USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Set 1.1: A 15 ASN : amide:sc= -0.0286 K(o=-0.029,f=-1.9) USER MOD Set 1.2: A 85 MET CE :methyl -94:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0.596 (180deg=0.498) USER MOD Single : A 2 SER OG : rot 25:sc= 0.163 USER MOD Single : A 4 THR OG1 : rot 32:sc= 0.366 USER MOD Single : A 11 SER OG : rot 14:sc= 1.22 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0194 USER MOD Single : A 21 THR OG1 : rot 146:sc= 1.11 USER MOD Single : A 24 ASN : amide:sc= 0.494 K(o=0.49,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 85:sc= 0.671 USER MOD Single : A 48 THR OG1 : rot 160:sc= 0.387 USER MOD Single : A 50 MET CE :methyl -177:sc= 0 (180deg=-0.00928) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= 0.534 (180deg=-1.92!) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 1.76 (180deg=1.66) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -171:sc= 0 (180deg=-0.175) USER MOD Single : A 72 LYS NZ :NH3+ -143:sc= 1.15 (180deg=-0.637) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 2.42 (180deg=2.38) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= 0.107 (180deg=-1.24!) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= 0.816 (180deg=0.335) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= 1.68 (180deg=1.14) USER MOD Single : A 112 LYS NZ :NH3+ 151:sc= 0.463 (180deg=-0.268!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.184 -3.279 12.484 1.00 10.04 N ATOM 2 CA GLY A 1 15.134 -2.963 13.564 1.00 10.47 C ATOM 3 C GLY A 1 14.412 -3.166 14.875 1.00 9.71 C ATOM 4 O GLY A 1 14.051 -4.291 15.183 1.00 9.67 O ATOM 0 H1 GLY A 1 14.621 -3.069 11.564 1.00 10.04 H new ATOM 0 H2 GLY A 1 13.934 -4.288 12.526 1.00 10.04 H new ATOM 0 H3 GLY A 1 13.325 -2.704 12.598 1.00 10.04 H new ATOM 0 HA2 GLY A 1 16.011 -3.608 13.505 1.00 10.47 H new ATOM 0 HA3 GLY A 1 15.488 -1.936 13.476 1.00 10.47 H new ATOM 10 N SER A 2 14.007 -2.085 15.542 1.00 9.47 N ATOM 11 CA SER A 2 12.609 -2.049 15.995 1.00 8.47 C ATOM 12 C SER A 2 11.717 -2.346 14.778 1.00 7.39 C ATOM 13 O SER A 2 11.955 -1.768 13.716 1.00 7.80 O ATOM 14 CB SER A 2 12.285 -0.649 16.542 1.00 8.82 C ATOM 15 OG SER A 2 12.644 0.342 15.591 1.00 9.53 O ATOM 0 H SER A 2 14.578 -1.272 15.771 1.00 9.47 H new ATOM 0 HA SER A 2 12.439 -2.783 16.783 1.00 8.47 H new ATOM 0 HB2 SER A 2 11.222 -0.577 16.770 1.00 8.82 H new ATOM 0 HB3 SER A 2 12.824 -0.481 17.475 1.00 8.82 H new ATOM 0 HG SER A 2 12.631 -0.048 14.692 1.00 9.53 H new ATOM 21 N PHE A 3 10.773 -3.277 14.890 1.00 6.64 N ATOM 22 CA PHE A 3 9.927 -3.718 13.780 1.00 5.92 C ATOM 23 C PHE A 3 8.491 -3.210 13.958 1.00 4.73 C ATOM 24 O PHE A 3 8.015 -3.041 15.081 1.00 5.22 O ATOM 25 CB PHE A 3 9.989 -5.252 13.678 1.00 7.05 C ATOM 26 CG PHE A 3 9.597 -5.994 14.946 1.00 7.95 C ATOM 27 CD1 PHE A 3 8.250 -6.316 15.191 1.00 8.06 C ATOM 28 CD2 PHE A 3 10.582 -6.348 15.888 1.00 9.25 C ATOM 29 CE1 PHE A 3 7.887 -6.978 16.376 1.00 9.34 C ATOM 30 CE2 PHE A 3 10.218 -7.010 17.074 1.00 10.46 C ATOM 31 CZ PHE A 3 8.871 -7.325 17.319 1.00 10.46 C ATOM 0 H PHE A 3 10.570 -3.755 15.768 1.00 6.64 H new ATOM 0 HA PHE A 3 10.295 -3.296 12.845 1.00 5.92 H new ATOM 0 HB2 PHE A 3 9.334 -5.575 12.868 1.00 7.05 H new ATOM 0 HB3 PHE A 3 11.003 -5.543 13.403 1.00 7.05 H new ATOM 0 HD1 PHE A 3 7.493 -6.054 14.467 1.00 8.06 H new ATOM 0 HD2 PHE A 3 11.619 -6.111 15.699 1.00 9.25 H new ATOM 0 HE1 PHE A 3 6.851 -7.221 16.563 1.00 9.34 H new ATOM 0 HE2 PHE A 3 10.975 -7.277 17.797 1.00 10.46 H new ATOM 0 HZ PHE A 3 8.592 -7.833 18.230 1.00 10.46 H new ATOM 41 N THR A 4 7.810 -2.986 12.831 1.00 3.87 N ATOM 42 CA THR A 4 6.433 -2.481 12.746 1.00 3.36 C ATOM 43 C THR A 4 5.779 -3.093 11.521 1.00 2.28 C ATOM 44 O THR A 4 6.308 -2.933 10.423 1.00 2.92 O ATOM 45 CB THR A 4 6.389 -0.951 12.624 1.00 4.62 C ATOM 46 OG1 THR A 4 7.294 -0.544 11.624 1.00 5.34 O ATOM 47 CG2 THR A 4 6.765 -0.233 13.919 1.00 6.03 C ATOM 0 H THR A 4 8.219 -3.158 11.913 1.00 3.87 H new ATOM 0 HA THR A 4 5.906 -2.756 13.660 1.00 3.36 H new ATOM 0 HB THR A 4 5.361 -0.685 12.380 1.00 4.62 H new ATOM 0 HG1 THR A 4 7.352 -1.237 10.934 1.00 5.34 H new ATOM 0 HG21 THR A 4 