USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 603 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 15 GLN : amide:sc= -0.887 K(o=-0.89,f=-4.3!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.197 USER MOD Single : A 25 HIS : no HD1:sc= -1.34! K(o=-1.3!,f=-0.45) USER MOD Single : A 28 HIS : no HD1:sc= -2.75 K(o=-2.8,f=-4.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 148:sc= -0.0776 (180deg=-1.85!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 62 CYS SG : rot -97:sc= -1.34 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 74:sc= 0.105 USER MOD Single : A 71 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.1) USER MOD Single : A 78 HIS : no HE2:sc= -2.67 K(o=-2.7,f=-3.5!) USER MOD Single : A 81 ASN : amide:sc= -1! C(o=-1!,f=-1.7!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -14.796 -6.644 5.224 1.00 0.00 N ATOM 126 CA GLY A 11 -14.794 -7.967 4.629 1.00 0.00 C ATOM 127 C GLY A 11 -14.338 -9.039 5.599 1.00 0.00 C ATOM 128 O GLY A 11 -14.148 -8.771 6.785 1.00 0.00 O ATOM 0 HA2 GLY A 11 -15.797 -8.204 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.140 -7.969 3.757 1.00 0.00 H new ATOM 132 N GLU A 12 -14.163 -10.256 5.094 1.00 0.00 N ATOM 133 CA GLU A 12 -13.728 -11.372 5.927 1.00 0.00 C ATOM 134 C GLU A 12 -12.221 -11.584 5.809 1.00 0.00 C ATOM 135 O GLU A 12 -11.639 -11.399 4.740 1.00 0.00 O ATOM 136 CB GLU A 12 -14.467 -12.651 5.529 1.00 0.00 C ATOM 137 CG GLU A 12 -15.767 -12.864 6.286 1.00 0.00 C ATOM 138 CD GLU A 12 -15.559 -13.554 7.620 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.085 -12.888 8.564 1.00 0.00 O ATOM 140 OE2 GLU A 12 -15.871 -14.759 7.720 1.00 0.00 O ATOM 0 H GLU A 12 -14.315 -10.494 4.114 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.963 -11.132 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.680 -12.620 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.813 -13.506 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.249 -11.900 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.445 -13.459 5.675 1.00 0.00 H new ATOM 147 N LEU A 13 -11.597 -11.972 6.915 1.00 0.00 N ATOM 148 CA LEU A 13 -10.157 -12.209 6.938 1.00 0.00 C ATOM 149 C LEU A 13 -9.772 -13.313 5.958 1.00 0.00 C ATOM 150 O LEU A 13 -9.040 -13.075 4.998 1.00 0.00 O ATOM 151 CB LEU A 13 -9.704 -12.583 8.350 1.00 0.00 C ATOM 152 CG LEU A 13 -9.499 -11.419 9.320 1.00 0.00 C ATOM 153 CD1 LEU A 13 -9.652 -11.889 10.758 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.133 -10.783 9.107 1.00 0.00 C ATOM 0 H LEU A 13 -12.065 -12.129 7.808 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.657 -11.289 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.442 -13.261 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.768 -13.136 8.275 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.263 -10.667 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.503 -11.047 11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.652 -12.298 10.903 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.911 -12.660 10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.004 -9.956 9.806 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.355 -11.527 9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.061 -10.410 8.086 1.00 0.00 H new ATOM 166 N GLU A 14 -10.271 -14.519 6.208 1.00 0.00 N ATOM 167 CA GLU A 14 -9.979 -15.659 5.347 1.00 0.00 C ATOM 168 C GLU A 14 -10.341 -15.352 3.897 1.00 0.00 C ATOM 169 O GLU A 14 -9.903 -16.044 2.978 1.00 0.00 O ATOM 170 CB GLU A 14 -10.744 -16.896 5.824 1.00 0.00 C ATOM 171 CG GLU A 14 -10.162 -17.524 7.079 1.00 0.00 C ATOM 172 CD GLU A 14 -11.086 -18.556 7.697 1.00 0.00 C ATOM 173 OE1 GLU A 14 -11.353 -19.582 7.037 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.541 -18.338 8.839 1.00 0.00 O ATOM 0 H GLU A 14 -10.879 -14.732 6.999 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.909 -15.859 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.782 -16.621 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.751 -17.638 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.209 -17.994 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.956 -16.742 7.810 1.00 0.00 H new ATOM 181 N GLN A 15 -11.144 -14.311 3.701 1.00 0.00 N ATOM 182 CA GLN A 15 -11.566 -13.913 2.363 1.00 0.00 C ATOM 183 C GLN A 15 -10.534 -12.995 1.717 1.00 0.00 C ATOM 184 O GLN A 15 -10.413 -12.945 0.493 1.00 0.00 O ATOM 185 CB GLN A 15 -12.924 -13.212 2.422 1.00 0.00 C ATOM 186 CG GLN A 15 -14.096 -14.167 2.582 1.00 0.00 C ATOM 187 CD GLN A 15 -15.391 -13.600 2.033 1.00 0.00 C ATOM 188 OE1 GLN A 15 -15.972 -12.679 2.609 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.850 -14.147 0.914 1.00 0.00 N ATOM 0 H GLN A 15 -11.515 -13.728 4.451 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.655 -14.813 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.924 -12.508 3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.063 -12.630 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.869 -15.103 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.226 -14.403 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.336 -14.908 0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.717 -13.806 0.498 1.00 0.00 H new ATOM 198 N MET A 16 -9.792 -12.270 2.548 1.00 0.00 N ATOM 199 CA MET A 16 -8.769 -11.355 2.056 1.00 0.00 C ATOM 200 C MET A 16 -7.711 -12.102 1.251 1.00 0.00 C ATOM 201 O MET A 16 -7.585 -13.323 1.355 1.00 0.00 O ATOM 202 CB MET A 16 -8.111 -10.617 3.224 1.00 0.00 C ATOM 203 CG MET A 16 -9.059 -9.692 3.970 1.00 0.00 C ATOM 204 SD MET A 16 -8.196 -8.562 5.080 1.00 0.00 S ATOM 205 CE MET A 16 -9.556 -7.970 6.084 1.00 0.00 C ATOM 0 H MET A 16 -9.880 -12.298 3.564 1.00 0.00 H new ATOM 0 HA MET A 16 -9.251 -10.629 1.401 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.705 -11.348 3.923 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.270 -10.035 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.639 -9.115 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.767 -10.290 4.544 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.182 -7.260 6.821 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.291 -7.479 5.447 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.024 -8.811 6.596 1.00 0.00 H new ATOM 215 N VAL A 17 -6.953 -11.363 0.448 1.00 0.00 N ATOM 216 CA VAL A 17 -5.905 -11.956 -0.374 1.00 0.00 C ATOM 217 C VAL A 17 -4.627 -11.128 -0.318 1.00 0.00 C ATOM 218 O VAL A 17 -4.671 -9.897 -0.326 1.00 0.00 O ATOM 219 CB VAL A 17 -6.352 -12.091 -1.842 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.501 -13.081 -1.961 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.746 -10.734 -2.405 1.00 0.00 C ATOM 0 H VAL A 17 -7.045 -10.352 0.349 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.709 -12.949 0.032 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.514 -12.472 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.804 -13.163 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.179 -14.057 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.345 -12.733 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.059 -10.848 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.569 -10.323 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.893 -10.058 -2.356 1.00 0.00 H new ATOM 231 N SER A 18 -3.487 -11.810 -0.262 1.00 0.00 N ATOM 232 CA SER A 18 -2.195 -11.137 -0.201 1.00 0.00 C ATOM 233 C SER A 18 -1.576 -11.025 -1.591 1.00 0.00 C ATOM 234 O SER A 18 -1.315 -12.031 -2.248 1.00 0.00 O ATOM 235 CB SER A 18 -1.247 -11.891 0.733 1.00 0.00 C ATOM 236 OG SER A 18 0.103 -11.709 0.345 1.00 0.00 O ATOM 0 H SER A 18 -3.432 -12.829 -0.258 1.00 0.00 H new ATOM 0 HA SER A 18 -2.354 -10.132 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.385 -11.541 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.491 -12.953 0.724 1.00 0.00 H new ATOM 0 HG SER A 18 0.689 -12.200 0.959 1.00 0.00 H new ATOM 242 N GLU A 19 -1.343 -9.792 -2.030 1.00 0.00 N ATOM 243 CA GLU A 19 -0.755 -9.547 -3.342 1.00 0.00 C ATOM 244 C GLU A 19 0.616 -8.891 -3.210 1.00 0.00 C ATOM 245 O GLU A 19 0.941 -8.311 -2.174 1.00 0.00 O ATOM 246 CB GLU A 19 -1.678 -8.661 -4.182 1.00 0.00 C ATOM 247 CG GLU A 19 -2.690 -9.442 -5.003 1.00 0.00 C ATOM 248 CD GLU A 19 -2.123 -9.927 -6.323 1.00 0.00 C ATOM 249 OE1 GLU A 19 -2.133 -9.143 -7.295 1.00 0.00 O ATOM 250 OE2 GLU A 19 -1.668 -11.088 -6.383 1.00 0.00 O ATOM 0 H GLU A 19 -1.552 -8.948 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.632 -10.508 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.210 -7.976 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.072 -8.052 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.037 -10.298 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.559 -8.813 -5.195 1.00 0.00 H new ATOM 257 N ASP A 20 1.416 -8.988 -4.266 1.00 0.00 N ATOM 258 CA ASP A 20 2.752 -8.404 -4.269 1.00 0.00 C ATOM 259 C ASP A 20 2.815 -7.195 -5.198 1.00 0.00 C ATOM 260 O ASP A 20 2.615 -7.317 -6.406 1.00 0.00 O ATOM 261 CB ASP A 20 3.786 -9.446 -4.698 1.00 0.00 C ATOM 262 CG ASP A 20 3.339 -10.241 -5.909 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.258 -10.862 -5.844 1.00 0.00 O ATOM 264 OD2 ASP A 20 4.071 -10.243 -6.921 1.00 0.00 O ATOM 0 H ASP A 20 1.163 -9.466 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 