USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 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 37 CYS SG : rot -179:sc= -0.192 USER MOD Set 1.2: A 40 CYS SG : rot 91:sc= -0.328 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.886 USER MOD Set 2.2: A 41 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -167:sc= 1.44 (180deg=0.465) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0.686 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.868 USER MOD Set 4.2: A 16 SER OG : rot -77:sc= 1.48 USER MOD Single : A 9 THR OG1 : rot -26:sc= 0.0383 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0.747 (180deg=0.604) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00264 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 76:sc= 0.932 USER MOD Single : A 25 ASN : amide:sc= 0.00583 K(o=0.0058,f=-2) USER MOD Single : A 42 MET CE :methyl -174:sc= 0 (180deg=-0.0367) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.866 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 1.86 (180deg=1.49) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.31) USER MOD Single : A 71 THR OG1 : rot -43:sc= 0.254 USER MOD Single : A 74 ASN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 144:sc= 0.841 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 3.5 (180deg=3.28) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0.971 (180deg=0.971) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 1.36 (180deg=1.09) USER MOD Single : A 109 SER OG : rot 40:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.394 -0.970 9.899 1.00 0.00 N ATOM 115 CA THR A 9 2.254 -0.852 8.968 1.00 0.00 C ATOM 116 C THR A 9 0.911 -0.709 9.695 1.00 0.00 C ATOM 117 O THR A 9 0.753 -1.137 10.843 1.00 0.00 O ATOM 118 CB THR A 9 2.147 -2.042 7.992 1.00 0.00 C ATOM 119 OG1 THR A 9 2.061 -3.270 8.685 1.00 0.00 O ATOM 120 CG2 THR A 9 3.327 -2.130 7.030 1.00 0.00 C ATOM 0 HA THR A 9 2.461 0.056 8.402 1.00 0.00 H new ATOM 0 HB THR A 9 1.237 -1.861 7.419 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.484 -3.180 9.564 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.195 -2.987 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.381 -1.218 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.250 -2.249 7.597 1.00 0.00 H new ATOM 128 N ILE A 10 -0.081 -0.138 9.002 1.00 0.00 N ATOM 129 CA ILE A 10 -1.503 -0.164 9.391 1.00 0.00 C ATOM 130 C ILE A 10 -2.316 -1.089 8.471 1.00 0.00 C ATOM 131 O ILE A 10 -1.947 -1.321 7.317 1.00 0.00 O ATOM 132 CB ILE A 10 -2.106 1.259 9.496 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.162 1.989 8.136 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.341 2.077 10.554 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.909 3.328 8.178 1.00 0.00 C ATOM 0 H ILE A 10 0.083 0.369 8.132 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.561 -0.586 10.394 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.143 1.155 9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.144 2.163 7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.643 1.339 7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.771 3.076 10.622 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.418 1.582 11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.292 2.152 10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.905 3.778 7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.938 3.161 8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.416 3.998 8.883 1.00 0.00 H new ATOM 147 N LYS A 11 -3.441 -1.611 8.967 1.00 0.00 N ATOM 148 CA LYS A 11 -4.373 -2.462 8.207 1.00 0.00 C ATOM 149 C LYS A 11 -5.693 -1.719 7.990 1.00 0.00 C ATOM 150 O LYS A 11 -6.269 -1.207 8.952 1.00 0.00 O ATOM 151 CB LYS A 11 -4.545 -3.793 8.957 1.00 0.00 C ATOM 152 CG LYS A 11 -5.150 -4.901 8.083 1.00 0.00 C ATOM 153 CD LYS A 11 -5.295 -6.189 8.911 1.00 0.00 C ATOM 154 CE LYS A 11 -5.712 -7.402 8.071 1.00 0.00 C ATOM 155 NZ LYS A 11 -4.619 -7.857 7.174 1.00 0.00 N ATOM 0 H LYS A 11 -3.740 -1.453 9.929 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.980 -2.689 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.575 -4.121 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.184 -3.634 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.123 -4.589 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.514 -5.083 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.347 -6.405 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.034 -6.027 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.003 -8.219 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.588 -7.147 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.897 -8.746 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.439 -7.132 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.755 -8.012 7.731 1.00 0.00 H new ATOM 169 N VAL A 12 -6.159 -1.646 6.743 1.00 0.00 N ATOM 170 CA VAL A 12 -7.385 -0.925 6.349 1.00 0.00 C ATOM 171 C VAL A 12 -8.360 -1.838 5.600 1.00 0.00 C ATOM 172 O VAL A 12 -7.965 -2.827 4.981 1.00 0.00 O ATOM 173 CB VAL A 12 -7.083 0.373 5.564 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.285 1.363 6.422 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.316 0.139 4.256 1.00 0.00 C ATOM 0 H VAL A 12 -5.689 -2.094 5.956 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.877 -0.615 7.271 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.060 0.783 5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.087 2.266 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.860 1.619 7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.340 0.908 6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.141 1.094 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.360 -0.337 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.901 -0.507 3.601 1.00 0.00 H new ATOM 185 N THR A 13 -9.647 -1.513 5.692 1.00 0.00 N ATOM 186 CA THR A 13 -10.783 -2.271 5.139 1.00 0.00 C ATOM 187 C THR A 13 -11.737 -1.348 4.378 1.00 0.00 C ATOM 188 O THR A 13 -11.655 -0.127 4.509 1.00 0.00 O ATOM 189 CB THR A 13 -11.565 -2.996 6.250 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.200 -2.057 7.098 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.689 -3.895 7.124 1.00 0.00 C ATOM 0 H THR A 13 -9.949 -0.669 6.179 1.00 0.00 H new ATOM 0 HA THR A 13 -10.371 -3.011 4.453 1.00 0.00 H new ATOM 0 HB THR A 13 -12.291 -3.624 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.695 -2.531 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.305 -4.374 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.219 -4.658 6.504 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.918 -3.294 7.606 1.00 0.00 H new ATOM 199 N ASP A 14 -12.704 -1.895 3.637 1.00 0.00 N ATOM 200 CA ASP A 14 -13.710 -1.089 2.923 1.00 0.00 C ATOM 201 C ASP A 14 -14.535 -0.174 3.861 1.00 0.00 C ATOM 202 O ASP A 14 -14.992 0.894 3.453 1.00 0.00 O ATOM 203 CB ASP A 14 -14.625 -2.017 2.110 1.00 0.00 C ATOM 204 CG ASP A 14 -15.465 -1.218 1.100 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.875 -0.665 0.141 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.708 -1.162 1.256 1.00 0.00 O ATOM 0 H ASP A 14 -12.816 -2.901 3.512 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.176 -0.418 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.022 -2.756 1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.284 -2.565 2.784 1.00 0.00 H new ATOM 211 N ALA A 15 -14.681 -0.567 5.134 1.00 0.00 N ATOM 212 CA ALA A 15 -15.363 0.198 6.181 1.00 0.00 C ATOM 213 C ALA A 15 -14.480 1.264 6.877 1.00 0.00 C ATOM 214 O ALA A 15 -15.015 2.114 7.593 1.00 0.00 O ATOM 215 CB ALA A 15 -15.933 -0.807 7.190 1.00 0.00 C ATOM 0 H ALA A 15 -14.314 -1.457 5.472 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.155 0.782 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.449 -0.270 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.635 -1.471 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.120 -1.395 7.617 1.00 0.00 H new ATOM 221 N SER A 16 -13.151 1.232 6.695 1.00 0.00 N ATOM 222 CA SER A 16 -12.178 2.094 7.403 1.00 0.00 C ATOM 223 C SER A 16 -11.202 2.866 6.499 1.00 0.00 C ATOM 224 O SER A 16 -10.491 3.749 6.980 1.00 0.00 O ATOM 225 CB SER A 16 -11.399 1.269 8.434 1.00 0.00 C ATOM 226 OG SER A 16 -10.689 0.211 7.814 1.00 0.00 O ATOM 0 H SER A 16 -12.707 0.592 6.036 1.00 0.00 H new ATOM 0 HA SER A 16 -12.780 2.861 7.891 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.702 1.914 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.088 0.863 9.174 1.00 0.00 H new ATOM 0 HG SER A 16 -11.309 -0.516 7.596 1.00 0.00 H new ATOM 232 N PHE A 17 -11.185 2.599 5.188 1.00 0.00 N ATOM 233 CA PHE A 17 -10.266 3.209 4.219 1.00 0.00 C ATOM 234 C PHE A 17 -10.335 4.743 4.225 1.00 0.00 C ATOM 235 O PHE A 17 -9.305 5.419 4.213 1.00 0.00 O ATOM 236 CB PHE A 17 -10.597 2.658 2.822 1.00 0.00 C ATOM 237 CG PHE A 17 -9.505 2.856 1.793 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.391 4.068 1.086 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.615 1.801 1.521 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.382 4.225 0.118 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.636 1.944 0.527 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.512 3.159 -0.168 1.00 0.00 C ATOM 0 H PHE A 17 -11.828 1.934 4.759 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.245 2.950 4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.810 1.592 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.508 3.137 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.078 4.877 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.686 0.879 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.276 5.164 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.977 1.120 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.748 3.274 -0.922 1.00 0.00 H new ATOM 252 N ALA A 18 -11.544 5.305 4.309 1.00 0.00 N ATOM 253 CA ALA A 18 -11.742 6.751 4.362 1.00 0.00 C ATOM 254 C ALA A 18 -11.219 7.386 5.668 1.00 0.00 C ATOM 255 O ALA A 18 -10.715 8.509 5.656 1.00 0.00 O ATOM 256 CB ALA A 18 -13.230 7.045 4.137 1.00 0.00 C ATOM 0 H ALA A 18 -12.411 4.768 4.342 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.151 7.212 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.398 8.121 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.533 6.663 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.819 6.560 4.916 1.00 0.00 H new ATOM 262 N THR A 19 -11.298 6.657 6.782 1.00 0.00 N ATOM 263 CA THR A 19 -10.887 7.094 8.130 1.00 0.00 C ATOM 264 C THR A 19 -9.372 7.021 8.362 1.00 0.00 C ATOM 265 O THR A 19 -8.869 7.632 9.305 1.00 0.00 O ATOM 266 CB THR A 19 -11.601 6.249 9.209 1.00 0.00 C ATOM 267 OG1 THR A 19 -12.900 5.863 8.792 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.784 7.003 10.529 1.00 0.00 C ATOM 0 H THR A 19 -11.665 5.705 6.776 1.00 0.00 H new ATOM 0 HA THR A 19 -11.177 8.142 8.206 1.00 0.00 H new ATOM 0 HB THR A 19 -10.954 5.384 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.324 5.329 9.496 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.291 6.360 11.248 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.809 7.289 10.923 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.383 7.897 10.357 1.00 0.00 H new ATOM 276 N ASP A 20 -8.625 6.316 7.504 1.00 0.00 N ATOM 277 CA ASP A 20 -7.166 6.161 7.614 1.00 0.00 C ATOM 278 C ASP A 20 -6.407 6.692 6.387 1.00 0.00 C ATOM 279 O ASP A 20 -5.545 7.562 6.523 1.00 0.00 O ATOM 280 CB ASP A 20 -6.826 4.691 7.897 1.00 0.00 C ATOM 281 CG ASP A 20 -7.058 4.334 9.375 1.00 0.00 C ATOM 282 OD1 ASP A 20 -6.217 4.717 10.224 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.068 3.666 9.700 1.00 0.00 O ATOM 0 H ASP A 20 -9.022 5.829 6.700 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.831 6.776 8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.438 4.047 7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.786 4.500 7.634 1.00 0.00 H new ATOM 288 N VAL A 21 -6.747 6.226 5.181 1.00 0.00 N ATOM 289 CA VAL A 21 -6.032 6.580 3.941 1.00 0.00 C ATOM 290 C VAL A 21 -6.457 7.959 3.442 1.00 0.00 C ATOM 291 O VAL A 21 -5.619 8.835 3.234 1.00 0.00 O ATOM 292 CB VAL A 21 -6.254 5.523 2.839 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.362 5.803 1.626 1.00 0.00 C ATOM 294 CG2 VAL A 21 -5.958 4.101 3.335 1.00 0.00 C ATOM 0 H VAL A 21 -7.530 5.589 5.032 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.968 6.606 4.176 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.305 5.590 