6.714 0.845 13.765 1.00 6.03 H new ATOM 0 HG22 THR A 4 6.071 -0.520 14.709 1.00 6.03 H new ATOM 0 HG23 THR A 4 7.779 -0.511 14.208 1.00 6.03 H new ATOM 55 N GLU A 5 4.651 -3.770 11.708 1.00 2.07 N ATOM 56 CA GLU A 5 3.838 -4.291 10.608 1.00 2.14 C ATOM 57 C GLU A 5 2.897 -3.194 10.068 1.00 1.66 C ATOM 58 O GLU A 5 2.919 -2.048 10.529 1.00 1.92 O ATOM 59 CB GLU A 5 3.102 -5.575 11.061 1.00 3.48 C ATOM 60 CG GLU A 5 3.090 -6.630 9.941 1.00 4.89 C ATOM 61 CD GLU A 5 2.479 -7.985 10.324 1.00 6.47 C ATOM 62 OE1 GLU A 5 1.947 -8.103 11.448 1.00 6.72 O ATOM 63 OE2 GLU A 5 2.550 -8.905 9.469 1.00 7.86 O ATOM 0 H GLU A 5 4.270 -3.975 12.632 1.00 2.07 H new ATOM 0 HA GLU A 5 4.476 -4.577 9.772 1.00 2.14 H new ATOM 0 HB2 GLU A 5 3.590 -5.985 11.946 1.00 3.48 H new ATOM 0 HB3 GLU A 5 2.079 -5.330 11.346 1.00 3.48 H new ATOM 0 HG2 GLU A 5 2.538 -6.228 9.091 1.00 4.89 H new ATOM 0 HG3 GLU A 5 4.115 -6.793 9.607 1.00 4.89 H new ATOM 70 N GLY A 6 2.097 -3.515 9.050 1.00 1.44 N ATOM 71 CA GLY A 6 1.107 -2.618 8.438 1.00 1.11 C ATOM 72 C GLY A 6 -0.327 -3.071 8.689 1.00 0.98 C ATOM 73 O GLY A 6 -0.558 -4.043 9.403 1.00 1.12 O ATOM 0 H GLY A 6 2.119 -4.436 8.612 1.00 1.44 H new ATOM 0 HA2 GLY A 6 1.241 -1.611 8.833 1.00 1.11 H new ATOM 0 HA3 GLY A 6 1.285 -2.565 7.364 1.00 1.11 H new ATOM 77 N TRP A 7 -1.299 -2.373 8.091 1.00 0.83 N ATOM 78 CA TRP A 7 -2.724 -2.716 8.217 1.00 0.75 C ATOM 79 C TRP A 7 -3.530 -2.526 6.921 1.00 0.66 C ATOM 80 O TRP A 7 -3.031 -2.037 5.907 1.00 0.85 O ATOM 81 CB TRP A 7 -3.346 -1.930 9.391 1.00 0.90 C ATOM 82 CG TRP A 7 -3.692 -0.489 9.128 1.00 0.83 C ATOM 83 CD1 TRP A 7 -4.949 0.006 9.142 1.00 1.01 C ATOM 84 CD2 TRP A 7 -2.823 0.659 8.865 1.00 1.07 C ATOM 85 NE1 TRP A 7 -4.929 1.355 8.866 1.00 1.11 N ATOM 86 CE2 TRP A 7 -3.643 1.819 8.699 1.00 1.25 C ATOM 87 CE3 TRP A 7 -1.427 0.861 8.786 1.00 1.46 C ATOM 88 CZ2 TRP A 7 -3.111 3.100 8.473 1.00 1.74 C ATOM 89 CZ3 TRP A 7 -0.883 2.135 8.538 1.00 1.98 C ATOM 90 CH2 TRP A 7 -1.716 3.254 8.392 1.00 2.10 C ATOM 0 H TRP A 7 -1.123 -1.556 7.507 1.00 0.83 H new ATOM 0 HA TRP A 7 -2.775 -3.785 8.424 1.00 0.75 H new ATOM 0 HB2 TRP A 7 -4.253 -2.447 9.704 1.00 0.90 H new ATOM 0 HB3 TRP A 7 -2.652 -1.966 10.231 1.00 0.90 H new ATOM 0 HD1 TRP A 7 -5.839 -0.572 9.341 1.00 1.01 H new ATOM 0 HE1 TRP A 7 -5.763 1.938 8.794 1.00 1.11 H new ATOM 0 HE3 TRP A 7 -0.763 0.020 8.919 1.00 1.46 H new ATOM 0 HZ2 TRP A 7 -3.764 3.953 8.363 1.00 1.74 H new ATOM 0 HZ3 TRP A 7 0.188 2.252 8.459 1.00 1.98 H new ATOM 0 HH2 TRP A 7 -1.287 4.230 8.218 1.00 2.10 H new ATOM 101 N VAL A 8 -4.804 -2.917 6.962 1.00 0.76 N ATOM 102 CA VAL A 8 -5.861 -2.526 6.027 1.00 1.01 C ATOM 103 C VAL A 8 -6.829 -1.652 6.821 1.00 1.38 C ATOM 104 O VAL A 8 -7.330 -2.061 7.870 1.00 1.35 O ATOM 105 CB VAL A 8 -6.597 -3.763 5.461 1.00 1.20 C ATOM 106 CG1 VAL A 8 -7.873 -3.404 4.686 1.00 1.81 C ATOM 107 CG2 VAL A 8 -5.687 -4.580 4.531 1.00 1.17 C ATOM 0 H VAL A 8 -5.145 -3.549 7.687 1.00 0.76 H new ATOM 0 HA VAL A 8 -5.443 -1.993 5.173 1.00 1.01 H new ATOM 0 HB VAL A 8 -6.875 -4.352 6.335 1.00 1.20 H new ATOM 0 HG11 VAL A 8 -8.342 -4.315 4.315 1.00 1.81 H new ATOM 0 HG12 VAL A 8 -8.565 -2.883 5.347 1.00 1.81 H new ATOM 0 HG13 VAL A 8 -7.619 -2.759 3.845 1.00 1.81 H new ATOM 0 HG21 VAL A 8 -6.235 -5.442 4.151 1.00 1.17 H new ATOM 0 HG22 VAL A 8 -5.366 -3.957 3.696 1.00 1.17 H new ATOM 0 HG23 VAL A 8 -4.813 -4.922 5.085 1.00 1.17 H new ATOM 117 N ARG A 9 -7.104 -0.450 6.319 1.00 1.82 N ATOM 118 CA ARG A 9 -8.151 0.408 6.871 1.00 2.09 C ATOM 119 C ARG A 9 -9.477 0.042 6.198 1.00 1.78 C ATOM 120 O ARG A 9 -9.535 -0.036 4.972 1.00 2.09 O ATOM 121 CB ARG A 9 -7.800 1.883 6.644 1.00 2.90 C ATOM 122 CG ARG A 9 -8.385 2.776 7.741 1.00 3.73 C ATOM 123 CD ARG A 9 -8.571 4.206 7.223 1.00 4.12 C ATOM 124 NE ARG A 9 -9.763 4.293 6.358 1.00 3.05 N ATOM 125 CZ ARG A 9 -11.015 4.393 6.793 1.00 3.85 C ATOM 126 NH1 ARG A 9 -11.321 4.403 8.074 1.00 5.51 N ATOM 127 NH2 ARG A 9 -11.998 4.485 5.921 1.00 3.76 N ATOM 0 H ARG A 9 -6.611 -0.045 5.523 1.00 1.82 H new ATOM 0 HA ARG A 9 -8.239 0.256 7.947 1.00 2.09 H new ATOM 0 HB2 ARG A 9 -6.717 2.000 6.618 1.00 2.90 H new ATOM 0 HB3 