USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 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 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0437) USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= 0.708 (180deg=-0.0772) USER MOD Single : A 18 ASN : amide:sc= 0.01 K(o=0.01,f=-2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc=-0.00609 (180deg=-0.209) USER MOD Single : A 25 TYR OH : rot 14:sc= 0.134 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0.194 (180deg=0.0945) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -28:sc= 0.0457 USER MOD Single : A 38 THR OG1 : rot -115:sc= -0.0522 USER MOD Single : A 43 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.0753 X(o=-0.075,f=-0.091) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 10.365 4.215 -0.013 1.00 0.00 N ATOM 51 CA LEU A 6 9.895 4.898 1.198 1.00 0.00 C ATOM 52 C LEU A 6 8.569 4.232 1.585 1.00 0.00 C ATOM 53 O LEU A 6 7.502 4.610 1.086 1.00 0.00 O ATOM 54 CB LEU A 6 9.735 6.436 0.959 1.00 0.00 C ATOM 55 CG LEU A 6 11.056 7.228 0.653 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.758 8.687 0.243 1.00 0.00 C ATOM 57 CD2 LEU A 6 12.058 7.162 1.841 1.00 0.00 C ATOM 0 HA LEU A 6 10.618 4.805 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.046 6.584 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.269 6.874 1.842 1.00 0.00 H new ATOM 0 HG LEU A 6 11.534 6.740 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.694 9.206 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.136 8.694 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.232 9.193 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.958 7.722 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.598 7.595 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.321 6.123 2.038 1.00 0.00 H new ATOM 69 N TYR A 7 8.690 3.171 2.403 1.00 0.00 N ATOM 70 CA TYR A 7 7.574 2.284 2.790 1.00 0.00 C ATOM 71 C TYR A 7 6.497 3.031 3.626 1.00 0.00 C ATOM 72 O TYR A 7 5.623 3.682 3.061 1.00 0.00 O ATOM 73 CB TYR A 7 8.121 1.054 3.565 1.00 0.00 C ATOM 74 CG TYR A 7 9.066 0.112 2.799 1.00 0.00 C ATOM 75 CD1 TYR A 7 8.960 -0.091 1.420 1.00 0.00 C ATOM 76 CD2 TYR A 7 10.039 -0.623 3.486 1.00 0.00 C ATOM 77 CE1 TYR A 7 9.792 -0.983 0.759 1.00 0.00 C ATOM 78 CE2 TYR A 7 10.873 -1.504 2.829 1.00 0.00 C ATOM 79 CZ TYR A 7 10.744 -1.689 1.471 1.00 0.00 C ATOM 80 OH TYR A 7 11.564 -2.590 0.823 1.00 0.00 O ATOM 0 H TYR A 7 9.580 2.900 2.821 1.00 0.00 H new ATOM 0 HA TYR A 7 7.085 1.943 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.646 1.416 4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.271 0.469 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.217 0.456 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.139 -0.498 4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.696 -1.125 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.626 -2.048 3.380 1.00 0.00 H new ATOM 0 HH TYR A 7 12.176 -2.999 1.470 1.00 0.00 H new ATOM 90 N GLU A 8 6.595 2.945 4.967 1.00 0.00 N ATOM 91 CA GLU A 8 5.655 3.562 5.907 1.00 0.00 C ATOM 92 C GLU A 8 6.393 3.755 7.219 1.00 0.00 C ATOM 93 O GLU A 8 6.816 2.776 7.833 1.00 0.00 O ATOM 94 CB GLU A 8 4.395 2.672 6.124 1.00 0.00 C ATOM 95 CG GLU A 8 3.454 3.161 7.250 1.00 0.00 C ATOM 96 CD GLU A 8 2.222 2.265 7.451 1.00 0.00 C ATOM 97 OE1 GLU A 8 2.363 1.161 8.009 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.113 2.646 7.025 1.00 0.00 O ATOM 0 H GLU A 8 7.346 2.434 5.430 1.00 0.00 H new ATOM 0 HA GLU A 8 5.304 4.514 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.833 2.626 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.718 1.656 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.013 3.211 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.123 4.174 7.022 1.00 0.00 H new ATOM 105 N VAL A 9 6.558 5.007 7.635 1.00 0.00 N ATOM 106 CA VAL A 9 7.274 5.330 8.870 1.00 0.00 C ATOM 107 C VAL A 9 6.339 5.225 10.089 1.00 0.00 C ATOM 108 O VAL A 9 5.134 5.486 9.985 1.00 0.00 O ATOM 109 CB VAL A 9 7.945 6.749 8.800 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.950 6.809 7.619 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.890 7.879 8.711 1.00 0.00 C ATOM 0 H VAL A 9 6.204 5.821 7.133 1.00 0.00 H new ATOM 0 HA VAL A 9 8.073 4.597 8.985 1.00 0.00 H new ATOM 0 HB VAL A 9 8.496 6.910 9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.408 7.797 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.724 6.055 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.424 6.617 6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.394 8.844 8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.285 7.742 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.248 7.847 9.591 1.00 0.00 H new ATOM 121 N GLU A 10 6.903 4.785 11.227 1.00 0.00 N ATOM 122 CA GLU A 10 6.244 4.873 12.533 1.00 0.00 C ATOM 123 C GLU A 10 6.257 6.348 12.970 1.00 0.00 C ATOM 124 O GLU A 10 5.197 6.966 13.146 1.00 0.00 O ATOM 125 CB GLU A 10 6.978 3.973 13.575 1.00 0.00 C ATOM 126 CG GLU A 10 6.424 4.042 15.019 1.00 0.00 C ATOM 127 CD GLU A 10 5.066 3.333 15.207 1.00 0.00 C ATOM 128 OE1 GLU A 10 4.021 3.884 14.779 1.00 0.00 O ATOM 129 OE2 GLU A 10 5.040 2.222 15.786 1.00 0.00 O ATOM 0 H GLU A 10 7.829 4.359 11.263 1.00 0.00 H new ATOM 0 HA GLU A 10 5.216 4.517 12.466 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.930 2.939 13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.031 4.253 13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.151 3.596 15.698 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.319 5.088 15.307 1.00 0.00 H new ATOM 136 N ARG A 11 7.488 6.905 13.069 1.00 0.00 N ATOM 137 CA ARG A 11 7.733 8.298 13.498 1.00 0.00 C ATOM 138 C ARG A 11 9.244 8.576 13.447 1.00 0.00 C ATOM 139 O ARG A 11 10.037 7.687 13.088 1.00 0.00 O ATOM 140 CB ARG A 11 7.168 8.552 14.937 1.00 0.00 C ATOM 141 CG ARG A 11 7.998 7.931 16.089 1.00 0.00 C ATOM 142 CD ARG A 11 7.268 7.985 17.446 1.00 0.00 C ATOM 143 NE ARG A 11 6.730 9.327 17.754 1.00 0.00 N ATOM 144 CZ ARG A 11 5.937 9.629 18.800 1.00 0.00 C ATOM 145 NH1 ARG A 11 5.621 8.721 19.713 1.00 0.00 N ATOM 146 NH2 ARG A 11 5.486 10.868 18.938 1.00 0.00 N ATOM 0 H ARG A 11 8.343 6.394 12.851 1.00 0.00 H new ATOM 0 HA ARG A 11 7.215 8.979 12.822 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.099 9.628 15.099 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.153 8.157 14.987 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.229 6.894 15.847 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.948 8.458 16.171 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.451 7.263 17.443 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.956 7.684 18.236 1.00 0.00 H new ATOM 0 HE ARG A 11 6.980 10.087 17.122 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.980 7.770 19.632 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.019 8.974 20.496 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.740 11.582 18.256 