USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 74 ASN :FLIP amide:sc= -0.349 F(o=-1.4,f=-0.69) USER MOD Set 1.2: A 93 SER OG : rot -13:sc= -0.342 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 14 THR OG1 : rot 118:sc= 0.00488 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -171:sc= 0.42 USER MOD Single : A 32 GLN : amide:sc= -6.62! C(o=-6.6!,f=-7.5!) USER MOD Single : A 34 GLN : amide:sc= -0.0923 K(o=-0.092,f=-0.61) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -106:sc= 0.624 USER MOD Single : A 61 CYS SG : rot 79:sc= 0.476 USER MOD Single : A 65 GLN : amide:sc= -0.0452 K(o=-0.045,f=-1.6) USER MOD Single : A 71 MET CE :methyl -118:sc= 0 (180deg=-1.77!) USER MOD Single : A 78 THR OG1 : rot 164:sc= -1.37 USER MOD Single : A 81 SER OG : rot 180:sc= 0.11 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.849 X(o=-0.85,f=-0.51) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -26:sc= 0.475 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.487 -11.915 -1.414 1.00 0.00 N ATOM 133 CA HIS A 13 13.347 -10.924 -0.361 1.00 0.00 C ATOM 134 C HIS A 13 12.320 -9.870 -0.782 1.00 0.00 C ATOM 135 O HIS A 13 11.950 -9.792 -1.952 1.00 0.00 O ATOM 136 CB HIS A 13 14.704 -10.318 0.000 1.00 0.00 C ATOM 137 CG HIS A 13 15.350 -9.543 -1.124 1.00 0.00 C ATOM 138 ND1 HIS A 13 15.987 -10.157 -2.188 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.448 -8.200 -1.339 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.446 -9.216 -3.000 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.111 -8.004 -2.472 1.00 0.00 N ATOM 0 HA HIS A 13 12.976 -11.402 0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.579 -9.657 0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.377 -11.118 0.309 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.053 -7.427 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 13 16.990 -9.380 -3.919 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.333 -7.096 -2.881 1.00 0.00 H new ATOM 149 N THR A 14 11.889 -9.087 0.196 1.00 0.00 N ATOM 150 CA THR A 14 10.913 -8.041 -0.058 1.00 0.00 C ATOM 151 C THR A 14 11.365 -6.724 0.576 1.00 0.00 C ATOM 152 O THR A 14 11.886 -6.714 1.690 1.00 0.00 O ATOM 153 CB THR A 14 9.555 -8.528 0.453 1.00 0.00 C ATOM 154 OG1 THR A 14 9.879 -9.336 1.581 1.00 0.00 O ATOM 155 CG2 THR A 14 8.877 -9.496 -0.518 1.00 0.00 C ATOM 0 H THR A 14 12.198 -9.156 1.166 1.00 0.00 H new ATOM 0 HA THR A 14 10.821 -7.836 -1.125 1.00 0.00 H new ATOM 0 HB THR A 14 8.903 -7.672 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.482 -8.946 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.918 -9.811 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.717 -8.999 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.513 -10.369 -0.665 1.00 0.00 H new ATOM 163 N GLU A 15 11.148 -5.644 -0.161 1.00 0.00 N ATOM 164 CA GLU A 15 11.526 -4.325 0.316 1.00 0.00 C ATOM 165 C GLU A 15 10.279 -3.479 0.582 1.00 0.00 C ATOM 166 O GLU A 15 9.216 -3.742 0.023 1.00 0.00 O ATOM 167 CB GLU A 15 12.459 -3.629 -0.678 1.00 0.00 C ATOM 168 CG GLU A 15 13.914 -4.038 -0.442 1.00 0.00 C ATOM 169 CD GLU A 15 14.873 -3.091 -1.166 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.975 -1.930 -0.714 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.484 -3.549 -2.156 1.00 0.00 O ATOM 0 H GLU A 15 10.715 -5.656 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 15 12.069 -4.441 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.166 -3.884 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.361 -2.548 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.129 -4.032 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.070 -5.058 -0.793 1.00 0.00 H new ATOM 178 N THR A 16 10.451 -2.481 1.436 1.00 0.00 N ATOM 179 CA THR A 16 9.353 -1.595 1.783 1.00 0.00 C ATOM 180 C THR A 16 9.655 -0.166 1.325 1.00 0.00 C ATOM 181 O THR A 16 10.815 0.241 1.276 1.00 0.00 O ATOM 182 CB THR A 16 9.109 -1.712 3.289 1.00 0.00 C ATOM 183 OG1 THR A 16 10.398 -1.992 3.829 1.00 0.00 O ATOM 184 CG2 THR A 16 8.276 -2.942 3.653 1.00 0.00 C ATOM 0 H THR A 16 11.335 -2.266 1.898 1.00 0.00 H new ATOM 0 HA THR A 16 8.436 -1.881 1.267 1.00 0.00 H new ATOM 0 HB THR A 16 8.605 -0.814 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.332 -2.082 4.803 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.132 -2.977 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.306 -2.883 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.795 -3.843 3.326 1.00 0.00 H new ATOM 192 N THR A 17 8.592 0.555 1.002 1.00 0.00 N ATOM 193 CA THR A 17 8.729 1.929 0.550 1.00 0.00 C ATOM 194 C THR A 17 7.898 2.865 1.431 1.00 0.00 C ATOM 195 O THR A 17 6.900 2.449 2.017 1.00 0.00 O ATOM 196 CB THR A 17 8.339 1.981 -0.929 1.00 0.00 C ATOM 197 OG1 THR A 17 8.418 3.365 -1.259 1.00 0.00 O ATOM 198 CG2 THR A 17 6.869 1.625 -1.160 1.00 0.00 C ATOM 0 H THR A 17 7.632 0.214 1.044 1.00 0.00 H new ATOM 0 HA THR A 17 9.758 2.275 0.642 1.00 0.00 H new ATOM 0 HB THR A 17 8.971 1.297 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.182 3.490 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.645 1.677 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.678 0.615 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.235 2.329 -0.621 1.00 0.00 H new ATOM 206 N GLU A 18 8.341 4.112 1.495 1.00 0.00 N ATOM 207 CA GLU A 18 7.652 5.110 2.294 1.00 0.00 C ATOM 208 C GLU A 18 7.023 6.173 1.390 1.00 0.00 C ATOM 209 O GLU A 18 7.732 6.902 0.698 1.00 0.00 O ATOM 210 CB GLU A 18 8.599 5.748 3.313 1.00 0.00 C ATOM 211 CG GLU A 18 8.493 5.052 4.671 1.00 0.00 C ATOM 212 CD GLU A 18 9.843 5.046 5.391 1.00 0.00 C ATOM 213 OE1 GLU A 18 10.814 4.558 4.774 1.00 0.00 O ATOM 214 OE2 GLU A 18 9.873 5.531 6.543 1.00 0.00 O ATOM 0 H GLU A 18 9.169 4.454 1.006 1.00 0.00 H new ATOM 0 HA GLU A 18 6.855 4.615 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.625 5.688 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.361 6.806 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.751 5.560 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.146 4.028 4.533 1.00 0.00 H new ATOM 221 N VAL A 19 5.700 6.226 1.424 1.00 0.00 N ATOM 222 CA VAL A 19 4.969 7.187 0.616 1.00 0.00 C ATOM 223 C VAL A 19 4.408 8.285 1.521 1.00 0.00 C ATOM 224 O VAL A 19 3.558 8.021 2.371 1.00 0.00 O ATOM 225 CB VAL A 19 3.887 6.471 -0.196 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.345 7.377 -1.304 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.415 5.156 -0.772 1.00 0.00 C ATOM 0 H VAL A 19 5.115 5.619 1.998 1.00 0.00 H new ATOM 0 HA VAL A 19 5.634 7.666 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 19 3.063 6.235 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.578 6.845 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.914 8.275 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.157 7.658 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.627 4.667 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.264 5.359 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.731 4.503 0.042 1.00 0.00 H new ATOM 237 N VAL A 20 4.906 9.495 1.308 1.00 0.00 N ATOM 238 CA VAL A 20 4.465 10.634 2.094 1.00 0.00 C ATOM 239 C VAL A 20 3.480 11.467 1.270 1.00 0.00 C ATOM 240 O VAL A 20 3.832 11.980 0.210 1.00 0.00 O ATOM 241 CB VAL A 20 5.674 11.440 2.572 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.249 12.291 1.438 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.313 12.308 3.779 1.00 0.00 C ATOM 0 H VAL A 20 5.610 9.711 0.602 1.00 0.00 H new ATOM 0 HA VAL A 20 3.940 10.299 2.988 1.00 0.00 H new ATOM 0 HB VAL A 20 6.443 10.734 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.107 12.854 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.563 11.643 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.487 12.983 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.191 12.870 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.518 13.001 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.973 11.672 4.596 1.00 0.00 H new ATOM 253 N LEU A 21 2.266 11.573 1.789 1.00 0.00 N ATOM 254 CA LEU A 21 1.228 12.334 1.115 1.00 0.00 C ATOM 255 C LEU A 21 0.830 13.528 1.985 1.00 0.00 C ATOM 256 O LEU A 21 0.755 13.413 3.207 1.00 0.00 O ATOM 257 CB LEU A 21 0.054 11.426 0.743 1.00 0.00 C ATOM 258 CG LEU A 21 0.397 10.202 -0.108 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.798 9.251 -0.208 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.913 10.619 -1.487 1.00 0.00 C ATOM 0 H LEU A 21 1.978 11.145 2.669 1.00 0.00 H new ATOM 0 HA LEU A 21 1.601 12.736 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.420 11.083 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.685 12.022 0.206 1.00 0.00 H new ATOM 0 HG LEU A 21 1.202 9.658 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.527 8.389 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.080 8.915 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.639 9.771 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.149 9.730 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.147 11.199 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.811 11.226 -1.371 1.00 0.00 H new ATOM 272 N THR A 22 0.585 14.648 1.320 1.00 0.00 N ATOM 273 CA THR A 22 0.197 15.862 2.018 1.00 0.00 C ATOM 274 C THR A 22 -1.285 16.163 1.780 1.00 0.00 C ATOM 275 O THR A 22 -1.676 16.540 0.677 1.00 0.00 O ATOM 276 CB THR A 22 1.126 16.988 1.560 1.00 0.00 C ATOM 277 OG1 THR A 22 2.417 16.385 1.537 1.00 0.00 O ATOM 278 CG2 THR A 22 1.254 18.102 2.602 1.00 0.00 C ATOM 0 H THR A 22 0.648 14.740 0.306 1.00 0.00 