20 2.979 -8.073 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.729 -8.947 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.976 -10.128 -3.869 1.00 0.00 H new ATOM 269 N VAL A 21 3.093 -6.029 -4.624 1.00 0.00 N ATOM 270 CA VAL A 21 3.182 -4.797 -5.400 1.00 0.00 C ATOM 271 C VAL A 21 4.614 -4.275 -5.440 1.00 0.00 C ATOM 272 O VAL A 21 5.222 -3.980 -4.411 1.00 0.00 O ATOM 273 CB VAL A 21 2.264 -3.703 -4.823 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.927 -2.672 -5.890 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.999 -4.319 -4.246 1.00 0.00 C ATOM 0 H VAL A 21 3.260 -5.911 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 21 2.857 -5.036 -6.413 1.00 0.00 H new ATOM 0 HB VAL A 21 2.794 -3.196 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.278 -1.907 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.845 -2.209 -6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.416 -3.161 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.362 -3.532 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.463 -4.853 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.264 -5.015 -3.450 1.00 0.00 H new ATOM 285 N PRO A 22 5.167 -4.158 -6.656 1.00 0.00 N ATOM 286 CA PRO A 22 6.534 -3.670 -6.861 1.00 0.00 C ATOM 287 C PRO A 22 6.672 -2.184 -6.547 1.00 0.00 C ATOM 288 O PRO A 22 6.282 -1.332 -7.346 1.00 0.00 O ATOM 289 CB PRO A 22 6.784 -3.928 -8.349 1.00 0.00 C ATOM 290 CG PRO A 22 5.429 -3.929 -8.966 1.00 0.00 C ATOM 291 CD PRO A 22 4.500 -4.492 -7.926 1.00 0.00 C ATOM 0 HA PRO A 22 7.247 -4.167 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.417 -3.154 -8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.291 -4.880 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.130 -2.921 -9.252 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.413 -4.535 -9.872 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.508 -4.045 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.372 -5.568 -8.042 1.00 0.00 H new ATOM 299 N LEU A 23 7.230 -1.880 -5.380 1.00 0.00 N ATOM 300 CA LEU A 23 7.420 -0.496 -4.961 1.00 0.00 C ATOM 301 C LEU A 23 8.902 -0.173 -4.804 1.00 0.00 C ATOM 302 O LEU A 23 9.616 -0.836 -4.051 1.00 0.00 O ATOM 303 CB LEU A 23 6.688 -0.236 -3.643 1.00 0.00 C ATOM 304 CG LEU A 23 6.525 1.231 -3.243 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.740 1.988 -4.303 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.840 1.341 -1.889 1.00 0.00 C ATOM 0 H LEU A 23 7.559 -2.573 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 23 7.006 0.151 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.698 -0.687 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.223 -0.752 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 23 7.515 1.679 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.634 3.030 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.270 1.937 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.753 1.540 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.732 2.392 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.855 0.877 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.441 0.833 -1.135 1.00 0.00 H new ATOM 318 N ASP A 24 9.358 0.850 -5.519 1.00 0.00 N ATOM 319 CA ASP A 24 10.756 1.263 -5.457 1.00 0.00 C ATOM 320 C ASP A 24 11.155 1.616 -4.028 1.00 0.00 C ATOM 321 O ASP A 24 10.516 2.446 -3.380 1.00 0.00 O ATOM 322 CB ASP A 24 10.997 2.460 -6.378 1.00 0.00 C ATOM 323 CG ASP A 24 12.466 2.663 -6.691 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.244 1.698 -6.538 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.837 3.786 -7.091 1.00 0.00 O ATOM 0 H ASP A 24 8.781 1.408 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 24 11.372 0.428 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.447 2.316 -7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.600 3.361 -5.910 1.00 0.00 H new ATOM 330 N HIS A 25 12.216 0.979 -3.541 1.00 0.00 N ATOM 331 CA HIS A 25 12.700 1.225 -2.187 1.00 0.00 C ATOM 332 C HIS A 25 13.055 2.697 -1.997 1.00 0.00 C ATOM 333 O HIS A 25 13.197 3.170 -0.869 1.00 0.00 O ATOM 334 CB HIS A 25 13.920 0.352 -1.893 1.00 0.00 C ATOM 335 CG HIS A 25 15.211 0.947 -2.367 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.894 0.481 -3.470 1.00 0.00 N ATOM 337 CD2 HIS A 25 15.942 1.977 -1.881 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.990 1.198 -3.642 1.00 0.00 C ATOM 339 NE2 HIS A 25 17.043 2.113 -2.691 1.00 0.00 N ATOM 0 H HIS A 25 12.756 0.289 -4.063 1.00 0.00 H new ATOM 0 HA HIS A 25 11.903 0.968 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.982 0.179 -0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.783 -0.621 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.704 2.580 -1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.719 1.060 -4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.781 2.807 -2.577 1.00 0.00 H new ATOM 347 N ARG A 26 13.198 3.415 -3.106 1.00 0.00 N ATOM 348 CA ARG A 26 13.538 4.831 -3.061 1.00 0.00 C ATOM 349 C ARG A 26 12.331 5.668 -2.646 1.00 0.00 C ATOM 350 O ARG A 26 12.474 6.813 -2.218 1.00 0.00 O ATOM 351 CB ARG A 26 14.051 5.298 -4.425 1.00 0.00 C ATOM 352 CG ARG A 26 15.291 4.557 -4.896 1.00 0.00 C ATOM 353 CD ARG A 26 16.072 5.370 -5.916 1.00 0.00 C ATOM 354 NE ARG A 26 15.568 5.174 -7.273 1.00 0.00 N ATOM 355 CZ ARG A 26 15.621 4.013 -7.917 1.00 0.00 C ATOM 356 NH1 ARG A 26 16.153 2.950 -7.330 1.00 0.00 N ATOM 357 NH2 ARG A 26 15.141 3.914 -9.150 1.00 0.00 N ATOM 0 H ARG A 26 13.083 3.039 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 26 14.325 4.966 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.260 5.171 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.272 6.364 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.929 4.334 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.001 3.602 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.015 6.427 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.124 5.088 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 26 15.152 5.973 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.523 3.022 -6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.193 2.060 -7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.731 4.730 -9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.182 3.022 -9.643 1.00 0.00 H new ATOM 371 N VAL A 27 11.142 5.087 -2.777 1.00 0.00 N ATOM 372 CA VAL A 27 9.910 5.778 -2.415 1.00 0.00 C ATOM 373 C VAL A 27 9.281 5.163 -1.170 1.00 0.00 C ATOM 374 O VAL A 27 8.463 5.793 -0.499 1.00 0.00 O ATOM 375 CB VAL A 27 8.888 5.741 -3.566 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.480 6.351 -4.827 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.424 4.315 -3.821 1.00 0.00 C ATOM 0 H VAL A 27 11.006 4.140 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 27 10.176 6.815 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 27 8.021 6.335 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.743 6.316 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.757 7.387 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.365 5.788 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.702 4.308 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.280 3.696 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.957 3.918 -2.920 1.00 0.00 H new ATOM 387 N HIS A 28 9.667 3.927 -0.867 1.00 0.00 N ATOM 388 CA HIS A 28 9.141 3.226 0.299 1.00 0.00 C ATOM 389 C HIS A 28 8.949 4.186 1.469 1.00 0.00 C ATOM 390 O HIS A 28 7.821 4.508 1.842 1.00 0.00 O ATOM 391 CB HIS A 28 10.081 2.091 0.704 1.00 0.00 C ATOM 392 CG HIS A 28 9.767 0.786 0.038 1.00 0.00 C ATOM 393 ND1 HIS A 28 9.850 -0.428 0.685 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.366 0.511 -1.225 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.516 -1.394 -0.152 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.217 -0.851 -1.318 1.00 0.00 N ATOM 0 H HIS A 28 10.342 3.391 -1.413 1.00 0.00 H new ATOM 0 HA HIS A 28 8.171 2.807 0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.105 2.375 0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.033 1.959 1.785 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.195 1.229 -2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.492 -2.449 0.078 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.923 -1.360 -2.152 1.00 0.00 H new ATOM 404 N ALA A 29 10.058 4.639 2.044 1.00 0.00 N ATOM 405 CA ALA A 29 10.011 5.563 3.171 1.00 0.00 C ATOM 406 C ALA A 29 9.108 6.754 2.868 1.00 0.00 C ATOM 407 O ALA A 29 8.274 7.137 3.689 1.00 0.00 O ATOM 408 CB ALA A 29 11.413 6.038 3.522 1.00 0.00 C ATOM 0 H ALA A 29 11.000 4.381 1.748 1.00 0.00 H new ATOM 0 HA ALA A 29 9.593 5.032 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.363 6.727 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.031 5.181 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.851 6.547 2.663 1.00 0.00 H new ATOM 414 N ARG A 30 9.279 7.335 1.685 1.00 0.00 N ATOM 415 CA ARG A 30 8.480 8.483 1.275 1.00 0.00 C ATOM 416 C ARG A 30 6.996 8.227 1.517 1.00 0.00 C ATOM 417 O ARG A 30 6.266 9.116 1.958 1.00 0.00 O ATOM 418 CB ARG A 30 8.720 8.797 -0.203 1.00 0.00 C ATOM 419 CG ARG A 30 10.183 9.017 -0.549 1.00 0.00 C ATOM 420 CD ARG A 30 10.703 10.323 0.032 1.00 0.00 C ATOM 421 NE ARG A 30 12.140 10.277 0.284 