USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 587 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 17 HIS : no HE2:sc=-0.000268 K(o=-0.00027,f=-1.5) USER MOD Set 1.2: A 20 THR OG1 : rot -160:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.415) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 66:sc= 1.31 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0903 (180deg=-0.453) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -149:sc= -1.33 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.68 K(o=-1.7,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0247 (180deg=-0.19) USER MOD Single : A 49 THR OG1 : rot -150:sc= -1.71! USER MOD Single : A 51 SER OG : rot -32:sc= 0.0395 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 170:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= -0.174 (180deg=-0.209) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 8.942 -14.650 4.939 1.00 0.00 N ATOM 33 CA TYR A 3 9.047 -14.266 3.540 1.00 0.00 C ATOM 34 C TYR A 3 8.002 -15.001 2.715 1.00 0.00 C ATOM 35 O TYR A 3 8.143 -16.183 2.393 1.00 0.00 O ATOM 36 CB TYR A 3 10.458 -14.512 3.007 1.00 0.00 C ATOM 37 CG TYR A 3 11.485 -13.594 3.631 1.00 0.00 C ATOM 38 CD1 TYR A 3 11.224 -12.234 3.774 1.00 0.00 C ATOM 39 CD2 TYR A 3 12.710 -14.076 4.074 1.00 0.00 C ATOM 40 CE1 TYR A 3 12.153 -11.384 4.339 1.00 0.00 C ATOM 41 CE2 TYR A 3 13.645 -13.229 4.641 1.00 0.00 C ATOM 42 CZ TYR A 3 13.360 -11.885 4.773 1.00 0.00 C ATOM 43 OH TYR A 3 14.291 -11.037 5.332 1.00 0.00 O ATOM 0 HA TYR A 3 8.854 -13.196 3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.739 -15.548 3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.463 -14.374 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.278 -11.837 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.936 -15.127 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.934 -10.331 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 3 14.594 -13.618 4.979 1.00 0.00 H new ATOM 0 HH TYR A 3 15.087 -11.548 5.587 1.00 0.00 H new ATOM 53 N LYS A 4 6.952 -14.277 2.383 1.00 0.00 N ATOM 54 CA LYS A 4 5.766 -14.847 1.779 1.00 0.00 C ATOM 55 C LYS A 4 5.836 -14.738 0.257 1.00 0.00 C ATOM 56 O LYS A 4 5.915 -13.643 -0.295 1.00 0.00 O ATOM 57 CB LYS A 4 4.556 -14.109 2.353 1.00 0.00 C ATOM 58 CG LYS A 4 3.207 -14.733 2.052 1.00 0.00 C ATOM 59 CD LYS A 4 2.179 -14.314 3.100 1.00 0.00 C ATOM 60 CE LYS A 4 2.165 -12.802 3.316 1.00 0.00 C ATOM 61 NZ LYS A 4 1.400 -12.420 4.534 1.00 0.00 N ATOM 0 H LYS A 4 6.898 -13.269 2.526 1.00 0.00 H new ATOM 0 HA LYS A 4 5.683 -15.910 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.673 -14.042 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.559 -13.089 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.871 -14.427 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.297 -15.819 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.188 -14.645 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.399 -14.813 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.189 -12.439 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.726 -12.315 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.415 -11.386 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.416 -12.744 4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.833 -12.863 5.369 1.00 0.00 H new ATOM 75 N ALA A 5 5.823 -15.886 -0.409 1.00 0.00 N ATOM 76 CA ALA A 5 6.016 -15.942 -1.854 1.00 0.00 C ATOM 77 C ALA A 5 4.731 -15.629 -2.615 1.00 0.00 C ATOM 78 O ALA A 5 3.636 -16.018 -2.198 1.00 0.00 O ATOM 79 CB ALA A 5 6.542 -17.312 -2.257 1.00 0.00 C ATOM 0 H ALA A 5 5.680 -16.795 0.030 1.00 0.00 H new ATOM 0 HA ALA A 5 6.747 -15.178 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.683 -17.344 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.495 -17.496 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.825 -18.078 -1.962 1.00 0.00 H new ATOM 85 N PRO A 6 4.856 -14.917 -3.748 1.00 0.00 N ATOM 86 CA PRO A 6 3.725 -14.609 -4.615 1.00 0.00 C ATOM 87 C PRO A 6 3.354 -15.794 -5.501 1.00 0.00 C ATOM 88 O PRO A 6 4.115 -16.184 -6.391 1.00 0.00 O ATOM 89 CB PRO A 6 4.243 -13.449 -5.462 1.00 0.00 C ATOM 90 CG PRO A 6 5.712 -13.674 -5.549 1.00 0.00 C ATOM 91 CD PRO A 6 6.115 -14.338 -4.258 1.00 0.00 C ATOM 0 HA PRO A 6 2.821 -14.372 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.784 -13.444 -6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.016 -12.488 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.959 -14.304 -6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.242 -12.731 -5.684 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.870 -15.107 -4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.538 -13.621 -3.555 1.00 0.00 H new ATOM 99 N GLU A 7 2.190 -16.367 -5.248 1.00 0.00 N ATOM 100 CA GLU A 7 1.736 -17.547 -5.971 1.00 0.00 C ATOM 101 C GLU A 7 1.381 -17.212 -7.418 1.00 0.00 C ATOM 102 O GLU A 7 1.926 -17.804 -8.350 1.00 0.00 O ATOM 103 CB GLU A 7 0.537 -18.152 -5.247 1.00 0.00 C ATOM 104 CG GLU A 7 0.866 -18.615 -3.838 1.00 0.00 C ATOM 105 CD GLU A 7 -0.343 -18.619 -2.932 1.00 0.00 C ATOM 106 OE1 GLU A 7 -1.216 -19.496 -3.097 1.00 0.00 O ATOM 107 OE2 GLU A 7 -0.430 -17.730 -2.059 1.00 0.00 O ATOM 0 H GLU A 7 1.535 -16.032 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 7 2.548 -18.274 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.264 -17.414 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.161 -18.998 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.289 -19.619 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.631 -17.964 -3.415 1.00 0.00 H new ATOM 114 N GLY A 8 0.475 -16.260 -7.607 1.00 0.00 N ATOM 115 CA GLY A 8 0.085 -15.872 -8.952 1.00 0.00 C ATOM 116 C GLY A 8 -0.467 -14.462 -9.023 1.00 0.00 C ATOM 117 O GLY A 8 -1.363 -14.178 -9.817 1.00 0.00 O ATOM 0 H GLY A 8 0.005 -15.751 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.948 -15.952 -9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.666 -16.570 -9.323 1.00 0.00 H new ATOM 121 N LYS A 9 0.076 -13.574 -8.208 1.00 0.00 N ATOM 122 CA LYS A 9 -0.401 -12.198 -8.152 1.00 0.00 C ATOM 123 C LYS A 9 0.733 -11.217 -8.432 1.00 0.00 C ATOM 124 O LYS A 9 1.895 -11.497 -8.122 1.00 0.00 O ATOM 125 CB LYS A 9 -1.023 -11.916 -6.782 1.00 0.00 C ATOM 126 CG LYS A 9 -0.096 -12.223 -5.617 1.00 0.00 C ATOM 127 CD LYS A 9 -0.807 -12.063 -4.289 1.00 0.00 C ATOM 128 CE LYS A 9 0.112 -12.396 -3.131 1.00 0.00 C ATOM 129 NZ LYS A 9 -0.477 -12.020 -1.823 1.00 0.00 N ATOM 0 H LYS A 9 0.848 -13.779 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.161 -12.064 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.317 -10.867 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.933 -12.507 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.282 -13.241 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.767 -11.558 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.167 -11.039 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.681 -12.713 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.328 -13.464 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.062 -11.878 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.014 -12.562 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.335 -11.003 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.495 -12.231 -1.827 1.00 0.00 H new ATOM 143 N GLY A 10 0.399 -10.077 -9.028 1.00 0.00 N ATOM 144 CA GLY A 10 1.399 -9.076 -9.313 1.00 0.00 C ATOM 145 C GLY A 10 1.313 -7.881 -8.380 1.00 0.00 C ATOM 146 O GLY A 10 1.025 -8.022 -7.189 1.00 0.00 O ATOM 0 H GLY A 10 -0.548 -9.832 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.389 -9.524 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.285 -8.737 -10.343 1.00 0.00 H new ATOM 150 N TYR A 11 1.516 -6.697 -8.942 1.00 0.00 N ATOM 151 CA TYR A 11 1.639 -5.462 -8.168 1.00 0.00 C ATOM 152 C TYR A 11 0.281 -4.905 -7.751 1.00 0.00 C ATOM 153 O TYR A 11 0.185 -3.787 -7.247 1.00 0.00 O ATOM 154 CB TYR A 11 2.410 -4.418 -8.980 1.00 0.00 C ATOM 155 CG TYR A 11 1.726 -4.018 -10.266 1.00 0.00 C ATOM 156 CD1 TYR A 11 1.549 -4.931 -11.296 1.00 0.00 C ATOM 157 CD2 TYR A 11 1.260 -2.726 -10.450 1.00 0.00 C ATOM 158 CE1 TYR A 11 0.921 -4.573 -12.467 1.00 0.00 C ATOM 159 CE2 TYR A 11 0.631 -2.356 -11.619 1.00 0.00 C ATOM 160 CZ TYR A 11 0.465 -3.281 -12.628 1.00 0.00 C ATOM 161 OH TYR A 11 -0.164 -2.915 -13.796 1.00 0.00 O ATOM 0 H TYR A 11 1.601 -6.562 -9.949 1.00 0.00 H new ATOM 0 HA TYR A 11 2.185 -5.697 -7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.556 -3.529 -8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.400 -4.811 -9.213 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.911 -5.941 -11.176 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.392 -1.997 -9.664 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.786 -5.299 -13.255 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.270 -1.346 -11.744 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.424 -1.971 -13.746 1.00 0.00 H new ATOM 171 N ALA A 12 -0.757 -5.694 -7.937 1.00 0.00 N ATOM 172 CA ALA A 12 -2.096 -5.293 -7.540 1.00 0.00 C ATOM 173 C ALA A 12 -2.311 -5.618 -6.073 1.00 0.00 C ATOM 174 O ALA A 12 -2.907 -4.839 -5.328 1.00 0.00 O ATOM 175 CB ALA A 12 -3.145 -5.985 -8.400 1.00 0.00 C ATOM 0 H ALA A 12 -0.701 -6.620 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.200 -4.218 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.140 -5.670 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.993 -5.716 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.054 -7.065 -8.286 1.00 0.00 H new ATOM 181 N ASP A 13 -1.786 -6.763 -5.658 1.00 0.00 N ATOM 182 CA ASP A 13 -1.930 -7.216 -4.283 1.00 0.00 C ATOM 183 C ASP A 13 -1.097 -6.351 -3.352 1.00 0.00 C ATOM 184 O ASP A 13 -1.509 -6.057 -2.230 1.00 0.00 O ATOM 185 CB ASP A 13 -1.515 -8.681 -4.158 1.00 0.00 C ATOM 186 CG ASP A 13 -1.785 -9.261 -2.780 1.00 0.00 C ATOM 187 OD1 ASP A 13 -2.942 -9.651 -2.510 1.00 0.00 O ATOM 188 OD2 ASP A 13 -0.832 -9.375 -1.978 1.00 0.00 O ATOM 0 H ASP A 13 -1.255 -7.396 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.978 -7.127 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.049 -9.269 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.452 -8.772 -4.382 1.00 0.00 H new ATOM 193 N VAL A 14 0.064 -5.912 -3.827 1.00 0.00 N ATOM 194 CA VAL A 14 0.916 -5.065 -3.026 1.00 0.00 C ATOM 195 C VAL A 14 0.312 -3.673 -2.894 1.00 0.00 C ATOM 196 O VAL A 14 0.298 -3.102 -1.807 1.00 0.00 O ATOM 197 CB VAL A 14 2.346 -4.979 -3.593 1.00 0.00 C ATOM 198 CG1 VAL A 14 2.350 -4.678 -5.073 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.132 -3.929 -2.851 1.00 0.00 C ATOM 0 H VAL A 14 0.427 -6.130 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 14 0.985 -5.518 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 14 2.814 -5.953 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.378 -4.626 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.819 -5.467 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.855 -3.723 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.142 -3.875 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.643 -2.961 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.181 -4.190 -1.794 1.00 0.00 H new ATOM 209 N ALA A 15 -0.210 -3.142 -3.997 1.00 0.00 N ATOM 210 CA ALA A 15 -0.890 -1.857 -3.969 1.00 0.00 C ATOM 211 C ALA A 15 -2.062 -1.914 -3.003 1.00 0.00 C ATOM 212 O ALA A 15 -2.336 -0.961 -2.276 1.00 0.00 O ATOM 213 CB ALA A 15 -1.365 -1.472 -5.361 1.00 0.00 C ATOM 0 H ALA A 15 -0.174 -3.582 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.188 -1.096 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.871 -0.508 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.508 -1.403 -6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.056 -2.229 -5.732 1.00 0.00 H new ATOM 219 N THR A 16 -2.730 -3.059 -2.984 1.00 0.00 N ATOM 220 CA THR A 16 -3.840 -3.279 -2.080 1.00 0.00 C ATOM 221 C THR A 16 -3.365 -3.338 -0.629 1.00 0.00 C ATOM 222 O THR A 16 -3.952 -2.695 0.243 1.00 0.00 O ATOM 223 CB THR A 16 -4.602 -4.574 -2.429 1.00 0.00 C ATOM 224 OG1 THR A 16 -5.087 -4.499 -3.774 1.00 0.00 O ATOM 225 CG2 THR A 16 -5.772 -4.799 -1.480 1.00 0.00 C ATOM 0 H THR A 16 -2.517 -3.852 -3.590 1.00 0.00 H new ATOM 0 HA THR A 16 -4.519 -2.434 -2.195 1.00 0.00 H new ATOM 0 HB THR A 16 -3.912 -5.412 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.329 -4.485 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.289 -5.719 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.401 -4.879 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.464 -3.960 -1.550 1.00 0.00 H new ATOM 233 N HIS A 17 -2.289 -4.083 -0.357 1.00 0.00 N ATOM 234 CA HIS A 17 -1.851 -4.245 1.025 1.00 0.00 C ATOM 235 C HIS A 17 -1.092 -3.015 1.520 1.00 0.00 C ATOM 236 O HIS A 17 -0.983 -2.792 2.724 1.00 0.00 O ATOM 237 CB HIS A 17 -1.004 -5.508 1.212 1.00 0.00 C ATOM 238 CG HIS A 17 -1.030 -6.017 2.627 1.00 0.00 C ATOM 239 ND1 HIS A 17 -0.119 -6.920 3.129 1.00 0.00 N ATOM 240 CD2 HIS A 17 -1.880 -5.742 3.651 1.00 0.00 C ATOM 241 CE1 HIS A 17 -0.407 -7.177 4.392 1.00 0.00 C ATOM 242 NE2 HIS A 17 -1.468 -6.477 4.732 1.00 0.00 N ATOM 0 H HIS A 17 -1.723 -4.568 -1.054 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.752 -4.355 1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.368 -6.287 0.543 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.026 -5.296 0.925 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.657 -7.327 2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.724 -5.069 3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.138 -7.850 5.038 1.00 0.00 H new ATOM 251 N PHE A 18 -0.572 -2.215 0.600 1.00 0.00 N ATOM 252 CA PHE A 18 0.150 -1.010 0.980 1.00 0.00 C ATOM 253 C PHE A 18 -0.807 0.022 1.555 1.00 0.00 C ATOM 254 O PHE A 18 -0.432 0.822 2.408 1.00 0.00 O ATOM 255 CB PHE A 18 0.905 -0.423 -0.206 1.00 0.00 C ATOM 256 CG PHE A 18 2.338 -0.142 0.115 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.273 -1.158 0.052 1.00 0.00 C ATOM 258 CD2 PHE A 18 2.751 1.131 0.469 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.600 -0.912 0.343 1.00 0.00 C ATOM 260 CE2 PHE A 18 4.075 1.384 0.763 1.00 0.00 C ATOM 261 CZ PHE A 18 5.002 0.362 0.696 1.00 0.00 C ATOM 0 H PHE A 18 -0.635 -2.376 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 18 0.878 -1.283 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.852 -1.116 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.418 0.500 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.963 -2.154 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.030 1.934 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.322 -1.714 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.386 2.379 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.040 0.559 0.919 1.00 0.00 H new ATOM 271 N ARG A 19 -2.053 -0.021 1.099 1.00 0.00 N ATOM 272 CA ARG A 19 -3.095 0.848 1.629 1.00 0.00 C ATOM 273 C ARG A 19 -3.315 0.574 3.114 1.00 0.00 C ATOM 274 O ARG A 19 -3.803 1.432 3.851 1.00 0.00 O ATOM 275 CB ARG A 19 -4.403 0.641 0.863 1.00 0.00 C ATOM 276 CG ARG A 19 -4.381 1.180 -0.559 1.00 0.00 C ATOM 277 CD ARG A 19 -4.211 2.694 -0.582 1.00 0.00 C ATOM 278 NE ARG A 19 -5.222 3.374 0.229 1.00 0.00 N ATOM 279 CZ ARG A 19 -6.326 3.938 -0.263 1.00 0.00 C ATOM 280 NH1 ARG A 19 -6.573 3.914 -1.565 1.00 0.00 N ATOM 281 NH2 ARG A 19 -7.186 4.528 0.555 1.00 0.00 N ATOM 0 H ARG A 19 -2.367 -0.651 0.361 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.773 1.882 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.629 -0.425 0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.213 1.123 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.567 0.713 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.307 0.909 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.218 2.952 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.273 3.050 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.072 3.420 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.916 3.461 -2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.420 4.348 -1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.003 4.550 1.558 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.031 4.960 0.181 1.00 0.00 H new ATOM 295 N THR A 20 -2.947 -0.628 3.540 1.00 0.00 N ATOM 296 CA THR A 20 -3.065 -1.020 4.932 1.00 0.00 C ATOM 297 C THR A 20 -1.893 -0.464 5.745 1.00 0.00 C ATOM 298 O THR A 20 -2.089 0.087 6.826 1.00 0.00 O ATOM 299 CB THR A 20 -3.111 -2.552 5.060 1.00 0.00 C ATOM 300 OG1 THR A 20 -3.989 -3.089 4.056 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.601 -2.966 6.439 1.00 0.00 C ATOM 0 H THR A 20 -2.562 -1.351 2.933 1.00 0.00 H new ATOM 0 HA THR A 20 -3.994 -0.607 5.325 1.00 0.00 H new ATOM 0 HB THR A 20 -2.103 -2.943 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.272 -3.990 4.317 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.625 -4.054 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.926 -2.571 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.603 -2.570 6.603 1.00 0.00 H new ATOM 309 N LEU A 21 -0.682 -0.581 5.191 1.00 0.00 N ATOM 310 CA LEU A 21 0.530 -0.060 5.831 1.00 0.00 C ATOM 311 C LEU A 21 0.378 1.410 6.187 1.00 0.00 C ATOM 312 O LEU A 21 0.810 1.859 7.250 1.00 0.00 O ATOM 313 CB LEU A 21 1.737 -0.204 4.898 1.00 0.00 C ATOM 314 CG LEU A 21 2.679 -1.376 5.178 1.00 0.00 C ATOM 315 CD1 LEU A 21 3.127 -1.375 6.632 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.036 -2.702 4.806 1.00 0.00 C ATOM 0 H LEU A 21 -0.515 -1.036 4.293 1.00 0.00 H new ATOM 0 HA LEU A 21 0.686 -0.640 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.369 -0.298 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.316 0.718 4.944 1.00 0.00 H new ATOM 0 HG LEU A 21 3.562 -1.251 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.796 -2.217 6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.650 -0.444 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.256 -1.462 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.731 -3.515 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.126 -2.842 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.789 -2.702 3.744 1.00 0.00 H new ATOM 328 N ILE A 22 -0.234 2.149 5.276 1.00 0.00 N ATOM 329 CA ILE A 22 -0.389 3.591 5.427 1.00 0.00 C ATOM 330 C ILE A 22 -1.430 3.933 6.490 1.00 0.00 C ATOM 331 O ILE A 22 -1.513 5.073 6.955 1.00 0.00 O ATOM 332 CB ILE A 22 -0.776 4.252 4.082 1.00 0.00 C ATOM 333 CG1 ILE A 22 0.166 3.773 2.980 1.00 0.00 C ATOM 334 CG2 ILE A 22 -0.733 5.772 4.184 1.00 0.00 C ATOM 335 CD1 ILE A 22 1.624 3.878 3.361 1.00 0.00 C ATOM 0 H ILE A 22 -0.635 1.773 4.417 1.00 0.00 H new ATOM 0 HA ILE A 22 0.575 3.985 5.749 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.797 3.959 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.066 2.736 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.011 4.359 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.009 6.209 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.433 6.105 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.275 6.090 4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.242 3.523 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.870 4.918 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.814 3.269 4.245 1.00 0.00 H new ATOM 347 N LYS A 23 -2.223 2.948 6.888 1.00 0.00 N ATOM 348 CA LYS A 23 -3.207 3.159 7.910 1.00 0.00 C ATOM 349 C LYS A 23 -2.532 3.212 9.275 1.00 0.00 C ATOM 350 O LYS A 23 -2.377 4.293 9.850 1.00 0.00 O ATOM 351 CB LYS A 23 -4.284 2.075 7.848 1.00 0.00 C ATOM 352 CG LYS A 23 -5.200 2.075 9.047 1.00 0.00 C ATOM 353 CD LYS A 23 -6.497 1.332 8.774 1.00 0.00 C ATOM 354 CE LYS A 23 -7.405 2.118 7.840 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.818 3.421 8.429 1.00 0.00 N ATOM 0 H LYS A 23 -2.195 2.000 6.512 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.702 4.116 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.879 2.214 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.804 1.100 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.690 1.614 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.424 3.103 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.275 0.360 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.015 1.145 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.889 2.294 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.291 1.526 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.672 3.765 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.019 3.296 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.051 4.114 8.311 1.00 0.00 H new ATOM 369 N SER A 24 -2.135 2.065 9.810 1.00 0.00 N ATOM 370 CA SER A 24 -1.447 2.069 11.091 1.00 0.00 C ATOM 371 C SER A 24 -0.047 1.478 10.960 1.00 0.00 C ATOM 372 O SER A 24 0.829 1.850 11.730 1.00 0.00 O ATOM 373 CB SER A 24 -2.263 1.288 12.127 1.00 0.00 C ATOM 374 OG SER A 24 -1.874 1.618 13.451 1.00 0.00 O ATOM 0 H SER A 24 -2.273 1.145 9.391 1.00 0.00 H new ATOM 0 HA SER A 24 -1.346 3.102 11.425 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.323 1.503 11.994 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.132 0.218 11.964 1.00 0.00 H new ATOM 0 HG SER A 24 -2.414 1.105 14.088 1.00 0.00 H new ATOM 380 N GLY A 25 0.062 0.511 10.018 1.00 0.00 N ATOM 381 CA GLY A 25 1.263 -0.184 9.513 1.00 0.00 C ATOM 382 C GLY A 25 2.581 -0.005 10.225 1.00 0.00 C ATOM 383 O GLY A 25 3.258 -0.994 10.500 1.00 0.00 O ATOM 0 H GLY A 25 -0.775 0.166 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.041 -1.251 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.407 0.124 8.477 1.00 0.00 H new ATOM 387 N GLU A 26 2.829 1.229 10.624 1.00 0.00 N ATOM 388 CA GLU A 26 4.135 1.784 11.017 1.00 0.00 C ATOM 389 C GLU A 26 4.547 2.801 9.966 1.00 0.00 C ATOM 390 O GLU A 26 5.435 3.623 10.186 1.00 0.00 O ATOM 391 CB GLU A 26 5.252 0.746 11.175 1.00 0.00 C ATOM 392 CG GLU A 26 5.714 0.129 9.866 1.00 0.00 C ATOM 393 CD GLU A 26 7.188 -0.208 9.877 1.00 0.00 C ATOM 394 OE1 GLU A 26 7.543 -1.302 10.371 1.00 0.00 O ATOM 395 OE2 GLU A 26 7.999 0.613 9.406 1.00 0.00 O ATOM 0 H GLU A 26 2.085 1.923 10.690 1.00 0.00 H new ATOM 0 HA GLU A 26 4.005 2.228 12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.105 1.217 11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.905 -0.048 11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.139 -0.776 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.508 0.820 9.049 1.00 0.00 H new ATOM 402 N LEU A 27 3.869 2.748 8.825 1.00 0.00 N ATOM 403 CA LEU A 27 4.162 3.626 7.717 1.00 0.00 C ATOM 404 C LEU A 27 2.997 4.579 7.504 1.00 0.00 C ATOM 405 O LEU A 27 2.369 4.597 6.447 1.00 0.00 O ATOM 406 CB LEU A 27 4.432 2.801 6.456 1.00 0.00 C ATOM 407 CG LEU A 27 4.947 3.591 5.256 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.250 4.287 5.605 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.125 2.676 4.056 1.00 0.00 C ATOM 0 H LEU A 27 3.105 2.095 8.650 1.00 0.00 H new ATOM 0 HA LEU A 27 5.054 4.211 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.159 2.025 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.510 2.295 6.168 1.00 0.00 H new ATOM 0 HG LEU A 27 4.212 4.353 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.606 4.847 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.085 4.971 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.995 3.544 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.493 3.255 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.843 1.892 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.167 2.224 3.798 1.00 0.00 H new ATOM 421 N ALA A 28 2.686 5.337 8.543 1.00 0.00 N ATOM 422 CA ALA A 28 1.651 6.352 8.462 1.00 0.00 C ATOM 423 C ALA A 28 2.079 7.450 7.488 1.00 0.00 C ATOM 424 O ALA A 28 3.257 7.533 7.125 1.00 0.00 O ATOM 425 CB ALA A 28 1.381 6.927 9.848 1.00 0.00 C ATOM 0 H ALA A 28 3.138 5.267 9.455 1.00 0.00 H new ATOM 0 HA ALA A 28 0.729 5.904 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.604 7.688 9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.052 6.130 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.294 7.375 10.240 1.00 0.00 H new ATOM 431 N PRO A 29 1.160 8.331 7.060 1.00 0.00 N ATOM 432 CA PRO A 29 1.511 9.377 6.113 1.00 0.00 C ATOM 433 C PRO A 29 2.324 10.461 6.798 1.00 0.00 C ATOM 434 O PRO A 29 1.875 11.089 7.758 1.00 0.00 O ATOM 435 CB PRO A 29 0.154 9.930 5.644 1.00 0.00 C ATOM 436 CG PRO A 29 -0.882 9.004 6.200 1.00 0.00 C ATOM 437 CD PRO A 29 -0.266 8.355 7.406 1.00 0.00 C ATOM 0 HA PRO A 29 2.120 9.010 5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.002 10.947 6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.102 9.966 4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.785 9.550 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.171 8.256 5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.454 8.927 8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.660 7.353 7.573 1.00 0.00 H new ATOM 445 N GLY A 30 3.522 10.676 6.286 1.00 0.00 N ATOM 446 CA GLY A 30 4.474 11.536 6.947 1.00 0.00 C ATOM 447 C GLY A 30 5.738 10.788 7.322 1.00 0.00 C ATOM 448 O GLY A 30 6.710 11.393 7.778 1.00 0.00 O ATOM 0 H GLY A 30 3.855 10.265 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.726 12.371 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.021 11.959 7.844 1.00 0.00 H new ATOM 452 N ASP A 31 5.735 9.470 7.122 1.00 0.00 N ATOM 453 CA ASP A 31 6.906 8.653 7.416 1.00 0.00 C