USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 644 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 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.99 K(o=-3,f=-2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 23 SER OG : rot -97:sc= 0.0303 USER MOD Single : A 24 SER OG : rot 61:sc= 0.92 USER MOD Single : A 38 SER OG : rot -89:sc= 0.0407 USER MOD Single : A 64 MET CE :methyl -174:sc= 0 (180deg=-0.0117) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -120:sc= -0.65 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.306 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.48 X(o=-0.48,f=-0.51) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 40:sc= 0.0739 USER MOD Single : A 100 GLN : amide:sc= -0.155 K(o=-0.16,f=-3.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : A 105 THR OG1 : rot 153:sc= 1.85 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.598 -11.370 7.637 1.00 0.00 N ATOM 116 CA ARG A 11 -1.248 -10.188 8.189 1.00 0.00 C ATOM 117 C ARG A 11 -0.469 -8.924 7.834 1.00 0.00 C ATOM 118 O ARG A 11 0.564 -8.986 7.166 1.00 0.00 O ATOM 119 CB ARG A 11 -1.374 -10.312 9.709 1.00 0.00 C ATOM 120 CG ARG A 11 -1.506 -11.747 10.194 1.00 0.00 C ATOM 121 CD ARG A 11 -0.147 -12.416 10.329 1.00 0.00 C ATOM 122 NE ARG A 11 0.405 -12.267 11.672 1.00 0.00 N ATOM 123 CZ ARG A 11 -0.044 -12.933 12.730 1.00 0.00 C ATOM 124 NH1 ARG A 11 -1.046 -13.791 12.601 1.00 0.00 N ATOM 125 NH2 ARG A 11 0.511 -12.742 13.920 1.00 0.00 N ATOM 0 HA ARG A 11 -2.244 -10.115 7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.500 -9.859 10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.243 -9.744 10.041 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.017 -11.761 11.157 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.124 -12.313 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.239 -13.476 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.543 -11.985 9.604 1.00 0.00 H new ATOM 0 HE ARG A 11 1.178 -11.615 11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.474 -13.941 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.389 -14.301 13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.283 -12.083 14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.166 -13.254 14.732 1.00 0.00 H new ATOM 139 N LEU A 12 -0.971 -7.780 8.285 1.00 0.00 N ATOM 140 CA LEU A 12 -0.323 -6.501 8.015 1.00 0.00 C ATOM 141 C LEU A 12 0.460 -6.020 9.232 1.00 0.00 C ATOM 142 O LEU A 12 0.277 -6.524 10.340 1.00 0.00 O ATOM 143 CB LEU A 12 -1.365 -5.454 7.618 1.00 0.00 C ATOM 144 CG LEU A 12 -1.842 -5.498 6.166 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.277 -5.005 6.060 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.925 -4.671 5.277 1.00 0.00 C ATOM 0 H LEU A 12 -1.825 -7.712 8.839 1.00 0.00 H new ATOM 0 HA LEU A 12 0.375 -6.642 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.232 -5.569 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.950 -4.465 7.813 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.809 -6.533 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.599 -5.044 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.925 -5.640 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.336 -3.978 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.280 -4.714 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.925 -3.636 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.088 -5.070 5.328 1.00 0.00 H new ATOM 158 N SER A 13 1.332 -5.040 9.019 1.00 0.00 N ATOM 159 CA SER A 13 2.145 -4.491 10.098 1.00 0.00 C ATOM 160 C SER A 13 1.577 -3.160 10.583 1.00 0.00 C ATOM 161 O SER A 13 0.560 -2.687 10.078 1.00 0.00 O ATOM 162 CB SER A 13 3.590 -4.303 9.632 1.00 0.00 C ATOM 163 OG SER A 13 4.497 -4.447 10.711 1.00 0.00 O ATOM 0 H SER A 13 1.494 -4.610 8.109 1.00 0.00 H new ATOM 0 HA SER A 13 2.128 -5.197 10.928 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.823 -5.033 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.706 -3.316 9.185 1.00 0.00 H new ATOM 0 HG SER A 13 5.414 -4.324 10.387 1.00 0.00 H new ATOM 169 N GLN A 14 2.244 -2.563 11.565 1.00 0.00 N ATOM 170 CA GLN A 14 1.806 -1.287 12.119 1.00 0.00 C ATOM 171 C GLN A 14 1.669 -0.236 11.022 1.00 0.00 C ATOM 172 O GLN A 14 2.663 0.216 10.453 1.00 0.00 O ATOM 173 CB GLN A 14 2.792 -0.804 13.184 1.00 0.00 C ATOM 174 CG GLN A 14 4.211 -0.634 12.667 1.00 0.00 C ATOM 175 CD GLN A 14 5.228 -0.505 13.785 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.360 0.553 14.400 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.953 -1.585 14.054 1.00 0.00 N ATOM 0 H GLN A 14 3.089 -2.942 11.993 1.00 0.00 H new ATOM 0 HA GLN A 14 0.829 -1.435 12.579 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.444 0.148 13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.798 -1.515 14.011 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.471 -1.488 12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.259 0.251 12.033 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.810 -2.441 13.519 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.652 -1.558 14.796 1.00 0.00 H new ATOM 186 N LEU A 15 0.432 0.150 10.731 1.00 0.00 N ATOM 187 CA LEU A 15 0.164 1.149 9.702 1.00 0.00 C ATOM 188 C LEU A 15 0.234 2.558 10.279 1.00 0.00 C ATOM 189 O LEU A 15 -0.683 3.005 10.968 1.00 0.00 O ATOM 190 CB LEU A 15 -1.212 0.910 9.077 1.00 0.00 C ATOM 191 CG LEU A 15 -1.716 1.997 8.128 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.064 1.857 6.761 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.232 1.938 8.006 1.00 0.00 C ATOM 0 H LEU A 15 -0.402 -0.213 11.193 1.00 0.00 H new ATOM 0 HA LEU A 15 0.929 1.054 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.183 -0.034 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.939 0.792 9.881 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.442 2.968 8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.435 2.639 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.017 1.950 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.306 0.881 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.573 2.719 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.528 0.964 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.682 2.089 8.987 1.00 0.00 H new ATOM 205 N SER A 16 1.329 3.256 9.993 1.00 0.00 N ATOM 206 CA SER A 16 1.521 4.615 10.485 1.00 0.00 C ATOM 207 C SER A 16 1.443 5.623 9.342 1.00 0.00 C ATOM 208 O SER A 16 1.526 5.257 8.170 1.00 0.00 O ATOM 209 CB SER A 16 2.869 4.737 11.197 1.00 0.00 C ATOM 210 OG SER A 16 2.827 5.735 12.202 1.00 0.00 O ATOM 0 H SER A 16 2.097 2.902 9.423 1.00 0.00 H new ATOM 0 HA SER A 16 0.723 4.834 11.194 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.136 3.779 11.643 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.646 4.979 10.472 1.00 0.00 H new ATOM 0 HG SER A 16 3.700 5.792 12.643 1.00 0.00 H new ATOM 216 N VAL A 17 1.283 6.895 9.693 1.00 0.00 N ATOM 217 CA VAL A 17 1.195 7.957 8.698 1.00 0.00 C ATOM 218 C VAL A 17 2.392 8.898 8.792 1.00 0.00 C ATOM 219 O VAL A 17 2.729 9.387 9.870 1.00 0.00 O ATOM 220 CB VAL A 17 -0.100 8.774 8.863 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.152 9.902 7.844 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.318 7.872 8.734 1.00 0.00 C ATOM 0 H VAL A 17 1.212 7.215 10.659 1.00 0.00 H new ATOM 0 HA VAL A 17 1.190 7.476 7.720 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.107 9.216 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.074 10.469 7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.703 10.562 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.123 9.485 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.224 8.465 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.319 7.401 7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.284 7.102 9.505 1.00 0.00 H new ATOM 232 N THR A 18 3.031 9.148 7.653 1.00 0.00 N ATOM 233 CA THR A 18 4.190 10.030 7.606 1.00 0.00 C ATOM 234 C THR A 18 3.971 11.174 6.622 1.00 0.00 C ATOM 235 O THR A 18 3.175 11.059 5.689 1.00 0.00 O ATOM 236 CB THR A 18 5.464 9.262 7.207 1.00 0.00 C ATOM 237 OG1 THR A 18 5.445 8.976 5.804 1.00 0.00 O ATOM 238 CG2 THR A 18 5.582 7.964 7.992 1.00 0.00 C ATOM 0 H THR A 18 2.765 8.752 6.751 1.00 0.00 H new ATOM 0 HA THR A 18 4.319 10.437 8.609 1.00 0.00 H new ATOM 0 HB THR A 18 6.326 9.888 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.259 8.489 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.489 7.439 7.693 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.626 8.186 9.058 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.715 7.335 7.788 1.00 0.00 H new ATOM 246 N ASP A 19 4.682 12.275 6.835 1.00 0.00 N ATOM 247 CA ASP A 19 4.567 13.440 5.965 1.00 0.00 C ATOM 248 C ASP A 19 3.160 14.027 6.027 1.00 0.00 C ATOM 249 O ASP A 19 2.638 14.521 5.028 1.00 0.00 O ATOM 250 CB ASP A 19 4.912 13.063 4.524 1.00 0.00 C ATOM 251 CG ASP A 19 6.391 13.211 4.225 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.053 14.028 4.899 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.887 12.511 3.317 1.00 0.00 O ATOM 0 H ASP A 19 5.344 12.386 7.603 1.00 0.00 H new ATOM 0 HA ASP A 19 5.272 14.194 6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.608 12.033 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.341 13.692 3.840 1.00 0.00 H new ATOM 258 N VAL A 20 2.551 13.969 7.207 1.00 0.00 N ATOM 259 CA VAL A 20 1.205 14.494 7.400 1.00 0.00 C ATOM 260 C VAL A 20 1.066 15.885 6.791 1.00 0.00 C ATOM 261 O VAL A 20 1.546 16.871 7.350 1.00 0.00 O ATOM 262 CB VAL A 20 0.837 14.561 8.894 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.539 15.183 9.078 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.892 13.175 9.518 1.00 0.00 C ATOM 0 H VAL A 20 2.969 13.563 8.044 1.00 0.00 H new ATOM 0 HA VAL A 20 0.523 13.809 6.896 1.00 0.00 H new ATOM 0 HB VAL A 20 1.566 15.193 9.402 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.782 15.222 10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.539 