USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.064 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.886 USER MOD Single : A 48 SER OG : rot -48:sc= 0.0393 USER MOD Single : A 50 GLN : amide:sc= -1.02 K(o=-1,f=-1.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.209 5.792 -1.649 1.00 0.00 N ATOM 67 CA LYS A 8 0.352 5.676 -0.208 1.00 0.00 C ATOM 68 C LYS A 8 0.993 4.329 0.131 1.00 0.00 C ATOM 69 O LYS A 8 0.943 3.395 -0.669 1.00 0.00 O ATOM 70 CB LYS A 8 -0.994 5.907 0.484 1.00 0.00 C ATOM 71 CG LYS A 8 -2.040 4.903 -0.003 1.00 0.00 C ATOM 72 CD LYS A 8 -3.076 5.582 -0.902 1.00 0.00 C ATOM 73 CE LYS A 8 -4.489 5.098 -0.573 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.130 5.998 0.412 1.00 0.00 N ATOM 0 HA LYS A 8 1.018 6.451 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.872 5.816 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.339 6.922 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.549 4.098 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.539 4.448 0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.020 6.663 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.850 5.371 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.088 5.060 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.449 4.084 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.088 5.654 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.567 6.013 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.186 6.959 0.019 1.00 0.00 H new ATOM 88 N TYR A 9 1.582 4.271 1.316 1.00 0.00 N ATOM 89 CA TYR A 9 2.233 3.054 1.770 1.00 0.00 C ATOM 90 C TYR A 9 1.882 2.756 3.229 1.00 0.00 C ATOM 91 O TYR A 9 1.418 3.636 3.952 1.00 0.00 O ATOM 92 CB TYR A 9 3.737 3.315 1.663 1.00 0.00 C ATOM 93 CG TYR A 9 4.235 3.505 0.228 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.166 4.748 -0.367 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.752 2.433 -0.470 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.635 4.927 -1.716 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.221 2.612 -1.820 1.00 0.00 C ATOM 98 CZ TYR A 9 5.139 3.851 -2.377 1.00 0.00 C ATOM 99 OH TYR A 9 5.581 4.019 -3.651 1.00 0.00 O ATOM 0 H TYR A 9 1.622 5.048 1.976 1.00 0.00 H new ATOM 0 HA TYR A 9 1.913 2.201 1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.983 4.204 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.273 2.481 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.760 5.587 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.805 1.460 -0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.588 5.895 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.629 1.782 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 9 5.915 3.165 -3.997 1.00 0.00 H new ATOM 109 N VAL A 10 2.118 1.512 3.619 1.00 0.00 N ATOM 110 CA VAL A 10 1.833 1.086 4.978 1.00 0.00 C ATOM 111 C VAL A 10 3.120 0.574 5.628 1.00 0.00 C ATOM 112 O VAL A 10 3.893 -0.146 4.999 1.00 0.00 O ATOM 113 CB VAL A 10 0.709 0.047 4.977 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.208 -1.298 4.446 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.101 -0.104 6.372 1.00 0.00 C ATOM 0 H VAL A 10 2.504 0.785 3.017 1.00 0.00 H new ATOM 0 HA VAL A 10 1.479 1.927 5.575 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.075 0.401 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.390 -2.019 4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.571 -1.174 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.019 -1.661 5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.695 -0.848 6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.872 -0.425 7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.308 0.853 6.696 1.00 0.00 H new ATOM 125 N LYS A 11 3.309 0.966 6.880 1.00 0.00 N ATOM 126 CA LYS A 11 4.489 0.555 7.622 1.00 0.00 C ATOM 127 C LYS A 11 4.106 -0.550 8.609 1.00 0.00 C ATOM 128 O LYS A 11 3.507 -0.278 9.648 1.00 0.00 O ATOM 129 CB LYS A 11 5.155 1.765 8.281 1.00 0.00 C ATOM 130 CG LYS A 11 6.602 1.452 8.665 1.00 0.00 C ATOM 131 CD LYS A 11 6.889 1.871 10.108 1.00 0.00 C ATOM 132 CE LYS A 11 8.188 1.241 10.614 1.00 0.00 C ATOM 133 NZ LYS A 11 9.131 2.288 11.066 1.00 0.00 N ATOM 0 H LYS A 11 2.665 1.563 7.399 1.00 0.00 H new ATOM 0 HA LYS A 11 5.237 0.136 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.132 2.614 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.594 2.055 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.790 0.385 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.282 1.971 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.960 2.957 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.061 1.570 10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.972 0.559 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.645 0.650 9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.007 1.843 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.351 2.923 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.699 2.835 11.838 1.00 0.00 H new ATOM 147 N ILE A 12 4.469 -1.772 8.249 1.00 0.00 N ATOM 148 CA ILE A 12 4.171 -2.919 9.090 1.00 0.00 C ATOM 149 C ILE A 12 4.544 -2.595 10.538 1.00 0.00 C ATOM 150 O ILE A 12 5.470 -1.825 10.786 1.00 0.00 O ATOM 151 CB ILE A 12 4.855 -4.175 8.545 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.422 -4.453 7.104 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.606 -5.375 9.460 1.00 0.00 C ATOM 154 CD1 ILE A 12 2.897 -4.443 6.977 1.00 0.00 C ATOM 0 H ILE A 12 4.967 -1.993 7.387 1.00 0.00 H new ATOM 0 HA ILE A 12 3.103 -3.134 9.076 1.00 0.00 H new ATOM 0 HB ILE A 12 5.931 -4.000 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.850 -3.702 6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.811 -5.420 6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.103 -6.254 9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.003 -5.164 10.453 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.535 -5.563 9.530 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.617 -4.643 5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.473 -5.212 7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.514 -3.467 7.274 1.00 0.00 H new ATOM 166 N LEU A 13 3.804 -3.200 11.455 1.00 0.00 N ATOM 167 CA LEU A 13 4.045 -2.985 12.872 1.00 0.00 C ATOM 168 C LEU A 13 4.545 -4.286 13.502 1.00 0.00 C ATOM 169 O LEU A 13 5.387 -4.263 14.399 1.00 0.00 O ATOM 170 CB LEU A 13 2.797 -2.414 13.548 1.00 0.00 C ATOM 171 CG LEU A 13 2.233 -1.129 12.938 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.996 -0.656 13.705 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.308 -0.043 12.858 1.00 0.00 C ATOM 0 H LEU A 13 3.037 -3.839 11.245 1.00 0.00 H new ATOM 0 HA LEU A 13 4.826 -2.239 13.017 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.017 -3.175 13.528 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.030 -2.224 14.596 1.00 0.00 H new ATOM 0 HG LEU A 13 1.917 -1.345 11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.614 0.259 13.252 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.227 -1.428 13.667 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.264 -0.462 14.743 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.881 0.860 12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.677 0.178 13.860 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.133 -0.392 12.237 1.00 0.00 H new ATOM 185 N TYR A 14 4.005 -5.391 13.010 1.00 0.00 N ATOM 186 CA TYR A 14 4.385 -6.700 13.513 1.00 0.00 C ATOM 187 C TYR A 14 4.751 -7.644 12.366 1.00 0.00 C ATOM 188 O TYR A 14 4.123 -7.614 11.309 1.00 0.00 O ATOM 189 CB TYR A 14 3.153 -7.248 14.236 1.00 0.00 C ATOM 190 CG TYR A 14 2.737 -6.432 15.462 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.478 -6.505 16.624 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.620 -5.624 15.406 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.086 -5.738 17.777 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.228 -4.856 16.559 1.00 0.00 C ATOM 195 CZ TYR A 14 1.980 -4.951 17.688 1.00 0.00 C ATOM 196 OH TYR A 14 1.610 -4.226 18.778 1.00 0.00 O ATOM 0 H TYR A 14 3.306 -5.407 12.267 1.00 0.00 H new ATOM 0 HA TYR A 14 5.253 -6.622 14.167 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.319 -7.283 13.535 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.352 -8.274 14.546 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.352 -7.138 16.668 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.040 -5.568 14.497 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.657 -5.786 18.692 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.356 -4.219 16.528 1.00 0.00 H new ATOM 0 HH TYR A 14 0.804 -3.710 18.569 1.00 0.00 H new ATOM 206 N ASP A 15 5.765 -8.460 12.615 1.00 0.00 N ATOM 207 CA ASP A 15 6.222 -9.411 11.616 1.00 0.00 C ATOM 208 C ASP A 15 5.193 -10.535 11.480 1.00 0.00 C ATOM 209 O ASP A 15 5.045 -11.359 12.381 1.00 0.00 O ATOM 210 CB ASP A 15 7.556 -10.039 12.023 1.00 0.00 C ATOM 211 CG ASP A 15 8.520 -9.097 12.746 1.00 0.00 C ATOM 212 OD1 ASP A 15 8.211 -8.749 13.906 1.00 0.00 O ATOM 213 OD2 ASP A 15 9.546 -8.746 12.123 1.00 0.00 O ATOM 0 H ASP A 15 6.283 -8.482 13.494 1.00 0.00 H new ATOM 0 HA ASP A 15 6.347 -8.877 10.674 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.356 -10.895 12.668 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.048 -10.422 11.129 1.00 0.00 H new ATOM 218 N PHE A 16 4.507 -10.532 10.346 1.00 0.00 N ATOM 219 CA PHE A 16 3.496 -11.541 10.080 1.00 0.00 C ATOM 220 C PHE A 16 4.018 -12.596 9.103 1.00 0.00 C ATOM 221 O PHE A 16 4.826 -12.291 8.227 1.00 0.00 O ATOM 222 CB PHE A 16 2.303 -10.822 9.447 1.00 0.00 C ATOM 223 CG PHE A 16 1.125 -11.742 9.118 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.522 -12.454 10.107 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.682 -11.848 7.837 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.571 -13.308 9.802 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.410 -12.702 7.531 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.014 -13.414 8.520 1.00 0.00 C ATOM 0 H PHE A 16 4.632 -9.847 9.601 1.00 0.00 H new ATOM 0 HA PHE A 16 3.222 -12.047 11.006 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.962 -10.040 10.125 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.632 -10.329 8.532 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.874 -12.370 11.125 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.161 -11.282 7.052 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.050 -13.873 10.588 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.761 -12.786 6.513 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.845 -14.063 8.288 1.00 0.00 H new ATOM 238 N THR A 17 3.534 -13.816 9.285 1.00 0.00 N ATOM 239 CA THR A 17 3.942 -14.918 8.430 1.00 0.00 C ATOM 240 C THR A 17 2.753 -15.428 7.614 1.00 0.00 C ATOM 241 O THR A 17 1.935 -16.197 8.115 1.00 0.00 O ATOM 242 CB THR A 17 4.577 -15.993 9.315 1.00 0.00 C ATOM 243 OG1 THR A 17 5.867 -15.473 9.621 1.00 0.00 O ATOM 244 CG2 THR A 17 4.867 -17.285 8.549 1.00 0.00 C ATOM 0 H THR A 17 2.863 -14.066 10.012 1.00 0.00 H new ATOM 0 HA THR A 17 4.684 -14.598 7.699 1.00 0.00 H new ATOM 0 HB THR A 17 3.916 -16.210 10.154 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.348 -16.107 10.194 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.317 -18.014 9.223 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.937 -17.687 8.148 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.555 -17.076 7.730 1.00 0.00 H new ATOM 252 N ALA A 18 2.694 -14.977 6.369 1.00 0.00 N ATOM 253 CA ALA A 18 1.618 -15.378 5.478 1.00 0.00 C ATOM 254 C ALA A 18 1.317 -16.864 5.685 1.00 0.00 C ATOM 255 O ALA A 18 2.179 -17.713 5.462 1.00 0.00 O ATOM 256 CB ALA A 18 2.006 -15.058 4.033 1.00 0.00 C ATOM 0 H ALA A 18 3.374 -14.338 5.957 1.00 0.00 H new ATOM 0 HA ALA A 18 0.707 -14.823 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.199 -15.359 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.181 -13.987 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.915 -15.600 3.772 1.00 0.00 H new ATOM 324 N GLU A 23 -2.325 -14.701 1.472 1.00 0.00 N ATOM 325 CA GLU A 23 -1.714 -13.832 2.463 1.00 0.00 C ATOM 326 C GLU A 23 -0.295 -13.453 2.034 1.00 0.00 C ATOM 327 O GLU A 23 0.274 -14.078 