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.885 11.107 19.727 1.00 0.00 H new ATOM 160 N ILE A 12 9.644 9.804 13.809 1.00 0.00 N ATOM 161 CA ILE A 12 11.058 10.165 13.949 1.00 0.00 C ATOM 162 C ILE A 12 11.533 9.828 15.375 1.00 0.00 C ATOM 163 O ILE A 12 10.876 10.177 16.367 1.00 0.00 O ATOM 164 CB ILE A 12 11.324 11.685 13.637 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.781 12.063 12.220 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.834 12.025 13.771 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.259 13.403 11.683 1.00 0.00 C ATOM 0 H ILE A 12 9.000 10.568 14.011 1.00 0.00 H new ATOM 0 HA ILE A 12 11.622 9.586 13.218 1.00 0.00 H new ATOM 0 HB ILE A 12 10.785 12.282 14.372 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.071 11.283 11.517 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.692 12.071 12.256 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.990 13.081 13.550 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.166 11.814 14.788 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.407 11.419 13.069 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.828 13.574 10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.945 14.199 12.359 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.346 13.398 11.608 1.00 0.00 H new ATOM 179 N VAL A 13 12.657 9.113 15.435 1.00 0.00 N ATOM 180 CA VAL A 13 13.360 8.769 16.679 1.00 0.00 C ATOM 181 C VAL A 13 14.096 10.007 17.213 1.00 0.00 C ATOM 182 O VAL A 13 13.892 10.435 18.359 1.00 0.00 O ATOM 183 CB VAL A 13 14.400 7.619 16.406 1.00 0.00 C ATOM 184 CG1 VAL A 13 15.174 7.204 17.678 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.728 6.410 15.727 1.00 0.00 C ATOM 0 H VAL A 13 13.118 8.747 14.602 1.00 0.00 H new ATOM 0 HA VAL A 13 12.634 8.429 17.417 1.00 0.00 H new ATOM 0 HB VAL A 13 15.141 8.020 15.715 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.877 6.408 17.433 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.720 8.063 18.068 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.471 6.848 18.431 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.471 5.632 15.551 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.941 6.021 16.373 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.296 6.721 14.776 1.00 0.00 H new ATOM 195 N ASP A 14 14.928 10.583 16.329 1.00 0.00 N ATOM 196 CA ASP A 14 15.878 11.651 16.671 1.00 0.00 C ATOM 197 C ASP A 14 16.441 12.237 15.357 1.00 0.00 C ATOM 198 O ASP A 14 15.964 11.892 14.268 1.00 0.00 O ATOM 199 CB ASP A 14 17.022 11.085 17.587 1.00 0.00 C ATOM 200 CG ASP A 14 17.696 12.164 18.452 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.035 12.680 19.377 1.00 0.00 O ATOM 202 OD2 ASP A 14 18.869 12.512 18.212 1.00 0.00 O ATOM 0 H ASP A 14 14.959 10.316 15.345 1.00 0.00 H new ATOM 0 HA ASP A 14 15.379 12.442 17.230 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.610 10.313 18.237 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.776 10.607 16.962 1.00 0.00 H new ATOM 207 N LYS A 15 17.421 13.143 15.438 1.00 0.00 N ATOM 208 CA LYS A 15 18.184 13.591 14.254 1.00 0.00 C ATOM 209 C LYS A 15 19.677 13.433 14.542 1.00 0.00 C ATOM 210 O LYS A 15 20.093 13.347 15.705 1.00 0.00 O ATOM 211 CB LYS A 15 17.809 15.058 13.843 1.00 0.00 C ATOM 212 CG LYS A 15 18.360 16.207 14.747 1.00 0.00 C ATOM 213 CD LYS A 15 19.759 16.732 14.320 1.00 0.00 C ATOM 214 CE LYS A 15 20.304 17.804 15.275 1.00 0.00 C ATOM 215 NZ LYS A 15 19.426 19.001 15.342 1.00 0.00 N ATOM 0 H LYS A 15 17.710 13.585 16.311 1.00 0.00 H new ATOM 0 HA LYS A 15 17.923 12.969 13.398 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.163 15.227 12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.722 15.136 13.819 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.653 17.036 14.734 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.415 15.851 15.776 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.459 15.898 14.279 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.696 17.145 13.313 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.410 17.378 16.273 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.300 18.105 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.884 19.736 15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.262 19.365 14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.516 18.741 15.773 1.00 0.00 H new ATOM 229 N ARG A 16 20.469 13.414 13.474 1.00 0.00 N ATOM 230 CA ARG A 16 21.927 13.316 13.555 1.00 0.00 C ATOM 231 C ARG A 16 22.534 13.948 12.297 1.00 0.00 C ATOM 232 O ARG A 16 21.809 14.444 11.421 1.00 0.00 O ATOM 233 CB ARG A 16 22.350 11.821 13.751 1.00 0.00 C ATOM 234 CG ARG A 16 22.086 10.871 12.534 1.00 0.00 C ATOM 235 CD ARG A 16 23.384 10.508 11.779 1.00 0.00 C ATOM 236 NE ARG A 16 23.139 9.844 10.486 1.00 0.00 N ATOM 237 CZ ARG A 16 24.094 9.356 9.695 1.00 0.00 C ATOM 238 NH1 ARG A 16 25.351 9.270 10.111 1.00 0.00 N ATOM 239 NH2 ARG A 16 23.783 8.947 8.480 1.00 0.00 N ATOM 0 H ARG A 16 20.116 13.467 12.519 1.00 0.00 H new ATOM 0 HA ARG A 16 22.307 13.863 14.418 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.414 11.792 13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 21.822 11.425 14.618 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.606 9.958 12.886 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.390 11.351 11.846 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.964 11.415 11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 16 23.991 9.855 12.406 1.00 0.00 H new ATOM 0 HE ARG A 16 22.172 9.752 10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 16 25.600 9.580 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 16 26.069 8.894 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 16 22.819 9.006 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.507 8.572 7.867 1.00 0.00 H new ATOM 253 N LYS A 17 23.861 13.964 12.224 1.00 0.00 N ATOM 254 CA LYS A 17 24.579 14.482 11.056 1.00 0.00 C ATOM 255 C LYS A 17 25.441 13.358 10.482 1.00 0.00 C ATOM 256 O LYS A 17 26.116 12.649 11.235 1.00 0.00 O ATOM 257 CB LYS A 17 25.441 15.738 11.435 1.00 0.00 C ATOM 258 CG LYS A 17 25.490 16.857 10.356 1.00 0.00 C ATOM 259 CD LYS A 17 24.388 17.943 10.505 1.00 0.00 C ATOM 260 CE LYS A 17 22.951 17.430 10.321 1.00 0.00 C ATOM 261 NZ LYS A 17 21.950 18.510 10.517 1.00 0.00 N ATOM 0 H LYS A 17 24.470 13.621 12.967 1.00 0.00 H new ATOM 0 HA LYS A 17 23.867 14.812 10.299 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.048 16.163 12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.460 15.411 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.466 17.340 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.400 16.399 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.474 18.395 11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.574 18.732 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.841 17.009 9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.759 