ARG A 9 -8.179 2.203 5.673 1.00 2.90 H new ATOM 0 HG2 ARG A 9 -9.343 2.375 8.073 1.00 3.73 H new ATOM 0 HG3 ARG A 9 -7.724 2.779 8.607 1.00 3.73 H new ATOM 0 HD2 ARG A 9 -8.674 4.893 8.063 1.00 4.12 H new ATOM 0 HD3 ARG A 9 -7.687 4.515 6.665 1.00 4.12 H new ATOM 0 HE ARG A 9 -9.615 4.275 5.349 1.00 3.05 H new ATOM 0 HH11 ARG A 9 -10.584 4.332 8.775 1.00 5.51 H new ATOM 0 HH12 ARG A 9 -12.295 4.481 8.365 1.00 5.51 H new ATOM 0 HH21 ARG A 9 -11.795 4.479 4.921 1.00 3.76 H new ATOM 0 HH22 ARG A 9 -12.962 4.562 6.245 1.00 3.76 H new ATOM 141 N PHE A 10 -10.543 -0.155 6.972 1.00 1.92 N ATOM 142 CA PHE A 10 -11.834 -0.597 6.454 1.00 1.66 C ATOM 143 C PHE A 10 -12.356 0.369 5.384 1.00 1.98 C ATOM 144 O PHE A 10 -12.654 1.527 5.676 1.00 2.36 O ATOM 145 CB PHE A 10 -12.861 -0.740 7.594 1.00 1.43 C ATOM 146 CG PHE A 10 -14.259 -0.992 7.060 1.00 1.13 C ATOM 147 CD1 PHE A 10 -14.659 -2.293 6.717 1.00 1.36 C ATOM 148 CD2 PHE A 10 -15.079 0.100 6.719 1.00 2.01 C ATOM 149 CE1 PHE A 10 -15.875 -2.502 6.037 1.00 1.80 C ATOM 150 CE2 PHE A 10 -16.238 -0.100 5.953 1.00 2.11 C ATOM 151 CZ PHE A 10 -16.661 -1.404 5.645 1.00 1.75 C ATOM 0 H PHE A 10 -10.534 -0.011 7.982 1.00 1.92 H new ATOM 0 HA PHE A 10 -11.692 -1.574 5.993 1.00 1.66 H new ATOM 0 HB2 PHE A 10 -12.567 -1.561 8.248 1.00 1.43 H new ATOM 0 HB3 PHE A 10 -12.861 0.166 8.200 1.00 1.43 H new ATOM 0 HD1 PHE A 10 -14.034 -3.135 6.975 1.00 1.36 H new ATOM 0 HD2 PHE A 10 -14.816 1.095 7.048 1.00 2.01 H new ATOM 0 HE1 PHE A 10 -16.204 -3.507 5.817 1.00 1.80 H new ATOM 0 HE2 PHE A 10 -16.805 0.749 5.600 1.00 2.11 H new ATOM 0 HZ PHE A 10 -17.586 -1.562 5.110 1.00 1.75 H new ATOM 161 N SER A 11 -12.518 -0.127 4.160 1.00 2.24 N ATOM 162 CA SER A 11 -13.222 0.454 3.024 1.00 2.55 C ATOM 163 C SER A 11 -13.214 -0.603 1.898 1.00 3.41 C ATOM 164 O SER A 11 -12.132 -0.848 1.360 1.00 4.62 O ATOM 165 CB SER A 11 -12.464 1.696 2.542 1.00 3.47 C ATOM 166 OG SER A 11 -12.658 2.795 3.413 1.00 4.45 O ATOM 0 H SER A 11 -12.120 -1.034 3.917 1.00 2.24 H new ATOM 0 HA SER A 11 -14.239 0.736 3.297 1.00 2.55 H new ATOM 0 HB2 SER A 11 -11.400 1.469 2.472 1.00 3.47 H new ATOM 0 HB3 SER A 11 -12.800 1.962 1.540 1.00 3.47 H new ATOM 0 HG SER A 11 -13.057 2.481 4.251 1.00 4.45 H new ATOM 172 N PRO A 12 -14.343 -1.281 1.599 1.00 3.18 N ATOM 173 CA PRO A 12 -14.430 -2.353 0.609 1.00 4.24 C ATOM 174 C PRO A 12 -14.859 -1.764 -0.753 1.00 4.13 C ATOM 175 O PRO A 12 -14.224 -0.835 -1.240 1.00 6.06 O ATOM 176 CB PRO A 12 -15.421 -3.347 1.236 1.00 4.54 C ATOM 177 CG PRO A 12 -16.442 -2.418 1.892 1.00 3.40 C ATOM 178 CD PRO A 12 -15.558 -1.277 2.401 1.00 2.44 C ATOM 0 HA PRO A 12 -13.492 -2.862 0.388 1.00 4.24 H new ATOM 0 HB2 PRO A 12 -15.880 -3.991 0.486 1.00 4.54 H new ATOM 0 HB3 PRO A 12 -14.938 -3.999 1.964 1.00 4.54 H new ATOM 0 HG2 PRO A 12 -17.190 -2.068 1.181 1.00 3.40 H new ATOM 0 HG3 PRO A 12 -16.979 -2.910 2.703 1.00 3.40 H new ATOM 0 HD2 PRO A 12 -16.074 -0.321 2.312 1.00 2.44 H new ATOM 0 HD3 PRO A 12 -15.322 -1.415 3.456 1.00 2.44 H new ATOM 186 N GLY A 13 -15.931 -2.277 -1.371 1.00 2.27 N ATOM 187 CA GLY A 13 -16.455 -1.780 -2.651 1.00 2.06 C ATOM 188 C GLY A 13 -15.744 -2.391 -3.876 1.00 2.35 C ATOM 189 O GLY A 13 -15.248 -3.513 -3.789 1.00 2.58 O ATOM 0 H GLY A 13 -16.466 -3.059 -0.992 1.00 2.27 H new ATOM 0 HA2 GLY A 13 -17.521 -2.000 -2.710 1.00 2.06 H new ATOM 0 HA3 GLY A 13 -16.351 -0.695 -2.682 1.00 2.06 H new ATOM 193 N PRO A 14 -15.741 -1.710 -5.041 1.00 2.68 N ATOM 194 CA PRO A 14 -15.108 -2.221 -6.261 1.00 3.13 C ATOM 195 C PRO A 14 -13.575 -2.192 -6.172 1.00 2.72 C ATOM 196 O PRO A 14 -12.910 -3.064 -6.735 1.00 2.80 O ATOM 197 CB PRO A 14 -15.638 -1.329 -7.390 1.00 3.71 C ATOM 198 CG PRO A 14 -15.962 -0.006 -6.697 1.00 3.50 C ATOM 199 CD PRO A 14 -16.393 -0.433 -5.293 1.00 2.98 C ATOM 0 HA PRO A 14 -15.352 -3.270 -6.431 1.00 3.13 H new ATOM 0 HB2 PRO A 14 -14.894 -1.196 -8.176 1.00 3.71 H new ATOM 0 HB3 PRO A 14 -16.522 -1.761 -7.858 1.00 3.71 H new ATOM 0 HG2 PRO A 14 -15.095 0.654 -6.667 1.00 3.50 H new ATOM 0 HG3 PRO A 14 -16.756 0.534 -7.214 1.00 3.50 H new ATOM 0 HD2 PRO A 14 -16.096 0.309 -4.552 1.00 2.98 H new ATOM 0 HD3 PRO