ATOM 454 C ASP A 31 7.538 8.186 6.112 1.00 0.00 C ATOM 455 O ASP A 31 6.880 8.167 5.079 1.00 0.00 O ATOM 456 CB ASP A 31 6.534 7.454 8.292 1.00 0.00 C ATOM 457 CG ASP A 31 7.757 6.768 8.873 1.00 0.00 C ATOM 458 OD1 ASP A 31 8.486 7.417 9.654 1.00 0.00 O ATOM 459 OD2 ASP A 31 8.012 5.598 8.537 1.00 0.00 O ATOM 0 H ASP A 31 4.937 8.949 6.759 1.00 0.00 H new ATOM 0 HA ASP A 31 7.625 9.256 7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.886 7.786 9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.964 6.737 7.701 1.00 0.00 H new ATOM 464 N THR A 32 8.804 7.819 6.156 1.00 0.00 N ATOM 465 CA THR A 32 9.552 7.510 4.945 1.00 0.00 C ATOM 466 C THR A 32 9.527 6.009 4.644 1.00 0.00 C ATOM 467 O THR A 32 9.472 5.186 5.556 1.00 0.00 O ATOM 468 CB THR A 32 11.002 8.000 5.089 1.00 0.00 C ATOM 469 OG1 THR A 32 11.001 9.316 5.656 1.00 0.00 O ATOM 470 CG2 THR A 32 11.724 8.025 3.750 1.00 0.00 C ATOM 0 H THR A 32 9.341 7.726 7.018 1.00 0.00 H new ATOM 0 HA THR A 32 9.078 8.025 4.110 1.00 0.00 H new ATOM 0 HB THR A 32 11.531 7.305 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.773 9.818 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.746 8.377 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.742 7.020 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.202 8.696 3.068 1.00 0.00 H new ATOM 478 N LEU A 33 9.567 5.679 3.355 1.00 0.00 N ATOM 479 CA LEU A 33 9.478 4.298 2.884 1.00 0.00 C ATOM 480 C LEU A 33 10.524 3.391 3.520 1.00 0.00 C ATOM 481 O LEU A 33 11.694 3.759 3.651 1.00 0.00 O ATOM 482 CB LEU A 33 9.644 4.248 1.364 1.00 0.00 C ATOM 483 CG LEU A 33 8.419 3.787 0.582 1.00 0.00 C ATOM 484 CD1 LEU A 33 7.236 4.691 0.866 1.00 0.00 C ATOM 485 CD2 LEU A 33 8.731 3.764 -0.904 1.00 0.00 C ATOM 0 H LEU A 33 9.662 6.364 2.605 1.00 0.00 H new ATOM 0 HA LEU A 33 8.493 3.934 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.923 5.242 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.475 3.582 1.129 1.00 0.00 H new ATOM 0 HG LEU A 33 8.158 2.778 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.371 4.347 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.006 4.665 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.479 5.712 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.851 3.434 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.011 4.765 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.556 3.077 -1.092 1.00 0.00 H new ATOM 497 N PRO A 34 10.092 2.198 3.937 1.00 0.00 N ATOM 498 CA PRO A 34 10.986 1.146 4.420 1.00 0.00 C ATOM 499 C PRO A 34 11.677 0.411 3.275 1.00 0.00 C ATOM 500 O PRO A 34 11.346 0.616 2.105 1.00 0.00 O ATOM 501 CB PRO A 34 10.033 0.198 5.148 1.00 0.00 C ATOM 502 CG PRO A 34 8.734 0.361 4.440 1.00 0.00 C ATOM 503 CD PRO A 34 8.675 1.805 4.026 1.00 0.00 C ATOM 0 HA PRO A 34 11.790 1.539 5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.385 -0.833 5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.945 0.456 6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.675 -0.298 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.898 0.106 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.164 1.928 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.136 2.410 4.756 1.00 0.00 H new ATOM 511 N SER A 35 12.637 -0.436 3.614 1.00 0.00 N ATOM 512 CA SER A 35 13.332 -1.235 2.617 1.00 0.00 C ATOM 513 C SER A 35 12.409 -2.333 2.095 1.00 0.00 C ATOM 514 O SER A 35 11.469 -2.734 2.782 1.00 0.00 O ATOM 515 CB SER A 35 14.600 -1.846 3.220 1.00 0.00 C ATOM 516 OG SER A 35 15.347 -2.557 2.247 1.00 0.00 O ATOM 0 H SER A 35 12.952 -0.588 4.572 1.00 0.00 H new ATOM 0 HA SER A 35 13.619 -0.593 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.217 -1.057 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.330 -2.517 4.035 1.00 0.00 H new ATOM 0 HG SER A 35 16.151 -2.933 2.662 1.00 0.00 H new ATOM 522 N VAL A 36 12.697 -2.829 0.890 1.00 0.00 N ATOM 523 CA VAL A 36 11.864 -3.840 0.229 1.00 0.00 C ATOM 524 C VAL A 36 11.660 -5.078 1.104 1.00 0.00 C ATOM 525 O VAL A 36 10.701 -5.824 0.918 1.00 0.00 O ATOM 526 CB VAL A 36 12.472 -4.270 -1.127 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.500 -3.098 -2.097 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.872 -4.845 -0.945 1.00 0.00 C ATOM 0 H VAL A 36 13.511 -2.544 0.345 1.00 0.00 H new ATOM 0 HA VAL A 36 10.894 -3.373 0.058 1.00 0.00 H new ATOM 0 HB VAL A 36 11.838 -5.052 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.931 -3.420 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.484 -2.739 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.105 -2.294 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.274 -5.138 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.520 -4.091 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.825 -5.717 -0.293 1.00 0.00 H new ATOM 538 N ALA A 37 12.560 -5.277 2.064 1.00 0.00 N ATOM 539 CA ALA A 37 12.490 -6.417 2.970 1.00 0.00 C ATOM 540 C ALA A 37 11.225 -6.383 3.829 1.00 0.00 C ATOM 541 O ALA A 37 10.590 -7.417 4.035 1.00 0.00 O ATOM 542 CB ALA A 37 13.728 -6.464 3.852 1.00 0.00 C ATOM 0 H ALA A 37 13.352 -4.657 2.234 1.00 0.00 H new ATOM 0 HA ALA A 37 12.449 -7.321 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.664 -7.320 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.616 -6.559 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.793 -5.547 4.438 1.00 0.00 H new ATOM 548 N ASP A 38 10.856 -5.197 4.317 1.00 0.00 N ATOM 549 CA ASP A 38 9.660 -5.056 5.150 1.00 0.00 C ATOM 550 C ASP A 38 8.428 -5.423 4.346 1.00 0.00 C ATOM 551 O ASP A 38 7.604 -6.234 4.774 1.00 0.00 O ATOM 552 CB ASP A 38 9.501 -3.626 5.677 1.00 0.00 C ATOM 553 CG ASP A 38 10.655 -3.179 6.553 1.00 0.00 C ATOM 554 OD1 ASP A 38 10.643 -3.490 7.764 1.00 0.00 O ATOM 555 OD2 ASP A 38 11.573 -2.501 6.047 1.00 0.00 O ATOM 0 H ASP A 38 11.363 -4.327 4.152 1.00 0.00 H new ATOM 0 HA ASP A 38 9.772 -5.727 6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.409 -2.943 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.574 -3.557 6.246 1.00 0.00 H new ATOM 560 N ILE A 39 8.315 -4.814 3.171 1.00 0.00 N ATOM 561 CA ILE A 39 7.228 -5.082 2.268 1.00 0.00 C ATOM 562 C ILE A 39 7.198 -6.575 1.944 1.00 0.00 C ATOM 563 O ILE A 39 6.177 -7.204 2.115 1.00 0.00 O ATOM 564 CB ILE A 39 7.342 -4.231 0.964 1.00 0.00 C ATOM 565 CG1 ILE A 39 7.396 -2.731 1.274 1.00 0.00 C ATOM 566 CG2 ILE A 39 6.173 -4.483 0.033 1.00 0.00 C ATOM 567 CD1 ILE A 39 8.764 -2.210 1.633 1.00 0.00 C ATOM 0 H ILE A 39 8.981 -4.122 2.828 1.00 0.00 H new ATOM 0 HA ILE A 39 6.294 -4.798 2.752 1.00 0.00 H new ATOM 0 HB ILE A 39 8.269 -4.537 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.029 -2.181 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.714 -2.519 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.285 -3.874 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.149 -5.537 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.243 -4.219 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.704 -1.141 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.129 -2.728 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.449 -2.384 0.803 1.00 0.00 H new ATOM 579 N ARG A 40 8.350 -7.129 1.555 1.00 0.00 N ATOM 580 CA ARG A 40 8.501 -8.533 1.132 1.00 0.00 C ATOM 581 C ARG A 40 7.785 -9.546 2.035 1.00 0.00 C ATOM 582 O ARG A 40 7.334 -10.588 1.564 1.00 0.00 O ATOM 583 CB ARG A 40 9.991 -8.875 1.052 1.00 0.00 C ATOM 584 CG ARG A 40 10.280 -10.281 0.554 1.00 0.00 C ATOM 585 CD ARG A 40 11.774 -10.541 0.486 1.00 0.00 C ATOM 586 NE ARG A 40 12.079 -11.936 0.173 1.00 0.00 N ATOM 587 CZ ARG A 40 13.224 -12.536 0.505 1.00 0.00 C ATOM 588 NH1 ARG A 40 14.196 -11.850 1.095 1.00 0.00 N ATOM 589 NH2 ARG A 40 13.414 -13.817 0.225 1.00 0.00 N ATOM 0 H ARG A 40 9.225 -6.606 1.523 1.00 0.00 H new ATOM 0 HA ARG A 40 8.022 -8.615 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.482 -8.160 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.434 -8.753 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.811 -11.008 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.839 -10.418 -0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.219 -9.895 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.231 -10.276 1.440 1.00 0.00 H new ATOM 0 HE ARG A 40 11.377 -12.482 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.070 -10.858 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.068 -12.315 1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.683 -14.350 