USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 653 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 Single : A 18 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.466 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.143) USER MOD Single : A 74 ASN : amide:sc= -3.84! K(o=-3.8!,f=-1.5) USER MOD Single : A 79 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.034) USER MOD Single : A 83 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-0.095) USER MOD Single : A 84 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-5.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.28! USER MOD Single : A 98 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.021) USER MOD Single : A 99 MET CE :methyl -145:sc= -8.87! (180deg=-13.4!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -7.897 -7.036 -16.016 1.00 0.00 N ATOM 149 CA GLU A 13 -6.842 -7.107 -15.020 1.00 0.00 C ATOM 150 C GLU A 13 -6.239 -5.720 -14.786 1.00 0.00 C ATOM 151 O GLU A 13 -5.951 -4.996 -15.738 1.00 0.00 O ATOM 152 CB GLU A 13 -5.765 -8.111 -15.432 1.00 0.00 C ATOM 153 CG GLU A 13 -4.755 -7.471 -16.387 1.00 0.00 C ATOM 154 CD GLU A 13 -3.839 -8.528 -17.006 1.00 0.00 C ATOM 155 OE1 GLU A 13 -4.247 -9.098 -18.041 1.00 0.00 O ATOM 156 OE2 GLU A 13 -2.751 -8.743 -16.429 1.00 0.00 O ATOM 0 HA GLU A 13 -7.277 -7.456 -14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.249 -8.481 -14.546 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.230 -8.972 -15.912 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.284 -6.936 -17.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.156 -6.736 -15.849 1.00 0.00 H new ATOM 163 N GLU A 14 -6.066 -5.392 -13.514 1.00 0.00 N ATOM 164 CA GLU A 14 -5.502 -4.105 -13.143 1.00 0.00 C ATOM 165 C GLU A 14 -4.285 -3.789 -14.013 1.00 0.00 C ATOM 166 O GLU A 14 -3.755 -4.669 -14.690 1.00 0.00 O ATOM 167 CB GLU A 14 -5.137 -4.074 -11.657 1.00 0.00 C ATOM 168 CG GLU A 14 -6.386 -3.904 -10.790 1.00 0.00 C ATOM 169 CD GLU A 14 -6.340 -4.834 -9.575 1.00 0.00 C ATOM 170 OE1 GLU A 14 -5.256 -4.908 -8.957 1.00 0.00 O ATOM 171 OE2 GLU A 14 -7.391 -5.449 -9.292 1.00 0.00 O ATOM 0 H GLU A 14 -6.306 -5.995 -12.727 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.256 -3.337 -13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.624 -4.997 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.443 -3.255 -11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.464 -2.869 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.276 -4.117 -11.382 1.00 0.00 H new ATOM 178 N GLU A 15 -3.876 -2.529 -13.968 1.00 0.00 N ATOM 179 CA GLU A 15 -2.731 -2.085 -14.744 1.00 0.00 C ATOM 180 C GLU A 15 -1.652 -1.517 -13.820 1.00 0.00 C ATOM 181 O GLU A 15 -1.925 -1.194 -12.665 1.00 0.00 O ATOM 182 CB GLU A 15 -3.148 -1.057 -15.798 1.00 0.00 C ATOM 183 CG GLU A 15 -4.082 -0.005 -15.197 1.00 0.00 C ATOM 184 CD GLU A 15 -4.423 1.076 -16.225 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.144 0.736 -17.188 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.955 2.218 -16.025 1.00 0.00 O ATOM 0 H GLU A 15 -4.318 -1.802 -13.406 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.316 -2.946 -15.268 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.263 -0.571 -16.208 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.647 -1.561 -16.626 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.998 -0.483 -14.849 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.610 0.451 -14.327 1.00 0.00 H new ATOM 193 N GLU A 16 -0.448 -1.411 -14.364 1.00 0.00 N ATOM 194 CA GLU A 16 0.674 -0.888 -13.603 1.00 0.00 C ATOM 195 C GLU A 16 0.651 0.642 -13.608 1.00 0.00 C ATOM 196 O GLU A 16 0.357 1.258 -14.631 1.00 0.00 O ATOM 197 CB GLU A 16 2.001 -1.418 -14.148 1.00 0.00 C ATOM 198 CG GLU A 16 2.302 -2.813 -13.596 1.00 0.00 C ATOM 199 CD GLU A 16 2.652 -3.785 -14.725 1.00 0.00 C ATOM 200 OE1 GLU A 16 3.857 -3.874 -15.045 1.00 0.00 O ATOM 201 OE2 GLU A 16 1.706 -4.418 -15.243 1.00 0.00 O ATOM 0 H GLU A 16 -0.225 -1.678 -15.323 1.00 0.00 H new ATOM 0 HA GLU A 16 0.580 -1.230 -12.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.963 -1.454 -15.237 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.807 -0.735 -13.880 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.130 -2.758 -12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.438 -3.185 -13.046 1.00 0.00 H new ATOM 208 N LEU A 17 0.965 1.211 -12.454 1.00 0.00 N ATOM 209 CA LEU A 17 0.984 2.657 -12.313 1.00 0.00 C ATOM 210 C LEU A 17 2.189 3.066 -11.463 1.00 0.00 C ATOM 211 O LEU A 17 2.761 2.241 -10.753 1.00 0.00 O ATOM 212 CB LEU A 17 -0.353 3.160 -11.765 1.00 0.00 C ATOM 213 CG LEU A 17 -1.571 2.281 -12.059 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.687 2.533 -11.043 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.052 2.474 -13.498 1.00 0.00 C ATOM 0 H LEU A 17 1.208 0.697 -11.607 1.00 0.00 H new ATOM 0 HA LEU A 17 1.103 3.133 -13.286 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.262 3.271 -10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.540 4.154 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.272 1.238 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.541 1.896 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.325 2.304 -10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.992 3.579 -11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.918 1.838 -13.680 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.329 3.517 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.252 2.205 -14.188 1.00 0.00 H new ATOM 227 N THR A 18 2.539 4.340 -11.565 1.00 0.00 N ATOM 228 CA THR A 18 3.665 4.869 -10.814 1.00 0.00 C ATOM 229 C THR A 18 3.289 6.195 -10.151 1.00 0.00 C ATOM 230 O THR A 18 2.895 7.143 -10.829 1.00 0.00 O ATOM 231 CB THR A 18 4.856 4.983 -11.768 1.00 0.00 C ATOM 232 OG1 THR A 18 4.906 3.714 -12.415 1.00 0.00 O ATOM 233 CG2 THR A 18 6.192 5.076 -11.027 1.00 0.00 C ATOM 0 H THR A 18 2.063 5.021 -12.156 1.00 0.00 H new ATOM 0 HA THR A 18 3.945 4.202 -9.998 1.00 0.00 H new ATOM 0 HB THR A 18 4.730 5.860 -12.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.650 3.701 -13.053 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.004 5.155 -11.750 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.191 5.956 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.334 4.183 -10.419 1.00 0.00 H new ATOM 241 N LEU A 19 3.424 6.220 -8.833 1.00 0.00 N ATOM 242 CA LEU A 19 3.103 7.415 -8.071 1.00 0.00 C ATOM 243 C LEU A 19 4.365 7.923 -7.372 1.00 0.00 C ATOM 244 O LEU A 19 5.242 7.137 -7.016 1.00 0.00 O ATOM 245 CB LEU A 19 1.938 7.144 -7.116 1.00 0.00 C ATOM 246 CG LEU A 19 0.591 6.835 -7.772 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.328 6.081 -6.809 1.00 0.00 C ATOM 248 CD2 LEU A 19 -0.063 8.111 -8.307 1.00 0.00 C ATOM 0 H LEU A 19 3.751 5.432 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 19 2.763 8.210 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.208 6.305 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.814 8.013 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 19 0.769 6.181 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.279 5.874 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.142 5.142 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.503 6.689 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.019 7.864 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.226 8.808 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.590 8.571 -9.049 1.00 0.00 H new ATOM 260 N THR A 20 4.418 9.236 -7.197 1.00 0.00 N ATOM 261 CA THR A 20 5.559 9.858 -6.547 1.00 0.00 C ATOM 262 C THR A 20 5.102 10.686 -5.344 1.00 0.00 C ATOM 263 O THR A 20 4.281 11.591 -5.485 1.00 0.00 O ATOM 264 CB THR A 20 6.312 10.677 -7.597 1.00 0.00 C ATOM 265 OG1 THR A 20 6.451 9.785 -8.700 1.00 0.00 O ATOM 266 CG2 THR A 20 7.753 10.981 -7.180 1.00 0.00 C ATOM 0 H THR A 20 3.690 9.885 -7.494 1.00 0.00 H new ATOM 0 HA THR A 20 6.242 9.109 -6.146 1.00 0.00 H new ATOM 0 HB THR A 20 5.781 11.612 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.928 10.236 -9.428 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.242 11.564 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.750 11.549 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.294 10.046 -7.033 1.00 0.00 H new ATOM 274 N ILE A 21 5.653 10.346 -4.188 1.00 0.00 N ATOM 275 CA ILE A 21 5.311 11.046 -2.962 1.00 0.00 C ATOM 276 C ILE A 21 6.479 11.945 -2.551 1.00 0.00 C ATOM 277 O ILE A 21 7.631 11.659 -2.875 1.00 0.00 O ATOM 278 CB ILE A 21 4.889 10.053 -1.878 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.736 9.170 -2.361 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.549 10.776 -0.573 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.858 7.752 -1.800 1.00 0.00 C ATOM 0 H ILE A 21 6.334 9.595 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 21 4.449 11.694 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 21 5.733 9.395 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.786 9.606 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.732 9.135 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.252 10.046 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.423 11.324 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.729 11.473 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.026 7.146 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.798 7.310 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.837 7.789 -0.711 1.00 0.00 H new ATOM 293 N LEU A 22 6.142 13.013 -1.844 1.00 0.00 N ATOM 294 CA LEU A 22 7.148 13.955 -1.385 1.00 0.00 C ATOM 295 C LEU A 22 7.382 13.756 0.114 1.00 0.00 C ATOM 296 O LEU A 22 6.431 13.631 0.883 1.00 0.00 O ATOM 297 CB LEU A 22 6.755 15.385 -1.761 1.00 0.00 C ATOM 298 CG LEU A 22 7.526 16.009 -2.926 1.00 0.00 C ATOM 299 CD1 LEU A 22 7.286 17.518 -2.997 1.00 0.00 C ATOM 300 CD2 