USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 TYR OH : rot -84:sc= 0.73 USER MOD Set 1.2: A 43 TYR OH : rot 178:sc= 0.829 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0.375 USER MOD Set 2.2: A 41 GLN : amide:sc= -0.668 K(o=-0.29,f=-1.5) USER MOD Set 3.1: A 32 THR OG1 : rot -157:sc= 0.582 USER MOD Set 3.2: A 61 TYR OH : rot 130:sc= 0.527 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -22:sc= 1.23 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0941 X(o=-0.094,f=-0.18) USER MOD Single : A 35 TYR OH : rot -171:sc= 1.29 USER MOD Single : A 39 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.582 K(o=-0.58,f=-3) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.568 K(o=0.57,f=-0.17) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 46:sc= 0.456 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 8.827 7.980 0.839 1.00 0.00 N ATOM 135 CA TYR A 10 9.715 6.858 1.140 1.00 0.00 C ATOM 136 C TYR A 10 10.960 6.922 0.249 1.00 0.00 C ATOM 137 O TYR A 10 10.916 7.527 -0.826 1.00 0.00 O ATOM 138 CB TYR A 10 8.959 5.538 0.962 1.00 0.00 C ATOM 139 CG TYR A 10 8.092 5.209 2.155 1.00 0.00 C ATOM 140 CD1 TYR A 10 6.874 5.882 2.358 1.00 0.00 C ATOM 141 CD2 TYR A 10 8.539 4.269 3.099 1.00 0.00 C ATOM 142 CE1 TYR A 10 6.098 5.615 3.498 1.00 0.00 C ATOM 143 CE2 TYR A 10 7.771 3.997 4.241 1.00 0.00 C ATOM 144 CZ TYR A 10 6.553 4.680 4.455 1.00 0.00 C ATOM 145 OH TYR A 10 5.838 4.442 5.588 1.00 0.00 O ATOM 0 HA TYR A 10 10.046 6.919 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.337 5.595 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.674 4.731 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.534 6.608 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.476 3.755 2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.156 6.123 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.111 3.264 4.958 1.00 0.00 H new ATOM 0 HH TYR A 10 6.300 3.769 6.131 1.00 0.00 H new ATOM 155 N PRO A 11 12.063 6.260 0.639 1.00 0.00 N ATOM 156 CA PRO A 11 13.128 5.930 -0.294 1.00 0.00 C ATOM 157 C PRO A 11 12.611 4.886 -1.295 1.00 0.00 C ATOM 158 O PRO A 11 11.493 4.396 -1.164 1.00 0.00 O ATOM 159 CB PRO A 11 14.261 5.399 0.586 1.00 0.00 C ATOM 160 CG PRO A 11 13.524 4.722 1.739 1.00 0.00 C ATOM 161 CD PRO A 11 12.291 5.606 1.921 1.00 0.00 C ATOM 0 HA PRO A 11 13.475 6.774 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.894 4.696 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.907 6.203 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.252 3.694 1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.133 4.687 2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.426 5.011 2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.453 6.341 2.709 1.00 0.00 H new ATOM 169 N VAL A 12 13.434 4.490 -2.264 1.00 0.00 N ATOM 170 CA VAL A 12 13.043 3.617 -3.372 1.00 0.00 C ATOM 171 C VAL A 12 13.606 2.208 -3.127 1.00 0.00 C ATOM 172 O VAL A 12 14.750 1.943 -3.514 1.00 0.00 O ATOM 173 CB VAL A 12 13.493 4.241 -4.708 1.00 0.00 C ATOM 174 CG1 VAL A 12 13.032 3.412 -5.915 1.00 0.00 C ATOM 175 CG2 VAL A 12 12.953 5.667 -4.883 1.00 0.00 C ATOM 0 H VAL A 12 14.413 4.773 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 12 11.959 3.518 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 12 14.582 4.259 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.371 3.889 -6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.453 2.409 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.944 3.349 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.293 6.070 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.863 5.648 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.319 6.297 -4.072 1.00 0.00 H new ATOM 185 N PRO A 13 12.913 1.324 -2.384 1.00 0.00 N ATOM 186 CA PRO A 13 13.423 -0.009 -2.095 1.00 0.00 C ATOM 187 C PRO A 13 13.428 -0.868 -3.369 1.00 0.00 C ATOM 188 O PRO A 13 12.621 -0.645 -4.280 1.00 0.00 O ATOM 189 CB PRO A 13 12.475 -0.549 -1.027 1.00 0.00 C ATOM 190 CG PRO A 13 11.130 0.037 -1.457 1.00 0.00 C ATOM 191 CD PRO A 13 11.547 1.442 -1.884 1.00 0.00 C ATOM 0 HA PRO A 13 14.455 -0.012 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.458 -1.639 -1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.760 -0.221 -0.027 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.678 -0.525 -2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.407 0.051 -0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.881 1.828 -2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.498 2.135 -1.044 1.00 0.00 H new ATOM 199 N ASP A 14 14.314 -1.864 -3.431 1.00 0.00 N ATOM 200 CA ASP A 14 14.486 -2.710 -4.611 1.00 0.00 C ATOM 201 C ASP A 14 14.613 -4.180 -4.239 1.00 0.00 C ATOM 202 O ASP A 14 15.400 -4.537 -3.357 1.00 0.00 O ATOM 203 CB ASP A 14 15.700 -2.282 -5.442 1.00 0.00 C ATOM 204 CG ASP A 14 15.589 -2.954 -6.809 1.00 0.00 C ATOM 205 OD1 ASP A 14 14.945 -2.375 -7.713 1.00 0.00 O ATOM 206 OD2 ASP A 14 16.018 -4.117 -6.951 1.00 0.00 O ATOM 0 H ASP A 14 14.935 -2.107 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 14 13.587 -2.582 -5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.726 -1.198 -5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.625 -2.575 -4.946 1.00 0.00 H new ATOM 211 N VAL A 15 13.874 -5.037 -4.946 1.00 0.00 N ATOM 212 CA VAL A 15 13.828 -6.481 -4.742 1.00 0.00 C ATOM 213 C VAL A 15 15.203 -7.158 -4.837 1.00 0.00 C ATOM 214 O VAL A 15 15.433 -8.177 -4.184 1.00 0.00 O ATOM 215 CB VAL A 15 12.773 -7.073 -5.700 1.00 0.00 C ATOM 216 CG1 VAL A 15 13.172 -6.961 -7.182 1.00 0.00 C ATOM 217 CG2 VAL A 15 12.424 -8.525 -5.360 1.00 0.00 C ATOM 0 H VAL A 15 13.268 -4.729 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 15 13.524 -6.687 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 15 11.883 -6.461 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.389 -7.395 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.304 -5.911 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.106 -7.497 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.678 -8.894 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 15 13.321 -9.140 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.024 -8.576 -4.347 1.00 0.00 H new ATOM 227 N SER A 16 16.155 -6.573 -5.570 1.00 0.00 N ATOM 228 CA SER A 16 17.529 -7.049 -5.650 1.00 0.00 C ATOM 229 C SER A 16 18.231 -7.017 -4.283 1.00 0.00 C ATOM 230 O SER A 16 19.299 -7.618 -4.133 1.00 0.00 O ATOM 231 CB SER A 16 18.275 -6.194 -6.683 1.00 0.00 C ATOM 232 OG SER A 16 19.365 -6.897 -7.242 1.00 0.00 O ATOM 0 H SER