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.291 -14.270 0.481 1.00 0.00 H new ATOM 603 N ALA A 41 7.717 -9.275 3.321 1.00 0.00 N ATOM 604 CA ALA A 41 7.042 -10.185 4.234 1.00 0.00 C ATOM 605 C ALA A 41 5.585 -9.801 4.445 1.00 0.00 C ATOM 606 O ALA A 41 4.723 -10.663 4.623 1.00 0.00 O ATOM 607 CB ALA A 41 7.778 -10.236 5.549 1.00 0.00 C ATOM 0 H ALA A 41 8.114 -8.443 3.758 1.00 0.00 H new ATOM 0 HA ALA A 41 7.049 -11.177 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.266 -10.919 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.797 -10.586 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.804 -9.240 5.990 1.00 0.00 H new ATOM 613 N GLN A 42 5.316 -8.507 4.425 1.00 0.00 N ATOM 614 CA GLN A 42 3.967 -8.009 4.624 1.00 0.00 C ATOM 615 C GLN A 42 3.163 -8.251 3.371 1.00 0.00 C ATOM 616 O GLN A 42 2.024 -8.710 3.411 1.00 0.00 O ATOM 617 CB GLN A 42 3.992 -6.522 4.942 1.00 0.00 C ATOM 618 CG GLN A 42 4.642 -6.209 6.282 1.00 0.00 C ATOM 619 CD GLN A 42 4.907 -4.731 6.501 1.00 0.00 C ATOM 620 OE1 GLN A 42 4.837 -4.243 7.627 1.00 0.00 O ATOM 621 NE2 GLN A 42 5.243 -4.013 5.440 1.00 0.00 N ATOM 0 H GLN A 42 6.016 -7.781 4.273 1.00 0.00 H new ATOM 0 HA GLN A 42 3.511 -8.534 5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.530 -5.997 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.971 -6.139 4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.999 -6.576 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.584 -6.753 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.291 -4.453 4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.454 -3.020 5.542 1.00 0.00 H new ATOM 630 N PHE A 43 3.771 -7.942 2.249 1.00 0.00 N ATOM 631 CA PHE A 43 3.204 -8.264 0.996 1.00 0.00 C ATOM 632 C PHE A 43 3.711 -9.652 0.645 1.00 0.00 C ATOM 633 O PHE A 43 4.896 -9.927 0.661 1.00 0.00 O ATOM 634 CB PHE A 43 3.497 -7.137 -0.053 1.00 0.00 C ATOM 635 CG PHE A 43 4.744 -7.183 -0.918 1.00 0.00 C ATOM 636 CD1 PHE A 43 5.894 -7.843 -0.567 1.00 0.00 C ATOM 637 CD2 PHE A 43 4.733 -6.500 -2.115 1.00 0.00 C ATOM 638 CE1 PHE A 43 7.001 -7.827 -1.384 1.00 0.00 C ATOM 639 CE2 PHE A 43 5.833 -6.476 -2.932 1.00 0.00 C ATOM 640 CZ PHE A 43 6.968 -7.142 -2.564 1.00 0.00 C ATOM 0 H PHE A 43 4.669 -7.462 2.198 1.00 0.00 H new ATOM 0 HA PHE A 43 2.115 -8.303 1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.641 -7.097 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.519 -6.192 0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.931 -8.385 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.839 -5.973 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.896 -8.356 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.803 -5.932 -3.864 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.837 -7.126 -3.205 1.00 0.00 H new ATOM 650 N GLY A 44 2.793 -10.562 0.487 1.00 0.00 N ATOM 651 CA GLY A 44 3.158 -11.906 0.063 1.00 0.00 C ATOM 652 C GLY A 44 3.531 -11.911 -1.394 1.00 0.00 C ATOM 653 O GLY A 44 2.972 -12.667 -2.187 1.00 0.00 O ATOM 0 H GLY A 44 1.796 -10.413 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.994 -12.269 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.325 -12.587 0.234 1.00 0.00 H new ATOM 657 N VAL A 45 4.467 -11.038 -1.745 1.00 0.00 N ATOM 658 CA VAL A 45 4.658 -10.646 -3.124 1.00 0.00 C ATOM 659 C VAL A 45 6.153 -10.625 -3.427 1.00 0.00 C ATOM 660 O VAL A 45 6.972 -10.762 -2.517 1.00 0.00 O ATOM 661 CB VAL A 45 3.994 -9.255 -3.319 1.00 0.00 C ATOM 662 CG1 VAL A 45 3.560 -8.963 -4.713 1.00 0.00 C ATOM 663 CG2 VAL A 45 2.771 -9.106 -2.437 1.00 0.00 C ATOM 0 H VAL A 45 5.105 -10.590 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 45 4.195 -11.349 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 45 4.781 -8.550 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.108 -7.972 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.424 -8.996 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.830 -9.708 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.327 -8.123 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.044 -9.878 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.062 -9.210 -1.392 1.00 0.00 H new ATOM 673 N ALA A 46 6.515 -10.475 -4.687 1.00 0.00 N ATOM 674 CA ALA A 46 7.914 -10.590 -5.083 1.00 0.00 C ATOM 675 C ALA A 46 8.643 -9.309 -4.736 1.00 0.00 C ATOM 676 O ALA A 46 8.051 -8.243 -4.770 1.00 0.00 O ATOM 677 CB ALA A 46 8.041 -10.903 -6.569 1.00 0.00 C ATOM 0 H ALA A 46 5.870 -10.275 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 46 8.368 -11.417 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.095 -10.983 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.539 -11.846 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.580 -10.104 -7.150 1.00 0.00 H new ATOM 683 N ALA A 47 9.940 -9.386 -4.484 1.00 0.00 N ATOM 684 CA ALA A 47 10.656 -8.253 -3.908 1.00 0.00 C ATOM 685 C ALA A 47 10.864 -7.158 -4.945 1.00 0.00 C ATOM 686 O ALA A 47 11.357 -6.075 -4.636 1.00 0.00 O ATOM 687 CB ALA A 47 11.992 -8.708 -3.338 1.00 0.00 C ATOM 0 H ALA A 47 10.515 -10.209 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 47 10.052 -7.842 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.516 -7.853 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.821 -9.453 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.597 -9.144 -4.133 1.00 0.00 H new ATOM 693 N LYS A 48 10.477 -7.449 -6.177 1.00 0.00 N ATOM 694 CA LYS A 48 10.446 -6.448 -7.223 1.00 0.00 C ATOM 695 C LYS A 48 9.053 -5.810 -7.290 1.00 0.00 C ATOM 696 O LYS A 48 8.903 -4.664 -7.719 1.00 0.00 O ATOM 697 CB LYS A 48 10.835 -7.088 -8.566 1.00 0.00 C ATOM 698 CG LYS A 48 11.085 -6.096 -9.699 1.00 0.00 C ATOM 699 CD LYS A 48 9.804 -5.705 -10.420 1.00 0.00 C ATOM 700 CE LYS A 48 9.236 -6.856 -11.239 1.00 0.00 C ATOM 701 NZ LYS A 48 10.118 -7.213 -12.380 1.00 0.00 N ATOM 0 H LYS A 48 10.179 -8.378 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 48 11.167 -5.661 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.735 -7.686 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.043 -7.772 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.560 -5.201 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.782 -6.533 -10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.063 -5.379 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.001 -4.857 -11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.102 -7.727 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.250 -6.582 -11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.599 -7.825 -13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.418 -6.347 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.956 -7.718 -12.027 1.00 0.00 H new ATOM 715 N THR A 49 8.038 -6.538 -6.820 1.00 0.00 N ATOM 716 CA THR A 49 6.660 -6.117 -6.985 1.00 0.00 C ATOM 717 C THR A 49 6.334 -4.886 -6.141 1.00 0.00 C ATOM 718 O THR A 49 5.457 -4.095 -6.498 1.00 0.00 O ATOM 719 CB THR A 49 5.705 -7.257 -6.620 1.00 0.00 C ATOM 720 OG1 THR A 49 6.205 -8.489 -7.149 1.00 0.00 O ATOM 721 CG2 THR A 49 4.330 -6.998 -7.194 1.00 0.00 C ATOM 0 H THR A 49 8.152 -7.421 -6.323 1.00 0.00 H new ATOM 0 HA THR A 49 6.529 -5.851 -8.034 1.00 0.00 H new ATOM 0 HB THR A 49 5.635 -7.317 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.455 -9.086 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.663 -7.818 -6.926 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.938 -6.064 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.397 -6.925 -8.280 1.00 0.00 H new ATOM 729 N VAL A 50 7.037 -4.717 -5.027 1.00 0.00 N ATOM 730 CA VAL A 50 6.866 -3.528 -4.208 1.00 0.00 C ATOM 731 C VAL A 50 7.240 -2.297 -5.016 1.00 0.00 C ATOM 732 O VAL A 50 6.473 -1.342 -5.103 1.00 0.00 O ATOM 733 CB VAL A 50 7.697 -3.607 -2.900 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.976 -4.406 -3.100 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.008 -2.218 -2.350 1.00 0.00 C ATOM 0 H VAL A 50 7.724 -5.383 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 50 5.819 -3.460 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 50 7.087 -4.130 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.533 -4.441 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.726 -5.420 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.586 -3.930 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.591 -2.312 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.579 -1.654 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.076 -1.695 -2.135 1.00 0.00 H new ATOM 745 N SER A 51 