A 14 -17.477 -0.530 -5.231 1.00 2.98 H new ATOM 207 N ASN A 15 -13.018 -1.222 -5.436 1.00 2.34 N ATOM 208 CA ASN A 15 -11.630 -1.145 -5.049 1.00 1.84 C ATOM 209 C ASN A 15 -11.490 -0.743 -3.570 1.00 1.64 C ATOM 210 O ASN A 15 -11.961 0.315 -3.155 1.00 2.52 O ATOM 211 CB ASN A 15 -10.885 -0.170 -5.967 1.00 2.26 C ATOM 212 CG ASN A 15 -11.640 1.070 -6.461 1.00 2.94 C ATOM 213 OD1 ASN A 15 -11.443 2.172 -5.975 1.00 4.24 O ATOM 214 ND2 ASN A 15 -12.479 0.949 -7.475 1.00 2.72 N ATOM 0 H ASN A 15 -13.564 -0.436 -5.083 1.00 2.34 H new ATOM 0 HA ASN A 15 -11.180 -2.132 -5.159 1.00 1.84 H new ATOM 0 HB2 ASN A 15 -9.993 0.169 -5.441 1.00 2.26 H new ATOM 0 HB3 ASN A 15 -10.547 -0.726 -6.841 1.00 2.26 H new ATOM 0 HD21 ASN A 15 -12.955 1.772 -7.844 1.00 2.72 H new ATOM 0 HD22 ASN A 15 -12.651 0.032 -7.888 1.00 2.72 H new ATOM 221 N ALA A 16 -10.799 -1.594 -2.814 1.00 0.71 N ATOM 222 CA ALA A 16 -10.397 -1.382 -1.422 1.00 0.64 C ATOM 223 C ALA A 16 -8.985 -0.774 -1.333 1.00 0.46 C ATOM 224 O ALA A 16 -8.356 -0.546 -2.363 1.00 0.43 O ATOM 225 CB ALA A 16 -10.487 -2.733 -0.710 1.00 0.86 C ATOM 0 H ALA A 16 -10.488 -2.497 -3.173 1.00 0.71 H new ATOM 0 HA ALA A 16 -11.059 -0.664 -0.937 1.00 0.64 H new ATOM 0 HB1 ALA A 16 -10.194 -2.615 0.333 1.00 0.86 H new ATOM 0 HB2 ALA A 16 -11.511 -3.103 -0.760 1.00 0.86 H new ATOM 0 HB3 ALA A 16 -9.820 -3.445 -1.196 1.00 0.86 H new ATOM 231 N ALA A 17 -8.453 -0.533 -0.135 1.00 0.60 N ATOM 232 CA ALA A 17 -7.142 0.103 0.060 1.00 0.63 C ATOM 233 C ALA A 17 -6.384 -0.536 1.249 1.00 0.71 C ATOM 234 O ALA A 17 -6.956 -0.755 2.318 1.00 0.78 O ATOM 235 CB ALA A 17 -7.407 1.594 0.265 1.00 0.80 C ATOM 0 H ALA A 17 -8.921 -0.775 0.738 1.00 0.60 H new ATOM 0 HA ALA A 17 -6.495 -0.043 -0.805 1.00 0.63 H new ATOM 0 HB1 ALA A 17 -6.461 2.114 0.415 1.00 0.80 H new ATOM 0 HB2 ALA A 17 -7.908 1.999 -0.614 1.00 0.80 H new ATOM 0 HB3 ALA A 17 -8.041 1.734 1.141 1.00 0.80 H new ATOM 241 N ALA A 18 -5.088 -0.801 1.061 1.00 0.77 N ATOM 242 CA ALA A 18 -4.201 -1.466 2.019 1.00 0.80 C ATOM 243 C ALA A 18 -2.878 -0.707 2.203 1.00 0.79 C ATOM 244 O ALA A 18 -2.336 -0.097 1.277 1.00 0.81 O ATOM 245 CB ALA A 18 -3.923 -2.892 1.540 1.00 0.90 C ATOM 0 H ALA A 18 -4.607 -0.546 0.198 1.00 0.77 H new ATOM 0 HA ALA A 18 -4.701 -1.484 2.987 1.00 0.80 H new ATOM 0 HB1 ALA A 18 -3.263 -3.392 2.249 1.00 0.90 H new ATOM 0 HB2 ALA A 18 -4.862 -3.441 1.468 1.00 0.90 H new ATOM 0 HB3 ALA A 18 -3.446 -2.860 0.561 1.00 0.90 H new ATOM 251 N TYR A 19 -2.357 -0.761 3.429 1.00 0.85 N ATOM 252 CA TYR A 19 -1.416 0.228 3.970 1.00 0.78 C ATOM 253 C TYR A 19 -0.257 -0.447 4.712 1.00 0.67 C ATOM 254 O TYR A 19 -0.103 -0.334 5.930 1.00 1.10 O ATOM 255 CB TYR A 19 -2.180 1.213 4.878 1.00 0.93 C ATOM 256 CG TYR A 19 -3.449 1.772 4.269 1.00 1.32 C ATOM 257 CD1 TYR A 19 -3.401 2.867 3.387 1.00 1.62 C ATOM 258 CD2 TYR A 19 -4.678 1.150 4.554 1.00 2.93 C ATOM 259 CE1 TYR A 19 -4.594 3.381 2.843 1.00 1.89 C ATOM 260 CE2 TYR A 19 -5.866 1.643 3.988 1.00 3.39 C ATOM 261 CZ TYR A 19 -5.831 2.802 3.186 1.00 2.33 C ATOM 262 OH TYR A 19 -6.994 3.359 2.759 1.00 2.84 O ATOM 0 H TYR A 19 -2.580 -1.506 4.089 1.00 0.85 H new ATOM 0 HA TYR A 19 -0.971 0.784 3.145 1.00 0.78 H new ATOM 0 HB2 TYR A 19 -2.431 0.708 5.811 1.00 0.93 H new ATOM 0 HB3 TYR A 19 -1.518 2.041 5.132 1.00 0.93 H new ATOM 0 HD1 TYR A 19 -2.452 3.312 3.128 1.00 1.62 H new ATOM 0 HD2 TYR A 19 -4.709 0.292 5.209 1.00 2.93 H new ATOM 0 HE1 TYR A 19 -4.560 4.219 2.163 1.00 1.89 H new ATOM 0 HE2 TYR A 19 -6.803 1.136 4.167 1.00 3.39 H new ATOM 0 HH TYR A 19 -7.750 2.829 3.087 1.00 2.84 H new ATOM 272 N LEU A 20 0.526 -1.233 3.963 1.00 1.29 N ATOM 273 CA LEU A 20 1.594 -2.063 4.518 1.00 1.26 C ATOM 274 C LEU A 20 2.766 -1.239 5.080 1.00 1.10 C ATOM 275 O LEU A 20 2.956 -0.076 4.714 1.00 1.08 O ATOM 276 CB LEU A 20 2.005 -3.142 3.495 1.00 1.28 C ATOM 277 CG LEU A 20 2.832 -2.643 2.294 1.00 1.10 C ATOM 278 CD1 LEU A 20 4.327 -2.506 2.621 1.00 1.79 C ATOM 279 CD2 LEU A 20 2.665 -3.612 1.120 1.00 1.69 C ATOM 0 H LEU A 20 0.433 -1.309 2.950 1.00 1.29 H new ATOM 0 HA LEU A 20 1.209 -2.585 5.394 1.00 1.26 H new ATOM 0 HB2 LEU A 20 2.579 -3.909 4.014 