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.537 5.044 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.598 6.787 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.316 5.777 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.128 3.391 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.920 4.038 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.616 3.863 4.171 1.00 0.00 H new ATOM 304 N LEU A 22 -7.768 8.188 3.302 1.00 0.00 N ATOM 305 CA LEU A 22 -8.302 9.479 2.843 1.00 0.00 C ATOM 306 C LEU A 22 -8.280 10.554 3.951 1.00 0.00 C ATOM 307 O LEU A 22 -8.370 11.748 3.662 1.00 0.00 O ATOM 308 CB LEU A 22 -9.694 9.304 2.207 1.00 0.00 C ATOM 309 CG LEU A 22 -9.813 8.150 1.188 1.00 0.00 C ATOM 310 CD1 LEU A 22 -11.239 8.085 0.640 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.865 8.273 -0.002 1.00 0.00 C ATOM 0 H LEU A 22 -8.485 7.491 3.502 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.637 9.852 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.421 9.141 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.968 10.235 1.711 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.544 7.248 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.316 7.269 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.936 7.914 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.483 9.026 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.010 7.425 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.073 9.199 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.835 8.283 0.353 1.00 0.00 H new ATOM 323 N SER A 23 -8.114 10.134 5.210 1.00 0.00 N ATOM 324 CA SER A 23 -7.963 11.003 6.384 1.00 0.00 C ATOM 325 C SER A 23 -6.561 11.637 6.485 1.00 0.00 C ATOM 326 O SER A 23 -6.411 12.742 7.014 1.00 0.00 O ATOM 327 CB SER A 23 -8.258 10.180 7.641 1.00 0.00 C ATOM 328 OG SER A 23 -8.326 10.997 8.797 1.00 0.00 O ATOM 0 H SER A 23 -8.080 9.143 5.449 1.00 0.00 H new ATOM 0 HA SER A 23 -8.668 11.828 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.201 9.648 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.482 9.426 7.773 1.00 0.00 H new ATOM 0 HG SER A 23 -8.517 10.440 9.580 1.00 0.00 H new ATOM 334 N SER A 24 -5.524 10.966 5.965 1.00 0.00 N ATOM 335 CA SER A 24 -4.126 11.379 6.071 1.00 0.00 C ATOM 336 C SER A 24 -3.827 12.646 5.259 1.00 0.00 C ATOM 337 O SER A 24 -3.934 12.655 4.031 1.00 0.00 O ATOM 338 CB SER A 24 -3.230 10.232 5.593 1.00 0.00 C ATOM 339 OG SER A 24 -3.201 9.176 6.539 1.00 0.00 O ATOM 0 H SER A 24 -5.643 10.097 5.445 1.00 0.00 H new ATOM 0 HA SER A 24 -3.924 11.614 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.594 9.857 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.219 10.602 5.426 1.00 0.00 H new ATOM 0 HG SER A 24 -4.034 8.663 6.482 1.00 0.00 H new ATOM 345 N ASN A 25 -3.385 13.705 5.946 1.00 0.00 N ATOM 346 CA ASN A 25 -2.852 14.929 5.331 1.00 0.00 C ATOM 347 C ASN A 25 -1.404 14.763 4.815 1.00 0.00 C ATOM 348 O ASN A 25 -0.965 15.507 3.936 1.00 0.00 O ATOM 349 CB ASN A 25 -2.995 16.106 6.319 1.00 0.00 C ATOM 350 CG ASN A 25 -2.157 16.006 7.590 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.635 14.965 7.963 1.00 0.00 O ATOM 352 ND2 ASN A 25 -2.018 17.092 8.314 1.00 0.00 N ATOM 0 H ASN A 25 -3.387 13.737 6.965 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.443 15.147 4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.727 17.027 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.044 16.193 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.478 17.063 9.179 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.450 17.965 8.011 1.00 0.00 H new ATOM 359 N LYS A 26 -0.682 13.756 5.326 1.00 0.00 N ATOM 360 CA LYS A 26 0.658 13.325 4.888 1.00 0.00 C ATOM 361 C LYS A 26 0.571 12.305 3.737 1.00 0.00 C ATOM 362 O LYS A 26 -0.507 11.745 3.513 1.00 0.00 O ATOM 363 CB LYS A 26 1.437 12.770 6.103 1.00 0.00 C ATOM 364 CG LYS A 26 0.815 11.489 6.695 1.00 0.00 C ATOM 365 CD LYS A 26 1.601 10.913 7.881 1.00 0.00 C ATOM 366 CE LYS A 26 2.977 10.363 7.476 1.00 0.00 C ATOM 367 NZ LYS A 26 3.500 9.426 8.505 1.00 0.00 N ATOM 0 H LYS A 26 -1.034 13.188 6.097 1.00 0.00 H new ATOM 0 HA LYS A 26 1.202 14.183 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.464 12.561 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.481 13.535 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.204 11.705 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.749 10.733 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.733 11.690 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.019 10.116 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.900 9.850 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.677 11.188 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.507 9.240 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.389 9.849 9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.970 8.532 8.462 1.00 0.00 H new ATOM 381 N PRO A 27 1.674 12.010 3.023 1.00 0.00 N ATOM 382 CA PRO A 27 1.709 10.905 2.068 1.00 0.00 C ATOM 383 C PRO A 27 1.386 9.561 2.740 1.00 0.00 C ATOM 384 O PRO A 27 1.881 9.264 3.831 1.00 0.00 O ATOM 385 CB PRO A 27 3.115 10.921 1.455 1.00 0.00 C ATOM 386 CG PRO A 27 3.575 12.364 1.654 1.00 0.00 C ATOM 387 CD PRO A 27 2.935 12.738 2.990 1.00 0.00 C ATOM 0 HA PRO A 27 0.948 11.025 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.779 10.216 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.096 10.648 0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.662 12.442 1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.235 13.013 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.575 12.456 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.772 13.813 3.062 1.00 0.00 H new ATOM 395 N VAL A 28 0.571 8.731 2.087 1.00 0.00 N ATOM 396 CA VAL A 28 0.220 7.383 2.558 1.00 0.00 C ATOM 397 C VAL A 28 0.219 6.383 1.404 1.00 0.00 C ATOM 398 O VAL A 28 -0.356 6.622 0.344 1.00 0.00 O ATOM 399 CB VAL A 28 -1.078 7.376 3.393 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.302 7.900 2.643 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.416 5.981 3.937 1.00 0.00 C ATOM 0 H VAL A 28 0.127 8.977 1.202 1.00 0.00 H new ATOM 0 HA VAL A 28 0.997 7.052 3.247 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.859 8.057 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.173 7.863 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.125 8.930 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.482 7.282 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.337 6.030 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.547 5.288 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.604 5.633 4.575 1.00 0.00 H new ATOM 411 N LEU A 29 0.901 5.262 1.611 1.00 0.00 N ATOM 412 CA LEU A 29 1.148 4.209 0.637 1.00 0.00 C ATOM 413 C LEU A 29 0.261 3.005 0.981 1.00 0.00 C ATOM 414 O LEU A 29 0.466 2.374 2.016 1.00 0.00 O ATOM 415 CB LEU A 29 2.654 3.879 0.708 1.00 0.00 C ATOM 416 CG LEU A 29 3.255 3.184 -0.523 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.632 2.642 -0.142 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.447 2.000 -1.060 1.00 0.00 C ATOM 0 H LEU A 29 1.320 5.053 2.517 1.00 0.00 H new ATOM 0 HA LEU A 29 0.901 4.507 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.200 4.807 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.825 3.244 1.577 1.00 0.00 H new ATOM 0 HG LEU A 29 3.275 3.941 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.078 2.144 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.273 3.466 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.529 1.930 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.953 1.578 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.359 1.238 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.453 2.340 -1.350 1.00 0.00 H new ATOM 430 N VAL A 30 -0.705 2.669 0.128 1.00 0.00 N ATOM 431 CA VAL A 30 -1.534 1.463 0.273 1.00 0.00 C ATOM 432 C VAL A 30 -1.025 0.365 -0.651 1.00 0.00 C ATOM 433 O VAL A 30 -0.994 0.533 -1.870 1.00 0.00 O ATOM 434 CB VAL A 30 -3.024 1.722 0.000 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.847 0.467 0.332 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.579 2.875 0.842 1.00 0.00 C ATOM 0 H VAL A 30 -0.940 3.228 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.450 1.148 1.313 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.104 1.982 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.901 0.661 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.509 -0.364 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.715 0.213 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.635 3.018 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.467 2.640 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.031 3.789 0.613 1.00 0.00 H new ATOM 446 N ASP A 31 -0.686 -0.783 -0.073 1.00 0.00 N ATOM 447 CA ASP A 31 -0.452 -2.033 -0.788 1.00 0.00 C ATOM 448 C ASP A 31 -1.722 -2.903 -0.772 1.00 0.00 C ATOM 449 O ASP A 31 -2.133 -3.437 0.263 1.00 0.00 O ATOM 450 CB ASP A 31 0.779 -2.718 -0.185 1.00 0.00 C ATOM 451 CG ASP A 31 0.951 -4.162 -0.669 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.918 -4.393 -1.898 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.137 -5.049 0.198 1.00 0.00 O ATOM 0 H ASP A 31 -0.563 -0.872 0.936 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.238 -1.850 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.670 -2.145 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.697 -2.711 0.902 1.00 0.00 H new ATOM 458 N PHE A 32 -2.353 -3.032 -1.937 1.00 0.00 N ATOM 459 CA PHE A 32 -3.447 -3.961 -2.199 1.00 0.00 C ATOM 460 C PHE A 32 -2.838 -5.339 -2.483 1.00 0.00 C ATOM 461 O PHE A 32 -2.082 -5.502 -3.445 1.00 0.00 O ATOM 462 CB PHE A 32 -4.300 -3.451 -3.370 1.00 0.00 C ATOM 463 CG PHE A 32 -5.025 -2.141 -3.105 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.348 -0.907 -3.199 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.397 -2.152 -2.786 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.031 0.299 -2.964 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.079 -0.945 -2.553 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.397 0.281 -2.636 1.00 0.00 C ATOM 0 H PHE A 32 -2.107 -2.472 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.110 -4.039 -1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.658 -3.325 -4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.037 -4.213 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.298 -0.889 -3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.927 -3.091 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.505 1.240 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.131 -0.960 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.921 1.206 -2.448 1.00 0.00 H new ATOM 478 N TRP A 33 -3.126 -6.314 -1.619 1.00 0.00 N ATOM 479 CA TRP A 33 -2.429 -7.606 -1.578 1.00 0.00 C ATOM 480 C TRP A 33 -3.342 -8.753 -1.121 1.00 0.00 C ATOM 481 O TRP A 33 -4.433 -8.520 -0.596 1.00 0.00 O ATOM 482 CB TRP A 33 -1.223 -7.488 -0.626 1.00 0.00 C ATOM 483 CG TRP A 33 -1.532 -7.697 0.829 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.362 -6.928 1.570 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.110 -8.784 1.715 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.543 -7.499 2.812 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.789 -8.640 2.961 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.217 -9.872 1.599 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.620 -9.543 4.020 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.027 -10.777 2.661 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.732 -10.621 3.867 1.00 0.00 C ATOM 0 H TRP A 33 -3.861 -6.229 -0.916 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.102 -7.845 -2.590 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.469 -8.215 -0.929 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.780 -6.500 -0.748 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.815 -6.005 1.239 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.160 -7.122 3.532 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.330 -10.013 0.