1.141 1.00 0.00 O ATOM 328 CB GLU A 23 -1.712 -14.490 3.844 1.00 0.00 C ATOM 329 CG GLU A 23 -3.085 -14.372 4.509 1.00 0.00 C ATOM 330 CD GLU A 23 -3.024 -14.810 5.974 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.092 -15.577 6.299 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.910 -14.367 6.736 1.00 0.00 O ATOM 0 HA GLU A 23 -2.307 -12.920 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.439 -15.541 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.957 -14.020 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.435 -13.342 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.807 -14.987 3.972 1.00 0.00 H new ATOM 339 N LEU A 24 0.235 -12.433 2.692 1.00 0.00 N ATOM 340 CA LEU A 24 1.577 -11.964 2.390 1.00 0.00 C ATOM 341 C LEU A 24 2.411 -11.957 3.673 1.00 0.00 C ATOM 342 O LEU A 24 1.903 -11.636 4.746 1.00 0.00 O ATOM 343 CB LEU A 24 1.524 -10.608 1.684 1.00 0.00 C ATOM 344 CG LEU A 24 2.716 -10.273 0.785 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.568 -10.929 -0.589 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.915 -8.760 0.679 1.00 0.00 C ATOM 0 H LEU A 24 -0.240 -11.918 3.433 1.00 0.00 H new ATOM 0 HA LEU A 24 2.070 -12.642 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.617 -10.570 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.435 -9.829 2.442 1.00 0.00 H new ATOM 0 HG LEU A 24 3.615 -10.685 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.428 -10.675 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.513 -12.011 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.657 -10.569 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.768 -8.550 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.020 -8.304 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.099 -8.347 1.671 1.00 0.00 H new ATOM 358 N SER A 25 3.677 -12.316 3.520 1.00 0.00 N ATOM 359 CA SER A 25 4.586 -12.355 4.652 1.00 0.00 C ATOM 360 C SER A 25 5.380 -11.049 4.732 1.00 0.00 C ATOM 361 O SER A 25 6.093 -10.694 3.796 1.00 0.00 O ATOM 362 CB SER A 25 5.538 -13.549 4.554 1.00 0.00 C ATOM 363 OG SER A 25 5.123 -14.481 3.559 1.00 0.00 O ATOM 0 H SER A 25 4.095 -12.583 2.628 1.00 0.00 H new ATOM 0 HA SER A 25 3.995 -12.470 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.542 -13.194 4.322 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.592 -14.050 5.520 1.00 0.00 H new ATOM 0 HG SER A 25 5.757 -15.228 3.526 1.00 0.00 H new ATOM 369 N VAL A 26 5.228 -10.370 5.860 1.00 0.00 N ATOM 370 CA VAL A 26 5.921 -9.111 6.074 1.00 0.00 C ATOM 371 C VAL A 26 6.550 -9.111 7.469 1.00 0.00 C ATOM 372 O VAL A 26 5.999 -9.693 8.402 1.00 0.00 O ATOM 373 CB VAL A 26 4.962 -7.941 5.851 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.261 -8.057 4.495 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.943 -7.842 6.988 1.00 0.00 C ATOM 0 H VAL A 26 4.635 -10.668 6.635 1.00 0.00 H new ATOM 0 HA VAL A 26 6.729 -8.993 5.353 1.00 0.00 H new ATOM 0 HB VAL A 26 5.550 -7.023 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.585 -7.213 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.006 -8.055 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.693 -8.986 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.273 -7.002 6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.363 -8.764 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.465 -7.690 7.933 1.00 0.00 H new ATOM 385 N LEU A 27 7.695 -8.452 7.567 1.00 0.00 N ATOM 386 CA LEU A 27 8.404 -8.368 8.833 1.00 0.00 C ATOM 387 C LEU A 27 8.029 -7.063 9.537 1.00 0.00 C ATOM 388 O LEU A 27 7.250 -6.271 9.010 1.00 0.00 O ATOM 389 CB LEU A 27 9.909 -8.540 8.616 1.00 0.00 C ATOM 390 CG LEU A 27 10.457 -9.956 8.808 1.00 0.00 C ATOM 391 CD1 LEU A 27 9.612 -10.979 8.046 1.00 0.00 C ATOM 392 CD2 LEU A 27 11.935 -10.029 8.420 1.00 0.00 C ATOM 0 H LEU A 27 8.150 -7.971 6.791 1.00 0.00 H new ATOM 0 HA LEU A 27 8.105 -9.183 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.150 -8.213 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.433 -7.873 9.300 1.00 0.00 H new ATOM 0 HG LEU A 27 10.390 -10.208 9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.023 -11.977 8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.586 -10.949 8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.624 -10.741 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.300 -11.046 8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.051 -9.749 7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.509 -9.345 9.044 1.00 0.00 H new ATOM 404 N LYS A 28 8.603 -6.879 10.717 1.00 0.00 N ATOM 405 CA LYS A 28 8.339 -5.683 11.500 1.00 0.00 C ATOM 406 C LYS A 28 9.240 -4.549 11.009 1.00 0.00 C ATOM 407 O LYS A 28 10.429 -4.756 10.767 1.00 0.00 O ATOM 408 CB LYS A 28 8.480 -5.978 12.994 1.00 0.00 C ATOM 409 CG LYS A 28 8.454 -4.686 13.813 1.00 0.00 C ATOM 410 CD LYS A 28 9.686 -4.583 14.714 1.00 0.00 C ATOM 411 CE LYS A 28 9.425 -5.230 16.076 1.00 0.00 C ATOM 412 NZ LYS A 28 10.593 -6.035 16.500 1.00 0.00 N ATOM 0 H LYS A 28 9.250 -7.538 11.150 1.00 0.00 H new ATOM 0 HA LYS A 28 7.309 -5.356 11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.671 -6.634 13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.414 -6.510 13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.416 -3.827 13.143 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.550 -4.655 14.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.534 -5.070 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.955 -3.535 14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.219 -4.459 16.818 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.540 -5.864 16.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.399 -6.467 17.