USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 449 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 26 CYS SG : rot 176:sc= 0.666 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -13.2! C(o=-19!,f=-21!) USER MOD Set 1.3: A 46 CYS SG : rot -64:sc= -6.39! USER MOD Set 1.4: A 49 CYS SG : rot 72:sc= -1.95! USER MOD Set 1.5: A 51 THR OG1 : rot 132:sc= 1.44! USER MOD Set 2.1: A 24 ASN :FLIP amide:sc= -2.93! C(o=-10!,f=-6.5!) USER MOD Set 2.2: A 57 ASN : amide:sc= -3.58! C(o=-6.5!,f=-7.8!) USER MOD Set 3.1: A 6 CYS SG : rot 56:sc= -8.33! USER MOD Set 3.2: A 9 CYS SG : rot -148:sc= -4.88! USER MOD Set 3.3: A 12 THR OG1 : rot -90:sc= -5.34! USER MOD Set 3.4: A 13 LYS NZ :NH3+ -179:sc= -0.302 (180deg=-0.315) USER MOD Set 3.5: A 31 CYS SG : rot -154:sc= -10.2! USER MOD Set 3.6: A 34 CYS SG : rot 16:sc= -8.5! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -54:sc= 0.0606 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -5.85! C(o=-7.6!,f=-5.9!) USER MOD Single : A 18 SER OG : rot 81:sc= 0.811 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -113:sc= -0.818 (180deg=-1.92) USER MOD Single : A 29 THR OG1 : rot 48:sc= 0.906 USER MOD Single : A 33 SER OG : rot -130:sc= -3.58! USER MOD Single : A 45 ASN : amide:sc= -4.46! C(o=-4.5!,f=-5.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -78:sc= 0.311 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 -9.031 -6.216 -0.925 1.00 0.00 N ATOM 62 CA GLY A 5 -7.607 -6.180 -1.363 1.00 0.00 C ATOM 63 C GLY A 5 -6.769 -5.408 -0.342 1.00 0.00 C ATOM 64 O GLY A 5 -6.090 -5.991 0.480 1.00 0.00 O ATOM 0 HA2 GLY A 5 -7.224 -7.195 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.530 -5.707 -2.342 1.00 0.00 H new ATOM 68 N CYS A 6 -6.808 -4.101 -0.396 1.00 0.00 N ATOM 69 CA CYS A 6 -6.013 -3.277 0.558 1.00 0.00 C ATOM 70 C CYS A 6 -5.947 -3.926 1.953 1.00 0.00 C ATOM 71 O CYS A 6 -6.958 -4.121 2.596 1.00 0.00 O ATOM 72 CB CYS A 6 -6.763 -1.943 0.624 1.00 0.00 C ATOM 73 SG CYS A 6 -6.309 -1.069 2.134 1.00 0.00 S ATOM 0 H CYS A 6 -7.362 -3.567 -1.066 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.979 -3.168 0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.521 -1.335 -0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.839 -2.117 0.602 1.00 0.00 H new ATOM 0 HG CYS A 6 -5.018 -0.926 2.181 1.00 0.00 H new ATOM 78 N PRO A 7 -4.744 -4.212 2.379 1.00 0.00 N ATOM 79 CA PRO A 7 -4.518 -4.807 3.710 1.00 0.00 C ATOM 80 C PRO A 7 -4.290 -3.714 4.770 1.00 0.00 C ATOM 81 O PRO A 7 -4.456 -3.942 5.952 1.00 0.00 O ATOM 82 CB PRO A 7 -3.243 -5.617 3.506 1.00 0.00 C ATOM 83 CG PRO A 7 -2.521 -4.961 2.360 1.00 0.00 C ATOM 84 CD PRO A 7 -3.484 -4.029 1.660 1.00 0.00 C ATOM 0 HA PRO A 7 -5.363 -5.398 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.630 -5.615 4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.473 -6.658 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.655 -4.408 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.149 -5.714 1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.144 -2.995 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.587 -4.281 0.605 1.00 0.00 H new ATOM 92 N ARG A 8 -3.892 -2.534 4.359 1.00 0.00 N ATOM 93 CA ARG A 8 -3.632 -1.437 5.348 1.00 0.00 C ATOM 94 C ARG A 8 -4.880 -0.564 5.548 1.00 0.00 C ATOM 95 O ARG A 8 -5.452 -0.520 6.619 1.00 0.00 O ATOM 96 CB ARG A 8 -2.495 -0.613 4.730 1.00 0.00 C ATOM 97 CG ARG A 8 -1.593 -0.040 5.821 1.00 0.00 C ATOM 98 CD ARG A 8 -0.840 1.170 5.265 1.00 0.00 C ATOM 99 NE ARG A 8 -1.776 2.316 5.440 1.00 0.00 N ATOM 100 CZ ARG A 8 -2.272 2.581 6.618 1.00 0.00 C ATOM 101 NH1 ARG A 8 -1.489 2.609 7.663 1.00 0.00 N ATOM 102 NH2 ARG A 8 -3.549 2.809 6.753 1.00 0.00 N ATOM 0 H ARG A 8 -3.736 -2.282 3.383 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.374 -1.831 6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.909 -1.239 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.910 0.197 4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.189 0.253 6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.887 -0.798 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.093 1.336 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.582 1.027 4.216 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.029 2.894 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.491 2.424 7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.875 2.816 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.161 2.780 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.936 3.016 7.674 1.00 0.00 H new ATOM 116 N CYS A 9 -5.298 0.141 4.531 1.00 0.00 N ATOM 117 CA CYS A 9 -6.508 1.025 4.682 1.00 0.00 C ATOM 118 C CYS A 9 -7.731 0.449 3.970 1.00 0.00 C ATOM 119 O CYS A 9 -8.234 1.051 3.047 1.00 0.00 O ATOM 120 CB CYS A 9 -6.180 2.388 4.041 1.00 0.00 C ATOM 121 SG CYS A 9 -4.754 2.349 2.900 1.00 0.00 S ATOM 0 H CYS A 9 -4.864 0.149 3.608 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.741 1.111 5.743 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.056 2.743 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.980 3.111 4.832 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.137 3.493 2.937 1.00 0.00 H new ATOM 126 N LYS A 10 -8.205 -0.711 4.353 1.00 0.00 N ATOM 127 CA LYS A 10 -9.387 -1.293 3.640 1.00 0.00 C ATOM 128 C LYS A 10 -10.421 -0.190 3.358 1.00 0.00 C ATOM 129 O LYS A 10 -11.241 0.154 4.184 1.00 0.00 O ATOM 130 CB LYS A 10 -9.934 -2.385 4.571 1.00 0.00 C ATOM 131 CG LYS A 10 -10.791 -1.770 5.674 1.00 0.00 C ATOM 132 CD LYS A 10 -10.696 -2.629 6.935 1.00 0.00 C ATOM 133 CE LYS A 10 -11.084 -4.071 6.601 1.00 0.00 C ATOM 134 NZ LYS A 10 -12.354 -4.309 7.341 1.00 0.00 N ATOM 0 H LYS A 10 -7.832 -1.274 5.117 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.129 -1.719 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.527 -3.097 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.107 -2.942 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.455 -0.755 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.828 -1.700 5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.682 -2.597 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.355 -2.234 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.221 -4.204 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.308 -4.771 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.684 -5.279 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.191 -4.182 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.076 -3.633 7.019 1.00 0.00 H new ATOM 148 N THR A 11 -10.355 0.391 2.190 1.00 0.00 N ATOM 149 CA THR A 11 -11.292 1.500 1.845 1.00 0.00 C ATOM 150 C THR A 11 -10.961 2.052 0.462 1.00 0.00 C ATOM 151 O THR A 11 -11.137 3.226 0.212 1.00 0.00 O ATOM 152 CB THR A 11 -10.992 2.587 2.880 