1.00 0.00 N ATOM 422 CZ ARG A 30 12.907 11.358 0.366 1.00 0.00 C ATOM 423 NH1 ARG A 30 12.377 12.564 0.216 1.00 0.00 N ATOM 424 NH2 ARG A 30 14.208 11.235 0.598 1.00 0.00 N ATOM 0 H ARG A 30 9.964 7.029 0.994 1.00 0.00 H new ATOM 0 HA ARG A 30 8.786 9.340 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.332 7.977 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.154 9.688 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.777 8.186 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.304 9.026 -1.632 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.482 11.139 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.179 10.540 0.963 1.00 0.00 H new ATOM 0 HE ARG A 30 12.579 9.364 0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.378 12.663 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.969 13.393 0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.620 10.309 0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.796 12.066 0.661 1.00 0.00 H new ATOM 438 N ILE A 31 6.556 7.007 1.226 1.00 0.00 N ATOM 439 CA ILE A 31 5.159 6.635 1.413 1.00 0.00 C ATOM 440 C ILE A 31 4.869 6.301 2.872 1.00 0.00 C ATOM 441 O ILE A 31 3.941 6.845 3.471 1.00 0.00 O ATOM 442 CB ILE A 31 4.777 5.427 0.536 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.938 5.773 -0.945 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.350 4.989 0.832 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.161 4.565 -1.827 1.00 0.00 C ATOM 0 H ILE A 31 7.146 6.260 0.860 1.00 0.00 H new ATOM 0 HA ILE A 31 4.560 7.496 1.114 1.00 0.00 H new ATOM 0 HB ILE A 31 5.447 4.600 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.048 6.302 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.779 6.457 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.094 4.135 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.266 4.707 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.666 5.811 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.267 4.886 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.068 4.048 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.310 3.890 -1.741 1.00 0.00 H new ATOM 457 N ILE A 32 5.671 5.406 3.439 1.00 0.00 N ATOM 458 CA ILE A 32 5.503 5.003 4.830 1.00 0.00 C ATOM 459 C ILE A 32 5.226 6.208 5.722 1.00 0.00 C ATOM 460 O ILE A 32 4.270 6.213 6.497 1.00 0.00 O ATOM 461 CB ILE A 32 6.747 4.264 5.356 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.889 2.904 4.669 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.663 4.094 6.866 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.265 2.294 4.813 1.00 0.00 C ATOM 0 H ILE A 32 6.443 4.946 2.957 1.00 0.00 H new ATOM 0 HA ILE A 32 4.649 4.327 4.862 1.00 0.00 H new ATOM 0 HB ILE A 32 7.630 4.860 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.151 2.218 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.659 3.016 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.550 3.570 7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.605 5.074 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.774 3.516 7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.292 1.332 4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.006 2.960 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.490 2.150 5.870 1.00 0.00 H new ATOM 476 N GLY A 33 6.068 7.230 5.605 1.00 0.00 N ATOM 477 CA GLY A 33 5.895 8.428 6.406 1.00 0.00 C ATOM 478 C GLY A 33 6.626 8.350 7.731 1.00 0.00 C ATOM 479 O GLY A 33 6.556 7.337 8.427 1.00 0.00 O ATOM 0 H GLY A 33 6.866 7.250 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.255 9.291 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.833 8.588 6.590 1.00 0.00 H new ATOM 483 N ALA A 34 7.330 9.421 8.082 1.00 0.00 N ATOM 484 CA ALA A 34 8.077 9.469 9.333 1.00 0.00 C ATOM 485 C ALA A 34 7.321 8.758 10.450 1.00 0.00 C ATOM 486 O ALA A 34 7.681 7.650 10.848 1.00 0.00 O ATOM 487 CB ALA A 34 8.363 10.912 9.721 1.00 0.00 C ATOM 0 H ALA A 34 7.399 10.268 7.517 1.00 0.00 H new ATOM 0 HA ALA A 34 9.024 8.950 9.183 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.921 10.933 10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.950 11.390 8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.422 11.448 9.847 1.00 0.00 H new ATOM 493 N ARG A 35 6.274 9.403 10.953 1.00 0.00 N ATOM 494 CA ARG A 35 5.469 8.833 12.027 1.00 0.00 C ATOM 495 C ARG A 35 4.731 7.586 11.549 1.00 0.00 C ATOM 496 O ARG A 35 4.196 6.823 12.353 1.00 0.00 O ATOM 497 CB ARG A 35 4.465 9.866 12.544 1.00 0.00 C ATOM 498 CG ARG A 35 3.300 10.109 11.599 1.00 0.00 C ATOM 499 CD ARG A 35 3.620 11.201 10.590 1.00 0.00 C ATOM 500 NE ARG A 35 4.147 12.402 11.231 1.00 0.00 N ATOM 501 CZ ARG A 35 4.837 13.336 10.587 1.00 0.00 C ATOM 502 NH1 ARG A 35 5.083 13.208 9.291 1.00 0.00 N ATOM 503 NH2 ARG A 35 5.284 14.402 11.241 1.00 0.00 N ATOM 0 H ARG A 35 5.963 10.321 10.634 1.00 0.00 H new ATOM 0 HA ARG A 35 6.139 8.550 12.839 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.077 9.533 13.507 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.984 10.809 12.718 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.058 9.186 11.073 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.417 10.390 12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.347 10.827 9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.719 11.454 10.032 1.00 0.00 H new ATOM 0 HE ARG A 35 3.976 12.531 12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.742 12.390 8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.613 13.927 8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.097 14.504 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.814 15.119 10.746 1.00 0.00 H new ATOM 517 N GLY A 36 4.705 7.386 10.235 1.00 0.00 N ATOM 518 CA GLY A 36 4.030 6.231 9.673 1.00 0.00 C ATOM 519 C GLY A 36 2.534 6.439 9.545 1.00 0.00 C ATOM 520 O GLY A 36 1.755 5.494 9.666 1.00 0.00 O ATOM 0 H GLY A 36 5.140 8.004 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.449 6.012 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.220 5.361 10.302 1.00 0.00 H new ATOM 524 N LYS A 37 2.130 7.681 9.301 1.00 0.00 N ATOM 525 CA LYS A 37 0.718 8.013 9.156 1.00 0.00 C ATOM 526 C LYS A 37 0.303 7.998 7.688 1.00 0.00 C ATOM 527 O LYS A 37 -0.839 7.676 7.360 1.00 0.00 O ATOM 528 CB LYS A 37 0.430 9.387 9.765 1.00 0.00 C ATOM 529 CG LYS A 37 0.097 9.338 11.246 1.00 0.00 C ATOM 530 CD LYS A 37 -0.208 10.722 11.795 1.00 0.00 C ATOM 531 CE LYS A 37 -1.663 11.103 11.568 1.00 0.00 C ATOM 532 NZ LYS A 37 -2.531 10.679 12.701 1.00 0.00 N ATOM 0 H LYS A 37 2.762 8.475 9.199 1.00 0.00 H new ATOM 0 HA LYS A 37 0.137 7.259 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.298 10.030 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.401 9.846 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.761 8.685 11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.934 8.904 11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.014 10.749 12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.440 11.456 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.739 12.182 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.019 10.643 10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.514 10.957 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.478 9.646 12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.207 11.137 13.577 1.00 0.00 H new ATOM 546 N ALA A 38 1.237 8.348 6.811 1.00 0.00 N ATOM 547 CA ALA A 38 0.969 8.371 5.378 1.00 0.00 C ATOM 548 C ALA A 38 0.505 7.006 4.884 1.00 0.00 C ATOM 549 O ALA A 38 -0.315 6.912 3.969 1.00 0.00 O ATOM 550 CB ALA A 38 2.208 8.817 4.616 1.00 0.00 C ATOM 0 H ALA A 38 2.186 8.620 7.067 1.00 0.00 H new ATOM 0 HA ALA A 38 0.167 9.086 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.993 8.829 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.494 9.818 4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.026 8.124 4.814 1.00 0.00 H new ATOM 556 N ILE A 39 1.033 5.950 5.494 1.00 0.00 N ATOM 557 CA ILE A 39 0.672 4.590 5.115 1.00 0.00 C ATOM 558 C ILE A 39 -0.620 4.154 5.798 1.00 0.00 C ATOM 559 O ILE A 39 -1.305 3.244 5.330 1.00 0.00 O ATOM 560 CB ILE A 39 1.789 3.591 5.470 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.443 2.196 4.944 1.00 0.00 C ATOM 562 CG2 ILE A 39 2.010 3.556 6.975 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.412 2.110 3.434 1.00 0.00 C ATOM 0 H ILE A 39 1.712 6.010 6.253 1.00 0.00 H new ATOM 0 HA ILE A 39 0.527 4.592 4.035 1.00 0.00 H new ATOM 0 HB ILE A 39 2.713 3.919 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.172 1.481 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.470 1.899 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.802 2.845 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.297 4.548 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.089 3.250 7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.160 1.093 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.663 2.800 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.391 2.375 3.034 1.00 0.00 H new ATOM 575 N ARG A 40 -0.948 4.810 6.906 1.00 0.00 N ATOM 576 CA ARG A 40 -2.158 4.491 7.653 1.00 0.00 C ATOM 577 C ARG A 40 -3.403 4.907 6.876 1.00 0.00 C ATOM 578 O ARG A 40 -4.340 4.125 6.716 1.00 0.00 O ATOM 579 CB ARG A 40 -2.140 5.185 9.016 1.00 