LEU A 22 9.016 15.669 -2.841 1.00 0.00 C ATOM 0 H LEU A 22 5.186 13.247 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 22 8.099 13.769 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.693 15.396 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.886 16.019 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 22 7.149 15.579 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.846 17.936 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.223 17.711 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.619 17.983 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.542 16.124 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.424 16.053 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.145 14.587 -2.876 1.00 0.00 H new ATOM 312 N ARG A 23 8.654 13.733 0.483 1.00 0.00 N ATOM 313 CA ARG A 23 9.025 13.551 1.877 1.00 0.00 C ATOM 314 C ARG A 23 9.232 14.908 2.552 1.00 0.00 C ATOM 315 O ARG A 23 9.495 15.906 1.883 1.00 0.00 O ATOM 316 CB ARG A 23 10.308 12.727 2.002 1.00 0.00 C ATOM 317 CG ARG A 23 10.227 11.763 3.188 1.00 0.00 C ATOM 318 CD ARG A 23 11.512 10.943 3.316 1.00 0.00 C ATOM 319 NE ARG A 23 11.629 10.398 4.687 1.00 0.00 N ATOM 320 CZ ARG A 23 12.784 10.008 5.245 1.00 0.00 C ATOM 321 NH1 ARG A 23 13.927 10.100 4.552 1.00 0.00 N ATOM 322 NH2 ARG A 23 12.795 9.526 6.495 1.00 0.00 N ATOM 0 H ARG A 23 9.441 13.837 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 23 8.213 13.016 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.475 12.165 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.162 13.393 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.056 12.324 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.376 11.094 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.508 10.129 2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.376 11.567 3.089 1.00 0.00 H new ATOM 0 HE ARG A 23 10.777 10.314 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.918 10.467 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.806 9.803 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.925 9.456 7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.674 9.229 6.919 1.00 0.00 H new ATOM 381 N LEU A 28 5.963 8.673 4.900 1.00 0.00 N ATOM 382 CA LEU A 28 4.722 8.960 4.201 1.00 0.00 C ATOM 383 C LEU A 28 3.548 8.804 5.171 1.00 0.00 C ATOM 384 O LEU A 28 3.748 8.527 6.353 1.00 0.00 O ATOM 385 CB LEU A 28 4.601 8.095 2.946 1.00 0.00 C ATOM 386 CG LEU A 28 5.908 7.795 2.209 1.00 0.00 C ATOM 387 CD1 LEU A 28 5.677 6.810 1.061 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.576 9.086 1.731 1.00 0.00 C ATOM 0 HA LEU A 28 4.712 9.992 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.139 7.148 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.921 8.590 2.252 1.00 0.00 H new ATOM 0 HG LEU A 28 6.593 7.318 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.622 6.614 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.277 5.877 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.967 7.237 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.503 8.845 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.905 9.613 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.796 9.721 2.589 1.00 0.00 H new ATOM 400 N GLY A 29 2.351 8.989 4.635 1.00 0.00 N ATOM 401 CA GLY A 29 1.146 8.872 5.438 1.00 0.00 C ATOM 402 C GLY A 29 0.202 7.816 4.861 1.00 0.00 C ATOM 403 O GLY A 29 -0.916 8.131 4.456 1.00 0.00 O ATOM 0 H GLY A 29 2.190 9.219 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.411 8.607 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.638 9.835 5.480 1.00 0.00 H new ATOM 407 N ILE A 30 0.687 6.583 4.841 1.00 0.00 N ATOM 408 CA ILE A 30 -0.099 5.478 4.319 1.00 0.00 C ATOM 409 C ILE A 30 0.212 4.213 5.122 1.00 0.00 C ATOM 410 O ILE A 30 1.295 4.086 5.691 1.00 0.00 O ATOM 411 CB ILE A 30 0.127 5.323 2.814 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.616 5.397 2.473 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.693 6.348 2.028 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.051 4.184 1.647 1.00 0.00 C ATOM 0 H ILE A 30 1.615 6.325 5.178 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.164 5.678 4.438 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.223 4.335 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.820 6.312 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.201 5.445 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.514 6.216 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.753 6.205 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.397 7.355 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.114 4.262 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.868 3.272 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.481 4.153 0.718 1.00 0.00 H new ATOM 426 N SER A 31 -0.756 3.309 5.140 1.00 0.00 N ATOM 427 CA SER A 31 -0.599 2.058 5.863 1.00 0.00 C ATOM 428 C SER A 31 -0.528 0.890 4.878 1.00 0.00 C ATOM 429 O SER A 31 -1.333 0.805 3.952 1.00 0.00 O ATOM 430 CB SER A 31 -1.744 1.848 6.855 1.00 0.00 C ATOM 431 OG SER A 31 -1.476 2.453 8.117 1.00 0.00 O ATOM 0 H SER A 31 -1.652 3.418 4.665 1.00 0.00 H new ATOM 0 HA SER A 31 0.331 2.104 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.663 2.264 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.912 0.780 6.994 1.00 0.00 H new ATOM 0 HG SER A 31 -2.232 2.298 8.721 1.00 0.00 H new ATOM 437 N ILE A 32 0.442 0.018 5.112 1.00 0.00 N ATOM 438 CA ILE A 32 0.628 -1.142 4.257 1.00 0.00 C ATOM 439 C ILE A 32 0.236 -2.405 5.026 1.00 0.00 C ATOM 440 O ILE A 32 0.206 -2.403 6.255 1.00 0.00 O ATOM 441 CB ILE A 32 2.054 -1.176 3.703 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.071 -1.406 4.823 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.361 0.090 2.900 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.393 -1.934 4.262 1.00 0.00 C ATOM 0 H ILE A 32 1.107 0.092 5.882 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.026 -1.083 3.387 1.00 0.00 H new ATOM 0 HB ILE A 32 2.134 -2.019 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.246 -0.473 5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.668 -2.117 5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.381 0.040 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.664 0.170 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.257 0.963 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.099 -2.089 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.219 -2.880 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.805 -1.210 3.559 1.00 0.00 H new ATOM 456 N ALA A 33 -0.053 -3.454 4.270 1.00 0.00 N ATOM 457 CA ALA A 33 -0.442 -4.721 4.865 1.00 0.00 C ATOM 458 C ALA A 33 -0.197 -5.848 3.859 1.00 0.00 C ATOM 459 O ALA A 33 -0.277 -5.635 2.650 1.00 0.00 O ATOM 460 CB ALA A 33 -1.902 -4.648 5.314 1.00 0.00 C ATOM 0 H ALA A 33 -0.025 -3.452 3.250 1.00 0.00 H new ATOM 0 HA ALA A 33 0.160 -4.931 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.193 -5.599 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.017 -3.852 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.538 -4.442 4.453 1.00 0.00 H new ATOM 466 N GLY A 34 0.098 -7.023 4.396 1.00 0.00 N ATOM 467 CA GLY A 34 0.355 -8.184 3.561 1.00 0.00 C ATOM 468 C GLY A 34 1.794 -8.675 3.732 1.00 0.00 C ATOM 469 O GLY A 34 2.233 -8.944 4.849 1.00 0.00 O ATOM 0 H GLY A 34 0.165 -7.196 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.339 -8.984 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.175 -7.932 2.516 1.00 0.00 H new ATOM 473 N GLY A 35 2.488 -8.776 2.608 1.00 0.00 N ATOM 474 CA GLY A 35 3.869 -9.230 2.620 1.00 0.00 C ATOM 475 C GLY A 35 3.949 -10.736 2.878 1.00 0.00 C ATOM 476 O GLY A 35 3.344 -11.241 3.822 1.00 0.00 O ATOM 0 H GLY A 35 2.121 -8.552 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.341 -8.995 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.425 -8.695 3.390 1.00 0.00 H new ATOM 480 N LYS A 36 4.701 -11.411 2.021 1.00 0.00 N ATOM 481 CA LYS A 36 4.868 -12.849 2.144 1.00 0.00 C ATOM 482 C LYS A 36 5.016 -13.217 3.622 1.00 0.00 C ATOM 483 O LYS A 36 5.529 -12.427 4.413 1.00 0.00 O ATOM 484 CB LYS A 36 6.028 -13.331 1.271 1.00 0.00 C ATOM 485 CG LYS A 36 6.434 -14.760 1.637 1.00 0.00 C ATOM 486 CD LYS A 36 7.681 -15.191 0.862 1.00 0.00 C ATOM 487 CE LYS A 36 8.923 -14.457 1.369 1.00 0.00 C ATOM 488 NZ LYS A 36 10.091 -15.366 1.387 1.00 0.00 N ATOM 0 H LYS A 36 5.201 -10.989 1.239 1.00 0.00 H new ATOM 0 HA LYS A 36 3.984 -13.368 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.739 -13.289 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.881 -12.664 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.627 -14.824 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.612 -15.442 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.823 -16.267 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.542 -14.987 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.132 -13.599 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.740 -14.070 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.926 -14.852 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.895 -16.171 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.274 -15.715 0.425 1.00 0.00 H new ATOM 502 N GLY A 37 4.558 -14.416 3.949 1.00 0.00 N ATOM 503 CA GLY A 37 4.634 -14.898 5.318 1.00 0.00 C ATOM 504 C GLY A 37 3.428 -14.426 6.132 1.00 0.00 C ATOM 505 O GLY A 37 2.654 -15.241 6.632 1.00 0.00 O ATOM 0 H GLY A 37 4.133 -15.068 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.677 -15.987 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.553 -14.541 5.783 1.00 0.00 H new ATOM 509 N SER A 38 3.305 -13.111 6.242 1.00 0.00 N ATOM 510 CA SER A 38 2.207 -12.521 6.987 1.00 0.00 C ATOM 511 C SER A 38 0.890 -12.740 6.240 1.00 0.00 C ATOM 512 O SER A 38 0.883 -13.270 5.130 1.00 0.00 O ATOM 513 CB SER A 38 2.441 -11.027 7.223 1.00 