16.624 11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.217 18.187 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.420 19.353 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.511 18.747 9.604 1.00 0.00 H new ATOM 275 N ASN A 18 25.387 13.181 9.148 1.00 0.00 N ATOM 276 CA ASN A 18 26.225 12.195 8.428 1.00 0.00 C ATOM 277 C ASN A 18 27.720 12.563 8.564 1.00 0.00 C ATOM 278 O ASN A 18 28.047 13.697 8.932 1.00 0.00 O ATOM 279 CB ASN A 18 25.793 12.143 6.933 1.00 0.00 C ATOM 280 CG ASN A 18 26.473 11.057 6.099 1.00 0.00 C ATOM 281 OD1 ASN A 18 26.834 9.995 6.609 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.656 11.313 4.811 1.00 0.00 N ATOM 0 H ASN A 18 24.765 13.713 8.539 1.00 0.00 H new ATOM 0 HA ASN A 18 26.084 11.207 8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.714 11.992 6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.999 13.112 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.107 10.621 4.213 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.346 12.202 4.419 1.00 0.00 H new ATOM 289 N LYS A 19 28.609 11.601 8.263 1.00 0.00 N ATOM 290 CA LYS A 19 30.077 11.768 8.346 1.00 0.00 C ATOM 291 C LYS A 19 30.588 13.042 7.625 1.00 0.00 C ATOM 292 O LYS A 19 31.539 13.683 8.089 1.00 0.00 O ATOM 293 CB LYS A 19 30.783 10.517 7.754 1.00 0.00 C ATOM 294 CG LYS A 19 30.480 10.252 6.255 1.00 0.00 C ATOM 295 CD LYS A 19 31.414 9.193 5.647 1.00 0.00 C ATOM 296 CE LYS A 19 31.129 8.908 4.163 1.00 0.00 C ATOM 297 NZ LYS A 19 32.037 7.864 3.623 1.00 0.00 N ATOM 0 H LYS A 19 28.328 10.672 7.951 1.00 0.00 H new ATOM 0 HA LYS A 19 30.321 11.881 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 19 31.860 10.631 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.486 9.641 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 19 29.446 9.925 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 19 30.579 11.183 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 19 32.447 9.525 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 19 31.317 8.266 6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 19 30.094 8.587 4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 31.245 9.826 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.817 7.697 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 33.023 8.182 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 31.908 6.981 4.157 1.00 0.00 H new ATOM 311 N LYS A 20 29.936 13.412 6.497 1.00 0.00 N ATOM 312 CA LYS A 20 30.346 14.578 5.676 1.00 0.00 C ATOM 313 C LYS A 20 29.490 15.829 6.018 1.00 0.00 C ATOM 314 O LYS A 20 29.433 16.788 5.239 1.00 0.00 O ATOM 315 CB LYS A 20 30.259 14.238 4.146 1.00 0.00 C ATOM 316 CG LYS A 20 31.336 14.961 3.295 1.00 0.00 C ATOM 317 CD LYS A 20 31.182 14.741 1.776 1.00 0.00 C ATOM 318 CE LYS A 20 29.999 15.515 1.181 1.00 0.00 C ATOM 319 NZ LYS A 20 29.890 15.294 -0.279 1.00 0.00 N ATOM 0 H LYS A 20 29.121 12.918 6.133 1.00 0.00 H new ATOM 0 HA LYS A 20 31.384 14.810 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 20 30.364 13.161 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 20 29.270 14.510 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 20 31.293 16.030 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 20 32.322 14.615 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 32.100 15.047 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 20 31.050 13.677 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 20 29.075 15.202 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 20 30.121 16.579 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 29.081 15.831 -0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 30.763 15.615 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 29.750 14.281 -0.467 1.00 0.00 H new ATOM 333 N GLY A 21 28.846 15.799 7.197 1.00 0.00 N ATOM 334 CA GLY A 21 28.008 16.902 7.682 1.00 0.00 C ATOM 335 C GLY A 21 26.695 17.078 6.922 1.00 0.00 C ATOM 336 O GLY A 21 26.210 18.200 6.777 1.00 0.00 O ATOM 0 H GLY A 21 28.894 15.008 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.784 16.736 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.577 17.829 7.619 1.00 0.00 H new ATOM 340 N LYS A 22 26.116 15.962 6.444 1.00 0.00 N ATOM 341 CA LYS A 22 24.811 15.977 5.738 1.00 0.00 C ATOM 342 C LYS A 22 23.638 15.910 6.736 1.00 0.00 C ATOM 343 O LYS A 22 23.765 15.328 7.820 1.00 0.00 O ATOM 344 CB LYS A 22 24.717 14.808 4.717 1.00 0.00 C ATOM 345 CG LYS A 22 25.614 14.976 3.472 1.00 0.00 C ATOM 346 CD LYS A 22 25.178 16.191 2.612 1.00 0.00 C ATOM 347 CE LYS A 22 25.895 16.260 1.252 1.00 0.00 C ATOM 348 NZ LYS A 22 25.592 15.077 0.407 1.00 0.00 N ATOM 0 H LYS A 22 26.528 15.033 6.532 1.00 0.00 H new ATOM 0 HA LYS A 22 24.743 16.918 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.985 13.879 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.681 14.707 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.650 15.104 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.573 14.069 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.102 16.143 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.374 17.109 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.594 17.167 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.971 16.326 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 25.890 15.264 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 26.104 14.249 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 24.569 14.889 0.427 1.00 0.00 H new ATOM 362 N TRP A 23 22.504 16.522 6.347 1.00 0.00 N ATOM 363 CA TRP A 23 21.268 16.544 7.144 1.00 0.00 C ATOM 364 C TRP A 23 20.659 15.135 7.204 1.00 0.00 C ATOM 365 O TRP A 23 20.243 14.596 6.167 1.00 0.00 O ATOM 366 CB TRP A 23 20.251 17.540 6.529 1.00 0.00 C ATOM 367 CG TRP A 23 20.725 18.977 6.431 1.00 0.00 C ATOM 368 CD1 TRP A 23 21.419 19.546 5.400 1.00 0.00 C ATOM 369 CD2 TRP A 23 20.515 20.022 7.396 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.643 20.873 5.661 1.00 0.00 N ATOM 371 CE2 TRP A 23 21.108 21.186 6.882 1.00 0.00 C ATOM 372 CE3 TRP A 23 19.888 20.082 8.642 1.00 0.00 C ATOM 373 CZ2 TRP A 23 21.087 22.398 7.565 1.00 0.00 C ATOM 374 CZ3 TRP A 23 19.869 21.284 9.323 1.00 0.00 C ATOM 375 CH2 TRP A 23 20.465 22.429 8.784 1.00 0.00 C ATOM 0 H TRP A 23 22.422 17.020 5.461 1.00 0.00 H new ATOM 0 HA TRP A 23 21.507 16.870 8.156 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.988 17.193 5.530 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.339 17.516 7.125 1.00 0.00 H new ATOM 0 HD1 TRP A 23 21.743 19.026 4.510 1.00 0.00 H new ATOM 0 HE1 TRP A 23 22.130 21.523 5.044 1.00 0.00 H new ATOM 0 HE3 TRP A 23 19.425 19.203 9.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 21.545 23.283 7.