A 16 15.984 -5.740 -6.133 1.00 0.00 H new ATOM 0 HA SER A 16 17.530 -8.093 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.588 -5.895 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.634 -5.280 -6.210 1.00 0.00 H new ATOM 0 HG SER A 16 19.820 -6.328 -7.897 1.00 0.00 H new ATOM 238 N THR A 17 17.646 -6.357 -3.280 1.00 0.00 N ATOM 239 CA THR A 17 18.195 -6.236 -1.939 1.00 0.00 C ATOM 240 C THR A 17 17.333 -6.976 -0.902 1.00 0.00 C ATOM 241 O THR A 17 17.631 -6.917 0.294 1.00 0.00 O ATOM 242 CB THR A 17 18.419 -4.749 -1.598 1.00 0.00 C ATOM 243 OG1 THR A 17 17.192 -4.053 -1.464 1.00 0.00 O ATOM 244 CG2 THR A 17 19.251 -4.006 -2.655 1.00 0.00 C ATOM 0 H THR A 17 16.751 -5.880 -3.388 1.00 0.00 H new ATOM 0 HA THR A 17 19.168 -6.727 -1.906 1.00 0.00 H new ATOM 0 HB THR A 17 18.964 -4.761 -0.654 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.489 -4.534 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.373 -2.965 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.231 -4.475 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 17 18.740 -4.050 -3.617 1.00 0.00 H new ATOM 252 N TYR A 18 16.239 -7.640 -1.307 1.00 0.00 N ATOM 253 CA TYR A 18 15.377 -8.363 -0.379 1.00 0.00 C ATOM 254 C TYR A 18 15.990 -9.715 -0.038 1.00 0.00 C ATOM 255 O TYR A 18 16.914 -10.193 -0.710 1.00 0.00 O ATOM 256 CB TYR A 18 13.965 -8.520 -0.963 1.00 0.00 C ATOM 257 CG TYR A 18 13.184 -7.232 -1.150 1.00 0.00 C ATOM 258 CD1 TYR A 18 13.674 -5.999 -0.683 1.00 0.00 C ATOM 259 CD2 TYR A 18 11.958 -7.270 -1.834 1.00 0.00 C ATOM 260 CE1 TYR A 18 13.011 -4.807 -1.000 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.284 -6.080 -2.161 1.00 0.00 C ATOM 262 CZ TYR A 18 11.819 -4.835 -1.759 1.00 0.00 C ATOM 263 OH TYR A 18 11.208 -3.665 -2.096 1.00 0.00 O ATOM 0 H TYR A 18 15.935 -7.687 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 18 15.291 -7.788 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 18 14.044 -9.019 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 18 13.393 -9.179 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.567 -5.971 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.529 -8.222 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.412 -3.862 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.360 -6.117 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 18 10.637 -3.369 -1.356 1.00 0.00 H new ATOM 273 N GLN A 19 15.448 -10.342 0.999 1.00 0.00 N ATOM 274 CA GLN A 19 15.809 -11.679 1.439 1.00 0.00 C ATOM 275 C GLN A 19 14.702 -12.637 1.034 1.00 0.00 C ATOM 276 O GLN A 19 13.590 -12.532 1.534 1.00 0.00 O ATOM 277 CB GLN A 19 16.045 -11.705 2.953 1.00 0.00 C ATOM 278 CG GLN A 19 17.364 -11.013 3.309 1.00 0.00 C ATOM 279 CD GLN A 19 17.962 -11.523 4.614 1.00 0.00 C ATOM 280 OE1 GLN A 19 18.633 -12.549 4.649 1.00 0.00 O ATOM 281 NE2 GLN A 19 17.782 -10.805 5.710 1.00 0.00 N ATOM 0 H GLN A 19 14.721 -9.917 1.574 1.00 0.00 H new ATOM 0 HA GLN A 19 16.741 -11.987 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.219 -11.209 3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.063 -12.736 3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.080 -11.167 2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.197 -9.939 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.223 -9.953 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 19 18.202 -11.104 6.590 1.00 0.00 H new ATOM 290 N TYR A 20 14.973 -13.550 0.105 1.00 0.00 N ATOM 291 CA TYR A 20 14.050 -14.633 -0.181 1.00 0.00 C ATOM 292 C TYR A 20 13.880 -15.475 1.085 1.00 0.00 C ATOM 293 O TYR A 20 14.859 -15.767 1.782 1.00 0.00 O ATOM 294 CB TYR A 20 14.565 -15.437 -1.371 1.00 0.00 C ATOM 295 CG TYR A 20 13.592 -16.468 -1.908 1.00 0.00 C ATOM 296 CD1 TYR A 20 12.494 -16.049 -2.685 1.00 0.00 C ATOM 297 CD2 TYR A 20 13.758 -17.833 -1.613 1.00 0.00 C ATOM 298 CE1 TYR A 20 11.615 -16.992 -3.252 1.00 0.00 C ATOM 299 CE2 TYR A 20 12.846 -18.777 -2.121 1.00 0.00 C ATOM 300 CZ TYR A 20 11.795 -18.369 -2.980 1.00 0.00 C ATOM 301 OH TYR A 20 10.916 -19.287 -3.459 1.00 0.00 O ATOM 0 H TYR A 20 15.823 -13.558 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 20 13.066 -14.255 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.822 -14.747 -2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.485 -15.943 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 20 12.325 -14.995 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.584 -18.156 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.808 -16.666 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.948 -19.819 -1.855 1.00 0.00 H new ATOM 0 HH TYR A 20 11.193 -20.184 -3.177 1.00 0.00 H new ATOM 311 N ASP A 21 12.642 -15.862 1.365 1.00 0.00 N ATOM 312 CA ASP A 21 12.208 -16.535 2.593 1.00 0.00 C ATOM 313 C ASP A 21 11.664 -17.911 2.250 1.00 0.00 C ATOM 314 O ASP A 21 10.461 -18.145 2.278 1.00 0.00 O ATOM 315 CB ASP A 21 11.123 -15.714 3.323 1.00 0.00 C ATOM 316 CG ASP A 21 11.047 -16.003 4.826 1.00 0.00 C ATOM 317 OD1 ASP A 21 11.931 -16.712 5.357 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.120 -15.497 5.505 1.00 0.00 O ATOM 0 H ASP A 21 11.872 -15.710 0.713 1.00 0.00 H new ATOM 0 HA ASP A 21 13.067 -16.630 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.320 -14.652 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.154 -15.924 2.871 1.00 0.00 H new ATOM 323 N GLU A 22 12.530 -18.837 1.851 1.00 0.00 N ATOM 324 CA GLU A 22 12.119 -20.127 1.273 1.00 0.00 C ATOM 325 C GLU A 22 11.305 -21.040 2.203 1.00 0.00 C ATOM 326 O GLU A 22 10.884 -22.139 1.851 1.00 0.00 O ATOM 327 CB GLU A 22 13.338 -20.866 0.774 1.00 0.00 C ATOM 328 CG GLU A 22 14.551 -21.005 1.674 1.00 0.00 C ATOM 329 CD GLU A 22 14.940 -22.460 1.885 1.00 0.00 C ATOM 330 OE1 GLU A 22 15.649 -23.014 1.008 1.00 0.00 O ATOM 331 OE2 GLU A 22 14.535 -23.028 2.925 1.00 0.00 O ATOM 0 H GLU A 22 13.541 -18.721 1.916 1.00 0.00 H new ATOM 0 HA GLU A 22 11.440 -19.874 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.020 -21.871 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.666 -20.373 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.391 -20.465 1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.342 -20.542 2.638 1.00 0.00 H new ATOM 338 N THR A 23 11.144 -20.586 3.427 1.00 0.00 N ATOM 339 CA THR A 23 10.191 -21.066 4.411 1.00 0.00 C ATOM 340 C THR A 23 8.732 -20.789 3.980 1.00 0.00 C ATOM 341 O THR A 23 7.846 -21.528 4.412 1.00 0.00 O ATOM 342 CB THR A 23 10.547 -20.436 5.771 1.00 0.00 C ATOM 343 OG1 THR A 23 10.111 -21.258 6.831 1.00 0.00 O ATOM 344 CG2 THR A 23 9.925 -19.053 5.975 1.00 0.00 C ATOM 0 H THR A 23 11.713 -19.820 3.788 1.00 0.00 H new ATOM 0 HA THR A 23 10.257 -22.151 4.498 1.00 0.00 H new ATOM 0 HB THR A 23 11.632 -20.335 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.347 -20.842 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.214 -18.664 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.278 -18.377 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.839 -19.131 5.923 1.00 0.00 H new ATOM 352 N SER A 24 8.453 -19.758 3.169 1.00 0.00 N ATOM 353 CA SER A 24 7.129 -19.468 2.615 1.00 0.00 C ATOM 354 C SER A 24 7.156 -19.297 1.093 1.00 0.00 C ATOM 355 O SER A 24 6.145 -19.561 0.431 1.00 0.00 O ATOM 356 CB SER A 24 6.547 -18.234 3.317 1.00 0.00 C ATOM 357 OG SER A 24 7.466 -17.153 3.303 1.00 0.00 O ATOM 0 H SER A 24 9.163 -19.087 2.875 1.00 0.00 H new ATOM 0 HA SER A 24 6.482 -20.325 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.622 -17.935 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.292 -18.485 4.347 1.00 0.00 H new ATOM 0 HG SER A 24 7.069 -16.380 3.755 1.00 0.00 H new ATOM 363 N GLY A 25 8.294 -18.902 0.510 1.00 0.00 N ATOM 364 CA GLY A 25 8.427 -18.771 -0.936 1.00 0.00 C ATOM 365 C GLY A 25 8.213 -17.330 -1.414 1.00 0.00 C ATOM 366 O GLY A 25 8.109 -17.102 -2.623 1.00 0.00 O ATOM 0 H GLY A 25 9.141 -18.667 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.418 -19.108 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.705 -19.424 -1.425 1.00 0.00 H new ATOM 370 N TYR A 26 8.134 -16.365 -0.487 1.00 0.00 N ATOM 371 CA TYR A 26 7.972 -14.937 -0.752 1.00 0.00 C ATOM 372 C TYR A 26 9.339 -14.242 -0.620 1.00 0.00 C ATOM 373 O TYR A 26 10.339 -14.880 -0.281 1.00 0.00 O ATOM 374 CB TYR A 26 6.922 -14.347 0.206 1.00 0.00 C ATOM 375 CG TYR A 26 5.482 -14.628 -0.191 1.00 0.00 C ATOM 376 CD1 TYR A 26 5.028 -15.953 -0.329 1.00 0.00 C ATOM 377 CD2 TYR A 26 4.590 -13.563 -0.429 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.705 -16.219 -0.706 1.00 0.00 C ATOM 379 CE2 TYR A 26 3.251 -13.820 -0.781 1.00 0.00 C ATOM 380 CZ TYR A 26 2.806 -15.155 -0.927 1.00 0.00 C ATOM 381 OH TYR A 26 1.508 -15.449 -1.220 1.00 0.00 O ATOM 0 H TYR A 26 8.184 -16.572 0.510 1.00 0.00 H new ATOM 0 HA TYR A 26 7.611 -14.775 -1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.095 -14.746 1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.066 -13.268 0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.706 -16.773 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.936 -12.544 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.373 -17.240 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.566 -13.000 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 26 1.005 -14.618 -1.346 1.00 0.00 H new ATOM 391 N TYR A 27 9.422 -12.939 -0.877 1.00 0.00 N ATOM 392 CA TYR A 27 10.585 -12.136 -0.515 1.00 0.00 C ATOM 393 C TYR A 27 10.219 -11.366 0.748 1.00 0.00 C ATOM 394 O TYR A 27 9.093 -10.894 0.863 1.00 0.00 O ATOM 395 CB TYR A 27 10.962 -11.195 -1.663 1.00 0.00 C ATOM 396 CG TYR A 27 11.556 -11.911 -2.861 1.00 0.00 C ATOM 397 CD1 TYR A 27 10.710 -12.492 -3.825 1.00 0.00 C ATOM 398 CD2 TYR A 27 12.952 -12.045 -2.986 1.00 0.00 C ATOM 399 CE1 TYR A 27 11.252 -13.216 -4.902 1.00 0.00 C ATOM 400 CE2 TYR A 27 13.502 -12.753 -4.069 1.00 0.00 C ATOM 401 CZ TYR A 27 12.652 -13.347 -5.029 1.00 0.00 C ATOM 402 OH TYR A 27 13.188 -14.056 -6.059 1.00 0.00 O ATOM 0 H TYR A 27 8.684 -12.411 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 27 11.457 -12.763 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.074 -10.648 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.678 -10.458 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.639 -12.381 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.603 -11.602 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.598 -13.671 -5.631 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.574 -12.843 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 27 14.166 -14.042 -5.992 1.00 0.00 H new ATOM 412 N TYR A 28 11.153 -11.258 1.685 1.00 0.00 N ATOM 413 CA TYR A 28 11.060 -10.453 2.887 1.00 0.00 C ATOM 414 C TYR A 28 11.877 -9.191 2.645 1.00 0.00 C ATOM 415 O TYR A 28 13.015 -9.274 2.166 1.00 0.00 O ATOM 416 CB TYR A 28 11.631 -11.229 4.088 1.00 0.00 C ATOM 417 CG TYR A 28 11.772 -10.387 5.345 1.00 0.00 C ATOM 418 CD1 TYR A 28 10.683 -9.622 5.795 1.00 0.00 C ATOM 419 CD2 TYR A 28 13.003 -10.307 6.026 1.00 0.00 C ATOM 420 CE1 TYR A 28 10.826 -8.755 6.887 1.00 0.00 C ATOM 421 CE2 TYR A 28 13.152 -9.446 7.129 1.00 0.00 C ATOM 422 CZ TYR A 28 12.066 -8.649 7.558 1.00 0.00 C ATOM 423 OH TYR A 28 12.209 -7.800 8.617 1.00 0.00 O ATOM 0 H TYR A 28 12.040 -11.757 1.619 1.00 0.00 H new ATOM 0 HA TYR A 28 10.022 -10.207 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.984 -12.080 4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 28 12.608 -11.631 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.729 -9.703 5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 28 13.837 -10.910 5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.984 -8.165 7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.097 -9.394 7.649 1.00 0.00 H new ATOM 0 HH TYR A 28 13.126 -7.855 8.959 1.00 0.00 H new ATOM 433 N ASP A 29 11.334 -8.036 3.020 1.00 0.00 N ATOM 434 CA ASP A 29 11.881 -6.741 2.700 1.00 0.00 C ATOM 435 C ASP A 29 12.413 -6.116 3.996 1.00 0.00 C ATOM 436 O ASP A 29 11.727 -5.307 4.632 1.00 0.00 O ATOM 437 CB ASP A 29 10.861 -5.833 1.980 1.00 0.00 C ATOM 438 CG ASP A 29 9.721 -6.457 1.181 1.00 0.00 C ATOM 439 OD1 ASP A 29 9.855 -7.567 0.627 1.00 0.00 O ATOM 440 OD2 ASP A 29 8.696 -5.742 1.115 1.00 0.00 O ATOM 0 H ASP A 29 10.477 -7.985 3.570 1.00 0.00 H new ATOM 0 HA ASP A 29 12.700 -6.856 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.413 -5.186 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.421 -5.191 1.300 1.00 0.00 H new ATOM 445 N PRO A 30 13.657 -6.410 4.423 1.00 0.00 N ATOM 446 CA PRO A 30 14.218 -5.846 5.652 1.00 0.00 C ATOM 447 C PRO A 30 14.324 -4.318 5.626 1.00 0.00 C ATOM 448 O PRO A 30 14.532 -3.693 6.668 1.00 0.00 O ATOM 449 CB PRO A 30 15.605 -6.470 5.805 1.00 0.00 C ATOM 450 CG PRO A 30 15.963 -6.956 4.405 1.00 0.00 C ATOM 451 CD PRO A 30 14.612 -7.313 3.801 1.00 0.00 C ATOM 0 HA PRO A 30 13.560 -6.072 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.330 -5.742 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.593 -7.293 6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.470 -6.182 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 30 16.630 -7.818 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.621 -7.189 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.356 -8.353 4.001 1.00 0.00 H new ATOM 459 N GLN A 31 14.175 -3.708 4.449 1.00 0.00 N ATOM 460 CA GLN A 31 14.218 -2.275 4.248 1.00 0.00 C ATOM 461 C GLN A 31 13.117 -1.565 5.043 1.00 0.00 C ATOM 462 O GLN A 31 13.303 -0.403 5.414 1.00 0.00 O ATOM 463 CB GLN A 31 14.050 -1.997 2.744 1.00 0.00 C ATOM 464 CG GLN A 31 15.231 -2.509 1.896 1.00 0.00 C ATOM 465 CD GLN A 31 16.552 -1.810 2.242 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.608 -0.597 2.413 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.647 -2.528 2.405 1.00 0.00 N ATOM 0 H GLN A 31 14.016 -4.225 3.584 1.00 0.00 H new ATOM 0 HA GLN A 31 15.173 -1.890 4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.130 -2.466 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.939 -0.924 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.342 -3.583 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.009 -2.356 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.620 -3.538 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 31 18.521 -2.073 2.669 1.00 0.00 H new ATOM 476 N THR A 32 11.988 -2.240 5.286 1.00 0.00 N ATOM 477 CA THR A 32 10.829 -1.672 5.969 1.00 0.00 C ATOM 478 C THR A 32 10.069 -2.683 6.836 1.00 0.00 C ATOM 479 O THR A 32 9.307 -2.263 7.712 1.00 0.00 O ATOM 480 CB THR A 32 9.876 -1.052 4.932 1.00 0.00 C ATOM 481 OG1 THR A 32 9.689 -1.920 3.826 1.00 0.00 O ATOM 482 CG2 THR A 32 10.416 0.281 4.402 1.00 0.00 C ATOM 0 H THR A 32 11.856 -3.212 5.007 1.00 0.00 H new ATOM 0 HA THR A 32 11.208 -0.910 6.650 1.00 0.00 H new ATOM 0 HB THR A 32 8.927 -0.888 5.442 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.411 -1.399 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.719 0.692 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.530 0.982 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.384 0.119 3.928 1.00 0.00 H new ATOM 490 N GLY A 33 10.252 -3.991 6.633 1.00 0.00 N ATOM 491 CA GLY A 33 9.593 -5.031 7.410 1.00 0.00 C ATOM 492 C GLY A 33 8.372 -5.646 6.721 1.00 0.00 C ATOM 493 O GLY A 33 7.641 -6.407 7.362 1.00 0.00 O ATOM 0 H GLY A 33 10.873 -4.357 5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.313 -5.821 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.284 -4.613 8.368 1.00 0.00 H new ATOM 497 N LEU A 34 8.115 -5.309 5.456 1.00 0.00 N ATOM 498 CA LEU A 34 7.047 -5.887 4.636 1.00 0.00 C ATOM 499 C LEU A 34 7.548 -7.180 3.973 1.00 0.00 C ATOM 500 O LEU A 34 8.694 -7.579 4.197 1.00 0.00 O ATOM 501 CB LEU A 34 6.608 -4.863 3.573 1.00 0.00 C ATOM 502 CG LEU A 34 6.075 -3.531 4.137 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.033 -2.488 3.022 1.00 0.00 C ATOM 504 CD2 LEU A 34 4.673 -3.704 4.729 1.00 0.00 C ATOM 0 H LEU A 34 8.660 -4.605 4.958 1.00 0.00 H new ATOM 0 HA LEU A 34 6.189 -6.130 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.456 -4.652 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.834 -5.314 2.953 1.00 0.00 H new ATOM 0 HG LEU A 34 6.744 -3.201 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.656 -1.546 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.037 -2.339 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.375 -2.834 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.322 -2.749 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.991 -4.051 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.707 -4.435 5.537 1.00 0.00 H new ATOM 516 N TYR A 35 6.693 -7.845 3.194 1.00 0.00 N ATOM 517 CA TYR A 35 7.084 -8.860 2.223 1.00 0.00 C ATOM 518 C TYR A 35 6.664 -8.409 0.820 1.00 0.00 C ATOM 519 O TYR A 35 5.707 -7.644 0.663 1.00 0.00 O ATOM 520 CB TYR A 35 6.396 -10.195 2.563 1.00 0.00 C ATOM 521 CG TYR A 35 7.069 -11.016 3.644 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.010 -10.622 4.992 1.00 0.00 C ATOM 523 CD2 TYR A 35 7.750 -12.195 3.294 1.00 0.00 C ATOM 524 CE1 TYR A 35 7.675 -11.375 5.977 1.00 0.00 C ATOM 525 CE2 TYR A 35 8.407 -12.957 4.268 1.00 0.00 C ATOM 526 CZ TYR A 35 8.397 -12.539 5.615 1.00 0.00 C ATOM 527 OH TYR A 35 9.094 -13.244 6.543 1.00 0.00 O ATOM 0 H TYR A 35 5.686 -7.686 3.224 1.00 0.00 H new ATOM 0 HA TYR A 35 8.165 -8.995 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.372 -9.988 2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.339 -10.797 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.453 -9.740 5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.767 -12.516 2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.635 -11.065 7.011 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.921 -13.864 3.988 1.00 0.00 H new ATOM 0 HH TYR A 35 9.634 -13.929 6.096 1.00 0.00 H new ATOM 537 N TYR A 36 7.291 -8.989 -0.197 1.00 0.00 N ATOM 538 CA TYR A 36 7.023 -8.852 -1.621 1.00 0.00 C ATOM 539 C TYR A 36 6.850 -10.250 -2.238 1.00 0.00 C ATOM 540 O TYR A 36 7.206 -11.258 -1.623 1.00 0.00 O ATOM 541 CB TYR A 36 8.206 -8.081 -2.222 1.00 0.00 C ATOM 542 CG TYR A 36 8.217 -7.947 -3.731 1.00 0.00 C ATOM 543 CD1 TYR A 36 7.518 -6.898 -4.351 1.00 0.00 C ATOM 544 CD2 TYR A 36 8.928 -8.875 -4.514 1.00 0.00 C ATOM 545 CE1 TYR A 36 7.583 -6.724 -5.744 1.00 0.00 C ATOM 546 CE2 TYR A 36 8.952 -8.742 -5.910 1.00 0.00 C ATOM 547 CZ TYR A 36 8.310 -7.648 -6.527 1.00 0.00 C ATOM 548 OH TYR A 36 8.416 -7.468 -7.871 1.00 0.00 O ATOM 0 H TYR A 36 8.071 -9.625 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 36 6.102 -8.305 -1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.219 -7.081 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.128 -8.574 -1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 36 6.927 -6.221 -3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.455 -9.690 -4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 36 7.081 -5.890 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 36 9.463 -9.478 -6.513 1.00 0.00 H new ATOM 0 HH TYR A 36 8.950 -8.193 -8.257 1.00 0.00 H new ATOM 558 N ASP A 37 6.316 -10.348 -3.459 1.00 0.00 N ATOM 559 CA ASP A 37 6.138 -11.611 -4.179 1.00 0.00 C ATOM 560 C ASP A 37 6.536 -11.391 -5.641 1.00 0.00 C ATOM 561 O ASP A 37 6.273 -10.314 -6.181 1.00 0.00 O ATOM 562 CB ASP A 37 4.663 -11.990 -4.061 1.00 0.00 C ATOM 563 CG ASP A 37 4.219 -13.258 -4.786 1.00 0.00 C ATOM 564 OD1 ASP A 37 4.460 -13.411 -6.004 1.00 0.00 O ATOM 565 OD2 ASP A 37 3.517 -14.072 -4.155 1.00 0.00 O ATOM 0 H ASP A 37 5.990 -9.537 -3.984 1.00 0.00 H new ATOM 0 HA ASP A 37 6.755 -12.412 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.424 -12.102 