H new ATOM 0 HA THR A 22 0.305 15.750 3.097 1.00 0.00 H new ATOM 0 HB THR A 22 0.755 17.407 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.081 17.045 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.924 18.876 2.227 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.272 18.535 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.657 17.690 3.527 1.00 0.00 H new ATOM 286 N ALA A 23 -2.068 15.985 2.834 1.00 0.00 N ATOM 287 CA ALA A 23 -3.497 16.232 2.754 1.00 0.00 C ATOM 288 C ALA A 23 -3.744 17.525 1.974 1.00 0.00 C ATOM 289 O ALA A 23 -3.629 18.619 2.525 1.00 0.00 O ATOM 290 CB ALA A 23 -4.087 16.282 4.165 1.00 0.00 C ATOM 0 H ALA A 23 -1.739 15.673 3.748 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.996 15.423 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.159 16.467 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.911 15.331 4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.611 17.084 4.730 1.00 0.00 H new ATOM 296 N ASP A 24 -4.078 17.358 0.703 1.00 0.00 N ATOM 297 CA ASP A 24 -4.341 18.498 -0.159 1.00 0.00 C ATOM 298 C ASP A 24 -5.481 19.328 0.435 1.00 0.00 C ATOM 299 O ASP A 24 -6.210 18.855 1.306 1.00 0.00 O ATOM 300 CB ASP A 24 -4.766 18.045 -1.557 1.00 0.00 C ATOM 301 CG ASP A 24 -3.940 18.630 -2.705 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.745 18.906 -2.461 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.521 18.787 -3.800 1.00 0.00 O ATOM 0 H ASP A 24 -4.173 16.450 0.249 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.425 19.084 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.707 16.958 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.811 18.314 -1.708 1.00 0.00 H new ATOM 308 N PRO A 25 -5.603 20.584 -0.072 1.00 0.00 N ATOM 309 CA PRO A 25 -6.641 21.484 0.399 1.00 0.00 C ATOM 310 C PRO A 25 -8.007 21.087 -0.164 1.00 0.00 C ATOM 311 O PRO A 25 -9.004 21.765 0.081 1.00 0.00 O ATOM 312 CB PRO A 25 -6.194 22.867 -0.046 1.00 0.00 C ATOM 313 CG PRO A 25 -5.169 22.640 -1.145 1.00 0.00 C ATOM 314 CD PRO A 25 -4.758 21.178 -1.104 1.00 0.00 C ATOM 0 HA PRO A 25 -6.768 21.450 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.038 23.451 -0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.759 23.423 0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.591 22.891 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.302 23.284 -0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.914 20.696 -2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.701 21.071 -0.861 1.00 0.00 H new ATOM 322 N VAL A 26 -8.010 19.990 -0.907 1.00 0.00 N ATOM 323 CA VAL A 26 -9.237 19.495 -1.506 1.00 0.00 C ATOM 324 C VAL A 26 -9.261 17.967 -1.421 1.00 0.00 C ATOM 325 O VAL A 26 -10.152 17.391 -0.799 1.00 0.00 O ATOM 326 CB VAL A 26 -9.367 20.016 -2.939 1.00 0.00 C ATOM 327 CG1 VAL A 26 -9.756 21.496 -2.951 1.00 0.00 C ATOM 328 CG2 VAL A 26 -8.077 19.781 -3.726 1.00 0.00 C ATOM 0 H VAL A 26 -7.181 19.430 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.105 19.865 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.164 19.457 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.842 21.841 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.712 21.625 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.991 22.077 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.196 20.160 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.253 20.302 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.861 18.713 -3.761 1.00 0.00 H new ATOM 338 N THR A 27 -8.272 17.356 -2.055 1.00 0.00 N ATOM 339 CA THR A 27 -8.168 15.906 -2.058 1.00 0.00 C ATOM 340 C THR A 27 -7.060 15.448 -1.109 1.00 0.00 C ATOM 341 O THR A 27 -6.023 14.955 -1.551 1.00 0.00 O ATOM 342 CB THR A 27 -7.957 15.451 -3.504 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.854 16.232 -3.956 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.108 15.866 -4.423 1.00 0.00 C ATOM 0 H THR A 27 -7.535 17.838 -2.570 1.00 0.00 H new ATOM 0 HA THR A 27 -9.082 15.443 -1.686 1.00 0.00 H new ATOM 0 HB THR A 27 -7.844 14.367 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.739 16.108 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.908 15.518 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.037 15.424 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.200 16.952 -4.423 1.00 0.00 H new ATOM 352 N GLY A 28 -7.315 15.628 0.179 1.00 0.00 N ATOM 353 CA GLY A 28 -6.352 15.240 1.195 1.00 0.00 C ATOM 354 C GLY A 28 -5.397 14.169 0.663 1.00 0.00 C ATOM 355 O GLY A 28 -4.326 14.487 0.148 1.00 0.00 O ATOM 0 H GLY A 28 -8.176 16.038 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.783 16.113 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.876 14.862 2.073 1.00 0.00 H new ATOM 359 N PHE A 29 -5.819 12.921 0.807 1.00 0.00 N ATOM 360 CA PHE A 29 -5.015 11.801 0.349 1.00 0.00 C ATOM 361 C PHE A 29 -5.711 11.057 -0.793 1.00 0.00 C ATOM 362 O PHE A 29 -5.051 10.493 -1.664 1.00 0.00 O ATOM 363 CB PHE A 29 -4.852 10.851 1.536 1.00 0.00 C ATOM 364 CG PHE A 29 -4.464 11.547 2.842 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.319 12.278 2.908 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.263 11.436 3.937 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.958 12.925 4.120 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.903 12.082 5.148 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.758 12.813 5.214 1.00 0.00 C ATOM 0 H PHE A 29 -6.708 12.661 1.235 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.054 12.160 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.787 10.312 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.092 10.109 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.684 12.367 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.172 10.856 3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.049 13.505 4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.538 11.993 6.017 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.484 13.305 6.136 1.00 0.00 H new ATOM 379 N GLY A 30 -7.035 11.081 -0.751 1.00 0.00 N ATOM 380 CA GLY A 30 -7.828 10.416 -1.771 1.00 0.00 C ATOM 381 C GLY A 30 -7.349 8.979 -1.987 1.00 0.00 C ATOM 382 O GLY A 30 -6.831 8.647 -3.052 1.00 0.00 O ATOM 0 H GLY A 30 -7.579 11.550 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.877 10.413 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.761 10.970 -2.707 1.00 0.00 H new ATOM 386 N ILE A 31 -7.541 8.164 -0.959 1.00 0.00 N ATOM 387 CA ILE A 31 -7.136 6.770 -1.023 1.00 0.00 C ATOM 388 C ILE A 31 -8.261 5.891 -0.475 1.00 0.00 C ATOM 389 O ILE A 31 -8.931 6.262 0.487 1.00 0.00 O ATOM 390 CB ILE A 31 -5.796 6.569 -0.313 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.782 7.631 -0.744 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.268 5.150 -0.530 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.419 7.383 -0.094 1.00 0.00 C ATOM 0 H ILE A 31 -7.972 8.443 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.971 6.468 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.955 6.693 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.679 7.621 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.146 8.620 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.314 5.034 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.985 4.431 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.128 4.973 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.717 8.152 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.521 7.418 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.047 6.403 -0.392 1.00 0.00 H new ATOM 405 N GLN A 32 -8.434 4.741 -1.111 1.00 0.00 N ATOM 406 CA GLN A 32 -9.466 3.806 -0.699 1.00 0.00 C ATOM 407 C GLN A 32 -8.863 2.419 -0.466 1.00 0.00 C ATOM 408 O GLN A 32 -7.980 1.990 -1.207 1.00 0.00 O ATOM 409 CB GLN A 32 -10.596 3.747 -1.729 1.00 0.00 C ATOM 410 CG GLN A 32 -11.663 4.803 -1.434 1.00 0.00 C ATOM 411 CD GLN A 32 -11.024 6.164 -1.153 1.00 0.00 C ATOM 412 OE1 GLN A 32 -10.254 6.692 -1.939 1.00 0.00 O ATOM 413 NE2 GLN A 32 -11.385 6.702 0.009 1.00 0.00 N ATOM 0 H GLN A 32 -7.876 4.436 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.893 4.157 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.190 3.904 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.049 2.755 -1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.343 4.885 -2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.259 4.493 -0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.034 6.207 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.013 7.610 0.288 1.00 0.00 H new ATOM 422 N LEU A 33 -9.365 1.756 0.566 1.00 0.00 N ATOM 423 CA LEU A 33 -8.887 0.427 0.905 1.00 0.00 C ATOM 424 C LEU A 33 -9.997 -0.593 0.639 1.00 0.00 C ATOM 425 O LEU A 33 -11.168 -0.230 0.545 1.00 0.00 O ATOM 426 CB LEU A 33 -8.358 0.398 2.341 1.00 0.00 C ATOM 427 CG LEU A 33 -7.394 1.524 2.723 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.370 1.734 4.238 1.00 0.00 C ATOM 429 CD2 LEU A 33 -5.996 1.264 2.157 1.00 0.00 C ATOM 0 H LEU A 33 -10.098 2.115 1.178 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.043 0.153 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.209 0.428 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.855 -0.555 2.503 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.755 2.450 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.677 2.539 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.369 1.997 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.046 0.816 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.330 