8.396 -2.369 -5.654 1.00 0.00 N ATOM 746 CA SER A 51 8.880 -1.297 -6.517 1.00 0.00 C ATOM 747 C SER A 51 7.952 -1.091 -7.722 1.00 0.00 C ATOM 748 O SER A 51 8.031 -0.075 -8.413 1.00 0.00 O ATOM 749 CB SER A 51 10.305 -1.616 -6.988 1.00 0.00 C ATOM 750 OG SER A 51 10.852 -0.553 -7.751 1.00 0.00 O ATOM 0 H SER A 51 9.026 -3.169 -5.591 1.00 0.00 H new ATOM 0 HA SER A 51 8.889 -0.370 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.940 -1.809 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.296 -2.527 -7.586 1.00 0.00 H new ATOM 0 HG SER A 51 10.135 -0.098 -8.240 1.00 0.00 H new ATOM 756 N ARG A 52 7.068 -2.053 -7.967 1.00 0.00 N ATOM 757 CA ARG A 52 6.103 -1.937 -9.054 1.00 0.00 C ATOM 758 C ARG A 52 4.921 -1.077 -8.621 1.00 0.00 C ATOM 759 O ARG A 52 4.624 -0.055 -9.245 1.00 0.00 O ATOM 760 CB ARG A 52 5.600 -3.312 -9.496 1.00 0.00 C ATOM 761 CG ARG A 52 6.635 -4.177 -10.197 1.00 0.00 C ATOM 762 CD ARG A 52 6.934 -3.686 -11.608 1.00 0.00 C ATOM 763 NE ARG A 52 7.824 -2.526 -11.622 1.00 0.00 N ATOM 764 CZ ARG A 52 8.035 -1.759 -12.692 1.00 0.00 C ATOM 765 NH1 ARG A 52 7.405 -2.005 -13.836 1.00 0.00 N ATOM 766 NH2 ARG A 52 8.891 -0.753 -12.615 1.00 0.00 N ATOM 0 H ARG A 52 7.000 -2.918 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 52 6.607 -1.465 -9.897 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.233 -3.847 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.750 -3.174 -10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.556 -4.184 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.277 -5.206 -10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.387 -4.494 -12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.999 -3.428 -12.105 1.00 0.00 H new ATOM 0 HE ARG A 52 8.314 -2.289 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.753 -2.787 -13.901 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.573 -1.412 -14.649 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.384 -0.569 -11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.058 -0.162 -13.429 1.00 0.00 H new ATOM 780 N ALA A 53 4.246 -1.494 -7.548 1.00 0.00 N ATOM 781 CA ALA A 53 3.103 -0.754 -7.029 1.00 0.00 C ATOM 782 C ALA A 53 3.494 0.631 -6.531 1.00 0.00 C ATOM 783 O ALA A 53 2.658 1.523 -6.486 1.00 0.00 O ATOM 784 CB ALA A 53 2.431 -1.525 -5.914 1.00 0.00 C ATOM 0 H ALA A 53 4.474 -2.339 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 53 2.405 -0.628 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.580 -0.956 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.086 -2.487 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.142 -1.688 -5.105 1.00 0.00 H new ATOM 790 N LEU A 54 4.754 0.800 -6.139 1.00 0.00 N ATOM 791 CA LEU A 54 5.255 2.110 -5.695 1.00 0.00 C ATOM 792 C LEU A 54 4.897 3.234 -6.675 1.00 0.00 C ATOM 793 O LEU A 54 4.541 4.335 -6.253 1.00 0.00 O ATOM 794 CB LEU A 54 6.772 2.083 -5.484 1.00 0.00 C ATOM 795 CG LEU A 54 7.249 1.315 -4.251 1.00 0.00 C ATOM 796 CD1 LEU A 54 8.761 1.405 -4.120 1.00 0.00 C ATOM 797 CD2 LEU A 54 6.572 1.844 -2.998 1.00 0.00 C ATOM 0 H LEU A 54 5.449 0.054 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 54 4.762 2.317 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.237 1.644 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.130 3.110 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 54 6.976 0.267 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.083 0.853 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.229 0.977 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.056 2.450 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.924 1.285 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.813 2.899 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.492 1.727 -3.091 1.00 0.00 H new ATOM 809 N ALA A 55 4.964 2.948 -7.972 1.00 0.00 N ATOM 810 CA ALA A 55 4.638 3.943 -8.994 1.00 0.00 C ATOM 811 C ALA A 55 3.149 4.267 -8.985 1.00 0.00 C ATOM 812 O ALA A 55 2.721 5.288 -9.512 1.00 0.00 O ATOM 813 CB ALA A 55 5.069 3.451 -10.369 1.00 0.00 C ATOM 0 H ALA A 55 5.240 2.038 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 55 5.184 4.858 -8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.820 4.202 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.145 3.278 -10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.551 2.521 -10.601 1.00 0.00 H new ATOM 819 N VAL A 56 2.367 3.381 -8.393 1.00 0.00 N ATOM 820 CA VAL A 56 0.947 3.611 -8.208 1.00 0.00 C ATOM 821 C VAL A 56 0.710 4.285 -6.857 1.00 0.00 C ATOM 822 O VAL A 56 -0.212 5.083 -6.699 1.00 0.00 O ATOM 823 CB VAL A 56 0.151 2.285 -8.278 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.341 2.537 -8.125 1.00 0.00 C ATOM 825 CG2 VAL A 56 0.440 1.557 -9.582 1.00 0.00 C ATOM 0 H VAL A 56 2.697 2.487 -8.029 1.00 0.00 H new ATOM 0 HA VAL A 56 0.597 4.259 -9.011 1.00 0.00 H new ATOM 0 HB VAL A 56 0.473 1.653 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.877 1.590 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.533 3.010 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.683 3.193 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.128 0.627 -9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.151 2.188 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.505 1.334 -9.646 1.00 0.00 H new ATOM 835 N LEU A 57 1.603 4.010 -5.903 1.00 0.00 N ATOM 836 CA LEU A 57 1.449 4.458 -4.528 1.00 0.00 C ATOM 837 C LEU A 57 1.691 5.945 -4.413 1.00 0.00 C ATOM 838 O LEU A 57 1.572 6.513 -3.342 1.00 0.00 O ATOM 839 CB LEU A 57 2.403 3.683 -3.614 1.00 0.00 C ATOM 840 CG LEU A 57 1.869 2.350 -3.058 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.779 1.757 -3.944 1.00 0.00 C ATOM 842 CD2 LEU A 57 3.010 1.359 -2.911 1.00 0.00 C ATOM 0 H LEU A 57 2.452 3.469 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 57 0.424 4.262 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.321 3.482 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.670 4.324 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 57 1.427 2.553 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.432 0.818 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.055 2.456 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.180 1.573 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.626 0.418 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.468 1.185 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.756 1.762 -2.226 1.00 0.00 H new ATOM 854 N LYS A 58 2.029 6.574 -5.516 1.00 0.00 N ATOM 855 CA LYS A 58 2.134 8.011 -5.536 1.00 0.00 C ATOM 856 C LYS A 58 0.746 8.633 -5.332 1.00 0.00 C ATOM 857 O LYS A 58 0.592 9.590 -4.578 1.00 0.00 O ATOM 858 CB LYS A 58 2.796 8.483 -6.838 1.00 0.00 C ATOM 859 CG LYS A 58 2.123 7.989 -8.107 1.00 0.00 C ATOM 860 CD LYS A 58 2.841 8.493 -9.348 1.00 0.00 C ATOM 861 CE LYS A 58 2.083 8.129 -10.615 1.00 0.00 C ATOM 862 NZ LYS A 58 2.815 8.546 -11.839 1.00 0.00 N ATOM 0 H LYS A 58 2.234 6.115 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 58 2.772 8.343 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.807 9.573 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.835 8.153 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.107 6.899 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.086 8.323 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.956 9.575 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.844 8.068 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.916 7.052 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.102 8.603 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.265 8.280 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.952 9.577 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.741 8.074 -11.867 1.00 0.00 H new ATOM 876 N SER A 59 -0.260 8.065 -5.993 1.00 0.00 N ATOM 877 CA SER A 59 -1.644 8.498 -5.818 1.00 0.00 C ATOM 878 C SER A 59 -2.317 7.617 -4.776 1.00 0.00 C ATOM 879 O SER A 59 -3.120 8.066 -3.967 1.00 0.00 O ATOM 880 CB SER A 59 -2.388 8.394 -7.150 1.00 0.00 C ATOM 881 OG SER A 59 -1.575 8.852 -8.221 1.00 0.00 O ATOM 0 H SER A 59 -0.141 7.300 -6.658 1.00 0.00 H new ATOM 0 HA SER A 59 -1.664 9.535 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.682 7.359 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.305 8.982 -7.106 1.00 0.00 H new ATOM 0 HG SER A 59 -2.070 8.775 -9.063 1.00 0.00 H new ATOM 887 N GLU A 60 -1.932 6.355 -4.813 1.00 0.00 N ATOM 888 CA GLU A 60 -2.585 5.294 -4.067 1.00 0.00 C ATOM 889 C GLU A 60 -2.074 5.206 -2.628 