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 23 LYS NZ :NH3+ 172:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 24 SER OG : rot 17:sc= 2.29 USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.18! C(o=2!,f=-12!) USER MOD Set 2.2: A 20 THR OG1 : rot 139:sc= 1.12 USER MOD Set 2.3: A 42 GLN : amide:sc= 1.02 K(o=2,f=-5.1!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.647) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 2.4 (180deg=1.86) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.199 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0713 (180deg=-0.433) USER MOD Single : A 49 THR OG1 : rot -160:sc= -1.3 USER MOD Single : A 51 SER OG : rot 180:sc= 0 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= -0.126 USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.316 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -2.08! (180deg=-3.29!) USER MOD Single : A 76 ASN : amide:sc= 0.249 K(o=0.25,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 10.316 -14.121 3.669 1.00 0.00 N ATOM 33 CA TYR A 3 9.514 -13.647 2.559 1.00 0.00 C ATOM 34 C TYR A 3 8.858 -14.822 1.854 1.00 0.00 C ATOM 35 O TYR A 3 9.443 -15.903 1.743 1.00 0.00 O ATOM 36 CB TYR A 3 10.346 -12.806 1.584 1.00 0.00 C ATOM 37 CG TYR A 3 11.407 -13.568 0.819 1.00 0.00 C ATOM 38 CD1 TYR A 3 12.670 -13.774 1.357 1.00 0.00 C ATOM 39 CD2 TYR A 3 11.145 -14.060 -0.452 1.00 0.00 C ATOM 40 CE1 TYR A 3 13.644 -14.450 0.644 1.00 0.00 C ATOM 41 CE2 TYR A 3 12.111 -14.739 -1.166 1.00 0.00 C ATOM 42 CZ TYR A 3 13.356 -14.930 -0.614 1.00 0.00 C ATOM 43 OH TYR A 3 14.321 -15.596 -1.333 1.00 0.00 O ATOM 0 HA TYR A 3 8.732 -12.997 2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.672 -12.336 0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.829 -12.004 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.895 -13.402 2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.169 -13.909 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.624 -14.600 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.891 -15.118 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 3 13.953 -15.869 -2.199 1.00 0.00 H new ATOM 53 N LYS A 4 7.643 -14.611 1.394 1.00 0.00 N ATOM 54 CA LYS A 4 6.843 -15.687 0.842 1.00 0.00 C ATOM 55 C LYS A 4 7.012 -15.763 -0.664 1.00 0.00 C ATOM 56 O LYS A 4 6.882 -14.758 -1.361 1.00 0.00 O ATOM 57 CB LYS A 4 5.381 -15.470 1.214 1.00 0.00 C ATOM 58 CG LYS A 4 5.186 -15.264 2.706 1.00 0.00 C ATOM 59 CD LYS A 4 3.775 -14.827 3.043 1.00 0.00 C ATOM 60 CE LYS A 4 3.652 -14.478 4.518 1.00 0.00 C ATOM 61 NZ LYS A 4 4.553 -13.356 4.900 1.00 0.00 N ATOM 0 H LYS A 4 7.185 -13.700 1.391 1.00 0.00 H new ATOM 0 HA LYS A 4 7.180 -16.636 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.998 -14.602 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.795 -16.330 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.413 -16.191 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.892 -14.514 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.503 -13.963 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.074 -15.624 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.620 -14.207 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.889 -15.355 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.256 -12.970 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.530 -13.704 4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.503 -12.609 4.178 1.00 0.00 H new ATOM 75 N ALA A 5 7.320 -16.953 -1.154 1.00 0.00 N ATOM 76 CA ALA A 5 7.502 -17.169 -2.579 1.00 0.00 C ATOM 77 C ALA A 5 6.171 -17.051 -3.314 1.00 0.00 C ATOM 78 O ALA A 5 5.234 -17.809 -3.048 1.00 0.00 O ATOM 79 CB ALA A 5 8.135 -18.530 -2.830 1.00 0.00 C ATOM 0 H ALA A 5 7.450 -17.788 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 5 8.172 -16.400 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.266 -18.678 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.106 -18.576 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.488 -19.311 -2.432 1.00 0.00 H new ATOM 85 N PRO A 6 6.067 -16.082 -4.231 1.00 0.00 N ATOM 86 CA PRO A 6 4.851 -15.841 -4.993 1.00 0.00 C ATOM 87 C PRO A 6 4.787 -16.667 -6.274 1.00 0.00 C ATOM 88 O PRO A 6 5.807 -17.167 -6.760 1.00 0.00 O ATOM 89 CB PRO A 6 4.959 -14.354 -5.316 1.00 0.00 C ATOM 90 CG PRO A 6 6.427 -14.091 -5.434 1.00 0.00 C ATOM 91 CD PRO A 6 7.131 -15.125 -4.586 1.00 0.00 C ATOM 0 HA PRO A 6 3.952 -16.120 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.439 -14.112 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.511 -13.746 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.749 -14.160 -6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.667 -13.084 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.937 -15.611 -5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.577 -14.676 -3.698 1.00 0.00 H new ATOM 99 N GLU A 7 3.582 -16.818 -6.808 1.00 0.00 N ATOM 100 CA GLU A 7 3.379 -17.511 -8.072 1.00 0.00 C ATOM 101 C GLU A 7 2.489 -16.680 -8.985 1.00 0.00 C ATOM 102 O GLU A 7 1.261 -16.724 -8.879 1.00 0.00 O ATOM 103 CB GLU A 7 2.745 -18.884 -7.853 1.00 0.00 C ATOM 104 CG GLU A 7 3.512 -19.773 -6.893 1.00 0.00 C ATOM 105 CD GLU A 7 2.915 -21.155 -6.790 1.00 0.00 C ATOM 106 OE1 GLU A 7 1.743 -21.270 -6.379 1.00 0.00 O ATOM 107 OE2 GLU A 7 3.612 -22.137 -7.129 1.00 0.00 O ATOM 0 H GLU A 7 2.725 -16.467 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 7 4.354 -17.651 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.732 -18.748 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.662 -19.392 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.548 -19.851 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.526 -19.311 -5.906 1.00 0.00 H new ATOM 114 N GLY A 8 3.114 -15.905 -9.863 1.00 0.00 N ATOM 115 CA GLY A 8 2.367 -15.028 -10.742 1.00 0.00 C ATOM 116 C GLY A 8 1.801 -13.841 -9.991 1.00 0.00 C ATOM 117 O GLY A 8 0.673 -13.412 -10.240 1.00 0.00 O ATOM 0 H GLY A 8 4.126 -15.869 -9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.016 -14.677 -11.544 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.555 -15.585 -11.209 1.00 0.00 H new ATOM 121 N LYS A 9 2.582 -13.319 -9.058 1.00 0.00 N ATOM 122 CA LYS A 9 2.158 -12.185 -8.257 1.00 0.00 C ATOM 123 C LYS A 9 2.860 -10.924 -8.735 1.00 0.00 C ATOM 124 O LYS A 9 4.066 -10.770 -8.537 1.00 0.00 O ATOM 125 CB LYS A 9 2.488 -12.418 -6.780 1.00 0.00 C ATOM 126 CG LYS A 9 1.868 -11.394 -5.843 1.00 0.00 C ATOM 127 CD LYS A 9 0.597 -11.924 -5.199 1.00 0.00 C ATOM 128 CE LYS A 9 0.903 -12.935 -4.103 1.00 0.00 C ATOM 129 NZ LYS A 9 1.674 -12.323 -2.986 1.00 0.00 N ATOM 0 H LYS A 9 3.516 -13.665 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 9 1.080 -12.069 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.146 -13.413 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.570 -12.404 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.586 -11.128 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.644 -10.482 -6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.027 -11.094 -4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.030 -12.390 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.030 -13.347 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.469 -13.766 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.508 -12.863 -2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.688 -12.339 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.365 -11.339 -2.849 1.00 0.00 H new ATOM 143 N GLY A 10 2.119 -10.035 -9.375 1.00 0.00 N ATOM 144 CA GLY A 10 2.700 -8.795 -9.810 1.00 0.00 C ATOM 145 C GLY A 10 2.603 -7.725 -8.748 1.00 0.00 C ATOM 146 O GLY A 10 2.425 -8.020 -7.564 1.00 0.00 O ATOM 0 H GLY A 10 1.131 -10.153 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.746 -8.956 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.196 -8.455 -10.715 1.00 0.00 H new ATOM 150 N TYR A 11 2.678 -6.482 -9.181 1.00 0.00 N ATOM 151 CA TYR A 11 2.663 -5.333 -8.281 1.00 0.00 C ATOM 152 C TYR A 11 1.276 -5.117 -7.680 1.00 0.00 C ATOM 153 O TYR A 11 1.078 -4.209 -6.882 1.00 0.00 O ATOM 154 CB TYR A 11 3.071 -4.075 -9.051 1.00 0.00 C ATOM 155 CG TYR A 11 2.004 -3.611 -10.018 1.00 0.00 C ATOM 156 CD1 TYR A 11 1.439 -4.497 -10.926 1.00 0.00 C ATOM 157 CD2 TYR A 11 1.541 -2.304 -10.004 1.00 0.00 C ATOM 158 CE1 TYR A 11 0.447 -4.103 -11.790 1.00 0.00 C ATOM 159 CE2 TYR A 11 0.549 -1.893 -10.871 1.00 0.00 C ATOM 160 CZ TYR A 11 0.001 -2.797 -11.762 1.00 0.00 C ATOM 161 OH TYR A 11 -0.999 -2.396 -12.621 1.00 0.00 O ATOM 0 