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.772 -6.783 15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.430 -5.421 16.573 1.00 0.00 H new ATOM 426 N ASP A 29 8.641 -3.374 10.876 1.00 0.00 N ATOM 427 CA ASP A 29 9.376 -2.207 10.419 1.00 0.00 C ATOM 428 C ASP A 29 9.493 -2.249 8.894 1.00 0.00 C ATOM 429 O ASP A 29 10.378 -1.618 8.318 1.00 0.00 O ATOM 430 CB ASP A 29 10.790 -2.183 11.001 1.00 0.00 C ATOM 431 CG ASP A 29 11.366 -0.786 11.244 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.948 -0.237 10.284 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.211 -0.299 12.385 1.00 0.00 O ATOM 0 H ASP A 29 7.655 -3.206 11.077 1.00 0.00 H new ATOM 0 HA ASP A 29 8.836 -1.319 10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.787 -2.728 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.454 -2.721 10.325 1.00 0.00 H new ATOM 438 N GLU A 30 8.587 -2.999 8.283 1.00 0.00 N ATOM 439 CA GLU A 30 8.578 -3.131 6.836 1.00 0.00 C ATOM 440 C GLU A 30 7.553 -2.175 6.222 1.00 0.00 C ATOM 441 O GLU A 30 6.637 -1.720 6.905 1.00 0.00 O ATOM 442 CB GLU A 30 8.297 -4.576 6.420 1.00 0.00 C ATOM 443 CG GLU A 30 9.594 -5.305 6.063 1.00 0.00 C ATOM 444 CD GLU A 30 9.312 -6.535 5.197 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.282 -6.505 4.489 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.132 -7.476 5.263 1.00 0.00 O ATOM 0 H GLU A 30 7.854 -3.521 8.764 1.00 0.00 H new ATOM 0 HA GLU A 30 9.566 -2.864 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.792 -5.100 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.622 -4.587 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.262 -4.627 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.108 -5.608 6.975 1.00 0.00 H new ATOM 453 N VAL A 31 7.743 -1.899 4.940 1.00 0.00 N ATOM 454 CA VAL A 31 6.846 -1.005 4.227 1.00 0.00 C ATOM 455 C VAL A 31 6.423 -1.659 2.910 1.00 0.00 C ATOM 456 O VAL A 31 7.260 -1.932 2.051 1.00 0.00 O ATOM 457 CB VAL A 31 7.513 0.358 4.030 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.678 1.249 3.108 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.766 1.043 5.374 1.00 0.00 C ATOM 0 H VAL A 31 8.504 -2.278 4.377 1.00 0.00 H new ATOM 0 HA VAL A 31 5.941 -0.828 4.808 1.00 0.00 H new ATOM 0 HB VAL A 31 8.478 0.193 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.174 2.212 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.572 0.768 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.692 1.403 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.241 2.010 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.818 1.189 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.420 0.419 5.983 1.00 0.00 H new ATOM 469 N LEU A 32 5.124 -1.892 2.793 1.00 0.00 N ATOM 470 CA LEU A 32 4.579 -2.509 1.595 1.00 0.00 C ATOM 471 C LEU A 32 3.798 -1.463 0.798 1.00 0.00 C ATOM 472 O LEU A 32 3.593 -0.345 1.268 1.00 0.00 O ATOM 473 CB LEU A 32 3.756 -3.747 1.957 1.00 0.00 C ATOM 474 CG LEU A 32 4.542 -4.936 2.515 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.723 -5.287 1.607 1.00 0.00 C ATOM 476 CD2 LEU A 32 4.986 -4.672 3.955 1.00 0.00 C ATOM 0 H LEU A 32 4.433 -1.665 3.508 1.00 0.00 H new ATOM 0 HA LEU A 32 5.383 -2.866 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.004 -3.457 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.221 -4.076 1.066 1.00 0.00 H new ATOM 0 HG LEU A 32 3.882 -5.803 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.265 -6.135 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.354 -5.547 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.392 -4.430 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.542 -5.532 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.623 -3.788 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.109 -4.508 4.582 1.00 0.00 H new ATOM 488 N GLU A 33 3.383 -1.863 -0.395 1.00 0.00 N ATOM 489 CA GLU A 33 2.628 -0.974 -1.262 1.00 0.00 C ATOM 490 C GLU A 33 1.137 -1.310 -1.199 1.00 0.00 C ATOM 491 O GLU A 33 0.709 -2.346 -1.706 1.00 0.00 O ATOM 492 CB GLU A 33 3.146 -1.041 -2.700 1.00 0.00 C ATOM 493 CG GLU A 33 3.288 0.360 -3.298 1.00 0.00 C ATOM 494 CD GLU A 33 4.293 0.364 -4.451 1.00 0.00 C ATOM 495 OE1 GLU A 33 5.419 -0.129 -4.225 1.00 0.00 O ATOM 496 OE2 GLU A 33 3.912 0.861 -5.534 1.00 0.00 O ATOM 0 H GLU A 33 3.555 -2.791 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 33 2.764 0.048 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.111 -1.548 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.463 -1.633 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.318 0.707 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.612 1.058 -2.526 1.00 0.00 H new ATOM 503 N VAL A 34 0.387 -0.416 -0.572 1.00 0.00 N ATOM 504 CA VAL A 34 -1.047 -0.605 -0.437 1.00 0.00 C ATOM 505 C VAL A 34 -1.712 -0.425 -1.803 1.00 0.00 C ATOM 506 O VAL A 34 -1.423 0.534 -2.516 1.00 0.00 O ATOM 507 CB VAL A 34 -1.602 0.343 0.628 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.611 1.788 0.124 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.000 -0.091 1.075 1.00 0.00 C ATOM 0 H VAL A 34 0.746 0.441 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.268 -1.617 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.944 0.294 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.010 2.441 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.594 2.094 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.235 1.859 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.371 0.600 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.674 -0.086 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.952 -1.096 1.493 1.00 0.00 H new ATOM 519 N LEU A 35 -2.591 -1.363 -2.126 1.00 0.00 N ATOM 520 CA LEU A 35 -3.300 -1.320 -3.393 1.00 0.00 C ATOM 521 C LEU A 35 -4.803 -1.223 -3.129 1.00 0.00 C ATOM 522 O LEU A 35 -5.493 -0.408 -3.740 1.00 0.00 O ATOM 523 CB LEU A 35 -2.905 -2.511 -4.269 1.00 0.00 C ATOM 524 CG LEU A 35 -1.495 -3.065 -4.052 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.326 -4.420 -4.741 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.435 -2.057 -4.501 1.00 0.00 C ATOM 0 H LEU A 35 -2.828 -2.157 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.017 -0.431 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.620 -3.315 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.001 -2.216 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.353 -3.228 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.315 -4.791 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.046 -5.129 