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.090 3.487 2.954 1.00 0.00 O ATOM 154 CG2 THR A 11 -9.728 3.346 2.447 1.00 0.00 C ATOM 0 H THR A 11 -9.690 0.144 1.457 1.00 0.00 H new ATOM 0 HA THR A 11 -12.331 1.172 1.844 1.00 0.00 H new ATOM 0 HB THR A 11 -10.834 2.136 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.292 3.831 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.503 4.124 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.890 2.652 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.893 3.801 1.471 1.00 0.00 H new ATOM 162 N THR A 12 -10.437 1.264 -0.418 1.00 0.00 N ATOM 163 CA THR A 12 -10.058 1.841 -1.729 1.00 0.00 C ATOM 164 C THR A 12 -10.842 1.241 -2.890 1.00 0.00 C ATOM 165 O THR A 12 -12.043 1.314 -2.924 1.00 0.00 O ATOM 166 CB THR A 12 -8.579 1.541 -1.824 1.00 0.00 C ATOM 167 OG1 THR A 12 -8.378 0.135 -1.798 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.900 2.177 -0.623 1.00 0.00 C ATOM 0 H THR A 12 -10.256 0.268 -0.296 1.00 0.00 H new ATOM 0 HA THR A 12 -10.283 2.905 -1.794 1.00 0.00 H new ATOM 0 HB THR A 12 -8.165 1.937 -2.751 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.266 -0.162 -0.871 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.829 1.978 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.070 3.254 -0.637 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.313 1.756 0.294 1.00 0.00 H new ATOM 176 N LYS A 13 -10.175 0.675 -3.857 1.00 0.00 N ATOM 177 CA LYS A 13 -10.895 0.101 -5.024 1.00 0.00 C ATOM 178 C LYS A 13 -12.210 -0.537 -4.572 1.00 0.00 C ATOM 179 O LYS A 13 -13.191 -0.532 -5.289 1.00 0.00 O ATOM 180 CB LYS A 13 -9.900 -0.894 -5.620 1.00 0.00 C ATOM 181 CG LYS A 13 -9.901 -2.213 -4.849 1.00 0.00 C ATOM 182 CD LYS A 13 -8.773 -2.178 -3.822 1.00 0.00 C ATOM 183 CE LYS A 13 -8.715 -3.512 -3.078 1.00 0.00 C ATOM 184 NZ LYS A 13 -9.402 -3.255 -1.782 1.00 0.00 N ATOM 0 H LYS A 13 -9.159 0.586 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.193 0.838 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.151 -1.081 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.899 -0.463 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.860 -2.360 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.764 -3.051 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.822 -1.985 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.935 -1.363 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.214 -4.301 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.685 -3.834 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.389 -4.120 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.910 -2.492 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.387 -2.973 -1.961 1.00 0.00 H new ATOM 198 N TYR A 14 -12.263 -1.022 -3.359 1.00 0.00 N ATOM 199 CA TYR A 14 -13.541 -1.575 -2.850 1.00 0.00 C ATOM 200 C TYR A 14 -14.454 -0.392 -2.517 1.00 0.00 C ATOM 201 O TYR A 14 -15.578 -0.299 -2.969 1.00 0.00 O ATOM 202 CB TYR A 14 -13.179 -2.377 -1.591 1.00 0.00 C ATOM 203 CG TYR A 14 -14.442 -2.778 -0.857 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.675 -2.779 -1.523 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.376 -3.149 0.492 1.00 0.00 C ATOM 206 CE1 TYR A 14 -16.839 -3.151 -0.841 1.00 0.00 C ATOM 207 CE2 TYR A 14 -15.541 -3.521 1.173 1.00 0.00 C ATOM 208 CZ TYR A 14 -16.772 -3.522 0.507 1.00 0.00 C ATOM 209 OH TYR A 14 -17.919 -3.889 1.180 1.00 0.00 O ATOM 0 H TYR A 14 -11.480 -1.057 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 14 -14.057 -2.217 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.610 -3.265 -1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.542 -1.779 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.727 -2.493 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.426 -3.148 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.789 -3.152 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -15.490 -3.807 2.213 1.00 0.00 H new ATOM 0 HH TYR A 14 -17.696 -4.118 2.106 1.00 0.00 H new ATOM 219 N ARG A 15 -13.940 0.526 -1.749 1.00 0.00 N ATOM 220 CA ARG A 15 -14.700 1.749 -1.377 1.00 0.00 C ATOM 221 C ARG A 15 -14.384 2.865 -2.386 1.00 0.00 C ATOM 222 O ARG A 15 -15.237 3.326 -3.117 1.00 0.00 O ATOM 223 CB ARG A 15 -14.176 2.112 0.010 1.00 0.00 C ATOM 224 CG ARG A 15 -14.782 1.191 1.078 1.00 0.00 C ATOM 225 CD ARG A 15 -14.547 -0.288 0.726 1.00 0.00 C ATOM 226 NE ARG A 15 -13.070 -0.500 0.745 1.00 0.00 N ATOM 227 CZ ARG A 15 -12.522 -1.123 1.750 1.00 0.00 C ATOM 228 NH1 ARG A 15 -13.039 -1.012 2.942 1.00 0.00 N ATOM 229 NH2 ARG A 15 -11.463 -1.861 1.562 1.00 0.00 N ATOM 0 H ARG A 15 -13.001 0.477 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.780 1.605 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.089 2.030 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.421 3.150 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -14.339 1.413 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.852 1.383 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.042 -0.941 1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.960 -0.523 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.493 -0.159 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.870 -0.439 3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.612 -1.499 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.063 -1.951 0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.035 -2.348 2.349 1.00 0.00 H new ATOM 243 N ASN A 16 -13.136 3.278 -2.431 1.00 0.00 N ATOM 244 CA ASN A 16 -12.704 4.340 -3.387 1.00 0.00 C ATOM 245 C ASN A 16 -12.785 3.804 -4.820 1.00 0.00 C ATOM 246 O ASN A 16 -12.030 2.928 -5.192 1.00 0.00 O ATOM 247 CB ASN A 16 -11.236 4.625 -3.040 1.00 0.00 C ATOM 248 CG ASN A 16 -11.097 5.126 -1.606 1.00 0.00 C ATOM 249 OD1 ASN A 16 -9.960 4.940 -0.985 1.00 0.00 O flip ATOM 250 ND2 ASN A 16 -12.018 5.687 -1.046 1.00 0.00 N flip ATOM 0 H ASN A 16 -12.392 2.916 -1.835 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.329 5.231 -3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.646 3.718 -3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.834 5.368 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.902 5.829 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.907 6.016 -0.087 1.00 0.00 H new ATOM 257 N PRO A 17 -13.692 4.345 -5.578 1.00 0.00 N ATOM 258 CA PRO A 17 -13.855 3.904 -6.982 1.00 0.00 C ATOM 259 C PRO A 17 -12.742 4.484 -7.860 1.00 0.00 C ATOM 260 O PRO A 17 -12.998 5.197 -8.810 1.00 0.00 O ATOM 261 CB PRO A 17 -15.211 4.477 -7.379 1.00 0.00 C ATOM 262 CG PRO A 17 -15.422 5.654 -6.476 1.00 0.00 C ATOM 263 CD PRO A 17 -14.642 5.400 -5.210 1.00 0.00 C ATOM 0 HA PRO A 17 -13.801 2.822 -7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.219 4.778 -8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -16.002 3.738 -7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.084 6.572 -6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.482 5.782 -6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.127 6.299 -4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.295 5.082 -4.397 1.00 0.00 H new ATOM 271 N SER A 18 -11.506 4.185 -7.554 1.00 0.00 N ATOM 272 CA SER A 18 -10.387 4.723 -8.383 1.00 0.00 C ATOM 273 C SER A 18 -9.032 4.417 -7.736 1.00 0.00 C ATOM 274 O SER A 18 -8.185 5.281 -7.622 1.00 0.00 O ATOM 275 CB SER A 18 -10.623 6.232 -8.435 1.00 0.00 C ATOM 276 OG SER A 18 -11.284 6.563 -9.649 1.00 0.00 O ATOM 0 H SER A 18 -11.224 3.595 -6.771 1.00 0.00 H new ATOM 0 HA SER A 18 -10.366 4.273 -9.376 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.225 6.547 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.673 6.763 -8.368 1.00 0.00 H new ATOM 0 HG SER A 18 -12.244 6.386 -9.558 1.00 0.00 H new ATOM 282 N LEU A 19 -8.810 3.199 -7.319 1.00 0.00 N ATOM 283 CA LEU A 19 -7.496 2.863 -6.693 1.00 0.00 C ATOM 284 C LEU A 19 -6.633 2.059 -7.657 1.00 0.00 C ATOM 285 O LEU A 19 -7.126 1.364 -8.518 1.00 0.00 O ATOM 286 CB LEU A 19 -7.816 1.978 -5.463 1.00 0.00 C ATOM 287 CG LEU A 19 -6.681 0.938 -5.251 1.00 0.00 C ATOM 288 CD1 LEU A 19 -6.713 0.366 -3.839 1.00 0.00 C ATOM 289 CD2 LEU A 19 -6.829 -0.216 -6.252 1.00 0.00 C ATOM 0 H LEU A 19 -9.474 2.428 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.956 3.771 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.922 2.600 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.767 1.466 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.732 1.451 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.907 -0.358 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.584 1.172 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.671 -0.126 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.029 -0.939 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.793 -0.704 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.771 0.174 -7.268 1.00 0.00 H new ATOM 301 N LYS A 20 -5.354 2.069 -7.425 1.00 0.00 N ATOM 302 CA LYS A 20 -4.430 1.231 -8.222 1.00 0.00 C ATOM 303 C LYS A 20 -3.547 0.468 -7.232 1.00 0.00 C ATOM 304 O LYS A 20 -3.246 0.957 -6.162 1.00 0.00 O ATOM 305 CB LYS A 20 -3.610 2.187 -9.098 1.00 0.00 C ATOM 306 CG LYS A 20 -3.312 3.476 -8.326 1.00 0.00 C ATOM 307 CD LYS A 20 -4.423 4.494 -8.587 1.00 0.00 C ATOM 308 CE LYS A 20 -3.945 5.511 -9.627 1.00 0.00 C ATOM 309 NZ LYS A 20 -5.069 5.629 -10.596 1.00 0.00 N ATOM 0 H LYS A 20 -4.905 2.633 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.938 0.511 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.678 1.709 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.159 2.418 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.240 3.265 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.350 3.884 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.320 3.987 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.691 5.003 -7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.720 6.472 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.033 5.173 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.816 6.310 -11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.256 4.700 -11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.921 5.959 -10.100 1.00 0.00 H new ATOM 323 N LEU A 21 -3.159 -0.734 -7.548 1.00 0.00 N ATOM 324 CA LEU A 21 -2.335 -1.511 -6.573 1.00 0.00 C ATOM 325 C LEU A 21 -0.917 -1.724 -7.098 1.00 0.00 C ATOM 326 O LEU A 21 -0.719 -2.076 -8.244 1.00 0.00 O ATOM 327 CB LEU A 21 -3.062 -2.850 -6.432 1.00 0.00 C ATOM 328 CG LEU A 21 -3.786 -2.900 -5.084 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.091 -2.103 -5.169 1.00 0.00 C ATOM 330 CD2 LEU A 21 -4.105 -4.354 -4.732 1.00 0.00 C ATOM 0 H LEU A 21 -3.371 -1.210 -8.425 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.232 -0.990 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.777 -2.975 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.350 -3.672 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.146 -2.467 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.604 -2.141 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.868 -1.066 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.731 -2.534 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.621 -4.391 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.744 -4.784 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.179 -4.925 -4.669 1.00 0.00 H new ATOM 342 N MET A 22 0.079 -1.516 -6.274 1.00 0.00 N ATOM 343 CA MET A 22 1.472 -1.712 -6.754 1.00 0.00 C ATOM 344 C MET A 22 2.046 -3.014 -6.212 1.00 0.00 C ATOM 345 O MET A 22 1.689 -3.475 -5.148 1.00 0.00 O ATOM 346 CB MET A 22 2.313 -0.556 -6.207 1.00 0.00 C ATOM 347 CG MET A 22 1.448 0.512 -5.522 1.00 0.00 C ATOM 348 SD MET A 22 2.414 2.030 -5.313 1.00 0.00 S ATOM 349 CE MET A 22 1.026 3.189 -5.366 1.00 0.00 C ATOM 0 H MET A 22 -0.014 -1.222 -5.302 1.00 0.00 H new ATOM 0 HA MET A 22 1.483 -1.746 -7.843 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.042 -0.943 -5.495 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.875 -0.099 -7.022 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.559 0.713 -6.120 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.105 0.150 -4.553 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.095 3.798 -6.267 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.088 2.633 -5.375 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.057 3.834 -4.488 1.00 0.00 H new ATOM 359 N VAL A 23 2.963 -3.583 -6.930 1.00 0.00 N ATOM 360 CA VAL A 23 3.614 -4.836 -6.475 1.00 0.00 C ATOM 361 C VAL A 23 5.045 -4.508 -6.037 1.00 0.00 C ATOM 362 O VAL A 23 5.492 -3.385 -6.159 1.00 0.00 O ATOM 363 CB VAL A 23 3.555 -5.750 -7.705 1.00 0.00 C ATOM 364 CG1 VAL A 23 4.932 -6.348 -8.025 1.00 0.00 C ATOM 365 CG2 VAL A 23 2.570 -6.885 -7.434 1.00 0.00 C ATOM 0 H VAL A 23 3.295 -3.229 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 23 3.139 -5.317 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 23 3.233 -5.155 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.855 -6.991 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.640 -5.544 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.280 -6.935 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.522 -7.540 -8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.903 -7.456 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.582 -6.470 -7.237 1.00 0.00 H new ATOM 375 N ASN A 24 5.765 -5.457 -5.512 1.00 0.00 N ATOM 376 CA ASN A 24 7.151 -5.152 -5.059 1.00 0.00 C ATOM 377 C ASN A 24 8.146 -6.204 -5.546 1.00 0.00 C ATOM 378 O ASN A 24 7.789 -7.188 -6.163 1.00 