0.00 C ATOM 514 OG SER A 38 3.313 -10.791 8.325 1.00 0.00 O ATOM 0 H SER A 38 3.949 -12.437 5.827 1.00 0.00 H new ATOM 0 HA SER A 38 2.152 -13.011 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.864 -10.580 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.486 -10.535 7.405 1.00 0.00 H new ATOM 0 HG SER A 38 3.439 -9.826 8.442 1.00 0.00 H new ATOM 520 N THR A 39 -0.193 -12.322 6.879 1.00 0.00 N ATOM 521 CA THR A 39 -1.513 -12.466 6.289 1.00 0.00 C ATOM 522 C THR A 39 -1.691 -11.479 5.133 1.00 0.00 C ATOM 523 O THR A 39 -1.344 -10.305 5.255 1.00 0.00 O ATOM 524 CB THR A 39 -2.549 -12.293 7.400 1.00 0.00 C ATOM 525 OG1 THR A 39 -2.478 -13.512 8.135 1.00 0.00 O ATOM 526 CG2 THR A 39 -3.983 -12.264 6.865 1.00 0.00 C ATOM 0 H THR A 39 -0.183 -11.883 7.800 1.00 0.00 H new ATOM 0 HA THR A 39 -1.645 -13.456 5.853 1.00 0.00 H new ATOM 0 HB THR A 39 -2.346 -11.371 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.118 -13.484 8.877 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.679 -12.139 7.695 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.095 -11.432 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.198 -13.200 6.349 1.00 0.00 H new ATOM 534 N PRO A 40 -2.246 -12.006 4.008 1.00 0.00 N ATOM 535 CA PRO A 40 -2.474 -11.184 2.831 1.00 0.00 C ATOM 536 C PRO A 40 -3.676 -10.259 3.033 1.00 0.00 C ATOM 537 O PRO A 40 -4.708 -10.681 3.554 1.00 0.00 O ATOM 538 CB PRO A 40 -2.670 -12.173 1.694 1.00 0.00 C ATOM 539 CG PRO A 40 -3.006 -13.502 2.350 1.00 0.00 C ATOM 540 CD PRO A 40 -2.669 -13.391 3.828 1.00 0.00 C ATOM 0 HA PRO A 40 -1.642 -10.512 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.473 -11.851 1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.768 -12.254 1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.062 -13.738 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.438 -14.310 1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.533 -13.625 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.877 -14.086 4.107 1.00 0.00 H new ATOM 548 N TYR A 41 -3.502 -9.016 2.611 1.00 0.00 N ATOM 549 CA TYR A 41 -4.560 -8.027 2.739 1.00 0.00 C ATOM 550 C TYR A 41 -5.841 -8.503 2.050 1.00 0.00 C ATOM 551 O TYR A 41 -6.943 -8.222 2.519 1.00 0.00 O ATOM 552 CB TYR A 41 -4.051 -6.771 2.030 1.00 0.00 C ATOM 553 CG TYR A 41 -5.100 -5.666 1.892 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.915 -5.623 0.779 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.232 -4.712 2.881 1.00 0.00 C ATOM 556 CE1 TYR A 41 -6.902 -4.583 0.649 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.219 -3.672 2.751 1.00 0.00 C ATOM 558 CZ TYR A 41 -7.006 -3.659 1.641 1.00 0.00 C ATOM 559 OH TYR A 41 -7.939 -2.677 1.518 1.00 0.00 O ATOM 0 H TYR A 41 -2.645 -8.670 2.180 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.794 -7.849 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.195 -6.378 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.695 -7.046 1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.812 -6.370 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.595 -4.746 3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.545 -4.538 -0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.332 -2.919 3.517 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.900 -2.089 2.301 1.00 0.00 H new ATOM 569 N LYS A 42 -5.653 -9.215 0.949 1.00 0.00 N ATOM 570 CA LYS A 42 -6.780 -9.733 0.191 1.00 0.00 C ATOM 571 C LYS A 42 -6.904 -11.238 0.434 1.00 0.00 C ATOM 572 O LYS A 42 -6.218 -11.791 1.292 1.00 0.00 O ATOM 573 CB LYS A 42 -6.650 -9.356 -1.286 1.00 0.00 C ATOM 574 CG LYS A 42 -7.012 -7.886 -1.511 1.00 0.00 C ATOM 575 CD LYS A 42 -8.021 -7.739 -2.652 1.00 0.00 C ATOM 576 CE LYS A 42 -7.791 -6.436 -3.421 1.00 0.00 C ATOM 577 NZ LYS A 42 -9.084 -5.797 -3.755 1.00 0.00 N ATOM 0 H LYS A 42 -4.737 -9.446 0.563 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.710 -9.278 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.630 -9.539 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.302 -9.991 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.429 -7.466 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.111 -7.317 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.934 -8.587 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.034 -7.755 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.186 -5.755 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.232 -6.640 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.910 -4.914 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.648 -6.442 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.603 -5.585 -2.879 1.00 0.00 H new ATOM 591 N GLY A 43 -7.783 -11.859 -0.339 1.00 0.00 N ATOM 592 CA GLY A 43 -8.006 -13.290 -0.219 1.00 0.00 C ATOM 593 C GLY A 43 -6.683 -14.038 -0.042 1.00 0.00 C ATOM 594 O GLY A 43 -6.230 -14.248 1.082 1.00 0.00 O ATOM 0 H GLY A 43 -8.349 -11.397 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.658 -13.490 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.520 -13.657 -1.107 1.00 0.00 H new ATOM 598 N ASP A 44 -6.100 -14.418 -1.169 1.00 0.00 N ATOM 599 CA ASP A 44 -4.838 -15.138 -1.153 1.00 0.00 C ATOM 600 C ASP A 44 -3.829 -14.410 -2.043 1.00 0.00 C ATOM 601 O ASP A 44 -3.263 -15.003 -2.961 1.00 0.00 O ATOM 602 CB ASP A 44 -5.007 -16.559 -1.694 1.00 0.00 C ATOM 603 CG ASP A 44 -5.624 -17.556 -0.711 1.00 0.00 C ATOM 604 OD1 ASP A 44 -5.977 -17.111 0.402 1.00 0.00 O ATOM 605 OD2 ASP A 44 -5.729 -18.741 -1.096 1.00 0.00 O ATOM 0 H ASP A 44 -6.478 -14.241 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.490 -15.184 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.630 -16.520 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.031 -16.933 -2.002 1.00 0.00 H new ATOM 610 N ASP A 45 -3.634 -13.135 -1.742 1.00 0.00 N ATOM 611 CA ASP A 45 -2.703 -12.319 -2.504 1.00 0.00 C ATOM 612 C ASP A 45 -1.501 -11.968 -1.624 1.00 0.00 C ATOM 613 O ASP A 45 -1.581 -11.071 -0.787 1.00 0.00 O ATOM 614 CB ASP A 45 -3.357 -11.012 -2.954 1.00 0.00 C ATOM 615 CG ASP A 45 -4.488 -11.172 -3.972 1.00 0.00 C ATOM 616 OD1 ASP A 45 -5.005 -12.305 -4.073 1.00 0.00 O ATOM 617 OD2 ASP A 45 -4.809 -10.157 -4.627 1.00 0.00 O ATOM 0 H ASP A 45 -4.105 -12.646 -0.981 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.395 -12.888 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.749 -10.498 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.590 -10.368 -3.384 1.00 0.00 H new ATOM 622 N GLU A 46 -0.415 -12.694 -1.845 1.00 0.00 N ATOM 623 CA GLU A 46 0.802 -12.470 -1.082 1.00 0.00 C ATOM 624 C GLU A 46 1.537 -11.236 -1.607 1.00 0.00 C ATOM 625 O GLU A 46 2.699 -11.322 -2.002 1.00 0.00 O ATOM 626 CB GLU A 46 1.706 -13.704 -1.119 1.00 0.00 C ATOM 627 CG GLU A 46 2.154 -14.014 -2.549 1.00 0.00 C ATOM 628 CD GLU A 46 1.445 -15.258 -3.088 1.00 0.00 C ATOM 629 OE1 GLU A 46 0.229 -15.378 -2.824 1.00 0.00 O ATOM 630 OE2 GLU A 46 2.136 -16.062 -3.751 1.00 0.00 O ATOM 0 H GLU A 46 -0.352 -13.437 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 46 0.529 -12.291 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.580 -13.538 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.174 -14.561 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.941 -13.161 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.233 -14.168 -2.571 1.00 0.00 H new ATOM 637 N GLY A 47 0.830 -10.115 -1.595 1.00 0.00 N ATOM 638 CA GLY A 47 1.401 -8.865 -2.064 1.00 0.00 C ATOM 639 C GLY A 47 1.189 -7.746 -1.042 1.00 0.00 C ATOM 640 O GLY A 47 0.412 -7.901 -0.100 1.00 0.00 O ATOM 0 H GLY A 47 -0.134 -10.047 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.467 -8.995 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.944 -8.586 -3.013 1.00 0.00 H new ATOM 644 N ILE A 48 1.893 -6.646 -1.261 1.00 0.00 N ATOM 645 CA ILE A 48 1.791 -5.502 -0.370 1.00 0.00 C ATOM 646 C ILE A 48 0.707 -4.553 -0.887 1.00 0.00 C ATOM 647 O ILE A 48 0.898 -3.881 -1.900 1.00 0.00 O ATOM 648 CB ILE A 48 3.157 -4.837 -0.193 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.151 -5.794 0.468 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.031 -3.521 0.576 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.902 -5.889 1.975 1.00 0.00 C ATOM 0 H ILE A 48 2.537 -6.522 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 48 1.487 -5.822 0.627 1.00 0.00 H new ATOM 0 HB ILE A 48 3.550 -4.596 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.063 -6.783 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.169 -5.450 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.017 -3.069 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.380 -2.840 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.607 -3.714 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.622 -6.576 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.015 -4.903 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.892 -6.256 2.154 1.00 0.00 H new ATOM 663 N PHE A 49 -0.405 -4.529 -0.169 1.00 0.00 N ATOM 664 CA PHE A 49 -1.519 -3.673 -0.542 1.00 0.00 C ATOM 665 C PHE A 49 -1.726 -2.562 0.489 1.00 0.00 C ATOM 666 O PHE A 49 -1.353 -2.711 1.651 1.00 0.00 O ATOM 667 CB PHE A 49 -2.768 -4.556 -0.581 1.00 0.00 C ATOM 668 CG PHE A 49 -2.843 -5.475 -1.802 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.889 -6.424 -1.999 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.864 -5.341 -2.691 1.00 0.00 C ATOM 671 CE1 PHE A 49 -1.959 -7.276 -3.133 1.00 0.00 C ATOM 672 CE2 PHE A 49 -3.933 -6.193 -3.825 1.00 0.00 C ATOM 673 CZ PHE A 49 -2.980 -7.143 -4.022 1.00 0.00 C ATOM 0 H PHE A 49 -0.559 -5.089 0.670 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.322 -3.205 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.798 -5.166 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.652 -3.918 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.078 -6.530 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.621 -4.587 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.201 -8.030 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.743 -6.086 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.034 -7.792 -4.884 1.00 0.00 H new ATOM 683 N ILE A 50 -2.321 -1.472 0.025 1.00 0.00 N ATOM 684 CA ILE A 50 -2.582 -0.336 0.892 1.00 0.00 C ATOM 685 C ILE A 50 -3.648 -0.720 1.921 1.00 0.00 C ATOM 686 O ILE A 50 -4.637 -1.367 1.583 1.00 0.00 O ATOM 687 CB ILE A 50 -2.943 0.898 0.064 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.914 1.137 -1.043 1.00 0.00 C ATOM 689 CG2 ILE A 50 -3.119 2.127 0.958 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.507 1.282 -0.460 1.00 0.00 C ATOM 0 H ILE A 50 -2.629 -1.352 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.684 -0.066 1.448 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.901 0.714 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.935 0.307 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.176 2.037 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.375 2.990 0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.918 1.943 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.189 2.325 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.206 1.451 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.483 2.127 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.239 0.371 0.075 1.00 0.00 H new ATOM 702 N SER A 51 -3.408 -0.305 3.156 1.00 0.00 N ATOM 703 CA SER A 51 -4.335 -0.597 4.237 1.00 0.00 C ATOM 704 C SER A 51 -5.137 0.657 4.592 1.00 0.00 C ATOM 705 O SER A 51 -6.337 0.578 4.850 1.00 0.00 O ATOM 706 CB SER A 51 -3.596 -1.121 5.469 1.00 0.00 C ATOM 707 OG SER A 51 -4.340 -0.911 6.667 1.00 0.00 O ATOM 0 H SER A 51 -2.585 0.231 3.432 1.00 0.00 H new ATOM 0 HA SER A 51 -5.020 -1.375 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.398 -2.186 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.629 -0.624 5.551 1.00 0.00 H new ATOM 0 HG SER A 51 -3.835 -1.260 7.431 1.00 0.00 H new ATOM 713 N ARG A 52 -4.441 1.785 4.593 1.00 0.00 N ATOM 714 CA ARG A 52 -5.074 3.054 4.912 1.00 0.00 C ATOM 715 C ARG A 52 -4.324 4.205 4.238 1.00 0.00 C ATOM 716 O ARG A 52 -3.099 4.174 4.131 1.00 0.00 O ATOM 717 CB ARG A 52 -5.104 3.289 6.423 1.00 0.00 C ATOM 718 CG ARG A 52 -6.113 4.380 6.788 1.00 0.00 C ATOM 719 CD ARG A 52 -5.444 5.501 7.586 1.00 0.00 C ATOM 720 NE ARG A 52 -5.151 5.038 8.961 1.00 0.00 N ATOM 721 CZ ARG A 52 -4.207 5.571 9.748 1.00 0.00 C ATOM 722 NH1 ARG A 52 -3.459 6.589 9.302 1.00 0.00 N ATOM 723 NH2 ARG A 52 -4.011 5.087 10.982 1.00 0.00 N ATOM 0 H ARG A 52 -3.446 1.847 4.378 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.098 3.017 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.365 2.362 6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.111 3.576 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.556 4.789 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.926 3.948 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.522 5.809 7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.095 6.374 7.619 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.702 4.265 9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.608 6.958 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.740 6.995 9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.581 4.312 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.292 5.493 11.581 1.00 0.00 H new ATOM 737 N VAL A 53 -5.091 5.192 3.800 1.00 0.00 N ATOM 738 CA VAL A 53 -4.514 6.351 3.140 1.00 0.00 C ATOM 739 C VAL A 53 -5.036 7.625 3.807 1.00 0.00 C ATOM 740 O VAL A 53 -6.146 8.071 3.520 1.00 0.00 O ATOM 741 CB VAL A 53 -4.809 6.298 1.639 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.645 7.679 1.000 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.924 5.263 0.943 1.00 0.00 C ATOM 0 H VAL A 53 -6.107 5.213 3.889 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.429 6.350 3.245 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.847 5.991 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.860 7.614 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.336 8.381 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.622 8.027 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.154 5.245 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.876 5.527 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.111 4.278 1.371 1.00 0.00 H new ATOM 753 N SER A 54 -4.210 8.176 4.685 1.00 0.00 N ATOM 754 CA SER A 54 -4.575 9.390 5.395 1.00 0.00 C ATOM 755 C SER A 54 -4.738 10.546 4.406 1.00 0.00 C ATOM 756 O SER A 54 -3.754 11.050 3.867 1.00 0.00 O ATOM 757 CB SER A 54 -3.529 9.742 6.455 1.00 0.00 C ATOM 758 OG SER A 54 -3.473 8.768 7.494 1.00 0.00 O ATOM 0 H SER A 54 -3.290 7.804 4.920 1.00 0.00 H new ATOM 0 HA SER A 54 -5.524 9.218 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.550 9.826 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.761 10.717 6.884 1.00 0.00 H new ATOM 0 HG SER A 54 -2.793 9.028 8.150 1.00 0.00 H new ATOM 764 N GLU A 55 -5.988 10.932 4.198 1.00 0.00 N ATOM 765 CA GLU A 55 -6.293 12.020 3.283 1.00 0.00 C ATOM 766 C GLU A 55 -5.349 13.199 3.528 1.00 0.00 C ATOM 767 O GLU A 55 -4.823 13.784 2.582 1.00 0.00 O ATOM 768 CB GLU A 55 -7.755 12.451 3.412 1.00 0.00 C ATOM 769 CG GLU A 55 -8.055 12.956 4.824 1.00 0.00 C ATOM 770 CD GLU A 55 -9.548 13.245 4.998 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.301 12.261 5.165 1.00 0.00 O ATOM 772 OE2 GLU A 55 -9.902 14.443 4.959 1.00 0.00 O ATOM 0 H GLU A 55 -6.802 10.511 4.647 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.142 11.665 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.972 13.236 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.408 11.611 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.737 12.212 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.481 13.861 5.020 1.00 0.00 H new ATOM 779 N GLU A 56 -5.165 13.514 4.801 1.00 0.00 N ATOM 780 CA GLU A 56 -4.295 14.613 5.182 1.00 0.00 C ATOM 781 C GLU A 56 -2.847 14.131 5.292 1.00 0.00 C ATOM 782 O GLU A 56 -2.233 14.232 6.353 1.00 0.00 O ATOM 783 CB GLU A 56 -4.760 15.253 6.492 1.00 0.00 C ATOM 784 CG GLU A 56 -5.433 16.602 6.235 1.00 0.00 C ATOM 785 CD GLU A 56 -6.727 16.732 7.041 1.00 0.00 C ATOM 786 OE1 GLU A 56 -6.736 16.228 8.185 1.00 0.00 O ATOM 787 OE2 GLU A 56 -7.678 17.333 6.496 1.00 0.00 O ATOM 0 H GLU A 56 -5.604 13.027 5.582 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.346 15.376 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.457 14.586 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.907 15.389 7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.751 17.409 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.650 16.707 5.172 1.00 0.00 H new ATOM 794 N GLY A 57 -2.343 13.616 4.180 1.00 0.00 N ATOM 795 CA GLY A 57 -0.979 13.118 4.137 1.00 0.00 C ATOM 796 C GLY A 57 -0.332 13.405 2.781 1.00 0.00 C ATOM 797 O GLY A 57 -0.965 13.979 1.896 1.00 0.00 O ATOM 0 H GLY A 57 -2.855 13.533 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.393 13.584 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.974 12.045 4.326 1.00 0.00 H new ATOM 801 N PRO A 58 0.955 12.983 2.657 1.00 0.00 N ATOM 802 CA PRO A 58 1.695 13.189 1.423 1.00 0.00 C ATOM 803 C PRO A 58 1.233 12.215 0.337 1.00 0.00 C ATOM 804 O PRO A 58 1.226 12.555 -0.845 1.00 0.00 O ATOM 805 CB PRO A 58 3.155 13.006 1.804 1.00 0.00 C ATOM 806 CG PRO A 58 3.149 12.250 3.123 1.00 0.00 C ATOM 807 CD PRO A 58 1.737 12.300 3.683 1.00 0.00 C ATOM 0 HA PRO A 58 1.531 14.177 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.692 12.449 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.655 13.969 1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.463 11.217 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.853 12.699 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.351 11.299 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.705 12.840 4.630 1.00 0.00 H new ATOM 815 N ALA A 59 0.860 11.022 0.778 1.00 0.00 N ATOM 816 CA ALA A 59 0.398 9.996 -0.142 1.00 0.00 C ATOM 817 C ALA A 59 -0.893 10.464 -0.815 1.00 0.00 C ATOM 818 O ALA A 59 -0.953 10.583 -2.037 1.00 0.00 O ATOM 819 CB ALA A 59 0.218 8.678 0.613 1.00 0.00 C ATOM 0 H ALA A 59 0.868 10.743 1.759 1.00 0.00 H new ATOM 0 HA ALA A 59 1.134 9.824 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.129 7.908 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.171 8.374 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.517 8.811 1.407 1.00 0.00 H new ATOM 825 N ALA A 60 -1.896 10.717 0.013 1.00 0.00 N ATOM 826 CA ALA A 60 -3.184 11.169 -0.486 1.00 0.00 C ATOM 827 C ALA A 60 -2.962 12.170 -1.622 1.00 0.00 C ATOM 828 O ALA A 60 -3.677 12.148 -2.622 1.00 0.00 O ATOM 829 CB ALA A 60 -3.998 11.764 0.664 1.00 0.00 C ATOM 0 H ALA A 60 -1.843 10.618 1.027 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.754 10.332 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.964 12.103 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.152 11.005 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.459 12.609 1.093 1.00 0.00 H new ATOM 835 N ARG A 61 -1.968 13.024 -1.429 1.00 0.00 N ATOM 836 CA ARG A 61 -1.643 14.031 -2.425 1.00 0.00 C ATOM 837 C ARG A 61 -1.156 13.366 -3.714 1.00 0.00 C ATOM 838 O ARG A 61 -1.662 13.657 -4.797 1.00 0.00 O ATOM 839 CB ARG A 61 -0.562 14.984 -1.912 1.00 0.00 C ATOM 840 CG ARG A 61 -1.086 15.836 -0.754 1.00 0.00 C ATOM 841 CD ARG A 61 -0.531 17.260 -0.825 1.00 0.00 C ATOM 842 NE ARG A 61 -1.642 18.231 -0.937 1.00 0.00 N ATOM 843 CZ ARG A 61 -2.241 18.557 -2.091 1.00 0.00 C ATOM 844 NH1 ARG A 61 -1.840 17.991 -3.237 1.00 0.00 N ATOM 845 NH2 ARG A 61 -3.241 19.449 -2.098 1.00 0.00 N ATOM 0 H ARG A 61 -1.377 13.040 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.549 14.602 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.306 