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.496 -4.307 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.558 -2.475 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.566 -1.840 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.541 -1.137 -3.926 1.00 0.00 H new ATOM 538 N GLU A 36 -5.267 -2.066 -2.218 1.00 0.00 N ATOM 539 CA GLU A 36 -6.677 -2.085 -1.866 1.00 0.00 C ATOM 540 C GLU A 36 -6.851 -1.855 -0.363 1.00 0.00 C ATOM 541 O GLU A 36 -6.289 -2.588 0.450 1.00 0.00 O ATOM 542 CB GLU A 36 -7.333 -3.397 -2.300 1.00 0.00 C ATOM 543 CG GLU A 36 -8.197 -3.193 -3.545 1.00 0.00 C ATOM 544 CD GLU A 36 -9.205 -2.062 -3.333 1.00 0.00 C ATOM 545 OE1 GLU A 36 -9.715 -1.961 -2.196 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.444 -1.324 -4.313 1.00 0.00 O ATOM 0 H GLU A 36 -4.692 -2.740 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.176 -1.275 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.564 -4.142 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.946 -3.787 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.561 -2.963 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.726 -4.117 -3.781 1.00 0.00 H new ATOM 553 N ASP A 37 -7.633 -0.835 -0.039 1.00 0.00 N ATOM 554 CA ASP A 37 -7.888 -0.500 1.351 1.00 0.00 C ATOM 555 C ASP A 37 -9.388 -0.269 1.548 1.00 0.00 C ATOM 556 O ASP A 37 -10.158 -0.315 0.590 1.00 0.00 O ATOM 557 CB ASP A 37 -7.156 0.782 1.752 1.00 0.00 C ATOM 558 CG ASP A 37 -7.881 2.080 1.393 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.662 2.043 0.418 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.638 3.081 2.101 1.00 0.00 O ATOM 0 H ASP A 37 -8.098 -0.230 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.533 -1.326 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.987 0.764 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.176 0.787 1.275 1.00 0.00 H new ATOM 565 N GLY A 38 -9.758 -0.027 2.797 1.00 0.00 N ATOM 566 CA GLY A 38 -11.151 0.211 3.132 1.00 0.00 C ATOM 567 C GLY A 38 -11.911 -1.108 3.286 1.00 0.00 C ATOM 568 O GLY A 38 -13.141 -1.122 3.297 1.00 0.00 O ATOM 0 H GLY A 38 -9.117 0.009 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.214 0.781 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.618 0.815 2.354 1.00 0.00 H new ATOM 572 N ARG A 39 -11.148 -2.184 3.399 1.00 0.00 N ATOM 573 CA ARG A 39 -11.733 -3.505 3.551 1.00 0.00 C ATOM 574 C ARG A 39 -11.133 -4.215 4.767 1.00 0.00 C ATOM 575 O ARG A 39 -10.109 -3.789 5.296 1.00 0.00 O ATOM 576 CB ARG A 39 -11.499 -4.359 2.304 1.00 0.00 C ATOM 577 CG ARG A 39 -12.474 -3.977 1.187 1.00 0.00 C ATOM 578 CD ARG A 39 -11.775 -3.977 -0.174 1.00 0.00 C ATOM 579 NE ARG A 39 -12.695 -4.487 -1.215 1.00 0.00 N ATOM 580 CZ ARG A 39 -13.606 -3.734 -1.848 1.00 0.00 C ATOM 581 NH1 ARG A 39 -13.723 -2.433 -1.549 1.00 0.00 N ATOM 582 NH2 ARG A 39 -14.398 -4.282 -2.779 1.00 0.00 N ATOM 0 H ARG A 39 -10.128 -2.168 3.388 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.806 -3.377 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.474 -4.229 1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.620 -5.413 2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.308 -4.679 1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.892 -2.990 1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.451 -2.967 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.880 -4.597 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.632 -5.473 -1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.119 -2.016 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.416 -1.859 -2.030 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.308 -5.272 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.091 -3.709 -3.260 1.00 0.00 H new ATOM 596 N GLN A 40 -11.798 -5.287 5.173 1.00 0.00 N ATOM 597 CA GLN A 40 -11.342 -6.061 6.316 1.00 0.00 C ATOM 598 C GLN A 40 -9.817 -6.172 6.308 1.00 0.00 C ATOM 599 O GLN A 40 -9.149 -5.674 7.213 1.00 0.00 O ATOM 600 CB GLN A 40 -11.993 -7.445 6.335 1.00 0.00 C ATOM 601 CG GLN A 40 -13.434 -7.367 6.844 1.00 0.00 C ATOM 602 CD GLN A 40 -14.025 -8.766 7.035 1.00 0.00 C ATOM 603 OE1 GLN A 40 -14.380 -9.452 6.091 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.109 -9.148 8.306 1.00 0.00 N ATOM 0 H GLN A 40 -12.648 -5.638 4.732 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.643 -5.541 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.981 -7.870 5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.414 -8.114 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.461 -6.825 7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.043 -6.804 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.793 -8.524 9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.489 -10.065 8.539 1.00 0.00 H new ATOM 613 N TRP A 41 -9.309 -6.829 5.275 1.00 0.00 N ATOM 614 CA TRP A 41 -7.874 -7.012 5.137 1.00 0.00 C ATOM 615 C TRP A 41 -7.410 -6.213 3.918 1.00 0.00 C ATOM 616 O TRP A 41 -8.075 -6.213 2.882 1.00 0.00 O ATOM 617 CB TRP A 41 -7.516 -8.497 5.050 1.00 0.00 C ATOM 618 CG TRP A 41 -7.646 -9.247 6.377 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.610 -9.130 7.301 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.738 -10.243 6.895 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.391 -9.972 8.371 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.217 -10.671 8.116 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.553 -10.764 6.349 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.572 -11.640 8.895 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.920 -11.731 7.139 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.389 -12.173 8.371 1.00 0.00 C ATOM 0 H TRP A 41 -9.866 -7.241 4.526 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.352 -6.638 6.018 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.160 -8.973 4.311 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.492 -8.593 4.689 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.453 -8.460 7.218 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.982 -10.065 9.197 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.161 -10.444 5.