16.193 8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.283 14.580 8.558 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.629 13.241 10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.187 12.518 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.900 12.771 9.419 1.00 0.00 H new ATOM 274 N THR A 21 0.404 15.958 5.640 1.00 0.00 N ATOM 275 CA THR A 21 0.202 17.228 4.954 1.00 0.00 C ATOM 276 C THR A 21 -1.025 17.955 5.493 1.00 0.00 C ATOM 277 O THR A 21 -1.883 17.352 6.139 1.00 0.00 O ATOM 278 CB THR A 21 0.039 17.026 3.436 1.00 0.00 C ATOM 279 OG1 THR A 21 0.880 15.956 2.990 1.00 0.00 O ATOM 280 CG2 THR A 21 0.387 18.300 2.680 1.00 0.00 C ATOM 0 H THR A 21 -0.001 15.152 5.164 1.00 0.00 H new ATOM 0 HA THR A 21 1.090 17.833 5.140 1.00 0.00 H new ATOM 0 HB THR A 21 -1.003 16.776 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.769 15.833 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.264 18.133 1.610 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.275 19.105 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.421 18.576 2.888 1.00 0.00 H new ATOM 288 N THR A 22 -1.103 19.254 5.224 1.00 0.00 N ATOM 289 CA THR A 22 -2.225 20.063 5.682 1.00 0.00 C ATOM 290 C THR A 22 -3.556 19.403 5.340 1.00 0.00 C ATOM 291 O THR A 22 -4.431 19.268 6.195 1.00 0.00 O ATOM 292 CB THR A 22 -2.191 21.473 5.063 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.827 21.393 3.681 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.203 22.364 5.802 1.00 0.00 C ATOM 0 H THR A 22 -0.402 19.769 4.691 1.00 0.00 H new ATOM 0 HA THR A 22 -2.132 20.147 6.765 1.00 0.00 H new ATOM 0 HB THR A 22 -3.186 21.909 5.151 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.809 22.293 3.295 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.196 23.355 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.499 22.447 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.205 21.930 5.741 1.00 0.00 H new ATOM 302 N SER A 23 -3.701 18.992 4.084 1.00 0.00 N ATOM 303 CA SER A 23 -4.928 18.348 3.628 1.00 0.00 C ATOM 304 C SER A 23 -4.627 16.990 3.000 1.00 0.00 C ATOM 305 O SER A 23 -5.428 16.459 2.231 1.00 0.00 O ATOM 306 CB SER A 23 -5.653 19.240 2.619 1.00 0.00 C ATOM 307 OG SER A 23 -6.095 20.442 3.226 1.00 0.00 O ATOM 0 H SER A 23 -2.985 19.093 3.365 1.00 0.00 H new ATOM 0 HA SER A 23 -5.572 18.194 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.986 19.472 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.506 18.704 2.202 1.00 0.00 H new ATOM 0 HG SER A 23 -7.035 20.350 3.487 1.00 0.00 H new ATOM 313 N SER A 24 -3.466 16.435 3.333 1.00 0.00 N ATOM 314 CA SER A 24 -3.056 15.142 2.799 1.00 0.00 C ATOM 315 C SER A 24 -2.071 14.453 3.739 1.00 0.00 C ATOM 316 O SER A 24 -1.705 14.999 4.781 1.00 0.00 O ATOM 317 CB SER A 24 -2.424 15.314 1.417 1.00 0.00 C ATOM 318 OG SER A 24 -1.925 14.081 0.927 1.00 0.00 O ATOM 0 H SER A 24 -2.793 16.861 3.970 1.00 0.00 H new ATOM 0 HA SER A 24 -3.944 14.516 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.164 15.712 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.614 16.042 1.472 1.00 0.00 H new ATOM 0 HG SER A 24 -2.661 13.439 0.846 1.00 0.00 H new ATOM 324 N LEU A 25 -1.646 13.252 3.364 1.00 0.00 N ATOM 325 CA LEU A 25 -0.703 12.487 4.173 1.00 0.00 C ATOM 326 C LEU A 25 -0.254 11.227 3.440 1.00 0.00 C ATOM 327 O LEU A 25 -0.710 10.947 2.331 1.00 0.00 O ATOM 328 CB LEU A 25 -1.337 12.113 5.514 1.00 0.00 C ATOM 329 CG LEU A 25 -2.833 11.798 5.484 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.102 10.561 4.640 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.367 11.608 6.896 1.00 0.00 C ATOM 0 H LEU A 25 -1.939 12.787 2.505 1.00 0.00 H new ATOM 0 HA LEU A 25 0.172 13.111 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.811 11.245 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.173 12.934 6.212 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.353 12.642 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.172 10.353 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.757 10.734 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.570 9.709 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.433 11.385 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.841 10.782 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.210 12.521 7.470 1.00 0.00 H new ATOM 343 N ARG A 26 0.640 10.471 4.067 1.00 0.00 N ATOM 344 CA ARG A 26 1.150 9.240 3.475 1.00 0.00 C ATOM 345 C ARG A 26 1.154 8.106 4.497 1.00 0.00 C ATOM 346 O ARG A 26 1.374 8.330 5.688 1.00 0.00 O ATOM 347 CB ARG A 26 2.564 9.457 2.933 1.00 0.00 C ATOM 348 CG ARG A 26 3.105 8.272 2.151 1.00 0.00 C ATOM 349 CD ARG A 26 4.625 8.255 2.144 1.00 0.00 C ATOM 350 NE ARG A 26 5.157 7.051 1.512 1.00 0.00 N ATOM 351 CZ ARG A 26 6.401 6.947 1.057 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.236 7.971 1.164 1.00 0.00 N ATOM 353 NH2 ARG A 26 6.811 5.818 0.495 1.00 0.00 N ATOM 0 H ARG A 26 1.027 10.689 4.985 1.00 0.00 H new ATOM 0 HA ARG A 26 0.491 8.962 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.566 10.337 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.235 9.669 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.732 7.346 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.736 8.312 1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.995 9.134 1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.993 8.319 3.168 1.00 0.00 H new ATOM 0 HE ARG A 26 4.539 6.245 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.924 8.841 1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.191 7.889 0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.171 5.028 0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.766 5.740 0.146 1.00 0.00 H new ATOM 367 N LEU A 27 0.908 6.889 4.023 1.00 0.00 N ATOM 368 CA LEU A 27 0.882 5.720 4.895 1.00 0.00 C ATOM 369 C LEU A 27 2.026 4.767 4.561 1.00 0.00 C ATOM 370 O LEU A 27 2.621 4.848 3.487 1.00 0.00 O ATOM 371 CB LEU A 27 -0.457 4.992 4.765 1.00 0.00 C ATOM 372 CG LEU A 27 -1.635 5.614 5.516 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.941 5.331 4.791 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.691 5.093 6.945 1.00 0.00 C ATOM 0 H LEU A 27 0.724 6.687 3.040 1.00 0.00 H new ATOM 0 HA LEU A 27 1.005 6.061 5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.716 4.935 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.327 3.969 5.117 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.490 6.694 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.767 5.782 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.899 5.754 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.094 4.254 4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.535 5.546 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.811 4.010 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.766 5.350 7.462 1.00 0.00 H new ATOM 386 N ASN A 28 2.326 3.864 5.489 1.00 0.00 N ATOM 387 CA ASN A 28 3.398 2.894 5.293 1.00 0.00 C ATOM 388 C ASN A 28 3.162 1.645 6.136 1.00 0.00 C ATOM 389 O ASN A 28 3.144 1.707 7.365 1.00 0.00 O ATOM 390 CB ASN A 28 4.749 3.517 5.651 1.00 0.00 C ATOM 391 CG ASN A 28 5.136 4.639 4.707 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.868 4.428 3.740 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.646 5.842 4.986 1.00 0.00 N ATOM 0 H ASN A 28 1.842 3.784 6.383 1.00 0.00 H new ATOM 0 HA ASN A 28 3.406 2.605 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.710 3.901 6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.519 2.746 5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.873 6.636 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.043 5.971 5.798 1.00 0.00 H new ATOM 400 N TRP A 29 2.981 0.512 5.466 1.00 0.00 N ATOM 401 CA TRP A 29 2.747 -0.753 6.154 1.00 0.00 C ATOM 402 C TRP A 29 3.661 -1.845 5.611 1.00 0.00 C ATOM 403 O TRP A 29 3.963 -1.877 4.419 1.00 0.00 O ATOM 404 CB TRP A 29 1.284 -1.174 6.004 1.00 0.00 C ATOM 405 CG TRP A 29 0.855 -1.336 4.577 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.848 -2.491 3.849 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.372 -0.307 3.706 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.391 -2.243 2.578 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.091 -0.911 2.465 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.148 1.064 3.854 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.401 -0.189 1.381 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.340 1.779 2.777 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.611 1.152 1.554 1.00 0.00 C ATOM 0 H TRP A 29 2.992 0.443 4.448 1.00 0.00 H new ATOM 0 HA TRP A 29 2.971 -0.611 7.211 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.128 -2.115 6.532 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.648 -0.430 6.485 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.157 -3.458 4.218 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.291 -2.938 1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.353 1.556 4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.610 -0.670 0.