H TYR A 11 2.751 -6.234 -10.168 1.00 0.00 H new ATOM 0 HA TYR A 11 3.367 -5.529 -7.472 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.287 -3.275 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.992 -4.272 -9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.788 -5.519 -10.953 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.963 -1.597 -9.305 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.019 -4.809 -12.486 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.203 -0.870 -10.854 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.197 -1.448 -12.473 1.00 0.00 H new ATOM 171 N ALA A 12 0.331 -5.971 -8.037 1.00 0.00 N ATOM 172 CA ALA A 12 -1.067 -5.738 -7.707 1.00 0.00 C ATOM 173 C ALA A 12 -1.354 -6.068 -6.252 1.00 0.00 C ATOM 174 O ALA A 12 -2.270 -5.507 -5.649 1.00 0.00 O ATOM 175 CB ALA A 12 -1.970 -6.547 -8.626 1.00 0.00 C ATOM 0 H ALA A 12 0.505 -6.832 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.275 -4.678 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.012 -6.362 -8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.795 -6.251 -9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.750 -7.608 -8.510 1.00 0.00 H new ATOM 181 N ASP A 13 -0.552 -6.951 -5.679 1.00 0.00 N ATOM 182 CA ASP A 13 -0.744 -7.351 -4.296 1.00 0.00 C ATOM 183 C ASP A 13 -0.244 -6.250 -3.375 1.00 0.00 C ATOM 184 O ASP A 13 -0.864 -5.933 -2.359 1.00 0.00 O ATOM 185 CB ASP A 13 0.000 -8.658 -4.014 1.00 0.00 C ATOM 186 CG ASP A 13 -0.431 -9.320 -2.719 1.00 0.00 C ATOM 187 OD1 ASP A 13 -1.535 -9.015 -2.220 1.00 0.00 O ATOM 188 OD2 ASP A 13 0.318 -10.181 -2.215 1.00 0.00 O ATOM 0 H ASP A 13 0.234 -7.402 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.806 -7.514 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.165 -9.349 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.071 -8.458 -3.974 1.00 0.00 H new ATOM 193 N VAL A 14 0.862 -5.630 -3.760 1.00 0.00 N ATOM 194 CA VAL A 14 1.439 -4.558 -2.972 1.00 0.00 C ATOM 195 C VAL A 14 0.801 -3.218 -3.299 1.00 0.00 C ATOM 196 O VAL A 14 0.813 -2.301 -2.476 1.00 0.00 O ATOM 197 CB VAL A 14 2.964 -4.483 -3.139 1.00 0.00 C ATOM 198 CG1 VAL A 14 3.606 -5.587 -2.336 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.373 -4.594 -4.597 1.00 0.00 C ATOM 0 H VAL A 14 1.375 -5.853 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 14 1.228 -4.788 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 14 3.303 -3.513 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.689 -5.538 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.347 -5.469 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.246 -6.552 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.459 -4.537 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.030 -5.547 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.925 -3.778 -5.164 1.00 0.00 H new ATOM 209 N ALA A 15 0.222 -3.116 -4.491 1.00 0.00 N ATOM 210 CA ALA A 15 -0.582 -1.951 -4.857 1.00 0.00 C ATOM 211 C ALA A 15 -1.840 -1.903 -4.005 1.00 0.00 C ATOM 212 O ALA A 15 -2.549 -0.902 -3.972 1.00 0.00 O ATOM 213 CB ALA A 15 -0.945 -1.977 -6.336 1.00 0.00 C ATOM 0 H ALA A 15 0.293 -3.825 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 15 0.010 -1.054 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.543 -1.099 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.034 -1.973 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.518 -2.878 -6.554 1.00 0.00 H new ATOM 219 N THR A 16 -2.116 -3.009 -3.332 1.00 0.00 N ATOM 220 CA THR A 16 -3.206 -3.070 -2.383 1.00 0.00 C ATOM 221 C THR A 16 -2.659 -3.024 -0.954 1.00 0.00 C ATOM 222 O THR A 16 -3.314 -2.532 -0.050 1.00 0.00 O ATOM 223 CB THR A 16 -4.034 -4.356 -2.575 1.00 0.00 C ATOM 224 OG1 THR A 16 -4.253 -4.592 -3.975 1.00 0.00 O ATOM 225 CG2 THR A 16 -5.377 -4.254 -1.873 1.00 0.00 C ATOM 0 H THR A 16 -1.594 -3.880 -3.430 1.00 0.00 H new ATOM 0 HA THR A 16 -3.853 -2.210 -2.556 1.00 0.00 H new ATOM 0 HB THR A 16 -3.473 -5.183 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.423 -4.912 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.939 -5.176 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.219 -4.099 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.939 -3.415 -2.283 1.00 0.00 H new ATOM 233 N HIS A 17 -1.424 -3.493 -0.773 1.00 0.00 N ATOM 234 CA HIS A 17 -0.822 -3.629 0.560 1.00 0.00 C ATOM 235 C HIS A 17 -0.715 -2.294 1.298 1.00 0.00 C ATOM 236 O HIS A 17 -0.609 -2.271 2.520 1.00 0.00 O ATOM 237 CB HIS A 17 0.567 -4.274 0.459 1.00 0.00 C ATOM 238 CG HIS A 17 1.199 -4.581 1.790 1.00 0.00 C ATOM 239 ND1 HIS A 17 0.473 -4.841 2.938 1.00 0.00 N ATOM 240 CD2 HIS A 17 2.501 -4.677 2.148 1.00 0.00 C ATOM 241 CE1 HIS A 17 1.302 -5.080 3.937 1.00 0.00 C ATOM 242 NE2 HIS A 17 2.536 -4.988 3.484 1.00 0.00 N ATOM 0 H HIS A 17 -0.815 -3.788 -1.536 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.487 -4.271 1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.486 -5.197 -0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.225 -3.608 -0.099 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.354 -4.535 1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.017 -5.312 4.953 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.382 -5.126 4.038 1.00 0.00 H new ATOM 251 N PHE A 18 -0.741 -1.190 0.568 1.00 0.00 N ATOM 252 CA PHE A 18 -0.597 0.126 1.182 1.00 0.00 C ATOM 253 C PHE A 18 -1.685 0.349 2.224 1.00 0.00 C ATOM 254 O PHE A 18 -1.464 0.981 3.254 1.00 0.00 O ATOM 255 CB PHE A 18 -0.674 1.218 0.115 1.00 0.00 C ATOM 256 CG PHE A 18 -2.074 1.495 -0.376 1.00 0.00 C ATOM 257 CD1 PHE A 18 -2.629 0.739 -1.395 1.00 0.00 C ATOM 258 CD2 PHE A 18 -2.836 2.505 0.193 1.00 0.00 C ATOM 259 CE1 PHE A 18 -3.916 0.986 -1.837 1.00 0.00 C ATOM 260 CE2 PHE A 18 -4.120 2.756 -0.246 1.00 0.00 C ATOM 261 CZ PHE A 18 -4.661 1.995 -1.261 1.00 0.00 C ATOM 0 H PHE A 18 -0.860 -1.176 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 18 0.376 0.172 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.253 2.138 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.053 0.929 -0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.051 -0.052 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.419 3.103 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.338 0.390 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.700 3.547 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.666 2.188 -1.605 1.00 0.00 H new ATOM 271 N ARG A 19 -2.849 -0.219 1.947 1.00 0.00 N ATOM 272 CA ARG A 19 -4.033 -0.022 2.760 1.00 0.00 C ATOM 273 C ARG A 19 -3.867 -0.675 4.119 1.00 0.00 C ATOM 274 O ARG A 19 -4.489 -0.279 5.098 1.00 0.00 O ATOM 275 CB ARG A 19 -5.224 -0.614 2.027 1.00 0.00 C ATOM 276 CG ARG A 19 -5.230 -2.127 1.980 1.00 0.00 C ATOM 277 CD ARG A 19 -6.344 -2.637 1.091 1.00 0.00 C ATOM 278 NE ARG A 19 -7.657 -2.323 1.645 1.00 0.00 N ATOM 279 CZ ARG A 19 -8.567 -3.237 1.971 1.00 0.00 C ATOM 280 NH1 ARG A 19 -8.318 -4.527 1.782 1.00 0.00 N ATOM 281 NH2 ARG A 19 -9.720 -2.859 2.495 1.00 0.00 N ATOM 0 H ARG A 19 -2.996 -0.833 1.146 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.191 1.044 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.140 -0.272 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.237 -0.229 1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.270 -2.487 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.352 -2.525 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.251 -2.194 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.248 -3.716 0.969 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.892 -1.341 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.426 -4.821 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.019 -5.224 2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.910 -1.869 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.420 -3.558 2.746 1.00 0.00 H new ATOM 295 N THR A 20 -3.026 -1.688 4.152 1.00 0.00 N ATOM 296 CA THR A 20 -2.691 -2.366 5.390 1.00 0.00 C ATOM 297 C THR A 20 -1.946 -1.413 6.331 1.00 0.00 C ATOM 298 O THR A 20 -2.128 -1.451 7.546 1.00 0.00 O ATOM 299 CB THR A 20 -1.800 -3.594 5.118 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.222 -4.261 3.916 1.00 0.00 O ATOM 301 CG2 THR A 20 -1.847 -4.570 6.281 1.00 0.00 C ATOM 0 H THR A 20 -2.557 -2.064 3.328 1.00 0.00 H new ATOM 0 HA THR A 20 -3.621 -2.693 5.854 1.00 0.00 H new ATOM 0 HB THR A 20 -0.775 -3.242 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.435 -4.538 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.210 -5.427 6.063 