1.00 1.28 H new ATOM 0 HB3 LEU A 20 1.102 -3.621 3.117 1.00 1.28 H new ATOM 0 HG LEU A 20 2.458 -1.652 2.036 1.00 1.10 H new ATOM 0 HD11 LEU A 20 4.861 -2.151 1.740 1.00 1.79 H new ATOM 0 HD12 LEU A 20 4.457 -1.794 3.436 1.00 1.79 H new ATOM 0 HD13 LEU A 20 4.724 -3.476 2.920 1.00 1.79 H new ATOM 0 HD21 LEU A 20 3.250 -3.259 0.271 1.00 1.69 H new ATOM 0 HD22 LEU A 20 3.013 -4.602 1.413 1.00 1.69 H new ATOM 0 HD23 LEU A 20 1.613 -3.665 0.839 1.00 1.69 H new ATOM 291 N THR A 21 3.580 -1.900 5.905 1.00 1.22 N ATOM 292 CA THR A 21 4.859 -1.407 6.424 1.00 1.23 C ATOM 293 C THR A 21 5.920 -2.445 6.092 1.00 1.44 C ATOM 294 O THR A 21 5.612 -3.636 6.108 1.00 1.69 O ATOM 295 CB THR A 21 4.794 -1.208 7.944 1.00 1.51 C ATOM 296 OG1 THR A 21 3.586 -0.582 8.309 1.00 2.27 O ATOM 297 CG2 THR A 21 5.931 -0.324 8.453 1.00 1.88 C ATOM 0 H THR A 21 3.357 -2.835 6.245 1.00 1.22 H new ATOM 0 HA THR A 21 5.094 -0.444 5.971 1.00 1.23 H new ATOM 0 HB THR A 21 4.873 -2.201 8.387 1.00 1.51 H new ATOM 0 HG1 THR A 21 3.288 -0.927 9.176 1.00 2.27 H new ATOM 0 HG21 THR A 21 5.847 -0.209 9.534 1.00 1.88 H new ATOM 0 HG22 THR A 21 6.888 -0.786 8.211 1.00 1.88 H new ATOM 0 HG23 THR A 21 5.871 0.655 7.978 1.00 1.88 H new ATOM 305 N LEU A 22 7.148 -2.002 5.810 1.00 1.62 N ATOM 306 CA LEU A 22 8.320 -2.860 5.571 1.00 2.09 C ATOM 307 C LEU A 22 9.611 -2.098 5.904 1.00 1.54 C ATOM 308 O LEU A 22 9.612 -0.865 5.923 1.00 1.39 O ATOM 309 CB LEU A 22 8.346 -3.325 4.091 1.00 2.80 C ATOM 310 CG LEU A 22 8.438 -4.833 3.801 1.00 3.87 C ATOM 311 CD1 LEU A 22 9.613 -5.527 4.500 1.00 4.12 C ATOM 312 CD2 LEU A 22 7.136 -5.545 4.150 1.00 4.63 C ATOM 0 H LEU A 22 7.364 -1.008 5.739 1.00 1.62 H new ATOM 0 HA LEU A 22 8.251 -3.736 6.217 1.00 2.09 H new ATOM 0 HB2 LEU A 22 7.444 -2.948 3.608 1.00 2.80 H new ATOM 0 HB3 LEU A 22 9.193 -2.841 3.605 1.00 2.80 H new ATOM 0 HG LEU A 22 8.619 -4.907 2.729 1.00 3.87 H new ATOM 0 HD11 LEU A 22 9.612 -6.587 4.248 1.00 4.12 H new ATOM 0 HD12 LEU A 22 10.550 -5.077 4.171 1.00 4.12 H new ATOM 0 HD13 LEU A 22 9.514 -5.411 5.579 1.00 4.12 H new ATOM 0 HD21 LEU A 22 7.234 -6.609 3.934 1.00 4.63 H new ATOM 0 HD22 LEU A 22 6.919 -5.409 5.210 1.00 4.63 H new ATOM 0 HD23 LEU A 22 6.323 -5.127 3.557 1.00 4.63 H new ATOM 324 N GLU A 23 10.733 -2.804 6.047 1.00 1.42 N ATOM 325 CA GLU A 23 12.076 -2.219 6.123 1.00 1.11 C ATOM 326 C GLU A 23 13.013 -2.886 5.109 1.00 1.06 C ATOM 327 O GLU A 23 12.806 -4.034 4.723 1.00 1.34 O ATOM 328 CB GLU A 23 12.632 -2.272 7.559 1.00 1.66 C ATOM 329 CG GLU A 23 12.905 -3.684 8.097 1.00 2.30 C ATOM 330 CD GLU A 23 13.358 -3.628 9.555 1.00 2.90 C ATOM 331 OE1 GLU A 23 14.573 -3.472 9.821 1.00 3.96 O ATOM 332 OE2 GLU A 23 12.500 -3.705 10.462 1.00 3.08 O ATOM 0 H GLU A 23 10.736 -3.822 6.115 1.00 1.42 H new ATOM 0 HA GLU A 23 12.008 -1.164 5.857 1.00 1.11 H new ATOM 0 HB2 GLU A 23 13.559 -1.700 7.595 1.00 1.66 H new ATOM 0 HB3 GLU A 23 11.926 -1.776 8.225 1.00 1.66 H new ATOM 0 HG2 GLU A 23 12.003 -4.291 8.014 1.00 2.30 H new ATOM 0 HG3 GLU A 23 13.671 -4.168 7.491 1.00 2.30 H new ATOM 339 N ASN A 24 14.057 -2.166 4.696 1.00 0.88 N ATOM 340 CA ASN A 24 15.149 -2.685 3.882 1.00 0.85 C ATOM 341 C ASN A 24 16.366 -2.963 4.784 1.00 0.94 C ATOM 342 O ASN A 24 17.129 -2.038 5.077 1.00 1.02 O ATOM 343 CB ASN A 24 15.477 -1.652 2.797 1.00 0.82 C ATOM 344 CG ASN A 24 16.477 -2.190 1.783 1.00 0.85 C ATOM 345 OD1 ASN A 24 16.860 -3.353 1.792 1.00 1.36 O ATOM 346 ND2 ASN A 24 16.914 -1.346 0.874 1.00 0.90 N ATOM 0 H ASN A 24 14.166 -1.178 4.927 1.00 0.88 H new ATOM 0 HA ASN A 24 14.868 -3.622 3.400 1.00 0.85 H new ATOM 0 HB2 ASN A 24 14.560 -1.362 2.284 1.00 0.82 H new ATOM 0 HB3 ASN A 24 15.880 -0.753 3.262 1.00 0.82 H new ATOM 0 HD21 ASN A 24 17.579 -1.658 0.166 1.00 0.90 H new ATOM 0 HD22 ASN A 24 16.588 -0.380 0.877 1.00 0.90 H new ATOM 353 N PRO A 25 16.559 -4.202 5.268 1.00 1.09 N ATOM 354 CA PRO A 25 17.665 -4.522 6.162 1.00 1.30 C ATOM 355 C PRO A 25 19.019 -4.604 5.446 1.00 1.35 C ATOM 356 O PRO A 25 20.047 -4.495 6.112 1.00 1.67 O ATOM 357 CB PRO A 25 17.283 -5.870 6.786 1.00 1.48 C ATOM 358 CG PRO A 25 16.448 -6.527 5.687 1.00 1.43 C ATOM 359 CD PRO A 25 