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.516 2.840 2.880 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.993 1.738 0.732 1.00 0.00 H new ATOM 424 N GLU A 30 4.098 -2.738 6.494 1.00 0.00 N ATOM 425 CA GLU A 30 4.980 -3.831 6.101 1.00 0.00 C ATOM 426 C GLU A 30 4.187 -5.116 5.878 1.00 0.00 C ATOM 427 O GLU A 30 3.318 -5.468 6.675 1.00 0.00 O ATOM 428 CB GLU A 30 6.052 -4.060 7.168 1.00 0.00 C ATOM 429 CG GLU A 30 7.099 -5.087 6.769 1.00 0.00 C ATOM 430 CD GLU A 30 7.703 -5.798 7.964 1.00 0.00 C ATOM 431 OE1 GLU A 30 6.953 -6.490 8.684 1.00 0.00 O ATOM 432 OE2 GLU A 30 8.926 -5.663 8.179 1.00 0.00 O ATOM 0 H GLU A 30 3.856 -2.726 7.485 1.00 0.00 H new ATOM 0 HA GLU A 30 5.463 -3.555 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.547 -3.113 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.571 -4.384 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.646 -5.822 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.891 -4.593 6.206 1.00 0.00 H new ATOM 439 N ALA A 31 4.492 -5.811 4.787 1.00 0.00 N ATOM 440 CA ALA A 31 3.810 -7.056 4.459 1.00 0.00 C ATOM 441 C ALA A 31 4.766 -8.051 3.809 1.00 0.00 C ATOM 442 O ALA A 31 5.667 -7.682 3.057 1.00 0.00 O ATOM 443 CB ALA A 31 2.626 -6.784 3.543 1.00 0.00 C ATOM 0 H ALA A 31 5.207 -5.532 4.115 1.00 0.00 H new ATOM 0 HA ALA A 31 3.444 -7.496 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.126 -7.723 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.925 -6.116 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.978 -6.318 2.622 1.00 0.00 H new ATOM 449 N PRO A 32 4.566 -9.344 4.106 1.00 0.00 N ATOM 450 CA PRO A 32 5.401 -10.419 3.561 1.00 0.00 C ATOM 451 C PRO A 32 5.178 -10.625 2.066 1.00 0.00 C ATOM 452 O PRO A 32 4.220 -10.118 1.481 1.00 0.00 O ATOM 453 CB PRO A 32 4.948 -11.652 4.345 1.00 0.00 C ATOM 454 CG PRO A 32 3.553 -11.342 4.766 1.00 0.00 C ATOM 455 CD PRO A 32 3.510 -9.856 4.995 1.00 0.00 C ATOM 0 HA PRO A 32 6.464 -10.201 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.985 -12.549 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.591 -11.831 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.839 -11.639 3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.290 -11.885 5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.535 -9.439 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.705 -9.604 6.037 1.00 0.00 H new ATOM 463 N PRO A 33 6.081 -11.388 1.432 1.00 0.00 N ATOM 464 CA PRO A 33 6.002 -11.680 -0.002 1.00 0.00 C ATOM 465 C PRO A 33 4.838 -12.604 -0.343 1.00 0.00 C ATOM 466 O PRO A 33 4.515 -13.518 0.414 1.00 0.00 O ATOM 467 CB PRO A 33 7.336 -12.371 -0.297 1.00 0.00 C ATOM 468 CG PRO A 33 7.752 -12.963 1.005 1.00 0.00 C ATOM 469 CD PRO A 33 7.247 -12.025 2.067 1.00 0.00 C ATOM 0 HA PRO A 33 5.832 -10.779 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.223 -13.138 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.077 -11.661 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.331 -13.960 1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.836 -13.066 1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.968 -12.559 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.003 -11.291 2.348 1.00 0.00 H new ATOM 477 N GLY A 34 4.209 -12.358 -1.489 1.00 0.00 N ATOM 478 CA GLY A 34 3.088 -13.177 -1.910 1.00 0.00 C ATOM 479 C GLY A 34 2.031 -13.310 -0.832 1.00 0.00 C ATOM 480 O GLY A 34 1.445 -14.379 -0.656 1.00 0.00 O ATOM 0 H GLY A 34 4.456 -11.606 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.639 -12.742 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.449 -14.168 -2.185 1.00 0.00 H new ATOM 484 N ALA A 35 1.787 -12.224 -0.106 1.00 0.00 N ATOM 485 CA ALA A 35 0.793 -12.224 0.960 1.00 0.00 C ATOM 486 C ALA A 35 -0.592 -11.883 0.420 1.00 0.00 C ATOM 487 O ALA A 35 -1.511 -12.700 0.481 1.00 0.00 O ATOM 488 CB ALA A 35 1.192 -11.245 2.053 1.00 0.00 C ATOM 0 H ALA A 35 2.265 -11.332 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 35 0.751 -13.227 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.441 -11.255 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.158 -11.536 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.264 -10.241 1.634 1.00 0.00 H new ATOM 494 N PHE A 36 -0.734 -10.671 -0.106 1.00 0.00 N ATOM 495 CA PHE A 36 -2.008 -10.221 -0.655 1.00 0.00 C ATOM 496 C PHE A 36 -1.842 -9.743 -2.095 1.00 0.00 C ATOM 497 O PHE A 36 -0.784 -9.241 -2.475 1.00 0.00 O ATOM 498 CB PHE A 36 -2.589 -9.096 0.204 1.00 0.00 C ATOM 499 CG PHE A 36 -2.372 -9.293 1.677 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.266 -10.039 2.428 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.274 -8.734 2.310 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.069 -10.221 3.784 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.071 -8.913 3.665 1.00 0.00 C ATOM 504 CZ PHE A 36 -1.970 -9.659 4.403 1.00 0.00 C ATOM 0 H PHE A 36 0.017 -9.983 -0.164 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.696 -11.066 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.139 -8.150 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.659 -9.017 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.126 -10.483 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.568 -8.151 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.774 -10.803 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.211 -8.471 4.146 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.813 -9.802 5.462 1.00 0.00 H new ATOM 514 N ASP A 37 -2.893 -9.905 -2.890 1.00 0.00 N ATOM 515 CA ASP A 37 -2.865 -9.490 -4.288 1.00 0.00 C ATOM 516 C ASP A 37 -2.815 -7.969 -4.403 1.00 0.00 C ATOM 517 O ASP A 37 -2.035 -7.421 -5.182 1.00 0.00 O ATOM 518 CB ASP A 37 -4.090 -10.029 -5.027 1.00 0.00 C ATOM 519 CG ASP A 37 -4.289 -9.369 -6.378 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.730 -8.202 -6.407 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.005 -10.021 -7.405 1.00 0.00 O ATOM 0 H ASP A 37 -3.775 -10.321 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.965 -9.901 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.984 -11.105 -5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.978 -9.872 -4.415 1.00 0.00 H new ATOM 526 N SER A 38 -3.653 -7.294 -3.623 1.00 0.00 N ATOM 527 CA SER A 38 -3.708 -5.837 -3.640 1.00 0.00 C ATOM 528 C SER A 38 -4.089 -5.291 -2.267 1.00 0.00 C ATOM 529 O SER A 38 -4.332 -6.052 -1.330 1.00 0.00 O ATOM 530 CB SER A 38 -4.713 -5.356 -4.689 1.00 0.00 C ATOM 531 OG SER A 38 -5.964 -6.003 -4.531 1.00 0.00 O ATOM 0 H SER A 38 -4.303 -7.733 -2.971 1.00 0.00 H new ATOM 0 HA SER A 38 -2.717 -5.464 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.845 -4.277 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.323 -5.551 -5.688 1.00 0.00 H new ATOM 0 HG SER A 38 -5.971 -6.833 -5.053 1.00 0.00 H new ATOM 537 N PHE A 39 -4.138 -3.968 -2.157 1.00 0.00 N ATOM 538 CA PHE A 39 -4.488 -3.319 -0.899 1.00 0.00 C ATOM 539 C PHE A 39 -5.543 -2.238 -1.119 1.00 0.00 C ATOM 540 O PHE A 39 -5.322 -1.282 -1.863 1.00 0.00 O ATOM 541 CB PHE A 39 -3.243 -2.707 -0.252 1.00 0.00 C ATOM 542 CG PHE A 39 -2.427 -3.696 0.530 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.966 -4.343 1.630 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.120 -3.978 0.165 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.217 -5.254 2.352 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.367 -4.888 0.883 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.916 -5.526 1.978 1.00 0.00 C ATOM 0 H PHE A 39 -3.940 -3.324 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.901 -4.076 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.619 -2.267 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.548 -1.896 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.983 -4.133 1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.685 -3.481 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.649 -5.752 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.650 -5.100 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.329 -6.236 2.541 1.00 0.00 H new ATOM 557 N LEU A 40 -6.690 -2.399 -0.469 1.00 0.00 N ATOM 558 CA LEU A 40 -7.781 -1.438 -0.593 1.00 0.00 C ATOM 559 C LEU A 40 -7.908 -0.592 0.670 1.00 0.00 C ATOM 560 O LEU A 40 -8.379 -1.068 1.703 1.00 0.00 O ATOM 561 CB LEU A 40 -9.098 -2.166 -0.868 1.00 0.00 C ATOM 562 CG LEU A 40 -10.278 -1.285 -1.281 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.962 -0.537 -2.567 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.537 -2.123 -1.445 1.00 0.00 C ATOM 0 H LEU A 40 -6.889 -3.186 0.149 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.557 -0.776 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.926 -2.901 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.379 -2.718 0.029 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.453 -0.553 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.813 0.084 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.086 0.094 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.760 -1.253 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.366 -1.480 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.374 -2.879 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.774 -2.612 -0.500 1.00 0.00 H new ATOM 576 N LEU A 41 -7.487 0.664 0.578 1.00 0.00 N ATOM 577 CA LEU A 41 -7.556 1.578 1.713 1.00 0.00 C ATOM 578 C LEU A 41 -8.875 2.345 1.715 1.00 0.00 C ATOM 579 O LEU A 41 -9.303 2.866 0.686 1.00 0.00 O ATOM 580 CB LEU A 41 -6.383 2.559 1.675 1.00 0.00 C ATOM 581 CG LEU A 41 -6.321 3.577 2.815 1.00 0.00 C ATOM 582 CD1 LEU A 41 -6.053 2.879 4.139 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.254 4.625 2.536 1.00 0.00 C ATOM 0 H LEU A 41 -7.094 1.073 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.499 0.988 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.456 1.986 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.421 3.103 0.731 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.286 4.079 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.012 3.619 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.853 2.167 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.102 2.350 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.224 5.341 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.283 4.139 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.490 5.147 1.608 1.00 0.00 H new ATOM 595 N ARG A 42 -9.512 2.412 2.880 1.00 0.00 N ATOM 596 CA ARG A 42 -10.782 3.116 3.016 1.00 0.00 C ATOM 597 C ARG A 42 -10.680 4.221 4.063 1.00 0.00 C ATOM 598 O ARG A 42 -10.464 3.953 5.245 1.00 0.00 O ATOM 599 CB ARG A 42 -11.894 2.137 3.398 1.00 0.00 C ATOM 600 CG ARG A 42 -12.500 1.411 2.209 1.00 0.00 C ATOM 601 CD ARG A 42 -13.607 0.462 2.641 1.00 0.00 C ATOM 602 NE ARG A 42 -14.392 -0.017 1.507 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.374 -0.905 1.615 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.690 -1.408 2.800 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.042 -1.292 0.535 1.00 0.00 N ATOM 0 H ARG A 42 -9.170 1.988 3.742 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.023 3.570 2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.495 1.402 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.681 2.680 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.898 2.138 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.723 0.852 1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.171 -0.389 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.264 0.969 3.348 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.174 0.350 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.179 -1.113 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.445 -2.090 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.801 -0.907 -0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.796 -1.974 0.619 1.00 0.00 H new ATOM 619 N PHE A 43 -10.838 5.464 3.621 1.00 0.00 N ATOM 620 CA PHE A 43 -10.763 6.610 4.520 1.00 0.00 C ATOM 621 C PHE A 43 -12.108 7.325 4.603 1.00 0.00 C ATOM 622 O PHE A 43 -12.589 7.882 3.617 1.00 0.00 O ATOM 623 CB PHE A 43 -9.682 7.586 4.047 1.00 0.00 C ATOM 624 CG PHE A 43 -9.662 7.783 2.558 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.312 6.742 1.713 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.994 9.009 2.004 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.293 6.920 0.342 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.977 9.192 0.634 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.625 8.147 -0.198 1.00 0.00 C ATOM 0 H PHE A 43 -11.019 5.704 2.646 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.504 6.245 5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.837 8.550 4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.707 7.221 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.051 5.781 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.269 9.830 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.019 6.101 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.239 10.152 0.214 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.609 8.289 -1.268 1.00 0.00 H new ATOM 639 N GLY A 44 -12.711 7.304 5.788 1.00 0.00 N ATOM 640 CA GLY A 44 -13.995 7.953 5.979 1.00 0.00 C ATOM 641 C GLY A 44 -13.950 9.023 7.051 1.00 0.00 C ATOM 642 O GLY A 44 -13.021 9.066 7.858 1.00 0.00 O ATOM 0 H GLY A 44 -12.333 6.849 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.317 8.399 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.740 7.205 6.248 1.00 0.00 H new ATOM 646 N VAL A 45 -14.956 9.893 7.059 1.00 0.00 N ATOM 647 CA VAL A 45 -15.027 10.969 8.040 1.00 0.00 C ATOM 648 C VAL A 45 -15.830 10.545 9.264 1.00 0.00 C ATOM 649 O VAL A 45 -17.056 10.435 9.226 1.00 0.00 O ATOM 650 CB VAL A 45 -15.663 12.236 7.437 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.473 13.424 8.368 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.074 12.525 6.064 1.00 0.00 C ATOM 0 H VAL A 45 -15.732 9.873 6.397 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.003 11.192 8.340 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.733 12.064 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.929 14.310 7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.946 13.214 9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.408 13.601 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.534 13.423 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.998 12.677 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.267 11.682 5.401 1.00 0.00 H new ATOM 662 N PRO A 46 -15.125 10.301 10.379 1.00 0.00 N ATOM 663 CA PRO A 46 -15.752 9.886 11.637 1.00 0.00 C ATOM 664 C PRO A 46 -16.562 11.006 12.279 1.00 0.00 C ATOM 665 O PRO A 46 -16.004 11.997 12.752 1.00 0.00 O ATOM 666 CB PRO A 46 -14.559 9.514 12.522 1.00 0.00 C ATOM 667 CG PRO A 46 -13.422 10.308 11.977 1.00 0.00 C ATOM 668 CD PRO A 46 -13.661 10.412 10.496 1.00 0.00 C ATOM 0 HA PRO A 46 -16.461 9.072 11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.749 9.760 13.567 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.352 8.445 12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.381 11.296 12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.470 9.820 12.185 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.296 11.358 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.153 9.617 9.950 1.00 0.00 H new ATOM 923 N GLU A 62 -11.344 5.306 -2.303 1.00 0.00 N ATOM 924 CA GLU A 62 -10.436 4.251 -1.869 1.00 0.00 C ATOM 925 C GLU A 62 -9.194 4.203 -2.755 1.00 0.00 C ATOM 926 O GLU A 62 -9.218 4.655 -3.901 1.00 0.00 O ATOM 927 CB GLU A 62 -11.145 2.895 -1.893 1.00 0.00 C ATOM 928 CG GLU A 62 -12.463 2.885 -1.138 1.00 0.00 C ATOM 929 CD GLU A 62 -13.601 3.486 -1.941 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.949 2.915 -2.995 1.00 0.00 O ATOM 931 OE2 GLU A 62 -14.142 4.527 -1.513 1.00 0.00 O ATOM 0 HA GLU A 62 -10.125 4.473 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.327 2.608 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.484 2.141 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.715 1.859 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.348 3.440 -0.207 1.00 0.00 H new ATOM 938 N LEU A 63 -8.111 3.654 -2.217 1.00 0.00 N ATOM 939 CA LEU A 63 -6.859 3.547 -2.957 1.00 0.00 C ATOM 940 C LEU A 63 -6.602 2.107 -3.389 1.00 0.00 C ATOM 941 O LEU A 63 -7.071 1.165 -2.750 1.00 0.00 O ATOM 942 CB LEU A 63 -5.694 4.051 -2.103 1.00 0.00 C ATOM 943 CG LEU A 63 -4.418 4.421 -2.860 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.514 5.836 -3.409 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.202 4.279 -1.956 1.00 0.00 C ATOM 0 H LEU A 63 -8.075 3.276 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.941 4.165 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.029 4.926 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.448 3.283 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.304 3.735 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.597 6.082 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.362 5.905 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.652 6.537 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.303 4.546 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.308 4.941 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.123 3.248 -1.612 1.00 0.00 H new ATOM 957 N MET A 64 -5.854 1.944 -4.474 1.00 0.00 N ATOM 958 CA MET A 64 -5.532 0.618 -4.989 1.00 0.00 C ATOM 959 C MET A 64 -4.026 0.454 -5.166 1.00 0.00 C ATOM 960 O MET A 64 -3.422 1.073 -6.042 1.00 0.00 O ATOM 961 CB MET A 64 -6.243 0.378 -6.322 1.00 0.00 C ATOM 962 CG MET A 64 -6.550 -1.086 -6.592 1.00 0.00 C ATOM 963 SD MET A 64 -8.017 -1.309 -7.618 1.00 0.00 S ATOM 964 CE MET A 64 -9.110 -2.141 -6.468 1.00 0.00 C ATOM 0 H MET A 64 -5.459 2.714 -5.014 1.00 0.00 H new ATOM 0 HA MET A 64 -5.877 -0.119 -4.264 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.174 0.944 -6.335 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.623 0.766 -7.130 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.694 -1.548 -7.083 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.692 -1.605 -5.644 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.021 -2.443 -6.985 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.612 -3.023 -6.066 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.363 -1.464 -5.652 1.00 0.00 H new ATOM 974 N VAL A 65 -3.423 -0.383 -4.327 1.00 0.00 N ATOM 975 CA VAL A 65 -1.988 -0.629 -4.392 1.00 0.00 C ATOM 976 C VAL A 65 -1.679 -2.118 -4.281 1.00 0.00 C ATOM 977 O VAL A 65 -2.260 -2.839 -3.469 1.00 0.00 O ATOM 978 CB VAL A 65 -1.239 0.124 -3.276 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.165 0.493 -3.730 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.015 1.363 -2.856 1.00 0.00 C ATOM 0 H VAL A 65 -3.907 -0.902 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.648 -0.262 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.154 -0.534 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.679 1.024 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.718 -0.414 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.106 1.133 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.471 1.883 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.133 2.026 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.998 1.069 -2.487 1.00 0.00 H new ATOM 990 N PRO A 66 -0.742 -2.592 -5.115 1.00 0.00 N ATOM 991 CA PRO A 66 -0.333 -3.999 -5.129 1.00 0.00 C ATOM 992 C PRO A 66 0.444 -4.390 -3.877 1.00 0.00 C ATOM 993 O PRO A 66 1.222 -3.600 -3.346 1.00 0.00 O ATOM 994 CB PRO A 66 0.563 -4.096 -6.367 1.00 0.00 C ATOM 995 CG PRO A 66 1.085 -2.715 -6.565 1.00 0.00 C ATOM 996 CD PRO A 66 -0.008 -1.789 -6.108 1.00 0.00 C ATOM 0 HA PRO A 66 -1.190 -4.672 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.374 -4.808 -6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.001 -4.435 -7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.997 -2.556 -5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.334 -2.538 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.396 -0.877 -5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.651 -1.487 -6.935 1.00 0.00 H new ATOM 1004 N GLY A 67 0.227 -5.616 -3.410 1.00 0.00 N ATOM 1005 CA GLY A 67 0.915 -6.091 -2.223 1.00 0.00 C ATOM 1006 C GLY A 67 2.355 -5.622 -2.162 1.00 0.00 C ATOM 1007 O GLY A 67 2.817 -5.142 -1.126 1.00 0.00 O ATOM 0 H GLY A 67 -0.413 -6.289 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.385 -5.744 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.890 -7.181 -2.203 1.00 0.00 H new ATOM 1011 N THR A 68 3.070 -5.762 -3.275 1.00 0.00 N ATOM 1012 CA THR A 68 4.467 -5.352 -3.343 1.00 0.00 C ATOM 1013 C THR A 68 4.645 -3.923 -2.843 1.00 0.00 C ATOM 1014 O THR A 68 5.614 -3.615 -2.149 1.00 0.00 O ATOM 1015 CB THR A 68 5.012 -5.454 -4.780 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.405 -5.120 -4.799 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.250 -4.528 -5.715 1.00 0.00 C ATOM 0 H THR A 68 2.704 -6.156 -4.141 1.00 0.00 H new ATOM 0 HA THR A 68 5.028 -6.031 -2.701 1.00 0.00 H new ATOM 0 HB THR A 68 4.879 -6.480 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.745 -5.188 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.653 -4.618 -6.724 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.195 -4.803 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.355 -3.499 -5.373 1.00 0.00 H new ATOM 1025 N ARG A 69 3.705 -3.055 -3.200 1.00 0.00 N ATOM 1026 CA ARG A 69 3.759 -1.657 -2.787 1.00 0.00 C ATOM 1027 C ARG A 69 2.884 -1.418 -1.561 1.00 0.00 C ATOM 1028 O ARG A 69 1.690 -1.716 -1.570 1.00 0.00 O ATOM 1029 CB ARG A 69 3.311 -0.748 -3.933 1.00 0.00 C ATOM 1030 CG ARG A 69 4.457 -0.234 -4.788 1.00 0.00 C ATOM 1031 CD ARG A 69 3.956 0.648 -5.921 1.00 0.00 C ATOM 1032 NE ARG A 69 5.035 1.053 -6.817 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.868 1.883 -7.841 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.671 2.393 -8.096 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.899 2.205 -8.611 1.00 0.00 N ATOM 0 H ARG A 69 2.897 -3.294 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 69 4.791 -1.420 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.613 -1.295 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.768 0.102 -3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.151 0.331 -4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.011 -1.077 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.195 0.112 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.478 1.535 -5.506 1.00 0.00 H new ATOM 0 HE ARG A 69 5.968 0.678 -6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.876 2.148 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.545 3.030 -8.883 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.822 1.815 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.769 2.842 -9.397 1.00 0.00 H new ATOM 1049 N HIS A 70 3.488 -0.879 -0.506 1.00 0.00 N ATOM 1050 CA HIS A 70 2.763 -0.599 0.729 1.00 0.00 C ATOM 1051 C HIS A 70 2.749 0.898 1.023 1.00 0.00 C ATOM 1052 O HIS A 70 3.361 1.356 1.988 1.00 0.00 O ATOM 1053 CB HIS A 70 3.396 -1.355 1.898 1.00 0.00 C ATOM 1054 CG HIS A 70 4.040 -2.646 1.498 1.00 0.00 C ATOM 1055 ND1 HIS A 70 5.383 -2.759 1.208 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.518 -3.885 1.342 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.659 -4.011 0.890 1.00 0.00 C ATOM 1058 NE2 HIS A 70 4.545 -4.715 0.964 1.00 0.00 N ATOM 0 H HIS A 70 4.476 -0.628 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 70 1.734 -0.936 0.603 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.143 -0.717 2.371 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.630 -1.557 2.647 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.486 -4.168 1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.631 -4.394 0.616 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.461 -5.713 0.772 1.00 0.00 H new ATOM 1067 N SER A 71 2.048 1.654 0.185 1.00 0.00 N ATOM 1068 CA SER A 71 1.958 3.100 0.353 1.00 0.00 C ATOM 1069 C SER A 71 0.556 3.600 0.016 1.00 0.00 C ATOM 1070 O SER A 71 -0.132 3.029 -0.829 1.00 0.00 O ATOM 1071 CB SER A 71 2.989 3.803 -0.532 1.00 0.00 C ATOM 1072 OG SER A 71 2.861 3.398 -1.884 1.00 0.00 O ATOM 0 H SER A 71 1.534 1.290 -0.617 1.00 0.00 H new ATOM 0 HA SER A 71 2.167 3.333 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.860 4.883 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.994 3.577 -0.175 1.00 0.00 H new ATOM 0 HG SER A 71 3.530 3.863 -2.429 1.00 0.00 H new ATOM 1078 N ALA A 72 0.141 4.671 0.684 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.177 5.251 0.455 1.00 0.00 C ATOM 1080 C ALA A 72 -1.190 6.737 0.796 1.00 0.00 C ATOM 1081 O ALA A 72 -0.852 7.131 1.911 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.228 4.511 1.270 1.00 0.00 C ATOM 0 H ALA A 72 0.698 5.155 1.388 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.414 5.146 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.207 4.955 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.245 3.462 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.986 4.586 2.330 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.583 7.558 -0.173 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.641 9.001 0.024 1.00 0.00 C ATOM 1090 C VAL A 73 -3.041 9.538 -0.249 1.00 0.00 C ATOM 1091 O VAL A 73 -3.563 9.407 -1.358 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.636 9.733 -0.885 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.696 11.234 -0.648 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.772 9.205 -0.656 1.00 0.00 C ATOM 0 H VAL A 73 -1.866 7.248 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.380 9.188 1.066 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.907 9.542 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.021 11.734 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.700 11.597 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.452 11.448 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.469 9.733 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.055 9.364 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.802 8.139 -0.882 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.646 10.143 0.767 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.988 10.701 0.637 1.00 0.00 C ATOM 1106 C LEU A 74 -4.933 12.215 0.465 1.00 0.00 C ATOM 1107 O LEU A 74 -4.303 12.918 1.256 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.830 10.346 1.863 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.997 8.854 2.154 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.441 8.112 0.903 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.700 8.267 2.692 1.00 0.00 C ATOM 0 H LEU A 74 -3.229 10.260 1.690 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.450 10.269 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.380 10.818 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.820 10.784 1.738 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.769 8.736 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.554 7.052 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.395 8.514 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.693 8.238 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.837 7.205 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.908 8.397 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.424 8.778 3.614 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.598 12.712 -0.573 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.626 14.143 -0.848 1.00 0.00 C ATOM 1125 C ARG A 75 -7.030 14.708 -0.651 1.00 0.00 C ATOM 1126 O ARG A 75 -7.989 13.960 -0.462 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.150 14.419 -2.276 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.710 14.003 -2.529 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.307 14.242 -3.975 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.387 15.654 -4.340 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.101 16.118 -5.551 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.719 15.286 -6.510 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.199 17.416 -5.806 1.00 0.00 N ATOM 0 H ARG A 75 -6.124 12.144 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.953 14.635 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.800 13.892 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.254 15.484 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.047 14.562 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.587 12.948 -2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.289 13.884 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.954 13.661 -4.632 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.679 16.321 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.644 14.287 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.500 15.645 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.494 18.059 -5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.979 17.771 -6.737 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.142 16.031 -0.696 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.428 16.696 -0.523 1.00 0.00 C ATOM 1149 C ASP A 76 -8.994 16.430 0.868 1.00 0.00 C ATOM 1150 O ASP A 76 -10.183 16.146 1.023 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.418 16.223 -1.589 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.321 17.031 -2.868 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -9.492 18.266 -2.804 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.076 16.427 -3.934 1.00 0.00 O ATOM 0 H ASP A 76 -6.357 16.664 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.272 17.769 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.233 15.172 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.432 16.292 -1.195 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.136 16.524 1.878 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.550 16.293 3.258 1.00 0.00 C ATOM 1161 C LEU A 77 -8.818 17.613 3.974 1.00 0.00 C ATOM 1162 O LEU A 77 -8.627 18.688 3.406 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.477 15.501 4.007 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.000 14.214 3.334 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.995 13.490 4.217 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.181 13.309 3.015 1.00 0.00 C ATOM 0 H LEU A 77 -7.149 16.759 1.767 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.474 15.715 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.614 16.150 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.863 15.249 4.995 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.507 14.478 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.667 12.576 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.135 14.136 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.462 