2.079 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.611 0.325 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.049 1.203 1.070 1.00 0.00 H new ATOM 441 N GLN A 34 -9.588 -1.848 0.524 1.00 0.00 N ATOM 442 CA GLN A 34 -10.533 -2.922 0.271 1.00 0.00 C ATOM 443 C GLN A 34 -10.624 -3.847 1.486 1.00 0.00 C ATOM 444 O GLN A 34 -9.775 -3.795 2.375 1.00 0.00 O ATOM 445 CB GLN A 34 -10.148 -3.705 -0.987 1.00 0.00 C ATOM 446 CG GLN A 34 -8.821 -4.441 -0.790 1.00 0.00 C ATOM 447 CD GLN A 34 -9.028 -5.957 -0.804 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.802 -6.497 -1.577 1.00 0.00 O ATOM 449 NE2 GLN A 34 -8.295 -6.612 0.092 1.00 0.00 N ATOM 0 H GLN A 34 -8.615 -2.145 0.601 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.516 -2.482 0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.933 -4.422 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.068 -3.023 -1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.124 -4.158 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.371 -4.140 0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.666 -6.099 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.362 -7.627 0.161 1.00 0.00 H new ATOM 620 N PRO A 47 -4.353 -4.433 3.284 1.00 0.00 N ATOM 621 CA PRO A 47 -5.389 -3.620 2.668 1.00 0.00 C ATOM 622 C PRO A 47 -4.876 -2.953 1.391 1.00 0.00 C ATOM 623 O PRO A 47 -4.273 -1.882 1.445 1.00 0.00 O ATOM 624 CB PRO A 47 -5.793 -2.620 3.739 1.00 0.00 C ATOM 625 CG PRO A 47 -4.655 -2.606 4.747 1.00 0.00 C ATOM 626 CD PRO A 47 -3.775 -3.814 4.473 1.00 0.00 C ATOM 0 HA PRO A 47 -6.249 -4.208 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.947 -1.630 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.730 -2.912 4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.078 -1.685 4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.045 -2.641 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.740 -3.519 4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.775 -4.503 5.318 1.00 0.00 H new ATOM 634 N LEU A 48 -5.133 -3.614 0.272 1.00 0.00 N ATOM 635 CA LEU A 48 -4.704 -3.099 -1.017 1.00 0.00 C ATOM 636 C LEU A 48 -5.597 -1.921 -1.413 1.00 0.00 C ATOM 637 O LEU A 48 -6.821 -2.020 -1.360 1.00 0.00 O ATOM 638 CB LEU A 48 -4.668 -4.220 -2.058 1.00 0.00 C ATOM 639 CG LEU A 48 -4.032 -5.535 -1.604 1.00 0.00 C ATOM 640 CD1 LEU A 48 -4.765 -6.735 -2.207 1.00 0.00 C ATOM 641 CD2 LEU A 48 -2.535 -5.559 -1.922 1.00 0.00 C ATOM 0 H LEU A 48 -5.633 -4.502 0.231 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.684 -2.721 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.690 -4.425 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.126 -3.860 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.132 -5.607 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.293 -7.657 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.807 -6.723 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.718 -6.681 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.107 -6.505 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.390 -5.454 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.040 -4.736 -1.407 1.00 0.00 H new ATOM 653 N ILE A 49 -4.948 -0.832 -1.801 1.00 0.00 N ATOM 654 CA ILE A 49 -5.668 0.363 -2.206 1.00 0.00 C ATOM 655 C ILE A 49 -6.723 -0.010 -3.249 1.00 0.00 C ATOM 656 O ILE A 49 -6.385 -0.396 -4.368 1.00 0.00 O ATOM 657 CB ILE A 49 -4.692 1.443 -2.677 1.00 0.00 C ATOM 658 CG1 ILE A 49 -4.002 2.115 -1.489 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.393 2.458 -3.583 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.885 3.048 -1.959 1.00 0.00 C ATOM 0 H ILE A 49 -3.932 -0.753 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.198 0.794 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.914 0.964 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.733 2.680 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.590 1.355 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.677 3.215 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.797 1.947 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.205 2.936 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.411 3.513 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.143 2.476 -2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.304 3.822 -2.603 1.00 0.00 H new ATOM 672 N SER A 50 -7.979 0.117 -2.847 1.00 0.00 N ATOM 673 CA SER A 50 -9.085 -0.203 -3.733 1.00 0.00 C ATOM 674 C SER A 50 -9.144 0.807 -4.881 1.00 0.00 C ATOM 675 O SER A 50 -9.169 0.423 -6.049 1.00 0.00 O ATOM 676 CB SER A 50 -10.413 -0.221 -2.973 1.00 0.00 C ATOM 677 OG SER A 50 -11.530 -0.082 -3.847 1.00 0.00 O ATOM 0 H SER A 50 -8.255 0.437 -1.919 1.00 0.00 H new ATOM 0 HA SER A 50 -8.918 -1.200 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.501 -1.155 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.423 0.586 -2.241 1.00 0.00 H new ATOM 0 HG SER A 50 -12.359 -0.100 -3.324 1.00 0.00 H new ATOM 683 N TYR A 51 -9.165 2.078 -4.508 1.00 0.00 N ATOM 684 CA TYR A 51 -9.220 3.146 -5.492 1.00 0.00 C ATOM 685 C TYR A 51 -8.346 4.328 -5.069 1.00 0.00 C ATOM 686 O TYR A 51 -8.035 4.484 -3.889 1.00 0.00 O ATOM 687 CB TYR A 51 -10.681 3.599 -5.540 1.00 0.00 C ATOM 688 CG TYR A 51 -10.955 4.710 -6.556 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.993 4.418 -7.904 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.163 6.004 -6.124 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.250 5.463 -8.861 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.421 7.049 -7.080 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.452 6.727 -8.401 1.00 0.00 C ATOM 694 OH TYR A 51 -11.695 7.715 -9.305 1.00 0.00 O ATOM 0 H TYR A 51 -9.145 2.392 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.858 2.796 -6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.309 2.741 -5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.976 3.946 -4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.830 3.405 -8.242 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.132 6.233 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.282 5.248 -9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.586 8.066 -6.755 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.821 8.565 -8.834 1.00 0.00 H new ATOM 704 N ILE A 52 -7.973 5.130 -6.055 1.00 0.00 N ATOM 705 CA ILE A 52 -7.140 6.293 -5.800 1.00 0.00 C ATOM 706 C ILE A 52 -7.794 7.529 -6.420 1.00 0.00 C ATOM 707 O ILE A 52 -7.868 7.649 -7.642 1.00 0.00 O ATOM 708 CB ILE A 52 -5.710 6.045 -6.284 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.108 4.811 -5.608 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.841 7.288 -6.087 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.816 4.379 -6.305 1.00 0.00 C ATOM 0 H ILE A 52 -8.232 4.997 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.061 6.477 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.742 5.842 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.904 5.029 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.828 3.993 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.830 7.084 -6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.262 8.119 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.811 7.547 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.409 3.500 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.028 4.138 -7.347 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.090 5.191 -6.261 1.00 0.00 H new ATOM 723 N GLU A 53 -8.251 8.417 -5.550 1.00 0.00 N ATOM 724 CA GLU A 53 -8.896 9.640 -5.997 1.00 0.00 C ATOM 725 C GLU A 53 -8.027 10.348 -7.039 1.00 0.00 C ATOM 726 O GLU A 53 -6.804 10.223 -7.020 1.00 0.00 O ATOM 727 CB GLU A 53 -9.199 10.564 -4.816 1.00 0.00 C ATOM 728 CG GLU A 53 -10.624 11.113 -4.900 1.00 0.00 C ATOM 729 CD GLU A 53 -10.627 12.642 -4.857 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.023 13.237 -5.776 1.00 0.00 O ATOM 731 OE2 GLU A 53 -11.232 13.182 -3.906 1.00 0.00 O ATOM 0 H GLU A 53 -8.187 8.314 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.846 9.377 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.070 10.019 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.488 11.390 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.095 10.771 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.217 10.721 -4.074 1.00 0.00 H new ATOM 738 N ALA A 54 -8.694 11.076 -7.923 1.00 0.00 N ATOM 739 CA ALA A 54 -7.998 11.804 -8.970 1.00 0.00 C ATOM 740 C ALA A 54 -7.550 13.163 -8.429 1.00 0.00 C ATOM 741 O ALA A 54 -8.036 13.614 -7.393 1.00 0.00 O ATOM 742 CB ALA A 54 -8.909 11.935 -10.192 1.00 0.00 C ATOM 0 H ALA A 54 -9.709 11.177 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.105 11.264 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.387 12.481 -10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.175 10.942 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.814 12.475 -9.915 1.00 0.00 H new ATOM 748 N ASP A 55 -6.626 13.777 -9.154 1.00 0.00 N ATOM 749 CA ASP A 55 -6.107 15.075 -8.760 1.00 0.00 C ATOM 750 C ASP A 55 -5.701 15.031 -7.285 1.00 0.00 C ATOM 751 O ASP A 55 -5.648 16.065 -6.621 1.00 0.00 O ATOM 752 CB ASP A 55 -7.166 16.166 -8.926 1.00 0.00 C ATOM 753 CG ASP A 55 -6.647 17.491 -9.489 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.473 17.809 -9.201 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.436 18.156 -10.195 1.00 0.00 O ATOM 0 H ASP A 55 -6.224 13.399 -10.012 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.252 15.303 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.951 