14.412 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.229 15.632 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.175 15.865 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.804 15.379 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.061 17.473 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.136 17.357 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.973 18.680 -0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.079 17.312 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.296 18.239 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.546 19.880 -1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.697 19.697 -2.976 1.00 0.00 H new ATOM 859 N ALA A 62 -0.180 12.484 -3.555 1.00 0.00 N ATOM 860 CA ALA A 62 0.380 11.775 -4.692 1.00 0.00 C ATOM 861 C ALA A 62 -0.755 11.176 -5.525 1.00 0.00 C ATOM 862 O ALA A 62 -0.626 11.022 -6.738 1.00 0.00 O ATOM 863 CB ALA A 62 1.364 10.712 -4.198 1.00 0.00 C ATOM 0 H ALA A 62 0.237 12.245 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 62 0.934 12.459 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.784 10.180 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.167 11.192 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.843 10.006 -3.551 1.00 0.00 H new ATOM 869 N GLY A 63 -1.842 10.854 -4.839 1.00 0.00 N ATOM 870 CA GLY A 63 -3.000 10.276 -5.500 1.00 0.00 C ATOM 871 C GLY A 63 -3.121 8.783 -5.187 1.00 0.00 C ATOM 872 O GLY A 63 -3.668 8.021 -5.983 1.00 0.00 O ATOM 0 H GLY A 63 -1.945 10.982 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.903 10.793 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.918 10.420 -6.577 1.00 0.00 H new ATOM 876 N VAL A 64 -2.600 8.410 -4.027 1.00 0.00 N ATOM 877 CA VAL A 64 -2.643 7.022 -3.600 1.00 0.00 C ATOM 878 C VAL A 64 -4.091 6.629 -3.301 1.00 0.00 C ATOM 879 O VAL A 64 -4.903 7.474 -2.929 1.00 0.00 O ATOM 880 CB VAL A 64 -1.708 6.813 -2.406 1.00 0.00 C ATOM 881 CG1 VAL A 64 -2.279 7.461 -1.143 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.430 5.325 -2.182 1.00 0.00 C ATOM 0 H VAL A 64 -2.146 9.045 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.286 6.367 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.760 7.300 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.596 7.298 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.402 8.532 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.247 7.016 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.763 5.204 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.368 4.805 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.960 4.905 -3.071 1.00 0.00 H new ATOM 892 N ARG A 65 -4.370 5.345 -3.474 1.00 0.00 N ATOM 893 CA ARG A 65 -5.706 4.830 -3.228 1.00 0.00 C ATOM 894 C ARG A 65 -5.630 3.465 -2.540 1.00 0.00 C ATOM 895 O ARG A 65 -4.897 2.583 -2.984 1.00 0.00 O ATOM 896 CB ARG A 65 -6.493 4.693 -4.533 1.00 0.00 C ATOM 897 CG ARG A 65 -6.633 6.046 -5.233 1.00 0.00 C ATOM 898 CD ARG A 65 -7.595 5.953 -6.419 1.00 0.00 C ATOM 899 NE ARG A 65 -7.306 7.031 -7.391 1.00 0.00 N ATOM 900 CZ ARG A 65 -6.266 7.021 -8.236 1.00 0.00 C ATOM 901 NH1 ARG A 65 -5.410 5.990 -8.233 1.00 0.00 N ATOM 902 NH2 ARG A 65 -6.082 8.042 -9.084 1.00 0.00 N ATOM 0 H ARG A 65 -3.693 4.646 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.221 5.539 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.989 3.988 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.481 4.283 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.995 6.790 -4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.656 6.384 -5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.497 4.981 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.624 6.033 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.938 7.831 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.550 5.213 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.618 5.982 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.734 8.827 -9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.290 8.034 -9.727 1.00 0.00 H new ATOM 916 N VAL A 66 -6.398 3.334 -1.468 1.00 0.00 N ATOM 917 CA VAL A 66 -6.427 2.092 -0.716 1.00 0.00 C ATOM 918 C VAL A 66 -6.671 0.925 -1.675 1.00 0.00 C ATOM 919 O VAL A 66 -7.370 1.075 -2.676 1.00 0.00 O ATOM 920 CB VAL A 66 -7.473 2.179 0.398 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.623 0.836 1.115 1.00 0.00 C ATOM 922 CG2 VAL A 66 -7.128 3.293 1.388 1.00 0.00 C ATOM 0 H VAL A 66 -7.005 4.068 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.467 1.918 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.431 2.423 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.372 0.925 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.936 0.075 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.668 0.550 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.887 3.333 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.155 3.092 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.096 4.248 0.864 1.00 0.00 H new ATOM 932 N GLY A 67 -6.081 -0.212 -1.335 1.00 0.00 N ATOM 933 CA GLY A 67 -6.226 -1.404 -2.153 1.00 0.00 C ATOM 934 C GLY A 67 -5.085 -1.515 -3.166 1.00 0.00 C ATOM 935 O GLY A 67 -4.838 -2.589 -3.714 1.00 0.00 O ATOM 0 H GLY A 67 -5.502 -0.333 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.238 -2.288 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.181 -1.376 -2.677 1.00 0.00 H new ATOM 939 N ASP A 68 -4.419 -0.391 -3.385 1.00 0.00 N ATOM 940 CA ASP A 68 -3.309 -0.349 -4.322 1.00 0.00 C ATOM 941 C ASP A 68 -2.350 -1.503 -4.023 1.00 0.00 C ATOM 942 O ASP A 68 -1.936 -1.690 -2.880 1.00 0.00 O ATOM 943 CB ASP A 68 -2.528 0.961 -4.193 1.00 0.00 C ATOM 944 CG ASP A 68 -1.019 0.797 -4.004 1.00 0.00 C ATOM 945 OD1 ASP A 68 -0.445 -0.046 -4.727 1.00 0.00 O ATOM 946 OD2 ASP A 68 -0.473 1.520 -3.143 1.00 0.00 O ATOM 0 H ASP A 68 -4.627 0.498 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.716 -0.428 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.704 1.561 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.926 1.522 -3.348 1.00 0.00 H new ATOM 951 N LYS A 69 -2.025 -2.246 -5.071 1.00 0.00 N ATOM 952 CA LYS A 69 -1.123 -3.377 -4.934 1.00 0.00 C ATOM 953 C LYS A 69 0.300 -2.932 -5.277 1.00 0.00 C ATOM 954 O LYS A 69 0.713 -2.997 -6.433 1.00 0.00 O ATOM 955 CB LYS A 69 -1.616 -4.560 -5.771 1.00 0.00 C ATOM 956 CG LYS A 69 -0.584 -5.689 -5.785 1.00 0.00 C ATOM 957 CD LYS A 69 -1.021 -6.820 -6.718 1.00 0.00 C ATOM 958 CE LYS A 69 -0.103 -8.035 -6.575 1.00 0.00 C ATOM 959 NZ LYS A 69 1.038 -7.937 -7.512 1.00 0.00 N ATOM 0 H LYS A 69 -2.370 -2.087 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.108 -3.730 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.558 -4.929 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.814 -4.231 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.382 -5.300 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.450 -6.077 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.048 -7.107 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.009 -6.470 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.265 -8.102 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.665 -8.948 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.555 -8.839 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.685 -7.726 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.677 -7.176 -7.203 1.00 0.00 H new ATOM 973 N LEU A 70 1.011 -2.490 -4.249 1.00 0.00 N ATOM 974 CA LEU A 70 2.379 -2.035 -4.427 1.00 0.00 C ATOM 975 C LEU A 70 3.159 -3.078 -5.230 1.00 0.00 C ATOM 976 O LEU A 70 3.086 -4.271 -4.941 1.00 0.00 O ATOM 977 CB LEU A 70 3.012 -1.701 -3.075 1.00 0.00 C ATOM 978 CG LEU A 70 3.894 -0.451 -3.038 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.624 -0.255 -4.368 1.00 0.00 C ATOM 980 CD2 LEU A 70 3.079 0.783 -2.644 1.00 0.00 C ATOM 0 H LEU A 70 0.665 -2.438 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 70 2.401 -1.109 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.214 -1.580 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.611 -2.554 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 70 4.656 -0.593 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.244 0.640 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.254 -1.121 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.895 -0.144 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.729 1.658 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.281 0.939 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.645 0.632 -1.656 1.00 0.00 H new ATOM 992 N LEU A 71 3.888 -2.590 -6.223 1.00 0.00 N ATOM 993 CA LEU A 71 4.681 -3.465 -7.070 1.00 0.00 C ATOM 994 C LEU A 71 6.166 -3.171 -6.851 1.00 0.00 C ATOM 995 O LEU A 71 6.992 -4.082 -6.868 1.00 0.00 O ATOM 996 CB LEU A 71 4.239 -3.342 -8.529 1.00 0.00 C ATOM 997 CG LEU A 71 2.733 -3.436 -8.784 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.405 -3.139 -10.249 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.185 -4.793 -8.338 1.00 0.00 C ATOM 0 H LEU A 71 3.946 -1.600 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 71 4.519 -4.508 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.594 -2.387 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.734 -4.123 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 71 2.237 -2.675 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.328 -3.213 -10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.739 -2.132 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.913 -3.860 -10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.113 -4.833 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.684 -5.587 -8.894 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.368 -4.927 -7.272 1.00 0.00 H new ATOM 1011 N GLU A 72 6.461 -1.895 -6.649 1.00 0.00 N ATOM 1012 CA GLU A 72 7.833 -1.470 -6.427 1.00 0.00 C ATOM 