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.067 -11.158 -4.436 1.00 0.00 H new ATOM 570 N PRO A 38 7.151 -12.372 -6.321 1.00 0.00 N ATOM 571 CA PRO A 38 7.634 -12.165 -7.677 1.00 0.00 C ATOM 572 C PRO A 38 6.510 -12.065 -8.716 1.00 0.00 C ATOM 573 O PRO A 38 6.671 -11.379 -9.731 1.00 0.00 O ATOM 574 CB PRO A 38 8.552 -13.362 -7.947 1.00 0.00 C ATOM 575 CG PRO A 38 7.978 -14.465 -7.056 1.00 0.00 C ATOM 576 CD PRO A 38 7.546 -13.682 -5.823 1.00 0.00 C ATOM 0 HA PRO A 38 8.152 -11.210 -7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.538 -13.648 -8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.588 -13.138 -7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.140 -14.977 -7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.722 -15.225 -6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.718 -14.175 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.360 -13.600 -5.103 1.00 0.00 H new ATOM 584 N ASN A 39 5.381 -12.740 -8.499 1.00 0.00 N ATOM 585 CA ASN A 39 4.196 -12.675 -9.333 1.00 0.00 C ATOM 586 C ASN A 39 3.292 -11.535 -8.886 1.00 0.00 C ATOM 587 O ASN A 39 2.579 -10.968 -9.714 1.00 0.00 O ATOM 588 CB ASN A 39 3.431 -13.998 -9.219 1.00 0.00 C ATOM 589 CG ASN A 39 4.042 -15.104 -10.071 1.00 0.00 C ATOM 590 OD1 ASN A 39 4.651 -14.851 -11.109 1.00 0.00 O ATOM 591 ND2 ASN A 39 3.974 -16.350 -9.642 1.00 0.00 N ATOM 0 H ASN A 39 5.270 -13.370 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 39 4.498 -12.501 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.414 -14.315 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.395 -13.842 -9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.425 -17.097 -10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.470 -16.566 -8.782 1.00 0.00 H new ATOM 598 N SER A 40 3.321 -11.170 -7.605 1.00 0.00 N ATOM 599 CA SER A 40 2.451 -10.155 -7.034 1.00 0.00 C ATOM 600 C SER A 40 3.293 -8.997 -6.509 1.00 0.00 C ATOM 601 O SER A 40 3.692 -8.966 -5.348 1.00 0.00 O ATOM 602 CB SER A 40 1.509 -10.731 -5.966 1.00 0.00 C ATOM 603 OG SER A 40 1.013 -12.015 -6.295 1.00 0.00 O ATOM 0 H SER A 40 3.963 -11.581 -6.927 1.00 0.00 H new ATOM 0 HA SER A 40 1.798 -9.774 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.039 -10.786 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.670 -10.050 -5.825 1.00 0.00 H new ATOM 0 HG SER A 40 0.422 -12.331 -5.580 1.00 0.00 H new ATOM 609 N GLN A 41 3.456 -7.956 -7.328 1.00 0.00 N ATOM 610 CA GLN A 41 3.988 -6.670 -6.866 1.00 0.00 C ATOM 611 C GLN A 41 3.074 -6.021 -5.800 1.00 0.00 C ATOM 612 O GLN A 41 3.384 -4.958 -5.264 1.00 0.00 O ATOM 613 CB GLN A 41 4.234 -5.715 -8.037 1.00 0.00 C ATOM 614 CG GLN A 41 5.371 -6.159 -8.963 1.00 0.00 C ATOM 615 CD GLN A 41 5.127 -7.500 -9.656 1.00 0.00 C ATOM 616 OE1 GLN A 41 4.094 -7.696 -10.300 1.00 0.00 O ATOM 617 NE2 GLN A 41 6.019 -8.458 -9.460 1.00 0.00 N ATOM 0 H GLN A 41 3.226 -7.978 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 41 4.949 -6.872 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.317 -5.624 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.462 -4.724 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.526 -5.393 -9.723 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.292 -6.224 -8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.864 -8.266 -8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.861 -9.389 -9.846 1.00 0.00 H new ATOM 626 N TYR A 42 1.939 -6.655 -5.493 1.00 0.00 N ATOM 627 CA TYR A 42 1.143 -6.420 -4.311 1.00 0.00 C ATOM 628 C TYR A 42 1.923 -6.966 -3.114 1.00 0.00 C ATOM 629 O TYR A 42 1.943 -8.174 -2.867 1.00 0.00 O ATOM 630 CB TYR A 42 -0.231 -7.089 -4.451 1.00 0.00 C ATOM 631 CG TYR A 42 -1.036 -6.710 -5.683 1.00 0.00 C ATOM 632 CD1 TYR A 42 -1.054 -5.383 -6.156 1.00 0.00 C ATOM 633 CD2 TYR A 42 -1.827 -7.686 -6.318 1.00 0.00 C ATOM 634 CE1 TYR A 42 -1.874 -5.018 -7.234 1.00 0.00 C ATOM 635 CE2 TYR A 42 -2.662 -7.328 -7.392 1.00 0.00 C ATOM 636 CZ TYR A 42 -2.681 -5.994 -7.857 1.00 0.00 C ATOM 637 OH TYR A 42 -3.528 -5.647 -8.860 1.00 0.00 O ATOM 0 H TYR A 42 1.542 -7.376 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 42 0.958 -5.355 -4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.088 -8.170 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.822 -6.848 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.430 -4.639 -5.684 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.793 -8.711 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.888 -3.997 -7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.288 -8.073 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.006 -6.443 -9.175 1.00 0.00 H new ATOM 647 N TYR A 43 2.602 -6.072 -2.406 1.00 0.00 N ATOM 648 CA TYR A 43 3.330 -6.352 -1.183 1.00 0.00 C ATOM 649 C TYR A 43 2.380 -6.911 -0.123 1.00 0.00 C ATOM 650 O TYR A 43 1.193 -6.576 -0.091 1.00 0.00 O ATOM 651 CB TYR A 43 3.954 -5.050 -0.675 1.00 0.00 C ATOM 652 CG TYR A 43 5.200 -4.590 -1.414 1.00 0.00 C ATOM 653 CD1 TYR A 43 5.120 -4.044 -2.709 1.00 0.00 C ATOM 654 CD2 TYR A 43 6.458 -4.724 -0.804 1.00 0.00 C ATOM 655 CE1 TYR A 43 6.285 -3.669 -3.404 1.00 0.00 C ATOM 656 CE2 TYR A 43 7.626 -4.337 -1.482 1.00 0.00 C ATOM 657 CZ TYR A 43 7.550 -3.813 -2.786 1.00 0.00 C ATOM 658 OH TYR A 43 8.700 -3.509 -3.447 1.00 0.00 O ATOM 0 H TYR A 43 2.660 -5.092 -2.683 1.00 0.00 H new ATOM 0 HA TYR A 43 4.108 -7.089 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.205 -4.261 -0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.203 -5.174 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.154 -3.911 -3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.528 -5.128 0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.214 -3.272 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.587 -4.442 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 43 9.465 -3.640 -2.849 1.00 0.00 H new ATOM 668 N TYR A 44 2.930 -7.690 0.803 1.00 0.00 N ATOM 669 CA TYR A 44 2.221 -8.283 1.918 1.00 0.00 C ATOM 670 C TYR A 44 2.681 -7.604 3.199 1.00 0.00 C ATOM 671 O TYR A 44 3.837 -7.691 3.621 1.00 0.00 O ATOM 672 CB TYR A 44 2.433 -9.792 1.964 1.00 0.00 C ATOM 673 CG TYR A 44 1.756 -10.421 3.163 1.00 0.00 C ATOM 674 CD1 TYR A 44 0.352 -10.468 3.202 1.00 0.00 C ATOM 675 CD2 TYR A 44 2.510 -10.897 4.255 1.00 0.00 C ATOM 676 CE1 TYR A 44 -0.307 -11.040 4.299 1.00 0.00 C ATOM 677 CE2 TYR A 44 1.855 -11.502 5.349 1.00 0.00 C ATOM 678 CZ TYR A 44 0.439 -11.577 5.369 1.00 0.00 C ATOM 679 OH TYR A 44 -0.236 -12.122 6.418 1.00 0.00 O ATOM 0 H TYR A 44 3.921 -7.931 0.791 1.00 0.00 H new ATOM 0 HA