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.493 -4.075 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.872 -4.909 6.430 1.00 0.00 H new ATOM 309 N LEU A 21 -1.123 -0.550 5.740 1.00 0.00 N ATOM 310 CA LEU A 21 -0.263 0.357 6.493 1.00 0.00 C ATOM 311 C LEU A 21 -0.951 1.703 6.735 1.00 0.00 C ATOM 312 O LEU A 21 -0.963 2.220 7.854 1.00 0.00 O ATOM 313 CB LEU A 21 1.066 0.579 5.754 1.00 0.00 C ATOM 314 CG LEU A 21 2.059 -0.596 5.725 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.225 -1.212 7.106 1.00 0.00 C ATOM 316 CD2 LEU A 21 1.649 -1.649 4.709 1.00 0.00 C ATOM 0 H LEU A 21 -1.034 -0.460 4.728 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.063 -0.106 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.838 0.854 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.567 1.434 6.209 1.00 0.00 H new ATOM 0 HG LEU A 21 3.025 -0.196 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.933 -2.039 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.600 -0.458 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.262 -1.581 7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.373 -2.463 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.663 -2.038 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.616 -1.202 3.715 1.00 0.00 H new ATOM 328 N ILE A 22 -1.517 2.265 5.672 1.00 0.00 N ATOM 329 CA ILE A 22 -2.191 3.565 5.726 1.00 0.00 C ATOM 330 C ILE A 22 -3.466 3.483 6.567 1.00 0.00 C ATOM 331 O ILE A 22 -4.043 4.503 6.954 1.00 0.00 O ATOM 332 CB ILE A 22 -2.513 4.057 4.289 1.00 0.00 C ATOM 333 CG1 ILE A 22 -1.210 4.332 3.539 1.00 0.00 C ATOM 334 CG2 ILE A 22 -3.387 5.306 4.290 1.00 0.00 C ATOM 335 CD1 ILE A 22 -0.361 5.396 4.201 1.00 0.00 C ATOM 0 H ILE A 22 -1.523 1.835 4.747 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.522 4.283 6.201 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.075 3.269 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.636 3.408 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.442 4.642 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.585 5.612 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.330 5.090 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.872 6.110 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.550 5.547 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.920 6.331 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.101 5.078 5.211 1.00 0.00 H new ATOM 347 N LYS A 23 -3.872 2.253 6.864 1.00 0.00 N ATOM 348 CA LYS A 23 -5.071 1.977 7.622 1.00 0.00 C ATOM 349 C LYS A 23 -5.165 2.827 8.891 1.00 0.00 C ATOM 350 O LYS A 23 -5.929 3.792 8.933 1.00 0.00 O ATOM 351 CB LYS A 23 -5.111 0.490 7.965 1.00 0.00 C ATOM 352 CG LYS A 23 -6.459 0.021 8.465 1.00 0.00 C ATOM 353 CD LYS A 23 -6.467 -0.187 9.970 1.00 0.00 C ATOM 354 CE LYS A 23 -5.500 -1.285 10.379 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.429 -1.443 11.854 1.00 0.00 N ATOM 0 H LYS A 23 -3.366 1.415 6.578 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.932 2.241 7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.840 -0.086 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.358 0.280 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.220 0.753 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.725 -0.912 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.197 0.743 10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.474 -0.445 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.810 -2.228 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.507 -1.057 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.866 -2.286 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.982 -0.602 12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.389 -1.551 12.238 1.00 0.00 H new ATOM 369 N SER A 24 -4.416 2.476 9.934 1.00 0.00 N ATOM 370 CA SER A 24 -4.597 3.183 11.199 1.00 0.00 C ATOM 371 C SER A 24 -3.357 3.933 11.689 1.00 0.00 C ATOM 372 O SER A 24 -3.482 4.979 12.327 1.00 0.00 O ATOM 373 CB SER A 24 -5.076 2.205 12.277 1.00 0.00 C ATOM 374 OG SER A 24 -4.257 1.042 12.333 1.00 0.00 O ATOM 0 H SER A 24 -3.709 1.741 9.934 1.00 0.00 H new ATOM 0 HA SER A 24 -5.350 3.948 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.070 2.701 13.247 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.107 1.915 12.073 1.00 0.00 H new ATOM 0 HG SER A 24 -3.409 1.217 11.875 1.00 0.00 H new ATOM 380 N GLY A 25 -2.168 3.429 11.401 1.00 0.00 N ATOM 381 CA GLY A 25 -0.979 4.093 11.905 1.00 0.00 C ATOM 382 C GLY A 25 0.321 3.529 11.370 1.00 0.00 C ATOM 383 O GLY A 25 1.353 4.197 11.414 1.00 0.00 O ATOM 0 H GLY A 25 -2.003 2.592 10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.034 5.152 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.972 4.024 12.993 1.00 0.00 H new ATOM 387 N GLU A 26 0.273 2.295 10.883 1.00 0.00 N ATOM 388 CA GLU A 26 1.482 1.538 10.563 1.00 0.00 C ATOM 389 C GLU A 26 2.301 2.190 9.447 1.00 0.00 C ATOM 390 O GLU A 26 3.498 1.931 9.316 1.00 0.00 O ATOM 391 CB GLU A 26 1.158 0.067 10.239 1.00 0.00 C ATOM 392 CG GLU A 26 -0.262 -0.198 9.748 1.00 0.00 C ATOM 393 CD GLU A 26 -1.319 -0.033 10.826 1.00 0.00 C ATOM 394 OE1 GLU A 26 -1.248 -0.747 11.848 1.00 0.00 O ATOM 395 OE2 GLU A 26 -2.203 0.841 10.672 1.00 0.00 O ATOM 0 H GLU A 26 -0.595 1.793 10.699 1.00 0.00 H new ATOM 0 HA GLU A 26 2.105 1.551 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.858 -0.283 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.333 -0.531 11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.485 0.481 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.317 -1.211 9.349 1.00 0.00 H new ATOM 402 N LEU A 27 1.663 3.027 8.647 1.00 0.00 N ATOM 403 CA LEU A 27 2.389 3.904 7.743 1.00 0.00 C ATOM 404 C LEU A 27 2.010 5.338 8.073 1.00 0.00 C ATOM 405 O LEU A 27 1.092 5.909 7.484 1.00 0.00 O ATOM 406 CB LEU A 27 2.085 3.584 6.279 1.00 0.00 C ATOM 407 CG LEU A 27 3.294 3.595 5.336 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.318 2.551 5.761 1.00 0.00 C ATOM 409 CD2 LEU A 27 2.858 3.347 3.900 1.00 0.00 C ATOM 0 H LEU A 27 0.648 3.118 8.604 1.00 0.00 H new ATOM 0 HA LEU A 27 3.461 3.756 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.617 2.601 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.354 4.304 5.912 1.00 0.00 H new ATOM 0 HG LEU A 27 3.757 4.580 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.168 2.576 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.659 2.767 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.861 1.562 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.731 3.359 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.367 2.376 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.163 4.128 3.591 1.00 0.00 H new ATOM 421 N ALA A 28 2.685 5.881 9.073 1.00 0.00 N ATOM 422 CA ALA A 28 2.355 7.193 9.603 1.00 0.00 C ATOM 423 C ALA A 28 2.777 8.303 8.649 1.00 0.00 C ATOM 424 O ALA A 28 3.846 8.233 8.035 1.00 0.00 O ATOM 425 CB ALA A 28 3.015 7.382 10.960 1.00 0.00 C ATOM 0 H ALA A 28 3.472 5.428 9.537 1.00 0.00 H new ATOM 0 HA ALA A 28 1.273 7.251 9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.764 8.367 11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.658 6.616 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.097 7.299 10.853 1.00 0.00 H new ATOM 431 N PRO A 29 1.952 9.355 8.526 1.00 0.00 N ATOM 432 CA PRO A 29 2.266 10.503 7.686 1.00 0.00 C ATOM 433 C PRO A 29 3.282 11.410 8.364 1.00 0.00 C ATOM 434 O PRO A 29 3.074 11.870 9.490 1.00 0.00 O ATOM 435 CB PRO A 29 0.919 11.227 7.522 1.00 0.00 C ATOM 436 CG PRO A 29 -0.101 10.339 8.162 1.00 0.00 C ATOM 437 CD PRO A 29 0.639 9.500 9.159 1.00 0.00 C ATOM 0 HA PRO A 29 2.707 10.213 6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.940 12.206 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.689 11.392 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.878 10.928 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.594 9.714 7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.707 9.988 10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.155 8.536 9.319 1.00 0.00 H new ATOM 445 N GLY A 30 4.385 11.649 7.679 1.00 0.00 N ATOM 446 CA GLY A 30 5.475 12.393 8.262 1.00 0.00 C ATOM 447 C GLY A 30 6.607 11.481 8.672 1.00 0.00 C ATOM 448 O GLY A 30 7.617 11.927 9.217 1.00 0.00 O ATOM 0 H GLY A 30 4.545 11.338 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.840 13.129 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.117 12.945 9.131 1.00 0.00 H new ATOM 452 N ASP A 31 6.426 10.194 8.414 1.00 0.00 N ATOM 453 