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 19.386 21.340 10.287 1.00 0.00 H new ATOM 0 HH2 TRP A 23 20.434 23.354 9.340 1.00 0.00 H new ATOM 386 N GLU A 24 20.642 14.530 8.405 1.00 0.00 N ATOM 387 CA GLU A 24 20.087 13.184 8.623 1.00 0.00 C ATOM 388 C GLU A 24 19.070 13.218 9.766 1.00 0.00 C ATOM 389 O GLU A 24 19.197 14.012 10.708 1.00 0.00 O ATOM 390 CB GLU A 24 21.220 12.191 8.981 1.00 0.00 C ATOM 391 CG GLU A 24 22.295 11.994 7.898 1.00 0.00 C ATOM 392 CD GLU A 24 21.808 11.216 6.665 1.00 0.00 C ATOM 393 OE1 GLU A 24 21.468 10.011 6.816 1.00 0.00 O ATOM 394 OE2 GLU A 24 21.795 11.778 5.543 1.00 0.00 O ATOM 0 H GLU A 24 21.013 14.961 9.252 1.00 0.00 H new ATOM 0 HA GLU A 24 19.596 12.858 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.707 12.536 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.773 11.222 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.657 12.971 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 24 23.143 11.467 8.335 1.00 0.00 H new ATOM 401 N TYR A 25 18.060 12.358 9.665 1.00 0.00 N ATOM 402 CA TYR A 25 17.074 12.128 10.724 1.00 0.00 C ATOM 403 C TYR A 25 16.990 10.627 10.999 1.00 0.00 C ATOM 404 O TYR A 25 16.853 9.829 10.068 1.00 0.00 O ATOM 405 CB TYR A 25 15.678 12.701 10.335 1.00 0.00 C ATOM 406 CG TYR A 25 15.591 14.230 10.404 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.220 15.028 9.455 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.907 14.879 11.442 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.185 16.399 9.530 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.864 16.261 11.512 1.00 0.00 C ATOM 411 CZ TYR A 25 15.510 17.012 10.551 1.00 0.00 C ATOM 412 OH TYR A 25 15.487 18.382 10.609 1.00 0.00 O ATOM 0 H TYR A 25 17.899 11.791 8.833 1.00 0.00 H new ATOM 0 HA TYR A 25 17.391 12.649 11.627 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.433 12.379 9.323 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.924 12.274 10.996 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.749 14.558 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.406 14.292 12.198 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.690 16.994 8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.328 16.748 12.313 1.00 0.00 H new ATOM 0 HH TYR A 25 15.794 18.751 9.755 1.00 0.00 H new ATOM 422 N LEU A 26 17.104 10.265 12.276 1.00 0.00 N ATOM 423 CA LEU A 26 16.960 8.889 12.737 1.00 0.00 C ATOM 424 C LEU A 26 15.461 8.570 12.747 1.00 0.00 C ATOM 425 O LEU A 26 14.707 9.188 13.495 1.00 0.00 O ATOM 426 CB LEU A 26 17.594 8.730 14.156 1.00 0.00 C ATOM 427 CG LEU A 26 18.260 7.354 14.474 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.986 7.388 15.835 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.262 6.193 14.413 1.00 0.00 C ATOM 0 H LEU A 26 17.301 10.928 13.026 1.00 0.00 H new ATOM 0 HA LEU A 26 17.480 8.193 12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.345 9.509 14.283 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.817 8.912 14.899 1.00 0.00 H new ATOM 0 HG LEU A 26 19.001 7.176 13.695 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.440 6.416 16.030 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.762 8.153 15.815 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.270 7.618 16.624 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.776 5.259 14.642 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.467 6.358 15.141 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.832 6.135 13.413 1.00 0.00 H new ATOM 441 N ILE A 27 15.033 7.649 11.877 1.00 0.00 N ATOM 442 CA ILE A 27 13.620 7.281 11.714 1.00 0.00 C ATOM 443 C ILE A 27 13.425 5.805 12.086 1.00 0.00 C ATOM 444 O ILE A 27 14.343 5.004 11.964 1.00 0.00 O ATOM 445 CB ILE A 27 13.100 7.492 10.223 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.613 8.831 9.611 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.551 7.425 10.152 1.00 0.00 C ATOM 448 CD1 ILE A 27 13.158 10.065 10.352 1.00 0.00 C ATOM 0 H ILE A 27 15.661 7.133 11.261 1.00 0.00 H new ATOM 0 HA ILE A 27 13.046 7.934 12.371 1.00 0.00 H new ATOM 0 HB ILE A 27 13.509 6.675 9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.703 8.814 9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.276 8.897 8.577 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.227 7.573 9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.213 6.450 10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.124 8.205 10.782 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.558 10.952 9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.069 10.110 10.350 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.518 10.025 11.380 1.00 0.00 H new ATOM 460 N ARG A 28 12.223 5.475 12.547 1.00 0.00 N ATOM 461 CA ARG A 28 11.758 4.091 12.702 1.00 0.00 C ATOM 462 C ARG A 28 10.547 3.896 11.787 1.00 0.00 C ATOM 463 O ARG A 28 9.663 4.765 11.746 1.00 0.00 O ATOM 464 CB ARG A 28 11.409 3.800 14.186 1.00 0.00 C ATOM 465 CG ARG A 28 10.500 4.849 14.861 1.00 0.00 C ATOM 466 CD ARG A 28 10.250 4.543 16.343 1.00 0.00 C ATOM 467 NE ARG A 28 11.514 4.304 17.064 1.00 0.00 N ATOM 468 CZ ARG A 28 11.716 4.413 18.374 1.00 0.00 C ATOM 469 NH1 ARG A 28 10.770 4.855 19.185 1.00 0.00 N ATOM 470 NH2 ARG A 28 12.898 4.083 18.853 1.00 0.00 N ATOM 0 H ARG A 28 11.530 6.168 12.829 1.00 0.00 H new ATOM 0 HA ARG A 28 12.541 3.388 12.419 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.921 2.827 14.245 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.337 3.726 14.754 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.957 5.834 14.769 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.546 4.890 14.336 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.719 5.376 16.803 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.608 3.667 16.432 1.00 0.00 H new ATOM 0 HE ARG A 28 12.317 4.026 16.499 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.860 5.122 18.809 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.950 4.929 20.186 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.630 3.754 18.223 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.081 4.157 19.854 1.00 0.00 H new ATOM 484 N TRP A 29 10.524 2.795 11.013 1.00 0.00 N ATOM 485 CA TRP A 29 9.405 2.511 10.097 1.00 0.00 C ATOM 486 C TRP A 29 8.466 1.471 10.726 1.00 0.00 C ATOM 487 O TRP A 29 8.912 0.563 11.451 1.00 0.00 O ATOM 488 CB TRP A 29 9.895 2.087 8.667 1.00 0.00 C ATOM 489 CG TRP A 29 10.084 0.602 8.462 1.00 0.00 C ATOM 490 CD1 TRP A 29 11.038 -0.179 9.018 1.00 0.00 C ATOM 491 CD2 TRP A 29 9.273 -0.274 7.663 1.00 0.00 C ATOM 492 NE1 TRP A 29 10.897 -1.473 8.610 1.00 0.00 N ATOM 493 CE2 TRP A 29 9.813 -1.563 7.783 1.00 0.00 C ATOM 494 CE3 TRP A 29 8.143 -0.088 6.860 1.00 0.00 C ATOM 495 CZ2 TRP A 29 9.263 -2.666 7.132 1.00 0.00 C ATOM 496 CZ3 TRP A 29 7.595 -1.183 6.219 1.00 0.00 C ATOM 497 CH2 TRP A 29 8.157 -2.457 6.359 1.00 0.00 C ATOM 0 H TRP A 29 11.263 2.092 11.004 1.00 0.00 H new ATOM 0 HA TRP A 29 8.843 3.433 9.950 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.176 2.450 7.932 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.841 2.588 8.462 1.00 0.00 H new ATOM 0 HD1 TRP A 29 11.805 0.173 9.692 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.503 -2.248 8.879 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.707 0.893 6.