TYR A 44 1.148 -8.129 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.044 -10.241 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.501 -10.008 1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.222 -10.061 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.586 -10.799 4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.386 -11.070 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.430 -11.907 6.168 1.00 0.00 H new ATOM 0 HH TYR A 44 0.404 -12.454 7.082 1.00 0.00 H new ATOM 689 N ASN A 45 1.757 -6.884 3.812 1.00 0.00 N ATOM 690 CA ASN A 45 1.938 -6.189 5.066 1.00 0.00 C ATOM 691 C ASN A 45 1.621 -7.142 6.207 1.00 0.00 C ATOM 692 O ASN A 45 0.521 -7.082 6.771 1.00 0.00 O ATOM 693 CB ASN A 45 1.028 -4.962 5.086 1.00 0.00 C ATOM 694 CG ASN A 45 1.154 -4.196 6.390 1.00 0.00 C ATOM 695 OD1 ASN A 45 2.238 -4.057 6.933 1.00 0.00 O ATOM 696 ND2 ASN A 45 0.049 -3.699 6.922 1.00 0.00 N ATOM 0 H ASN A 45 0.819 -6.765 3.428 1.00 0.00 H new ATOM 0 HA ASN A 45 2.968 -5.851 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.281 -4.307 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.007 -5.273 4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.093 -3.188 7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.846 -3.827 6.451 1.00 0.00 H new ATOM 703 N ALA A 46 2.591 -7.992 6.573 1.00 0.00 N ATOM 704 CA ALA A 46 2.492 -8.918 7.699 1.00 0.00 C ATOM 705 C ALA A 46 1.909 -8.240 8.940 1.00 0.00 C ATOM 706 O ALA A 46 1.036 -8.800 9.606 1.00 0.00 O ATOM 707 CB ALA A 46 3.890 -9.464 8.008 1.00 0.00 C ATOM 0 H ALA A 46 3.483 -8.052 6.081 1.00 0.00 H new ATOM 0 HA ALA A 46 1.817 -9.730 7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.833 -10.157 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.279 -9.985 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.554 -8.639 8.264 1.00 0.00 H new ATOM 713 N GLN A 47 2.296 -6.980 9.163 1.00 0.00 N ATOM 714 CA GLN A 47 1.945 -6.128 10.278 1.00 0.00 C ATOM 715 C GLN A 47 0.464 -6.186 10.630 1.00 0.00 C ATOM 716 O GLN A 47 0.133 -6.220 11.815 1.00 0.00 O ATOM 717 CB GLN A 47 2.381 -4.699 9.921 1.00 0.00 C ATOM 718 CG GLN A 47 2.983 -3.966 11.109 1.00 0.00 C ATOM 719 CD GLN A 47 3.417 -2.560 10.690 1.00 0.00 C ATOM 720 OE1 GLN A 47 2.582 -1.730 10.355 1.00 0.00 O ATOM 721 NE2 GLN A 47 4.703 -2.251 10.652 1.00 0.00 N ATOM 0 H GLN A 47 2.913 -6.501 8.508 1.00 0.00 H new ATOM 0 HA GLN A 47 2.461 -6.479 11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.110 -4.735 9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.521 -4.141 9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.254 -3.905 11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.839 -4.521 11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.402 -2.940 10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.996 -1.324 10.344 1.00 0.00 H new ATOM 730 N SER A 48 -0.411 -6.255 9.627 1.00 0.00 N ATOM 731 CA SER A 48 -1.847 -6.382 9.801 1.00 0.00 C ATOM 732 C SER A 48 -2.451 -7.416 8.828 1.00 0.00 C ATOM 733 O SER A 48 -3.663 -7.418 8.592 1.00 0.00 O ATOM 734 CB SER A 48 -2.446 -4.990 9.616 1.00 0.00 C ATOM 735 OG SER A 48 -1.982 -4.069 10.591 1.00 0.00 O ATOM 0 H SER A 48 -0.127 -6.223 8.648 1.00 0.00 H new ATOM 0 HA SER A 48 -2.081 -6.758 10.797 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.197 -4.619 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.533 -5.055 9.669 1.00 0.00 H new ATOM 0 HG SER A 48 -2.390 -3.192 10.433 1.00 0.00 H new ATOM 741 N GLN A 49 -1.613 -8.268 8.226 1.00 0.00 N ATOM 742 CA GLN A 49 -1.946 -9.233 7.171 1.00 0.00 C ATOM 743 C GLN A 49 -2.539 -8.581 5.907 1.00 0.00 C ATOM 744 O GLN A 49 -3.176 -9.254 5.104 1.00 0.00 O ATOM 745 CB GLN A 49 -2.885 -10.338 7.704 1.00 0.00 C ATOM 746 CG GLN A 49 -2.550 -10.956 9.073 1.00 0.00 C ATOM 747 CD GLN A 49 -3.796 -11.649 9.615 1.00 0.00 C ATOM 748 OE1 GLN A 49 -4.154 -12.742 9.186 1.00 0.00 O ATOM 749 NE2 GLN A 49 -4.553 -10.996 10.487 1.00 0.00 N ATOM 0 H GLN A 49 -0.625 -8.305 8.477 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.000 -9.684 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.893 -9.926 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.909 -11.142 6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.733 -11.670 8.975 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.216 -10.183 9.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.254 -10.088 10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.434 -11.402 10.802 1.00 0.00 H new ATOM 758 N GLN A 50 -2.415 -7.261 5.756 1.00 0.00 N ATOM 759 CA GLN A 50 -2.985 -6.525 4.634 1.00 0.00 C ATOM 760 C GLN A 50 -2.150 -6.701 3.369 1.00 0.00 C ATOM 761 O GLN A 50 -0.984 -7.087 3.439 1.00 0.00 O ATOM 762 CB GLN A 50 -3.106 -5.029 4.989 1.00 0.00 C ATOM 763 CG GLN A 50 -4.032 -4.741 6.168 1.00 0.00 C ATOM 764 CD GLN A 50 -5.398 -5.383 5.991 1.00 0.00 C ATOM 765 OE1 GLN A 50 -6.274 -4.845 5.325 1.00 0.00 O ATOM 766 NE2 GLN A 50 -5.586 -6.550 6.586 1.00 0.00 N ATOM 0 H GLN A 50 -1.911 -6.670 6.417 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.978 -6.929 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.114 -4.639 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.469 -4.487 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.575 -5.110 7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.150 -3.663 6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.835 -6.970 7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.482 -7.029 6.497 1.00 0.00 H new ATOM 775 N TYR A 51 -2.713 -6.299 2.232 1.00 0.00 N ATOM 776 CA TYR A 51 -2.018 -6.233 0.955 1.00 0.00 C ATOM 777 C TYR A 51 -1.904 -4.784 0.499 1.00 0.00 C ATOM 778 O TYR A 51 -2.872 -4.017 0.536 1.00 0.00 O ATOM 779 CB TYR A 51 -2.736 -7.100 -0.070 1.00 0.00 C ATOM 780 CG TYR A 51 -2.361 -8.560 0.069 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.993 -9.374 1.030 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.326 -9.086 -0.727 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.633 -10.729 1.149 1.00 0.00 C ATOM 784 CE2 TYR A 51 -0.977 -10.443 -0.629 1.00 0.00 C ATOM 785 CZ TYR A 51 -1.644 -11.273 0.299 1.00 0.00 C ATOM 786 OH TYR A 51 -1.304 -12.584 0.407 1.00 0.00 O ATOM 0 H TYR A 51 -3.688 -6.004 2.175 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.006 -6.622 1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.814 -6.988 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.490 -6.755 -1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.753 -8.958 1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.798 -8.443 