CA ASP A 31 7.439 9.191 8.704 1.00 0.00 C ATOM 454 C ASP A 31 7.862 8.529 7.401 1.00 0.00 C ATOM 455 O ASP A 31 7.115 8.555 6.428 1.00 0.00 O ATOM 456 CB ASP A 31 6.887 8.153 9.692 1.00 0.00 C ATOM 457 CG ASP A 31 7.930 7.153 10.152 1.00 0.00 C ATOM 458 OD1 ASP A 31 9.121 7.516 10.216 1.00 0.00 O ATOM 459 OD2 ASP A 31 7.562 5.998 10.457 1.00 0.00 O ATOM 0 H ASP A 31 5.574 9.817 7.999 1.00 0.00 H new ATOM 0 HA ASP A 31 8.308 9.662 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.479 8.669 10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.061 7.618 9.223 1.00 0.00 H new ATOM 464 N THR A 32 9.053 7.959 7.362 1.00 0.00 N ATOM 465 CA THR A 32 9.538 7.344 6.138 1.00 0.00 C ATOM 466 C THR A 32 8.996 5.933 5.978 1.00 0.00 C ATOM 467 O THR A 32 8.921 5.169 6.946 1.00 0.00 O ATOM 468 CB THR A 32 11.074 7.291 6.079 1.00 0.00 C ATOM 469 OG1 THR A 32 11.607 6.737 7.289 1.00 0.00 O ATOM 470 CG2 THR A 32 11.663 8.673 5.840 1.00 0.00 C ATOM 0 H THR A 32 9.696 7.909 8.152 1.00 0.00 H new ATOM 0 HA THR A 32 9.179 7.973 5.324 1.00 0.00 H new ATOM 0 HB THR A 32 11.350 6.649 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.585 6.709 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.750 8.604 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.292 9.068 4.894 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.369 9.339 6.651 1.00 0.00 H new ATOM 478 N LEU A 33 8.611 5.586 4.759 1.00 0.00 N ATOM 479 CA LEU A 33 8.189 4.228 4.474 1.00 0.00 C ATOM 480 C LEU A 33 9.412 3.325 4.414 1.00 0.00 C ATOM 481 O LEU A 33 10.510 3.770 4.073 1.00 0.00 O ATOM 482 CB LEU A 33 7.369 4.129 3.175 1.00 0.00 C ATOM 483 CG LEU A 33 7.990 4.769 1.933 1.00 0.00 C ATOM 484 CD1 LEU A 33 7.792 3.872 0.721 1.00 0.00 C ATOM 485 CD2 LEU A 33 7.369 6.134 1.676 1.00 0.00 C ATOM 0 H LEU A 33 8.583 6.220 3.961 1.00 0.00 H new ATOM 0 HA LEU A 33 7.530 3.902 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.189 3.075 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.397 4.590 3.348 1.00 0.00 H new ATOM 0 HG LEU A 33 9.059 4.895 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.239 4.341 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.269 2.908 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.726 3.723 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.821 6.578 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.296 6.022 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.545 6.781 2.535 1.00 0.00 H new ATOM 497 N PRO A 34 9.234 2.050 4.751 1.00 0.00 N ATOM 498 CA PRO A 34 10.335 1.096 4.836 1.00 0.00 C ATOM 499 C PRO A 34 10.825 0.641 3.468 1.00 0.00 C ATOM 500 O PRO A 34 10.192 0.904 2.443 1.00 0.00 O ATOM 501 CB PRO A 34 9.714 -0.078 5.595 1.00 0.00 C ATOM 502 CG PRO A 34 8.261 -0.008 5.273 1.00 0.00 C ATOM 503 CD PRO A 34 7.945 1.453 5.127 1.00 0.00 C ATOM 0 HA PRO A 34 11.212 1.528 5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.145 -1.028 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.887 0.008 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.037 -0.550 4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.663 -0.460 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.186 1.625 4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.564 1.875 6.057 1.00 0.00 H new ATOM 511 N SER A 35 11.964 -0.029 3.459 1.00 0.00 N ATOM 512 CA SER A 35 12.571 -0.468 2.220 1.00 0.00 C ATOM 513 C SER A 35 11.839 -1.693 1.680 1.00 0.00 C ATOM 514 O SER A 35 10.888 -2.187 2.290 1.00 0.00 O ATOM 515 CB SER A 35 14.060 -0.767 2.429 1.00 0.00 C ATOM 516 OG SER A 35 14.728 -0.981 1.194 1.00 0.00 O ATOM 0 H SER A 35 12.486 -0.280 4.299 1.00 0.00 H new ATOM 0 HA SER A 35 12.488 0.332 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.528 0.064 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.170 -1.649 3.060 1.00 0.00 H new ATOM 0 HG SER A 35 15.675 -1.167 1.362 1.00 0.00 H new ATOM 522 N VAL A 36 12.318 -2.195 0.553 1.00 0.00 N ATOM 523 CA VAL A 36 11.632 -3.244 -0.190 1.00 0.00 C ATOM 524 C VAL A 36 11.492 -4.543 0.605 1.00 0.00 C ATOM 525 O VAL A 36 10.643 -5.368 0.291 1.00 0.00 O ATOM 526 CB VAL A 36 12.358 -3.540 -1.520 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.321 -2.320 -2.429 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.798 -3.975 -1.265 1.00 0.00 C ATOM 0 H VAL A 36 13.192 -1.888 0.127 1.00 0.00 H new ATOM 0 HA VAL A 36 10.629 -2.865 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 36 11.839 -4.359 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.837 -2.546 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.285 -2.056 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.814 -1.483 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.290 -4.178 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.331 -3.180 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.803 -4.877 -0.654 1.00 0.00 H new ATOM 538 N ALA A 37 12.303 -4.712 1.642 1.00 0.00 N ATOM 539 CA ALA A 37 12.324 -5.964 2.386 1.00 0.00 C ATOM 540 C ALA A 37 11.046 -6.167 3.199 1.00 0.00 C ATOM 541 O ALA A 37 10.523 -7.276 3.260 1.00 0.00 O ATOM 542 CB ALA A 37 13.544 -6.031 3.290 1.00 0.00 C ATOM 0 H ALA A 37 12.951 -4.003 1.985 1.00 0.00 H new ATOM 0 HA ALA A 37 12.381 -6.772 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.540 -6.974 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.449 -5.965 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.519 -5.202 3.997 1.00 0.00 H new ATOM 548 N ASP A 38 10.535 -5.095 3.802 1.00 0.00 N ATOM 549 CA ASP A 38 9.348 -5.193 4.660 1.00 0.00 C ATOM 550 C ASP A 38 8.120 -5.594 3.852 1.00 0.00 C ATOM 551 O ASP A 38 7.462 -6.590 4.155 1.00 0.00 O ATOM 552 CB ASP A 38 9.069 -3.869 5.381 1.00 0.00 C ATOM 553 CG ASP A 38 10.169 -3.485 6.351 1.00 0.00 C ATOM 554 OD1 ASP A 38 11.212 -2.954 5.907 1.00 0.00 O ATOM 555 OD2 ASP A 38 9.997 -3.702 7.567 1.00 0.00 O ATOM 0 H ASP A 38 10.918 -4.154 3.716 1.00 0.00 H new ATOM 0 HA ASP A 38 9.555 -5.963 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.949 -3.077 4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.125 -3.946 5.921 1.00 0.00 H new ATOM 560 N ILE A 39 7.839 -4.820 2.811 1.00 0.00 N ATOM 561 CA ILE A 39 6.696 -5.044 1.950 1.00 0.00 C ATOM 562 C ILE A 39 6.766 -6.443 1.340 1.00 0.00 C ATOM 563 O ILE A 39 5.762 -7.142 1.256 1.00 0.00 O ATOM 564 CB ILE A 39 6.645 -4.001 0.800 1.00 0.00 C ATOM 565 CG1 ILE A 39 6.548 -2.564 1.324 1.00 0.00 C ATOM 566 CG2 ILE A 39 5.481 -4.274 -0.132 1.00 0.00 C ATOM 567 CD1 ILE A 39 7.870 -1.974 1.760 1.00 0.00 C ATOM 0 H ILE A 39 8.405 -4.015 2.543 1.00 0.00 H new ATOM 0 HA ILE A 39 5.798 -4.944 2.560 1.00 0.00 H new ATOM 0 HB ILE A 39 7.582 -4.102 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.120 -1.933 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.857 -2.542 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.469 -3.529 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.588 -5.268 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.547 -4.222 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.714 -0.956 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.292 -2.579 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.559 -1.961 0.915 1.00 0.00 H new ATOM 579 N ARG A 40 7.978 -6.841 0.964 1.00 0.00 N ATOM 580 CA ARG A 40 8.208 -8.081 0.227 1.00 0.00 C ATOM 581 C ARG A 40 8.200 -9.310 1.139 1.00 0.00 C ATOM 582 O ARG A 40 7.884 -10.419 0.703 1.00 0.00 O ATOM 583 CB ARG A 40 9.543 -7.967 -0.524 1.00 0.00 C ATOM 584 CG ARG A 40 9.923 -9.179 -1.356 1.00 0.00 C ATOM 585 CD ARG A 40 10.836 -10.131 -0.602 1.00 0.00 C ATOM 586 NE ARG A 40 12.166 -9.560 -0.392 1.00 0.00 N ATOM 587 CZ ARG A 40 12.746 -9.434 0.796 1.00 0.00 C ATOM 588 NH1 ARG A 40 12.097 -9.782 1.897 1.00 0.00 N ATOM 589 NH2 ARG A 40 13.976 -8.945 0.877 1.00 0.00 N ATOM 0 H ARG A 40 8.829 -6.314 1.161 1.00 0.00 H new ATOM 0 HA ARG A 40 7.391 -8.220 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.500 -7.096 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.335 -7.782 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.019 -9.708 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.419 -8.850 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.389 -10.375 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.925 -11.065 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 40 12.681 -9.238 -1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.147 -10.149 1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.547 -9.683 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.471 -8.668 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.427 -8.846 1.787 1.00 0.00 H new ATOM 603 N ALA A 41 8.567 -9.128 2.396 1.00 0.00 N ATOM 604 CA ALA A 41 8.606 -10.242 3.336 1.00 0.00 C ATOM 605 C ALA A 41 7.225 -10.516 3.907 1.00 0.00 C ATOM 606 O ALA A 41 6.884 -11.658 4.223 1.00 0.00 O ATOM 607 CB ALA A 41 9.602 -9.971 4.445 1.00 0.00 C ATOM 0 H ALA A 41 8.841 -8.228 2.790 1.00 0.00 H new ATOM 0 HA ALA A 41 8.931 -11.131 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.616 -10.814 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.595 -9.836 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.312 -9.067 4.981 1.00 0.00 H new ATOM 613 N GLN A 42 6.438 -9.463 4.038 1.00 0.00 N ATOM 614 CA GLN A 42 5.054 -9.600 4.451 1.00 0.00 C ATOM 615 C GLN A 42 4.254 -10.124 3.279 1.00 0.00 C ATOM 616 O GLN A 42 3.734 -11.241 3.297 1.00 0.00 O ATOM 617 CB GLN A 42 4.479 -8.253 4.887 1.00 0.00 C ATOM 618 CG GLN A 42 5.167 -7.633 6.088 1.00 0.00 C ATOM 619 CD GLN A 42 4.703 -6.212 6.342 1.00 0.00 C ATOM 620 OE1 GLN A 42 4.319 -5.496 5.414 1.00 0.00 O ATOM 621 NE2 GLN A 42 4.726 -5.794 7.596 1.00 0.00 N ATOM 0 H GLN A 42 6.735 -8.503 3.864 1.00 0.00 H new ATOM 0 HA GLN A 42 5.001 -10.287 5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.541 -7.558 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.421 -8.381 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.971 -8.241 6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.245 -7.639 5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.051 -6.417 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.419 -4.848 7.824 1.00 0.00 H new ATOM 630 N PHE A 43 4.187 -9.293 2.258 1.00 0.00 N ATOM 631 CA PHE A 43 3.500 -9.612 1.033 1.00 0.00 C ATOM 632 C PHE A 43 4.460 -10.237 0.043 1.00 0.00 C ATOM 633 O PHE A 43 5.379 -9.579 -0.430 1.00 0.00 O ATOM 634 CB PHE A 43 2.865 -8.347 0.467 1.00 0.00 C ATOM 635 CG PHE A 43 1.481 -8.111 1.005 1.00 0.00 C ATOM 636 CD1 PHE A 43 1.196 -8.318 2.348 1.00 0.00 C ATOM 637 CD2 PHE A 43 0.460 -7.703 0.166 1.00 0.00 C ATOM 638 CE1 PHE A 43 -0.078 -8.117 2.839 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.818 -7.500 0.652 1.00 0.00 C ATOM 640 CZ PHE A 43 -1.086 -7.707 1.990 1.00 0.00 C ATOM 0 H PHE A 43 4.615 -8.367 2.261 1.00 0.00 H new ATOM 0 HA PHE A 43 2.711 -10.337 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.495 -7.490 0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.822 -8.420 -0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.981 -8.640 3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.664 -7.541 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.286 -8.280 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.606 -7.180 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.084 -7.548 2.372 1.00 0.00 H new ATOM 650 N GLY A 44 4.256 -11.517 -0.218 1.00 0.00 N ATOM 651 CA GLY A 44 5.097 -12.252 -1.146 1.00 0.00 C ATOM 652 C GLY A 44 5.182 -11.610 -2.520 1.00 0.00 C ATOM 653 O GLY A 44 4.339 -11.859 -3.388 1.00 0.00 O ATOM 0 H GLY A 44 3.510 -12.071 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.101 -12.334 -0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.711 -13.266 -1.250 1.00 0.00 H new ATOM 657 N VAL A 45 6.189 -10.770 -2.697 1.00 0.00 N ATOM 658 CA VAL A 45 6.464 -10.112 -3.974 1.00 0.00 C ATOM 659 C VAL A 45 7.961 -10.102 -4.228 1.00 0.00 C ATOM 660 O VAL A 45 8.724 -10.665 -3.449 1.00 0.00 O ATOM 661 CB VAL A 45 5.928 -8.660 -4.009 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.407 -8.628 -3.995 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.481 -7.854 -2.849 1.00 0.00 C ATOM 0 H VAL A 45 6.845 -10.521 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 45 5.949 -10.675 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 45 6.266 -8.209 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.065 -7.593 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.024 -9.158 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.041 -9.109 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.091 -6.837 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.181 -8.317 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.569 -7.828 -2.910 1.00 0.00 H new ATOM 673 N ALA A 46 8.377 -9.530 -5.345 1.00 0.00 N ATOM 674 CA ALA A 46 9.785 -9.254 -5.568 1.00 0.00 C ATOM 675 C ALA A 46 10.109 -7.866 -5.027 1.00 0.00 C ATOM 676 O ALA A 46 9.204 -7.128 -4.631 1.00 0.00 O ATOM 677 CB ALA A 46 10.135 -9.360 -7.045 1.00 0.00 C ATOM 0 H ALA A 46 7.762 -9.249 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 46 10.386 -9.995 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.195 -9.149 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.916 -10.367 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.544 -8.640 -7.611 1.00 0.00 H new ATOM 683 N ALA A 47 11.374 -7.487 -5.045 1.00 0.00 N ATOM 684 CA ALA A 47 11.780 -6.216 -4.467 1.00 0.00 C ATOM 685 C ALA A 47 11.412 -5.065 -5.395 1.00 0.00 C ATOM 686 O ALA A 47 10.984 -3.999 -4.944 1.00 0.00 O ATOM 687 CB ALA A 47 13.272 -6.224 -4.179 1.00 0.00 C ATOM 0 H ALA A 47 12.133 -8.035 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 47 11.249 -6.073 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.564 -5.267 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.503 -7.025 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.821 -6.385 -5.107 1.00 0.00 H new ATOM 693 N LYS A 48 11.543 -5.294 -6.693 1.00 0.00 N ATOM 694 CA LYS A 48 11.141 -4.301 -7.676 1.00 0.00 C ATOM 695 C LYS A 48 9.624 -4.274 -7.827 1.00 0.00 C ATOM 696 O LYS A 48 9.067 -3.330 -8.388 1.00 0.00 O ATOM 697 CB LYS A 48 11.837 -4.540 -9.026 1.00 0.00 C ATOM 698 CG LYS A 48 11.746 -5.964 -9.562 1.00 0.00 C ATOM 699 CD LYS A 48 10.416 -6.248 -10.242 1.00 0.00 C ATOM 700 CE LYS A 48 10.387 -7.649 -10.831 1.00 0.00 C ATOM 701 NZ LYS A 48 11.461 -7.846 -11.841 1.00 0.00 N ATOM 0 H LYS A 48 11.923 -6.154 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 48 11.458 -3.322 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.405 -3.863 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.889 -4.273 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.556 -6.134 -10.271 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.888 -6.667 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.605 -6.137 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.244 -5.516 -11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.501 -8.382 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.416 -7.829 -11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.236 -8.673 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.531 -7.000 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.368 -8.003 -11.357 1.00 0.00 H new ATOM 715 N THR A 49 8.954 -5.305 -7.313 1.00 0.00 N ATOM 716 CA THR A 49 7.504 -5.351 -7.324 1.00 0.00 C ATOM 717 C THR A 49 6.944 -4.370 -6.297 1.00 0.00 C ATOM 718 O THR A 49 5.979 -3.649 -6.568 1.00 0.00 O ATOM 719 CB THR A 49 7.007 -6.774 -7.024 1.00 0.00 C ATOM 720 OG1 THR A 49 7.610 -7.691 -7.946 1.00 0.00 O ATOM 721 CG2 THR A 49 5.496 -6.862 -7.135 1.00 0.00 C ATOM 0 H THR A 49 9.399 -6.117 -6.885 1.00 0.00 H new ATOM 0 HA THR A 49 7.154 -5.066 -8.316 1.00 0.00 H new ATOM 0 HB THR A 49 7.289 -7.030 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.082 -8.516 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.174 -7.880 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.038 -6.176 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.189 -6.593 -8.146 1.00 0.00 H new ATOM 729 N VAL A 50 7.576 -4.342 -5.127 1.00 0.00 N ATOM 730 CA VAL A 50 7.248 -3.380 -4.083 1.00 0.00 C ATOM 731 C VAL A 50 7.322 -1.960 -4.625 1.00 0.00 C ATOM 732 O VAL A 50 6.328 -1.232 -4.656 1.00 0.00 O ATOM 733 CB VAL A 50 8.244 -3.502 -2.914 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.002 -2.421 -1.873 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.175 -4.884 -2.289 1.00 0.00 C ATOM 0 H VAL A 50 8.328 -4.985 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 50 6.236 -3.593 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 50 9.249 -3.360 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.719 -2.532 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.123 -1.440 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.990 -2.515 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.887 -4.947 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.168 -5.063 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.421 -5.635 -3.039 