0.00 O ATOM 379 CB ASN A 24 7.079 -5.162 -3.536 1.00 0.00 C ATOM 380 CG ASN A 24 6.852 -3.738 -3.025 1.00 0.00 C ATOM 381 OD1 ASN A 24 7.816 -2.865 -3.112 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 5.784 -3.417 -2.542 1.00 0.00 N flip ATOM 0 H ASN A 24 5.460 -6.421 -5.377 1.00 0.00 H new ATOM 0 HA ASN A 24 7.497 -4.198 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.269 -5.812 -3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.002 -5.566 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.029 -4.100 -2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.642 -2.465 -2.205 1.00 0.00 H new ATOM 389 N VAL A 25 9.399 -5.989 -5.259 1.00 0.00 N ATOM 390 CA VAL A 25 10.461 -6.947 -5.680 1.00 0.00 C ATOM 391 C VAL A 25 10.063 -8.398 -5.366 1.00 0.00 C ATOM 392 O VAL A 25 10.604 -9.328 -5.932 1.00 0.00 O ATOM 393 CB VAL A 25 11.686 -6.535 -4.864 1.00 0.00 C ATOM 394 CG1 VAL A 25 11.279 -6.295 -3.409 1.00 0.00 C ATOM 395 CG2 VAL A 25 12.730 -7.647 -4.919 1.00 0.00 C ATOM 0 H VAL A 25 9.738 -5.177 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 25 10.640 -6.913 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 25 12.104 -5.618 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.155 -6.001 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.533 -5.502 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.859 -7.211 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.604 -7.354 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.308 -8.563 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.024 -7.819 -5.954 1.00 0.00 H new ATOM 405 N CYS A 26 9.118 -8.609 -4.489 1.00 0.00 N ATOM 406 CA CYS A 26 8.698 -10.015 -4.180 1.00 0.00 C ATOM 407 C CYS A 26 7.426 -10.344 -4.957 1.00 0.00 C ATOM 408 O CYS A 26 7.030 -11.487 -5.072 1.00 0.00 O ATOM 409 CB CYS A 26 8.451 -10.128 -2.657 1.00 0.00 C ATOM 410 SG CYS A 26 8.111 -8.518 -1.896 1.00 0.00 S ATOM 0 H CYS A 26 8.621 -7.881 -3.976 1.00 0.00 H new ATOM 0 HA CYS A 26 9.474 -10.722 -4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.611 -10.798 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.324 -10.575 -2.181 1.00 0.00 H new ATOM 0 HG CYS A 26 7.834 -8.683 -0.637 1.00 0.00 H new ATOM 415 N GLY A 27 6.793 -9.347 -5.503 1.00 0.00 N ATOM 416 CA GLY A 27 5.553 -9.588 -6.290 1.00 0.00 C ATOM 417 C GLY A 27 4.355 -9.698 -5.352 1.00 0.00 C ATOM 418 O GLY A 27 3.635 -10.676 -5.366 1.00 0.00 O ATOM 0 H GLY A 27 7.082 -8.371 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.398 -8.774 -6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.654 -10.503 -6.873 1.00 0.00 H new ATOM 422 N HIS A 28 4.125 -8.704 -4.538 1.00 0.00 N ATOM 423 CA HIS A 28 2.962 -8.772 -3.614 1.00 0.00 C ATOM 424 C HIS A 28 1.864 -7.806 -4.084 1.00 0.00 C ATOM 425 O HIS A 28 1.243 -8.042 -5.100 1.00 0.00 O ATOM 426 CB HIS A 28 3.525 -8.431 -2.227 1.00 0.00 C ATOM 427 CG HIS A 28 3.828 -9.731 -1.537 1.00 0.00 C ATOM 428 ND1 HIS A 28 5.059 -10.040 -0.936 1.00 0.00 N ATOM 429 CD2 HIS A 28 3.052 -10.855 -1.394 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.955 -11.308 -0.483 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.763 -11.841 -0.734 1.00 0.00 N ATOM 0 H HIS A 28 4.688 -7.856 -4.474 1.00 0.00 H new ATOM 0 HA HIS A 28 2.487 -9.753 -3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.426 -7.824 -2.316 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.805 -7.849 -1.652 1.00 0.00 H new ATOM 0 HD1 HIS A 28 5.871 -9.428 -0.857 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.036 -10.954 -1.745 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.751 -11.831 0.026 1.00 0.00 H new ATOM 439 N THR A 29 1.606 -6.730 -3.384 1.00 0.00 N ATOM 440 CA THR A 29 0.533 -5.795 -3.849 1.00 0.00 C ATOM 441 C THR A 29 0.217 -4.758 -2.773 1.00 0.00 C ATOM 442 O THR A 29 0.193 -5.054 -1.596 1.00 0.00 O ATOM 443 CB THR A 29 -0.697 -6.688 -4.105 1.00 0.00 C ATOM 444 OG1 THR A 29 -0.771 -6.994 -5.491 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.000 -5.979 -3.676 1.00 0.00 C ATOM 0 H THR A 29 2.083 -6.460 -2.524 1.00 0.00 H new ATOM 0 HA THR A 29 0.835 -5.244 -4.740 1.00 0.00 H new ATOM 0 HB THR A 29 -0.589 -7.599 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.108 -7.290 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.850 -6.633 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.954 -5.747 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.116 -5.056 -4.244 1.00 0.00 H new ATOM 453 N LEU A 30 -0.071 -3.555 -3.175 1.00 0.00 N ATOM 454 CA LEU A 30 -0.437 -2.519 -2.169 1.00 0.00 C ATOM 455 C LEU A 30 -1.464 -1.559 -2.760 1.00 0.00 C ATOM 456 O LEU A 30 -1.256 -0.962 -3.797 1.00 0.00 O ATOM 457 CB LEU A 30 0.863 -1.795 -1.809 1.00 0.00 C ATOM 458 CG LEU A 30 0.770 -1.165 -0.411 1.00 0.00 C ATOM 459 CD1 LEU A 30 -0.085 -2.032 0.524 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.176 -1.025 0.175 1.00 0.00 C ATOM 0 H LEU A 30 -0.070 -3.244 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.890 -2.956 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.696 -2.497 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.070 -1.021 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 30 0.301 -0.185 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.136 -1.565 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.091 -2.126 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.364 -3.021 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.114 -0.578 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.639 -2.009 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.778 -0.388 -0.473 1.00 0.00 H new ATOM 472 N CYS A 31 -2.582 -1.426 -2.108 1.00 0.00 N ATOM 473 CA CYS A 31 -3.648 -0.528 -2.622 1.00 0.00 C ATOM 474 C CYS A 31 -3.106 0.893 -2.792 1.00 0.00 C ATOM 475 O CYS A 31 -2.055 1.231 -2.284 1.00 0.00 O ATOM 476 CB CYS A 31 -4.764 -0.620 -1.561 1.00 0.00 C ATOM 477 SG CYS A 31 -4.977 0.939 -0.648 1.00 0.00 S ATOM 0 H CYS A 31 -2.804 -1.904 -1.235 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.020 -0.810 -3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.703 -0.886 -2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.530 -1.421 -0.859 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.479 0.690 0.525 1.00 0.00 H new ATOM 482 N GLU A 32 -3.817 1.731 -3.495 1.00 0.00 N ATOM 483 CA GLU A 32 -3.323 3.128 -3.673 1.00 0.00 C ATOM 484 C GLU A 32 -3.234 3.793 -2.299 1.00 0.00 C ATOM 485 O GLU A 32 -2.265 4.449 -1.971 1.00 0.00 O ATOM 486 CB GLU A 32 -4.357 3.809 -4.596 1.00 0.00 C ATOM 487 CG GLU A 32 -5.169 4.888 -3.862 1.00 0.00 C ATOM 488 CD GLU A 32 -4.265 6.078 -3.532 1.00 0.00 C ATOM 489 OE1 GLU A 32 -3.109 6.045 -3.919 1.00 0.00 O ATOM 490 OE2 GLU A 32 -4.745 7.002 -2.896 1.00 0.00 O ATOM 0 