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.112 -11.353 1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.202 -10.850 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.610 -12.797 -0.251 1.00 0.00 H new ATOM 796 N LEU A 52 -0.701 -4.407 0.077 1.00 0.00 N ATOM 797 CA LEU A 52 -0.293 -3.057 -0.286 1.00 0.00 C ATOM 798 C LEU A 52 0.387 -3.099 -1.655 1.00 0.00 C ATOM 799 O LEU A 52 0.528 -4.171 -2.234 1.00 0.00 O ATOM 800 CB LEU A 52 0.674 -2.491 0.768 1.00 0.00 C ATOM 801 CG LEU A 52 0.210 -2.498 2.232 1.00 0.00 C ATOM 802 CD1 LEU A 52 1.345 -1.924 3.082 1.00 0.00 C ATOM 803 CD2 LEU A 52 -1.052 -1.677 2.507 1.00 0.00 C ATOM 0 H LEU A 52 0.060 -5.078 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.169 -2.409 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.605 -3.055 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.906 -1.462 0.494 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.037 -3.531 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.046 -1.915 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.236 -2.541 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.563 -0.906 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.304 -1.741 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.874 -0.636 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.878 -2.069 1.913 1.00 0.00 H new ATOM 815 N TYR A 53 0.839 -1.966 -2.182 1.00 0.00 N ATOM 816 CA TYR A 53 1.757 -1.902 -3.307 1.00 0.00 C ATOM 817 C TYR A 53 2.709 -0.720 -3.128 1.00 0.00 C ATOM 818 O TYR A 53 2.415 0.229 -2.392 1.00 0.00 O ATOM 819 CB TYR A 53 1.001 -1.859 -4.644 1.00 0.00 C ATOM 820 CG TYR A 53 0.174 -0.619 -4.953 1.00 0.00 C ATOM 821 CD1 TYR A 53 -1.067 -0.398 -4.324 1.00 0.00 C ATOM 822 CD2 TYR A 53 0.613 0.279 -5.943 1.00 0.00 C ATOM 823 CE1 TYR A 53 -1.876 0.691 -4.695 1.00 0.00 C ATOM 824 CE2 TYR A 53 -0.195 1.363 -6.332 1.00 0.00 C ATOM 825 CZ TYR A 53 -1.442 1.578 -5.707 1.00 0.00 C ATOM 826 OH TYR A 53 -2.177 2.669 -6.054 1.00 0.00 O ATOM 0 H TYR A 53 0.570 -1.048 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 53 2.358 -2.811 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.730 -1.983 -5.445 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.337 -2.722 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.401 -1.072 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.577 0.135 -6.408 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.827 0.849 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.140 2.032 -7.111 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.718 3.160 -6.767 1.00 0.00 H new ATOM 836 N TRP A 54 3.857 -0.795 -3.802 1.00 0.00 N ATOM 837 CA TRP A 54 4.815 0.291 -3.942 1.00 0.00 C ATOM 838 C TRP A 54 4.418 1.082 -5.181 1.00 0.00 C ATOM 839 O TRP A 54 4.318 0.494 -6.265 1.00 0.00 O ATOM 840 CB TRP A 54 6.231 -0.281 -4.119 1.00 0.00 C ATOM 841 CG TRP A 54 7.257 0.721 -4.548 1.00 0.00 C ATOM 842 CD1 TRP A 54 7.896 0.768 -5.740 1.00 0.00 C ATOM 843 CD2 TRP A 54 7.723 1.881 -3.807 1.00 0.00 C ATOM 844 NE1 TRP A 54 8.743 1.857 -5.770 1.00 0.00 N ATOM 845 CE2 TRP A 54 8.648 2.604 -4.615 1.00 0.00 C ATOM 846 CE3 TRP A 54 7.436 2.394 -2.530 1.00 0.00 C ATOM 847 CZ2 TRP A 54 9.251 3.792 -4.176 1.00 0.00 C ATOM 848 CZ3 TRP A 54 8.046 3.569 -2.072 1.00 0.00 C ATOM 849 CH2 TRP A 54 8.952 4.270 -2.888 1.00 0.00 C ATOM 0 H TRP A 54 4.152 -1.646 -4.281 1.00 0.00 H new ATOM 0 HA TRP A 54 4.813 0.928 -3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.549 -0.727 -3.177 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.195 -1.084 -4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 54 7.763 0.061 -6.545 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.362 2.081 -6.549 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.735 1.875 -1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 9.934 4.331 -4.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.819 3.940 -1.084 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.418 5.175 -2.526 1.00 0.00 H new ATOM 860 N ASP A 55 4.221 2.395 -5.051 1.00 0.00 N ATOM 861 CA ASP A 55 3.890 3.236 -6.197 1.00 0.00 C ATOM 862 C ASP A 55 4.929 4.326 -6.376 1.00 0.00 C ATOM 863 O ASP A 55 5.032 5.252 -5.568 1.00 0.00 O ATOM 864 CB ASP A 55 2.481 3.822 -6.109 1.00 0.00 C ATOM 865 CG ASP A 55 1.947 4.213 -7.488 1.00 0.00 C ATOM 866 OD1 ASP A 55 2.608 3.903 -8.506 1.00 0.00 O ATOM 867 OD2 ASP A 55 0.843 4.797 -7.534 1.00 0.00 O ATOM 0 H ASP A 55 4.285 2.896 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 55 3.902 2.596 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.811 3.094 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.490 4.698 -5.460 1.00 0.00 H new ATOM 872 N GLY A 56 5.738 4.195 -7.424 1.00 0.00 N ATOM 873 CA GLY A 56 6.882 5.056 -7.665 1.00 0.00 C ATOM 874 C GLY A 56 6.521 6.467 -8.119 1.00 0.00 C ATOM 875 O GLY A 56 7.435 7.267 -8.295 1.00 0.00 O ATOM 0 H GLY A 56 5.612 3.476 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.472 5.121 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.516 4.594 -8.422 1.00 0.00 H new ATOM 879 N GLU A 57 5.238 6.807 -8.297 1.00 0.00 N ATOM 880 CA GLU A 57 4.854 8.192 -8.551 1.00 0.00 C ATOM 881 C GLU A 57 4.909 9.000 -7.260 1.00 0.00 C ATOM 882 O GLU A 57 5.579 10.025 -7.169 1.00 0.00 O ATOM 883 CB GLU A 57 3.466 8.295 -9.193 1.00 0.00 C ATOM 884 CG GLU A 57 2.383 7.320 -8.712 1.00 0.00 C ATOM 885 CD GLU A 57 0.996 7.712 -9.234 1.00 0.00 C ATOM 886 OE1 GLU A 57 0.661 7.455 -10.415 1.00 0.00 O ATOM 887 OE2 GLU A 57 0.247 8.403 -8.505 1.00 0.00 O ATOM 0 H GLU A 57 4.460 6.148 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 57 5.569 8.607 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.098 9.309 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.583 8.162 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.626 6.312 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.369 7.300 -7.622 1.00 0.00 H new ATOM 894 N ARG A 58 4.205 8.518 -6.241 1.00 0.00 N ATOM 895 CA ARG A 58 4.095 9.169 -4.941 1.00 0.00 C ATOM 896 C ARG A 58 5.227 8.722 -4.020 1.00 0.00 C ATOM 897 O ARG A 58 5.384 9.276 -2.937 1.00 0.00 O ATOM 898 CB ARG A 58 2.736 8.797 -4.342 1.00 0.00 C ATOM 899 CG ARG A 58 1.542 9.233 -5.216 1.00 0.00 C ATOM 900 CD ARG A 58 0.443 8.186 -5.062 1.00 0.00 C ATOM 901 NE ARG A 58 -0.733 8.446 -5.894 1.00 0.00 N ATOM 902 CZ ARG A 58 -2.001 8.516 -5.480 1.00 0.00 C ATOM 903 NH1 ARG A 58 -2.298 8.651 -4.194 1.00 0.00 N ATOM 904 NH2 ARG A 58 -2.979 8.470 -6.371 1.00 0.00 N ATOM 0 H ARG A 58 3.683 7.643 