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.696 -3.650 7.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.719 -1.053 5.600 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.706 -3.293 5.845 1.00 0.00 H new ATOM 508 N LYS A 30 7.178 1.592 10.409 1.00 0.00 N ATOM 509 CA LYS A 30 6.119 0.754 10.972 1.00 0.00 C ATOM 510 C LYS A 30 6.229 -0.671 10.406 1.00 0.00 C ATOM 511 O LYS A 30 6.529 -0.837 9.236 1.00 0.00 O ATOM 512 CB LYS A 30 4.741 1.392 10.647 1.00 0.00 C ATOM 513 CG LYS A 30 3.534 0.797 11.411 1.00 0.00 C ATOM 514 CD LYS A 30 3.776 0.744 12.939 1.00 0.00 C ATOM 515 CE LYS A 30 2.480 0.714 13.762 1.00 0.00 C ATOM 516 NZ LYS A 30 1.755 2.011 13.678 1.00 0.00 N ATOM 0 H LYS A 30 6.835 2.285 9.744 1.00 0.00 H new ATOM 0 HA LYS A 30 6.223 0.690 12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.795 2.459 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.557 1.291 9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.646 1.395 11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.333 -0.209 11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.368 -0.140 13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.366 1.611 13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.837 -0.089 13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.713 0.492 14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.980 2.021 14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.413 2.790 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.365 2.129 12.721 1.00 0.00 H new ATOM 530 N GLY A 31 5.968 -1.685 11.233 1.00 0.00 N ATOM 531 CA GLY A 31 6.236 -3.076 10.862 1.00 0.00 C ATOM 532 C GLY A 31 7.433 -3.618 11.630 1.00 0.00 C ATOM 533 O GLY A 31 7.460 -4.794 12.001 1.00 0.00 O ATOM 0 H GLY A 31 5.571 -1.569 12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.358 -3.688 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.425 -3.142 9.791 1.00 0.00 H new ATOM 537 N TYR A 32 8.433 -2.744 11.876 1.00 0.00 N ATOM 538 CA TYR A 32 9.562 -3.046 12.782 1.00 0.00 C ATOM 539 C TYR A 32 9.430 -2.173 14.038 1.00 0.00 C ATOM 540 O TYR A 32 9.209 -2.678 15.149 1.00 0.00 O ATOM 541 CB TYR A 32 10.930 -2.815 12.068 1.00 0.00 C ATOM 542 CG TYR A 32 11.414 -3.995 11.209 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.747 -4.366 10.041 1.00 0.00 C ATOM 544 CD2 TYR A 32 12.533 -4.748 11.582 1.00 0.00 C ATOM 545 CE1 TYR A 32 11.182 -5.431 9.276 1.00 0.00 C ATOM 546 CE2 TYR A 32 12.968 -5.812 10.820 1.00 0.00 C ATOM 547 CZ TYR A 32 12.288 -6.153 9.672 1.00 0.00 C ATOM 548 OH TYR A 32 12.720 -7.216 8.908 1.00 0.00 O ATOM 0 H TYR A 32 8.481 -1.816 11.455 1.00 0.00 H new ATOM 0 HA TYR A 32 9.531 -4.097 13.070 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.849 -1.931 11.435 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.686 -2.598 12.823 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.875 -3.811 9.729 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.067 -4.491 12.485 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.657 -5.697 8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.838 -6.375 11.122 1.00 0.00 H new ATOM 0 HH TYR A 32 13.511 -7.618 9.324 1.00 0.00 H new ATOM 558 N GLY A 33 9.522 -0.860 13.826 1.00 0.00 N ATOM 559 CA GLY A 33 9.408 0.126 14.892 1.00 0.00 C ATOM 560 C GLY A 33 10.762 0.451 15.495 1.00 0.00 C ATOM 561 O GLY A 33 11.718 0.707 14.753 1.00 0.00 O ATOM 0 H GLY A 33 9.678 -0.452 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.955 1.037 14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.743 -0.252 15.669 1.00 0.00 H new ATOM 565 N SER A 34 10.853 0.403 16.836 1.00 0.00 N ATOM 566 CA SER A 34 12.077 0.745 17.588 1.00 0.00 C ATOM 567 C SER A 34 13.263 -0.170 17.203 1.00 0.00 C ATOM 568 O SER A 34 14.396 0.295 17.031 1.00 0.00 O ATOM 569 CB SER A 34 11.794 0.653 19.100 1.00 0.00 C ATOM 570 OG SER A 34 10.654 1.426 19.451 1.00 0.00 O ATOM 0 H SER A 34 10.075 0.124 17.434 1.00 0.00 H new ATOM 0 HA SER A 34 12.361 1.765 17.330 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.633 -0.388 19.381 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.662 1.004 19.658 1.00 0.00 H new ATOM 0 HG SER A 34 10.492 1.351 20.415 1.00 0.00 H new ATOM 576 N THR A 35 12.962 -1.468 16.991 1.00 0.00 N ATOM 577 CA THR A 35 13.979 -2.484 16.632 1.00 0.00 C ATOM 578 C THR A 35 14.644 -2.188 15.262 1.00 0.00 C ATOM 579 O THR A 35 15.695 -2.749 14.947 1.00 0.00 O ATOM 580 CB THR A 35 13.361 -3.927 16.643 1.00 0.00 C ATOM 581 OG1 THR A 35 14.398 -4.920 16.544 1.00 0.00 O ATOM 582 CG2 THR A 35 12.331 -4.133 15.514 1.00 0.00 C ATOM 0 H THR A 35 12.016 -1.841 17.063 1.00 0.00 H new ATOM 0 HA THR A 35 14.759 -2.433 17.391 1.00 0.00 H new ATOM 0 HB THR A 35 12.837 -4.039 17.592 1.00 0.00 H new ATOM 0 HG1 THR A 35 15.167 -4.544 16.066 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.933 -5.146 15.565 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.517 -3.417 15.629 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.814 -3.981 14.549 1.00 0.00 H new ATOM 590 N GLU A 36 14.012 -1.309 14.453 1.00 0.00 N ATOM 591 CA GLU A 36 14.581 -0.853 13.180 1.00 0.00 C ATOM 592 C GLU A 36 15.685 0.188 13.430 1.00 0.00 C ATOM 593 O GLU A 36 16.842 -0.045 13.088 1.00 0.00 O ATOM 594 CB GLU A 36 13.497 -0.242 12.247 1.00 0.00 C ATOM 595 CG GLU A 36 14.022 0.140 10.843 1.00 0.00 C ATOM 596 CD GLU A 36 14.550 -1.075 10.044 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.725 -1.876 9.549 1.00 0.00 O ATOM 598 OE2 GLU A 36 15.776 -1.249 9.936 1.00 0.00 O ATOM 0 H GLU A 36 13.101 -0.903 14.668 1.00 0.00 H new ATOM 0 HA GLU A 36 15.004 -1.727 12.684 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.681 -0.957 12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.081 0.646 12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.221 0.618 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.821 0.874 10.947 1.00 0.00 H new ATOM 605 N ASP A 37 15.291 1.269 14.133 1.00 0.00 N ATOM 606 CA ASP A 37 15.987 2.590 14.182 1.00 0.00 C ATOM 607 C ASP A 37 17.101 2.798 13.118 1.00 0.00 C ATOM 608 O ASP A 37 18.281 2.502 13.348 1.00 0.00 O ATOM 609 CB ASP A 37 16.501 2.882 15.630 1.00 0.00 C ATOM 610 CG ASP A 37 15.389 3.249 16.637 1.00 0.00 C ATOM 611 OD1 ASP A 37 14.185 3.136 16.311 1.00 0.00 O ATOM 612 OD2 ASP A 37 15.714 3.664 17.767 1.00 0.00 O ATOM 0 H ASP A 37 14.448 1.255 14.707 1.00 0.00 H new ATOM 0 HA ASP A 37 15.231 3.326 13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.033 2.005 15.998 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.222 3.698 15.589 1.00 0.00 H new ATOM 617 N THR A 38 16.686 3.322 11.957 1.00 0.00 N ATOM 618 CA THR A 38 17.540 3.552 10.786 1.00 0.00 C ATOM 619 C THR A 38 17.767 5.062 10.610 1.00 0.00 C ATOM 620 O THR A 38 17.126 5.865 11.280 1.00 0.00 O ATOM 621 CB THR A 38 