13.238 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.822 12.398 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.703 13.053 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.865 13.827 2.343 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.259 17.522 5.224 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.552 18.709 6.019 1.00 0.00 C ATOM 1180 C ARG A 78 -8.316 19.167 6.789 1.00 0.00 C ATOM 1181 O ARG A 78 -7.319 18.449 6.865 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.697 18.427 6.993 1.00 0.00 C ATOM 1183 CG ARG A 78 -12.068 18.429 6.338 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.181 18.398 7.374 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.215 19.617 8.177 1.00 0.00 N ATOM 1186 CZ ARG A 78 -13.638 20.790 7.717 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.060 20.900 6.465 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -13.639 21.854 8.509 1.00 0.00 N ATOM 0 H ARG A 78 -9.421 16.639 5.708 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.851 19.506 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.531 17.459 7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.681 19.175 7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.174 19.318 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.159 17.566 5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.140 18.268 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.044 17.537 8.028 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.896 19.565 9.145 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.060 20.084 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.384 21.801 6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.315 21.773 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.964 22.753 8.154 1.00 0.00 H new ATOM 1202 N SER A 79 -8.389 20.366 7.356 1.00 0.00 N ATOM 1203 CA SER A 79 -7.276 20.922 8.116 1.00 0.00 C ATOM 1204 C SER A 79 -7.364 20.517 9.584 1.00 0.00 C ATOM 1205 O SER A 79 -8.420 20.621 10.206 1.00 0.00 O ATOM 1206 CB SER A 79 -7.259 22.447 7.996 1.00 0.00 C ATOM 1207 OG SER A 79 -8.247 23.034 8.826 1.00 0.00 O ATOM 0 H SER A 79 -9.208 20.972 7.304 1.00 0.00 H new ATOM 0 HA SER A 79 -6.351 20.522 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.275 22.826 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.432 22.736 6.959 1.00 0.00 H new ATOM 0 HG SER A 79 -8.215 24.009 8.733 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.245 20.052 10.132 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.216 19.638 11.523 1.00 0.00 C ATOM 1215 C GLY A 80 -7.425 18.808 11.905 1.00 0.00 C ATOM 1216 O GLY A 80 -8.134 19.131 12.860 1.00 0.00 O ATOM 0 H GLY A 80 -5.358 19.955 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.310 19.061 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.169 20.521 12.161 1.00 0.00 H new ATOM 1220 N THR A 81 -7.666 17.735 11.158 1.00 0.00 N ATOM 1221 CA THR A 81 -8.799 16.858 11.422 1.00 0.00 C ATOM 1222 C THR A 81 -8.355 15.404 11.534 1.00 0.00 C ATOM 1223 O THR A 81 -7.382 14.991 10.902 1.00 0.00 O ATOM 1224 CB THR A 81 -9.868 16.974 10.319 1.00 0.00 C ATOM 1225 OG1 THR A 81 -9.928 18.320 9.834 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.234 16.556 10.843 1.00 0.00 C ATOM 0 H THR A 81 -7.091 17.453 10.365 1.00 0.00 H new ATOM 0 HA THR A 81 -9.231 17.176 12.371 1.00 0.00 H new ATOM 0 HB THR A 81 -9.590 16.307 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.828 18.680 9.979 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.972 16.646 10.046 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.192 15.521 11.183 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.517 17.201 11.675 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.075 14.631 12.339 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.755 13.220 12.533 1.00 0.00 C ATOM 1236 C LEU A 82 -9.574 12.342 11.592 1.00 0.00 C ATOM 1237 O LEU A 82 -10.804 12.331 11.651 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.014 12.813 13.984 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.483 11.441 14.401 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.982 10.364 13.451 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.962 11.450 14.449 1.00 0.00 C ATOM 0 H LEU A 82 -9.884 14.957 12.868 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.699 13.077 12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.571 13.566 14.636 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.090 12.833 14.160 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.857 11.216 15.400 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.594 9.395 13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.072 10.341 13.467 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.639 10.583 12.440 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.602 10.466 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.568 11.697 13.463 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.625 12.194 15.171 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.885 11.607 10.727 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.548 10.725 9.774 1.00 0.00 C ATOM 1255 C TYR A 83 -9.351 9.262 10.156 1.00 0.00 C ATOM 1256 O TYR A 83 -8.331 8.893 10.739 1.00 0.00 O ATOM 1257 CB TYR A 83 -9.013 10.972 8.362 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.699 12.113 7.646 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.278 13.425 7.824 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.768 11.879 6.789 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.902 14.471 7.172 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.397 12.919 6.132 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.961 14.213 6.327 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.584 15.251 5.674 1.00 0.00 O ATOM 0 H TYR A 83 -7.867 11.604 10.666 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.615 10.946 9.795 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.944 11.180 8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.130 10.062 7.774 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.448 13.631 8.484 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -11.113 10.867 6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.562 15.485 7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.226 12.720 5.469 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.309 14.899 5.117 1.00 0.00 H new ATOM 1274 N SER A 84 -10.334 8.432 9.823 1.00 0.00 N ATOM 1275 CA SER A 84 -10.271 7.009 10.134 1.00 0.00 C ATOM 1276 C SER A 84 -9.937 6.195 8.887 1.00 0.00 C ATOM 1277 O SER A 84 -10.764 6.049 7.986 1.00 0.00 O ATOM 1278 CB SER A 84 -11.601 6.535 10.724 1.00 0.00 C ATOM 1279 OG SER A 84 -11.604 5.130 10.911 1.00 0.00 O ATOM 0 H SER A 84 -11.184 8.720 9.338 1.00 0.00 H new ATOM 0 HA SER A 84 -9.481 6.858 10.869 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.777 7.032 11.678 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.418 6.819 10.061 1.00 0.00 H new ATOM 0 HG SER A 84 -12.464 4.852 11.290 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.719 5.666 8.843 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.273 4.866 7.707 1.00 0.00 C ATOM 1287 C LEU A 85 -8.420 3.377 7.999 1.00 0.00 C ATOM 1288 O LEU A 85 -8.370 2.951 9.154 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.817 5.190 7.371 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.388 6.644 7.574 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.871 6.756 7.590 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.979 7.532 6.488 1.00 0.00 C ATOM 0 H LEU A 85 -8.023 5.776 9.580 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.901 5.113 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.174 4.554 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.637 4.921 6.330 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.767 6.983 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.585 7.798 7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.470 6.152 8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.470 6.398 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.663 8.563 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.631 7.194 5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.067 7.476 6.524 1.00 0.00 H new ATOM 1304 N THR A 86 -8.600 2.587 6.945 1.00 0.00 N ATOM 1305 CA THR A 86 -8.753 1.145 7.088 1.00 0.00 C ATOM 1306 C THR A 86 -8.257 0.413 5.845 1.00 0.00 C ATOM 1307 O THR A 86 -8.918 0.415 4.806 1.00 0.00 O ATOM 1308 CB THR A 86 -10.222 0.758 7.345 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.764 1.566 8.395 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.337 -0.712 7.718 1.00 0.00 C ATOM 0 H THR A 86 -8.643 2.922 5.983 1.00 0.00 H new ATOM 0 HA THR A 86 -8.151 0.848 7.947 1.00 0.00 H new ATOM 0 HB THR A 86 -10.786 0.928 6.428 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.698 1.315 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.383 -0.962 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.950 -1.325 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.760 -0.904 8.623 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.090 -0.211 5.959 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.505 -0.948 4.844 1.00 0.00 C ATOM 1320 C LEU A 87 -7.027 -2.381 4.805 1.00 0.00 C ATOM 1321 O LEU A 87 -7.359 -2.960 5.840 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.979 -0.951 4.953 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.216 -1.308 3.678 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.179 -0.121 2.728 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.805 -1.770 4.012 1.00 0.00 C ATOM 0 H LEU A 87 -6.530 -0.222 6.812 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.795 -0.450 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.656 0.037 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.692 -1.655 5.734 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.737 -2.127 