1.00 0.00 C ATOM 890 O GLU A 60 -2.806 5.464 -1.676 1.00 0.00 O ATOM 891 CB GLU A 60 -2.300 3.990 -4.802 1.00 0.00 C ATOM 892 CG GLU A 60 -2.996 2.777 -4.248 1.00 0.00 C ATOM 893 CD GLU A 60 -4.483 2.787 -4.516 1.00 0.00 C ATOM 894 OE1 GLU A 60 -4.880 2.641 -5.692 1.00 0.00 O ATOM 895 OE2 GLU A 60 -5.256 2.929 -3.553 1.00 0.00 O ATOM 0 H GLU A 60 -1.142 6.032 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.655 5.495 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.589 4.110 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.225 3.811 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.558 1.880 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.825 2.724 -3.173 1.00 0.00 H new ATOM 902 N GLY A 61 -0.806 4.843 -2.488 1.00 0.00 N ATOM 903 CA GLY A 61 -0.219 4.638 -1.176 1.00 0.00 C ATOM 904 C GLY A 61 0.251 5.927 -0.541 1.00 0.00 C ATOM 905 O GLY A 61 0.811 5.910 0.547 1.00 0.00 O ATOM 0 H GLY A 61 -0.167 4.685 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.952 4.163 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.623 3.952 -1.262 1.00 0.00 H new ATOM 909 N LEU A 62 0.040 7.033 -1.249 1.00 0.00 N ATOM 910 CA LEU A 62 0.292 8.379 -0.729 1.00 0.00 C ATOM 911 C LEU A 62 1.788 8.719 -0.626 1.00 0.00 C ATOM 912 O LEU A 62 2.187 9.449 0.276 1.00 0.00 O ATOM 913 CB LEU A 62 -0.356 8.545 0.651 1.00 0.00 C ATOM 914 CG LEU A 62 -1.863 8.286 0.723 1.00 0.00 C ATOM 915 CD1 LEU A 62 -2.429 8.780 2.044 1.00 0.00 C ATOM 916 CD2 LEU A 62 -2.569 8.938 -0.445 1.00 0.00 C ATOM 0 H LEU A 62 -0.313 7.023 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.151 9.070 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.142 7.870 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.165 9.560 1.000 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.032 7.211 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.501 8.587 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.942 8.257 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.251 9.851 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.639 8.744 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.393 10.014 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.184 8.527 -1.378 1.00 0.00 H new ATOM 928 N VAL A 63 2.603 8.273 -1.577 1.00 0.00 N ATOM 929 CA VAL A 63 4.057 8.459 -1.475 1.00 0.00 C ATOM 930 C VAL A 63 4.570 9.409 -2.547 1.00 0.00 C ATOM 931 O VAL A 63 4.007 9.497 -3.638 1.00 0.00 O ATOM 932 CB VAL A 63 4.839 7.126 -1.582 1.00 0.00 C ATOM 933 CG1 VAL A 63 4.746 6.547 -2.976 1.00 0.00 C ATOM 934 CG2 VAL A 63 6.296 7.304 -1.215 1.00 0.00 C ATOM 0 H VAL A 63 2.293 7.786 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 63 4.230 8.884 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 63 4.379 6.436 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.305 5.612 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.701 6.357 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.165 7.254 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.812 6.348 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.755 8.027 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.371 7.665 -0.189 1.00 0.00 H new ATOM 944 N SER A 64 5.641 10.115 -2.225 1.00 0.00 N ATOM 945 CA SER A 64 6.261 11.039 -3.160 1.00 0.00 C ATOM 946 C SER A 64 7.765 11.108 -2.920 1.00 0.00 C ATOM 947 O SER A 64 8.227 10.990 -1.782 1.00 0.00 O ATOM 948 CB SER A 64 5.639 12.434 -3.022 1.00 0.00 C ATOM 949 OG SER A 64 6.154 13.330 -3.995 1.00 0.00 O ATOM 0 H SER A 64 6.102 10.065 -1.316 1.00 0.00 H new ATOM 0 HA SER A 64 6.086 10.676 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.556 12.363 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.837 12.825 -2.024 1.00 0.00 H new ATOM 0 HG SER A 64 5.737 14.210 -3.883 1.00 0.00 H new ATOM 955 N SER A 65 8.521 11.274 -3.996 1.00 0.00 N ATOM 956 CA SER A 65 9.954 11.468 -3.896 1.00 0.00 C ATOM 957 C SER A 65 10.240 12.818 -3.248 1.00 0.00 C ATOM 958 O SER A 65 10.027 13.870 -3.855 1.00 0.00 O ATOM 959 CB SER A 65 10.594 11.392 -5.284 1.00 0.00 C ATOM 960 OG SER A 65 10.238 10.186 -5.942 1.00 0.00 O ATOM 0 H SER A 65 8.161 11.278 -4.950 1.00 0.00 H new ATOM 0 HA SER A 65 10.384 10.680 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.275 12.245 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.678 11.454 -5.192 1.00 0.00 H new ATOM 0 HG SER A 65 10.657 10.160 -6.828 1.00 0.00 H new ATOM 966 N ARG A 66 10.681 12.782 -2.002 1.00 0.00 N ATOM 967 CA ARG A 66 10.926 13.995 -1.244 1.00 0.00 C ATOM 968 C ARG A 66 12.409 14.130 -0.945 1.00 0.00 C ATOM 969 O ARG A 66 12.919 13.536 0.003 1.00 0.00 O ATOM 970 CB ARG A 66 10.101 13.960 0.044 1.00 0.00 C ATOM 971 CG ARG A 66 10.085 15.262 0.819 1.00 0.00 C ATOM 972 CD ARG A 66 8.674 15.582 1.288 1.00 0.00 C ATOM 973 NE ARG A 66 7.741 15.636 0.161 1.00 0.00 N ATOM 974 CZ ARG A 66 6.417 15.526 0.266 1.00 0.00 C ATOM 975 NH1 ARG A 66 5.837 15.422 1.454 1.00 0.00 N ATOM 976 NH2 ARG A 66 5.669 15.531 -0.830 1.00 0.00 N ATOM 0 H ARG A 66 10.877 11.920 -1.493 1.00 0.00 H new ATOM 0 HA ARG A 66 10.623 14.865 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.075 13.688 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.492 13.173 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.753 15.190 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.459 16.071 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.344 14.826 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.670 16.537 1.813 1.00 0.00 H new ATOM 0 HE ARG A 66 8.133 15.767 -0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.405 15.426 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.823 15.338 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.108 15.619 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.655 15.447 -0.756 1.00 0.00 H new ATOM 990 N GLY A 67 13.101 14.911 -1.761 1.00 0.00 N ATOM 991 CA GLY A 67 14.543 15.011 -1.658 1.00 0.00 C ATOM 992 C GLY A 67 15.005 15.836 -0.469 1.00 0.00 C ATOM 993 O GLY A 67 15.824 16.740 -0.608 1.00 0.00 O ATOM 0 H GLY A 67 12.686 15.481 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.965 14.009 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.936 15.454 -2.573 1.00 0.00 H new ATOM 997 N ALA A 68 14.477 15.514 0.696 1.00 0.00 N ATOM 998 CA ALA A 68 14.867 16.159 1.934 1.00 0.00 C ATOM 999 C ALA A 68 14.894 15.124 3.045 1.00 0.00 C ATOM 1000 O ALA A 68 15.942 14.819 3.609 1.00 0.00 O ATOM 1001 CB ALA A 68 13.908 17.291 2.272 1.00 0.00 C ATOM 0 H ALA A 68 13.763 14.795 0.810 1.00 0.00 H new ATOM 0 HA ALA A 68 15.862 16.591 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.217 17.763 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.920 18.029 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.900 16.892 2.384 1.00 0.00 H new ATOM 1007 N LEU A 69 13.726 14.569 3.338 1.00 0.00 N ATOM 1008 CA LEU A 69 13.608 13.508 4.328 1.00 0.00 C ATOM 1009 C LEU A 69 13.743 12.137 3.664 1.00 0.00 C ATOM 1010 O LEU A 69 13.929 11.125 4.338 1.00 0.00 O ATOM 1011 CB LEU A 69 12.264 13.613 5.051 1.00 0.00 C ATOM 1012 CG LEU A 69 11.987 14.957 5.726 1.00 0.00 C ATOM 1013 CD1 LEU A 69 10.582 14.981 6.302 1.00 0.00 C ATOM 1014 CD2 LEU A 69 13.011 15.228 6.816 1.00 0.00 C ATOM 0 H LEU A 69 12.844 14.837 2.902 1.00 0.00 H new ATOM 0 HA LEU A 69 14.412 13.620 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.468 13.415 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.215 12.829 5.807 1.00 0.00 H new ATOM 0 HG LEU A 69 12.068 15.742 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.401 15.944 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.858 14.830 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.478 14.186 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.798 16.189 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.961 14.439 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.010 15.251 6.380 1.00 0.00 H new ATOM 1026 N GLY A 70 13.640 12.116 2.337 1.00 0.00 N ATOM 1027 CA GLY A 70 13.728 10.875 1.593 1.00 0.00 C ATOM 1028 C GLY A 70 12.420 10.530 0.914 1.00 0.00 C ATOM 1029 O GLY A 70 11.567 11.394 0.734 1.00 0.00 O ATOM 0 H GLY A 70 13.496 12.946 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.516 10.956 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.011 10.067 2.267 1.00 0.00 H new ATOM 1033 N THR A 71 12.237 9.276 0.536 1.00 0.00 N ATOM 1034 CA THR A 71 10.996 8.883 -0.104 1.00 0.00 C ATOM 1035 C THR A 71 9.903 8.707 0.957 1.00 0.00 C ATOM 1036 O THR A 71 9.604 