16.885 2.944 9.498 1.00 0.00 C ATOM 622 OG1 THR A 38 17.771 3.074 8.371 1.00 0.00 O ATOM 623 CG2 THR A 38 15.526 3.590 9.155 1.00 0.00 C ATOM 0 H THR A 38 15.718 3.606 11.803 1.00 0.00 H new ATOM 0 HA THR A 38 18.500 3.059 10.942 1.00 0.00 H new ATOM 0 HB THR A 38 16.706 1.891 9.714 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.369 3.672 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.121 3.129 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.833 3.440 9.983 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.663 4.658 8.985 1.00 0.00 H new ATOM 631 N TRP A 39 18.659 5.456 9.700 1.00 0.00 N ATOM 632 CA TRP A 39 18.979 6.878 9.459 1.00 0.00 C ATOM 633 C TRP A 39 18.732 7.220 7.976 1.00 0.00 C ATOM 634 O TRP A 39 19.359 6.635 7.081 1.00 0.00 O ATOM 635 CB TRP A 39 20.438 7.192 9.909 1.00 0.00 C ATOM 636 CG TRP A 39 21.480 6.199 9.436 1.00 0.00 C ATOM 637 CD1 TRP A 39 22.266 6.289 8.327 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.829 4.954 10.068 1.00 0.00 C ATOM 639 NE1 TRP A 39 23.092 5.204 8.242 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.838 4.368 9.294 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.379 4.281 11.214 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.427 3.153 9.630 1.00 0.00 C ATOM 643 CZ3 TRP A 39 21.960 3.073 11.547 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.974 2.519 10.754 1.00 0.00 C ATOM 0 H TRP A 39 19.181 4.809 9.109 1.00 0.00 H new ATOM 0 HA TRP A 39 18.323 7.511 10.057 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.710 8.183 9.545 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.466 7.234 10.998 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.240 7.102 7.616 1.00 0.00 H new ATOM 0 HE1 TRP A 39 23.786 5.043 7.512 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.593 4.700 11.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 24.213 2.726 9.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 21.628 2.548 12.431 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.407 1.571 11.037 1.00 0.00 H new ATOM 655 N GLU A 40 17.771 8.122 7.728 1.00 0.00 N ATOM 656 CA GLU A 40 17.403 8.573 6.373 1.00 0.00 C ATOM 657 C GLU A 40 17.833 10.041 6.181 1.00 0.00 C ATOM 658 O GLU A 40 17.901 10.788 7.161 1.00 0.00 O ATOM 659 CB GLU A 40 15.866 8.420 6.148 1.00 0.00 C ATOM 660 CG GLU A 40 15.338 6.969 6.249 1.00 0.00 C ATOM 661 CD GLU A 40 16.120 5.970 5.369 1.00 0.00 C ATOM 662 OE1 GLU A 40 16.096 6.122 4.123 1.00 0.00 O ATOM 663 OE2 GLU A 40 16.758 5.026 5.908 1.00 0.00 O ATOM 0 H GLU A 40 17.222 8.564 8.466 1.00 0.00 H new ATOM 0 HA GLU A 40 17.918 7.954 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.343 9.034 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.616 8.815 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.388 6.643 7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.287 6.952 5.960 1.00 0.00 H new ATOM 670 N PRO A 41 18.152 10.482 4.920 1.00 0.00 N ATOM 671 CA PRO A 41 18.464 11.898 4.635 1.00 0.00 C ATOM 672 C PRO A 41 17.215 12.783 4.792 1.00 0.00 C ATOM 673 O PRO A 41 16.095 12.339 4.503 1.00 0.00 O ATOM 674 CB PRO A 41 18.965 11.878 3.168 1.00 0.00 C ATOM 675 CG PRO A 41 18.319 10.667 2.569 1.00 0.00 C ATOM 676 CD PRO A 41 18.249 9.647 3.690 1.00 0.00 C ATOM 0 HA PRO A 41 19.201 12.315 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 41 18.677 12.785 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.052 11.813 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.325 10.901 2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 18.901 10.287 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.385 8.991 3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.133 9.009 3.707 1.00 0.00 H new ATOM 684 N GLU A 42 17.427 14.027 5.245 1.00 0.00 N ATOM 685 CA GLU A 42 16.351 15.015 5.471 1.00 0.00 C ATOM 686 C GLU A 42 15.508 15.222 4.200 1.00 0.00 C ATOM 687 O GLU A 42 14.292 15.096 4.217 1.00 0.00 O ATOM 688 CB GLU A 42 16.971 16.360 5.922 1.00 0.00 C ATOM 689 CG GLU A 42 15.980 17.525 6.121 1.00 0.00 C ATOM 690 CD GLU A 42 16.666 18.840 6.557 1.00 0.00 C ATOM 691 OE1 GLU A 42 17.261 19.523 5.694 1.00 0.00 O ATOM 692 OE2 GLU A 42 16.587 19.209 7.755 1.00 0.00 O ATOM 0 H GLU A 42 18.356 14.383 5.468 1.00 0.00 H new ATOM 0 HA GLU A 42 15.692 14.635 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.503 16.197 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.713 16.662 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.439 17.696 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.242 17.242 6.871 1.00 0.00 H new ATOM 699 N HIS A 43 16.174 15.468 3.076 1.00 0.00 N ATOM 700 CA HIS A 43 15.486 15.821 1.823 1.00 0.00 C ATOM 701 C HIS A 43 14.829 14.601 1.141 1.00 0.00 C ATOM 702 O HIS A 43 14.261 14.741 0.050 1.00 0.00 O ATOM 703 CB HIS A 43 16.466 16.569 0.884 1.00 0.00 C ATOM 704 CG HIS A 43 16.875 17.917 1.425 1.00 0.00 C ATOM 705 ND1 HIS A 43 16.473 19.105 0.859 1.00 0.00 N ATOM 706 CD2 HIS A 43 17.612 18.256 2.510 1.00 0.00 C ATOM 707 CE1 HIS A 43 16.941 20.112 1.570 1.00 0.00 C ATOM 708 NE2 HIS A 43 17.634 19.622 2.579 1.00 0.00 N ATOM 0 H HIS A 43 17.190 15.431 3.000 1.00 0.00 H new ATOM 0 HA HIS A 43 14.660 16.491 2.064 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.356 15.958 0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 43 15.999 16.700 -0.092 1.00 0.00 H new ATOM 0 HD2 HIS A 43 18.094 17.573 3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.783 21.160 1.361 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.109 20.172 3.295 1.00 0.00 H new ATOM 717 N HIS A 44 14.884 13.405 1.780 1.00 0.00 N ATOM 718 CA HIS A 44 14.211 12.212 1.250 1.00 0.00 C ATOM 719 C HIS A 44 13.544 11.356 2.353 1.00 0.00 C ATOM 720 O HIS A 44 13.111 10.238 2.049 1.00 0.00 O ATOM 721 CB HIS A 44 15.224 11.367 0.427 1.00 0.00 C ATOM 722 CG HIS A 44 14.586 10.444 -0.573 1.00 0.00 C ATOM 723 ND1 HIS A 44 14.823 9.091 -0.613 1.00 0.00 N ATOM 724 CD2 HIS A 44 13.721 10.699 -1.580 1.00 0.00 C ATOM 725 CE1 HIS A 44 14.137 8.555 -1.600 1.00 0.00 C ATOM 726 NE2 HIS A 44 13.459 9.508 -2.198 1.00 0.00 N ATOM 0 H HIS A 44 15.385 13.251 2.655 1.00 0.00 H new ATOM 0 HA HIS A 44 13.403 12.551 0.602 1.00 0.00 H new ATOM 0 HB2 HIS A 44 15.901 12.041 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.831 10.777 1.114 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.313 11.663 -1.846 1.00 0.00 H new ATOM 0 HE1 HIS A 44 14.132 7.510 -1.872 1.00 0.00 H new ATOM 0 HE2 HIS A 44 12.837 9.380 -2.996 1.00 0.00 H new ATOM 735 N LEU A 45 13.440 11.846 3.617 1.00 0.00 N ATOM 736 CA LEU A 45 12.857 11.007 4.709 1.00 0.00 C ATOM 737 C LEU A 45 11.339 10.781 4.449 1.00 0.00 C ATOM 738 O LEU A 45 10.852 9.644 4.441 1.00 0.00 O ATOM 739 CB LEU A 45 13.142 11.580 6.157 1.00 0.00 C ATOM 740 CG LEU A 45 12.182 12.692 6.738 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.402 12.935 8.237 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.295 