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.632 -0.394 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.197 0.164 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.682 0.719 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.277 -2.020 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.274 -0.972 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.853 -2.650 4.654 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.093 -2.948 3.606 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.574 -4.314 3.432 1.00 0.00 C ATOM 1339 C TYR A 88 -6.590 -5.137 2.606 1.00 0.00 C ATOM 1340 O TYR A 88 -6.204 -4.744 1.506 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.947 -4.311 2.757 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.090 -4.051 3.711 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.628 -5.076 4.479 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.633 -2.779 3.844 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.673 -4.843 5.351 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.678 -2.536 4.715 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.195 -3.571 5.466 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.235 -3.334 6.335 1.00 0.00 O ATOM 0 H TYR A 88 -6.820 -2.483 2.740 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.662 -4.770 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.957 -3.551 1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.104 -5.272 2.268 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.222 -6.073 4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.232 -1.966 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.080 -5.652 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.088 -1.541 4.807 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.484 -2.387 6.297 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.188 -6.284 3.147 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.253 -7.146 2.447 1.00 0.00 C ATOM 1360 C GLY A 89 -5.949 -8.133 1.532 1.00 0.00 C ATOM 1361 O GLY A 89 -6.114 -9.303 1.880 1.00 0.00 O ATOM 0 H GLY A 89 -6.493 -6.631 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.567 -6.534 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.652 -7.691 3.174 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.359 -7.663 0.359 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.043 -8.513 -0.609 1.00 0.00 C ATOM 1367 C LEU A 90 -6.167 -9.695 -1.010 1.00 0.00 C ATOM 1368 O LEU A 90 -5.159 -9.529 -1.698 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.425 -7.703 -1.849 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.713 -6.885 -1.746 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.913 -7.801 -1.560 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.621 -5.885 -0.603 1.00 0.00 C ATOM 0 H LEU A 90 -6.230 -6.698 0.055 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.949 -8.898 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.605 -7.024 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.520 -8.389 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.844 -6.332 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.821 -7.202 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.990 -8.477 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.789 -8.382 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.547 -5.312 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.465 -6.418 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.785 -5.207 -0.779 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.559 -10.889 -0.578 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.810 -12.100 -0.893 1.00 0.00 C ATOM 1386 C ARG A 91 -6.424 -12.825 -2.087 1.00 0.00 C ATOM 1387 O ARG A 91 -6.122 -13.990 -2.341 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.773 -13.032 0.319 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.654 -14.059 0.264 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.959 -15.264 1.141 1.00 0.00 C ATOM 1391 NE ARG A 91 -3.848 -16.211 1.175 1.00 0.00 N ATOM 1392 CZ ARG A 91 -3.629 -17.121 0.232 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -4.439 -17.205 -0.814 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -2.596 -17.948 0.335 1.00 0.00 N ATOM 0 H ARG A 91 -7.391 -11.044 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.792 -11.810 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.661 -12.434 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.728 -13.552 0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.508 -14.385 -0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.720 -13.599 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.180 -14.928 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.852 -15.766 0.769 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.205 -16.172 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.233 -16.570 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.268 -17.905 -1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.970 -17.885 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.428 -18.647 -0.389 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.289 -12.126 -2.816 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.933 -12.719 -3.973 1.00 0.00 C ATOM 1410 C GLY A 92 -9.340 -12.195 -4.186 1.00 0.00 C ATOM 1411 O GLY A 92 -9.549 -11.017 -4.477 1.00 0.00 O ATOM 0 H GLY A 92 -7.555 -11.160 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.335 -12.516 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.966 -13.802 -3.851 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.334 -13.083 -4.041 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.746 -12.727 -4.216 1.00 0.00 C ATOM 1417 C PRO A 93 -12.258 -11.824 -3.100 1.00 0.00 C ATOM 1418 O PRO A 93 -12.953 -10.839 -3.354 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.460 -14.080 -4.180 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.557 -14.965 -3.392 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.158 -14.504 -3.695 1.00 0.00 C ATOM 0 HA PRO A 93 -11.914 -12.166 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.441 -13.998 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.619 -14.471 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.770 -14.890 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.693 -16.010 -3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.499 -14.630 -2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.719 -15.067 -4.519 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.912 -12.165 -1.863 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.336 -11.384 -0.707 1.00 0.00 C ATOM 1431 C HIS A 94 -11.136 -10.966 0.137 1.00 0.00 C ATOM 1432 O HIS A 94 -10.071 -11.580 0.069 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.319 -12.187 0.146 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.656 -13.020 1.200 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -12.917 -12.877 2.546 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -11.738 -14.010 1.099 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -12.188 -13.743 3.228 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.464 -14.442 2.373 1.00 0.00 N ATOM 0 H HIS A 94 -11.339 -12.977 -1.635 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.833 -10.485 -1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.018 -11.500 0.624 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.905 -12.837 -0.504 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.302 -14.389 0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.185 -13.859 4.302 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.808 -15.183 2.619 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.315 -9.916 0.933 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.248 -9.416 1.791 1.00 0.00 C ATOM 1449 C LYS A 95 -9.794 -10.488 2.776 1.00 0.00 C ATOM 1450 O LYS A 95 -10.594 -11.304 3.232 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.717 -8.174 2.552 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.132 -7.026 1.647 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.594 -7.131 1.248 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.207 -5.759 1.012 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.011 -5.298 -0.390 1.00 0.00 N ATOM 0 H LYS A 95 -12.189 -9.395 1.001 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.402 -9.148 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.558 -8.445 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.915 -7.836 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.961 -6.079 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.509 -7.023 0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.683 -7.731 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.149 -7.649 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.273 -5.794 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.760 -5.039 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.443 -4.360 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.994 -5.240 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.460 -5.972 -1.043 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.505 -10.479 3.102 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.946 -11.448 4.036 1.00 0.00 C ATOM 1471 C ALA A 96 -7.678 -10.809 5.395 1.00 0.00 C ATOM 1472 O ALA A 96 -8.070 -11.345 6.431 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.668 -12.049 3.471 1.00 0.00 C ATOM 0 H ALA A 96 -7.829 -9.811 2.733 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.677 -12.244 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.261 -12.771 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.887 -12.550 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.938 -11.258 3.300 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.008 -9.662 5.382 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.687 -8.950 6.613 1.00 0.00 C ATOM 1481 C ASP A 97 -7.161 -7.502 6.543 1.00 0.00 C ATOM 1482 O ASP A 97 -7.518 -7.007 