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 58 4.173 10.250 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.695 7.718 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.643 9.256 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.181 10.214 -4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.844 9.319 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.848 7.206 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.136 8.144 -4.017 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.567 8.588 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.551 8.703 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.273 8.703 -3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.761 8.382 -7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.951 8.523 -6.065 1.00 0.00 H new ATOM 918 N ARG A 59 6.012 7.722 -4.450 1.00 0.00 N ATOM 919 CA ARG A 59 7.070 7.069 -3.681 1.00 0.00 C ATOM 920 C ARG A 59 6.563 6.775 -2.275 1.00 0.00 C ATOM 921 O ARG A 59 7.123 7.251 -1.291 1.00 0.00 O ATOM 922 CB ARG A 59 8.371 7.897 -3.664 1.00 0.00 C ATOM 923 CG ARG A 59 9.091 8.022 -5.010 1.00 0.00 C ATOM 924 CD ARG A 59 8.416 9.038 -5.936 1.00 0.00 C ATOM 925 NE ARG A 59 9.174 9.213 -7.175 1.00 0.00 N ATOM 926 CZ ARG A 59 10.142 10.105 -7.375 1.00 0.00 C ATOM 927 NH1 ARG A 59 10.512 10.921 -6.394 1.00 0.00 N ATOM 928 NH2 ARG A 59 10.730 10.184 -8.559 1.00 0.00 N ATOM 0 H ARG A 59 5.918 7.332 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 59 7.324 6.127 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.139 8.898 -3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.057 7.449 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.126 8.319 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.115 7.048 -5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.405 8.705 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.326 9.996 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 59 8.940 8.598 -7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.054 10.865 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.254 11.603 -6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.441 9.563 -9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.472 10.866 -8.715 1.00 0.00 H new ATOM 942 N THR A 60 5.496 5.993 -2.160 1.00 0.00 N ATOM 943 CA THR A 60 4.993 5.586 -0.860 1.00 0.00 C ATOM 944 C THR A 60 4.357 4.197 -0.990 1.00 0.00 C ATOM 945 O THR A 60 4.316 3.614 -2.081 1.00 0.00 O ATOM 946 CB THR A 60 4.056 6.686 -0.309 1.00 0.00 C ATOM 947 OG1 THR A 60 3.784 6.481 1.065 1.00 0.00 O ATOM 948 CG2 THR A 60 2.724 6.764 -1.055 1.00 0.00 C ATOM 0 H THR A 60 4.965 5.630 -2.952 1.00 0.00 H new ATOM 0 HA THR A 60 5.790 5.485 -0.123 1.00 0.00 H new ATOM 0 HB THR A 60 4.590 7.625 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.619 6.280 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.110 7.554 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.908 6.983 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.202 5.811 -0.969 1.00 0.00 H new ATOM 956 N TYR A 61 3.850 3.665 0.124 1.00 0.00 N ATOM 957 CA TYR A 61 3.081 2.430 0.156 1.00 0.00 C ATOM 958 C TYR A 61 1.600 2.752 0.332 1.00 0.00 C ATOM 959 O TYR A 61 1.208 3.604 1.145 1.00 0.00 O ATOM 960 CB TYR A 61 3.575 1.523 1.275 1.00 0.00 C ATOM 961 CG TYR A 61 5.039 1.149 1.179 1.00 0.00 C ATOM 962 CD1 TYR A 61 5.494 0.276 0.172 1.00 0.00 C ATOM 963 CD2 TYR A 61 5.941 1.646 2.133 1.00 0.00 C ATOM 964 CE1 TYR A 61 6.798 -0.250 0.227 1.00 0.00 C ATOM 965 CE2 TYR A 61 7.262 1.175 2.155 1.00 0.00 C ATOM 966 CZ TYR A 61 7.677 0.172 1.250 1.00 0.00 C ATOM 967 OH TYR A 61 8.897 -0.409 1.412 1.00 0.00 O ATOM 0 H TYR A 61 3.967 4.092 1.043 1.00 0.00 H new ATOM 0 HA TYR A 61 3.215 1.901 -0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.401 2.018 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.979 0.610 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.840 0.009 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.619 2.389 2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.125 -0.971 -0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.965 1.581 2.867 1.00 0.00 H new ATOM 0 HH TYR A 61 9.585 0.286 1.469 1.00 0.00 H new ATOM 977 N VAL A 62 0.782 2.120 -0.499 1.00 0.00 N ATOM 978 CA VAL A 62 -0.669 2.261 -0.568 1.00 0.00 C ATOM 979 C VAL A 62 -1.350 0.888 -0.490 1.00 0.00 C ATOM 980 O VAL A 62 -0.735 -0.088 -0.906 1.00 0.00 O ATOM 981 CB VAL A 62 -1.036 3.025 -1.855 1.00 0.00 C ATOM 982 CG1 VAL A 62 -1.187 4.521 -1.556 1.00 0.00 C ATOM 983 CG2 VAL A 62 -0.018 2.813 -2.990 1.00 0.00 C ATOM 0 H VAL A 62 1.134 1.454 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.031 2.835 0.285 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.986 2.619 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.446 5.051 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.975 4.667 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.247 4.911 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.331 3.376 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.964 3.160 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.035 1.753 -3.238 1.00 0.00 H new ATOM 993 N PRO A 63 -2.612 0.776 -0.040 1.00 0.00 N ATOM 994 CA PRO A 63 -3.359 -0.480 -0.049 1.00 0.00 C ATOM 995 C PRO A 63 -3.730 -0.910 -1.474 1.00 0.00 C ATOM 996 O PRO A 63 -4.264 -0.109 -2.248 1.00 0.00 O ATOM 997 CB PRO A 63 -4.581 -0.235 0.842 1.00 0.00 C ATOM 998 CG PRO A 63 -4.784 1.278 0.806 1.00 0.00 C ATOM 999 CD PRO A 63 -3.371 1.828 0.609 1.00 0.00 C ATOM 0 HA PRO A 63 -2.766 -1.310 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.458 -0.762 0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.408 -0.588 1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.446 1.574 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.231 1.644 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.387 2.730 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.922 2.098 1.565 1.00 0.00 H new ATOM 1007 N ALA A 64 -3.466 -2.176 -1.822 1.00 0.00 N ATOM 1008 CA ALA A 64 -3.776 -2.764 -3.125 1.00 0.00 C ATOM 1009 C ALA A 64 -5.118 -3.498 -3.034 1.00 0.00 C ATOM 1010 O ALA A 64 -5.172 -4.725 -3.141 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.649 -3.709 -3.569 1.00 0.00 C ATOM 0 H ALA A 64 -3.018 -2.835 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.855 -1.978 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.895 -4.138 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.715 -3.152 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.535 -4.509 -2.837 1.00 0.00 H new