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.166 -9.412 4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.666 -11.598 2.548 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.592 -11.327 4.672 1.00 0.00 H new ATOM 502 N ALA A 34 -2.865 -9.993 -1.244 1.00 0.00 N ATOM 503 CA ALA A 34 -3.413 -11.137 -0.516 1.00 0.00 C ATOM 504 C ALA A 34 -2.321 -12.136 -0.107 1.00 0.00 C ATOM 505 O ALA A 34 -1.339 -12.338 -0.825 1.00 0.00 O ATOM 506 CB ALA A 34 -4.485 -11.824 -1.365 1.00 0.00 C ATOM 0 H ALA A 34 -2.084 -10.232 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.864 -10.766 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.891 -12.676 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.286 -11.117 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.043 -12.169 -2.300 1.00 0.00 H new ATOM 512 N THR A 35 -2.533 -12.820 1.022 1.00 0.00 N ATOM 513 CA THR A 35 -1.610 -13.840 1.555 1.00 0.00 C ATOM 514 C THR A 35 -1.460 -15.064 0.636 1.00 0.00 C ATOM 515 O THR A 35 -0.433 -15.747 0.667 1.00 0.00 O ATOM 516 CB THR A 35 -2.047 -14.235 2.978 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.019 -14.946 3.634 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.315 -15.091 3.028 1.00 0.00 C ATOM 0 H THR A 35 -3.360 -12.682 1.603 1.00 0.00 H new ATOM 0 HA THR A 35 -0.615 -13.398 1.598 1.00 0.00 H new ATOM 0 HB THR A 35 -2.262 -13.290 3.478 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.313 -15.188 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.555 -15.326 4.065 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.143 -14.542 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.152 -16.016 2.475 1.00 0.00 H new ATOM 526 N TRP A 36 -2.446 -15.312 -0.238 1.00 0.00 N ATOM 527 CA TRP A 36 -2.447 -16.404 -1.220 1.00 0.00 C ATOM 528 C TRP A 36 -1.602 -16.145 -2.484 1.00 0.00 C ATOM 529 O TRP A 36 -1.448 -17.055 -3.303 1.00 0.00 O ATOM 530 CB TRP A 36 -3.902 -16.793 -1.550 1.00 0.00 C ATOM 531 CG TRP A 36 -4.887 -15.720 -1.948 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.961 -15.358 -1.208 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.980 -14.912 -3.172 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.744 -14.468 -1.905 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.169 -14.117 -3.100 1.00 0.00 C ATOM 536 CE3 TRP A 36 -4.193 -14.754 -4.335 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.547 -13.214 -4.103 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.541 -13.819 -5.332 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.717 -13.055 -5.223 1.00 0.00 C ATOM 0 H TRP A 36 -3.290 -14.741 -0.282 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.941 -17.249 -0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.869 -17.523 -2.359 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.310 -17.303 -0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.173 -15.717 -0.212 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.641 -14.113 -1.574 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.309 -15.360 -4.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.463 -12.649 -4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.897 -13.688 -6.189 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.980 -12.350 -5.997 1.00 0.00 H new ATOM 550 N CYS A 37 -1.042 -14.943 -2.661 1.00 0.00 N ATOM 551 CA CYS A 37 -0.264 -14.562 -3.846 1.00 0.00 C ATOM 552 C CYS A 37 1.250 -14.512 -3.556 1.00 0.00 C ATOM 553 O CYS A 37 1.693 -13.867 -2.602 1.00 0.00 O ATOM 554 CB CYS A 37 -0.836 -13.241 -4.376 1.00 0.00 C ATOM 555 SG CYS A 37 0.097 -12.665 -5.823 1.00 0.00 S ATOM 0 H CYS A 37 -1.118 -14.194 -1.973 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.358 -15.320 -4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.884 -13.375 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.802 -12.485 -3.592 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.398 -11.536 -6.237 1.00 0.00 H new ATOM 561 N GLY A 38 2.057 -15.161 -4.405 1.00 0.00 N ATOM 562 CA GLY A 38 3.521 -15.235 -4.269 1.00 0.00 C ATOM 563 C GLY A 38 4.212 -13.866 -4.328 1.00 0.00 C ATOM 564 O GLY A 38 4.861 -13.481 -3.355 1.00 0.00 O ATOM 0 H GLY A 38 1.706 -15.660 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.766 -15.716 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.920 -15.869 -5.061 1.00 0.00 H new ATOM 568 N PRO A 39 4.035 -13.070 -5.400 1.00 0.00 N ATOM 569 CA PRO A 39 4.543 -11.698 -5.468 1.00 0.00 C ATOM 570 C PRO A 39 4.072 -10.787 -4.321 1.00 0.00 C ATOM 571 O PRO A 39 4.857 -9.972 -3.836 1.00 0.00 O ATOM 572 CB PRO A 39 4.093 -11.180 -6.836 1.00 0.00 C ATOM 573 CG PRO A 39 4.057 -12.443 -7.693 1.00 0.00 C ATOM 574 CD PRO A 39 3.569 -13.505 -6.711 1.00 0.00 C ATOM 0 HA PRO A 39 5.627 -11.691 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.115 -10.701 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.788 -10.442 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.382 -12.336 -8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.040 -12.686 -8.096 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.482 -13.589 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.970 -14.487 -6.964 1.00 0.00 H new ATOM 582 N CYS A 40 2.837 -10.955 -3.820 1.00 0.00 N ATOM 583 CA CYS A 40 2.361 -10.245 -2.622 1.00 0.00 C ATOM 584 C CYS A 40 3.188 -10.620 -1.377 1.00 0.00 C ATOM 585 O CYS A 40 3.637 -9.740 -0.640 1.00 0.00 O ATOM 586 CB CYS A 40 0.877 -10.553 -2.374 1.00 0.00 C ATOM 587 SG CYS A 40 -0.207 -9.821 -3.630 1.00 0.00 S ATOM 0 H CYS A 40 2.145 -11.582 -4.231 1.00 0.00 H new ATOM 0 HA CYS A 40 2.483 -9.177 -2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.732 -11.633 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.592 -10.179 -1.391 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.391 -10.673 -4.595 1.00 0.00 H new ATOM 593 N LYS A 41 3.443 -11.921 -1.170 1.00 0.00 N ATOM 594 CA LYS A 41 4.289 -12.447 -0.085 1.00 0.00 C ATOM 595 C LYS A 41 5.747 -11.972 -0.196 1.00 0.00 C ATOM 596 O LYS A 41 6.383 -11.723 0.825 1.00 0.00 O ATOM 597 CB LYS A 41 4.189 -13.987 -0.102 1.00 0.00 C ATOM 598 CG LYS A 41 4.759 -14.695 1.140 1.00 0.00 C ATOM 599 CD LYS A 41 3.992 -14.441 2.448 1.00 0.00 C ATOM 600 CE LYS A 41 2.525 -14.885 2.350 1.00 0.00 C ATOM 601 NZ LYS A 41 1.845 -14.824 3.669 1.00 0.00 N ATOM 0 H LYS A 41 3.058 -12.654 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 41 3.929 -12.061 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.141 -14.266 -0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.710 -14.359 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.777 -15.768 0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.793 -14.378 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.479 -14.976 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.034 -13.380 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.998 -14.248 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.478 -15.903 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.815 -14.846 3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.134 -15.639 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.110 -13.944 4.156 1.00 0.00 H new ATOM 615 N MET A 42 6.258 -11.795 -1.419 1.00 0.00 N ATOM 616 CA MET A 42 7.623 -11.314 -1.688 1.00 0.00 C ATOM 617 C MET A 42 7.806 -9.805 -1.455 1.00 0.00 C ATOM 618 O MET A 42 8.859 -9.404 -0.958 1.00 0.00 O ATOM 619 CB MET A 42 8.044 -11.687 -3.119 1.00 0.00 C ATOM 620 CG MET A 42 8.261 -13.196 -3.309 1.00 0.00 C ATOM 621 SD MET A 42 9.567 -13.956 -2.296 1.00 0.00 S ATOM 622 CE MET A 42 11.046 -13.165 -2.988 1.00 0.00 C ATOM 0 H MET A 42 5.726 -11.985 -2.268 1.00 0.00 H new ATOM 0 HA MET A 42 8.270 -11.813 -0.966 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.280 -11.345 -3.817 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.964 -11.159 -3.370 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.322 -13.706 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.492 -13.379 -4.358 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.937 -13.607 -2.543 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.067 -13.314 -4.068 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.023 -12.097 -2.770 1.00 0.00 H new ATOM 632 N VAL A 43 6.811 -8.961 -1.768 1.00 0.00 N ATOM 633 CA VAL A 43 6.900 -7.499 -1.530 1.00 0.00 C ATOM 634 C VAL A 43 6.539 -7.086 -0.094 1.00 0.00 C ATOM 635 O VAL A 43 7.033 -6.066 0.384 1.00 0.00 O ATOM 636 CB VAL A 43 6.115 -6.722 -2.607 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.594 -6.803 -2.449 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.530 -5.247 -2.681 1.00 0.00 C ATOM 0 H VAL A 43 5.931 -9.260 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 43 7.949 -7.221 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 43 6.380 -7.223 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.115 -6.232 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.277 -7.844 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.306 -6.391 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.949 -4.744 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.346 -4.769 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.591 -5.179 -2.923 1.00 0.00 H new ATOM 648 N ALA A 44 5.762 -7.894 0.636 1.00 0.00 N ATOM 649 CA ALA A 44 5.406 -7.659 2.042 1.00 0.00 C ATOM 650 C ALA A 44 6.598 -7.356 2.984 1.00 0.00 C ATOM 651 O ALA A 44 6.530 -6.331 3.664 1.00 0.00 O ATOM 652 CB ALA A 44 4.556 -8.839 2.540 1.00 0.00 C ATOM 0 H ALA A 44 5.354 -8.749 0.258 1.00 0.00 H new ATOM 0 HA ALA A 44 4.827 -6.736 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.285 -8.677 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.651 -8.915 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.129 -9.762 2.453 1.00 0.00 H new ATOM 658 N PRO A 45 7.703 -8.135 3.033 1.00 0.00 N ATOM 659 CA PRO A 45 8.851 -7.808 3.888 1.00 0.00 C ATOM 660 C PRO A 45 9.591 -6.533 3.449 1.00 0.00 C ATOM 661 O PRO A 45 10.157 -5.831 4.288 1.00 0.00 O ATOM 662 CB PRO A 45 9.763 -9.039 3.839 1.00 0.00 C ATOM 663 CG PRO A 45 9.428 -9.681 2.494 1.00 0.00 C ATOM 664 CD PRO A 45 7.931 -9.412 2.371 1.00 0.00 C ATOM 0 HA PRO A 45 8.519 -7.586 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.815 -8.761 3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.565 -9.718 4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.991 -9.230 1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.652 -10.748 2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.625 -9.371 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.351 -10.206 2.842 1.00 0.00 H new ATOM 672 N VAL A 46 9.557 -6.183 2.156 1.00 0.00 N ATOM 673 CA VAL A 46 10.180 -4.949 1.644 1.00 0.00 C ATOM 674 C VAL A 46 9.354 -3.723 2.055 1.00 0.00 C ATOM 675 O VAL A 46 9.914 -2.741 2.542 1.00 0.00 O ATOM 676 CB VAL A 46 10.410 -4.999 0.120 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.344 -3.876 -0.303 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.047 -6.322 -0.327 1.00 0.00 C ATOM 0 H VAL A 46 9.100 -6.743 1.436 1.00 0.00 H new ATOM 0 HA VAL A 46 11.167 -4.863 2.098 1.00 0.00 H new ATOM 0 HB VAL A 46 9.430 -4.898 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.500 -3.919 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.901 -2.916 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.301 -3.987 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.190 -6.310 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.012 -6.446 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.393 -7.151 -0.056 1.00 0.00 H new ATOM 688 N LEU A 47 8.022 -3.805 1.951 1.00 0.00 N ATOM 689 CA LEU A 47 7.078 -2.806 2.470 1.00 0.00 C ATOM 690 C LEU A 47 7.110 -2.697 4.003 1.00 0.00 C ATOM 691 O LEU A 47 6.930 -1.606 4.528 1.00 0.00 O ATOM 692 CB LEU A 47 5.657 -3.177 2.016 1.00 0.00 C ATOM 693 CG LEU A 47 5.336 -2.745 0.576 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.146 -3.550 0.076 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.980 -1.258 0.499 1.00 0.00 C ATOM 0 H LEU A 47 7.558 -4.589 1.491 1.00 0.00 H new ATOM 0 HA LEU A 47 7.376 -1.836 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.529 -4.256 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.937 -2.717 2.693 1.00 0.00 H new ATOM 0 HG LEU A 47 6.220 -2.922 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.909 -3.252 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.391 -4.612 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.285 -3.363 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.759 -0.990 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.106 -1.060 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.821 -0.664 0.857 1.00 0.00 H new ATOM 707 N GLU A 48 7.358 -3.789 4.730 1.00 0.00 N ATOM 708 CA GLU A 48 7.505 -3.794 6.194 1.00 0.00 C ATOM 709 C GLU A 48 8.736 -2.980 6.639 1.00 0.00 C ATOM 710 O GLU A 48 8.648 -2.116 7.519 1.00 0.00 O ATOM 711 CB GLU A 48 7.591 -5.256 6.665 1.00 0.00 C ATOM 712 CG GLU A 48 7.522 -5.410 8.182 1.00 0.00 C ATOM 713 CD GLU A 48 7.657 -6.890 8.589 1.00 0.00 C ATOM 714 OE1 GLU A 48 8.798 -7.413 8.626 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.625 -7.548 8.866 1.00 0.00 O ATOM 0 H GLU A 48 7.465 -4.714 4.313 1.00 0.00 H new ATOM 0 HA GLU A 48 6.640 -3.314 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.778 -5.824 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.523 -5.691 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.316 -4.826 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.576 -5.012 8.550 1.00 0.00 H new ATOM 722 N GLU A 49 9.874 -3.181 5.965 1.00 0.00 N ATOM 723 CA GLU A 49 11.053 -2.329 6.138 1.00 0.00 C ATOM 724 C GLU A 49 10.740 -0.877 5.753 1.00 0.00 C ATOM 725 O GLU A 49 10.988 0.026 6.544 1.00 0.00 O ATOM 726 CB GLU A 49 12.242 -2.868 5.328 1.00 0.00 C ATOM 727 CG GLU A 49 12.848 -4.131 5.960 1.00 0.00 C ATOM 728 CD GLU A 49 14.021 -4.697 5.132 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.843 -3.904 4.611 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.148 -5.941 5.024 1.00 0.00 O ATOM 0 H GLU A 49 10.002 -3.934 5.289 1.00 0.00 H new ATOM 0 HA GLU A 49 11.329 -2.345 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.916 -3.092 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.009 -2.097 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.196 -3.899 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.074 -4.893 6.057 1.00 0.00 H new ATOM 737 N ILE A 50 10.109 -0.629 4.602 1.00 0.00 N ATOM 738 CA ILE A 50 9.720 0.726 4.176 1.00 0.00 C ATOM 739 C ILE A 50 8.773 1.414 5.181 1.00 0.00 C ATOM 740 O ILE A 50 8.936 2.602 5.454 1.00 0.00 O ATOM 741 CB ILE A 50 9.204 0.672 2.713 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.189 1.323 1.726 1.00 0.00 C ATOM 743 CG2 ILE A 50 7.810 1.269 2.481 1.00 0.00 C ATOM 744 CD1 ILE A 50 11.611 0.762 1.754 1.00 0.00 C ATOM 0 H ILE A 50 9.852 -1.358 3.937 1.00 0.00 H new ATOM 0 HA ILE A 50 10.594 1.378 4.178 1.00 0.00 H new ATOM 0 HB ILE A 50 9.123 -0.398 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.792 1.212 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.234 2.392 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.547 1.180 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.079 0.731 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.813 2.321 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.224 1.288 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.036 0.898 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.588 -0.300 1.511 1.00 0.00 H new ATOM 756 N ALA A 51 7.865 0.676 5.819 1.00 0.00 N ATOM 757 CA ALA A 51 7.010 1.175 6.894 1.00 0.00 C ATOM 758 C ALA A 51 7.813 1.555 8.144 1.00 0.00 C ATOM 759 O ALA A 51 7.554 2.589 8.761 1.00 0.00 O ATOM 760 CB ALA A 51 5.980 0.094 7.235 1.00 0.00 C ATOM 0 H ALA A 51 7.700 -0.306 5.598 1.00 0.00 H new ATOM 0 HA ALA A 51 6.515 2.083 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.332 0.449 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.379 -0.127 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.495 -0.810 7.558 1.00 0.00 H new ATOM 766 N THR A 52 8.797 0.728 8.505 1.00 0.00 N ATOM 767 CA THR A 52 9.610 0.915 9.718 1.00 0.00 C ATOM 768 C THR A 52 10.611 2.066 9.548 1.00 0.00 C ATOM 769 O THR A 52 10.874 2.815 10.488 1.00 0.00 O ATOM 770 CB THR A 52 10.322 -0.402 10.077 1.00 0.00 C ATOM 771 OG1 THR A 52 9.376 -1.446 10.203 1.00 0.00 O ATOM 772 CG2 THR A 52 11.065 -0.335 11.412 1.00 0.00 C ATOM 0 H THR A 52 9.057 -0.096 7.963 1.00 0.00 H new ATOM 0 HA THR A 52 8.950 1.188 10.541 1.00 0.00 H new ATOM 0 HB THR A 52 11.035 -0.580 9.272 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.090 -1.738 9.312 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.546 -1.293 11.609 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.821 0.449 11.369 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.358 -0.113 12.211 1.00 0.00 H new ATOM 780 N GLU A 53 11.148 2.237 8.339 1.00 0.00 N ATOM 781 CA GLU A 53 12.188 3.216 8.009 1.00 0.00 C ATOM 782 C GLU A 53 11.651 4.604 7.618 1.00 0.00 C ATOM 783 O GLU A 53 12.262 5.616 7.970 1.00 0.00 O ATOM 784 CB GLU A 53 13.034 2.662 6.857 1.00 0.00 C ATOM 785 CG GLU A 53 13.774 1.361 7.207 1.00 0.00 C ATOM 786 CD GLU A 53 14.595 0.817 6.022 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.476 1.318 4.877 1.00 0.00 O ATOM 788 OE2 GLU A 53 15.369 -0.149 6.206 1.00 0.00 O ATOM 0 H GLU A 53 10.862 1.679 7.534 1.00 0.00 H new ATOM 0 HA GLU A 53 12.776 3.364 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.389 2.483 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.763 3.415 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.437 1.539 8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.051 0.608 7.521 1.00 0.00 H new ATOM 795 N ARG A 54 10.534 4.670 6.875 1.00 0.00 N ATOM 796 CA ARG A 54 10.036 5.900 6.215 1.00 0.00 C ATOM 797 C ARG A 54 8.838 6.547 6.922 1.00 0.00 C ATOM 798 O ARG A 54 8.233 7.463 6.369 1.00 0.00 O ATOM 799 CB ARG A 54 9.776 5.645 4.708 1.00 0.00 C ATOM 800 CG ARG A 54 10.891 4.877 3.964 1.00 0.00 C ATOM 801 CD ARG A 54 12.274 5.548 4.003 1.00 0.00 C ATOM 802 NE ARG A 54 13.367 4.553 3.961 1.00 0.00 N ATOM 803 CZ ARG A 54 14.651 4.791 4.157 1.00 0.00 C ATOM 804 NH1 ARG A 54 15.129 5.998 4.269 1.00 0.00 N ATOM 805 NH2 ARG A 54 15.484 3.801 4.269 1.00 0.00 N ATOM 0 H ARG A 54 9.938 3.859 6.710 1.00 0.00 H new ATOM 0 HA ARG A 54 10.830 6.642 6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.845 5.088 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.628 6.606 4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.975 3.879 4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.593 4.751 2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.371 6.231 3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.362 6.147 4.909 1.00 0.00 H new ATOM 0 HE ARG A 54 13.103 3.588 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.504 6.802 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.128 6.139 4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.146 2.841 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.476 3.984 4.420 1.00 0.00 H new ATOM 819 N ALA A 55 8.521 6.120 8.147 1.00 0.00 N ATOM 820 CA ALA A 55 7.374 6.582 8.944 1.00 0.00 C ATOM 821 C ALA A 55 7.280 8.118 9.103 1.00 0.00 C ATOM 822 O ALA A 55 6.182 8.681 9.143 1.00 0.00 O ATOM 823 CB ALA A 55 7.459 5.908 10.319 1.00 0.00 C ATOM 0 H ALA A 55 9.076 5.415 8.633 1.00 0.00 H new ATOM 0 HA ALA A 55 6.467 6.302 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.620 6.231 10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.423 4.826 10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.394 6.188 10.804 1.00 0.00 H new ATOM 829 N THR A 56 8.424 8.808 9.166 1.00 0.00 N ATOM 830 CA THR A 56 8.518 10.277 9.284 1.00 0.00 C ATOM 831 C THR A 56 8.112 11.005 7.991 1.00 0.00 C ATOM 832 O THR A 56 7.660 12.150 8.037 1.00 0.00 O ATOM 833 CB THR A 56 9.956 10.678 9.671 1.00 0.00 C ATOM 834 OG1 THR A 56 10.447 9.849 10.710 1.00 0.00 O ATOM 835 CG2 THR A 56 10.085 12.121 10.163 1.00 0.00 C ATOM 0 H THR A 56 9.337 8.354 9.136 1.00 0.00 H new ATOM 0 HA THR A 56 7.816 10.580 10.061 1.00 0.00 H new ATOM 0 HB THR A 56 10.530 10.566 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.361 10.119 10.939 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.125 12.328 10.416 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.760 12.804 9.378 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.462 12.261 11.046 1.00 0.00 H new ATOM 843 N ASP A 57 8.238 10.345 6.836 1.00 0.00 N ATOM 844 CA ASP A 57 7.974 10.902 5.502 1.00 0.00 C ATOM 845 C ASP A 57 6.616 10.466 4.931 1.00 0.00 C ATOM 846 O ASP A 57 5.938 11.252 4.266 1.00 0.00 O ATOM 847 CB ASP A 57 9.097 10.459 4.553 1.00 0.00 C ATOM 848 CG ASP A 57 10.456 11.038 4.975 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.702 12.242 4.722 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.275 10.295 5.566 1.00 0.00 O ATOM 0 H ASP A 57 8.538 9.371 6.801 1.00 0.00 H new ATOM 0 HA ASP A 57 7.943 11.988 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.153 9.371 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.864 10.780 3.538 1.00 0.00 H new ATOM 855 N LEU A 58 6.215 9.219 5.197 1.00 0.00 N ATOM 856 CA LEU A 58 4.986 8.591 4.709 1.00 0.00 C ATOM 857 C LEU A 58 4.418 7.582 5.724 1.00 0.00 C ATOM 858 O LEU A 58 5.102 7.176 6.662 1.00 0.00 O ATOM 859 CB LEU A 58 5.231 7.996 3.302 1.00 0.00 C ATOM 860 CG LEU A 58 6.351 6.948 3.123 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.018 5.597 3.754 1.00 0.00 C ATOM 862 CD2 LEU A 58 6.569 6.698 1.629 1.00 0.00 C ATOM 0 H LEU A 58 6.764 8.592 5.785 1.00 0.00 H new ATOM 0 HA LEU A 58 4.208 9.347 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.298 7.542 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.442 8.824 2.626 1.00 0.00 H new ATOM 0 HG LEU A 58 7.234 7.355 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.846 4.906 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.856 5.725 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.115 5.194 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.359 5.959 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.646 6.327 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.858 7.630 1.143 1.00 0.00 H new ATOM 874 N THR A 59 3.160 7.183 5.555 1.00 0.00 N ATOM 875 CA THR A 59 2.532 6.061 6.287 1.00 0.00 C ATOM 876 C THR A 59 2.344 4.879 5.338 1.00 0.00 C ATOM 877 O THR A 59 2.048 5.090 4.164 1.00 0.00 O ATOM 878 CB THR A 59 1.203 6.496 6.928 1.00 0.00 C ATOM 879 OG1 THR A 59 1.475 7.459 7.924 1.00 0.00 O ATOM 880 CG2 THR A 59 0.448 5.366 7.630 1.00 0.00 C ATOM 0 H THR A 59 2.527 7.633 4.894 1.00 0.00 H new ATOM 0 HA THR A 59 3.187 5.750 7.101 1.00 0.00 H new ATOM 0 HB THR A 59 0.587 6.868 6.109 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.635 7.746 8.340 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.477 5.756 8.055 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.215 4.582 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.068 4.954 8.426 1.00 0.00 H new ATOM 888 N VAL A 60 2.518 3.639 5.806 1.00 0.00 N ATOM 889 CA VAL A 60 2.364 2.425 4.979 1.00 0.00 C ATOM 890 C VAL A 60 1.193 1.579 5.480 1.00 0.00 C ATOM 891 O VAL A 60 1.106 1.253 6.664 1.00 0.00 O ATOM 892 CB VAL A 60 3.670 1.615 4.897 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.541 0.413 3.949 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.813 2.484 4.367 1.00 0.00 C ATOM 0 H VAL A 60 2.771 3.442 6.774 1.00 0.00 H new ATOM 0 HA VAL A 60 2.136 2.740 3.961 1.00 0.00 H new ATOM 0 HB VAL A 60 3.877 1.268 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.485 -0.131 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.752 -0.249 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.295 0.765 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.727 1.892 4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.561 2.848 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.966 3.331 5.035 1.00 0.00 H new ATOM 904 N ALA A 61 0.294 1.228 4.565 1.00 0.00 N ATOM 905 CA ALA A 61 -0.977 0.564 4.819 1.00 0.00 C ATOM 906 C ALA A 61 -1.175 -0.670 3.920 1.00 0.00 C ATOM 907 O ALA A 61 -0.649 -0.727 2.806 1.00 0.00 O ATOM 908 CB ALA A 61 -2.097 1.592 4.608 1.00 0.00 C ATOM 0 H ALA A 61 0.443 1.410 3.572 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.993 0.193 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.063 1.121 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.962 2.424 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.063 1.962 3.583 1.00 0.00 H new ATOM 914 N LYS A 62 -1.980 -1.634 4.377 1.00 0.00 N ATOM 915 CA LYS A 62 -2.390 -2.820 3.606 1.00 0.00 C ATOM 916 C LYS A 62 -3.911 -2.946 3.490 1.00 0.00 C ATOM 917 O LYS A 62 -4.618 -2.810 4.491 1.00 0.00 O ATOM 918 CB LYS A 62 -1.775 -4.088 4.221 1.00 0.00 C ATOM 919 CG LYS A 62 -0.356 -4.347 3.689 1.00 0.00 C ATOM 920 CD LYS A 62 0.266 -5.571 4.381 1.00 0.00 C ATOM 921 CE LYS A 62 1.581 -6.022 3.730 1.00 0.00 C ATOM 922 NZ LYS A 62 1.361 -6.631 2.394 1.00 0.00 N ATOM 0 H LYS A 62 -2.377 -1.614 5.317 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.012 -2.698 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.744 -3.988 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.410 -4.946 