14.016 5.990 1.00 0.00 C ATOM 0 H LEU A 45 13.738 12.779 3.903 1.00 0.00 H new ATOM 0 HA LEU A 45 13.361 10.041 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.133 10.740 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.154 11.984 6.159 1.00 0.00 H new ATOM 0 HG LEU A 45 11.176 12.298 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.717 13.708 8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.216 12.012 8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.429 13.258 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.613 14.743 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.317 14.388 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.035 13.865 4.942 1.00 0.00 H new ATOM 754 N LEU A 46 10.646 11.900 4.176 1.00 0.00 N ATOM 755 CA LEU A 46 9.206 11.997 3.861 1.00 0.00 C ATOM 756 C LEU A 46 9.027 13.241 2.963 1.00 0.00 C ATOM 757 O LEU A 46 9.904 14.115 2.926 1.00 0.00 O ATOM 758 CB LEU A 46 8.289 12.163 5.136 1.00 0.00 C ATOM 759 CG LEU A 46 7.988 10.909 6.030 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.645 9.665 5.192 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.096 10.642 7.072 1.00 0.00 C ATOM 0 H LEU A 46 11.099 12.814 4.168 1.00 0.00 H new ATOM 0 HA LEU A 46 8.900 11.069 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.748 12.919 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.333 12.565 4.802 1.00 0.00 H new ATOM 0 HG LEU A 46 7.092 11.147 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.445 8.823 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.762 9.867 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.485 9.422 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.836 9.764 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.043 10.468 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.193 11.506 7.730 1.00 0.00 H new ATOM 773 N HIS A 47 7.896 13.314 2.256 1.00 0.00 N ATOM 774 CA HIS A 47 7.497 14.505 1.476 1.00 0.00 C ATOM 775 C HIS A 47 6.863 15.572 2.402 1.00 0.00 C ATOM 776 O HIS A 47 6.887 16.771 2.103 1.00 0.00 O ATOM 777 CB HIS A 47 6.494 14.080 0.370 1.00 0.00 C ATOM 778 CG HIS A 47 6.055 15.199 -0.550 1.00 0.00 C ATOM 779 ND1 HIS A 47 6.829 15.655 -1.596 1.00 0.00 N ATOM 780 CD2 HIS A 47 4.931 15.957 -0.564 1.00 0.00 C ATOM 781 CE1 HIS A 47 6.203 16.640 -2.210 1.00 0.00 C ATOM 782 NE2 HIS A 47 5.048 16.841 -1.610 1.00 0.00 N ATOM 0 H HIS A 47 7.223 12.549 2.204 1.00 0.00 H new ATOM 0 HA HIS A 47 8.380 14.944 1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.949 13.292 -0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.612 13.651 0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.098 15.880 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.575 17.190 -3.062 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.354 17.539 -1.878 1.00 0.00 H new ATOM 791 N CYS A 48 6.313 15.104 3.532 1.00 0.00 N ATOM 792 CA CYS A 48 5.537 15.928 4.464 1.00 0.00 C ATOM 793 C CYS A 48 6.411 16.344 5.664 1.00 0.00 C ATOM 794 O CYS A 48 6.967 15.488 6.364 1.00 0.00 O ATOM 795 CB CYS A 48 4.294 15.135 4.926 1.00 0.00 C ATOM 796 SG CYS A 48 3.251 14.546 3.571 1.00 0.00 S ATOM 0 H CYS A 48 6.397 14.131 3.826 1.00 0.00 H new ATOM 0 HA CYS A 48 5.207 16.839 3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.621 14.280 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.696 15.767 5.583 1.00 0.00 H new ATOM 0 HG CYS A 48 2.238 13.892 4.056 1.00 0.00 H new ATOM 802 N GLU A 49 6.537 17.667 5.879 1.00 0.00 N ATOM 803 CA GLU A 49 7.373 18.250 6.952 1.00 0.00 C ATOM 804 C GLU A 49 6.743 18.041 8.356 1.00 0.00 C ATOM 805 O GLU A 49 7.412 18.219 9.376 1.00 0.00 O ATOM 806 CB GLU A 49 7.607 19.763 6.679 1.00 0.00 C ATOM 807 CG GLU A 49 8.614 20.455 7.626 1.00 0.00 C ATOM 808 CD GLU A 49 8.711 21.979 7.423 1.00 0.00 C ATOM 809 OE1 GLU A 49 7.799 22.704 7.882 1.00 0.00 O ATOM 810 OE2 GLU A 49 9.698 22.463 6.823 1.00 0.00 O ATOM 0 H GLU A 49 6.060 18.368 5.311 1.00 0.00 H new ATOM 0 HA GLU A 49 8.331 17.731 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.957 19.881 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.651 20.281 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.326 20.253 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.600 20.014 7.478 1.00 0.00 H new ATOM 817 N GLU A 50 5.447 17.663 8.390 1.00 0.00 N ATOM 818 CA GLU A 50 4.697 17.405 9.646 1.00 0.00 C ATOM 819 C GLU A 50 5.393 16.356 10.543 1.00 0.00 C ATOM 820 O GLU A 50 5.328 16.446 11.772 1.00 0.00 O ATOM 821 CB GLU A 50 3.246 16.988 9.326 1.00 0.00 C ATOM 822 CG GLU A 50 3.123 15.785 8.380 1.00 0.00 C ATOM 823 CD GLU A 50 1.680 15.540 7.921 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.139 16.385 7.170 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.070 14.523 8.309 1.00 0.00 O ATOM 0 H GLU A 50 4.887 17.527 7.548 1.00 0.00 H new ATOM 0 HA GLU A 50 4.679 18.336 10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.734 16.754 10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.727 17.837 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.755 15.948 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.497 14.893 8.882 1.00 0.00 H new ATOM 832 N PHE A 51 6.078 15.390 9.915 1.00 0.00 N ATOM 833 CA PHE A 51 6.878 14.380 10.631 1.00 0.00 C ATOM 834 C PHE A 51 8.072 15.041 11.351 1.00 0.00 C ATOM 835 O PHE A 51 8.364 14.728 12.498 1.00 0.00 O ATOM 836 CB PHE A 51 7.345 13.274 9.656 1.00 0.00 C ATOM 837 CG PHE A 51 6.188 12.478 9.054 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.570 12.886 7.872 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.711 11.329 9.681 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.516 12.172 7.338 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.652 10.620 9.149 1.00 0.00 C ATOM 842 CZ PHE A 51 4.058 11.037 7.976 1.00 0.00 C ATOM 0 H PHE A 51 6.095 15.285 8.901 1.00 0.00 H new ATOM 0 HA PHE A 51 6.253 13.913 11.392 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.923 13.728 8.851 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.012 12.592 10.183 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.921 13.774 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.175 10.988 10.595 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.050 12.501 6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.288 9.737 9.653 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.236 10.476 7.557 1.00 0.00 H new ATOM 852 N ILE A 52 8.715 16.013 10.693 1.00 0.00 N ATOM 853 CA ILE A 52 9.810 16.791 11.306 1.00 0.00 C ATOM 854 C ILE A 52 9.238 17.645 12.459 1.00 0.00 C ATOM 855 O ILE A 52 9.871 17.817 13.504 1.00 0.00 O ATOM 856 CB ILE A 52 10.570 17.697 10.255 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.267 16.836 9.136 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.591 18.623 10.954 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.336 16.247 8.087 1.00 0.00 C ATOM 0 H ILE A 52 8.499 16.284 9.734 1.00 0.00 H new ATOM 