1.00 0.00 H new ATOM 745 N SER A 51 8.518 -1.595 -5.069 1.00 0.00 N ATOM 746 CA SER A 51 8.792 -0.266 -5.601 1.00 0.00 C ATOM 747 C SER A 51 7.876 0.066 -6.783 1.00 0.00 C ATOM 748 O SER A 51 7.591 1.236 -7.044 1.00 0.00 O ATOM 749 CB SER A 51 10.264 -0.173 -6.028 1.00 0.00 C ATOM 750 OG SER A 51 10.640 1.162 -6.322 1.00 0.00 O ATOM 0 H SER A 51 9.328 -2.215 -5.070 1.00 0.00 H new ATOM 0 HA SER A 51 8.594 0.463 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.899 -0.564 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.429 -0.799 -6.905 1.00 0.00 H new ATOM 0 HG SER A 51 11.583 1.185 -6.589 1.00 0.00 H new ATOM 756 N ARG A 52 7.388 -0.959 -7.475 1.00 0.00 N ATOM 757 CA ARG A 52 6.552 -0.732 -8.648 1.00 0.00 C ATOM 758 C ARG A 52 5.178 -0.242 -8.223 1.00 0.00 C ATOM 759 O ARG A 52 4.668 0.746 -8.751 1.00 0.00 O ATOM 760 CB ARG A 52 6.414 -1.993 -9.505 1.00 0.00 C ATOM 761 CG ARG A 52 5.494 -1.793 -10.700 1.00 0.00 C ATOM 762 CD ARG A 52 5.411 -3.028 -11.579 1.00 0.00 C ATOM 763 NE ARG A 52 4.411 -2.865 -12.634 1.00 0.00 N ATOM 764 CZ ARG A 52 4.008 -3.845 -13.445 1.00 0.00 C ATOM 765 NH1 ARG A 52 4.568 -5.048 -13.375 1.00 0.00 N ATOM 766 NH2 ARG A 52 3.050 -3.618 -14.333 1.00 0.00 N ATOM 0 H ARG A 52 7.553 -1.940 -7.249 1.00 0.00 H new ATOM 0 HA ARG A 52 7.040 0.030 -9.256 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.400 -2.297 -9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.031 -2.806 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.496 -1.534 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.851 -0.951 -11.293 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.385 -3.224 -12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.160 -3.895 -10.968 1.00 0.00 H new ATOM 0 HE ARG A 52 3.995 -1.942 -12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.310 -5.226 -12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.256 -5.793 -13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.621 -2.695 -14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.742 -4.367 -14.953 1.00 0.00 H new ATOM 780 N ALA A 53 4.586 -0.932 -7.259 1.00 0.00 N ATOM 781 CA ALA A 53 3.302 -0.529 -6.716 1.00 0.00 C ATOM 782 C ALA A 53 3.399 0.826 -6.034 1.00 0.00 C ATOM 783 O ALA A 53 2.438 1.586 -6.022 1.00 0.00 O ATOM 784 CB ALA A 53 2.798 -1.564 -5.738 1.00 0.00 C ATOM 0 H ALA A 53 4.977 -1.775 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 53 2.597 -0.447 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.834 -1.248 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.684 -2.521 -6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.512 -1.671 -4.921 1.00 0.00 H new ATOM 790 N LEU A 54 4.566 1.123 -5.471 1.00 0.00 N ATOM 791 CA LEU A 54 4.803 2.415 -4.829 1.00 0.00 C ATOM 792 C LEU A 54 4.585 3.568 -5.811 1.00 0.00 C ATOM 793 O LEU A 54 4.192 4.664 -5.413 1.00 0.00 O ATOM 794 CB LEU A 54 6.219 2.488 -4.253 1.00 0.00 C ATOM 795 CG LEU A 54 6.536 1.468 -3.158 1.00 0.00 C ATOM 796 CD1 LEU A 54 7.958 1.654 -2.651 1.00 0.00 C ATOM 797 CD2 LEU A 54 5.544 1.586 -2.011 1.00 0.00 C ATOM 0 H LEU A 54 5.364 0.488 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 54 4.085 2.510 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.931 2.355 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.378 3.489 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 54 6.449 0.469 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.166 0.920 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.659 1.518 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.070 2.658 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.787 0.852 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.598 2.588 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.536 1.403 -2.382 1.00 0.00 H new ATOM 809 N ALA A 55 4.828 3.310 -7.093 1.00 0.00 N ATOM 810 CA ALA A 55 4.604 4.310 -8.132 1.00 0.00 C ATOM 811 C ALA A 55 3.114 4.593 -8.283 1.00 0.00 C ATOM 812 O ALA A 55 2.708 5.689 -8.662 1.00 0.00 O ATOM 813 CB ALA A 55 5.196 3.853 -9.457 1.00 0.00 C ATOM 0 H ALA A 55 5.180 2.417 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 55 5.105 5.231 -7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.017 4.614 -10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.269 3.700 -9.342 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.726 2.918 -9.762 1.00 0.00 H new ATOM 819 N VAL A 56 2.305 3.595 -7.980 1.00 0.00 N ATOM 820 CA VAL A 56 0.859 3.749 -7.976 1.00 0.00 C ATOM 821 C VAL A 56 0.422 4.309 -6.628 1.00 0.00 C ATOM 822 O VAL A 56 -0.511 5.107 -6.527 1.00 0.00 O ATOM 823 CB VAL A 56 0.158 2.396 -8.217 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.341 2.581 -8.372 1.00 0.00 C ATOM 825 CG2 VAL A 56 0.747 1.697 -9.433 1.00 0.00 C ATOM 0 H VAL A 56 2.627 2.660 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 56 0.579 4.430 -8.779 1.00 0.00 H new ATOM 0 HB VAL A 56 0.329 1.765 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.812 1.612 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.748 3.029 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.541 3.235 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.240 0.745 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.614 2.325 -10.314 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.810 1.520 -9.271 1.00 0.00 H new ATOM 835 N LEU A 57 1.172 3.931 -5.607 1.00 0.00 N ATOM 836 CA LEU A 57 0.876 4.272 -4.227 1.00 0.00 C ATOM 837 C LEU A 57 1.268 5.707 -3.930 1.00 0.00 C ATOM 838 O LEU A 57 1.163 6.159 -2.801 1.00 0.00 O ATOM 839 CB LEU A 57 1.597 3.299 -3.288 1.00 0.00 C ATOM 840 CG LEU A 57 0.768 2.098 -2.794 1.00 0.00 C ATOM 841 CD1 LEU A 57 -0.144 1.549 -3.885 1.00 0.00 C ATOM 842 CD2 LEU A 57 1.696 0.999 -2.297 1.00 0.00 C ATOM 0 H LEU A 57 2.017 3.370 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.198 4.184 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.481 2.919 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.947 3.856 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 57 0.136 2.446 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.710 0.703 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.833 2.329 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.459 1.222 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.104 0.153 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.347 0.677 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.303 1.379 -1.475 1.00 0.00 H new ATOM 854 N LYS A 58 1.711 6.427 -4.949 1.00 0.00 N ATOM 855 CA LYS A 58 1.919 7.854 -4.810 1.00 0.00 C ATOM 856 C LYS A 58 0.576 8.535 -4.580 1.00 0.00 C ATOM 857 O LYS A 58 0.374 9.232 -3.584 1.00 0.00 O ATOM 858 CB LYS A 58 2.559 8.447 -6.062 1.00 0.00 C ATOM 859 CG LYS A 58 3.888 7.833 -6.463 1.00 0.00 C ATOM 860 CD LYS A 58 4.482 8.575 -7.653 1.00 0.00 C ATOM 861 CE LYS A 58 3.515 8.590 -8.830 1.00 0.00 C ATOM 862 NZ LYS A 58 3.931 9.537 -9.896 1.00 0.00 N ATOM 0 H LYS A 58 1.931 6.049 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 58 2.588 8.019 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.862 8.339 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.704 9.516 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.580 7.869 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.748 6.782 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.723 9.598 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.416 8.100 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.442 7.586 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.521 8.861 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.241 9.510 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.976 10.500 -9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.868 9.265 -10.256 1.00 0.00 H new ATOM 876 N SER A 59 -0.339 8.314 -5.519 1.00 0.00 N ATOM 877 CA SER A 59 -1.655 8.928 -5.475 1.00 0.00 C ATOM 878 C SER A 59 -2.641 7.990 -4.798 1.00 0.00 C ATOM 879 O SER A 59 -3.484 8.410 -4.017 1.00 0.00 O ATOM 880 CB SER A 59 -2.127 9.257 -6.891 1.00 0.00 C ATOM 881 OG SER A 59 -1.143 10.001 -7.595 1.00 0.00 O ATOM 0 H SER A 59 -0.188 7.708 -6.325 1.00 0.00 H new ATOM 0 HA SER A 59 -1.597 9.853 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.345 8.335 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.055 9.826 -6.846 1.00 0.00 H new ATOM 0 HG SER A 59 -1.467 10.198 -8.499 1.00 0.00 H new ATOM 887 N GLU A 60 -2.514 6.712 -5.119 1.00 0.00 N ATOM 888 CA GLU A 60 -3.389 5.684 -4.587 1.00 0.00 C ATOM 889 C GLU A 60 -3.062 5.399 -3.122 1.00 0.00 C ATOM 