0.00 C ATOM 580 CG ARG A 40 -3.224 4.697 9.963 1.00 0.00 C ATOM 581 CD ARG A 40 -2.781 3.460 10.728 1.00 0.00 C ATOM 582 NE ARG A 40 -1.755 3.769 11.721 1.00 0.00 N ATOM 583 CZ ARG A 40 -1.294 2.886 12.600 1.00 0.00 C ATOM 584 NH1 ARG A 40 -1.765 1.647 12.610 1.00 0.00 N ATOM 585 NH2 ARG A 40 -0.359 3.243 13.472 1.00 0.00 N ATOM 0 H ARG A 40 -0.392 5.566 7.306 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.188 3.412 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.166 5.029 9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.255 6.259 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.477 5.490 10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.128 4.472 9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.642 3.013 11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.396 2.719 10.027 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.372 4.714 11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.484 1.369 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.409 0.971 13.286 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.006 4.196 13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.005 2.565 14.147 1.00 0.00 H new ATOM 599 N LYS A 41 -3.406 6.145 6.393 1.00 0.00 N ATOM 600 CA LYS A 41 -4.535 6.667 5.631 1.00 0.00 C ATOM 601 C LYS A 41 -4.794 5.816 4.392 1.00 0.00 C ATOM 602 O LYS A 41 -5.942 5.505 4.071 1.00 0.00 O ATOM 603 CB LYS A 41 -4.272 8.118 5.221 1.00 0.00 C ATOM 604 CG LYS A 41 -3.071 8.283 4.306 1.00 0.00 C ATOM 605 CD LYS A 41 -2.902 9.727 3.864 1.00 0.00 C ATOM 606 CE LYS A 41 -1.900 9.848 2.726 1.00 0.00 C ATOM 607 NZ LYS A 41 -1.576 11.269 2.420 1.00 0.00 N ATOM 0 H LYS A 41 -2.639 6.806 6.516 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.420 6.630 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.157 8.511 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.120 8.718 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.170 7.952 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.189 7.645 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.865 10.126 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.570 10.331 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.986 9.316 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.303 9.368 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.890 11.308 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.444 11.771 2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.167 11.721 3.263 1.00 0.00 H new ATOM 621 N ILE A 42 -3.723 5.443 3.701 1.00 0.00 N ATOM 622 CA ILE A 42 -3.836 4.626 2.499 1.00 0.00 C ATOM 623 C ILE A 42 -4.524 3.298 2.800 1.00 0.00 C ATOM 624 O ILE A 42 -5.393 2.855 2.049 1.00 0.00 O ATOM 625 CB ILE A 42 -2.455 4.346 1.877 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.873 5.628 1.277 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.562 3.260 0.817 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.442 5.480 0.809 1.00 0.00 C ATOM 0 H ILE A 42 -2.767 5.693 3.953 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.438 5.192 1.788 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.783 3.996 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.492 5.939 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.923 6.423 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.578 3.073 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.939 2.344 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.246 3.584 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.095 6.427 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.189 5.199 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.388 4.708 0.042 1.00 0.00 H new ATOM 640 N MET A 43 -4.130 2.670 3.902 1.00 0.00 N ATOM 641 CA MET A 43 -4.711 1.394 4.304 1.00 0.00 C ATOM 642 C MET A 43 -6.198 1.546 4.607 1.00 0.00 C ATOM 643 O MET A 43 -7.032 0.839 4.041 1.00 0.00 O ATOM 644 CB MET A 43 -3.983 0.840 5.530 1.00 0.00 C ATOM 645 CG MET A 43 -2.684 0.126 5.193 1.00 0.00 C ATOM 646 SD MET A 43 -2.032 -0.821 6.582 1.00 0.00 S ATOM 647 CE MET A 43 -0.833 0.333 7.246 1.00 0.00 C ATOM 0 H MET A 43 -3.411 3.023 4.533 1.00 0.00 H new ATOM 0 HA MET A 43 -4.596 0.694 3.476 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.770 1.659 6.217 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.643 0.148 6.053 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.850 -0.543 4.348 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.942 0.859 4.878 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.764 0.205 8.326 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.141 0.145 6.795 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.146 1.353 7.021 1.00 0.00 H new ATOM 657 N ASP A 44 -6.523 2.472 5.503 1.00 0.00 N ATOM 658 CA ASP A 44 -7.910 2.716 5.881 1.00 0.00 C ATOM 659 C ASP A 44 -8.744 3.109 4.665 1.00 0.00 C ATOM 660 O ASP A 44 -9.900 2.708 4.538 1.00 0.00 O ATOM 661 CB ASP A 44 -7.986 3.815 6.942 1.00 0.00 C ATOM 662 CG ASP A 44 -7.291 3.423 8.232 1.00 0.00 C ATOM 663 OD1 ASP A 44 -7.751 2.463 8.885 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.288 4.075 8.587 1.00 0.00 O ATOM 0 H ASP A 44 -5.845 3.066 5.981 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.315 1.793 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.533 4.726 6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.031 4.043 7.151 1.00 0.00 H new ATOM 669 N GLU A 45 -8.148 3.896 3.774 1.00 0.00 N ATOM 670 CA GLU A 45 -8.837 4.344 2.570 1.00 0.00 C ATOM 671 C GLU A 45 -9.497 3.170 1.852 1.00 0.00 C ATOM 672 O GLU A 45 -10.706 3.169 1.620 1.00 0.00 O ATOM 673 CB GLU A 45 -7.858 5.047 1.627 1.00 0.00 C ATOM 674 CG GLU A 45 -8.472 5.440 0.294 1.00 0.00 C ATOM 675 CD GLU A 45 -7.821 6.669 -0.309 1.00 0.00 C ATOM 676 OE1 GLU A 45 -8.257 7.793 0.018 1.00 0.00 O ATOM 677 OE2 GLU A 45 -6.875 6.507 -1.107 1.00 0.00 O ATOM 0 H GLU A 45 -7.190 4.236 3.864 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.613 5.049 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.473 5.941 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.007 4.391 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.382 4.607 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.537 5.628 0.430 1.00 0.00 H new ATOM 684 N PHE A 46 -8.693 2.171 1.502 1.00 0.00 N ATOM 685 CA PHE A 46 -9.198 0.991 0.809 1.00 0.00 C ATOM 686 C PHE A 46 -9.424 -0.159 1.787 1.00 0.00 C ATOM 687 O PHE A 46 -9.778 -1.268 1.388 1.00 0.00 O ATOM 688 CB PHE A 46 -8.220 0.559 -0.286 1.00 0.00 C ATOM 689 CG PHE A 46 -7.799 1.682 -1.190 1.00 0.00 C ATOM 690 CD1 PHE A 46 -8.533 1.988 -2.325 1.00 0.00 C ATOM 691 CD2 PHE A 46 -6.670 2.433 -0.905 1.00 0.00 C ATOM 692 CE1 PHE A 46 -8.147 3.020 -3.159 1.00 0.00 C ATOM 693 CE2 PHE A 46 -6.280 3.467 -1.735 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.020 3.761 -2.863 1.00 0.00 C ATOM 0 H PHE A 46 -7.690 2.155 1.687 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.153 1.250 0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.334 0.126 0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.681 -0.226 -0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.417 1.413 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.088 2.208 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.726 3.247 -4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.398 4.044 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.718 4.569 -3.513 1.00 0.00 H new ATOM 704 N LYS A 47 -9.214 0.114 3.070 1.00 0.00 N ATOM 705 CA LYS A 47 -9.395 -0.895 4.107 1.00 0.00 C ATOM 706 C LYS A 47 -8.493 -2.100 3.857 1.00 0.00 C ATOM 707 O LYS A 47 -8.915 -3.246 4.009 1.00 0.00 O ATOM 708 CB LYS A 47 -10.858 -1.342 4.163 1.00 0.00 C ATOM 709 CG LYS A 47 -11.830 -0.209 4.442 1.00 0.00 C ATOM 710 CD LYS A 47 -11.787 0.215 5.901 1.00 0.00 C ATOM 711 CE LYS A 47 -12.710 1.395 6.165 1.00 0.00 C ATOM 712 NZ LYS A 47 -14.093 0.953 6.498 1.00 0.00 N ATOM 0 H LYS A 47 -8.918 1.026 3.417 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.121 -0.450 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.122 -1.811 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.968 -2.102 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.589 0.643 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.841 -0.523 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.077 -0.624 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.766 0.482 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.312 1.991 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.736 2.039 5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.691 1.786 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.483 0.405 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.072 0.359 7.351 1.00 0.00 H new ATOM 726 N VAL A 48 -7.249 -1.832 3.473 1.00 0.00 N ATOM 727 CA VAL A 48 -6.287 -2.894 3.204 1.00 0.00 C ATOM 728 C VAL A 48 -5.118 -2.837 4.180 1.00 0.00 C ATOM 729 O VAL A 48 -4.918 -1.834 4.867 1.00 0.00 O ATOM 730 CB VAL A 48 -5.745 -2.809 1.765 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.869 -3.000 0.758 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.036 -1.482 1.540 1.00 0.00 C ATOM 0 H VAL A 48 -6.884 -0.889 3.341 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.816 -3.839 3.330 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.021 -3.611 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.466 -2.937 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.327 -3.978 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.620 -2.222 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.659 -1.439 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.736 -0.663 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.203 -1.392 2.238 1.00 0.00 H new ATOM 742 N ASP A 49 -4.348 -3.918 4.237 1.00 0.00 N ATOM 743 CA ASP A 49 -3.196 -3.990 5.129 1.00 0.00 C ATOM 744 C ASP A 49 -1.900 -4.104 4.333 1.00 0.00 C ATOM 745 O ASP A 49 -1.511 -5.196 3.915 1.00 0.00 O ATOM 746 CB ASP A 49 -3.333 -5.181 6.078 1.00 0.00 C ATOM 747 CG ASP A 49 -2.452 -5.049 7.305 1.00 0.00 C ATOM 748 OD1 ASP A 49 -1.350 -4.476 7.184 1.00 0.00 O ATOM 749 OD2 ASP A 49 -2.865 -5.518 8.386 1.00 0.00 O ATOM 0 H ASP A 49 -4.500 -4.756 3.676 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.162 -3.071 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.373 -5.275 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.075 -6.097 5.546 1.00 0.00 H new ATOM 754 N ILE A 50 -1.236 -2.972 4.128 1.00 0.00 N ATOM 755 CA ILE A 50 0.017 -2.946 3.382 1.00 0.00 C ATOM 756 C ILE A 50 1.188 -3.370 4.261 1.00 0.00 C ATOM 757 O ILE A 50 1.487 -2.728 5.268 1.00 0.00 O ATOM 758 CB ILE A 50 0.301 -1.545 2.809 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.828 -1.116 1.869 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.637 -1.532 2.081 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.762 0.342 1.471 1.00 0.00 C ATOM 0 H ILE A 50 -1.544 -2.061 4.468 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.091 -3.652 2.558 1.00 0.00 H new ATOM 0 HB ILE A 50 0.351 -0.834 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.795 -1.731 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.786 -1.309 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.824 -0.535 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.433 -1.799 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.613 -2.252 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.592 0.575 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.826 0.966 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.180 0.537 0.959 1.00 0.00 H new ATOM 773 N ARG A 51 1.849 -4.456 3.873 1.00 0.00 N ATOM 774 CA ARG A 51 2.989 -4.966 4.625 1.00 0.00 C ATOM 775 C ARG A 51 4.292 -4.725 3.868 1.00 0.00 C ATOM 776 O ARG A 51 4.515 -5.293 2.799 1.00 0.00 O ATOM 777 CB ARG A 51 2.817 -6.461 4.901 1.00 0.00 C ATOM 778 CG ARG A 51 3.488 -6.924 6.184 1.00 0.00 C ATOM 779 CD ARG A 51 5.003 -6.893 6.063 1.00 0.00 C ATOM 780 NE ARG A 51 5.659 -7.461 7.238 1.00 0.00 N ATOM 781 CZ ARG A 51 5.758 -6.829 8.401 1.00 0.00 C ATOM 782 NH1 ARG A 51 5.247 -5.614 8.545 1.00 0.00 N ATOM 783 NH2 ARG A 51 6.369 -7.412 9.425 1.00 0.00 N ATOM 0 H ARG A 51 1.614 -4.999 3.042 1.00 0.00 H new ATOM 0 HA ARG A 51 3.035 -4.431 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.753 -6.692 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.225 -7.026 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.175 -6.286 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.162 -7.936 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.307 -7.447 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.334 -5.864 5.925 1.00 0.00 H new ATOM 0 HE ARG A 51 6.063 -8.394 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.776 -5.163 7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.325 -5.131 9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.763 -8.347 9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.444 -6.925 10.318 1.00 0.00 H new ATOM 797 N PHE A 52 5.149 -3.879 4.430 1.00 0.00 N ATOM 798 CA PHE A 52 6.429 -3.561 3.808 1.00 0.00 C ATOM 799 C PHE A 52 7.468 -4.632 4.125 1.00 0.00 C ATOM 800 O PHE A 52 7.394 -5.324 5.140 1.00 0.00 O ATOM 801 CB PHE A 52 6.926 -2.194 4.284 1.00 0.00 C ATOM 802 CG PHE A 52 6.283 -1.040 3.570 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.087 -0.507 4.022 1.00 0.00 C ATOM 804 CD2 PHE A 52 6.875 -0.488 2.445 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.493 0.555 3.366 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.286 0.574 1.785 1.00 0.00 C ATOM 807 CZ PHE A 52 5.094 1.097 2.247 1.00 0.00 C ATOM 0 H PHE A 52 4.980 -3.401 5.315 1.00 0.00 H new ATOM 0 HA PHE A 52 6.283 -3.530 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.737 -2.100 5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.006 -2.141 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.613 -0.926 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.807 -0.892 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.560 0.960 3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.757 0.994 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.633 1.928 1.734 1.00 0.00 H new ATOM 817 N PRO A 53 8.462 -4.772 3.235 1.00 0.00 N ATOM 818 CA PRO A 53 9.536 -5.757 3.397 1.00 0.00 C ATOM 819 C PRO A 53 10.479 -5.402 4.542 1.00 0.00 C ATOM 820 O PRO A 53 11.185 -4.395 4.486 1.00 0.00 O ATOM 821 CB PRO A 53 10.275 -5.699 2.058 1.00 0.00 C ATOM 822 CG PRO A 53 9.997 -4.334 1.530 1.00 0.00 C ATOM 823 CD PRO A 53 8.614 -3.981 2.003 1.00 0.00 C ATOM 0 HA PRO A 53 9.149 -6.746 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.345 -5.862 2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.916 -6.468 1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.730 -3.616 1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.053 -4.318 0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.516 -2.913 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.858 -4.241 1.263 1.00 0.00 H new ATOM 831 N GLN A 54 10.486 -6.235 5.577 1.00 0.00 N ATOM 832 CA GLN A 54 11.343 -6.008 6.735 1.00 0.00 C ATOM 833 C GLN A 54 12.810 -5.949 6.323 1.00 0.00 C ATOM 834 O GLN A 54 13.144 -6.128 5.151 1.00 0.00 O ATOM 835 CB GLN A 54 11.137 -7.113 7.773 1.00 0.00 C ATOM 836 CG GLN A 54 11.356 -8.513 7.223 1.00 0.00 C ATOM 837 CD GLN A 54 11.665 -9.525 8.308 1.00 0.00 C ATOM 838 OE1 GLN A 54 12.792 -9.602 8.798 1.00 0.00 O ATOM 839 NE2 GLN A 54 10.663 -10.308 8.691 1.00 0.00 N ATOM 0 H GLN A 54 9.908 -7.073 5.638 1.00 0.00 H new ATOM 0 HA GLN A 54 11.069 -5.049 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.819 -6.948 8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.125 -7.042 8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.465 -8.829 6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.177 -8.493 6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.745 -10.210 8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.812 -11.007 9.418 1.00 0.00 H new ATOM 848 N SER A 55 13.682 -5.695 7.293 1.00 0.00 N ATOM 849 CA SER A 55 15.114 -5.608 7.030 1.00 0.00 C ATOM 850 C SER A 55 15.618 -6.871 6.339 1.00 0.00 C ATOM 851 O SER A 55 16.217 -6.809 5.266 1.00 0.00 O ATOM 852 CB SER A 55 15.881 -5.387 8.335 1.00 0.00 C ATOM 853 OG SER A 55 17.204 -4.948 8.081 1.00 0.00 O ATOM 0 H SER A 55 13.422 -5.546 8.268 1.00 0.00 H new ATOM 0 HA SER A 55 15.285 -4.760 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.361 -4.649 8.946 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.906 -6.314 8.907 1.00 0.00 H new ATOM 0 HG SER A 55 17.673 -4.812 8.931 1.00 0.00 H new ATOM 859 N GLY A 56 15.369 -8.019 6.962 1.00 0.00 N ATOM 860 CA GLY A 56 15.803 -9.282 6.394 1.00 0.00 C ATOM 861 C GLY A 56 14.823 -9.826 5.373 1.00 0.00 C ATOM 862 O GLY A 56 14.812 -11.023 5.090 1.00 0.00 O ATOM 0 H GLY A 56 14.874 -8.097 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.777 -9.149 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.932 -10.011 7.194 1.00 0.00 H new ATOM 866 N ALA A 57 13.997 -8.944 4.820 1.00 0.00 N ATOM 867 CA ALA A 57 13.010 -9.342 3.824 1.00 0.00 C ATOM 868 C ALA A 57 13.683 -9.792 2.532 1.00 0.00 C ATOM 869 O ALA A 57 14.737 -9.288 2.145 1.00 0.00 O ATOM 870 CB ALA A 57 12.046 -8.197 3.549 1.00 0.00 C ATOM 0 H ALA A 57 13.992 -7.949 5.045 1.00 0.00 H new ATOM 0 HA ALA A 57 12.449 -10.187 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.314 -8.508 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.531 -7.925 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.601 -7.336 3.176 1.00 0.00 H new ATOM 876 N PRO A 58 13.062 -10.764 1.848 1.00 0.00 N ATOM 877 CA PRO A 58 13.584 -11.304 0.589 1.00 0.00 C ATOM 878 C PRO A 58 13.487 -10.301 -0.556 1.00 0.00 C ATOM 879 O PRO A 58 14.321 -10.295 -1.461 1.00 0.00 O ATOM 880 CB PRO A 58 12.683 -12.512 0.320 1.00 0.00 C ATOM 881 CG PRO A 58 11.412 -12.202 1.032 1.00 0.00 C ATOM 882 CD PRO A 58 11.802 -11.412 2.250 1.00 0.00 C ATOM 0 HA PRO A 58 14.643 -11.553 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.515 -12.651 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.132 -13.432 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.738 -11.630 0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.888 -13.116 1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.040 -10.679 2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.941 -12.055 3.119 1.00 0.00 H new ATOM 890 N ASP A 59 12.463 -9.455 -0.510 1.00 0.00 N ATOM 891 CA ASP A 59 12.258 -8.446 -1.543 1.00 0.00 C ATOM 892 C ASP A 59 12.015 -7.074 -0.922 1.00 0.00 C ATOM 