5.474 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.181 -8.995 6.876 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.770 -10.211 7.684 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -4.819 -11.332 7.135 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.400 -10.042 8.864 1.00 0.00 O ATOM 0 H ASP A 97 -6.677 -9.205 4.532 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.206 -9.444 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.649 -8.998 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.881 -8.091 7.407 1.00 0.00 H new ATOM 1491 N SER A 98 -7.162 -6.828 7.689 1.00 0.00 N ATOM 1492 CA SER A 98 -7.597 -5.438 7.758 1.00 0.00 C ATOM 1493 C SER A 98 -6.959 -4.728 8.948 1.00 0.00 C ATOM 1494 O SER A 98 -7.019 -5.213 10.079 1.00 0.00 O ATOM 1495 CB SER A 98 -9.121 -5.363 7.862 1.00 0.00 C ATOM 1496 OG SER A 98 -9.592 -6.078 8.992 1.00 0.00 O ATOM 0 H SER A 98 -6.866 -7.222 8.582 1.00 0.00 H new ATOM 0 HA SER A 98 -7.278 -4.937 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.433 -4.321 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.571 -5.771 6.957 1.00 0.00 H new ATOM 0 HG SER A 98 -8.986 -5.931 9.748 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.349 -3.577 8.685 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.701 -2.800 9.734 1.00 0.00 C ATOM 1504 C ILE A 99 -6.322 -1.412 9.853 1.00 0.00 C ATOM 1505 O ILE A 99 -6.877 -0.886 8.889 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.190 -2.653 9.473 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.489 -2.093 10.713 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.945 -1.756 8.269 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -1.997 -2.343 10.728 1.00 0.00 C ATOM 0 H ILE A 99 -6.290 -3.162 7.755 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.850 -3.343 10.667 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.776 -3.638 9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.670 -1.020 10.769 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.933 -2.538 11.604 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.873 -1.662 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.416 -2.192 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.370 -0.770 8.457 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.566 -1.919 11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.808 -3.416 10.703 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.541 -1.874 9.856 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.223 -0.826 11.041 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.775 0.502 11.286 1.00 0.00 C ATOM 1523 C GLN A 100 -5.666 1.506 11.581 1.00 0.00 C ATOM 1524 O GLN A 100 -4.866 1.313 12.495 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.764 0.459 12.452 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.120 -0.117 12.078 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.185 -1.621 12.258 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -8.656 -2.378 11.444 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -9.835 -2.062 13.329 1.00 0.00 N ATOM 0 H GLN A 100 -5.766 -1.249 11.849 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.300 0.822 10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.336 -0.136 13.259 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.901 1.469 12.839 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.891 0.352 12.690 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.342 0.131 11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.258 -1.398 13.978 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.911 -3.064 13.503 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.624 2.581 10.799 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.609 3.600 10.992 1.00 0.00 C ATOM 1540 C GLY A 101 -5.200 4.988 11.138 1.00 0.00 C ATOM 1541 O GLY A 101 -5.805 5.515 10.203 1.00 0.00 O ATOM 0 H GLY A 101 -6.275 2.764 10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.025 3.362 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.922 3.588 10.146 1.00 0.00 H new ATOM 1545 N THR A 102 -5.028 5.582 12.314 1.00 0.00 N ATOM 1546 CA THR A 102 -5.552 6.916 12.580 1.00 0.00 C ATOM 1547 C THR A 102 -4.464 7.974 12.431 1.00 0.00 C ATOM 1548 O THR A 102 -3.324 7.768 12.848 1.00 0.00 O ATOM 1549 CB THR A 102 -6.155 7.011 13.994 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.247 6.454 14.952 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.486 6.279 14.065 1.00 0.00 C ATOM 0 H THR A 102 -4.530 5.160 13.098 1.00 0.00 H new ATOM 0 HA THR A 102 -6.336 7.100 11.846 1.00 0.00 H new ATOM 0 HB THR A 102 -6.324 8.063 14.223 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.637 6.520 15.849 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.892 6.360 15.073 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.184 6.723 13.356 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.337 5.228 13.817 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.824 9.106 11.836 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.879 10.197 11.635 1.00 0.00 C ATOM 1561 C ALA A 103 -4.593 11.544 11.608 1.00 0.00 C ATOM 1562 O ALA A 103 -5.721 11.650 11.126 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.095 9.987 10.348 1.00 0.00 C ATOM 0 H ALA A 103 -5.763 9.291 11.485 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.183 10.201 12.474 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.393 10.810 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.546 9.047 10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.784 9.953 9.504 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.929 12.571 12.129 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.502 13.912 12.165 1.00 0.00 C ATOM 1571 C ARG A 104 -3.717 14.863 11.267 1.00 0.00 C ATOM 1572 O ARG A 104 -2.528 15.099 11.482 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.517 14.443 13.600 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.440 15.635 13.797 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.215 16.296 15.149 1.00 0.00 C ATOM 1576 NE ARG A 104 -4.196 17.340 15.085 1.00 0.00 N ATOM 1577 CZ ARG A 104 -3.532 17.785 16.146 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -3.779 17.280 17.347 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -2.619 18.738 16.008 1.00 0.00 N ATOM 0 H ARG A 104 -2.995 12.500 12.532 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.526 13.854 11.795 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.823 13.642 14.272 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.504 14.727 13.884 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.272 16.362 13.003 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.478 15.310 13.717 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.152 16.725 15.503 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.916 15.541 15.876 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.982 17.750 14.176 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.480 16.548 17.458 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.268 17.624 18.160 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.426 19.130 15.086 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.110 19.079 16.824 1.00 0.00 H new ATOM 1593 N THR A 105 -4.391 15.408 10.259 1.00 0.00 N ATOM 1594 CA THR A 105 -3.757 16.332 9.327 1.00 0.00 C ATOM 1595 C THR A 105 -3.243 17.573 10.047 1.00 0.00 C ATOM 1596 O THR A 105 -3.445 17.732 11.252 1.00 0.00 O ATOM 1597 CB THR A 105 -4.731 16.764 8.214 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.977 17.176 8.787 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.971 15.627 7.233 1.00 0.00 C ATOM 0 H THR A 105 -5.376 15.225 10.067 1.00 0.00 H new ATOM 0 HA THR A 105 -2.917 15.802 8.879 1.00 0.00 H new ATOM 0 HB THR A 105 -4.284 17.600 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.413 17.822 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.662 15.956 6.457 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.025 15.334 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.398 14.775 7.761 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.579 18.450 9.303 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.036 19.680 9.871 1.00 0.00 C ATOM 1609 C LEU A 106 -2.980 20.854 9.630 1.00 0.00 C ATOM 1610 O LEU A 106 -3.738 20.865 8.661 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.664 19.981 9.267 1.00 0.00 C ATOM 1612 CG LEU A 106 0.460 19.012 9.636 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.752 19.401 8.935 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.658 18.975 11.144 1.00 0.00 C ATOM 0 H LEU A 106 -2.403 18.333 8.305 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.929 19.539 10.947 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.762 19.995 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.367 20.984 9.573 1.00 0.00 H new ATOM 0 HG LEU A 106 0.177 18.013 9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.540 18.700 9.210 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.603 19.374 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.041 20.408 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.462 18.280 11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.918 19.971 11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.264 18.647 11.624 1.00 0.00 H new ATOM 1626 N SER A 107 -2.925 21.841 10.518 1.00 0.00 N ATOM 1627 CA SER A 107 -3.776 23.020 10.403 1.00 0.00 C ATOM 1628 C SER A 107 -3.264 23.955 9.312 1.00 0.00 C ATOM 1629 O SER A 107 -4.046 24.570 8.588 1.00 0.00 O ATOM 1630 CB SER A 107 -3.838 23.763 11.739 1.00 0.00 C ATOM 1631 OG SER A 107 -4.792 24.810 11.697 1.00 0.00 O ATOM 0 H SER A 107 -2.301 21.848 11.325 1.00 0.00 H new ATOM 0 HA SER A 107 -4.779 22.689 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.095 23.065 12.535 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.856 24.171 11.978 1.00 0.00 H new ATOM 0 HG SER A 107 -4.813 25.268 12.563 1.00 0.00 H new