1013 C GLU A 72 7.860 -0.157 -5.641 1.00 0.00 C ATOM 1014 O GLU A 72 6.967 0.676 -5.785 1.00 0.00 O ATOM 1015 CB GLU A 72 8.586 -1.332 -7.751 1.00 0.00 C ATOM 1016 CG GLU A 72 9.736 -0.332 -7.627 1.00 0.00 C ATOM 1017 CD GLU A 72 9.232 1.106 -7.770 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.813 1.450 -8.896 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.276 1.827 -6.750 1.00 0.00 O ATOM 0 H GLU A 72 5.773 -1.142 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 72 8.339 -2.235 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.976 -2.304 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.899 -1.006 -8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.226 -0.455 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.484 -0.536 -8.393 1.00 0.00 H new ATOM 1026 N VAL A 73 8.896 -0.013 -4.827 1.00 0.00 N ATOM 1027 CA VAL A 73 9.052 1.184 -4.019 1.00 0.00 C ATOM 1028 C VAL A 73 10.502 1.664 -4.102 1.00 0.00 C ATOM 1029 O VAL A 73 11.415 0.977 -3.646 1.00 0.00 O ATOM 1030 CB VAL A 73 8.594 0.910 -2.585 1.00 0.00 C ATOM 1031 CG1 VAL A 73 8.902 2.101 -1.674 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.105 0.558 -2.543 1.00 0.00 C ATOM 0 H VAL A 73 9.635 -0.706 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 73 8.421 1.987 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 73 9.152 0.051 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.566 1.880 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.976 2.287 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.383 2.985 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.805 0.368 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.523 1.389 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.925 -0.334 -3.144 1.00 0.00 H new ATOM 1042 N ASN A 74 10.670 2.841 -4.686 1.00 0.00 N ATOM 1043 CA ASN A 74 11.993 3.422 -4.835 1.00 0.00 C ATOM 1044 C ASN A 74 12.732 2.712 -5.971 1.00 0.00 C ATOM 1045 O ASN A 74 13.902 2.994 -6.226 1.00 0.00 O ATOM 1046 CB ASN A 74 12.816 3.251 -3.556 1.00 0.00 C ATOM 1047 CG ASN A 74 13.464 4.573 -3.140 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.675 4.708 -3.076 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.592 5.538 -2.861 1.00 0.00 N ATOM 0 H ASN A 74 9.911 3.409 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 74 11.873 4.484 -5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.175 2.887 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.588 2.497 -3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.925 6.458 -2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.591 5.358 -2.935 1.00 0.00 H new ATOM 1056 N GLY A 75 12.019 1.805 -6.622 1.00 0.00 N ATOM 1057 CA GLY A 75 12.593 1.053 -7.725 1.00 0.00 C ATOM 1058 C GLY A 75 12.713 -0.431 -7.373 1.00 0.00 C ATOM 1059 O GLY A 75 12.789 -1.279 -8.260 1.00 0.00 O ATOM 0 H GLY A 75 11.049 1.574 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.971 1.171 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.577 1.453 -7.970 1.00 0.00 H new ATOM 1063 N VAL A 76 12.725 -0.700 -6.075 1.00 0.00 N ATOM 1064 CA VAL A 76 12.833 -2.067 -5.595 1.00 0.00 C ATOM 1065 C VAL A 76 11.503 -2.788 -5.818 1.00 0.00 C ATOM 1066 O VAL A 76 10.445 -2.271 -5.463 1.00 0.00 O ATOM 1067 CB VAL A 76 13.279 -2.073 -4.131 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.195 -1.487 -3.225 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.666 -3.484 -3.682 1.00 0.00 C ATOM 0 H VAL A 76 12.662 0.006 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 76 13.594 -2.610 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 76 14.163 -1.440 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.538 -1.503 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.988 -0.459 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.285 -2.081 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.979 -3.461 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.808 -4.148 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.487 -3.850 -4.299 1.00 0.00 H new ATOM 1079 N ALA A 77 11.599 -3.973 -6.404 1.00 0.00 N ATOM 1080 CA ALA A 77 10.416 -4.770 -6.678 1.00 0.00 C ATOM 1081 C ALA A 77 9.926 -5.411 -5.378 1.00 0.00 C ATOM 1082 O ALA A 77 10.645 -6.193 -4.757 1.00 0.00 O ATOM 1083 CB ALA A 77 10.739 -5.809 -7.754 1.00 0.00 C ATOM 0 H ALA A 77 12.478 -4.400 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 77 9.611 -4.143 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.852 -6.407 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.055 -5.302 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.541 -6.458 -7.404 1.00 0.00 H new ATOM 1089 N LEU A 78 8.705 -5.057 -5.005 1.00 0.00 N ATOM 1090 CA LEU A 78 8.111 -5.587 -3.790 1.00 0.00 C ATOM 1091 C LEU A 78 7.101 -6.677 -4.155 1.00 0.00 C ATOM 1092 O LEU A 78 6.073 -6.823 -3.495 1.00 0.00 O ATOM 1093 CB LEU A 78 7.517 -4.458 -2.946 1.00 0.00 C ATOM 1094 CG LEU A 78 8.525 -3.520 -2.276 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.812 -2.458 -1.437 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.546 -4.310 -1.455 1.00 0.00 C ATOM 0 H LEU A 78 8.111 -4.410 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 78 8.874 -6.053 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.862 -3.862 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.892 -4.901 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 78 9.076 -2.996 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.551 -1.805 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.158 -1.867 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.219 -2.944 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.250 -3.621 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.029 -4.878 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.087 -4.995 -2.108 1.00 0.00 H new ATOM 1108 N GLN A 79 7.429 -7.415 -5.206 1.00 0.00 N ATOM 1109 CA GLN A 79 6.563 -8.487 -5.667 1.00 0.00 C ATOM 1110 C GLN A 79 6.956 -9.809 -5.003 1.00 0.00 C ATOM 1111 O GLN A 79 7.651 -10.626 -5.604 1.00 0.00 O ATOM 1112 CB GLN A 79 6.603 -8.606 -7.192 1.00 0.00 C ATOM 1113 CG GLN A 79 5.370 -9.346 -7.716 1.00 0.00 C ATOM 1114 CD GLN A 79 5.586 -9.820 -9.155 1.00 0.00 C ATOM 1115 OE1 GLN A 79 6.488 -10.585 -9.454 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.711 -9.325 -10.025 1.00 0.00 N ATOM 0 H GLN A 79 8.282 -7.292 -5.751 1.00 0.00 H new ATOM 0 HA GLN A 79 5.538 -8.249 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.652 -7.612 -7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.506 -9.136 -7.496 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.155 -10.202 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.501 -8.689 -7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.980 -8.689 -9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.771 -9.581 -11.010 1.00 0.00 H new ATOM 1125 N GLY A 80 6.493 -9.977 -3.773 1.00 0.00 N ATOM 1126 CA GLY A 80 6.787 -11.185 -3.022 1.00 0.00 C ATOM 1127 C GLY A 80 7.494 -10.854 -1.706 1.00 0.00 C ATOM 1128 O GLY A 80 7.306 -11.544 -0.705 1.00 0.00 O ATOM 0 H GLY A 80 5.916 -9.297 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.862 -11.724 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.415 -11.846 -3.620 1.00 0.00 H new ATOM 1132 N ALA A 81 8.293 -9.797 -1.750 1.00 0.00 N ATOM 1133 CA ALA A 81 9.029 -9.366 -0.574 1.00 0.00 C ATOM 1134 C ALA A 81 8.078 -9.304 0.623 1.00 0.00 C ATOM 1135 O ALA A 81 6.922 -8.909 0.482 1.00 0.00 O ATOM 1136 CB ALA A 81 9.700 -8.021 -0.856 1.00 0.00 C ATOM 0 H ALA A 81 8.446 -9.227 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 81 9.817 -10.079 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.252 -7.698 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.387 -8.126 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.940 -7.279 -1.100 1.00 0.00 H new ATOM 1142 N GLU A 82 8.600 -9.701 1.775 1.00 0.00 N ATOM 1143 CA GLU A 82 7.812 -9.695 2.995 1.00 0.00 C ATOM 1144 C GLU A 82 7.557 -8.258 3.456 1.00 0.00 C ATOM 1145 O GLU A 82 8.057 -7.311 2.851 1.00 0.00 O ATOM 1146 CB GLU A 82 8.497 -10.510 4.094 1.00 0.00 C ATOM 1147 CG GLU A 82 8.490 -12.002 3.755 1.00 0.00 C ATOM 1148 CD GLU A 82 8.859 -12.843 4.979 1.00 0.00 C ATOM 1149 OE1 GLU A 82 8.220 -12.625 6.031 1.00 0.00 O ATOM 1150 OE2 GLU A 82 9.771 -13.685 4.835 1.00 0.00 O ATOM 0 H GLU A 82 9.559 -10.029 1.888 1.00 0.00 H new ATOM 0 HA GLU A 82 6.851 -10.164 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.524 -10.167 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.988 -10.347 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.503 -12.292 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.196 -12.199 2.948 1.00 0.00 H new ATOM 1157 N HIS A 83 6.781 -8.142 4.523 1.00 0.00 N ATOM 1158 CA HIS A 83 6.454 -6.837 5.072 1.00 0.00 C ATOM 1159 C HIS A 83 7.739 -6.037 5.296 1.00 0.00 C ATOM 1160 O HIS A 83 7.933 -4.984 4.690 1.00 0.00 O ATOM 1161 CB HIS A 83 5.614 -6.976 6.343 1.00 0.00 C ATOM 1162 CG HIS A 83 4.962 -5.691 6.793 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.665 -5.349 6.453 1.00 0.00 N ATOM 1164 CD2 HIS A 83 5.441 -4.670 7.560 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.387 -4.172 6.995 1.00 0.00 C ATOM 1166 NE2 HIS A 83 4.489 -3.753 7.680 1.00 0.00 N ATOM 0 H HIS A 83 6.369 -8.930 5.022 1.00 0.00 H new ATOM 0 HA HIS A 83 5.842 -6.283 4.360 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.840 -7.724 6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.249 -7.350 7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.428 -4.617 7.996 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.452 -3.638 6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.569 -2.879 8.199 1.00 0.00 H new ATOM 1174 N HIS A 84 8.584 -6.568 6.167 1.00 0.00 N ATOM 1175 CA HIS A 84 9.845 -5.918 6.479 1.00 0.00 C ATOM 1176 C HIS A 84 10.481 -5.388 5.192 1.00 0.00 C ATOM 1177 O HIS