H GLU A 32 -4.705 1.515 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.329 3.191 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.843 4.259 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.035 3.056 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.004 5.214 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.594 4.477 -2.946 1.00 0.00 H new ATOM 497 N SER A 33 -4.246 3.626 -1.502 1.00 0.00 N ATOM 498 CA SER A 33 -4.245 4.241 -0.152 1.00 0.00 C ATOM 499 C SER A 33 -3.189 3.596 0.754 1.00 0.00 C ATOM 500 O SER A 33 -2.929 4.085 1.834 1.00 0.00 O ATOM 501 CB SER A 33 -5.652 3.990 0.405 1.00 0.00 C ATOM 502 OG SER A 33 -6.613 4.530 -0.494 1.00 0.00 O ATOM 0 H SER A 33 -5.080 3.085 -1.730 1.00 0.00 H new ATOM 0 HA SER A 33 -4.001 5.302 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.819 2.921 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.755 4.451 1.387 1.00 0.00 H new ATOM 0 HG SER A 33 -7.247 5.090 0.002 1.00 0.00 H new ATOM 508 N CYS A 34 -2.570 2.506 0.358 1.00 0.00 N ATOM 509 CA CYS A 34 -1.552 1.908 1.282 1.00 0.00 C ATOM 510 C CYS A 34 -0.203 2.601 1.111 1.00 0.00 C ATOM 511 O CYS A 34 0.323 3.188 2.035 1.00 0.00 O ATOM 512 CB CYS A 34 -1.414 0.431 0.919 1.00 0.00 C ATOM 513 SG CYS A 34 -2.647 -0.554 1.801 1.00 0.00 S ATOM 0 H CYS A 34 -2.717 2.021 -0.528 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.869 2.030 2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.537 0.301 -0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.413 0.081 1.169 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.569 0.229 2.277 1.00 0.00 H new ATOM 518 N VAL A 35 0.364 2.530 -0.063 1.00 0.00 N ATOM 519 CA VAL A 35 1.685 3.181 -0.294 1.00 0.00 C ATOM 520 C VAL A 35 1.712 4.558 0.388 1.00 0.00 C ATOM 521 O VAL A 35 2.759 5.059 0.748 1.00 0.00 O ATOM 522 CB VAL A 35 1.810 3.282 -1.824 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.587 4.541 -2.222 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.544 2.046 -2.345 1.00 0.00 C ATOM 0 H VAL A 35 -0.030 2.049 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 35 2.522 2.623 0.127 1.00 0.00 H new ATOM 0 HB VAL A 35 0.812 3.340 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.664 4.593 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.064 5.423 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.587 4.504 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.638 2.108 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.537 1.997 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.982 1.150 -2.080 1.00 0.00 H new ATOM 534 N ASP A 36 0.571 5.168 0.576 1.00 0.00 N ATOM 535 CA ASP A 36 0.541 6.503 1.244 1.00 0.00 C ATOM 536 C ASP A 36 0.892 6.374 2.735 1.00 0.00 C ATOM 537 O ASP A 36 1.736 7.082 3.232 1.00 0.00 O ATOM 538 CB ASP A 36 -0.893 7.027 1.020 1.00 0.00 C ATOM 539 CG ASP A 36 -1.712 6.989 2.317 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.289 7.607 3.280 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.749 6.347 2.322 1.00 0.00 O ATOM 0 H ASP A 36 -0.339 4.801 0.297 1.00 0.00 H new ATOM 0 HA ASP A 36 1.278 7.194 0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.854 8.049 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.387 6.424 0.258 1.00 0.00 H new ATOM 546 N LEU A 37 0.262 5.489 3.461 1.00 0.00 N ATOM 547 CA LEU A 37 0.603 5.370 4.908 1.00 0.00 C ATOM 548 C LEU A 37 1.772 4.408 5.102 1.00 0.00 C ATOM 549 O LEU A 37 2.522 4.510 6.049 1.00 0.00 O ATOM 550 CB LEU A 37 -0.664 4.835 5.575 1.00 0.00 C ATOM 551 CG LEU A 37 -1.207 5.883 6.554 1.00 0.00 C ATOM 552 CD1 LEU A 37 -1.476 7.193 5.811 1.00 0.00 C ATOM 553 CD2 LEU A 37 -2.512 5.378 7.171 1.00 0.00 C ATOM 0 H LEU A 37 -0.461 4.854 3.123 1.00 0.00 H new ATOM 0 HA LEU A 37 0.912 6.323 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.415 4.603 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.446 3.907 6.103 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.471 6.055 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.862 7.935 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.549 7.558 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.210 7.021 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.898 6.123 7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.244 5.205 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.326 4.446 7.704 1.00 0.00 H new ATOM 565 N LEU A 38 1.932 3.478 4.214 1.00 0.00 N ATOM 566 CA LEU A 38 3.045 2.496 4.340 1.00 0.00 C ATOM 567 C LEU A 38 4.411 3.194 4.429 1.00 0.00 C ATOM 568 O LEU A 38 5.210 2.898 5.295 1.00 0.00 O ATOM 569 CB LEU A 38 2.962 1.663 3.059 1.00 0.00 C ATOM 570 CG LEU A 38 3.522 0.260 3.306 1.00 0.00 C ATOM 571 CD1 LEU A 38 4.843 0.359 4.073 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.518 -0.552 4.128 1.00 0.00 C ATOM 0 H LEU A 38 1.336 3.351 3.396 1.00 0.00 H new ATOM 0 HA LEU A 38 2.953 1.898 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.926 1.596 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.522 2.151 2.262 1.00 0.00 H new ATOM 0 HG LEU A 38 3.695 -0.232 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.239 -0.642 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.560 0.936 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.672 0.853 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.916 -1.551 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.345 -0.057 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.577 -0.627 3.582 1.00 0.00 H new ATOM 584 N PHE A 39 4.706 4.073 3.512 1.00 0.00 N ATOM 585 CA PHE A 39 6.050 4.739 3.515 1.00 0.00 C ATOM 586 C PHE A 39 6.086 6.018 4.351 1.00 0.00 C ATOM 587 O PHE A 39 7.108 6.361 4.911 1.00 0.00 O ATOM 588 CB PHE A 39 6.339 5.060 2.047 1.00 0.00 C ATOM 589 CG PHE A 39 5.872 3.910 1.193 1.00 0.00 C ATOM 590 CD1 PHE A 39 5.947 2.606 1.693 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.345 4.147 -0.079 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.495 1.537 0.922 1.00 0.00 C ATOM 593 CE2 PHE A 39 4.889 3.076 -0.850 1.00 0.00 C ATOM 594 CZ PHE A 39 4.964 1.771 -0.347 1.00 0.00 C ATOM 0 H PHE A 39 4.080 4.362 2.760 1.00 0.00 H new ATOM 0 HA PHE A 39 6.794 4.083 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.829 5.978 1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.406 5.228 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.355 2.428 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.291 5.154 -0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.556 0.529 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.479 3.254 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.610 0.943 -0.943 1.00 0.00 H new ATOM 604 N VAL A 40 5.014 6.749 4.427 1.00 0.00 N ATOM 605 CA VAL A 40 5.069 8.014 5.216 1.00 0.00 C ATOM 606 C VAL A 