15.677 -5.350 5.112 1.00 1.20 C ATOM 0 HA PRO A 25 17.803 -3.736 6.904 1.00 1.30 H new ATOM 0 HB2 PRO A 25 18.162 -6.464 7.036 1.00 1.48 H new ATOM 0 HB3 PRO A 25 16.713 -5.743 7.706 1.00 1.48 H new ATOM 0 HG2 PRO A 25 17.073 -7.009 4.935 1.00 1.43 H new ATOM 0 HG3 PRO A 25 15.782 -7.292 6.086 1.00 1.43 H new ATOM 0 HD2 PRO A 25 15.429 -5.516 4.064 1.00 1.20 H new ATOM 0 HD3 PRO A 25 14.737 -5.199 5.642 1.00 1.20 H new ATOM 367 N GLY A 26 19.043 -4.775 4.118 1.00 1.14 N ATOM 368 CA GLY A 26 20.266 -4.870 3.334 1.00 1.24 C ATOM 369 C GLY A 26 20.861 -3.505 3.017 1.00 1.21 C ATOM 370 O GLY A 26 20.400 -2.462 3.480 1.00 1.46 O ATOM 0 H GLY A 26 18.196 -4.852 3.556 1.00 1.14 H new ATOM 0 HA2 GLY A 26 20.999 -5.465 3.880 1.00 1.24 H new ATOM 0 HA3 GLY A 26 20.057 -5.397 2.403 1.00 1.24 H new ATOM 374 N ASP A 27 21.944 -3.547 2.250 1.00 1.29 N ATOM 375 CA ASP A 27 22.830 -2.430 1.936 1.00 1.67 C ATOM 376 C ASP A 27 22.766 -2.030 0.449 1.00 1.44 C ATOM 377 O ASP A 27 23.419 -1.092 -0.002 1.00 1.68 O ATOM 378 CB ASP A 27 24.210 -2.868 2.409 1.00 2.25 C ATOM 379 CG ASP A 27 24.253 -2.764 3.937 1.00 2.93 C ATOM 380 OD1 ASP A 27 24.308 -1.624 4.449 1.00 4.17 O ATOM 381 OD2 ASP A 27 23.980 -3.781 4.614 1.00 2.86 O ATOM 0 H ASP A 27 22.246 -4.413 1.804 1.00 1.29 H new ATOM 0 HA ASP A 27 22.532 -1.513 2.444 1.00 1.67 H new ATOM 0 HB2 ASP A 27 24.412 -3.891 2.093 1.00 2.25 H new ATOM 0 HB3 ASP A 27 24.981 -2.239 1.964 1.00 2.25 H new ATOM 386 N LEU A 28 21.887 -2.712 -0.285 1.00 1.07 N ATOM 387 CA LEU A 28 21.384 -2.345 -1.607 1.00 0.94 C ATOM 388 C LEU A 28 20.009 -1.659 -1.483 1.00 0.90 C ATOM 389 O LEU A 28 19.319 -1.886 -0.487 1.00 0.99 O ATOM 390 CB LEU A 28 21.378 -3.604 -2.493 1.00 1.05 C ATOM 391 CG LEU A 28 20.448 -4.765 -2.060 1.00 1.71 C ATOM 392 CD1 LEU A 28 18.995 -4.607 -2.544 1.00 2.33 C ATOM 393 CD2 LEU A 28 20.987 -6.086 -2.630 1.00 2.10 C ATOM 0 H LEU A 28 21.483 -3.588 0.048 1.00 1.07 H new ATOM 0 HA LEU A 28 22.032 -1.612 -2.088 1.00 0.94 H new ATOM 0 HB2 LEU A 28 21.099 -3.306 -3.504 1.00 1.05 H new ATOM 0 HB3 LEU A 28 22.397 -3.987 -2.544 1.00 1.05 H new ATOM 0 HG LEU A 28 20.440 -4.756 -0.970 1.00 1.71 H new ATOM 0 HD11 LEU A 28 18.404 -5.457 -2.203 1.00 2.33 H new ATOM 0 HD12 LEU A 28 18.575 -3.686 -2.139 1.00 2.33 H new ATOM 0 HD13 LEU A 28 18.977 -4.566 -3.633 1.00 2.33 H new ATOM 0 HD21 LEU A 28 20.335 -6.906 -2.327 1.00 2.10 H new ATOM 0 HD22 LEU A 28 21.016 -6.028 -3.718 1.00 2.10 H new ATOM 0 HD23 LEU A 28 21.993 -6.263 -2.249 1.00 2.10 H new ATOM 405 N PRO A 29 19.576 -0.844 -2.464 1.00 0.85 N ATOM 406 CA PRO A 29 18.290 -0.154 -2.422 1.00 0.83 C ATOM 407 C PRO A 29 17.152 -1.073 -2.888 1.00 0.80 C ATOM 408 O PRO A 29 17.348 -1.929 -3.753 1.00 0.84 O ATOM 409 CB PRO A 29 18.464 1.055 -3.345 1.00 0.84 C ATOM 410 CG PRO A 29 19.445 0.550 -4.403 1.00 0.87 C ATOM 411 CD PRO A 29 20.310 -0.479 -3.668 1.00 0.89 C ATOM 0 HA PRO A 29 18.016 0.150 -1.412 1.00 0.83 H new ATOM 0 HB2 PRO A 29 17.517 1.362 -3.788 1.00 0.84 H new ATOM 0 HB3 PRO A 29 18.860 1.917 -2.808 1.00 0.84 H new ATOM 0 HG2 PRO A 29 18.921 0.098 -5.246 1.00 0.87 H new ATOM 0 HG3 PRO A 29 20.050 1.364 -4.803 1.00 0.87 H new ATOM 0 HD2 PRO A 29 20.490 -1.353 -4.294 1.00 0.89 H new ATOM 0 HD3 PRO A 29 21.284 -0.060 -3.417 1.00 0.89 H new ATOM 419 N LEU A 30 15.949 -0.872 -2.333 1.00 0.79 N ATOM 420 CA LEU A 30 14.729 -1.524 -2.803 1.00 0.76 C ATOM 421 C LEU A 30 13.868 -0.584 -3.634 1.00 0.70 C ATOM 422 O LEU A 30 13.695 0.594 -3.339 1.00 0.75 O ATOM 423 CB LEU A 30 13.885 -2.078 -1.642 1.00 0.81 C ATOM 424 CG LEU A 30 14.467 -3.361 -1.039 1.00 0.88 C ATOM 425 CD1 LEU A 30 13.725 -3.719 0.257 1.00 1.94 C ATOM 426 CD2 LEU A 30 14.397 -4.579 -1.971 1.00 1.35 C ATOM 0 H LEU A 30 15.799 -0.248 -1.541 1.00 0.79 H new ATOM 0 HA LEU A 30 15.058 -2.354 -3.428 1.00 0.76 H new ATOM 0 HB2 LEU A 30 13.806 -1.320 -0.863 1.00 0.81 H new ATOM 0 HB3 LEU A 30 12.874 -2.276 -1.997 1.00 0.81 H new ATOM 0 HG LEU A 30 15.519 -3.142 -0.858 1.00 0.88 H new ATOM 0 HD11 LEU A 30 14.146 -4.632 0.677 1.00 1.94 H new ATOM 0 HD12 LEU A 30 13.833 -2.906 0.975 1.00 1.94 H new ATOM 0 HD13 LEU A 30 12.668 -3.873 0.040 