893 O ASP A 59 10.881 -6.683 -0.644 1.00 0.00 O ATOM 894 CB ASP A 59 11.077 -8.832 -2.435 1.00 0.00 C ATOM 895 CG ASP A 59 11.254 -10.197 -3.070 1.00 0.00 C ATOM 896 OD1 ASP A 59 10.905 -11.205 -2.420 1.00 0.00 O ATOM 897 OD2 ASP A 59 11.740 -10.258 -4.219 1.00 0.00 O ATOM 0 H ASP A 59 11.762 -9.448 0.231 1.00 0.00 H new ATOM 0 HA ASP A 59 13.161 -8.395 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.161 -8.825 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.956 -8.083 -3.218 1.00 0.00 H new ATOM 902 N PRO A 60 13.105 -6.325 -0.697 1.00 0.00 N ATOM 903 CA PRO A 60 13.036 -4.985 -0.106 1.00 0.00 C ATOM 904 C PRO A 60 12.409 -3.966 -1.051 1.00 0.00 C ATOM 905 O PRO A 60 12.250 -2.797 -0.702 1.00 0.00 O ATOM 906 CB PRO A 60 14.503 -4.638 0.158 1.00 0.00 C ATOM 907 CG PRO A 60 15.268 -5.454 -0.825 1.00 0.00 C ATOM 908 CD PRO A 60 14.487 -6.727 -1.003 1.00 0.00 C ATOM 0 HA PRO A 60 12.412 -4.965 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.689 -3.573 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.789 -4.880 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.374 -4.925 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.274 -5.661 -0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.577 -7.115 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.836 -7.510 -0.330 1.00 0.00 H new ATOM 916 N ASN A 61 12.055 -4.417 -2.250 1.00 0.00 N ATOM 917 CA ASN A 61 11.446 -3.543 -3.246 1.00 0.00 C ATOM 918 C ASN A 61 10.013 -3.974 -3.544 1.00 0.00 C ATOM 919 O ASN A 61 9.390 -3.486 -4.488 1.00 0.00 O ATOM 920 CB ASN A 61 12.271 -3.551 -4.535 1.00 0.00 C ATOM 921 CG ASN A 61 12.949 -4.885 -4.779 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.326 -5.832 -5.261 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.232 -4.966 -4.447 1.00 0.00 N ATOM 0 H ASN A 61 12.179 -5.382 -2.555 1.00 0.00 H new ATOM 0 HA ASN A 61 11.426 -2.531 -2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.623 -3.316 -5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.026 -2.767 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.741 -5.838 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.708 -4.156 -4.051 1.00 0.00 H new ATOM 930 N CYS A 62 9.496 -4.890 -2.733 1.00 0.00 N ATOM 931 CA CYS A 62 8.136 -5.387 -2.909 1.00 0.00 C ATOM 932 C CYS A 62 7.347 -5.285 -1.608 1.00 0.00 C ATOM 933 O CYS A 62 7.870 -5.563 -0.529 1.00 0.00 O ATOM 934 CB CYS A 62 8.160 -6.838 -3.392 1.00 0.00 C ATOM 935 SG CYS A 62 6.663 -7.349 -4.268 1.00 0.00 S ATOM 0 H CYS A 62 9.998 -5.304 -1.947 1.00 0.00 H new ATOM 0 HA CYS A 62 7.644 -4.769 -3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.018 -6.977 -4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.307 -7.493 -2.533 1.00 0.00 H new ATOM 0 HG CYS A 62 5.869 -7.968 -3.446 1.00 0.00 H new ATOM 941 N VAL A 63 6.085 -4.882 -1.717 1.00 0.00 N ATOM 942 CA VAL A 63 5.223 -4.741 -0.550 1.00 0.00 C ATOM 943 C VAL A 63 4.055 -5.719 -0.608 1.00 0.00 C ATOM 944 O VAL A 63 3.363 -5.818 -1.622 1.00 0.00 O ATOM 945 CB VAL A 63 4.673 -3.308 -0.427 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.812 -2.304 -0.345 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.754 -2.989 -1.597 1.00 0.00 C ATOM 0 H VAL A 63 5.637 -4.647 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 63 5.836 -4.963 0.324 1.00 0.00 H new ATOM 0 HB VAL A 63 4.092 -3.238 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.404 -1.297 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.427 -2.522 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.422 -2.372 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.374 -1.973 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.310 -3.076 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.919 -3.689 -1.605 1.00 0.00 H new ATOM 957 N THR A 64 3.839 -6.442 0.487 1.00 0.00 N ATOM 958 CA THR A 64 2.755 -7.413 0.560 1.00 0.00 C ATOM 959 C THR A 64 1.476 -6.770 1.085 1.00 0.00 C ATOM 960 O THR A 64 1.335 -6.532 2.284 1.00 0.00 O ATOM 961 CB THR A 64 3.127 -8.602 1.466 1.00 0.00 C ATOM 962 OG1 THR A 64 4.340 -9.207 1.006 1.00 0.00 O ATOM 963 CG2 THR A 64 2.012 -9.638 1.483 1.00 0.00 C ATOM 0 H THR A 64 4.401 -6.373 1.335 1.00 0.00 H new ATOM 0 HA THR A 64 2.587 -7.776 -0.454 1.00 0.00 H new ATOM 0 HB THR A 64 3.270 -8.228 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.571 -9.961 1.588 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.297 -10.468 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.097 -9.182 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.843 -10.007 0.471 1.00 0.00 H new ATOM 971 N VAL A 65 0.544 -6.491 0.178 1.00 0.00 N ATOM 972 CA VAL A 65 -0.725 -5.878 0.550 1.00 0.00 C ATOM 973 C VAL A 65 -1.800 -6.934 0.779 1.00 0.00 C ATOM 974 O VAL A 65 -1.981 -7.839 -0.036 1.00 0.00 O ATOM 975 CB VAL A 65 -1.210 -4.893 -0.530 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.548 -4.285 -0.137 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.171 -3.808 -0.767 1.00 0.00 C ATOM 0 H VAL A 65 0.645 -6.680 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.553 -5.333 1.478 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.347 -5.442 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.874 -3.592 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.288 -5.077 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.441 -3.750 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.531 -3.121 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.001 -3.260 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.762 -4.264 -1.098 1.00 0.00 H new ATOM 987 N THR A 66 -2.513 -6.813 1.894 1.00 0.00 N ATOM 988 CA THR A 66 -3.571 -7.757 2.232 1.00 0.00 C ATOM 989 C THR A 66 -4.948 -7.133 2.038 1.00 0.00 C ATOM 990 O THR A 66 -5.090 -5.911 2.020 1.00 0.00 O ATOM 991 CB THR A 66 -3.443 -8.247 3.687 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.063 -8.297 4.067 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.069 -9.624 3.850 1.00 0.00 C ATOM 0 H THR A 66 -2.377 -6.070 2.579 1.00 0.00 H new ATOM 0 HA THR A 66 -3.462 -8.607 1.559 1.00 0.00 H new ATOM 0 HB THR A 66 -3.972 -7.545 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.728 -7.386 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.967 -9.950 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.126 -9.577 3.587 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.563 -10.333 3.195 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.962 -7.981 1.892 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.315 -7.493 1.702 1.00 0.00 C ATOM 1003 C GLY A 67 -7.969 -8.066 0.460 1.00 0.00 C ATOM 1004 O GLY A 67 -7.293 -8.626 -0.405 1.00 0.00 O ATOM 0 H GLY A 67 -5.870 -8.997 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.916 -7.747 2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.299 -6.405 1.632 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.287 -7.928 0.370 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.033 -8.438 -0.776 1.00 0.00 C ATOM 1010 C LEU A 68 -9.364 -8.032 -2.085 1.00 0.00 C ATOM 1011 O LEU A 68 -8.677 -7.015 -2.171 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.472 -7.921 -0.743 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.398 -8.577 0.283 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.366 -10.091 0.140 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.006 -8.165 1.694 1.00 0.00 C ATOM 0 H LEU A 68 -9.861 -7.468 1.076 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.043 -9.526 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.447 -6.849 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.908 -8.054 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.416 -8.236 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.031 -10.540 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.695 -10.369 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.350 -10.450 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.675 -8.641 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.981 -8.477 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.081 -7.082 1.791 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.571 -8.845 -3.132 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.000 -8.589 -4.458 1.00 0.00 C ATOM 1029 C PRO A 69 -9.637 -7.385 -5.142 1.00 0.00 C ATOM 1030 O PRO A 69 -9.079 -6.830 -6.087 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.313 -9.872 -5.232 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.513 -10.439 -4.556 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.380 -10.075 -3.103 1.00 0.00 C ATOM 0 HA PRO A 69 -7.937 -8.355 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.513 -9.662 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.475 -10.568 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.430 -10.028 -4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.559 -11.520 -4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.352 -9.906 -2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.890 -10.865 -2.534 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.809 -6.985 -4.656 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.521 -5.846 -5.222 1.00 0.00 C ATOM 1043 C GLU A 70 -10.978 -4.533 -4.665 1.00 0.00 C ATOM 1044 O GLU A 70 -10.991 -3.507 -5.342 