.643 1.00 0.00 C ATOM 891 CG ASP A 61 -0.962 4.340 -19.736 1.00 0.00 C ATOM 892 OD1 ASP A 61 -1.443 3.382 -20.377 1.00 0.00 O ATOM 893 OD2 ASP A 61 -1.661 5.204 -19.168 1.00 0.00 O ATOM 0 H ASP A 61 -0.124 1.872 -18.194 1.00 0.00 H new ATOM 0 HA ASP A 61 2.228 3.437 -18.782 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.811 5.477 -19.357 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.984 4.280 -20.625 1.00 0.00 H new ATOM 898 N LEU A 62 1.419 5.117 -16.868 1.00 0.00 N ATOM 899 CA LEU A 62 1.232 5.685 -15.538 1.00 0.00 C ATOM 900 C LEU A 62 -0.250 5.840 -15.215 1.00 0.00 C ATOM 901 O LEU A 62 -0.741 5.298 -14.225 1.00 0.00 O ATOM 902 CB LEU A 62 1.932 7.041 -15.438 1.00 0.00 C ATOM 903 CG LEU A 62 1.737 7.802 -14.126 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.535 7.151 -13.007 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.138 9.261 -14.290 1.00 0.00 C ATOM 0 H LEU A 62 1.996 5.683 -17.491 1.00 0.00 H new ATOM 0 HA LEU A 62 1.673 5.001 -14.813 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.000 6.888 -15.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.580 7.670 -16.256 1.00 0.00 H new ATOM 0 HG LEU A 62 0.680 7.764 -13.861 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.384 7.706 -12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.200 6.123 -12.872 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.594 7.157 -13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.992 9.787 -13.346 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.187 9.320 -14.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.522 9.723 -15.061 1.00 0.00 H new ATOM 917 N ALA A 63 -0.960 6.582 -16.060 1.00 0.00 N ATOM 918 CA ALA A 63 -2.387 6.805 -15.867 1.00 0.00 C ATOM 919 C ALA A 63 -3.072 5.549 -15.338 1.00 0.00 C ATOM 920 O ALA A 63 -3.733 5.580 -14.299 1.00 0.00 O ATOM 921 CB ALA A 63 -3.032 7.251 -17.171 1.00 0.00 C ATOM 0 H ALA A 63 -0.569 7.038 -16.884 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.510 7.594 -15.125 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.098 7.414 -17.013 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.569 8.179 -17.507 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.892 6.480 -17.929 1.00 0.00 H new ATOM 927 N THR A 64 -2.912 4.444 -16.060 1.00 0.00 N ATOM 928 CA THR A 64 -3.517 3.179 -15.665 1.00 0.00 C ATOM 929 C THR A 64 -3.001 2.724 -14.304 1.00 0.00 C ATOM 930 O THR A 64 -3.762 2.220 -13.479 1.00 0.00 O ATOM 931 CB THR A 64 -3.237 2.074 -16.702 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.750 2.462 -17.981 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.869 0.758 -16.274 1.00 0.00 C ATOM 0 H THR A 64 -2.368 4.400 -16.922 1.00 0.00 H new ATOM 0 HA THR A 64 -4.592 3.348 -15.606 1.00 0.00 H new ATOM 0 HB THR A 64 -2.158 1.935 -16.771 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.567 1.756 -18.635 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.658 -0.007 -17.021 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.455 0.451 -15.314 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.947 0.886 -16.180 1.00 0.00 H new ATOM 941 N ALA A 65 -1.705 2.907 -14.077 1.00 0.00 N ATOM 942 CA ALA A 65 -1.089 2.518 -12.814 1.00 0.00 C ATOM 943 C ALA A 65 -1.812 3.153 -11.632 1.00 0.00 C ATOM 944 O ALA A 65 -2.066 2.496 -10.623 1.00 0.00 O ATOM 945 CB ALA A 65 0.383 2.905 -12.804 1.00 0.00 C ATOM 0 H ALA A 65 -1.061 3.322 -14.751 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.170 1.435 -12.717 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.831 2.609 -11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.898 2.400 -13.621 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.476 3.984 -12.928 1.00 0.00 H new ATOM 951 N GLU A 66 -2.141 4.435 -11.763 1.00 0.00 N ATOM 952 CA GLU A 66 -2.834 5.158 -10.704 1.00 0.00 C ATOM 953 C GLU A 66 -4.171 4.498 -10.379 1.00 0.00 C ATOM 954 O GLU A 66 -4.360 3.954 -9.291 1.00 0.00 O ATOM 955 CB GLU A 66 -3.058 6.616 -11.113 1.00 0.00 C ATOM 956 CG GLU A 66 -1.881 7.524 -10.799 1.00 0.00 C ATOM 957 CD GLU A 66 -0.895 7.619 -11.948 1.00 0.00 C ATOM 958 OE1 GLU A 66 -0.258 6.594 -12.269 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.761 8.719 -12.525 1.00 0.00 O ATOM 0 H GLU A 66 -1.938 4.993 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.209 5.131 -9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.262 6.657 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.944 6.995 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.250 8.521 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.366 7.152 -9.913 1.00 0.00 H new ATOM 966 N LYS A 67 -5.096 4.550 -11.331 1.00 0.00 N ATOM 967 CA LYS A 67 -6.416 3.958 -11.150 1.00 0.00 C ATOM 968 C LYS A 67 -6.303 2.516 -10.664 1.00 0.00 C ATOM 969 O LYS A 67 -7.072 2.078 -9.807 1.00 0.00 O ATOM 970 CB LYS A 67 -7.204 4.005 -12.461 1.00 0.00 C ATOM 971 CG LYS A 67 -7.295 5.396 -13.065 1.00 0.00 C ATOM 972 CD LYS A 67 -7.354 5.341 -14.583 1.00 0.00 C ATOM 973 CE LYS A 67 -8.762 5.046 -15.076 1.00 0.00 C ATOM 974 NZ LYS A 67 -8.957 5.476 -16.488 1.00 0.00 N ATOM 0 H LYS A 67 -4.956 4.997 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.946 4.538 -10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.735 3.335 -13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.211 3.628 -12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.182 5.902 -12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.433 5.986 -12.754 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.014 6.291 -14.996 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.672 4.573 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.960 3.977 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.484 5.556 -14.