7.607 1.420 1.00 0.00 O ATOM 1037 CB THR A 71 11.153 7.611 -0.980 1.00 0.00 C ATOM 1038 OG1 THR A 71 9.891 7.240 -1.546 1.00 0.00 O ATOM 1039 CG2 THR A 71 11.717 6.437 -0.197 1.00 0.00 C ATOM 0 H THR A 71 12.918 8.527 0.658 1.00 0.00 H new ATOM 0 HA THR A 71 10.703 9.680 -0.788 1.00 0.00 H new ATOM 0 HB THR A 71 11.860 7.857 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.027 6.541 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.808 5.572 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.700 6.700 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.049 6.196 0.630 1.00 0.00 H new ATOM 1047 N VAL A 72 9.327 9.828 1.336 1.00 0.00 N ATOM 1048 CA VAL A 72 8.408 9.906 2.452 1.00 0.00 C ATOM 1049 C VAL A 72 6.991 9.743 1.956 1.00 0.00 C ATOM 1050 O VAL A 72 6.639 10.266 0.896 1.00 0.00 O ATOM 1051 CB VAL A 72 8.541 11.266 3.172 1.00 0.00 C ATOM 1052 CG1 VAL A 72 7.681 11.314 4.422 1.00 0.00 C ATOM 1053 CG2 VAL A 72 9.992 11.550 3.514 1.00 0.00 C ATOM 0 H VAL A 72 9.486 10.722 0.872 1.00 0.00 H new ATOM 0 HA VAL A 72 8.649 9.108 3.155 1.00 0.00 H new ATOM 0 HB VAL A 72 8.186 12.040 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.797 12.284 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.636 11.166 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.992 10.526 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.065 12.512 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.372 10.766 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.583 11.576 2.599 1.00 0.00 H new ATOM 1063 N VAL A 73 6.172 9.037 2.708 1.00 0.00 N ATOM 1064 CA VAL A 73 4.823 8.803 2.267 1.00 0.00 C ATOM 1065 C VAL A 73 3.924 9.938 2.733 1.00 0.00 C ATOM 1066 O VAL A 73 3.193 9.806 3.712 1.00 0.00 O ATOM 1067 CB VAL A 73 4.289 7.488 2.879 1.00 0.00 C ATOM 1068 CG1 VAL A 73 3.042 7.011 2.173 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.344 6.399 2.873 1.00 0.00 C ATOM 0 H VAL A 73 6.415 8.625 3.609 1.00 0.00 H new ATOM 0 HA VAL A 73 4.822 8.740 1.179 1.00 0.00 H new ATOM 0 HB VAL A 73 4.031 7.707 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.696 6.084 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.264 7.770 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.265 6.834 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.931 5.490 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.655 6.199 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.206 6.724 3.456 1.00 0.00 H new ATOM 1079 N GLU A 74 4.029 11.076 2.066 1.00 0.00 N ATOM 1080 CA GLU A 74 2.973 12.070 2.055 1.00 0.00 C ATOM 1081 C GLU A 74 2.946 12.778 0.704 1.00 0.00 C ATOM 1082 O GLU A 74 3.506 13.868 0.567 1.00 0.00 O ATOM 1083 CB GLU A 74 3.156 13.076 3.199 1.00 0.00 C ATOM 1084 CG GLU A 74 4.612 13.299 3.583 1.00 0.00 C ATOM 1085 CD GLU A 74 4.808 14.472 4.523 1.00 0.00 C ATOM 1086 OE1 GLU A 74 4.206 14.478 5.616 1.00 0.00 O ATOM 1087 OE2 GLU A 74 5.577 15.391 4.176 1.00 0.00 O ATOM 0 H GLU A 74 4.849 11.335 1.518 1.00 0.00 H new ATOM 0 HA GLU A 74 2.017 11.569 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.715 14.029 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.608 12.724 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.999 12.396 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.198 13.464 2.679 1.00 0.00 H new ATOM 1094 N LYS A 75 2.350 12.171 -0.304 1.00 0.00 N ATOM 1095 CA LYS A 75 2.171 12.867 -1.565 1.00 0.00 C ATOM 1096 C LYS A 75 0.780 13.438 -1.696 1.00 0.00 C ATOM 1097 O LYS A 75 0.512 14.591 -1.367 1.00 0.00 O ATOM 1098 CB LYS A 75 2.445 11.986 -2.780 1.00 0.00 C ATOM 1099 CG LYS A 75 2.375 12.781 -4.075 1.00 0.00 C ATOM 1100 CD LYS A 75 2.606 11.928 -5.304 1.00 0.00 C ATOM 1101 CE LYS A 75 2.495 12.772 -6.560 1.00 0.00 C ATOM 1102 NZ LYS A 75 2.725 11.979 -7.794 1.00 0.00 N ATOM 0 H LYS A 75 1.988 11.218 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 75 2.905 13.672 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.431 11.530 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.720 11.173 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.398 13.259 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.119 13.578 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.592 11.466 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.876 11.119 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.506 13.228 -6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.219 13.586 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.723 12.612 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.644 11.496 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.969 11.272 -7.898 1.00 0.00 H new ATOM 1116 N ASN A 76 -0.098 12.577 -2.171 1.00 0.00 N ATOM 1117 CA ASN A 76 -1.388 12.978 -2.663 1.00 0.00 C ATOM 1118 C ASN A 76 -2.463 12.125 -2.038 1.00 0.00 C ATOM 1119 O ASN A 76 -2.708 11.022 -2.517 1.00 0.00 O ATOM 1120 CB ASN A 76 -1.421 12.773 -4.175 1.00 0.00 C ATOM 1121 CG ASN A 76 -2.475 13.615 -4.866 1.00 0.00 C ATOM 1122 OD1 ASN A 76 -3.613 13.179 -5.044 1.00 0.00 O ATOM 1123 ND2 ASN A 76 -2.106 14.818 -5.275 1.00 0.00 N ATOM 0 H ASN A 76 0.071 11.573 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.562 14.025 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.442 13.014 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.607 11.721 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.774 15.420 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.154 15.143 -5.109 1.00 0.00 H new ATOM 1130 N PRO A 77 -3.086 12.591 -0.945 1.00 0.00 N ATOM 1131 CA PRO A 77 -4.196 11.879 -0.326 1.00 0.00 C ATOM 1132 C PRO A 77 -5.186 11.407 -1.366 1.00 0.00 C ATOM 1133 O PRO A 77 -5.709 12.210 -2.145 1.00 0.00 O ATOM 1134 CB PRO A 77 -4.812 12.916 0.596 1.00 0.00 C ATOM 1135 CG PRO A 77 -3.673 13.798 0.969 1.00 0.00 C ATOM 1136 CD PRO A 77 -2.765 13.841 -0.232 1.00 0.00 C ATOM 0 HA PRO A 77 -3.883 10.979 0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.601 13.476 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.260 12.451 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.023 14.797 1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.148 13.408 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.957 14.718 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.715 13.880 0.059 1.00 0.00 H new ATOM 1144 N ILE A 78 -5.420 10.098 -1.385 1.00 0.00 N ATOM 1145 CA ILE A 78 -6.272 9.492 -2.375 1.00 0.00 C ATOM 1146 C ILE A 78 -7.618 10.155 -2.321 1.00 0.00 C ATOM 1147 O ILE A 78 -8.114 10.456 -1.235 1.00 0.00 O ATOM 1148 CB ILE A 78 -6.460 7.972 -2.148 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -5.725 7.491 -0.893 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -6.029 7.174 -3.369 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -6.449 7.835 0.393 1.00 0.00 C ATOM 0 H ILE A 78 -5.022 9.440 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.796 9.625 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.525 7.800 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.592 6.411 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.729 7.934 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.173 6.111 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.628 7.473 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.976 7.366 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.875 7.466 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.558 8.917 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.435 7.370 0.391 1.00 0.00 H new ATOM 1163 N VAL A 79 -8.151 10.451 -3.492 1.00 0.00 N ATOM 1164 CA VAL A 79 -9.460 11.082 -3.615 1.00 0.00 C ATOM 1165 C VAL A 79 -10.547 10.278 -2.892 1.00 0.00 C ATOM 1166 O VAL A 79 -11.283 9.496 -3.503 1.00 0.00 O ATOM 1167 CB VAL A 79 -9.853 11.271 -5.092 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -11.170 12.028 -5.216 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -8.749 11.993 -5.851 1.00 0.00 C ATOM 0 H VAL A 79 -7.694 10.263 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.382 12.061 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.989 10.284 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.423 12.147 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.960 11.469 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.070 13.010 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.045 12.117 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.579 12.972 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.831 11.408 -5.802 1.00 0.00 H new