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.966 -11.959 9.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.004 -12.164 6.766 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.843 -12.925 8.921 1.00 0.00 H new ATOM 637 N TRP A 42 -6.274 -5.552 4.080 1.00 0.00 N ATOM 638 CA TRP A 42 -5.714 -4.751 3.005 1.00 0.00 C ATOM 639 C TRP A 42 -4.901 -5.678 2.099 1.00 0.00 C ATOM 640 O TRP A 42 -4.446 -6.735 2.534 1.00 0.00 O ATOM 641 CB TRP A 42 -4.891 -3.586 3.561 1.00 0.00 C ATOM 642 CG TRP A 42 -5.709 -2.578 4.371 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.018 -2.614 4.652 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.214 -1.376 4.998 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.403 -1.527 5.411 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.270 -0.750 5.628 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.917 -0.835 5.031 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.138 0.450 6.337 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.802 0.365 5.743 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.855 1.007 6.383 1.00 0.00 C ATOM 0 H TRP A 42 -5.726 -5.555 4.940 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.506 -4.292 2.413 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.096 -3.984 4.192 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.410 -3.066 2.732 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.688 -3.395 4.326 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.345 -1.330 5.750 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.076 -1.308 4.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.981 0.920 6.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.826 0.824 5.799 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.684 1.932 6.914 1.00 0.00 H new ATOM 661 N LYS A 43 -4.743 -5.248 0.856 1.00 0.00 N ATOM 662 CA LYS A 43 -3.993 -6.026 -0.116 1.00 0.00 C ATOM 663 C LYS A 43 -2.706 -5.280 -0.476 1.00 0.00 C ATOM 664 O LYS A 43 -2.727 -4.354 -1.285 1.00 0.00 O ATOM 665 CB LYS A 43 -4.868 -6.361 -1.325 1.00 0.00 C ATOM 666 CG LYS A 43 -4.196 -7.408 -2.215 1.00 0.00 C ATOM 667 CD LYS A 43 -4.574 -7.203 -3.683 1.00 0.00 C ATOM 668 CE LYS A 43 -4.211 -8.433 -4.519 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.354 -8.839 -5.367 1.00 0.00 N ATOM 0 H LYS A 43 -5.122 -4.371 0.499 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.698 -6.985 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.835 -6.733 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.059 -5.456 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.114 -7.346 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.493 -8.407 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.643 -7.007 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.059 -6.327 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.346 -8.212 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.927 -9.256 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.091 -9.675 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.169 -9.069 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.606 -8.059 -6.007 1.00 0.00 H new ATOM 683 N LEU A 44 -1.617 -5.712 0.142 1.00 0.00 N ATOM 684 CA LEU A 44 -0.323 -5.097 -0.103 1.00 0.00 C ATOM 685 C LEU A 44 0.458 -5.947 -1.107 1.00 0.00 C ATOM 686 O LEU A 44 0.104 -7.097 -1.361 1.00 0.00 O ATOM 687 CB LEU A 44 0.418 -4.865 1.215 1.00 0.00 C ATOM 688 CG LEU A 44 -0.432 -4.358 2.382 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.217 -3.107 1.985 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.345 -5.463 2.916 1.00 0.00 C ATOM 0 H LEU A 44 -1.604 -6.481 0.812 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.448 -4.110 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.889 -5.802 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.220 -4.148 1.037 1.00 0.00 H new ATOM 0 HG LEU A 44 0.237 -4.074 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.813 -2.767 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.523 -2.320 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.876 -3.341 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.938 -5.076 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.010 -5.802 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.739 -6.300 3.263 1.00 0.00 H new ATOM 702 N ARG A 45 1.508 -5.348 -1.650 1.00 0.00 N ATOM 703 CA ARG A 45 2.343 -6.036 -2.620 1.00 0.00 C ATOM 704 C ARG A 45 3.821 -5.859 -2.268 1.00 0.00 C ATOM 705 O ARG A 45 4.303 -4.734 -2.145 1.00 0.00 O ATOM 706 CB ARG A 45 2.095 -5.506 -4.034 1.00 0.00 C ATOM 707 CG ARG A 45 2.918 -6.283 -5.063 1.00 0.00 C ATOM 708 CD ARG A 45 2.866 -5.604 -6.433 1.00 0.00 C ATOM 709 NE ARG A 45 1.474 -5.583 -6.935 1.00 0.00 N ATOM 710 CZ ARG A 45 1.057 -4.830 -7.962 1.00 0.00 C ATOM 711 NH1 ARG A 45 1.923 -4.032 -8.603 1.00 0.00 N ATOM 712 NH2 ARG A 45 -0.225 -4.875 -8.349 1.00 0.00 N ATOM 0 H ARG A 45 1.799 -4.394 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 45 2.083 -7.094 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.035 -5.586 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.353 -4.448 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.953 -6.354 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.538 -7.302 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.250 -4.587 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.507 -6.136 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 45 0.789 -6.179 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.899 -3.998 -8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.606 -3.459 -9.385 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.884 -5.483 -7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.542 -4.302 -9.131 1.00 0.00 H new ATOM 726 N SER A 46 4.499 -6.987 -2.116 1.00 0.00 N ATOM 727 CA SER A 46 5.913 -6.971 -1.781 1.00 0.00 C ATOM 728 C SER A 46 6.737 -6.570 -3.006 1.00 0.00 C ATOM 729 O SER A 46 6.227 -6.562 -4.125 1.00 0.00 O ATOM 730 CB SER A 46 6.370 -8.333 -1.256 1.00 0.00 C ATOM 731 OG SER A 46 7.059 -9.085 -2.251 1.00 0.00 O ATOM 0 H SER A 46 4.095 -7.918 -2.219 1.00 0.00 H new ATOM 0 