15.792 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.626 16.356 -7.956 1.00 0.00 H new ATOM 760 N SER A 56 -5.425 13.823 -6.816 1.00 0.00 N ATOM 761 CA SER A 56 -5.026 13.630 -5.433 1.00 0.00 C ATOM 762 C SER A 56 -3.512 13.431 -5.348 1.00 0.00 C ATOM 763 O SER A 56 -2.860 13.156 -6.354 1.00 0.00 O ATOM 764 CB SER A 56 -5.754 12.437 -4.810 1.00 0.00 C ATOM 765 OG SER A 56 -5.019 11.225 -4.962 1.00 0.00 O ATOM 0 H SER A 56 -5.470 12.968 -7.370 1.00 0.00 H new ATOM 0 HA SER A 56 -5.301 14.522 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.923 12.628 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.734 12.327 -5.274 1.00 0.00 H new ATOM 0 HG SER A 56 -5.445 10.668 -5.647 1.00 0.00 H new ATOM 771 N PRO A 57 -2.981 13.582 -4.105 1.00 0.00 N ATOM 772 CA PRO A 57 -1.555 13.421 -3.875 1.00 0.00 C ATOM 773 C PRO A 57 -1.158 11.944 -3.904 1.00 0.00 C ATOM 774 O PRO A 57 0.022 11.617 -4.025 1.00 0.00 O ATOM 775 CB PRO A 57 -1.296 14.080 -2.530 1.00 0.00 C ATOM 776 CG PRO A 57 -2.650 14.172 -1.844 1.00 0.00 C ATOM 777 CD PRO A 57 -3.721 13.907 -2.889 1.00 0.00 C ATOM 0 HA PRO A 57 -0.949 13.884 -4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.596 13.493 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.855 15.068 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.718 13.445 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.786 15.158 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.371 13.085 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.357 14.780 -3.034 1.00 0.00 H new ATOM 785 N ALA A 58 -2.165 11.091 -3.790 1.00 0.00 N ATOM 786 CA ALA A 58 -1.936 9.656 -3.801 1.00 0.00 C ATOM 787 C ALA A 58 -1.686 9.195 -5.238 1.00 0.00 C ATOM 788 O ALA A 58 -0.989 8.207 -5.465 1.00 0.00 O ATOM 789 CB ALA A 58 -3.128 8.944 -3.159 1.00 0.00 C ATOM 0 H ALA A 58 -3.142 11.366 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.052 9.404 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.956 7.868 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.245 9.285 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.034 9.171 -3.721 1.00 0.00 H new ATOM 795 N GLU A 59 -2.268 9.933 -6.172 1.00 0.00 N ATOM 796 CA GLU A 59 -2.117 9.612 -7.581 1.00 0.00 C ATOM 797 C GLU A 59 -1.010 10.465 -8.204 1.00 0.00 C ATOM 798 O GLU A 59 -0.374 10.052 -9.173 1.00 0.00 O ATOM 799 CB GLU A 59 -3.438 9.797 -8.330 1.00 0.00 C ATOM 800 CG GLU A 59 -3.386 9.130 -9.707 1.00 0.00 C ATOM 801 CD GLU A 59 -3.468 7.608 -9.582 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.397 6.996 -9.379 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.600 7.090 -9.693 1.00 0.00 O ATOM 0 H GLU A 59 -2.845 10.752 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.833 8.563 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.254 9.371 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.649 10.860 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.209 9.493 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.462 9.408 -10.215 1.00 0.00 H new ATOM 810 N ARG A 60 -0.813 11.638 -7.622 1.00 0.00 N ATOM 811 CA ARG A 60 0.207 12.553 -8.108 1.00 0.00 C ATOM 812 C ARG A 60 1.564 11.849 -8.171 1.00 0.00 C ATOM 813 O ARG A 60 2.223 11.855 -9.209 1.00 0.00 O ATOM 814 CB ARG A 60 0.319 13.783 -7.205 1.00 0.00 C ATOM 815 CG ARG A 60 -0.678 14.865 -7.626 1.00 0.00 C ATOM 816 CD ARG A 60 0.014 16.221 -7.771 1.00 0.00 C ATOM 817 NE ARG A 60 -0.833 17.139 -8.565 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.600 18.452 -8.696 1.00 0.00 C ATOM 819 NH1 ARG A 60 0.455 19.010 -8.086 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.422 19.208 -9.437 1.00 0.00 N ATOM 0 H ARG A 60 -1.342 11.977 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.085 12.876 -9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.134 13.496 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.333 14.180 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.144 14.587 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.476 14.937 -6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.204 16.649 -6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.982 16.095 -8.256 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.645 16.748 -9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.081 18.435 -7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.632 20.010 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.225 18.784 -9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.245 20.207 -9.537 1.00 0.00 H new ATOM 834 N CYS A 61 1.942 11.260 -7.046 1.00 0.00 N ATOM 835 CA CYS A 61 3.209 10.554 -6.960 1.00 0.00 C ATOM 836 C CYS A 61 3.195 9.416 -7.983 1.00 0.00 C ATOM 837 O CYS A 61 4.179 9.200 -8.689 1.00 0.00 O ATOM 838 CB CYS A 61 3.477 10.043 -5.543 1.00 0.00 C ATOM 839 SG CYS A 61 3.309 11.414 -4.342 1.00 0.00 S ATOM 0 H CYS A 61 1.393 11.257 -6.186 1.00 0.00 H new ATOM 0 HA CYS A 61 4.026 11.238 -7.190 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.777 9.245 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.479 9.618 -5.484 1.00 0.00 H new ATOM 0 HG CYS A 61 2.049 11.630 -4.103 1.00 0.00 H new ATOM 845 N GLY A 62 2.069 8.719 -8.030 1.00 0.00 N ATOM 846 CA GLY A 62 1.915 7.610 -8.955 1.00 0.00 C ATOM 847 C GLY A 62 2.454 6.312 -8.350 1.00 0.00 C ATOM 848 O GLY A 62 2.101 5.221 -8.796 1.00 0.00 O ATOM 0 H GLY A 62 1.255 8.901 -7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.862 7.487 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.443 7.830 -9.883 1.00 0.00 H new ATOM 852 N VAL A 63 3.301 6.473 -7.344 1.00 0.00 N ATOM 853 CA VAL A 63 3.892 5.328 -6.673 1.00 0.00 C ATOM 854 C VAL A 63 2.779 4.433 -6.124 1.00 0.00 C ATOM 855 O VAL A 63 2.887 3.208 -6.162 1.00 0.00 O ATOM 856 CB VAL A 63 4.867 5.801 -5.592 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.975 6.667 -6.194 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.130 6.548 -4.479 1.00 0.00 C ATOM 0 H VAL A 63 3.592 7.379 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 63 4.472 4.731 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 63 5.333 4.920 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.654 6.990 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.528 6.088 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.534 7.541 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.845 6.873 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.624 7.418 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.395 5.886 -4.021 1.00 0.00 H new ATOM 868 N LEU A 64 1.735 5.079 -5.627 1.00 0.00 N ATOM 869 CA LEU A 64 0.603 4.357 -5.071 1.00 0.00 C ATOM 870 C LEU A 64 -0.271 3.831 -6.212 1.00 0.00 C ATOM 871 O LEU A 64 -1.083 4.569 -6.768 1.00 0.00 O ATOM 872 CB LEU A 64 -0.153 5.234 -4.071 1.00 0.00 C ATOM 873 CG LEU A 64 0.696 5.901 -2.988 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.129 6.913 -2.191 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.351 4.855 -2.083 1.00 0.00 C ATOM 0 H LEU A 64 1.649 6.095 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 64 0.944 3.490 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.677 6.013 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.913 4.623 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 64 1.500 6.453 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.498 7.373 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.507 7.684 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.967 6.404 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.949 5.356 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.578 4.256 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.993 4.208 -2.681 1.00 0.00 H new ATOM 887 N GLN A 65 -0.074 2.559 -6.527 1.00 0.00 N ATOM 888 CA GLN A 65 -0.834 1.926 -7.591 1.00 0.00 C ATOM 889 C GLN A 65 -2.078 1.241 -7.021 1.00 0.00 C ATOM 890 O GLN A 65 -2.055 0.740 -5.898 1.00 0.00 O ATOM 891 CB GLN A 65 0.032 0.931 -8.367 1.00 0.00 C ATOM 892 CG GLN A 65 -0.725 0.367 -9.571 1.00 0.00 C ATOM 893 CD GLN A 65 -0.695 1.347 -10.746 1.00 0.00 C ATOM 894 OE1 GLN A 65 -0.126 2.424 -10.675 1.00 0.00 O ATOM 895 NE2 GLN A 65 -1.336 0.914 -11.827 1.00 0.00 N ATOM 0 H GLN A 65 0.601 1.950 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.156 2.699 -8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.944 1.423 -8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.334 0.116 -7.709 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.281 -0.582 -9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.758 0.161 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.791 0.001 -11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.373 1.494 -12.665 1.00 0.00 H new ATOM 904 N ILE A 66 -3.134 1.242 -7.821 1.00 0.00 N ATOM 905 CA ILE A 66 -4.385 0.627 -7.409 1.00 0.00 C ATOM 906 C ILE A 66 -4.114 -0.802 -6.935 1.00 0.00 C ATOM 907 O ILE A 66 -3.720 -1.658 -7.726 1.00 0.00 O ATOM 908 CB ILE A 66 -5.421 0.717 -8.532 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.830 2.169 -8.786 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.627 -0.176 -8.237 1.00 0.00 C ATOM 911 CD1 ILE A 66 -7.012 2.568 -7.899 1.00 0.00 C ATOM 0 H ILE A 66 -3.149 1.659 -8.752 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.815 1.166 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.964 0.347 -9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.985 2.828 -8.590 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.098 2.297 -9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.348 -0.094 -9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.299 -1.212 -8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.094 0.140 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.283 3.605 -8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.863 1.922 -8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.732 2.462 -6.851 1.00 0.00 H new ATOM 923 N GLY A 67 -4.335 -1.016 -5.646 1.00 0.00 N ATOM 924 CA GLY A 67 -4.120 -2.326 -5.057 1.00 0.00 C ATOM 925 C GLY A 67 -2.709 -2.441 -4.476 1.00 0.00 C ATOM 926 O GLY A 67 -2.093 -3.504 -4.538 1.00 0.00 O ATOM 0 H GLY A 67 -4.661 -0.303 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.856 -2.501 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.270 -3.097 -5.812 1.00 0.00 H new ATOM 930 N ASP A 68 -2.238 -1.332 -3.925 1.00 0.00 N ATOM 931 CA ASP A 68 -0.912 -1.295 -3.334 1.00 0.00 C ATOM 932 C ASP A 68 -0.830 -2.330 -2.210 1.00 0.00 C ATOM 933 O ASP A 68 -1.776 -3.082 -1.984 1.00 0.00 O ATOM 934 CB ASP A 68 -0.615 0.080 -2.732 1.00 0.00 C ATOM 935 CG ASP A 68 -0.364 1.192 -3.753 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.593 1.033 -4.541 1.00 0.00 O ATOM 937 OD2 ASP A 68 -1.134 2.176 -3.721 1.00 0.00 O ATOM 0 H ASP A 68 -2.752 -0.452 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.187 -1.509 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.453 0.371 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.259 -0.004 -2.086 1.00 0.00 H new ATOM 942 N ARG A 69 0.310 -2.335 -1.535 1.00 0.00 N ATOM 943 CA ARG A 69 0.528 -3.265 -0.441 1.00 0.00 C ATOM 944 C ARG A 69 0.816 -2.503 0.854 1.00 0.00 C ATOM 945 O ARG A 69 1.845 -2.721 1.491 1.00 0.00 O ATOM 946 CB ARG A 69 1.697 -4.206 -0.742 1.00 0.00 C ATOM 947 CG ARG A 69 1.423 -5.037 -1.996 1.00 0.00 C ATOM 948 CD ARG A 69 1.710 -4.229 -3.263 1.00 0.00 C ATOM 949 NE ARG A 69 3.072 -3.655 -3.200 1.00 0.00 N ATOM 950 CZ ARG A 69 3.427 -2.497 -3.772 1.00 0.00 C ATOM 951 NH1 ARG A 69 2.522 -1.781 -4.453 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.687 -2.053 -3.662 1.00 0.00 N ATOM 0 H ARG A 69 1.093 -1.709 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.379 -3.857 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.610 -3.626 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.864 -4.868 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.042 -5.934 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.384 -5.367 -1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.616 -4.868 -4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.975 -3.431 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 69 3.786 -4.174 -2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.563 -2.118 -4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.792 -0.899 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.376 -2.597 -3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.957 -1.171 -4.098 1.00 0.00 H new ATOM 966 N VAL A 70 -0.113 -1.626 1.206 1.00 0.00 N ATOM 967 CA VAL A 70 0.028 -0.830 2.413 1.00 0.00 C ATOM 968 C VAL A 70 0.158 -1.762 3.620 1.00 0.00 C ATOM 969 O VAL A 70 -0.843 -2.138 4.229 1.00 0.00 O ATOM 970 CB VAL A 70 -1.143 0.147 2.536 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.432 -0.587 2.910 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.830 1.254 3.544 1.00 0.00 C ATOM 0 H VAL A 70 -0.966 -1.449 0.676 1.00 0.00 H new ATOM 0 HA VAL A 70 0.934 -0.226 2.369 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.294 0.614 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.249 0.130 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.669 -1.321 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.298 -1.094 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.679 1.935 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.640 0.812 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.052 1.805 3.217 1.00 0.00 H new ATOM 982 N MET A 71 1.399 -2.107 3.930 1.00 0.00 N ATOM 983 CA MET A 71 1.672 -2.988 5.053 1.00 0.00 C ATOM 984 C MET A 71 1.391 -2.284 6.382 1.00 0.00 C ATOM 985 O MET A 71 1.052 -2.932 7.372 1.00 0.00 O ATOM 986 CB MET A 71 3.136 -3.431 5.010 1.00 0.00 C ATOM 987 CG MET A 71 3.505 -3.969 3.626 1.00 0.00 C ATOM 988 SD MET A 71 2.373 -5.266 3.153 1.00 0.00 S ATOM 989 CE MET A 71 3.088 -6.640 4.042 1.00 0.00 C ATOM 0 H MET A 71 2.227 -1.793 3.423 1.00 0.00 H new ATOM 0 HA MET A 71 1.018 -3.857 4.977 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.782 -2.590 5.261 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.309 -4.201 5.762 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.474 -3.163 2.893 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.526 -4.352 3.636 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.410 -7.403 3.334 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.946 -6.294 4.618 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.344 -7.063 4.718 1.00 0.00 H new ATOM 999 N ALA A 72 1.541 -0.968 6.362 1.00 0.00 N ATOM 1000 CA ALA A 72 1.307 -0.170 7.554 1.00 0.00 C ATOM 1001 C ALA A 72 0.888 1.243 7.142 1.00 0.00 C ATOM 1002 O ALA A 72 1.068 1.637 5.990 1.00 0.00 O ATOM 1003 CB ALA A 72 2.564 -0.174 8.426 1.00 0.00 C ATOM 0 H ALA A 72 1.822 -0.434 5.539 1.00 0.00 H new ATOM 0 HA ALA A 72 0.497 -0.595 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.389 0.424 9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.803 -1.197 8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.398 0.248 7.865 1.00 0.00 H new ATOM 1009 N ILE A 73 0.337 1.967 8.105 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.109 3.327 7.857 1.00 0.00 C ATOM 1011 C ILE A 73 0.416 4.242 8.965 1.00 0.00 C ATOM 1012 O ILE A 73 -0.104 4.233 10.080 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.629 3.371 7.692 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.076 2.529 6.495 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.129 4.814 7.596 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.597 2.368 6.475 1.00 0.00 C ATOM 0 H ILE A 73 0.189 1.637 9.059 1.00 0.00 H new ATOM 0 HA ILE A 73 0.301 3.696 6.917 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.081 2.932 8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.745 3.001 5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.603 1.548 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.213 4.817 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.861 5.353 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.670 5.302 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.888 1.766 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.923 1.874 7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.066 3.350 6.406 1.00 0.00 H new ATOM 1028 N ASN A 74 1.440 5.009 8.620 1.00 0.00 N ATOM 1029 CA ASN A 74 2.041 5.927 9.572 1.00 0.00 C ATOM 1030 C ASN A 74 2.817 5.130 10.623 1.00 0.00 C ATOM 1031 O ASN A 74 3.289 5.692 11.610 1.00 0.00 O ATOM 1032 CB ASN A 74 0.972 6.748 10.296 1.00 0.00 C ATOM 1033 CG ASN A 74 1.150 8.243 10.023 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.010 8.893 9.812 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 2.250 8.770 10.004 1.00 0.00 N flip ATOM 0 H ASN A 74 1.868 5.013 7.694 1.00 0.00 H new ATOM 0 HA ASN A 74 2.701 6.598 9.022 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.018 6.431 9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.029 6.561 11.368 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.086 8.211 10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.334 9.769 9.818 1.00 0.00 H new ATOM 1042 N GLY A 75 2.926 3.833 10.375 1.00 0.00 N ATOM 1043 CA GLY A 75 3.636 2.953 11.287 1.00 0.00 C ATOM 1044 C GLY A 75 2.681 1.950 11.936 1.00 0.00 C ATOM 1045 O GLY A 75 3.118 0.956 12.515 1.00 0.00 O ATOM 0 H GLY A 75 2.534 3.370 9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.418 2.419 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.128 3.544 12.059 1.00 0.00 H new ATOM 1049 N ILE A 76 1.395 2.244 11.819 1.00 0.00 N ATOM 1050 CA ILE A 76 0.374 1.380 12.387 1.00 0.00 C ATOM 1051 C ILE A 76 0.276 0.099 11.556 1.00 0.00 C ATOM 1052 O ILE A 76 0.373 0.141 10.331 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.952 2.131 12.517 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.809 3.341 13.443 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.072 1.193 12.971 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -2.168 3.772 13.998 1.00 0.00 C ATOM 0 H ILE A 76 1.036 3.069 11.339 1.00 0.00 H new ATOM 0 HA ILE A 76 0.647 1.084 13.400 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.227 2.509 11.532 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.138 3.096 14.266 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.356 4.169 12.898 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.004 1.753 13.055 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.194 0.393 12.241 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.817 0.764 13.940 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.037 4.634 14.653 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.829 4.040 13.174 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.607 2.950 14.563 1.00 0.00 H new ATOM 1068 N PRO A 77 0.080 -1.039 12.275 1.00 0.00 N ATOM 1069 CA PRO A 77 -0.032 -2.330 11.618 1.00 0.00 C ATOM 1070 C PRO A 77 -1.395 -2.483 10.939 1.00 0.00 C ATOM 1071 O PRO A 77 -2.430 -2.437 11.601 1.00 0.00 O ATOM 1072 CB PRO A 77 0.203 -3.353 12.717 1.00 0.00 C ATOM 1073 CG PRO A 77 -0.024 -2.616 14.027 1.00 0.00 C ATOM 1074 CD PRO A 77 -0.039 -1.126 13.728 1.00 0.00 C ATOM 0 HA PRO A 77 0.692 -2.457 10.814 