A 84 10.815 -4.208 5.101 1.00 0.00 O ATOM 1178 CB HIS A 84 10.768 -6.863 7.250 1.00 0.00 C ATOM 1179 CG HIS A 84 11.337 -7.984 6.414 1.00 0.00 C ATOM 1180 ND1 HIS A 84 12.654 -8.010 5.990 1.00 0.00 N ATOM 1181 CD2 HIS A 84 10.754 -9.118 5.929 1.00 0.00 C ATOM 1182 CE1 HIS A 84 12.845 -9.113 5.282 1.00 0.00 C ATOM 1183 NE2 HIS A 84 11.666 -9.798 5.244 1.00 0.00 N ATOM 0 H HIS A 84 8.420 -7.442 6.667 1.00 0.00 H new ATOM 0 HA HIS A 84 9.666 -5.065 7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.590 -6.286 7.673 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.216 -7.292 8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.726 -9.413 6.077 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.771 -9.417 4.817 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.510 -10.686 4.768 1.00 0.00 H new ATOM 1191 N GLU A 85 10.629 -6.286 4.229 1.00 0.00 N ATOM 1192 CA GLU A 85 11.218 -5.924 2.952 1.00 0.00 C ATOM 1193 C GLU A 85 10.602 -4.624 2.432 1.00 0.00 C ATOM 1194 O GLU A 85 11.317 -3.730 1.982 1.00 0.00 O ATOM 1195 CB GLU A 85 11.055 -7.054 1.933 1.00 0.00 C ATOM 1196 CG GLU A 85 11.812 -8.307 2.378 1.00 0.00 C ATOM 1197 CD GLU A 85 12.411 -9.042 1.177 1.00 0.00 C ATOM 1198 OE1 GLU A 85 12.886 -8.337 0.260 1.00 0.00 O ATOM 1199 OE2 GLU A 85 12.380 -10.291 1.203 1.00 0.00 O ATOM 0 H GLU A 85 10.351 -7.264 4.308 1.00 0.00 H new ATOM 0 HA GLU A 85 12.286 -5.763 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.998 -7.288 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.424 -6.728 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.606 -8.029 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.137 -8.972 2.916 1.00 0.00 H new ATOM 1206 N ALA A 86 9.281 -4.560 2.512 1.00 0.00 N ATOM 1207 CA ALA A 86 8.560 -3.384 2.055 1.00 0.00 C ATOM 1208 C ALA A 86 9.001 -2.170 2.875 1.00 0.00 C ATOM 1209 O ALA A 86 9.541 -1.210 2.327 1.00 0.00 O ATOM 1210 CB ALA A 86 7.054 -3.638 2.153 1.00 0.00 C ATOM 0 H ALA A 86 8.691 -5.303 2.886 1.00 0.00 H new ATOM 0 HA ALA A 86 8.788 -3.176 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.513 -2.756 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.788 -4.492 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.787 -3.848 3.189 1.00 0.00 H new ATOM 1216 N VAL A 87 8.755 -2.253 4.174 1.00 0.00 N ATOM 1217 CA VAL A 87 9.121 -1.173 5.075 1.00 0.00 C ATOM 1218 C VAL A 87 10.509 -0.650 4.701 1.00 0.00 C ATOM 1219 O VAL A 87 10.681 0.542 4.449 1.00 0.00 O ATOM 1220 CB VAL A 87 9.033 -1.649 6.526 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.669 -0.633 7.477 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.583 -1.937 6.922 1.00 0.00 C ATOM 0 H VAL A 87 8.307 -3.051 4.624 1.00 0.00 H new ATOM 0 HA VAL A 87 8.423 -0.342 4.977 1.00 0.00 H new ATOM 0 HB VAL A 87 9.594 -2.580 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.593 -0.996 8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.719 -0.499 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.149 0.321 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.549 -2.274 7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.990 -1.029 6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.176 -2.714 6.274 1.00 0.00 H new ATOM 1232 N GLU A 88 11.465 -1.567 4.676 1.00 0.00 N ATOM 1233 CA GLU A 88 12.833 -1.214 4.336 1.00 0.00 C ATOM 1234 C GLU A 88 12.854 -0.275 3.128 1.00 0.00 C ATOM 1235 O GLU A 88 13.484 0.780 3.169 1.00 0.00 O ATOM 1236 CB GLU A 88 13.674 -2.465 4.074 1.00 0.00 C ATOM 1237 CG GLU A 88 14.979 -2.426 4.872 1.00 0.00 C ATOM 1238 CD GLU A 88 16.122 -1.861 4.026 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.142 -0.624 3.852 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.950 -2.680 3.572 1.00 0.00 O ATOM 0 H GLU A 88 11.319 -2.554 4.886 1.00 0.00 H new ATOM 0 HA GLU A 88 13.275 -0.692 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.104 -3.354 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.897 -2.541 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.846 -1.815 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.234 -3.431 5.209 1.00 0.00 H new ATOM 1247 N ALA A 89 12.159 -0.695 2.081 1.00 0.00 N ATOM 1248 CA ALA A 89 12.090 0.095 0.863 1.00 0.00 C ATOM 1249 C ALA A 89 11.385 1.420 1.159 1.00 0.00 C ATOM 1250 O ALA A 89 11.772 2.464 0.636 1.00 0.00 O ATOM 1251 CB ALA A 89 11.384 -0.711 -0.229 1.00 0.00 C ATOM 0 H ALA A 89 11.639 -1.572 2.051 1.00 0.00 H new ATOM 0 HA ALA A 89 13.091 0.329 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.332 -0.119 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.941 -1.628 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.375 -0.962 0.099 1.00 0.00 H new ATOM 1257 N LEU A 90 10.362 1.335 1.996 1.00 0.00 N ATOM 1258 CA LEU A 90 9.598 2.514 2.367 1.00 0.00 C ATOM 1259 C LEU A 90 10.511 3.496 3.105 1.00 0.00 C ATOM 1260 O LEU A 90 10.594 4.667 2.739 1.00 0.00 O ATOM 1261 CB LEU A 90 8.352 2.118 3.162 1.00 0.00 C ATOM 1262 CG LEU A 90 7.193 1.539 2.347 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.238 0.745 3.240 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.469 2.638 1.567 1.00 0.00 C ATOM 0 H LEU A 90 10.044 0.468 2.428 1.00 0.00 H new ATOM 0 HA LEU A 90 9.231 3.025 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.643 1.385 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.991 2.997 3.696 1.00 0.00 H new ATOM 0 HG LEU A 90 7.603 0.843 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.424 0.345 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.778 -0.076 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.831 1.400 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.650 2.200 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.072 3.377 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.169 3.121 0.885 1.00 0.00 H new ATOM 1276 N ARG A 91 11.174 2.982 4.130 1.00 0.00 N ATOM 1277 CA ARG A 91 12.078 3.798 4.922 1.00 0.00 C ATOM 1278 C ARG A 91 13.323 4.155 4.108 1.00 0.00 C ATOM 1279 O ARG A 91 13.958 5.179 4.354 1.00 0.00 O ATOM 1280 CB ARG A 91 12.504 3.069 6.198 1.00 0.00 C ATOM 1281 CG ARG A 91 13.856 2.378 6.010 1.00 0.00 C ATOM 1282 CD ARG A 91 14.162 1.444 7.183 1.00 0.00 C ATOM 1283 NE ARG A 91 15.625 1.358 7.392 1.00 0.00 N ATOM 1284 CZ ARG A 91 16.198 0.895 8.511 1.00 0.00 C ATOM 1285 NH1 ARG A 91 15.435 0.473 9.529 1.00 0.00 N ATOM 1286 NH2 ARG A 91 17.533 0.853 8.612 1.00 0.00 N ATOM 0 H ARG A 91 11.103 2.010 4.431 1.00 0.00 H new ATOM 0 HA ARG A 91 11.546 4.709 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.566 3.779 7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.749 2.331 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.852 1.810 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.643 3.128 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.678 1.812 8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.756 0.452 6.985 1.00 0.00 H new ATOM 0 HE ARG A 91 16.235 1.671 6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.418 0.504 9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.871 0.120 10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 91 18.113 1.174 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.969 0.500 9.464 1.00 0.00 H new ATOM 1300 N GLY A 92 13.635 3.290 3.154 1.00 0.00 N ATOM 1301 CA GLY A 92 14.792 3.502 2.301 1.00 0.00 C ATOM 1302 C GLY A 92 14.417 4.310 1.057 1.00 0.00 C ATOM 1303 O GLY A 92 14.441 3.789 -0.057 1.00 0.00 O ATOM 0 H GLY A 92 13.107 2.441 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.568 4.026 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.209 2.540 2.002 1.00 0.00 H new ATOM 1307 N ALA A 93 14.079 5.570 1.289 1.00 0.00 N ATOM 1308 CA ALA A 93 13.699 6.455 0.202 1.00 0.00 C ATOM 1309 C ALA A 93 13.929 7.907 0.627 1.00 0.00 C ATOM 1310 O ALA A 93 13.855 8.229 1.812 1.00 0.00 O ATOM 1311 CB ALA A 93 12.245 6.186 -0.192 1.00 0.00 C ATOM 0 H ALA A 93 14.061 5.999 2.214 1.00 0.00 H new ATOM 0 HA ALA A 93 14.315 6.268 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.960 6.850 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.141 5.150 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.596 6.366 0.665 1.00 0.00 H new ATOM 1317 N GLY A 94 14.203 8.744 -0.362 1.00 0.00 N ATOM 1318 CA GLY A 94 14.444 10.153 -0.105 1.00 0.00 C ATOM 1319 C GLY A 94 13.178 10.979 -0.343 1.00 0.00 C ATOM 1320 O GLY A 94 12.074 10.436 -0.366 1.00 0.00 O ATOM 0 H GLY A 94 14.264 8.473 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.781 10.286 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.244 10.513 -0.752 1.00 0.00 H new ATOM 1324 N THR A 95 13.380 12.277 -0.516 1.00 0.00 N ATOM 1325 CA THR A 95 12.268 13.182 -0.752 1.00 0.00 C ATOM 1326 C THR A 95 11.225 12.522 -1.656 1.00 0.00 C ATOM 1327 O THR A 95 10.218 12.007 -1.174 1.00 0.00 O ATOM 1328 CB THR A 95 12.832 14.484 -1.325 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.471 14.083 -2.534 1.00 0.00 O ATOM 1330 CG2 THR A 95 13.969 15.054 -0.474 1.00 0.00 C ATOM 0 H THR A 95 14.297 12.723 -0.497 1.00 0.00 H new ATOM 0 HA THR A 95 11.746 13.417 0.175 1.00 0.00 H new ATOM 0 HB THR A 95 12.033 15.221 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.863 14.867 -2.972 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.333 15.977 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.602 15.261 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.782 14.330 -0.422 1.00 0.00 H new ATOM 1338 N ALA A 96 11.503 12.559 -2.951 1.00 0.00 N ATOM 1339 CA ALA A 96 10.602 11.970 -3.926 1.00 0.00 C ATOM 1340 C ALA A 96 10.697 10.445 -3.848 1.00 0.00 C ATOM 1341 O ALA A 96 11.750 9.871 -4.120 1.00 0.00 O ATOM 1342 CB ALA A 96 10.938 12.505 -5.320 1.00 0.00 C ATOM 0 H ALA A 96 12.339 12.988 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 96 9.570 12.246 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.262 12.063 