40 5.526 7.735 6.653 1.00 0.00 C ATOM 607 O VAL A 40 5.984 8.625 7.343 1.00 0.00 O ATOM 608 CB VAL A 40 3.659 8.594 5.179 1.00 0.00 C ATOM 609 CG1 VAL A 40 3.305 8.972 3.742 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.671 7.562 5.706 1.00 0.00 C ATOM 0 H VAL A 40 4.118 6.536 3.989 1.00 0.00 H new ATOM 0 HA VAL A 40 5.789 8.719 4.799 1.00 0.00 H new ATOM 0 HB VAL A 40 3.611 9.485 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.297 9.387 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.014 9.715 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.351 8.085 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.663 7.976 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.712 6.668 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.930 7.302 6.732 1.00 0.00 H new ATOM 620 N ARG A 41 5.430 6.513 7.115 1.00 0.00 N ATOM 621 CA ARG A 41 5.893 6.223 8.511 1.00 0.00 C ATOM 622 C ARG A 41 7.317 5.658 8.487 1.00 0.00 C ATOM 623 O ARG A 41 8.095 5.886 9.391 1.00 0.00 O ATOM 624 CB ARG A 41 4.939 5.179 9.125 1.00 0.00 C ATOM 625 CG ARG A 41 3.712 4.952 8.243 1.00 0.00 C ATOM 626 CD ARG A 41 2.543 4.474 9.107 1.00 0.00 C ATOM 627 NE ARG A 41 3.007 3.192 9.708 1.00 0.00 N ATOM 628 CZ ARG A 41 3.451 2.235 8.940 1.00 0.00 C ATOM 629 NH1 ARG A 41 3.004 2.115 7.720 1.00 0.00 N ATOM 630 NH2 ARG A 41 4.344 1.396 9.393 1.00 0.00 N ATOM 0 H ARG A 41 5.059 5.716 6.599 1.00 0.00 H new ATOM 0 HA ARG A 41 5.891 7.140 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.469 4.236 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.621 5.512 10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.444 5.875 7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.936 4.213 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.297 5.205 9.877 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.644 4.327 8.508 1.00 0.00 H new ATOM 0 HE ARG A 41 2.978 3.062 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.307 2.770 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.352 1.367 7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.694 1.489 10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.691 0.648 8.793 1.00 0.00 H new ATOM 644 N GLY A 42 7.667 4.914 7.468 1.00 0.00 N ATOM 645 CA GLY A 42 9.042 4.338 7.422 1.00 0.00 C ATOM 646 C GLY A 42 9.475 4.070 5.975 1.00 0.00 C ATOM 647 O GLY A 42 10.621 4.268 5.624 1.00 0.00 O ATOM 0 H GLY A 42 7.067 4.683 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.744 5.025 7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.071 3.410 7.992 1.00 0.00 H new ATOM 651 N ALA A 43 8.587 3.616 5.132 1.00 0.00 N ATOM 652 CA ALA A 43 8.997 3.337 3.718 1.00 0.00 C ATOM 653 C ALA A 43 10.078 2.254 3.687 1.00 0.00 C ATOM 654 O ALA A 43 11.243 2.519 3.909 1.00 0.00 O ATOM 655 CB ALA A 43 9.553 4.665 3.201 1.00 0.00 C ATOM 0 H ALA A 43 7.609 3.427 5.352 1.00 0.00 H new ATOM 0 HA ALA A 43 8.168 2.976 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.877 4.546 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.777 5.429 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.402 4.968 3.815 1.00 0.00 H new ATOM 661 N GLY A 44 9.701 1.035 3.411 1.00 0.00 N ATOM 662 CA GLY A 44 10.706 -0.064 3.366 1.00 0.00 C ATOM 663 C GLY A 44 10.141 -1.304 4.063 1.00 0.00 C ATOM 664 O GLY A 44 10.840 -2.004 4.768 1.00 0.00 O ATOM 0 H GLY A 44 8.741 0.753 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.958 -0.299 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.628 0.252 3.854 1.00 0.00 H new ATOM 668 N ASN A 45 8.880 -1.583 3.871 1.00 0.00 N ATOM 669 CA ASN A 45 8.275 -2.779 4.524 1.00 0.00 C ATOM 670 C ASN A 45 7.047 -3.250 3.741 1.00 0.00 C ATOM 671 O ASN A 45 6.019 -2.602 3.728 1.00 0.00 O ATOM 672 CB ASN A 45 7.872 -2.306 5.922 1.00 0.00 C ATOM 673 CG ASN A 45 9.116 -1.843 6.683 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.526 -0.705 6.564 1.00 0.00 O ATOM 675 ND2 ASN A 45 9.737 -2.682 7.465 1.00 0.00 N ATOM 0 H ASN A 45 8.244 -1.036 3.291 1.00 0.00 H new ATOM 0 HA ASN A 45 8.966 -3.621 4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.153 -1.490 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.381 -3.115 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.567 -2.383 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.393 -3.637 7.565 1.00 0.00 H new ATOM 682 N CYS A 46 7.146 -4.377 3.089 1.00 0.00 N ATOM 683 CA CYS A 46 5.984 -4.894 2.309 1.00 0.00 C ATOM 684 C CYS A 46 4.744 -4.973 3.205 1.00 0.00 C ATOM 685 O CYS A 46 4.834 -5.304 4.371 1.00 0.00 O ATOM 686 CB CYS A 46 6.405 -6.288 1.855 1.00 0.00 C ATOM 687 SG CYS A 46 5.676 -6.684 0.240 1.00 0.00 S ATOM 0 H CYS A 46 7.981 -4.962 3.063 1.00 0.00 H new ATOM 0 HA CYS A 46 5.729 -4.251 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.492 -6.343 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.091 -7.027 2.592 1.00 0.00 H new ATOM 0 HG CYS A 46 4.381 -6.720 0.346 1.00 0.00 H new ATOM 692 N PRO A 47 3.630 -4.658 2.618 1.00 0.00 N ATOM 693 CA PRO A 47 2.331 -4.673 3.344 1.00 0.00 C ATOM 694 C PRO A 47 1.915 -6.100 3.732 1.00 0.00 C ATOM 695 O PRO A 47 1.013 -6.292 4.522 1.00 0.00 O ATOM 696 CB PRO A 47 1.360 -4.081 2.321 1.00 0.00 C ATOM 697 CG PRO A 47 1.998 -4.354 0.998 1.00 0.00 C ATOM 698 CD PRO A 47 3.471 -4.251 1.222 1.00 0.00 C ATOM 0 HA PRO A 47 2.365 -4.121 4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.377 -4.547 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.219 -3.012 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.727 -5.344 0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.666 -3.635 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.027 -4.903 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.833 -3.236 1.055 1.00 0.00 H new ATOM 706 N GLU A 48 2.547 -7.101 3.181 1.00 0.00 N ATOM 707 CA GLU A 48 2.146 -8.506 3.535 1.00 0.00 C ATOM 708 C GLU A 48 3.353 -9.407 3.888 1.00 0.00 C ATOM 709 O GLU A 48 3.192 -10.409 4.557 1.00 0.00 O ATOM 710 CB GLU A 48 1.395 -9.039 2.303 1.00 0.00 C ATOM 711 CG GLU A 48 2.378 -9.625 1.285 1.00 0.00 C ATOM 712 CD GLU A 48 3.455 -8.600 0.977 1.00 0.00 C ATOM 713 OE1 GLU A 48 3.102 -7.491 0.615 1.00 0.00 O ATOM 714 OE2 GLU A 48 4.612 -8.943 1.111 1.00 0.00 O ATOM 0 H GLU A 48 3.312 -7.017 2.511 1.00 0.00 H new ATOM 0 HA GLU A 48 1.526 -8.512 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.680 -9.803 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.823 -8.234 1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.829 -10.535 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.851 -9.901 0.372 1.00 0.00 H new ATOM 721 N CYS A 49 4.550 -9.082 3.463 1.00 0.00 N ATOM 722 CA CYS A 49 5.714 -9.957 3.810 1.00 0.00 C ATOM 723 C CYS A 49 6.836 -9.121 4.441 1.00 0.00 C ATOM 724 O CYS A 49 7.947 -9.579 