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.481 -4.196 12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.214 -3.756 12.666 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.967 -2.924 14.480 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.765 -2.854 14.740 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.960 -0.661 14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.785 -0.614 14.224 1.00 0.00 H new ATOM 1082 N THR A 78 -1.350 -2.662 9.627 1.00 0.00 N ATOM 1083 CA THR A 78 -2.568 -2.822 8.852 1.00 0.00 C ATOM 1084 C THR A 78 -2.876 -4.306 8.642 1.00 0.00 C ATOM 1085 O THR A 78 -2.906 -4.783 7.509 1.00 0.00 O ATOM 1086 CB THR A 78 -2.402 -2.045 7.544 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.280 -2.660 6.916 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.955 -0.600 7.774 1.00 0.00 C ATOM 0 H THR A 78 -0.489 -2.700 9.081 1.00 0.00 H new ATOM 0 HA THR A 78 -3.430 -2.415 9.382 1.00 0.00 H new ATOM 0 HB THR A 78 -3.344 -2.050 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.254 -2.405 5.970 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.852 -0.094 6.814 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.698 -0.081 8.380 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.996 -0.594 8.292 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.096 -4.995 9.752 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.400 -6.415 9.704 1.00 0.00 C ATOM 1098 C GLU A 79 -3.782 -6.923 11.096 1.00 0.00 C ATOM 1099 O GLU A 79 -3.081 -7.754 11.672 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.222 -7.209 9.135 1.00 0.00 C ATOM 1101 CG GLU A 79 -2.597 -8.679 8.939 1.00 0.00 C ATOM 1102 CD GLU A 79 -1.372 -9.582 9.098 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -0.847 -9.633 10.231 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -0.988 -10.202 8.082 1.00 0.00 O ATOM 0 H GLU A 79 -3.070 -4.596 10.690 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.250 -6.562 9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.914 -6.778 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.369 -7.134 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.360 -8.963 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.030 -8.819 7.949 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.893 -6.402 11.596 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.377 -6.793 12.910 1.00 0.00 C ATOM 1113 C ASP A 80 -6.622 -5.973 13.254 1.00 0.00 C ATOM 1114 O ASP A 80 -7.612 -6.516 13.742 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.323 -6.528 13.986 1.00 0.00 C ATOM 1116 CG ASP A 80 -4.767 -6.840 15.417 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -5.921 -6.487 15.743 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -3.943 -7.425 16.152 1.00 0.00 O ATOM 0 H ASP A 80 -5.472 -5.713 11.116 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.604 -7.859 12.883 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.437 -7.121 13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.027 -5.480 13.934 1.00 0.00 H new ATOM 1123 N SER A 81 -6.531 -4.678 12.988 1.00 0.00 N ATOM 1124 CA SER A 81 -7.638 -3.778 13.264 1.00 0.00 C ATOM 1125 C SER A 81 -8.736 -3.962 12.214 1.00 0.00 C ATOM 1126 O SER A 81 -8.683 -4.892 11.412 1.00 0.00 O ATOM 1127 CB SER A 81 -7.169 -2.322 13.292 1.00 0.00 C ATOM 1128 OG SER A 81 -5.890 -2.161 12.685 1.00 0.00 O ATOM 0 H SER A 81 -5.708 -4.231 12.584 1.00 0.00 H new ATOM 0 HA SER A 81 -8.040 -4.021 14.247 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.897 -1.697 12.775 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.127 -1.975 14.324 1.00 0.00 H new ATOM 0 HG SER A 81 -5.627 -1.218 12.721 1.00 0.00 H new ATOM 1134 N THR A 82 -9.705 -3.059 12.255 1.00 0.00 N ATOM 1135 CA THR A 82 -10.814 -3.110 11.317 1.00 0.00 C ATOM 1136 C THR A 82 -10.560 -2.168 10.139 1.00 0.00 C ATOM 1137 O THR A 82 -9.807 -1.203 10.262 1.00 0.00 O ATOM 1138 CB THR A 82 -12.098 -2.790 12.085 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.080 -1.372 12.216 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.059 -3.298 13.528 1.00 0.00 C ATOM 0 H THR A 82 -9.745 -2.289 12.922 1.00 0.00 H new ATOM 0 HA THR A 82 -10.918 -4.104 10.881 1.00 0.00 H new ATOM 0 HB THR A 82 -12.950 -3.231 11.568 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.879 -1.078 12.701 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.994 -3.045 14.028 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.928 -4.380 13.529 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.227 -2.831 14.056 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.204 -2.479 9.024 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.058 -1.672 7.825 1.00 0.00 C ATOM 1150 C PHE A 83 -11.307 -0.193 8.126 1.00 0.00 C ATOM 1151 O PHE A 83 -10.733 0.682 7.478 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.108 -2.161 6.825 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.528 -1.107 5.798 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.462 -0.174 6.124 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.967 -1.104 4.559 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.851 0.804 5.171 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.356 -0.126 3.606 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.290 0.807 3.932 1.00 0.00 C ATOM 0 H PHE A 83 -11.829 -3.279 8.926 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.046 -1.770 7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.716 -3.031 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.990 -2.492 7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.908 -0.177 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.226 -1.845 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.592 1.545 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.910 -0.123 2.622 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.586 1.551 3.207 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.164 0.042 9.109 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.496 1.400 9.503 1.00 0.00 C ATOM 1170 C GLU A 84 -11.276 2.088 10.118 1.00 0.00 C ATOM 1171 O GLU A 84 -11.081 3.290 9.941 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.680 1.416 10.472 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.999 1.192 9.730 1.00 0.00 C ATOM 1174 CD GLU A 84 -16.196 1.432 10.653 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.166 2.458 11.366 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -17.113 0.583 10.625 1.00 0.00 O ATOM 0 H GLU A 84 -12.638 -0.685 9.644 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.790 1.954 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.547 0.641 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.712 2.371 10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.056 1.863 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.033 0.174 9.341 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.485 1.296 10.828 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.289 1.814 11.470 1.00 0.00 C ATOM 1185 C GLU A 85 -8.380 2.484 10.437 1.00 0.00 C ATOM 1186 O GLU A 85 -8.207 3.702 10.454 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.545 0.706 12.218 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.346 1.076 13.689 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.324 2.205 13.837 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.118 1.878 13.873 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -7.772 3.370 13.911 1.00 0.00 O ATOM 0 H GLU A 85 -10.649 0.300 10.973 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.589 2.564 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.106 -0.226 12.146 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.577 0.532 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.298 1.383 14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.010 0.201 14.246 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.822 1.659 9.563 1.00 0.00 N ATOM 1199 CA ALA A 86 -6.936 2.157 8.525 1.00 0.00 C ATOM 1200 C ALA A 86 -7.500 3.462 7.961 1.00 0.00 C ATOM 1201 O ALA A 86 -6.779 4.451 7.834 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.758 1.085 7.448 1.00 0.00 C ATOM 0 H ALA A 86 -7.966 0.649 9.553 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.950 2.375 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.093 1.459 6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.327 0.189 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.727 0.843 7.012 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.784 3.424 7.637 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.453 4.592 7.089 1.00 0.00 C ATOM 1210 C ASN A 87 -9.275 5.772 8.047 1.00 0.00 C ATOM 1211 O ASN A 87 -8.840 6.847 7.638 1.00 0.00 O ATOM 1212 CB ASN A 87 -10.953 4.340 6.923 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.549 5.261 5.857 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.849 6.419 6.098 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.703 4.685 4.669 1.00 0.00 N ATOM 0 H ASN A 87 -9.379 2.603 7.743 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.013 4.807 6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.122 3.300 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.460 4.503 7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.093 5.217 3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.431 3.711 4.535 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.620 5.531 9.303 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.504 6.560 10.322 1.00 0.00 C ATOM 1224 C GLN A 88 -8.088 