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.390 -4.510 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.268 -3.470 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.448 -5.336 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.446 -6.396 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.249 -5.166 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.078 -6.743 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.223 -7.130 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.570 -7.305 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.136 -5.885 1.705 1.00 0.00 H new ATOM 936 N LEU A 63 -4.383 -3.257 2.279 1.00 0.00 N ATOM 937 CA LEU A 63 -5.760 -3.660 1.971 1.00 0.00 C ATOM 938 C LEU A 63 -5.741 -5.110 1.472 1.00 0.00 C ATOM 939 O LEU A 63 -5.150 -5.426 0.439 1.00 0.00 O ATOM 940 CB LEU A 63 -6.378 -2.662 0.961 1.00 0.00 C ATOM 941 CG LEU A 63 -7.871 -2.825 0.577 1.00 0.00 C ATOM 942 CD1 LEU A 63 -8.174 -4.129 -0.166 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.792 -2.724 1.790 1.00 0.00 C ATOM 0 H LEU A 63 -3.790 -3.234 1.449 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.396 -3.630 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.248 -1.658 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.792 -2.714 0.043 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.068 -1.996 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.237 -4.174 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.595 -4.165 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.906 -4.977 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.828 -2.844 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.539 -3.507 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.668 -1.749 2.261 1.00 0.00 H new ATOM 955 N ASP A 64 -6.395 -5.989 2.224 1.00 0.00 N ATOM 956 CA ASP A 64 -6.452 -7.424 1.971 1.00 0.00 C ATOM 957 C ASP A 64 -7.575 -7.741 0.966 1.00 0.00 C ATOM 958 O ASP A 64 -8.753 -7.802 1.332 1.00 0.00 O ATOM 959 CB ASP A 64 -6.684 -8.150 3.305 1.00 0.00 C ATOM 960 CG ASP A 64 -5.465 -8.198 4.237 1.00 0.00 C ATOM 961 OD1 ASP A 64 -4.793 -7.164 4.466 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.224 -9.266 4.845 1.00 0.00 O ATOM 0 H ASP A 64 -6.918 -5.712 3.055 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.513 -7.765 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.505 -7.661 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.003 -9.171 3.095 1.00 0.00 H new ATOM 967 N VAL A 65 -7.233 -7.967 -0.307 1.00 0.00 N ATOM 968 CA VAL A 65 -8.225 -8.153 -1.388 1.00 0.00 C ATOM 969 C VAL A 65 -9.065 -9.426 -1.244 1.00 0.00 C ATOM 970 O VAL A 65 -10.128 -9.542 -1.851 1.00 0.00 O ATOM 971 CB VAL A 65 -7.603 -8.079 -2.797 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.810 -6.778 -2.977 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.706 -9.253 -3.196 1.00 0.00 C ATOM 0 H VAL A 65 -6.265 -8.027 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.902 -7.307 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.468 -8.120 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.381 -6.749 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.475 -5.925 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.010 -6.734 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.325 -9.093 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.870 -9.326 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.283 -10.177 -3.168 1.00 0.00 H new ATOM 983 N ASP A 66 -8.617 -10.369 -0.411 1.00 0.00 N ATOM 984 CA ASP A 66 -9.340 -11.605 -0.094 1.00 0.00 C ATOM 985 C ASP A 66 -10.594 -11.370 0.774 1.00 0.00 C ATOM 986 O ASP A 66 -11.541 -12.155 0.715 1.00 0.00 O ATOM 987 CB ASP A 66 -8.370 -12.558 0.613 1.00 0.00 C ATOM 988 CG ASP A 66 -8.960 -13.971 0.727 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.185 -14.599 -0.334 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.168 -14.460 1.863 1.00 0.00 O ATOM 0 H ASP A 66 -7.722 -10.293 0.073 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.702 -12.036 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.430 -12.597 0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.141 -12.176 1.608 1.00 0.00 H new ATOM 995 N THR A 67 -10.611 -10.286 1.564 1.00 0.00 N ATOM 996 CA THR A 67 -11.732 -9.912 2.452 1.00 0.00 C ATOM 997 C THR A 67 -12.351 -8.545 2.113 1.00 0.00 C ATOM 998 O THR A 67 -13.527 -8.316 2.402 1.00 0.00 O ATOM 999 CB THR A 67 -11.303 -10.036 3.925 1.00 0.00 C ATOM 1000 OG1 THR A 67 -12.407 -9.887 4.791 1.00 0.00 O ATOM 1001 CG2 THR A 67 -10.231 -9.032 4.347 1.00 0.00 C ATOM 0 H THR A 67 -9.832 -9.629 1.607 1.00 0.00 H new ATOM 0 HA THR A 67 -12.542 -10.620 2.279 1.00 0.00 H new ATOM 0 HB THR A 67 -10.876 -11.036 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.108 -9.972 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.983 -9.184 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.338 -9.176 3.739 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.606 -8.018 4.206 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.627 -7.669 1.398 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.151 -6.421 0.832 1.00 0.00 C ATOM 1011 C ASN A 68 -11.948 -6.332 -0.701 1.00 0.00 C ATOM 1012 O ASN A 68 -11.277 -5.416 -1.188 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.550 -5.235 1.609 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.927 -5.239 3.079 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -11.103 -5.421 3.958 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -13.181 -5.012 3.406 1.00 0.00 N ATOM 0 H ASN A 68 -10.638 -7.815 1.194 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.234 -6.393 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.464 -5.260 1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.886 -4.303 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.456 -4.990 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.878 -4.858 2.678 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.575 -7.223 -1.500 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.594 -7.097 -2.962 1.00 0.00 C ATOM 1025 C PRO A 69 -13.371 -5.855 -3.435 1.00 0.00 C ATOM 1026 O PRO A 69 -13.168 -5.389 -4.557 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.227 -8.397 -3.468 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.160 -8.802 -2.329 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.391 -8.360 -1.087 1.00 0.00 C ATOM 0 HA PRO A 69 -11.589 -6.955 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.773 -8.243 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.475 -9.161 -3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.128 -8.306 -2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.351 -9.875 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.074 -8.079 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.768 -9.169 -0.706 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.221 -5.276 -2.576 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.928 -4.015 -2.826 1.00 0.00 C ATOM 1039 C GLU A 70 -13.933 -2.862 -3.052 1.00 0.00 C ATOM 1040 O GLU A 70 -14.027 -2.138 -4.044 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.856 -3.691 -1.636 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.768 -4.835 -1.157 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.656 -5.396 -2.278 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.661 -4.754 -2.660 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.331 -6.468 -2.839 1.00 0.00 O ATOM 0 H GLU A 70 -14.440 -5.682 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.527 -4.128 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.239 -3.370 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.484 -2.844 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.153 -5.638 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.400 -4.475 -0.345 1.00 0.00 H new ATOM 1052 N THR A 71 -12.917 -2.754 -2.190 1.00 0.00 N ATOM 1053 CA THR A 71 -11.866 -1.725 -2.264 1.00 0.00 C ATOM 1054 C THR A 71 -10.857 -2.019 -3.376 1.00 0.00 C ATOM 1055 O THR A 71 -10.356 -1.093 -4.013 1.00 0.00 O ATOM 1056 CB THR A 71 -11.147 -1.567 -0.917 1.00 0.00 C ATOM 1057 OG1 THR A 71 -12.016 -1.827 0.160 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.614 -0.153 -0.702 1.00 0.00 C ATOM 0 H THR A 71 -12.797 -3.392 -1.403 1.00 0.00 H new ATOM 0 HA THR A 71 -12.361 -0.784 -2.504 1.00 0.00 H new ATOM 0 HB THR A 71 -10.324 -2.281 -0.949 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.882 -1.401 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.115 -0.096 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.904 0.092 -1.492 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.442 0.555 -0.725 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.613 -3.301 -3.673 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.763 -3.737 -4.784 1.00 0.00 C ATOM 1068 C ALA A 72 -10.301 -3.270 -6.151 1.00 0.00 C ATOM 1069 O ALA A 72 -9.540 -2.748 -6.969 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.624 -5.262 -4.719 1.00 0.00 C ATOM 0 H ALA A 72 -11.007 -4.075 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.781 -3.275 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.994 -5.605 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.170 -5.546 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.609 -5.721 -4.802 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.614 -3.406 -6.405 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.226 -2.916 -7.656 1.00 0.00 C ATOM 1078 C ARG A 73 -12.560 -1.418 -7.656 1.00 0.00 C ATOM 1079 O ARG A 73 -12.597 -0.824 -8.731 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.389 -3.813 -8.111 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.688 -3.631 -7.316 1.00 0.00 C ATOM 1082 CD ARG A 73 -15.780 -4.544 -7.890 1.00 0.00 C ATOM 1083 NE ARG A 73 -17.058 -4.364 -7.177 1.00 0.00 N ATOM 1084 CZ ARG A 73 -17.398 -4.901 -6.020 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -16.644 -5.769 -5.410 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -18.505 -4.555 -5.434 1.00 0.00 N ATOM 0 H ARG A 73 -12.272 -3.850 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.452 -3.000 -8.419 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.592 -3.615 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.077 -4.855 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.519 -3.867 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.010 -2.591 -7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.918 -4.327 -8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.463 -5.584 -7.816 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.750 -3.763 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.757 -6.055 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.940 -6.163 -4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.118 -3.864 -5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.761 -4.974 -4.540 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.730 -0.785 -6.490 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.056 0.648 -6.370 1.00 0.00 C ATOM 1102 C ASN A 74 -12.038 1.565 -7.077 1.00 0.00 C ATOM 1103 O ASN A 74 -12.428 2.526 -7.742 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.170 1.010 -4.877 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.558 2.467 -4.670 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.715 2.845 -4.793 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -12.618 3.335 -4.373 1.00 0.00 N ATOM 0 H ASN A 74 -12.645 -1.256 -5.589 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.007 0.815 -6.876 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.912 0.367 -4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.218 0.815 -4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.854 4.319 -4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.652 3.025 -4.269 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.742 1.250 -6.963 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.647 1.968 -7.638 1.00 0.00 C ATOM 1116 C PHE A 75 -9.162 1.262 -8.924 1.00 0.00 C ATOM 1117 O PHE A 75 -8.168 1.672 -9.528 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.515 2.217 -6.626 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.943 2.976 -5.381 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.122 4.371 -5.435 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.172 2.290 -4.172 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.524 5.077 -4.287 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.574 