4.619 1.00 0.00 O ATOM 725 CB CYS A 49 6.150 -10.627 2.486 1.00 0.00 C ATOM 726 SG CYS A 49 7.411 -9.642 1.621 1.00 0.00 S ATOM 0 H CYS A 49 4.770 -8.261 2.899 1.00 0.00 H new ATOM 0 HA CYS A 49 5.457 -10.716 4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.544 -11.622 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.282 -10.756 1.840 1.00 0.00 H new ATOM 0 HG CYS A 49 8.539 -9.722 2.262 1.00 0.00 H new ATOM 731 N GLY A 50 6.534 -7.902 4.796 1.00 0.00 N ATOM 732 CA GLY A 50 7.545 -7.015 5.441 1.00 0.00 C ATOM 733 C GLY A 50 8.936 -7.218 4.830 1.00 0.00 C ATOM 734 O GLY A 50 9.937 -7.012 5.486 1.00 0.00 O ATOM 0 H GLY A 50 5.616 -7.477 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.244 -5.974 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.582 -7.220 6.511 1.00 0.00 H new ATOM 738 N THR A 51 9.022 -7.598 3.584 1.00 0.00 N ATOM 739 CA THR A 51 10.370 -7.778 2.969 1.00 0.00 C ATOM 740 C THR A 51 11.123 -6.443 3.030 1.00 0.00 C ATOM 741 O THR A 51 10.517 -5.390 3.014 1.00 0.00 O ATOM 742 CB THR A 51 10.098 -8.225 1.522 1.00 0.00 C ATOM 743 OG1 THR A 51 10.118 -9.644 1.467 1.00 0.00 O ATOM 744 CG2 THR A 51 11.163 -7.680 0.561 1.00 0.00 C ATOM 0 H THR A 51 8.229 -7.790 2.971 1.00 0.00 H new ATOM 0 HA THR A 51 10.989 -8.514 3.482 1.00 0.00 H new ATOM 0 HB THR A 51 9.126 -7.837 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.328 -9.964 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.943 -8.013 -0.453 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.159 -6.590 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.145 -8.049 0.859 1.00 0.00 H new ATOM 752 N PRO A 52 12.421 -6.533 3.114 1.00 0.00 N ATOM 753 CA PRO A 52 13.264 -5.314 3.195 1.00 0.00 C ATOM 754 C PRO A 52 13.211 -4.520 1.887 1.00 0.00 C ATOM 755 O PRO A 52 14.087 -4.621 1.051 1.00 0.00 O ATOM 756 CB PRO A 52 14.666 -5.867 3.449 1.00 0.00 C ATOM 757 CG PRO A 52 14.627 -7.260 2.912 1.00 0.00 C ATOM 758 CD PRO A 52 13.225 -7.759 3.137 1.00 0.00 C ATOM 0 HA PRO A 52 12.936 -4.621 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.425 -5.269 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.908 -5.859 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.880 -7.275 1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.352 -7.894 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.917 -8.456 2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.133 -8.283 4.089 1.00 0.00 H new ATOM 766 N LEU A 53 12.194 -3.719 1.710 1.00 0.00 N ATOM 767 CA LEU A 53 12.091 -2.907 0.463 1.00 0.00 C ATOM 768 C LEU A 53 13.140 -1.793 0.490 1.00 0.00 C ATOM 769 O LEU A 53 13.359 -1.164 1.505 1.00 0.00 O ATOM 770 CB LEU A 53 10.679 -2.315 0.487 1.00 0.00 C ATOM 771 CG LEU A 53 9.730 -3.194 -0.333 1.00 0.00 C ATOM 772 CD1 LEU A 53 9.944 -4.661 0.034 1.00 0.00 C ATOM 773 CD2 LEU A 53 8.283 -2.800 -0.028 1.00 0.00 C ATOM 0 H LEU A 53 11.431 -3.592 2.375 1.00 0.00 H new ATOM 0 HA LEU A 53 12.265 -3.497 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.324 -2.242 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.693 -1.303 0.082 1.00 0.00 H new ATOM 0 HG LEU A 53 9.932 -3.053 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.268 -5.285 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.975 -4.943 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.742 -4.804 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.605 -3.424 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.084 -2.941 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.128 -1.753 -0.290 1.00 0.00 H new ATOM 785 N ARG A 54 13.792 -1.547 -0.614 1.00 0.00 N ATOM 786 CA ARG A 54 14.828 -0.472 -0.640 1.00 0.00 C ATOM 787 C ARG A 54 14.333 0.761 0.121 1.00 0.00 C ATOM 788 O ARG A 54 15.096 1.442 0.775 1.00 0.00 O ATOM 789 CB ARG A 54 15.022 -0.148 -2.123 1.00 0.00 C ATOM 790 CG ARG A 54 15.530 -1.392 -2.855 1.00 0.00 C ATOM 791 CD ARG A 54 16.487 -0.973 -3.974 1.00 0.00 C ATOM 792 NE ARG A 54 16.699 -2.208 -4.778 1.00 0.00 N ATOM 793 CZ ARG A 54 17.513 -2.191 -5.799 1.00 0.00 C ATOM 794 NH1 ARG A 54 18.519 -1.360 -5.818 1.00 0.00 N ATOM 795 NH2 ARG A 54 17.321 -3.006 -6.800 1.00 0.00 N ATOM 0 H ARG A 54 13.654 -2.041 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 54 15.759 -0.782 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.080 0.185 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.733 0.670 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.040 -2.055 -2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.691 -1.950 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.060 -0.175 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.427 -0.598 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 54 16.208 -3.068 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.670 -0.724 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.155 -1.347 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.535 -3.656 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.957 -2.993 -7.598 1.00 0.00 H new ATOM 809 N LYS A 55 13.060 1.044 0.041 1.00 0.00 N ATOM 810 CA LYS A 55 12.496 2.230 0.758 1.00 0.00 C ATOM 811 C LYS A 55 11.078 2.524 0.257 1.00 0.00 C ATOM 812 O LYS A 55 10.276 3.126 0.944 1.00 0.00 O ATOM 813 CB LYS A 55 13.426 3.407 0.430 1.00 0.00 C ATOM 814 CG LYS A 55 13.791 3.409 -1.062 1.00 0.00 C ATOM 815 CD LYS A 55 12.792 4.272 -1.841 1.00 0.00 C ATOM 816 CE LYS A 55 12.717 5.665 -1.215 1.00 0.00 C ATOM 817 NZ LYS A 55 12.858 6.608 -2.358 1.00 0.00 N ATOM 0 H LYS A 55 12.381 0.502 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 55 12.436 2.055 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.939 4.346 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.333 3.340 1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.802 3.794 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.784 2.390 -1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.098 4.348 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.807 3.805 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.771 5.814 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.510 5.812 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.816 7.586 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.771 6.448 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.085 6.450 -3.036 1.00 0.00 H new ATOM 831 N SER A 56 10.769 2.106 -0.939 1.00 0.00 N ATOM 832 CA SER A 56 9.413 2.356 -1.502 1.00 0.00 C ATOM 833 C SER A 56 9.389 1.977 -2.987 1.00 0.00 C ATOM 834 O SER A 56 9.286 2.824 -3.852 1.00 0.00 O ATOM 835 CB SER A 56 9.180 3.857 -1.327 1.00 0.00 C ATOM 836 OG SER A 56 8.373 4.075 -0.178 1.00 0.00 O ATOM 0 H SER A 56 11.403 1.598 -1.555 1.00 0.00 H new ATOM 0 HA SER A 56 8.641 1.767 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.133 4.375 