7.139 10.332 1.00 0.00 C ATOM 1225 O GLN A 88 -7.911 8.356 10.364 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.883 6.013 11.699 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.985 6.859 12.341 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.176 7.018 11.393 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.698 8.101 11.189 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.573 5.882 10.829 1.00 0.00 N ATOM 0 H GLN A 88 -9.980 4.638 9.638 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.202 7.362 10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.221 4.981 11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.005 6.003 12.345 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.314 6.391 13.269 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.590 7.841 12.602 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.090 5.010 11.045 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.360 5.882 10.181 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.115 6.240 10.304 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.720 6.647 10.310 1.00 0.00 C ATOM 1241 C LEU A 89 -5.547 7.872 9.410 1.00 0.00 C ATOM 1242 O LEU A 89 -4.945 8.865 9.817 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.818 5.471 9.929 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.991 4.197 10.758 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.873 3.195 10.463 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.090 4.522 12.249 1.00 0.00 C ATOM 0 H LEU A 89 -7.265 5.231 10.277 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.413 6.943 11.313 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.996 5.226 8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.780 5.794 10.008 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.930 3.726 10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.020 2.298 11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.892 2.929 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.910 3.642 10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.213 3.599 12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.180 5.028 12.572 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.948 5.171 12.424 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.084 7.762 8.204 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.997 8.848 7.244 1.00 0.00 C ATOM 1260 C LEU A 90 -6.708 10.080 7.807 1.00 0.00 C ATOM 1261 O LEU A 90 -6.095 11.133 7.976 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.527 8.402 5.880 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.589 7.522 5.051 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.098 7.379 3.615 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.154 8.051 5.101 1.00 0.00 C ATOM 0 H LEU A 90 -6.581 6.936 7.870 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.956 9.128 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.460 7.860 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.768 9.291 5.298 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.580 6.524 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.413 6.749 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.088 6.923 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.156 8.363 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.508 7.408 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.126 9.065 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.805 8.058 6.133 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.993 9.907 8.083 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.794 10.992 8.624 1.00 0.00 C ATOM 1279 C ARG A 91 -8.015 11.738 9.708 1.00 0.00 C ATOM 1280 O ARG A 91 -8.150 12.953 9.850 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.103 10.467 9.216 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.211 10.438 8.161 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.345 11.397 8.530 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.364 12.542 7.593 1.00 0.00 N ATOM 1285 CZ ARG A 91 -11.523 13.583 7.662 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -10.592 13.630 8.624 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -11.614 14.578 6.769 1.00 0.00 N ATOM 0 H ARG A 91 -8.499 9.032 7.942 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.026 11.673 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.949 9.464 9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.408 11.098 10.051 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.800 10.712 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.603 9.425 8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.300 10.873 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.213 11.754 9.551 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.061 12.539 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.523 12.873 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.952 14.423 8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.323 14.543 6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.974 15.370 6.821 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.216 10.981 10.445 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.415 11.556 11.513 1.00 0.00 C ATOM 1303 C ASP A 92 -5.196 12.255 10.909 1.00 0.00 C ATOM 1304 O ASP A 92 -4.893 13.395 11.259 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.914 10.472 12.470 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.105 10.783 13.955 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -5.206 11.446 14.517 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -7.145 10.350 14.497 1.00 0.00 O ATOM 0 H ASP A 92 -7.106 9.974 10.324 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.039 12.261 12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.429 9.539 12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.853 10.305 12.283 1.00 0.00 H new ATOM 1313 N SER A 93 -4.528 11.543 10.013 1.00 0.00 N ATOM 1314 CA SER A 93 -3.349 12.082 9.358 1.00 0.00 C ATOM 1315 C SER A 93 -3.611 13.520 8.907 1.00 0.00 C ATOM 1316 O SER A 93 -2.721 14.367 8.973 1.00 0.00 O ATOM 1317 CB SER A 93 -2.939 11.217 8.163 1.00 0.00 C ATOM 1318 OG SER A 93 -1.961 10.244 8.519 1.00 0.00 O ATOM 0 H SER A 93 -4.781 10.598 9.726 1.00 0.00 H new ATOM 0 HA SER A 93 -2.528 12.077 10.075 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.819 10.716 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.545 11.855 7.372 1.00 0.00 H new ATOM 0 HG SER A 93 -1.597 10.455 9.404 1.00 0.00 H new ATOM 1324 N SER A 94 -4.836 13.751 8.458 1.00 0.00 N ATOM 1325 CA SER A 94 -5.226 15.073 7.996 1.00 0.00 C ATOM 1326 C SER A 94 -4.742 16.136 8.983 1.00 0.00 C ATOM 1327 O SER A 94 -4.483 17.275 8.597 1.00 0.00 O ATOM 1328 CB SER A 94 -6.743 15.167 7.816 1.00 0.00 C ATOM 1329 OG SER A 94 -7.096 15.871 6.628 1.00 0.00 O ATOM 0 H SER A 94 -5.571 13.046 8.404 1.00 0.00 H new ATOM 0 HA SER A 94 -4.760 15.248 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.167 14.163 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.180 15.669 8.679 1.00 0.00 H new ATOM 0 HG SER A 94 -8.072 15.908 6.548 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.633 15.727 10.239 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.184 16.631 11.284 1.00 0.00 C ATOM 1337 C ILE A 95 -2.837 17.237 10.885 1.00 0.00 C ATOM 1338 O ILE A 95 -2.760 18.414 10.539 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.160 15.916 12.637 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.562 15.847 13.245 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.155 16.571 13.586 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.670 14.695 14.246 1.00 0.00 C ATOM 0 H ILE A 95 -4.848 14.782 10.556 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.884 17.458 11.399 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.828 14.890 12.476 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.793 16.789 13.743 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.299 15.716 12.453 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.158 16.043 14.540 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.158 16.524 13.149 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.432 17.613 13.747 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.677 14.669 14.663 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.462 13.752 13.740 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.948 14.842 15.049 1.00 0.00 H new ATOM 1354 N THR A 96 -1.808 16.404 10.947 1.00 0.00 N ATOM 1355 CA THR A 96 -0.468 16.843 10.596 1.00 0.00 C ATOM 1356 C THR A 96 -0.379 17.138 9.097 1.00 0.00 C ATOM 1357 O THR A 96 0.626 17.665 8.624 1.00 0.00 O ATOM 1358 CB THR A 96 0.518 15.771 11.063 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.798 16.344 10.814 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.489 14.523 10.178 1.00 0.00 C ATOM 0 H THR A 96 -1.875 15.428 11.235 1.00 0.00 H new ATOM 0 HA THR A 96 -0.215 17.778 11.095 1.00 0.00 H new ATOM 0 HB THR A 96 0.290 15.492 12.092 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.728 16.999 10.089 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.207 13.794 10.553 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.511 14.089 10.194 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.750 14.796 9.155 1.00 0.00 H new ATOM 1368 N SER A 97 -1.445 16.787 8.393 1.00 0.00 N ATOM 1369 CA SER A 97 -1.499 17.007 6.958 1.00 0.00 C ATOM 1370 C SER A 97 -0.430 16.167 6.258 1.00 0.00 C ATOM 1371 O SER A 97 0.044 16.530 5.182 1.00 0.00 O ATOM 1372 CB SER A 97 -1.315 18.489 6.621 1.00 0.00 C ATOM 1373 OG SER A 97 -2.562 19.165 6.486 1.00 0.00 O ATOM 0 H SER A 97 -2.278 16.352 8.790 1.00 0.00 H new ATOM 0 HA SER A 97 -2.482 16.700 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.726 18.968 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.750 18.582 5.694 1.00 0.00 H new ATOM 0 HG SER A 97 -2.402 20.108 6.273 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.081 15.060 6.896 1.00 0.00 N ATOM 1380 CA LYS A 98 0.924 14.165 6.349 1.00 0.00 C ATOM 1381 C LYS A 98 0.612 12.730 6.778 1.00 0.00 C ATOM 1382 O LYS A 98 0.073 12.505 7.861 1.00 0.00 O ATOM 1383 CB LYS A 98 2.328 14.632 6.740 1.00 0.00 C ATOM 1384 CG LYS A 98 3.307 14.460 5.576 1.00 0.00 C ATOM 1385 CD LYS A 98 3.750 15.818 5.028 1.00 0.00 C ATOM 1386 CE LYS A 98 5.276 15.929 5.008 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.764 16.586 6.241 1.00 0.00 N ATOM 0 H LYS A 98 -0.477 14.762 7.788 1.00 0.00 H new ATOM 0 HA LYS A 98 0.898 14.185 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.296 15.679 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.678 14.063 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.178 13.896 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.836 13.880 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.359 15.953 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.332 16.616 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.718 14.936 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.594 16.499 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.801 16.653 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.357 17.541 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.477 16.026 7.069 1.00 0.00 H new ATOM 1401 N VAL A 99 0.962 11.796 5.906 1.00 0.00 N ATOM 1402 CA VAL A 99 0.726 10.389 6.181 1.00 0.00 C ATOM 1403 C VAL A 99 1.821 9.552 5.517 1.00 0.00 C ATOM 1404 O VAL A 99 2.226 9.835 4.390 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.682 9.997 5.729 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.863 10.235 4.229 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -0.991 8.543 6.094 1.00 0.00 C ATOM 0 H VAL A 99 1.407 11.986 5.008 1.00 0.00 H new ATOM 0 HA VAL A 99 0.775 10.196 7.253 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.392 10.633 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.872 9.948 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.706 11.290 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.139 9.636 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.998 8.290 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.272 7.885 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.924 8.417 7.175 1.00 0.00 H new ATOM 1417 N THR A 100 2.270 8.540 6.243 1.00 0.00 N ATOM 1418 CA THR A 100 3.311 7.660 5.739 1.00 0.00 C ATOM 1419 C THR A 100 2.745 6.266 5.463 1.00 0.00 C ATOM 1420 O THR A 100 2.476 5.506 6.392 1.00 0.00 O ATOM 1421 CB THR A 100 4.461 7.660 6.748 1.00 0.00 C ATOM 1422 OG1 THR A 100 5.015 8.969 6.644 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.606 6.735 6.332 1.00 0.00 C ATOM 0 H THR A 100 1.932 8.309 7.177 1.00 0.00 H new ATOM 0 HA THR A 100 3.698 8.014 4.783 1.00 0.00 H new ATOM 0 HB THR A 100 4.086 7.355 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.767 9.056 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.395 6.773 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.236 5.713 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.004 7.059 5.370 1.00 0.00 H new ATOM 1431 N LEU A 101 2.579 5.972 4.182 1.00 0.00 N ATOM 1432 CA LEU A 101 2.049 4.683 3.772 1.00 0.00 C ATOM 1433 C LEU A 101 3.208 3.716 3.521 1.00 0.00 C ATOM 1434 O LEU A 101 3.998 3.915 2.600 1.00 0.00 O ATOM 1435 CB LEU A 101 1.113 4.845 2.573 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.254 5.466 2.868 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.118 4.517 3.702 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -0.102 6.836 3.532 1.00 0.00 C ATOM 0 H LEU A 101 2.802 6.605 3.414 1.00 0.00 H new ATOM 0 HA LEU A 101 1.440 4.252 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.615 5.459 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.955 3.864 2.125 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.770 5.623 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.084 4.982 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.268 3.586 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.618 4.306 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.088 7.255 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.442 6.727 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.449 7.503 2.869 1.00 0.00 H new ATOM 1450 N GLU A 102 3.273 2.691 4.357 1.00 0.00 N ATOM 1451 CA GLU A 102 4.322 1.693 4.238 1.00 0.00 C ATOM 1452 C GLU A 102 3.866 0.549 3.331 1.00 0.00 C ATOM 1453 O GLU A 102 2.931 -0.178 3.664 1.00 0.00 O ATOM 1454 CB GLU A 102 4.740 1.169 5.613 1.00 0.00 C ATOM 1455 CG GLU A 102 6.083 0.440 5.538 1.00 0.00 C ATOM 1456 CD GLU A 102 6.887 0.638 6.825 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.704 -0.191 7.742 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.667 1.614 6.862 1.00 0.00 O ATOM 0 H GLU A 102 2.616 2.530 5.120 1.00 0.00 H new ATOM 0 HA GLU A 102 5.194 2.164 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.812 1.999 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.976 0.492 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.915 -0.624 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.655 0.810 4.687 1.00 0.00 H new ATOM 1465 N ILE A 103 4.546 0.424 2.201 1.00 0.00 N ATOM 1466 CA ILE A 103 4.222 -0.619 1.243 1.00 0.00 C ATOM 1467 C ILE A 103 5.341 -1.663 1.234 1.00 0.00 C ATOM 1468 O ILE A 103 6.417 -1.430 1.784 1.00 0.00 O ATOM 1469 CB ILE A 103 3.935 -0.014 -0.133 1.00 0.00 C ATOM 1470 CG1 ILE A 103 3.055 1.231 -0.010 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.328 -1.055 -1.075 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.582 0.848 0.149 1.00 0.00 C ATOM 0 H ILE A 103 5.321 1.028 1.927 1.00 0.00 H new ATOM 0 HA ILE A 103 3.307 -1.134 1.536 1.00 0.00 H new ATOM 0 HB ILE A 103 4.881 0.302 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.375 1.824 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.178 1.857 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.134 -0.598 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.024 -1.885 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.393 -1.425 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.978 1.752 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.259 0.276 -0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.458 0.243 1.047 1.00 0.00 H new ATOM 1484 N GLU A 104 5.050 -2.791 0.603 1.00 0.00 N ATOM 1485 CA GLU A 104 6.018 -3.871 0.516 1.00 0.00 C ATOM 1486 C GLU A 104 5.955 -4.530 -0.864 1.00 0.00 C ATOM 1487 O GLU A 104 4.893 -4.981 -1.292 1.00 0.00 O ATOM 1488 CB GLU A 104 5.794 -4.900 1.626 1.00 0.00 C ATOM 1489 CG GLU A 104 6.456 -6.235 1.278 1.00 0.00 C ATOM 1490 CD GLU A 104 6.967 -6.938 2.537 1.00 0.00 C ATOM 1491 OE1 GLU A 104 6.107 -7.416 3.308 1.00 0.00 O ATOM 1492 OE2 GLU A 104 8.205 -6.981 2.700 1.00 0.00 O ATOM 0 H GLU A 104 4.157 -2.980 0.147 1.00 0.00 H new ATOM 0 HA GLU A 104 7.015 -3.451 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.200 -4.522 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.725 -5.049 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.740 -6.877 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.284 -6.066 0.590 1.00 0.00 H new ATOM 1499 N PHE A 105 7.104 -4.564 -1.521 1.00 0.00 N ATOM 1500 CA PHE A 105 7.193 -5.160 -2.843 1.00 0.00 C ATOM 1501 C PHE A 105 8.205 -6.308 -2.861 1.00 0.00 C ATOM 1502 O PHE A 105 8.811 -6.621 -1.838 1.00 0.00 O ATOM 1503 CB PHE A 105 7.668 -4.063 -3.798 1.00 0.00 C ATOM 1504 CG PHE A 105 8.723 -3.131 -3.199 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.365 -2.209 -2.265 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.020 -3.225 -3.600 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.345 -1.344 -1.709 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.999 -2.360 -3.044 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.641 -1.438 -2.110 1.00 0.00 C ATOM 0 H PHE A 105 7.982 -4.188 -1.163 1.00 0.00 H new ATOM 0 HA PHE A 105 6.223 -5.562 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.076 -4.528 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.808 -3.470 -4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.336 -2.135 -1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.305 -3.957 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.061 -0.612 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.028 -2.434 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.386 -0.781 -1.687 1.00 0.00 H new ATOM 1519 N ASP A 106 8.355 -6.904 -4.034 1.00 0.00 N ATOM 1520 CA ASP A 106 9.283 -8.010 -4.198 1.00 0.00 C ATOM 1521 C ASP A 106 10.488 -7.542 -5.017 1.00 0.00 C ATOM 1522 O ASP A 106 10.351 -6.703 -5.905 1.00 0.00 O ATOM 1523 CB ASP A 106 8.627 -9.173 -4.945 1.00 0.00 C ATOM 1524 CG ASP A 106 7.775 -8.769 -6.150 1.00 0.00 C ATOM 1525 OD1 ASP A 106 8.382 -8.361 -7.164 1.00 0.00 O ATOM 1526 OD2 ASP A 106 6.535 -8.878 -6.031 1.00 0.00 O ATOM 0 H ASP A 106 7.850 -6.642 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 106 9.588 -8.344 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.408 -9.854 -5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.001 -9.727 -4.246 1.00 0.00 H new