1.00 1.94 H new ATOM 0 HD21 LEU A 30 14.829 -5.446 -1.470 1.00 1.35 H new ATOM 0 HD22 LEU A 30 13.357 -4.786 -2.222 1.00 1.35 H new ATOM 0 HD23 LEU A 30 14.956 -4.371 -2.884 1.00 1.35 H new ATOM 438 N ARG A 31 13.229 -1.223 -4.603 1.00 0.63 N ATOM 439 CA ARG A 31 12.270 -0.633 -5.543 1.00 0.56 C ATOM 440 C ARG A 31 11.009 -1.487 -5.565 1.00 0.51 C ATOM 441 O ARG A 31 11.061 -2.622 -6.044 1.00 0.53 O ATOM 442 CB ARG A 31 12.901 -0.551 -6.941 1.00 0.54 C ATOM 443 CG ARG A 31 12.009 0.145 -7.988 1.00 0.66 C ATOM 444 CD ARG A 31 12.672 1.344 -8.684 1.00 0.66 C ATOM 445 NE ARG A 31 13.828 0.982 -9.534 1.00 1.34 N ATOM 446 CZ ARG A 31 15.099 1.321 -9.332 1.00 1.16 C ATOM 447 NH1 ARG A 31 15.529 1.821 -8.198 1.00 1.89 N ATOM 448 NH2 ARG A 31 15.978 1.155 -10.299 1.00 2.35 N ATOM 0 H ARG A 31 13.369 -2.220 -4.769 1.00 0.63 H new ATOM 0 HA ARG A 31 12.007 0.377 -5.228 1.00 0.56 H new ATOM 0 HB2 ARG A 31 13.848 -0.016 -6.871 1.00 0.54 H new ATOM 0 HB3 ARG A 31 13.130 -1.559 -7.286 1.00 0.54 H new ATOM 0 HG2 ARG A 31 11.719 -0.585 -8.744 1.00 0.66 H new ATOM 0 HG3 ARG A 31 11.093 0.482 -7.502 1.00 0.66 H new ATOM 0 HD2 ARG A 31 11.928 1.852 -9.297 1.00 0.66 H new ATOM 0 HD3 ARG A 31 13.000 2.055 -7.926 1.00 0.66 H new ATOM 0 HE ARG A 31 13.631 0.415 -10.359 1.00 1.34 H new ATOM 0 HH11 ARG A 31 14.879 1.965 -7.425 1.00 1.89 H new ATOM 0 HH12 ARG A 31 16.513 2.066 -8.089 1.00 1.89 H new ATOM 0 HH21 ARG A 31 15.683 0.769 -11.196 1.00 2.35 H new ATOM 0 HH22 ARG A 31 16.954 1.413 -10.151 1.00 2.35 H new ATOM 462 N LEU A 32 9.909 -0.977 -5.019 1.00 0.52 N ATOM 463 CA LEU A 32 8.631 -1.671 -4.825 1.00 0.48 C ATOM 464 C LEU A 32 7.717 -1.345 -6.001 1.00 0.49 C ATOM 465 O LEU A 32 7.304 -0.199 -6.139 1.00 0.51 O ATOM 466 CB LEU A 32 8.079 -1.193 -3.471 1.00 0.53 C ATOM 467 CG LEU A 32 6.709 -1.691 -2.968 1.00 0.70 C ATOM 468 CD1 LEU A 32 5.543 -0.891 -3.565 1.00 2.49 C ATOM 469 CD2 LEU A 32 6.505 -3.198 -3.168 1.00 2.19 C ATOM 0 H LEU A 32 9.879 -0.015 -4.680 1.00 0.52 H new ATOM 0 HA LEU A 32 8.726 -2.757 -4.800 1.00 0.48 H new ATOM 0 HB2 LEU A 32 8.816 -1.455 -2.712 1.00 0.53 H new ATOM 0 HB3 LEU A 32 8.033 -0.105 -3.508 1.00 0.53 H new ATOM 0 HG LEU A 32 6.714 -1.515 -1.892 1.00 0.70 H new ATOM 0 HD11 LEU A 32 4.600 -1.280 -3.180 1.00 2.49 H new ATOM 0 HD12 LEU A 32 5.643 0.159 -3.288 1.00 2.49 H new ATOM 0 HD13 LEU A 32 5.557 -0.983 -4.651 1.00 2.49 H new ATOM 0 HD21 LEU A 32 5.522 -3.485 -2.794 1.00 2.19 H new ATOM 0 HD22 LEU A 32 6.573 -3.437 -4.229 1.00 2.19 H new ATOM 0 HD23 LEU A 32 7.275 -3.745 -2.623 1.00 2.19 H new ATOM 481 N VAL A 33 7.426 -2.331 -6.844 1.00 0.53 N ATOM 482 CA VAL A 33 6.761 -2.137 -8.150 1.00 0.53 C ATOM 483 C VAL A 33 5.334 -2.718 -8.164 1.00 0.55 C ATOM 484 O VAL A 33 4.531 -2.358 -9.021 1.00 0.59 O ATOM 485 CB VAL A 33 7.589 -2.767 -9.301 1.00 0.57 C ATOM 486 CG1 VAL A 33 9.007 -2.166 -9.387 1.00 0.55 C ATOM 487 CG2 VAL A 33 7.747 -4.298 -9.199 1.00 0.62 C ATOM 0 H VAL A 33 7.645 -3.307 -6.645 1.00 0.53 H new ATOM 0 HA VAL A 33 6.693 -1.060 -8.306 1.00 0.53 H new ATOM 0 HB VAL A 33 7.010 -2.533 -10.194 1.00 0.57 H new ATOM 0 HG11 VAL A 33 9.552 -2.635 -10.206 1.00 0.55 H new ATOM 0 HG12 VAL A 33 8.937 -1.093 -9.565 1.00 0.55 H new ATOM 0 HG13 VAL A 33 9.535 -2.344 -8.450 1.00 0.55 H new ATOM 0 HG21 VAL A 33 8.338 -4.660 -10.041 1.00 0.62 H new ATOM 0 HG22 VAL A 33 8.251 -4.550 -8.266 1.00 0.62 H new ATOM 0 HG23 VAL A 33 6.763 -4.767 -9.218 1.00 0.62 H new ATOM 497 N GLY A 34 5.034 -3.659 -7.252 1.00 0.54 N ATOM 498 CA GLY A 34 3.764 -4.392 -7.198 1.00 0.56 C ATOM 499 C GLY A 34 3.473 -5.041 -5.853 1.00 0.57 C ATOM 500 O GLY A 34 4.222 -4.907 -4.886 1.00 0.57 O ATOM 0 H GLY A 34 5.685 -3.935 -6.517 1.00 0.54 H new ATOM 0 HA2 GLY A 34 2.952 -3.707 -7.441 1.00 0.56 H new ATOM 0 HA3 GLY A 34 3.771 -5.164 -7.967 1.00 0.56 H new ATOM 504 N ALA A 35 2.385 -5.804 -5.836 1.00 0.61 N ATOM 505 CA ALA A 35 1.982 -6.682 -4.744 1.00 0.62 C ATOM 506 C ALA A 35 1.252 -7.942 -5.270 1.00 0.67 C ATOM 507 O ALA A 35 1.053 -8.102 -6.476 1.00 0.71 O ATOM 508 CB ALA A 35 1.134 -5.851 -3.765 1.00 0.68 C ATOM 0 H ALA A 35 1.731 -5.828 -6.618 1.00 0.61 H new ATOM 0 HA ALA