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.692 4.267 -2.211 1.00 0.00 H new ATOM 0 HG SER A 56 7.438 3.877 -0.393 1.00 0.00 H new ATOM 842 N ASN A 57 9.478 0.708 -3.288 1.00 0.00 N ATOM 843 CA ASN A 57 9.455 0.279 -4.723 1.00 0.00 C ATOM 844 C ASN A 57 8.115 -0.385 -5.041 1.00 0.00 C ATOM 845 O ASN A 57 8.046 -1.556 -5.360 1.00 0.00 O ATOM 846 CB ASN A 57 10.617 -0.720 -4.928 1.00 0.00 C ATOM 847 CG ASN A 57 11.250 -1.127 -3.593 1.00 0.00 C ATOM 848 OD1 ASN A 57 11.912 -0.333 -2.953 1.00 0.00 O ATOM 849 ND2 ASN A 57 11.074 -2.338 -3.147 1.00 0.00 N ATOM 0 H ASN A 57 9.565 -0.048 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 57 9.573 1.134 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.249 -1.607 -5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.375 -0.271 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.492 -2.621 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.519 -3.004 -3.684 1.00 0.00 H new ATOM 856 N PHE A 58 7.050 0.361 -4.955 1.00 0.00 N ATOM 857 CA PHE A 58 5.704 -0.206 -5.248 1.00 0.00 C ATOM 858 C PHE A 58 5.297 0.160 -6.678 1.00 0.00 C ATOM 859 O PHE A 58 5.012 1.300 -6.986 1.00 0.00 O ATOM 860 CB PHE A 58 4.798 0.432 -4.184 1.00 0.00 C ATOM 861 CG PHE A 58 5.246 -0.083 -2.844 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.454 0.356 -2.287 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.461 -1.019 -2.162 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.876 -0.142 -1.049 1.00 0.00 C ATOM 865 CE2 PHE A 58 4.881 -1.513 -0.922 1.00 0.00 C ATOM 866 CZ PHE A 58 6.088 -1.076 -0.365 1.00 0.00 C ATOM 0 H PHE A 58 7.054 1.347 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 58 5.654 -1.294 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.870 1.519 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.754 0.175 -4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.060 1.079 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.531 -1.360 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.809 0.194 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.273 -2.233 -0.394 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.412 -1.459 0.592 1.00 0.00 H new ATOM 876 N ARG A 59 5.287 -0.810 -7.556 1.00 0.00 N ATOM 877 CA ARG A 59 4.919 -0.531 -8.982 1.00 0.00 C ATOM 878 C ARG A 59 3.413 -0.668 -9.163 1.00 0.00 C ATOM 879 O ARG A 59 2.884 -1.751 -9.315 1.00 0.00 O ATOM 880 CB ARG A 59 5.673 -1.558 -9.843 1.00 0.00 C ATOM 881 CG ARG A 59 5.820 -2.899 -9.109 1.00 0.00 C ATOM 882 CD ARG A 59 6.164 -3.998 -10.117 1.00 0.00 C ATOM 883 NE ARG A 59 7.561 -4.399 -9.786 1.00 0.00 N ATOM 884 CZ ARG A 59 8.110 -5.416 -10.393 1.00 0.00 C ATOM 885 NH1 ARG A 59 7.389 -6.459 -10.702 1.00 0.00 N ATOM 886 NH2 ARG A 59 9.380 -5.390 -10.692 1.00 0.00 N ATOM 0 H ARG A 59 5.517 -1.782 -7.350 1.00 0.00 H new ATOM 0 HA ARG A 59 5.191 0.483 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.140 -1.711 -10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.659 -1.169 -10.096 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.601 -2.828 -8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.894 -3.145 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.480 -4.842 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.090 -3.632 -11.141 1.00 0.00 H new ATOM 0 HE ARG A 59 8.088 -3.879 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.396 -6.480 -10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.818 -7.253 -11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.944 -4.575 -10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.809 -6.185 -11.166 1.00 0.00 H new ATOM 900 N VAL A 60 2.727 0.438 -9.116 1.00 0.00 N ATOM 901 CA VAL A 60 1.240 0.424 -9.239 1.00 0.00 C ATOM 902 C VAL A 60 0.780 0.519 -10.692 1.00 0.00 C ATOM 903 O VAL A 60 1.463 1.042 -11.550 1.00 0.00 O ATOM 904 CB VAL A 60 0.787 1.656 -8.455 1.00 0.00 C ATOM 905 CG1 VAL A 60 1.056 2.920 -9.276 1.00 0.00 C ATOM 906 CG2 VAL A 60 -0.710 1.547 -8.163 1.00 0.00 C ATOM 0 H VAL A 60 3.137 1.364 -8.996 1.00 0.00 H new ATOM 0 HA VAL A 60 0.817 -0.507 -8.861 1.00 0.00 H new ATOM 0 HB VAL A 60 1.341 1.712 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.732 3.795 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.123 2.998 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.505 2.868 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.036 2.424 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.261 1.490 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.902 0.650 -7.575 1.00 0.00 H new ATOM 916 N GLN A 61 -0.391 0.011 -10.953 1.00 0.00 N ATOM 917 CA GLN A 61 -0.950 0.050 -12.330 1.00 0.00 C ATOM 918 C GLN A 61 -2.475 -0.045 -12.257 1.00 0.00 C ATOM 919 O GLN A 61 -3.033 -0.431 -11.242 1.00 0.00 O ATOM 920 CB GLN A 61 -0.363 -1.173 -13.034 1.00 0.00 C ATOM 921 CG GLN A 61 -0.838 -2.445 -12.329 1.00 0.00 C ATOM 922 CD GLN A 61 -0.430 -3.667 -13.154 1.00 0.00 C ATOM 923 OE1 GLN A 61 0.660 -3.716 -13.690 1.00 0.00 O ATOM 924 NE2 GLN A 61 -1.262 -4.664 -13.277 1.00 0.00 N ATOM 0 H GLN A 61 -0.992 -0.436 -10.260 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.705 0.970 -12.861 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.672 -1.187 -14.079 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.726 -1.124 -13.024 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.403 -2.505 -11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.921 -2.422 -12.204 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.177 -4.623 -12.827 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.998 -5.484 -13.823 1.00 0.00 H new ATOM 933 N LEU A 62 -3.150 0.305 -13.318 1.00 0.00 N ATOM 934 CA LEU A 62 -4.640 0.240 -13.311 1.00 0.00 C ATOM 935 C LEU A 62 -5.178 0.293 -14.743 1.00 0.00 C ATOM 936 O LEU A 62 -5.569 1.334 -15.232 1.00 0.00 O ATOM 937 CB LEU A 62 -5.079 1.478 -12.527 1.00 0.00 C ATOM 938 CG LEU A 62 -6.308 1.143 -11.682 1.00 0.00 C ATOM 939 CD1 LEU A 62 -6.010 -0.081 -10.810 1.00 0.00 C ATOM 940 CD2 LEU A 62 -6.646 2.341 -10.791 1.00 0.00 C ATOM 0 H LEU A 62 -2.734 0.633 -14.190 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.015 -0.682 -12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.267 1.821 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.309 2.293 -13.214 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.154 0.922 -12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.886 -0.320 -10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.765 -0.931 -11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.167 0.136 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.522 2.108 -10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.801 2.559 -10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.856 3.210 -11.414 1.00 0.00 H new