890 O GLU A 60 -3.938 5.422 -2.261 1.00 0.00 O ATOM 891 CB GLU A 60 -3.233 4.416 -5.428 1.00 0.00 C ATOM 892 CG GLU A 60 -3.931 3.205 -4.855 1.00 0.00 C ATOM 893 CD GLU A 60 -5.438 3.304 -4.953 1.00 0.00 C ATOM 894 OE1 GLU A 60 -5.966 3.248 -6.084 1.00 0.00 O ATOM 895 OE2 GLU A 60 -6.105 3.457 -3.910 1.00 0.00 O ATOM 0 H GLU A 60 -1.800 6.360 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.422 6.029 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.622 4.606 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.172 4.193 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.594 2.312 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.645 3.086 -3.810 1.00 0.00 H new ATOM 902 N GLY A 61 -1.786 5.154 -2.851 1.00 0.00 N ATOM 903 CA GLY A 61 -1.360 4.786 -1.515 1.00 0.00 C ATOM 904 C GLY A 61 -1.026 5.983 -0.654 1.00 0.00 C ATOM 905 O GLY A 61 -0.877 5.850 0.558 1.00 0.00 O ATOM 0 H GLY A 61 -1.034 5.204 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.149 4.207 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.486 4.138 -1.583 1.00 0.00 H new ATOM 909 N LEU A 62 -0.901 7.142 -1.296 1.00 0.00 N ATOM 910 CA LEU A 62 -0.648 8.403 -0.607 1.00 0.00 C ATOM 911 C LEU A 62 0.733 8.422 0.058 1.00 0.00 C ATOM 912 O LEU A 62 0.846 8.436 1.282 1.00 0.00 O ATOM 913 CB LEU A 62 -1.740 8.668 0.433 1.00 0.00 C ATOM 914 CG LEU A 62 -3.171 8.742 -0.107 1.00 0.00 C ATOM 915 CD1 LEU A 62 -4.129 9.122 1.008 1.00 0.00 C ATOM 916 CD2 LEU A 62 -3.263 9.730 -1.257 1.00 0.00 C ATOM 0 H LEU A 62 -0.972 7.232 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.665 9.195 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.696 7.881 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.514 9.607 0.939 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.451 7.760 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.144 9.172 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.083 8.373 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.849 10.094 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.288 9.766 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.967 10.720 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.600 9.414 -2.062 1.00 0.00 H new ATOM 928 N VAL A 63 1.781 8.411 -0.759 1.00 0.00 N ATOM 929 CA VAL A 63 3.152 8.507 -0.261 1.00 0.00 C ATOM 930 C VAL A 63 3.967 9.462 -1.125 1.00 0.00 C ATOM 931 O VAL A 63 3.647 9.682 -2.295 1.00 0.00 O ATOM 932 CB VAL A 63 3.863 7.136 -0.237 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.168 6.171 0.715 1.00 0.00 C ATOM 934 CG2 VAL A 63 3.946 6.551 -1.639 1.00 0.00 C ATOM 0 H VAL A 63 1.708 8.336 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 63 3.086 8.881 0.761 1.00 0.00 H new ATOM 0 HB VAL A 63 4.878 7.289 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.691 5.215 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.177 6.585 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.137 6.022 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.450 5.585 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.940 6.420 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.507 7.228 -2.283 1.00 0.00 H new ATOM 944 N SER A 64 5.025 10.013 -0.554 1.00 0.00 N ATOM 945 CA SER A 64 5.887 10.929 -1.279 1.00 0.00 C ATOM 946 C SER A 64 7.288 10.334 -1.403 1.00 0.00 C ATOM 947 O SER A 64 8.108 10.426 -0.486 1.00 0.00 O ATOM 948 CB SER A 64 5.932 12.294 -0.579 1.00 0.00 C ATOM 949 OG SER A 64 6.743 13.215 -1.291 1.00 0.00 O ATOM 0 H SER A 64 5.307 9.841 0.411 1.00 0.00 H new ATOM 0 HA SER A 64 5.483 11.079 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.921 12.692 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.319 12.173 0.433 1.00 0.00 H new ATOM 0 HG SER A 64 6.751 14.075 -0.821 1.00 0.00 H new ATOM 955 N SER A 65 7.548 9.687 -2.526 1.00 0.00 N ATOM 956 CA SER A 65 8.839 9.072 -2.759 1.00 0.00 C ATOM 957 C SER A 65 9.812 10.103 -3.316 1.00 0.00 C ATOM 958 O SER A 65 9.655 10.570 -4.446 1.00 0.00 O ATOM 959 CB SER A 65 8.694 7.891 -3.723 1.00 0.00 C ATOM 960 OG SER A 65 9.910 7.175 -3.848 1.00 0.00 O ATOM 0 H SER A 65 6.881 9.575 -3.289 1.00 0.00 H new ATOM 0 HA SER A 65 9.232 8.698 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.911 7.222 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.381 8.254 -4.702 1.00 0.00 H new ATOM 0 HG SER A 65 9.786 6.426 -4.468 1.00 0.00 H new ATOM 966 N ARG A 66 10.782 10.496 -2.504 1.00 0.00 N ATOM 967 CA ARG A 66 11.805 11.432 -2.942 1.00 0.00 C ATOM 968 C ARG A 66 13.117 10.700 -3.181 1.00 0.00 C ATOM 969 O ARG A 66 13.775 10.275 -2.235 1.00 0.00 O ATOM 970 CB ARG A 66 12.011 12.536 -1.899 1.00 0.00 C ATOM 971 CG ARG A 66 10.744 13.293 -1.515 1.00 0.00 C ATOM 972 CD ARG A 66 10.250 14.205 -2.635 1.00 0.00 C ATOM 973 NE ARG A 66 9.733 13.456 -3.783 1.00 0.00 N ATOM 974 CZ ARG A 66 9.457 13.995 -4.971 1.00 0.00 C ATOM 975 NH1 ARG A 66 9.645 15.290 -5.183 1.00 0.00 N ATOM 976 NH2 ARG A 66 8.990 13.232 -5.947 1.00 0.00 N ATOM 0 H ARG A 66 10.882 10.181 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 66 11.473 11.889 -3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.440 12.093 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.741 13.248 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.961 12.579 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.936 13.889 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.467 14.857 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.067 14.847 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 66 9.574 12.455 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.004 15.883 -4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.431 15.694 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.842 12.235 -5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.778 13.641 -6.857 1.00 0.00 H new ATOM 990 N GLY A 67 13.501 10.560 -4.441 1.00 0.00 N ATOM 991 CA GLY A 67 14.748 9.888 -4.771 1.00 0.00 C ATOM 992 C GLY A 67 15.956 10.772 -4.528 1.00 0.00 C ATOM 993 O GLY A 67 16.840 10.886 -5.374 1.00 0.00 O ATOM 0 H GLY A 67 12.973 10.899 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.838 8.980 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.728 9.582 -5.817 1.00 0.00 H new ATOM 997 N ALA A 68 15.981 11.402 -3.364 1.00 0.00 N ATOM 998 CA ALA A 68 17.039 12.324 -2.992 1.00 0.00 C ATOM 999 C ALA A 68 17.052 12.504 -1.479 1.00 0.00 C ATOM 1000 O ALA A 68 18.065 12.282 -0.818 1.00 0.00 O ATOM 1001 CB ALA A 68 16.840 13.662 -3.691 1.00 0.00 C ATOM 0 H ALA A 68 15.264 11.287 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 68 18.000 11.915 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.640 14.345 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.859 13.515 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.879 14.086 -3.399 1.00 0.00 H new ATOM 1007 N LEU A 69 15.908 12.906 -0.939 1.00 0.00 N ATOM 1008 CA LEU A 69 15.748 13.054 0.502 1.00 0.00 C ATOM 1009 C LEU A 69 15.355 11.719 1.130 1.00 0.00 C ATOM 1010 O LEU A 69 15.776 11.388 2.238 1.00 0.00 O ATOM 1011 CB LEU A 69 14.687 14.114 0.807 1.00 0.00 C ATOM 1012 CG LEU A 69 14.472 14.421 2.292 1.00 0.00 C ATOM 1013 CD1 LEU A 69 15.732 15.016 2.901 1.00 0.00 C ATOM 1014 CD2 LEU A 69 13.295 15.366 2.474 1.00 0.00 C ATOM 0 H LEU A 69 15.074 13.136 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 69 16.698 13.374 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.964 15.038 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.739 13.788 0.380 1.00 0.00 H new ATOM 0 HG LEU A 69 14.248 13.488 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.561 15.228 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 69 16.554 14.307 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.986 15.940 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.156 15.574 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.492 16.298 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.392 14.904 2.073 1.00 0.00 H new ATOM 1026 N GLY A 70 14.541 10.958 0.411 1.00 0.00 N ATOM 1027 CA GLY A 70 14.145 9.650 0.879 1.00 0.00 C ATOM 1028 C GLY A 70 12.679 9.370 0.645 1.00 0.00 C ATOM 1029 O GLY A 70 11.936 10.238 0.183 1.00 0.00 O ATOM 0 H GLY A 70 14.148 11.227 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.742 8.891 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.362 9.568 1.944 1.00 0.00 H new ATOM 1033 N THR A 71 12.262 8.160 0.960 1.00 0.00 N ATOM 1034 CA THR A 71 10.883 7.759 0.779 1.00 0.00 C ATOM 1035 C THR A 71 10.073 8.114 2.018 1.00 0.00 C ATOM 1036 O THR