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.929 5.258 -16.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.793 6.500 -16.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.285 4.971 -17.101 1.00 0.00 H new ATOM 988 N CYS A 68 -5.341 1.785 -11.215 1.00 0.00 N ATOM 989 CA CYS A 68 -5.127 0.392 -10.837 1.00 0.00 C ATOM 990 C CYS A 68 -4.530 0.294 -9.437 1.00 0.00 C ATOM 991 O CYS A 68 -4.606 -0.751 -8.790 1.00 0.00 O ATOM 992 CB CYS A 68 -4.208 -0.296 -11.847 1.00 0.00 C ATOM 993 SG CYS A 68 -4.238 -2.102 -11.761 1.00 0.00 S ATOM 0 H CYS A 68 -4.697 2.133 -11.925 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.094 -0.111 -10.835 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.494 0.014 -12.852 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.186 0.048 -11.686 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.135 -2.578 -12.257 1.00 0.00 H new ATOM 999 N LEU A 69 -3.935 1.389 -8.976 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.322 1.426 -7.653 1.00 0.00 C ATOM 1001 C LEU A 69 -4.302 1.964 -6.614 1.00 0.00 C ATOM 1002 O LEU A 69 -4.190 1.662 -5.426 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.061 2.292 -7.677 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.669 2.944 -6.351 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.842 1.984 -5.508 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.902 4.235 -6.597 1.00 0.00 C ATOM 0 H LEU A 69 -3.864 2.262 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.050 0.407 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.228 1.676 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.199 3.079 -8.419 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.580 3.185 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.572 2.465 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.425 1.086 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.064 1.712 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.631 4.685 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.003 4.018 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.527 4.928 -7.160 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.263 2.760 -7.071 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.265 3.338 -6.182 1.00 0.00 C ATOM 1020 C HIS A 70 -7.486 2.429 -6.078 1.00 0.00 C ATOM 1021 O HIS A 70 -8.333 2.608 -5.202 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.684 4.720 -6.682 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.649 5.779 -6.453 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.874 6.895 -5.675 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.378 5.886 -6.904 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.785 7.644 -5.659 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.863 7.053 -6.397 1.00 0.00 N ATOM 0 H HIS A 70 -5.369 3.020 -8.052 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.823 3.438 -5.191 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.902 4.661 -7.748 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.608 5.013 -6.184 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.864 5.184 -7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.669 8.580 -5.132 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.921 7.406 -6.563 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.572 1.455 -6.977 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.689 0.518 -6.986 1.00 0.00 C ATOM 1037 C LYS A 71 -8.438 -0.637 -6.022 1.00 0.00 C ATOM 1038 O LYS A 71 -9.367 -1.348 -5.636 1.00 0.00 O ATOM 1039 CB LYS A 71 -8.915 -0.024 -8.400 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.748 -0.837 -8.933 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.879 -2.306 -8.566 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.000 -2.978 -9.343 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.304 -2.881 -8.631 1.00 0.00 N ATOM 0 H LYS A 71 -6.881 1.294 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.582 1.052 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.811 -0.645 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.103 0.811 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.697 -0.735 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.815 -0.442 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.938 -2.818 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.070 -2.399 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.088 -2.516 -10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.752 -4.027 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.782 -3.804 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.140 -2.601 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.902 -2.170 -9.097 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.180 -0.817 -5.635 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.809 -1.883 -4.714 1.00 0.00 C ATOM 1059 C ILE A 72 -6.192 -1.319 -3.438 1.00 0.00 C ATOM 1060 O ILE A 72 -6.403 -1.848 -2.348 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.815 -2.866 -5.360 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -4.960 -2.146 -6.405 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.559 -4.034 -5.990 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.175 -3.085 -7.294 1.00 0.00 C ATOM 0 H ILE A 72 -6.400 -0.238 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.726 -2.417 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.156 -3.256 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.606 -1.525 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.267 -1.476 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.843 -4.720 -6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.129 -4.558 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.239 -3.662 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.592 -2.506 -8.010 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.503 -3.688 -6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.863 -3.739 -7.830 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.430 -0.240 -3.584 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.783 0.398 -2.443 1.00 0.00 C ATOM 1078 C ASN A 73 -5.761 0.562 -1.284 1.00 0.00 C ATOM 1079 O ASN A 73 -6.450 1.575 -1.178 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.220 1.762 -2.847 1.00 0.00 C ATOM 1081 CG ASN A 73 -3.895 2.632 -1.648 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -4.371 3.762 -1.539 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.081 2.107 -0.740 1.00 0.00 N ATOM 0 H ASN A 73 -5.245 0.211 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.965 -0.243 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.319 1.618 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.942 2.277 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.827 2.645 0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.710 1.166 -0.871 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.816 -0.444 -0.416 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.712 -0.393 0.724 1.00 0.00 C ATOM 1092 C GLY A 74 -7.581 -1.630 0.835 1.00 0.00 C ATOM 1093 O GLY A 74 -7.869 -2.099 1.936 1.00 0.00 O ATOM 0 H GLY A 74 -5.256 -1.294 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.127 -0.281 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.348 0.488 0.643 1.00 0.00 H new ATOM 1097 N LYS A 75 -8.002 -2.160 -0.308 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.844 -3.350 -0.336 1.00 0.00 C ATOM 1099 C LYS A 75 -8.053 -4.585 0.082 1.00 0.00 C ATOM 1100 O LYS A 75 -6.830 -4.642 -0.046 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.427 -3.554 -1.736 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.522 -2.562 -2.090 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.793 -2.830 -1.302 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.692 -3.828 -2.017 1.00 0.00 C ATOM 1105 NZ LYS A 75 -14.126 -3.632 -1.668 1.00 0.00 N ATOM 0 H LYS A 75 -7.774 -1.784 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.659 -3.205 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.625 -3.474 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.827 -4.565 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.175 -1.548 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.735 -2.620 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.536 -3.213 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.333 -1.895 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.563 -3.726 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.390 -4.842 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.705 -4.331 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.254 -3.755 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.422 -2.673 -1.941 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.766 -5.600 0.592 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.151 -6.855 1.037 1.00 0.00 C ATOM 1121 C PRO A 76 -7.620 -7.684 -0.126 1.00 0.00 C ATOM 1122 O PRO A 76 -8.345 -7.972 -1.080 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.302 -7.586 1.734 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.536 -7.036 1.106 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.228 -5.602 0.774 1.00 0.00 C ATOM 0 HA PRO A 76 -7.288 -6.681 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.231 -8.664 1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.291 -7.407 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.800 -7.596 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.384 -7.105 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.746 -5.279 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.534 -4.929 1.575 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.351 -8.068 -0.042 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.722 -8.866 -1.089 1.00 0.00 C ATOM 1135 C LEU A 77 -6.276 -10.287 -1.097 1.00 0.00 C ATOM 1136 O LEU A 77 -6.210 -11.011 -0.103 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.205 -8.899 -0.890 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.461 -10.035 -1.592 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.647 -9.945 -3.099 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -1.983 -10.007 -1.232 1.00 0.00 C ATOM 0 H LEU A 77 -5.737 -7.840 0.740 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.947 -8.403 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.792 -7.952 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.000 -8.963 0.179 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.879 -10.982 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.110 -10.762 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.708 -10.016 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.257 -8.993 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.469 -10.823 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.551 -9.056 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.869 -10.122 -0.154 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.833 -10.699 -2.245 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.407 -12.037 -2.411 1.00 0.00 C ATOM 1154 C PRO A 78 -6.341 -13.127 -2.424 1.00 0.00 C ATOM 1155 O PRO A 78 -5.180 -12.871 -2.743 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.106 -11.957 -3.771 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.379 -10.887 -4.508 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.946 -9.889 -3.470 1.00 0.00 C ATOM 0 HA PRO A 78 -8.073 -12.300 -1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.053 -12.908 -4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.162 -11.713 -3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.519 -11.295 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.023 -10.420 -5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.996 -9.422 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.675 -9.086 -3.355 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.742 -14.346 -2.076 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.809 -15.457 -2.055 1.00 0.00 C ATOM 1168 C GLY A 79 -4.954 -15.472 -0.803 1.00 0.00 C ATOM 1169 O GLY A 79 -4.783 -16.515 -0.173 1.00 0.00 O ATOM 0 H GLY A 79 -7.697 -14.584 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.362 -16.394 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.163 -15.402 -2.932 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.414 -14.312 -0.443 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.572 -14.196 0.741 1.00 0.00 C ATOM 1175 C ALA A 80 -4.046 -15.136 1.845 1.00 0.00 C ATOM 1176 O ALA A 80 -5.236 -15.428 1.958 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.558 -12.758 1.239 1.00 0.00 C ATOM 0 H ALA A 80 -4.545 -13.439 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.557 -14.483 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.925 -12.685 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.166 -12.106 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.573 -12.451 1.492 1.00 0.00 H new ATOM 1183 N THR A 81 -3.105 -15.607 2.658 1.00 0.00 N ATOM 1184 CA THR A 81 -3.426 -16.515 3.752 1.00 0.00 C ATOM 1185 C THR A 81 -2.665 -16.140 5.018 1.00 0.00 C ATOM 1186 O THR A 81 -1.440 -16.017 5.022 1.00 0.00 O ATOM 1187 CB THR A 81 -3.100 -17.975 3.384 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.035 -18.456 2.412 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.139 -18.865 4.617 1.00 0.00 C ATOM 0 H THR A 81 -2.115 -15.375 2.579 1.00 0.00 H new ATOM 0 HA THR A 81 -4.497 -16.425 3.935 1.00 0.00 H new ATOM 0 HB THR A 81 -2.094 -18.005 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.820 -19.384 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.906 -19.891 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.405 -18.514 5.343 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.134 -18.829 5.061 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.405 -15.955 6.121 1.00 0.00 N ATOM 1198 CA PRO A 82 -4.864 -16.098 6.129 1.00 0.00 C ATOM 1199 C PRO A 82 -5.560 -14.983 5.355 1.00 0.00 C ATOM 1200 O PRO A 82 -6.468 -15.237 4.564 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.221 -16.021 7.615 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.110 -15.242 8.231 1.00 0.00 C ATOM 1203 CD PRO A 82 -2.875 -15.590 7.446 1.00 0.00 C ATOM 0 HA PRO A 82 -5.185 -17.022 5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.181 -15.528 7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.299 -17.015 8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.312 -14.172 8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.989 -15.500 9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.187 -14.747 7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.328 -16.416 7.902 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.128 -13.748 5.589 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.709 -12.595 4.912 1.00 0.00 C ATOM 1213 C ALA A 83 -4.803 -11.375 5.033 1.00 0.00 C ATOM 1214 O ALA A 83 -4.296 -11.069 6.112 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.087 -12.290 5.479 1.00 0.00 C ATOM 0 H ALA A 83 -4.378 -13.520 6.242 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.809 -12.837 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.509 -11.427 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.738 -13.152 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.002 -12.072 6.544 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.602 -10.680 3.918 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.757 -9.492 3.898 1.00 0.00 C ATOM 1223 C LYS A 84 -4.411 -8.373 3.093 1.00 0.00 C ATOM 1224 O LYS A 84 -5.332 -8.614 2.313 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.386 -9.826 3.305 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.527 -10.692 4.210 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.059 -10.615 3.826 1.00 0.00 C ATOM 1228 CE LYS A 84 0.759 -11.685 4.533 1.00 0.00 C ATOM 1229 NZ LYS A 84 2.200 -11.318 4.615 1.00 0.00 N ATOM 0 H LYS A 84 -5.013 -10.920 3.016 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.629 -9.151 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.526 -10.337 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.855 -8.898 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.651 -10.373 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.865 -11.727 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.043 -10.732 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.333 -9.630 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.366 -11.838 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.655 -12.631 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.772 -12.179 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.484 -10.828 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.352 -10.690 5.430 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.928 -7.150 3.288 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.467 -5.995 2.581 1.00 0.00 C ATOM 1245 C ARG A 85 -3.590 -5.633 1.385 1.00 0.00 C ATOM 1246 O ARG A 85 -2.408 -5.974 1.343 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.577 -4.797 3.526 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.647 -3.797 3.119 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.229 -3.081 4.328 1.00 0.00 C ATOM 1250 NE ARG A 85 -7.339 -3.821 4.920 1.00 0.00 N ATOM 1251 CZ ARG A 85 -7.972 -3.439 6.024 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -7.606 -2.330 6.651 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -8.974 -4.166 6.501 1.00 0.00 N ATOM 0 H ARG A 85 -3.165 -6.934 3.929 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.461 -6.255 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.792 -5.157 4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.614 -4.289 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.221 -3.066 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.443 -4.313 2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.449 -2.939 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.571 -2.089 4.032 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.646 -4.679 4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.837 -1.768 6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.093 -2.039 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.259 -5.019 6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.459 -3.872 7.349 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.179 -4.942 0.414 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.452 -4.535 -0.783 1.00 0.00 C ATOM 1269 C PHE A 86 -2.501 -3.382 -0.477 1.00 0.00 C ATOM 1270 O PHE A 86 -2.914 -2.225 -0.395 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.432 -4.124 -1.884 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.790 -5.245 -2.817 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.818 -5.853 -3.597 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -6.098 -5.692 -2.914 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.145 -6.884 -4.457 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.431 -6.724 -3.772 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.453 -7.321 -4.544 1.00 0.00 C ATOM 0 H PHE A 86 -5.157 -4.652 0.433 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.864 -5.385 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.343 -3.740 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.997 -3.307 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.794 -5.517 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.866 -5.229 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.379 -7.348 -5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.454 -7.063 -3.839 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.710 -8.128 -5.214 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.223 -3.707 -0.307 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.211 -2.700 -0.010 1.00 0.00 C ATOM 1289 C LYS A 87 0.519 -2.272 -1.280 1.00 0.00 C ATOM 1290 O LYS A 87 1.432 -2.956 -1.744 1.00 0.00 O ATOM 1291 CB LYS A 87 0.793 -3.242 1.009 1.00 0.00 C ATOM 1292 CG LYS A 87 1.447 -2.162 1.853 1.00 0.00 C ATOM 1293 CD LYS A 87 2.122 -2.746 3.082 1.00 0.00 C ATOM 1294 CE LYS A 87 2.934 -1.696 3.825 1.00 0.00 C ATOM 1295 NZ LYS A 87 2.095 -0.922 4.782 1.00 0.00 N ATOM 0 H LYS A 87 -0.864 -4.660 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.713 -1.829 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.285 -3.947 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.568 -3.799 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.183 -1.626 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.696 -1.435 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.367 -3.163 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.773 -3.568 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.748 -2.181 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.390 -1.014 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.684 -0.217 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.334 -0.439 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.681 -1.569 5.483 1.00 0.00 H new ATOM 1309 N LEU A 88 0.112 -1.136 -1.835 1.00 0.00 N ATOM 1310 CA LEU A 88 0.728 -0.615 -3.050 1.00 0.00 C ATOM 1311 C LEU A 88 1.164 0.835 -2.862 1.00 0.00 C ATOM 1312 O LEU A 88 0.574 1.573 -2.075 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.246 -0.718 -4.225 1.00 0.00 C ATOM 1314 CG LEU A 88 -0.973 -2.054 -4.379 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -1.940 -2.004 -5.552 1.00 0.00 C ATOM 1316 CD2 LEU A 88 0.027 -3.188 -4.557 1.00 0.00 C ATOM 0 H LEU A 88 -0.642 -0.558 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 88 1.612 -1.216 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.993 0.069 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.303 -0.518 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.546 -2.241 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.448 -2.964 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.677 -1.218 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.389 -1.794 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.508 -4.131 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.627 -3.007 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.679 -3.239 -3.685 1.00 0.00 H new ATOM 1328 N ASN A 89 2.200 1.236 -3.592 1.00 0.00 N ATOM 1329 CA ASN A 89 2.713 2.598 -3.506 1.00 0.00 C ATOM 1330 C ASN A 89 3.362 3.019 -4.821 1.00 0.00 C ATOM 1331 O ASN A 89 3.558 2.199 -5.719 1.00 0.00 O ATOM 1332 CB ASN A 89 3.727 2.712 -2.366 1.00 0.00 C ATOM 1333 CG ASN A 89 3.073 3.067 -1.044 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.511 2.207 -0.367 1.00 0.00 O ATOM 1335 ND2 ASN A 89 3.144 4.340 -0.672 1.00 0.00 N ATOM 0 H ASN A 89 2.700 0.637 -4.249 1.00 0.00 H new ATOM 0 HA ASN A 89 1.873 3.264 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.261 1.767 -2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.468 3.471 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.722 4.639 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.620 5.019 -1.266 1.00 0.00 H new ATOM 1342 N TYR A 90 3.692 4.301 -4.928 1.00 0.00 N ATOM 1343 CA TYR A 90 4.316 4.832 -6.134 1.00 0.00 C ATOM 1344 C TYR A 90 5.747 4.321 -6.277 1.00 0.00 C ATOM 1345 O TYR A 90 6.555 4.443 -5.357 1.00 0.00 O ATOM 1346 CB TYR A 90 4.309 6.361 -6.107 1.00 0.00 C ATOM 1347 CG TYR A 90 3.004 6.968 -6.571 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.377 6.517 -7.727 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.399 7.994 -5.856 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.186 7.069 -8.155 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.207 8.551 -6.276 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.604 8.086 -7.426 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.583 8.639 -7.849 1.00 0.00 O ATOM 0 H TYR A 90 3.538 4.992 -4.194 1.00 0.00 H new ATOM 0 HA TYR A 90 3.739 4.488 -6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.517 6.699 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.117 6.731 -6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.829 5.721 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.869 8.362 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.712 6.707 -9.056 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.749 9.347 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.858 9.342 -7.224 1.00 0.00 H new ATOM 1363 N ALA A 91 6.052 3.750 -7.437 1.00 0.00 N ATOM 1364 CA ALA A 91 7.385 3.224 -7.703 1.00 0.00 C ATOM 1365 C ALA A 91 8.462 4.191 -7.224 1.00 0.00 C ATOM 1366 O ALA A 91 9.601 3.794 -6.975 1.00 0.00 O ATOM 1367 CB ALA A 91 7.552 2.936 -9.188 1.00 0.00 C ATOM 0 H ALA A 91 5.394 3.640 -8.208 1.00 0.00 H new ATOM 0 HA ALA A 91 7.499 2.292 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.552 2.544 -9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.810 2.201 -9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.413 3.857 -9.755 1.00 0.00 H new