2.997 -3.025 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.750 4.390 -3.082 1.00 0.00 C ATOM 0 H PHE A 75 -10.416 0.473 -6.388 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.023 2.930 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.095 1.257 -6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.718 2.773 -7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.950 4.901 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.039 1.219 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.659 6.148 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.748 2.469 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.059 4.932 -2.200 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.837 0.177 -9.329 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.399 -0.792 -10.343 1.00 0.00 C ATOM 1136 C GLN A 76 -7.941 -1.240 -10.131 1.00 0.00 C ATOM 1137 O GLN A 76 -7.085 -1.103 -11.006 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.720 -0.277 -11.758 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.619 -1.406 -12.796 1.00 0.00 C ATOM 1140 CD GLN A 76 -10.008 -0.931 -14.195 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -11.119 -1.138 -14.668 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -9.122 -0.266 -14.909 1.00 0.00 N ATOM 0 H GLN A 76 -10.749 -0.060 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.974 -1.710 -10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.724 0.147 -11.775 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.031 0.525 -12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.600 -1.792 -12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.267 -2.231 -12.499 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.193 -0.086 -14.529 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.366 0.068 -15.841 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.639 -1.747 -8.934 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.306 -2.204 -8.501 1.00 0.00 C ATOM 1153 C VAL A 77 -6.253 -3.721 -8.255 1.00 0.00 C ATOM 1154 O VAL A 77 -5.350 -4.227 -7.590 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.813 -1.389 -7.293 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.515 0.068 -7.662 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.776 -1.415 -6.107 1.00 0.00 C ATOM 0 H VAL A 77 -8.343 -1.857 -8.205 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.614 -2.019 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.890 -1.882 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.170 0.604 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.741 0.098 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.421 0.540 -8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.365 -0.820 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.737 -1.000 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.914 -2.443 -5.773 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.213 -4.461 -8.821 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.407 -5.914 -8.634 1.00 0.00 C ATOM 1169 C VAL A 78 -6.239 -6.787 -9.138 1.00 0.00 C ATOM 1170 O VAL A 78 -6.139 -7.954 -8.759 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.716 -6.387 -9.304 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -9.948 -5.741 -8.665 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -8.761 -6.110 -10.815 1.00 0.00 C ATOM 0 H VAL A 78 -7.907 -4.053 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.457 -6.049 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.732 -7.466 -9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.848 -6.100 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.990 -6.005 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.884 -4.658 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.707 -6.467 -11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.671 -5.038 -10.991 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.937 -6.628 -11.305 1.00 0.00 H new ATOM 1183 N SER A 79 -5.349 -6.246 -9.978 1.00 0.00 N ATOM 1184 CA SER A 79 -4.217 -6.934 -10.631 1.00 0.00 C ATOM 1185 C SER A 79 -3.002 -7.137 -9.698 1.00 0.00 C ATOM 1186 O SER A 79 -1.868 -6.803 -10.043 1.00 0.00 O ATOM 1187 CB SER A 79 -3.819 -6.177 -11.909 1.00 0.00 C ATOM 1188 OG SER A 79 -4.944 -5.959 -12.751 1.00 0.00 O ATOM 0 H SER A 79 -5.398 -5.261 -10.238 1.00 0.00 H new ATOM 0 HA SER A 79 -4.555 -7.937 -10.892 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.370 -5.220 -11.643 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.062 -6.745 -12.450 1.00 0.00 H new ATOM 0 HG SER A 79 -4.662 -5.474 -13.555 1.00 0.00 H new ATOM 1194 N ILE A 80 -3.251 -7.650 -8.492 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.346 -7.627 -7.332 1.00 0.00 C ATOM 1196 C ILE A 80 -0.966 -8.323 -7.508 1.00 0.00 C ATOM 1197 O ILE A 80 -0.834 -9.239 -8.325 1.00 0.00 O ATOM 1198 CB ILE A 80 -3.095 -8.153 -6.077 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -3.960 -9.426 -6.240 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -4.017 -7.044 -5.546 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.242 -10.627 -6.852 1.00 0.00 C ATOM 0 H ILE A 80 -4.133 -8.117 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.071 -6.579 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.289 -8.436 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.344 -9.713 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.822 -9.183 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.548 -7.403 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.421 -6.171 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.737 -6.770 -6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.933 -11.467 -6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.882 -10.367 -7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.397 -10.905 -6.222 1.00 0.00 H new ATOM 1213 N PRO A 81 0.071 -7.926 -6.732 1.00 0.00 N ATOM 1214 CA PRO A 81 0.097 -6.801 -5.790 1.00 0.00 C ATOM 1215 C PRO A 81 0.061 -5.453 -6.512 1.00 0.00 C ATOM 1216 O PRO A 81 0.708 -5.279 -7.548 1.00 0.00 O ATOM 1217 CB PRO A 81 1.398 -6.933 -4.992 1.00 0.00 C ATOM 1218 CG PRO A 81 2.321 -7.678 -5.952 1.00 0.00 C ATOM 1219 CD PRO A 81 1.369 -8.585 -6.734 1.00 0.00 C ATOM 0 HA PRO A 81 -0.781 -6.832 -5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.803 -5.959 -4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.248 -7.488 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.853 -6.992 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.075 -8.255 -5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.726 -8.735 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.304 -9.570 -6.271 1.00 0.00 H new ATOM 1227 N THR A 82 -0.660 -4.490 -5.940 1.00 0.00 N ATOM 1228 CA THR A 82 -0.809 -3.141 -6.504 1.00 0.00 C ATOM 1229 C THR A 82 -0.590 -2.098 -5.416 1.00 0.00 C ATOM 1230 O THR A 82 -1.258 -2.109 -4.385 1.00 0.00 O ATOM 1231 CB THR A 82 -2.181 -2.935 -7.166 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.524 -4.016 -8.005 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.192 -1.679 -8.041 1.00 0.00 C ATOM 0 H THR A 82 -1.164 -4.621 -5.063 1.00 0.00 H new ATOM 0 HA THR A 82 -0.054 -3.026 -7.282 1.00 0.00 H new ATOM 0 HB THR A 82 -2.895 -2.846 -6.348 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.487 -4.185 -7.943 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.176 -1.561 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.968 -0.806 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.440 -1.775 -8.824 1.00 0.00 H new ATOM 1241 N LEU A 83 0.352 -1.188 -5.644 1.00 0.00 N ATOM 1242 CA LEU A 83 0.727 -0.112 -4.735 1.00 0.00 C ATOM 1243 C LEU A 83 0.129 1.205 -5.247 1.00 0.00 C ATOM 1244 O LEU A 83 0.340 1.575 -6.404 1.00 0.00 O ATOM 1245 CB LEU A 83 2.263 -0.031 -4.620 1.00 0.00 C ATOM 1246 CG LEU A 83 2.939 -1.106 -3.740 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.832 -2.533 -4.284 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.432 -0.787 -3.632 1.00 0.00 C ATOM 0 H LEU A 83 0.898 -1.181 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 83 0.333 -0.307 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.685 -0.094 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.526 0.950 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 83 2.416 -1.075 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.334 -3.221 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.782 -2.811 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.304 -2.585 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.921 -1.539 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.878 -0.790 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.562 0.196 -3.179 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.574 1.933 -4.379 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.995 3.319 -4.616 1.00 0.00 C ATOM 1262 C ILE A 84 -0.360 4.217 -3.567 1.00 0.00 C ATOM 1263 O ILE A 84 -0.515 3.977 -2.369 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.534 3.478 -4.617 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.202 2.712 -5.779 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -2.943 4.965 -4.673 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -2.958 3.346 -7.152 1.00 0.00 C ATOM 0 H ILE A 84 -0.874 1.571 -3.474 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.656 3.612 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.887 3.045 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.829 1.688 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.276 2.659 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.030 5.044 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.541 5.486 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.547 5.417 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.457 2.754 -7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.356 4.361 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.887 3.375 -7.354 1.00 0.00 H new ATOM 1279 N LEU A 85 0.295 5.286 -4.015 1.00 0.00 N ATOM 1280 CA LEU A 85 0.696 6.387 -3.153 1.00 0.00 C ATOM 1281 C LEU A 85 -0.329 7.523 -3.261 1.00 0.00 C ATOM 1282 O LEU A 85 -0.523 8.095 -4.335 1.00 0.00 O ATOM 1283 CB LEU A 85 2.135 6.819 -3.490 1.00 0.00 C ATOM 1284 CG LEU A 85 2.750 7.787 -2.459 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.141 7.088 -1.157 1.00 0.00 C ATOM 1286 CD2 LEU A 85 4.008 8.439 -3.035 1.00 0.00 C ATOM 0 H LEU A 85 0.562 5.410 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 85 0.707 6.074 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.764 5.932 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.142 7.295 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 85 1.983 8.530 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.569 7.816 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.257 6.637 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.877 6.312 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.434 9.121 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.738 7.668 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.750 8.994 -3.937 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.962 7.855 -2.138 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.818 9.026 -1.955 1.00 0.00 C ATOM 1300 C PHE A 86 -1.010 10.164 -1.318 1.00 0.00 C ATOM 1301 O PHE A 86 -0.114 9.914 -0.507 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.023 8.689 -1.058 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.985 7.620 -1.554 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.683 6.255 -1.388 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.221 7.989 -2.119 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.592 5.271 -1.819 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -6.128 7.007 -2.554 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.811 5.646 -2.411 1.00 0.00 C ATOM 0 H PHE A 86 -0.889 7.290 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.187 9.337 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.643 8.375 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.591 9.605 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.751 5.962 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.474 9.034 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.353 4.225 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.068 7.299 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.501 4.890 -2.755 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.376 