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.019 -5.956 -4.930 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.355 -5.902 -3.449 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.839 -5.717 -3.195 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.410 -4.733 -3.708 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.428 -6.556 -2.482 1.00 0.00 O ATOM 0 H GLU A 70 -11.284 -7.433 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.367 -5.854 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.541 -5.148 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.394 -6.891 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.020 -6.822 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.806 -5.083 -2.985 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.502 -4.576 -3.425 1.00 0.00 N ATOM 1057 CA ASN A 71 -9.955 -3.390 -2.775 1.00 0.00 C ATOM 1058 C ASN A 71 -8.456 -3.270 -3.035 1.00 0.00 C ATOM 1059 O ASN A 71 -7.953 -2.187 -3.335 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.221 -3.441 -1.269 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.686 -3.241 -0.933 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.411 -2.555 -1.653 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.128 -3.842 0.166 1.00 0.00 N ATOM 0 H ASN A 71 -10.484 -5.418 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.450 -2.514 -3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.889 -4.402 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.629 -2.672 -0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.105 -3.744 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.491 -4.401 0.733 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.749 -4.389 -2.918 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.308 -4.410 -3.141 1.00 0.00 C ATOM 1072 C VAL A 72 -5.946 -3.722 -4.453 1.00 0.00 C ATOM 1073 O VAL A 72 -5.048 -2.882 -4.496 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.765 -5.851 -3.162 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.367 -5.885 -3.763 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.766 -6.441 -1.760 1.00 0.00 C ATOM 0 H VAL A 72 -8.150 -5.293 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.850 -3.870 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.419 -6.459 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.999 -6.911 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.400 -5.505 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.699 -5.264 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.379 -7.460 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.135 -5.835 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.784 -6.452 -1.371 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.652 -4.085 -5.519 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.403 -3.502 -6.833 1.00 0.00 C ATOM 1088 C GLU A 73 -6.431 -1.978 -6.766 1.00 0.00 C ATOM 1089 O GLU A 73 -5.540 -1.307 -7.285 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.442 -3.998 -7.840 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.842 -3.468 -7.582 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.910 -4.260 -8.313 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -10.007 -5.482 -8.079 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.648 -3.655 -9.118 1.00 0.00 O ATOM 0 H GLU A 73 -7.400 -4.779 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.412 -3.816 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.131 -3.706 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.465 -5.088 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.045 -3.494 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.894 -2.424 -7.891 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.462 -1.438 -6.123 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.607 0.007 -5.990 1.00 0.00 C ATOM 1103 C GLU A 74 -6.427 0.604 -5.230 1.00 0.00 C ATOM 1104 O GLU A 74 -5.890 1.643 -5.613 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.915 0.346 -5.271 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.152 0.140 -6.130 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.531 1.381 -6.914 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.809 1.720 -7.875 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -11.550 2.014 -6.567 1.00 0.00 O ATOM 0 H GLU A 74 -8.208 -1.979 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.628 0.438 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.998 -0.270 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.880 1.384 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.976 -0.683 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.987 -0.152 -5.494 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.029 -0.061 -4.150 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.912 0.403 -3.336 1.00 0.00 C ATOM 1118 C ALA A 75 -3.638 0.517 -4.167 1.00 0.00 C ATOM 1119 O ALA A 75 -2.984 1.561 -4.176 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.693 -0.534 -2.158 1.00 0.00 C ATOM 0 H ALA A 75 -6.463 -0.922 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.158 1.395 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.856 -0.176 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.593 -0.563 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.473 -1.536 -2.526 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.292 -0.561 -4.862 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.096 -0.580 -5.696 1.00 0.00 C ATOM 1128 C ILE A 76 -1.996 0.685 -6.542 1.00 0.00 C ATOM 1129 O ILE A 76 -1.008 1.416 -6.469 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.077 -1.808 -6.625 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.001 -3.096 -5.802 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.907 -1.722 -7.594 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -1.920 -4.348 -6.646 1.00 0.00 C ATOM 0 H ILE A 76 -3.822 -1.432 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.241 -0.632 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.001 -1.822 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.129 -3.050 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.878 -3.158 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.908 -2.597 -8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.002 -0.821 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.027 -1.686 -7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.869 -5.222 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.804 -4.418 -7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.028 -4.308 -7.271 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.024 0.937 -7.344 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.054 2.115 -8.203 1.00 0.00 C ATOM 1147 C ASP A 77 -2.555 3.346 -7.453 1.00 0.00 C ATOM 1148 O ASP A 77 -1.729 4.105 -7.963 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.472 2.359 -8.721 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.512 3.385 -9.837 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.635 3.331 -10.725 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.420 4.241 -9.822 1.00 0.00 O ATOM 0 H ASP A 77 -3.848 0.341 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.392 1.934 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.891 1.419 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.103 2.696 -7.899 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.061 3.540 -6.239 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.667 4.680 -5.419 1.00 0.00 C ATOM 1159 C HIS A 78 -1.186 4.605 -5.060 1.00 0.00 C ATOM 1160 O HIS A 78 -0.489 5.620 -5.045 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.510 4.734 -4.145 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.154 5.873 -3.239 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.048 6.860 -2.884 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -1.992 6.176 -2.614 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.452 7.723 -2.081 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.204 7.331 -1.900 1.00 0.00 N ATOM 0 H HIS A 78 -3.745 2.922 -5.802 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.837 5.588 -5.997 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.562 4.813 -4.418 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.392 3.797 -3.601 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.018 6.915 -3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.071 5.615 -2.667 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.908 8.600 -1.646 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.712 3.397 -4.772 1.00 0.00 N ATOM 1175 CA ILE A 79 0.685 3.190 -4.414 1.00 0.00 C ATOM 1176 C ILE A 79 1.612 3.610 -5.550 1.00 0.00 C ATOM 1177 O ILE A 79 2.475 4.471 -5.376 1.00 0.00 O ATOM 1178 CB ILE A 79 0.963 1.718 -4.057 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.148 1.305 -2.829 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.449 1.504 -3.810 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.205 -0.178 -2.537 1.00 0.00 C ATOM 0 H ILE A 79 -1.276 2.547 -4.780 1.00 0.00 H new ATOM 0 HA ILE A 79 0.882 3.810 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 79 0.661 1.093 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.513 1.852 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.891 1.598 