A 71 10.178 7.450 3.050 1.00 0.00 O ATOM 1037 CB THR A 71 10.792 6.248 0.503 1.00 0.00 C ATOM 1038 OG1 THR A 71 11.575 5.532 1.466 1.00 0.00 O ATOM 1039 CG2 THR A 71 11.283 5.924 -0.901 1.00 0.00 C ATOM 0 H THR A 71 12.865 7.433 1.346 1.00 0.00 H new ATOM 0 HA THR A 71 10.475 8.292 -0.079 1.00 0.00 H new ATOM 0 HB THR A 71 9.748 5.945 0.583 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.410 5.899 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.209 4.850 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.670 6.452 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.322 6.238 -1.005 1.00 0.00 H new ATOM 1047 N VAL A 72 9.269 9.162 1.919 1.00 0.00 N ATOM 1048 CA VAL A 72 8.545 9.672 3.070 1.00 0.00 C ATOM 1049 C VAL A 72 7.047 9.491 2.873 1.00 0.00 C ATOM 1050 O VAL A 72 6.526 9.680 1.773 1.00 0.00 O ATOM 1051 CB VAL A 72 8.860 11.165 3.311 1.00 0.00 C ATOM 1052 CG1 VAL A 72 8.307 11.621 4.648 1.00 0.00 C ATOM 1053 CG2 VAL A 72 10.361 11.421 3.236 1.00 0.00 C ATOM 0 H VAL A 72 9.103 9.675 1.053 1.00 0.00 H new ATOM 0 HA VAL A 72 8.867 9.106 3.944 1.00 0.00 H new ATOM 0 HB VAL A 72 8.376 11.744 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.540 12.675 4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.226 11.483 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.757 11.033 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.559 12.479 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.870 10.828 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.729 11.139 2.249 1.00 0.00 H new ATOM 1063 N VAL A 73 6.349 9.113 3.926 1.00 0.00 N ATOM 1064 CA VAL A 73 4.919 8.915 3.835 1.00 0.00 C ATOM 1065 C VAL A 73 4.207 10.208 4.174 1.00 0.00 C ATOM 1066 O VAL A 73 3.947 10.496 5.333 1.00 0.00 O ATOM 1067 CB VAL A 73 4.420 7.797 4.775 1.00 0.00 C ATOM 1068 CG1 VAL A 73 2.959 7.480 4.508 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.269 6.548 4.629 1.00 0.00 C ATOM 0 H VAL A 73 6.747 8.938 4.849 1.00 0.00 H new ATOM 0 HA VAL A 73 4.696 8.611 2.812 1.00 0.00 H new ATOM 0 HB VAL A 73 4.512 8.155 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.629 6.689 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.357 8.373 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.841 7.150 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.897 5.775 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.216 6.190 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.304 6.780 4.880 1.00 0.00 H new ATOM 1079 N GLU A 74 3.944 11.010 3.163 1.00 0.00 N ATOM 1080 CA GLU A 74 3.169 12.219 3.345 1.00 0.00 C ATOM 1081 C GLU A 74 1.725 11.915 3.030 1.00 0.00 C ATOM 1082 O GLU A 74 1.440 11.194 2.077 1.00 0.00 O ATOM 1083 CB GLU A 74 3.674 13.347 2.443 1.00 0.00 C ATOM 1084 CG GLU A 74 5.086 13.804 2.768 1.00 0.00 C ATOM 1085 CD GLU A 74 5.199 14.407 4.153 1.00 0.00 C ATOM 1086 OE1 GLU A 74 4.484 15.393 4.439 1.00 0.00 O ATOM 1087 OE2 GLU A 74 6.020 13.922 4.955 1.00 0.00 O ATOM 0 H GLU A 74 4.256 10.846 2.206 1.00 0.00 H new ATOM 0 HA GLU A 74 3.271 12.554 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.639 13.014 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.998 14.198 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.766 12.956 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.405 14.539 2.029 1.00 0.00 H new ATOM 1094 N LYS A 75 0.820 12.447 3.829 1.00 0.00 N ATOM 1095 CA LYS A 75 -0.593 12.234 3.588 1.00 0.00 C ATOM 1096 C LYS A 75 -1.000 13.023 2.354 1.00 0.00 C ATOM 1097 O LYS A 75 -1.424 14.172 2.448 1.00 0.00 O ATOM 1098 CB LYS A 75 -1.424 12.641 4.817 1.00 0.00 C ATOM 1099 CG LYS A 75 -2.887 12.200 4.770 1.00 0.00 C ATOM 1100 CD LYS A 75 -3.790 13.203 4.058 1.00 0.00 C ATOM 1101 CE LYS A 75 -4.143 14.400 4.939 1.00 0.00 C ATOM 1102 NZ LYS A 75 -2.969 15.262 5.254 1.00 0.00 N ATOM 0 H LYS A 75 1.035 13.024 4.642 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.783 11.175 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.960 12.220 5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.388 13.725 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.954 11.237 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.249 12.052 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.294 13.555 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.707 12.703 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.903 15.000 4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.583 14.041 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.297 16.214 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.438 14.849 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.351 15.326 4.420 1.00 0.00 H new ATOM 1116 N ASN A 76 -0.795 12.425 1.191 1.00 0.00 N ATOM 1117 CA ASN A 76 -1.157 13.069 -0.053 1.00 0.00 C ATOM 1118 C ASN A 76 -2.665 13.188 -0.174 1.00 0.00 C ATOM 1119 O ASN A 76 -3.411 12.297 0.232 1.00 0.00 O ATOM 1120 CB ASN A 76 -0.594 12.313 -1.262 1.00 0.00 C ATOM 1121 CG ASN A 76 0.884 12.566 -1.487 1.00 0.00 C ATOM 1122 OD1 ASN A 76 1.412 13.618 -1.125 1.00 0.00 O ATOM 1123 ND2 ASN A 76 1.557 11.615 -2.116 1.00 0.00 N ATOM 0 H ASN A 76 -0.381 11.498 1.087 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.720 14.068 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.756 11.244 -1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.146 12.605 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.549 11.740 -2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.083 10.757 -2.400 1.00 0.00 H new ATOM 1130 N PRO A 77 -3.137 14.318 -0.687 1.00 0.00 N ATOM 1131 CA PRO A 77 -4.533 14.499 -1.030 1.00 0.00 C ATOM 1132 C PRO A 77 -4.840 13.805 -2.341 1.00 0.00 C ATOM 1133 O PRO A 77 -4.249 14.112 -3.380 1.00 0.00 O ATOM 1134 CB PRO A 77 -4.696 16.019 -1.146 1.00 0.00 C ATOM 1135 CG PRO A 77 -3.364 16.612 -0.792 1.00 0.00 C ATOM 1136 CD PRO A 77 -2.352 15.517 -0.967 1.00 0.00 C ATOM 0 HA PRO A 77 -5.216 14.073 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.992 16.303 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.474 16.379 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.133 17.461 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.363 16.981 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.937 15.505 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.514 15.624 -0.278 1.00 0.00 H new ATOM 1144 N ILE A 78 -5.735 12.836 -2.264 1.00 0.00 N ATOM 1145 CA ILE A 78 -6.072 11.995 -3.384 1.00 0.00 C ATOM 1146 C ILE A 78 -6.598 12.811 -4.568 1.00 0.00 C ATOM 1147 O ILE A 78 -7.624 13.491 -4.469 1.00 0.00 O ATOM 1148 CB ILE A 78 -7.057 10.889 -2.919 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -6.503 9.532 -3.308 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -8.473 11.066 -3.460 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -6.538 9.263 -4.798 1.00 0.00 C ATOM 0 H ILE A 78 -6.249 12.614 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.170 11.505 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.143 10.968 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.473 9.456 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.072 8.757 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.106 10.257 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.874 12.022 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.451 11.045 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.126 8.274 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.568 9.305 -5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.945 10.016 -5.318 1.00 0.00 H new ATOM 1163 N VAL A 79 -5.813 12.770 -5.657 1.00 0.00 N ATOM 1164 CA VAL A 79 -6.103 13.450 -6.929 1.00 0.00 C ATOM 1165 C VAL A 79 -7.040 14.647 -6.773 1.00 0.00 C ATOM 1166 O VAL A 79 -8.202 14.614 -7.191 1.00 0.00 O ATOM 1167 CB VAL A 79 -6.645 12.474 -8.002 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -5.542 11.533 -8.460 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -7.837 11.674 -7.488 1.00 0.00 C ATOM 0 H VAL A 79 -4.936 12.249 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.144 13.837 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.986 13.070 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.935 10.851 -9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.723 12.112 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.176 10.959 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.188 11.001 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.536 11.092 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.640 12.356 -7.209 1.00 0.00 H new