HA SER A 46 6.069 -6.237 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.022 -8.189 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.504 -8.897 -0.910 1.00 0.00 H new ATOM 0 HG SER A 46 7.336 -9.947 -1.876 1.00 0.00 H new ATOM 737 N ARG A 47 7.997 -6.248 -2.753 1.00 0.00 N ATOM 738 CA ARG A 47 8.896 -5.848 -3.821 1.00 0.00 C ATOM 739 C ARG A 47 9.231 -7.047 -4.711 1.00 0.00 C ATOM 740 O ARG A 47 9.845 -6.890 -5.765 1.00 0.00 O ATOM 741 CB ARG A 47 10.193 -5.262 -3.259 1.00 0.00 C ATOM 742 CG ARG A 47 10.898 -6.266 -2.345 1.00 0.00 C ATOM 743 CD ARG A 47 10.765 -5.858 -0.876 1.00 0.00 C ATOM 744 NE ARG A 47 12.004 -6.197 -0.142 1.00 0.00 N ATOM 745 CZ ARG A 47 12.331 -5.691 1.055 1.00 0.00 C ATOM 746 NH1 ARG A 47 11.512 -4.820 1.660 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.476 -6.055 1.647 1.00 0.00 N ATOM 0 H ARG A 47 8.416 -6.256 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 47 8.390 -5.083 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.855 -4.984 -4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.973 -4.351 -2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.471 -7.258 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.952 -6.330 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.571 -4.788 -0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.914 -6.368 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 47 12.650 -6.857 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.640 -4.542 1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.761 -4.435 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.100 -6.718 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.724 -5.669 2.558 1.00 0.00 H new ATOM 761 N SER A 48 8.811 -8.218 -4.254 1.00 0.00 N ATOM 762 CA SER A 48 9.058 -9.442 -4.995 1.00 0.00 C ATOM 763 C SER A 48 7.955 -9.658 -6.033 1.00 0.00 C ATOM 764 O SER A 48 7.854 -10.732 -6.624 1.00 0.00 O ATOM 765 CB SER A 48 9.145 -10.647 -4.056 1.00 0.00 C ATOM 766 OG SER A 48 9.852 -11.734 -4.646 1.00 0.00 O ATOM 0 H SER A 48 8.301 -8.344 -3.380 1.00 0.00 H new ATOM 0 HA SER A 48 10.016 -9.344 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.641 -10.351 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.139 -10.971 -3.788 1.00 0.00 H new ATOM 0 HG SER A 48 9.514 -11.891 -5.552 1.00 0.00 H new ATOM 772 N GLY A 49 7.155 -8.618 -6.224 1.00 0.00 N ATOM 773 CA GLY A 49 6.063 -8.680 -7.180 1.00 0.00 C ATOM 774 C GLY A 49 4.923 -9.555 -6.655 1.00 0.00 C ATOM 775 O GLY A 49 4.023 -9.926 -7.407 1.00 0.00 O ATOM 0 H GLY A 49 7.242 -7.728 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.692 -7.675 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.426 -9.079 -8.127 1.00 0.00 H new ATOM 779 N GLN A 50 4.998 -9.859 -5.367 1.00 0.00 N ATOM 780 CA GLN A 50 3.984 -10.683 -4.732 1.00 0.00 C ATOM 781 C GLN A 50 2.913 -9.802 -4.085 1.00 0.00 C ATOM 782 O GLN A 50 3.212 -8.714 -3.595 1.00 0.00 O ATOM 783 CB GLN A 50 4.609 -11.629 -3.706 1.00 0.00 C ATOM 784 CG GLN A 50 5.354 -12.773 -4.397 1.00 0.00 C ATOM 785 CD GLN A 50 4.450 -13.485 -5.406 1.00 0.00 C ATOM 786 OE1 GLN A 50 4.302 -13.073 -6.545 1.00 0.00 O ATOM 787 NE2 GLN A 50 3.855 -14.573 -4.925 1.00 0.00 N ATOM 0 H GLN A 50 5.746 -9.549 -4.746 1.00 0.00 H new ATOM 0 HA GLN A 50 3.509 -11.295 -5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.297 -11.075 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.831 -12.035 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.236 -12.383 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.705 -13.486 -3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.023 -14.862 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.231 -15.118 -5.520 1.00 0.00 H new ATOM 796 N ALA A 51 1.687 -10.305 -4.104 1.00 0.00 N ATOM 797 CA ALA A 51 0.571 -9.577 -3.525 1.00 0.00 C ATOM 798 C ALA A 51 -0.274 -10.534 -2.682 1.00 0.00 C ATOM 799 O ALA A 51 -0.662 -11.603 -3.152 1.00 0.00 O ATOM 800 CB ALA A 51 -0.239 -8.912 -4.640 1.00 0.00 C ATOM 0 H ALA A 51 1.442 -11.208 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 51 0.929 -8.786 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.076 -8.366 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.399 -8.220 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.617 -9.675 -5.320 1.00 0.00 H new ATOM 806 N GLY A 52 -0.534 -10.117 -1.452 1.00 0.00 N ATOM 807 CA GLY A 52 -1.326 -10.924 -0.539 1.00 0.00 C ATOM 808 C GLY A 52 -2.094 -10.042 0.447 1.00 0.00 C ATOM 809 O GLY A 52 -1.786 -8.861 0.599 1.00 0.00 O ATOM 0 H GLY A 52 -0.210 -9.230 -1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.026 -11.538 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.675 -11.605 0.008 1.00 0.00 H new ATOM 813 N TYR A 53 -3.079 -10.650 1.092 1.00 0.00 N ATOM 814 CA TYR A 53 -3.893 -9.935 2.060 1.00 0.00 C ATOM 815 C TYR A 53 -3.344 -10.113 3.477 1.00 0.00 C ATOM 816 O TYR A 53 -2.706 -11.121 3.777 1.00 0.00 O ATOM 817 CB TYR A 53 -5.287 -10.562 1.984 1.00 0.00 C ATOM 818 CG TYR A 53 -6.093 -10.138 0.754 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.592 -8.854 0.666 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.322 -11.039 -0.266 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.351 -8.455 -0.491 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.081 -10.640 -1.422 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.558 -9.368 -1.478 1.00 0.00 C ATOM 824 OH TYR A 53 -8.275 -8.991 -2.570 1.00 0.00 O ATOM 0 H TYR A 53 -3.332 -11.630 0.963 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.902 -8.868 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.187 -11.647 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.844 -10.294 2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.413 -8.149 1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.932 -12.044 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.747 -7.454 -0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.267 -11.335 -2.227 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.342 -9.744 -3.193 1.00 0.00 H new ATOM 834 N VAL A 54 -3.612 -9.119 4.310 1.00 0.00 N ATOM 835 CA VAL A 