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.629 0.459 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.008 1.763 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.776 2.137 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.395 -0.398 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.187 -0.732 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.238 -0.474 -2.357 1.00 0.00 H new ATOM 1193 N LEU A 80 1.426 2.997 -6.714 1.00 0.00 N ATOM 1194 CA LEU A 80 2.244 3.308 -7.881 1.00 0.00 C ATOM 1195 C LEU A 80 2.200 4.800 -8.195 1.00 0.00 C ATOM 1196 O LEU A 80 3.178 5.372 -8.676 1.00 0.00 O ATOM 1197 CB LEU A 80 1.765 2.506 -9.093 1.00 0.00 C ATOM 1198 CG LEU A 80 2.303 1.079 -9.208 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.430 0.255 -10.142 1.00 0.00 C ATOM 1200 CD2 LEU A 80 3.745 1.090 -9.693 1.00 0.00 C ATOM 0 H LEU A 80 0.716 2.282 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 80 3.274 3.033 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.676 2.462 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.040 3.051 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 80 2.278 0.620 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.827 -0.758 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.413 0.220 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.424 0.712 -11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.111 0.066 -9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.796 1.567 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.362 1.645 -8.986 1.00 0.00 H new ATOM 1212 N ASN A 81 1.060 5.425 -7.917 1.00 0.00 N ATOM 1213 CA ASN A 81 0.890 6.851 -8.169 1.00 0.00 C ATOM 1214 C ASN A 81 1.887 7.670 -7.355 1.00 0.00 C ATOM 1215 O ASN A 81 2.525 8.587 -7.874 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.539 7.282 -7.830 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.634 8.760 -7.501 1.00 0.00 C ATOM 1218 OD1 ASN A 81 0.119 9.575 -8.033 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.563 9.111 -6.619 1.00 0.00 N ATOM 0 H ASN A 81 0.241 4.966 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 81 1.076 7.033 -9.227 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.193 7.057 -8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.900 6.700 -6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.674 10.091 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.166 8.401 -6.203 1.00 0.00 H new ATOM 1226 N LEU A 82 2.016 7.333 -6.076 1.00 0.00 N ATOM 1227 CA LEU A 82 2.936 8.037 -5.189 1.00 0.00 C ATOM 1228 C LEU A 82 4.385 7.742 -5.563 1.00 0.00 C ATOM 1229 O LEU A 82 5.260 8.595 -5.415 1.00 0.00 O ATOM 1230 CB LEU A 82 2.681 7.635 -3.735 1.00 0.00 C ATOM 1231 CG LEU A 82 1.272 7.897 -3.204 1.00 0.00 C ATOM 1232 CD1 LEU A 82 1.118 7.335 -1.799 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.964 9.387 -3.221 1.00 0.00 C ATOM 0 H LEU A 82 1.496 6.577 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 82 2.762 9.107 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.895 6.571 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.391 8.167 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 82 0.559 7.392 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.109 7.531 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.295 6.260 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.840 7.811 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.043 9.555 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.682 9.914 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.032 9.761 -4.243 1.00 0.00 H new ATOM 1245 N GLU A 83 4.631 6.530 -6.051 1.00 0.00 N ATOM 1246 CA GLU A 83 5.974 6.125 -6.448 1.00 0.00 C ATOM 1247 C GLU A 83 6.545 7.082 -7.490 1.00 0.00 C ATOM 1248 O GLU A 83 7.573 7.721 -7.264 1.00 0.00 O ATOM 1249 CB GLU A 83 5.958 4.699 -7.003 1.00 0.00 C ATOM 1250 CG GLU A 83 7.339 4.156 -7.328 1.00 0.00 C ATOM 1251 CD GLU A 83 7.300 3.034 -8.346 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.552 2.058 -8.127 1.00 0.00 O ATOM 1253 OE2 GLU A 83 8.019 3.131 -9.363 1.00 0.00 O ATOM 0 H GLU A 83 3.918 5.812 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 83 6.611 6.156 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.480 4.041 -6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.347 4.676 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.963 4.965 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.808 3.795 -6.413 1.00 0.00 H new ATOM 1260 N GLU A 84 5.872 7.174 -8.633 1.00 0.00 N ATOM 1261 CA GLU A 84 6.313 8.052 -9.710 1.00 0.00 C ATOM 1262 C GLU A 84 6.163 9.518 -9.314 1.00 0.00 C ATOM 1263 O GLU A 84 6.953 10.366 -9.727 1.00 0.00 O ATOM 1264 CB GLU A 84 5.515 7.772 -10.985 1.00 0.00 C ATOM 1265 CG GLU A 84 6.268 8.108 -12.261 1.00 0.00 C ATOM 1266 CD GLU A 84 7.129 6.959 -12.750 1.00 0.00 C ATOM 1267 OE1 GLU A 84 7.882 6.392 -11.931 1.00 0.00 O ATOM 1268 OE2 GLU A 84 7.049 6.628 -13.951 1.00 0.00 O ATOM 0 H GLU A 84 5.020 6.652 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 84 7.368 7.851 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.236 6.719 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.589 8.347 -10.958 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.554 8.379 -13.039 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.898 8.981 -12.088 1.00 0.00 H new ATOM 1275 N GLU A 85 5.144 9.806 -8.511 1.00 0.00 N ATOM 1276 CA GLU A 85 4.890 11.170 -8.060 1.00 0.00 C ATOM 1277 C GLU A 85 6.043 11.683 -7.202 1.00 0.00 C ATOM 1278 O GLU A 85 6.436 12.846 -7.302 1.00 0.00 O ATOM 1279 CB GLU A 85 3.582 11.233 -7.268 1.00 0.00 C ATOM 1280 CG GLU A 85 3.351 12.568 -6.581 1.00 0.00 C ATOM 1281 CD GLU A 85 3.414 13.738 -7.544 1.00 0.00 C ATOM 1282 OE1 GLU A 85 2.834 13.634 -8.645 1.00 0.00 O ATOM 1283 OE2 GLU A 85 4.045 14.759 -7.196 1.00 0.00 O ATOM 0 H GLU A 85 4.482 9.115 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 85 4.804 11.807 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.749 11.032 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.583 10.443 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.377 12.557 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.099 12.705 -5.800 1.00 0.00 H new ATOM 1290 N TYR A 86 6.580 10.808 -6.359 1.00 0.00 N ATOM 1291 CA TYR A 86 7.685 11.173 -5.481 1.00 0.00 C ATOM 1292 C TYR A 86 8.993 11.268 -6.262 1.00 0.00 C ATOM 1293 O TYR A 86 9.701 12.273 -6.189 1.00 0.00 O ATOM 1294 CB TYR A 86 7.826 10.150 -4.352 1.00 0.00 C ATOM 1295 CG TYR A 86 6.871 10.382 -3.203 1.00 0.00 C ATOM 1296 CD1 TYR A 86 6.686 11.653 -2.673 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.153 9.329 -2.648 1.00 0.00 C ATOM 1298 CE1 TYR A 86 5.815 11.868 -1.622 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.279 9.536 -1.598 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.114 10.807 -1.089 1.00 0.00 C ATOM 1301 OH TYR A 86 4.244 11.018 -0.043 1.00 0.00 O ATOM 0 H TYR A 86 6.268 9.841 -6.265 1.00 0.00 H new ATOM 0 HA TYR A 86 7.467 12.151 -5.052 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.660 9.151 -4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.848 10.176 -3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.232 12.487 -3.089 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.280 8.332 -3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.684 12.862 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.728 8.707 -1.178 1.00 0.00 H new ATOM 0 HH TYR A 86 3.830 10.168 0.214 1.00 0.00 H new ATOM 1311 N LEU A 87 9.306 10.215 -7.009 1.00 0.00 N ATOM 1312 CA LEU A 87 10.527 10.178 -7.805 1.00 0.00 C ATOM 1313 C LEU A 87 10.582 11.356 -8.773 1.00 0.00 C ATOM 1314 O LEU A 87 11.656 11.881 -9.067 1.00 0.00 O ATOM 1315 CB LEU A 87 10.615 8.862 -8.580 1.00 0.00 C ATOM 1316 CG LEU A 87 10.731 7.593 -7.735 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.542 6.357 -8.600 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.076 7.547 -7.023 1.00 0.00 C ATOM 0 H LEU A 87 8.731 9.376 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 87 11.376 10.250 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.730 8.775 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.477 8.912 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 87 9.944 7.608 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.628 5.464 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.556 6.384 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.307 6.336 -9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.141 6.637 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.879 7.555 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.173 8.416 -6.372 1.00 0.00 H new ATOM 1330 N ALA A 88 9.417 11.767 -9.263 1.00 0.00 N ATOM 1331 CA ALA A 88 9.332 12.885 -10.195 1.00 0.00 C ATOM 1332 C ALA A 88 9.863 14.167 -9.563 1.00 0.00 C ATOM 1333 O ALA A 88 10.239 15.107 -10.264 1.00 0.00 O ATOM 1334 CB ALA A 88 7.896 13.078 -10.658 1.00 0.00 C ATOM 0 H ALA A 88 8.519 11.343 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 88 9.953 12.653 -11.060 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.847 13.916 -11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.550 12.173 -11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.261 13.284 -9.797 1.00 0.00 H new