11.414 -1.616 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.989 12.605 -0.843 1.00 0.00 C ATOM 1320 C LYS A 87 -2.245 13.410 -0.510 1.00 0.00 C ATOM 1321 O LYS A 87 -3.101 13.590 -1.376 1.00 0.00 O ATOM 1322 CB LYS A 87 0.052 13.463 -1.581 1.00 0.00 C ATOM 1323 CG LYS A 87 1.336 12.692 -1.934 1.00 0.00 C ATOM 1324 CD LYS A 87 2.375 13.622 -2.578 1.00 0.00 C ATOM 1325 CE LYS A 87 3.602 12.828 -3.045 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.582 13.709 -3.739 1.00 0.00 N ATOM 0 H LYS A 87 -1.964 11.635 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.510 12.282 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.392 13.853 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.311 14.321 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.754 12.242 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.099 11.877 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.928 14.142 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.681 14.384 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.079 12.354 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.287 12.029 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.401 13.145 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.132 14.142 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.899 14.456 -3.088 1.00 0.00 H new ATOM 1340 N ASP A 88 -2.387 13.856 0.739 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.581 14.567 1.235 1.00 0.00 C ATOM 1342 C ASP A 88 -4.915 13.860 0.877 1.00 0.00 C ATOM 1343 O ASP A 88 -5.878 14.487 0.425 1.00 0.00 O ATOM 1344 CB ASP A 88 -3.504 16.049 0.822 1.00 0.00 C ATOM 1345 CG ASP A 88 -4.562 16.934 1.509 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -4.779 16.787 2.736 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -5.142 17.818 0.833 1.00 0.00 O ATOM 0 H ASP A 88 -1.667 13.735 1.451 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.580 14.535 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.512 16.433 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.625 16.124 -0.259 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.947 12.524 0.994 1.00 0.00 N ATOM 1353 CA GLY A 89 -6.119 11.688 0.710 1.00 0.00 C ATOM 1354 C GLY A 89 -6.524 11.601 -0.768 1.00 0.00 C ATOM 1355 O GLY A 89 -7.644 11.193 -1.067 1.00 0.00 O ATOM 0 H GLY A 89 -4.137 11.983 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.922 10.680 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.965 12.073 1.279 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.645 11.989 -1.696 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.866 11.957 -3.148 1.00 0.00 C ATOM 1361 C GLN A 90 -4.762 11.117 -3.820 1.00 0.00 C ATOM 1362 O GLN A 90 -3.599 11.252 -3.433 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.876 13.402 -3.678 1.00 0.00 C ATOM 1364 CG GLN A 90 -7.090 14.212 -3.184 1.00 0.00 C ATOM 1365 CD GLN A 90 -6.775 15.702 -3.081 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -6.935 16.472 -4.020 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -6.308 16.164 -1.939 1.00 0.00 N ATOM 0 H GLN A 90 -4.723 12.348 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.825 11.494 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.960 13.904 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.876 13.384 -4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.927 14.064 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.403 13.839 -2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.171 15.531 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.083 17.154 -1.843 1.00 0.00 H new ATOM 1376 N PRO A 91 -5.068 10.231 -4.789 1.00 0.00 N ATOM 1377 CA PRO A 91 -4.064 9.365 -5.414 1.00 0.00 C ATOM 1378 C PRO A 91 -3.077 10.177 -6.271 1.00 0.00 C ATOM 1379 O PRO A 91 -3.472 11.098 -6.991 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.859 8.343 -6.233 1.00 0.00 C ATOM 1381 CG PRO A 91 -6.150 9.087 -6.575 1.00 0.00 C ATOM 1382 CD PRO A 91 -6.387 9.960 -5.343 1.00 0.00 C ATOM 0 HA PRO A 91 -3.439 8.863 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.320 8.041 -7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.057 7.437 -5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.042 9.687 -7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.978 8.399 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.896 10.886 -5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.019 9.448 -4.617 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.791 9.820 -6.203 1.00 0.00 N ATOM 1391 CA VAL A 92 -0.676 10.537 -6.859 1.00 0.00 C ATOM 1392 C VAL A 92 0.177 9.616 -7.740 1.00 0.00 C ATOM 1393 O VAL A 92 0.546 10.022 -8.845 1.00 0.00 O ATOM 1394 CB VAL A 92 0.179 11.280 -5.806 1.00 0.00 C ATOM 1395 CG1 VAL A 92 1.435 11.928 -6.407 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.640 12.409 -5.168 1.00 0.00 C ATOM 0 H VAL A 92 -1.481 9.003 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.110 11.277 -7.532 1.00 0.00 H new ATOM 0 HB VAL A 92 0.478 10.527 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.995 12.434 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.060 11.158 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.142 12.652 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.030 12.927 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.951 13.114 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.522 11.990 -4.683 1.00 0.00 H new ATOM 1406 N LYS A 93 0.465 8.378 -7.305 1.00 0.00 N ATOM 1407 CA LYS A 93 1.241 7.394 -8.089 1.00 0.00 C ATOM 1408 C LYS A 93 0.719 5.961 -7.930 1.00 0.00 C ATOM 1409 O LYS A 93 0.230 5.594 -6.863 1.00 0.00 O ATOM 1410 CB LYS A 93 2.739 7.529 -7.744 1.00 0.00 C ATOM 1411 CG LYS A 93 3.635 6.696 -8.679 1.00 0.00 C ATOM 1412 CD LYS A 93 5.101 7.143 -8.673 1.00 0.00 C ATOM 1413 CE LYS A 93 5.748 6.997 -7.294 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.195 7.292 -7.368 1.00 0.00 N ATOM 0 H LYS A 93 0.166 8.027 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 93 1.111 7.618 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.030 8.578 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.901 7.213 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.581 5.648 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.247 6.761 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.661 6.553 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.162 8.183 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.268 7.674 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.596 5.985 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.644 7.059 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.627 6.723 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.333 8.302 -7.573 1.00 0.00 H new ATOM 1428 N ARG A 94 0.849 5.158 -8.993 1.00 0.00 N ATOM 1429 CA ARG A 94 0.447 3.744 -9.092 1.00 0.00 C ATOM 1430 C ARG A 94 1.609 2.861 -9.554 1.00 0.00 C ATOM 1431 O ARG A 94 2.346 3.229 -10.469 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.760 3.649 -10.044 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.257 2.210 -10.258 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.523 2.210 -11.117 1.00 0.00 C ATOM 1435 NE ARG A 94 -2.941 0.832 -11.438 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.165 0.340 -11.409 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.206 1.047 -11.079 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.384 -0.905 -11.712 1.00 0.00 N ATOM 0 H ARG A 94 1.263 5.496 -9.862 1.00 0.00 H new ATOM 0 HA ARG A 94 0.160 3.373 -8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.576 4.252 -9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.488 4.079 -11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.480 1.618 -10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.462 1.741 -9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.326 2.724 -10.589 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.342 2.764 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.200 0.187 -11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.096 2.029 -10.827 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.132 0.619 -11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.606 -1.510 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.334 -1.277 -11.687 1.00 0.00 H new ATOM 1452 N ILE A 95 1.750 1.692 -8.929 1.00 0.00 N ATOM 1453 CA ILE A 95 2.767 0.668 -9.224 1.00 0.00 C ATOM 1454 C ILE A 95 2.145 -0.735 -9.096 1.00 0.00 C ATOM 1455 O ILE A 95 1.269 -0.943 -8.262 1.00 0.00 O ATOM 1456 CB ILE A 95 4.035 0.816 -8.328 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.080 2.102 -7.459 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.270 0.741 -9.243 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.285 2.217 -6.517 1.00 0.00 C ATOM 0 H ILE A 95 1.132 1.415 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 95 3.104 0.813 -10.251 1.00 0.00 H new ATOM 0 HB ILE A 95 4.013 0.002 -7.603 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.074 2.968 -8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.169 2.150 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.174 0.842 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.282 -0.219 -9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.229 1.547 -9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.221 3.150 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.286 1.376 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.205 2.207 -7.101 1.00 0.00 H new ATOM 1471 N VAL A 96 2.564 -1.706 -9.911 1.00 0.00 N ATOM 1472 CA VAL A 96 2.032 -3.090 -9.907 1.00 0.00 C ATOM 1473 C VAL A 96 3.147 -4.137 -10.027 1.00 0.00 C ATOM 1474 O VAL A 96 4.207 -3.871 -10.603 1.00 0.00 O ATOM 1475 CB VAL A 96 0.895 -3.259 -10.945 1.00 0.00 C ATOM 1476 CG1 VAL A 96 1.269 -2.746 -12.344 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.389 -4.695 -11.095 1.00 0.00 C ATOM 0 H VAL A 96 3.295 -1.560 -10.608 1.00 0.00 H new ATOM 0 HA VAL A 96 1.577 -3.274 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 96 0.096 -2.647 -10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.429 -2.894 -13.022 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.509 -1.684 -12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.135 -3.295 -12.713 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.406 -4.725 -11.841 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.209 -5.338 -11.413 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.002 -5.046 -10.138 1.00 0.00 H new ATOM 1487 N GLY A 97 2.931 -5.315 -9.434 1.00 0.00 N ATOM 1488 CA GLY A 97 3.918 -6.393 -9.305 1.00 0.00 C ATOM 1489 C GLY A 97 4.910 -6.147 -8.164 1.00 0.00 C ATOM 1490 O GLY A 97 5.028 -5.027 -7.660 1.00 0.00 O ATOM 0 H GLY A 97 2.032 -5.553 -9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.400 -7.337 -9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.465 -6.494 -10.242 1.00 0.00 H new ATOM 1494 N ALA A 98 5.641 -7.181 -7.743 1.00 0.00 N ATOM 1495 CA ALA A 98 6.587 -7.082 -6.626 1.00 0.00 C ATOM 1496 C ALA A 98 7.770 -6.130 -6.908 1.00 0.00 C ATOM 1497 O ALA A 98 8.118 -5.856 -8.062 1.00 0.00 O ATOM 1498 CB ALA A 98 7.068 -8.491 -6.254 1.00 0.00 C ATOM 0 H ALA A 98 5.595 -8.109 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 98 6.063 -6.637 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.772 -8.428 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.214 -9.101 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.560 -8.946 -7.113 1.00 0.00 H new ATOM 1504 N LYS A 99 8.395 -5.628 -5.834 1.00 0.00 N ATOM 1505 CA LYS A 99 9.668 -4.884 -5.849 1.00 0.00 C ATOM 1506 C LYS A 99 10.633 -5.453 -4.805 1.00 0.00 C ATOM 1507 O LYS A 99 10.197 -5.897 -3.742 1.00 0.00 O ATOM 1508 CB LYS A 99 9.453 -3.378 -5.591 1.00 0.00 C ATOM 1509 CG LYS A 99 8.869 -2.622 -6.793 1.00 0.00 C ATOM 1510 CD LYS A 99 7.337 -2.528 -6.754 1.00 0.00 C ATOM 1511 CE LYS A 99 6.773 -2.132 -8.123 1.00 0.00 C ATOM 1512 NZ LYS A 99 6.768 -3.274 -9.073 1.00 0.00 N ATOM 0 H LYS A 99 8.015 -5.732 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 99 10.099 -5.000 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.786 -3.256 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.406 -2.926 -5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.289 -1.617 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.174 -3.121 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.918 -3.487 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.034 -1.795 