0 HA ILE A 52 10.549 16.091 11.696 1.00 0.00 H new ATOM 0 HB ILE A 52 9.822 18.322 9.767 1.00 0.00 H new ATOM 0 HG12 ILE A 52 12.007 17.458 8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.809 16.020 9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.099 19.234 10.208 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.071 19.270 11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.324 18.019 11.488 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.918 15.673 7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.611 15.593 8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.812 17.052 7.573 1.00 0.00 H new ATOM 871 N ASP A 53 7.977 18.082 12.287 1.00 0.00 N ATOM 872 CA ASP A 53 7.265 18.895 13.286 1.00 0.00 C ATOM 873 C ASP A 53 7.011 18.049 14.545 1.00 0.00 C ATOM 874 O ASP A 53 7.184 18.538 15.670 1.00 0.00 O ATOM 875 CB ASP A 53 5.932 19.423 12.696 1.00 0.00 C ATOM 876 CG ASP A 53 5.173 20.410 13.610 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.416 21.629 13.497 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.330 19.972 14.429 1.00 0.00 O ATOM 0 H ASP A 53 7.425 17.881 11.453 1.00 0.00 H new ATOM 0 HA ASP A 53 7.876 19.756 13.558 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.140 19.914 11.745 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.283 18.574 12.481 1.00 0.00 H new ATOM 883 N GLU A 54 6.692 16.740 14.342 1.00 0.00 N ATOM 884 CA GLU A 54 6.389 15.830 15.463 1.00 0.00 C ATOM 885 C GLU A 54 7.693 15.528 16.209 1.00 0.00 C ATOM 886 O GLU A 54 7.686 15.365 17.431 1.00 0.00 O ATOM 887 CB GLU A 54 5.624 14.539 14.994 1.00 0.00 C ATOM 888 CG GLU A 54 6.459 13.357 14.427 1.00 0.00 C ATOM 889 CD GLU A 54 7.015 12.378 15.477 1.00 0.00 C ATOM 890 OE1 GLU A 54 6.256 11.991 16.386 1.00 0.00 O ATOM 891 OE2 GLU A 54 8.197 11.987 15.384 1.00 0.00 O ATOM 0 H GLU A 54 6.641 16.304 13.421 1.00 0.00 H new ATOM 0 HA GLU A 54 5.700 16.315 16.154 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.050 14.165 15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.906 14.836 14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.838 12.798 13.727 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.294 13.765 13.857 1.00 0.00 H new ATOM 898 N PHE A 55 8.827 15.552 15.453 1.00 0.00 N ATOM 899 CA PHE A 55 10.171 15.442 16.037 1.00 0.00 C ATOM 900 C PHE A 55 10.431 16.649 16.957 1.00 0.00 C ATOM 901 O PHE A 55 10.911 16.493 18.086 1.00 0.00 O ATOM 902 CB PHE A 55 11.270 15.333 14.938 1.00 0.00 C ATOM 903 CG PHE A 55 12.692 15.559 15.458 1.00 0.00 C ATOM 904 CD1 PHE A 55 13.264 14.682 16.380 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.443 16.668 15.057 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.522 14.914 16.895 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.708 16.890 15.568 1.00 0.00 C ATOM 908 CZ PHE A 55 15.245 16.008 16.485 1.00 0.00 C ATOM 0 H PHE A 55 8.824 15.647 14.437 1.00 0.00 H new ATOM 0 HA PHE A 55 10.218 14.525 16.624 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.214 14.346 14.479 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.060 16.061 14.155 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.713 13.808 16.695 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.029 17.360 14.339 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.940 14.234 17.623 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.276 17.752 15.251 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.235 16.179 16.881 1.00 0.00 H new ATOM 918 N ASN A 56 10.044 17.842 16.474 1.00 0.00 N ATOM 919 CA ASN A 56 10.254 19.111 17.195 1.00 0.00 C ATOM 920 C ASN A 56 9.384 19.144 18.469 1.00 0.00 C ATOM 921 O ASN A 56 9.660 19.902 19.407 1.00 0.00 O ATOM 922 CB ASN A 56 9.942 20.308 16.258 1.00 0.00 C ATOM 923 CG ASN A 56 10.260 21.676 16.877 1.00 0.00 C ATOM 924 OD1 ASN A 56 9.402 22.317 17.484 1.00 0.00 O ATOM 925 ND2 ASN A 56 11.499 22.129 16.727 1.00 0.00 N ATOM 0 H ASN A 56 9.577 17.955 15.574 1.00 0.00 H new ATOM 0 HA ASN A 56 11.297 19.189 17.502 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.513 20.195 15.336 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.887 20.279 15.985 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.763 23.032 17.120 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.187 21.574 16.218 1.00 0.00 H new ATOM 932 N GLY A 57 8.343 18.289 18.494 1.00 0.00 N ATOM 933 CA GLY A 57 7.542 18.078 19.689 1.00 0.00 C ATOM 934 C GLY A 57 8.219 17.143 20.692 1.00 0.00 C ATOM 935 O GLY A 57 8.291 17.461 21.886 1.00 0.00 O ATOM 0 H GLY A 57 8.046 17.737 17.690 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.348 19.038 20.167 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.575 17.662 19.405 1.00 0.00 H new ATOM 939 N LEU A 58 8.777 16.006 20.198 1.00 0.00 N ATOM 940 CA LEU A 58 9.343 14.946 21.076 1.00 0.00 C ATOM 941 C LEU A 58 10.841 15.166 21.375 1.00 0.00 C ATOM 942 O LEU A 58 11.459 14.338 22.061 1.00 0.00 O ATOM 943 CB LEU A 58 9.043 13.501 20.537 1.00 0.00 C ATOM 944 CG LEU A 58 9.431 13.120 19.061 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.941 13.168 18.764 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.864 11.731 18.700 1.00 0.00 C ATOM 0 H LEU A 58 8.847 15.800 19.201 1.00 0.00 H new ATOM 0 HA LEU A 58 8.826 15.030 22.032 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.548 12.796 21.198 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.972 13.329 20.646 1.00 0.00 H new ATOM 0 HG LEU A 58 8.981 13.889 18.433 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.116 12.891 17.724 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.314 14.177 18.939 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.463 12.470 19.418 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.140 11.480 17.676 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.273 10.983 19.380 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.778 11.747 18.789 1.00 0.00 H new ATOM 958 N HIS A 59 11.425 16.267 20.838 1.00 0.00 N ATOM 959 CA HIS A 59 12.829 16.674 21.131 1.00 0.00 C ATOM 960 C HIS A 59 13.033 16.807 22.659 1.00 0.00 C ATOM 961 O HIS A 59 14.116 16.568 23.188 1.00 0.00 O ATOM 962 CB HIS A 59 13.187 18.016 20.415 1.00 0.00 C ATOM 963 CG HIS A 59 12.794 19.281 21.160 1.00 0.00 C ATOM 964 ND1 HIS A 59 11.488 19.632 21.414 1.00 0.00 N ATOM 965 CD2 HIS A 59 13.553 20.246 21.747 1.00 0.00 C ATOM 966 CE1 HIS A 59 11.460 20.744 22.122 1.00 0.00 C ATOM 967 NE2 HIS A 59 12.696 21.144 22.333 1.00 0.00 N ATOM 0 H HIS A 59 10.943 16.895 20.195 1.00 0.00 H new ATOM 0 HA HIS A 59 13.497 15.902 20.748 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.263 18.038 20.239 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.704 18.026 19.438 1.00 0.00 H new ATOM 0 HD1 HIS A 59 10.668 19.112 21.102 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.632 20.296 21.751 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.569 21.244 22.471 1.00 0.00 H new