54 -3.153 -9.153 5.688 1.00 0.00 C ATOM 836 C VAL A 54 -4.112 -8.342 6.561 1.00 0.00 C ATOM 837 O VAL A 54 -4.897 -7.543 6.052 1.00 0.00 O ATOM 838 CB VAL A 54 -1.707 -8.658 5.771 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.728 -9.833 5.828 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.379 -7.728 4.602 1.00 0.00 C ATOM 0 H VAL A 54 -4.141 -8.285 4.057 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.155 -10.176 6.065 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.600 -8.088 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.292 -9.454 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.940 -10.441 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.838 -10.442 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.346 -7.390 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.512 -8.264 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.045 -6.866 4.625 1.00 0.00 H new ATOM 850 N PRO A 55 -4.016 -8.581 7.897 1.00 0.00 N ATOM 851 CA PRO A 55 -4.867 -7.882 8.846 1.00 0.00 C ATOM 852 C PRO A 55 -4.402 -6.437 9.036 1.00 0.00 C ATOM 853 O PRO A 55 -3.206 -6.154 8.992 1.00 0.00 O ATOM 854 CB PRO A 55 -4.790 -8.704 10.122 1.00 0.00 C ATOM 855 CG PRO A 55 -3.545 -9.566 9.989 1.00 0.00 C ATOM 856 CD PRO A 55 -3.100 -9.520 8.536 1.00 0.00 C ATOM 0 HA PRO A 55 -5.899 -7.797 8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.727 -8.059 10.999 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.681 -9.321 10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.754 -9.198 10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.757 -10.592 10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.066 -9.186 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.157 -10.505 8.073 1.00 0.00 H new ATOM 864 N CYS A 56 -5.374 -5.560 9.244 1.00 0.00 N ATOM 865 CA CYS A 56 -5.080 -4.151 9.442 1.00 0.00 C ATOM 866 C CYS A 56 -4.695 -3.941 10.908 1.00 0.00 C ATOM 867 O CYS A 56 -4.380 -2.825 11.318 1.00 0.00 O ATOM 868 CB CYS A 56 -6.256 -3.264 9.028 1.00 0.00 C ATOM 869 SG CYS A 56 -7.615 -3.420 10.244 1.00 0.00 S ATOM 0 H CYS A 56 -6.365 -5.798 9.280 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.247 -3.858 8.803 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.933 -2.225 8.962 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.608 -3.552 8.037 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.608 -2.661 9.885 1.00 0.00 H new ATOM 875 N ASN A 57 -4.733 -5.033 11.658 1.00 0.00 N ATOM 876 CA ASN A 57 -4.393 -4.983 13.070 1.00 0.00 C ATOM 877 C ASN A 57 -2.889 -4.744 13.219 1.00 0.00 C ATOM 878 O ASN A 57 -2.436 -4.237 14.244 1.00 0.00 O ATOM 879 CB ASN A 57 -4.733 -6.302 13.766 1.00 0.00 C ATOM 880 CG ASN A 57 -5.529 -6.056 15.049 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.983 -5.881 16.126 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.848 -6.051 14.875 1.00 0.00 N ATOM 0 H ASN A 57 -4.994 -5.957 11.314 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.967 -4.176 13.527 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.310 -6.935 13.092 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.815 -6.840 14.001 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.467 -5.894 15.671 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.240 -6.204 13.946 1.00 0.00 H new ATOM 889 N ILE A 58 -2.156 -5.121 12.181 1.00 0.00 N ATOM 890 CA ILE A 58 -0.713 -4.954 12.184 1.00 0.00 C ATOM 891 C ILE A 58 -0.339 -3.769 11.292 1.00 0.00 C ATOM 892 O ILE A 58 0.743 -3.201 11.429 1.00 0.00 O ATOM 893 CB ILE A 58 -0.022 -6.261 11.792 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.279 -6.598 10.321 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.437 -7.402 12.722 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.192 -8.016 9.993 1.00 0.00 C ATOM 0 H ILE A 58 -2.535 -5.541 11.332 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.358 -4.722 13.188 1.00 0.00 H new ATOM 0 HB ILE A 58 1.053 -6.126 11.909 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.343 -6.505 10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.240 -5.882 9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.069 -8.319 12.421 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.160 -7.155 13.747 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.516 -7.546 12.662 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.002 -8.230 8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.261 -8.099 10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.347 -8.731 10.614 1.00 0.00 H new ATOM 908 N LEU A 59 -1.256 -3.430 10.397 1.00 0.00 N ATOM 909 CA LEU A 59 -1.036 -2.323 9.482 1.00 0.00 C ATOM 910 C LEU A 59 -1.185 -1.003 10.241 1.00 0.00 C ATOM 911 O LEU A 59 -1.795 -0.962 11.309 1.00 0.00 O ATOM 912 CB LEU A 59 -1.958 -2.441 8.267 1.00 0.00 C ATOM 913 CG LEU A 59 -1.816 -3.720 7.439 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.916 -3.812 6.380 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.419 -3.824 6.826 1.00 0.00 C ATOM 0 H LEU A 59 -2.153 -3.903 10.286 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.021 -2.351 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.990 -2.367 8.610 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.777 -1.587 7.614 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.939 -4.574 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.792 -4.730 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.891 -3.818 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.850 -2.954 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.345 -4.742 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.242 -2.966 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.327 -3.838 7.621 1.00 0.00 H new ATOM 927 N GLY A 60 -0.618 0.044 9.661 1.00 0.00 N ATOM 928 CA GLY A 60 -0.681 1.362 10.269 1.00 0.00 C ATOM 929 C GLY A 60 -0.421 2.457 9.232 1.00 0.00 C ATOM 930 O GLY A 60 0.315 2.244 8.270 1.00 0.00 O ATOM 0 H GLY A 60 -0.112 0.006 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.661 1.511 10.722 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.055 1.433 11.070 1.00 0.00 H new