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.826 13.589 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.966 12.244 -5.572 1.00 0.00 H new ATOM 1348 N VAL A 97 9.583 9.833 -3.475 1.00 0.00 N ATOM 1349 CA VAL A 97 9.527 8.386 -3.358 1.00 0.00 C ATOM 1350 C VAL A 97 8.608 7.825 -4.444 1.00 0.00 C ATOM 1351 O VAL A 97 7.411 8.108 -4.456 1.00 0.00 O ATOM 1352 CB VAL A 97 9.093 7.992 -1.945 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.855 6.484 -1.845 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.117 8.455 -0.907 1.00 0.00 C ATOM 0 H VAL A 97 8.712 10.313 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 97 10.515 7.952 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 97 8.150 8.495 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.548 6.231 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.072 6.192 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.776 5.953 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.784 8.162 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.082 7.994 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.216 9.540 -0.952 1.00 0.00 H new ATOM 1364 N GLN A 98 9.203 7.040 -5.331 1.00 0.00 N ATOM 1365 CA GLN A 98 8.452 6.437 -6.419 1.00 0.00 C ATOM 1366 C GLN A 98 7.871 5.091 -5.981 1.00 0.00 C ATOM 1367 O GLN A 98 8.594 4.233 -5.478 1.00 0.00 O ATOM 1368 CB GLN A 98 9.325 6.278 -7.665 1.00 0.00 C ATOM 1369 CG GLN A 98 8.516 6.535 -8.938 1.00 0.00 C ATOM 1370 CD GLN A 98 9.282 6.069 -10.178 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.868 6.852 -10.908 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.246 4.754 -10.374 1.00 0.00 N ATOM 0 H GLN A 98 10.196 6.808 -5.318 1.00 0.00 H new ATOM 0 HA GLN A 98 7.626 7.100 -6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.164 6.972 -7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.745 5.272 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.561 6.012 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.292 7.598 -9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.737 4.155 -9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.728 4.344 -11.174 1.00 0.00 H new ATOM 1381 N MET A 99 6.570 4.949 -6.188 1.00 0.00 N ATOM 1382 CA MET A 99 5.883 3.722 -5.821 1.00 0.00 C ATOM 1383 C MET A 99 5.001 3.223 -6.967 1.00 0.00 C ATOM 1384 O MET A 99 4.074 3.914 -7.387 1.00 0.00 O ATOM 1385 CB MET A 99 5.020 3.971 -4.583 1.00 0.00 C ATOM 1386 CG MET A 99 5.889 4.252 -3.355 1.00 0.00 C ATOM 1387 SD MET A 99 5.159 3.506 -1.907 1.00 0.00 S ATOM 1388 CE MET A 99 4.911 4.960 -0.901 1.00 0.00 C ATOM 0 H MET A 99 5.973 5.663 -6.605 1.00 0.00 H new ATOM 0 HA MET A 99 6.631 2.959 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.355 4.816 -4.763 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.389 3.103 -4.395 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.893 3.856 -3.511 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.989 5.327 -3.209 1.00 0.00 H new ATOM 0 HE1 MET A 99 5.068 4.708 0.148 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.619 5.733 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.894 5.328 -1.038 1.00 0.00 H new ATOM 1398 N ARG A 100 5.321 2.028 -7.441 1.00 0.00 N ATOM 1399 CA ARG A 100 4.570 1.429 -8.530 1.00 0.00 C ATOM 1400 C ARG A 100 3.387 0.629 -7.981 1.00 0.00 C ATOM 1401 O ARG A 100 3.567 -0.464 -7.446 1.00 0.00 O ATOM 1402 CB ARG A 100 5.456 0.506 -9.368 1.00 0.00 C ATOM 1403 CG ARG A 100 5.022 0.514 -10.836 1.00 0.00 C ATOM 1404 CD ARG A 100 6.023 -0.248 -11.707 1.00 0.00 C ATOM 1405 NE ARG A 100 5.490 -1.590 -12.035 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.225 -2.584 -12.551 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.527 -2.395 -12.802 1.00 0.00 N ATOM 1408 NH2 ARG A 100 5.657 -3.768 -12.817 1.00 0.00 N ATOM 0 H ARG A 100 6.091 1.458 -7.090 1.00 0.00 H new ATOM 0 HA ARG A 100 4.204 2.236 -9.164 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.495 0.825 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.404 -0.509 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.035 0.062 -10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.936 1.542 -11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.218 0.309 -12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.974 -0.343 -11.184 1.00 0.00 H new ATOM 0 HE ARG A 100 4.502 -1.769 -11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.960 -1.494 -12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.086 -3.152 -13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.665 -3.912 -12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.216 -4.525 -13.210 1.00 0.00 H new ATOM 1422 N VAL A 101 2.203 1.204 -8.133 1.00 0.00 N ATOM 1423 CA VAL A 101 0.990 0.558 -7.660 1.00 0.00 C ATOM 1424 C VAL A 101 0.260 -0.077 -8.845 1.00 0.00 C ATOM 1425 O VAL A 101 0.405 0.372 -9.981 1.00 0.00 O ATOM 1426 CB VAL A 101 0.127 1.562 -6.894 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.862 2.087 -5.659 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.311 2.713 -7.801 1.00 0.00 C ATOM 0 H VAL A 101 2.058 2.111 -8.577 1.00 0.00 H new ATOM 0 HA VAL A 101 1.231 -0.242 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.769 1.043 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.226 2.799 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.101 1.255 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.783 2.582 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.923 3.412 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.569 3.230 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.891 2.318 -8.635 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.510 -1.111 -8.539 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.264 -1.812 -9.565 1.00 0.00 C ATOM 1440 C TRP A 102 -2.751 -1.545 -9.325 1.00 0.00 C ATOM 1441 O TRP A 102 -3.262 -1.793 -8.233 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.919 -3.303 -9.576 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.391 -4.041 -10.830 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.070 -3.788 -12.106 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.287 -5.171 -10.876 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.692 -4.668 -12.968 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.455 -5.536 -12.196 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.934 -5.863 -9.837 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.268 -6.603 -12.599 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.742 -6.926 -10.256 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.922 -7.306 -11.581 1.00 0.00 C ATOM 0 H TRP A 102 -0.628 -1.480 -7.596 1.00 0.00 H new ATOM 0 HA TRP A 102 -1.000 -1.444 -10.556 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.161 -3.416 -9.485 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.364 -3.775 -8.700 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.408 -2.995 -12.420 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.607 -4.679 -13.984 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.817 -5.595 -8.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.384 -6.869 -13.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.262 -7.491 -9.497 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.564 -8.140 -11.824 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.404 -1.041 -10.362 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.822 -0.737 -10.277 1.00 0.00 C ATOM 1464 C ARG A 103 -5.453 -0.757 -11.671 1.00 0.00 C ATOM 1465 O ARG A 103 -4.759 -0.594 -12.673 1.00 0.00 O ATOM 1466 CB ARG A 103 -5.054 0.634 -9.639 1.00 0.00 C ATOM 1467 CG ARG A 103 -5.535 0.492 -8.194 1.00 0.00 C ATOM 1468 CD ARG A 103 -5.156 1.722 -7.367 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.366 2.310 -6.750 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.129 1.681 -5.846 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -6.812 0.441 -5.448 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.209 2.291 -5.339 1.00 0.00 N ATOM 0 H ARG A 103 -2.977 -0.836 -11.265 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.288 -1.499 -9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.130 1.211 -9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.792 1.189 -10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.617 0.358 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.097 -0.400 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.442 1.443 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.666 2.460 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.636 3.253 -7.030 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.990 -0.024 -5.833 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.393 -0.038 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.451 3.235 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.789 1.812 -4.651 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.762 -0.960 -11.690 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.495 -1.004 -12.944 1.00 0.00 C ATOM 1488 C GLU A 104 -7.886 0.410 -13.380 1.00 0.00 C ATOM 1489 O GLU A 104 -8.223 1.249 -12.546 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.727 -1.903 -12.828 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.443 -2.029 -14.174 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.794 -1.310 -14.147 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.548 -1.557 -13.181 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.041 -0.531 -15.092 1.00 0.00 O ATOM 0 H GLU A 104 -7.334 -1.096 -10.857 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.845 -1.432 -13.707 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.429 -2.891 -12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.411 -1.494 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.819 -1.608 -14.962 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.592 -3.082 -14.413 1.00 0.00 H new