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.757 -1.756 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.367 -1.317 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.379 -2.964 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.740 -3.617 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.181 -4.042 -8.690 1.00 0.00 H new ATOM 1526 N GLY A 100 11.934 -5.374 -5.082 1.00 0.00 N ATOM 1527 CA GLY A 100 12.989 -5.472 -4.070 1.00 0.00 C ATOM 1528 C GLY A 100 13.248 -4.112 -3.417 1.00 0.00 C ATOM 1529 O GLY A 100 12.809 -3.079 -3.929 1.00 0.00 O ATOM 0 H GLY A 100 12.291 -5.238 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.701 -6.197 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.906 -5.840 -4.530 1.00 0.00 H new ATOM 1533 N LYS A 101 13.980 -4.094 -2.298 1.00 0.00 N ATOM 1534 CA LYS A 101 14.293 -2.879 -1.509 1.00 0.00 C ATOM 1535 C LYS A 101 14.853 -1.727 -2.338 1.00 0.00 C ATOM 1536 O LYS A 101 14.493 -0.576 -2.107 1.00 0.00 O ATOM 1537 CB LYS A 101 15.275 -3.265 -0.387 1.00 0.00 C ATOM 1538 CG LYS A 101 15.450 -2.207 0.715 1.00 0.00 C ATOM 1539 CD LYS A 101 14.182 -2.031 1.564 1.00 0.00 C ATOM 1540 CE LYS A 101 14.342 -0.979 2.665 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.365 -1.356 3.672 1.00 0.00 N ATOM 0 H LYS A 101 14.385 -4.941 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 101 13.355 -2.506 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.933 -4.193 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.249 -3.470 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.280 -2.493 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.715 -1.253 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.353 -1.747 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.919 -2.987 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.616 -0.025 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.384 -0.832 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.208 -0.815 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.292 -2.373 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.313 -1.144 3.300 1.00 0.00 H new ATOM 1555 N ALA A 102 15.676 -2.045 -3.329 1.00 0.00 N ATOM 1556 CA ALA A 102 16.275 -1.052 -4.224 1.00 0.00 C ATOM 1557 C ALA A 102 15.226 -0.379 -5.130 1.00 0.00 C ATOM 1558 O ALA A 102 15.165 0.848 -5.203 1.00 0.00 O ATOM 1559 CB ALA A 102 17.394 -1.726 -5.028 1.00 0.00 C ATOM 0 H ALA A 102 15.951 -3.004 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 102 16.702 -0.245 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.849 -0.998 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.151 -2.113 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.979 -2.547 -5.612 1.00 0.00 H new ATOM 1565 N ALA A 103 14.351 -1.161 -5.772 1.00 0.00 N ATOM 1566 CA ALA A 103 13.290 -0.641 -6.638 1.00 0.00 C ATOM 1567 C ALA A 103 12.198 0.090 -5.836 1.00 0.00 C ATOM 1568 O ALA A 103 11.790 1.197 -6.208 1.00 0.00 O ATOM 1569 CB ALA A 103 12.723 -1.804 -7.462 1.00 0.00 C ATOM 0 H ALA A 103 14.360 -2.179 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 103 13.706 0.108 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.931 -1.436 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.517 -2.242 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.318 -2.562 -6.791 1.00 0.00 H new ATOM 1575 N LEU A 104 11.771 -0.481 -4.699 1.00 0.00 N ATOM 1576 CA LEU A 104 10.773 0.143 -3.832 1.00 0.00 C ATOM 1577 C LEU A 104 11.307 1.453 -3.242 1.00 0.00 C ATOM 1578 O LEU A 104 10.619 2.469 -3.310 1.00 0.00 O ATOM 1579 CB LEU A 104 10.317 -0.841 -2.736 1.00 0.00 C ATOM 1580 CG LEU A 104 9.083 -0.341 -1.954 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.819 -0.289 -2.816 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.791 -1.255 -0.767 1.00 0.00 C ATOM 0 H LEU A 104 12.108 -1.382 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 104 9.897 0.394 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.086 -1.803 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 104 11.139 -1.008 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 104 9.330 0.668 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.983 0.069 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.979 0.388 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.594 -1.287 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.918 -0.885 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.595 -2.266 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.651 -1.268 -0.097 1.00 0.00 H new ATOM 1594 N LEU A 105 12.548 1.476 -2.736 1.00 0.00 N ATOM 1595 CA LEU A 105 13.137 2.715 -2.232 1.00 0.00 C ATOM 1596 C LEU A 105 13.561 3.679 -3.343 1.00 0.00 C ATOM 1597 O LEU A 105 13.658 4.851 -3.043 1.00 0.00 O ATOM 1598 CB LEU A 105 14.247 2.479 -1.190 1.00 0.00 C ATOM 1599 CG LEU A 105 14.608 3.749 -0.372 1.00 0.00 C ATOM 1600 CD1 LEU A 105 13.427 4.367 0.386 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.676 3.393 0.661 1.00 0.00 C ATOM 0 H LEU A 105 13.154 0.658 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 105 12.331 3.218 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.930 1.693 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 105 15.141 2.117 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 105 14.952 4.483 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.765 5.249 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.650 4.654 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.025 3.638 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.934 4.281 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.292 2.623 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.565 3.021 0.152 1.00 0.00 H new ATOM 1613 N ARG A 106 13.745 3.302 -4.614 1.00 0.00 N ATOM 1614 CA ARG A 106 13.810 4.309 -5.701 1.00 0.00 C ATOM 1615 C ARG A 106 12.455 5.004 -5.886 1.00 0.00 C ATOM 1616 O ARG A 106 12.354 6.234 -5.780 1.00 0.00 O ATOM 1617 CB ARG A 106 14.328 3.671 -7.003 1.00 0.00 C ATOM 1618 CG ARG A 106 15.851 3.433 -6.999 1.00 0.00 C ATOM 1619 CD ARG A 106 16.679 4.598 -7.568 1.00 0.00 C ATOM 1620 NE ARG A 106 16.616 5.819 -6.741 1.00 0.00 N ATOM 1621 CZ ARG A 106 16.001 6.957 -6.995 1.00 0.00 C ATOM 1622 NH1 ARG A 106 15.277 7.159 -8.060 1.00 0.00 N ATOM 1623 NH2 ARG A 106 16.119 7.924 -6.141 1.00 0.00 N ATOM 0 H ARG A 106 13.850 2.334 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 106 14.524 5.083 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.819 2.720 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.070 4.315 -7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 106 16.173 3.240 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 106 16.067 2.534 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 106 17.719 4.284 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.325 4.829 -8.573 1.00 0.00 H new ATOM 0 HE ARG A 106 17.116 5.776 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.164 6.415 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.824 8.061 -8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.677 7.794 -5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.654 8.815 -6.312 1.00 0.00 H new ATOM 1637 N GLU A 107 11.392 4.214 -6.055 1.00 0.00 N ATOM 1638 CA GLU A 107 10.032 4.745 -6.229 1.00 0.00 C ATOM 1639 C GLU A 107 9.508 5.528 -5.012 1.00 0.00 C ATOM 1640 O GLU A 107 8.659 6.401 -5.178 1.00 0.00 O ATOM 1641 CB GLU A 107 9.048 3.634 -6.626 1.00 0.00 C ATOM 1642 CG GLU A 107 9.251 3.157 -8.072 1.00 0.00 C ATOM 1643 CD GLU A 107 9.047 4.259 -9.138 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.341 5.264 -8.870 1.00 0.00 O ATOM 1645 OE2 GLU A 107 9.600 4.125 -10.256 1.00 0.00 O ATOM 0 H GLU A 107 11.445 3.196 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 107 10.102 5.466 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.167 2.789 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.027 3.997 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.259 2.753 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.559 2.340 -8.274 1.00 0.00 H new ATOM 1652 N LEU A 108 10.023 5.268 -3.809 1.00 0.00 N ATOM 1653 CA LEU A 108 9.732 6.053 -2.602 1.00 0.00 C ATOM 1654 C LEU A 108 10.809 7.092 -2.276 1.00 0.00 C ATOM 1655 O LEU A 108 10.507 8.087 -1.629 1.00 0.00 O ATOM 1656 CB LEU A 108 9.444 5.101 -1.434 1.00 0.00 C ATOM 1657 CG LEU A 108 8.243 4.178 -1.716 1.00 0.00 C ATOM 1658 CD1 LEU A 108 8.107 3.196 -0.562 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.916 4.920 -1.900 1.00 0.00 C ATOM 0 H LEU A 108 10.665 4.494 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 108 8.840 6.649 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.328 4.494 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.249 5.683 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 108 8.446 3.674 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.261 2.534 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.019 2.604 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.944 3.745 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.121 4.200 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.684 5.481 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.997 5.607 -2.742 1.00 0.00 H new ATOM 1671 N SER A 109 12.030 6.965 -2.794 1.00 0.00 N ATOM 1672 CA SER A 109 13.034 8.046 -2.758 1.00 0.00 C ATOM 1673 C SER A 109 12.589 9.234 -3.627 1.00 0.00 C ATOM 1674 O SER A 109 12.934 10.385 -3.356 1.00 0.00 O ATOM 1675 CB SER A 109 14.431 7.596 -3.183 1.00 0.00 C ATOM 1676 OG SER A 109 15.361 8.662 -3.109 1.00 0.00 O ATOM 0 H SER A 109 12.358 6.114 -3.251 1.00 0.00 H new ATOM 0 HA SER A 109 13.101 8.352 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.762 6.777 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.397 7.211 -4.202 1.00 0.00 H new ATOM 0 HG SER A 109 15.187 9.193 -2.304 1.00 0.00 H new ATOM 1682 N ASP A 110 11.710 8.980 -4.605 1.00 0.00 N ATOM 1683 CA ASP A 110 10.935 10.012 -5.313 1.00 0.00 C ATOM 1684 C ASP A 110 10.118 10.933 -4.366 1.00 0.00 C ATOM 1685 O ASP A 110 9.706 12.023 -4.768 1.00 0.00 O ATOM 1686 CB ASP A 110 10.015 9.281 -6.302 1.00 0.00 C ATOM 1687 CG ASP A 110 9.321 10.186 -7.330 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.976 11.079 -7.919 1.00 0.00 O ATOM 1689 OD2 ASP A 110 8.123 9.931 -7.607 1.00 0.00 O ATOM 0 H ASP A 110 11.513 8.035 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 110 11.623 10.683 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.601 8.533 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.252 8.745 -5.738 1.00 0.00 H new ATOM 1694 N VAL A 111 9.918 10.529 -3.098 1.00 0.00 N ATOM 1695 CA VAL A 111 9.361 11.351 -2.003 1.00 0.00 C ATOM 1696 C VAL A 111 10.271 11.437 -0.753 1.00 0.00 C ATOM 1697 O VAL A 111 10.071 12.301 0.100 1.00 0.00 O ATOM 1698 CB VAL A 111 7.916 10.890 -1.711 1.00 0.00 C ATOM 1699 CG1 VAL A 111 7.762 9.777 -0.667 1.00 0.00 C ATOM 1700 CG2 VAL A 111 7.035 12.067 -1.277 1.00 0.00 C ATOM 0 H VAL A 111 10.149 9.583 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 111 9.323 12.389 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 111 7.595 10.471 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.706 9.536 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.301 8.889 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.170 10.113 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.024 11.711 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.446 12.515 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.008 12.813 -2.071 1.00 0.00 H new ATOM 1710 N VAL A 112 11.314 10.600 -0.676 1.00 0.00 N ATOM 1711 CA VAL A 112 12.392 10.574 0.336 1.00 0.00 C ATOM 1712 C VAL A 112 13.745 10.834 -0.353 1.00 0.00 C ATOM 1713 O VAL A 112 14.515 9.902 -0.593 1.00 0.00 O ATOM 1714 CB VAL A 112 12.373 9.248 1.143 1.00 0.00 C ATOM 1715 CG1 VAL A 112 13.365 9.308 2.316 1.00 0.00 C ATOM 1716 CG2 VAL A 112 10.987 8.970 1.740 1.00 0.00 C ATOM 0 H VAL A 112 11.441 9.864 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 112 12.229 11.369 1.064 1.00 0.00 H new ATOM 0 HB VAL A 112 12.645 8.459 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.334 8.368 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.372 9.471 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.093 10.127 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.012 8.034 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.709 9.784 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.254 8.894 0.937 1.00 0.00 H new