A 35 2.854 -7.066 -4.215 1.00 0.62 H new ATOM 0 HB1 ALA A 35 0.816 -6.481 -2.934 1.00 0.68 H new ATOM 0 HB2 ALA A 35 1.728 -5.020 -3.384 1.00 0.68 H new ATOM 0 HB3 ALA A 35 0.257 -5.463 -4.283 1.00 0.68 H new ATOM 514 N ARG A 36 0.816 -8.805 -4.351 1.00 0.70 N ATOM 515 CA ARG A 36 -0.160 -9.893 -4.526 1.00 0.73 C ATOM 516 C ARG A 36 -0.859 -10.119 -3.172 1.00 0.72 C ATOM 517 O ARG A 36 -0.425 -9.575 -2.163 1.00 0.73 O ATOM 518 CB ARG A 36 0.535 -11.170 -5.059 1.00 0.83 C ATOM 519 CG ARG A 36 0.149 -11.542 -6.495 1.00 1.13 C ATOM 520 CD ARG A 36 -1.295 -12.065 -6.598 1.00 2.04 C ATOM 521 NE ARG A 36 -1.760 -12.212 -7.992 1.00 2.82 N ATOM 522 CZ ARG A 36 -1.551 -13.226 -8.823 1.00 3.53 C ATOM 523 NH1 ARG A 36 -0.748 -14.231 -8.529 1.00 3.70 N ATOM 524 NH2 ARG A 36 -2.171 -13.239 -9.985 1.00 4.69 N ATOM 0 H ARG A 36 1.159 -8.762 -3.391 1.00 0.70 H new ATOM 0 HA ARG A 36 -0.910 -9.628 -5.271 1.00 0.73 H new ATOM 0 HB2 ARG A 36 1.615 -11.030 -5.010 1.00 0.83 H new ATOM 0 HB3 ARG A 36 0.291 -12.004 -4.401 1.00 0.83 H new ATOM 0 HG2 ARG A 36 0.263 -10.668 -7.137 1.00 1.13 H new ATOM 0 HG3 ARG A 36 0.835 -12.302 -6.867 1.00 1.13 H new ATOM 0 HD2 ARG A 36 -1.362 -13.030 -6.095 1.00 2.04 H new ATOM 0 HD3 ARG A 36 -1.961 -11.383 -6.069 1.00 2.04 H new ATOM 0 HE ARG A 36 -2.311 -11.438 -8.363 1.00 2.82 H new ATOM 0 HH11 ARG A 36 -0.260 -14.248 -7.634 1.00 3.70 H new ATOM 0 HH12 ARG A 36 -0.616 -14.990 -9.197 1.00 3.70 H new ATOM 0 HH21 ARG A 36 -2.801 -12.477 -10.235 1.00 4.69 H new ATOM 0 HH22 ARG A 36 -2.021 -14.011 -10.635 1.00 4.69 H new ATOM 538 N THR A 37 -1.962 -10.868 -3.127 1.00 0.72 N ATOM 539 CA THR A 37 -2.831 -11.028 -1.949 1.00 0.59 C ATOM 540 C THR A 37 -3.895 -12.078 -2.269 1.00 0.60 C ATOM 541 O THR A 37 -4.296 -12.149 -3.432 1.00 0.67 O ATOM 542 CB THR A 37 -3.453 -9.684 -1.530 1.00 0.59 C ATOM 543 OG1 THR A 37 -4.356 -9.855 -0.471 1.00 0.56 O ATOM 544 CG2 THR A 37 -4.221 -8.957 -2.637 1.00 0.76 C ATOM 0 H THR A 37 -2.290 -11.399 -3.934 1.00 0.72 H new ATOM 0 HA THR A 37 -2.242 -11.369 -1.098 1.00 0.59 H new ATOM 0 HB THR A 37 -2.591 -9.079 -1.251 1.00 0.59 H new ATOM 0 HG1 THR A 37 -3.868 -9.852 0.379 1.00 0.56 H new ATOM 0 HG21 THR A 37 -4.622 -8.021 -2.247 1.00 0.76 H new ATOM 0 HG22 THR A 37 -3.548 -8.745 -3.468 1.00 0.76 H new ATOM 0 HG23 THR A 37 -5.040 -9.586 -2.985 1.00 0.76 H new ATOM 552 N PRO A 38 -4.398 -12.856 -1.293 1.00 0.61 N ATOM 553 CA PRO A 38 -5.448 -13.847 -1.521 1.00 0.65 C ATOM 554 C PRO A 38 -6.858 -13.257 -1.632 1.00 0.67 C ATOM 555 O PRO A 38 -7.812 -13.994 -1.866 1.00 0.83 O ATOM 556 CB PRO A 38 -5.325 -14.800 -0.338 1.00 0.69 C ATOM 557 CG PRO A 38 -4.770 -13.953 0.799 1.00 0.69 C ATOM 558 CD PRO A 38 -3.904 -12.927 0.074 1.00 0.66 C ATOM 0 HA PRO A 38 -5.312 -14.338 -2.485 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -6.292 -15.228 -0.075 1.00 0.69 H new ATOM 0 HB3 PRO A 38 -4.661 -15.632 -0.570 1.00 0.69 H new ATOM 0 HG2 PRO A 38 -5.565 -13.476 1.372 1.00 0.69 H new ATOM 0 HG3 PRO A 38 -4.186 -14.551 1.499 1.00 0.69 H new ATOM 0 HD2 PRO A 38 -3.968 -11.953 0.560 1.00 0.66 H new ATOM 0 HD3 PRO A 38 -2.855 -13.224 0.092 1.00 0.66 H new ATOM 566 N VAL A 39 -6.991 -11.941 -1.441 1.00 0.60 N ATOM 567 CA VAL A 39 -8.297 -11.242 -1.388 1.00 0.65 C ATOM 568 C VAL A 39 -8.506 -10.158 -2.464 1.00 0.80 C ATOM 569 O VAL A 39 -9.299 -9.247 -2.252 1.00 1.11 O ATOM 570 CB VAL A 39 -8.633 -10.733 0.036 1.00 0.62 C ATOM 571 CG1 VAL A 39 -8.608 -11.875 1.067 1.00 0.74 C ATOM 572 CG2 VAL A 39 -7.677 -9.627 0.493 1.00 0.65 C ATOM 0 H VAL A 39 -6.193 -11.317 -1.317 1.00 0.60 H new ATOM 0 HA VAL A 39 -9.024 -12.013 -1.643 1.00 0.65 H new ATOM 0 HB VAL A 39 -9.641 -10.323 -0.022 1.00 0.62 H new ATOM 0 HG11 VAL A 39 -8.848 -11.480 2.054 1.00 0.74 H new ATOM 0 HG12 VAL A 39 -9.343 -12.631 0.790 1.00 0.74 H new ATOM 0 HG13 VAL A 39 -7.615 -12.324 1.088 1.00 0.74 H new ATOM 0 HG21 VAL A 39 -7.951 -9.301 1.496 1.00 0.65 H new ATOM 0 HG22 VAL A 39 -6.656 -10.009 0.501 1.00 0.65 H new ATOM 0 HG23 VAL A 39 -7.743 -8.783 -0.193 1.00 0.65 H new ATOM 582 N ALA A 40 -7.878 -10.269 -3.645 1.00 0.69 N ATOM 583 CA ALA A 40 -8.085 -9.393 -4.822 1.00 0.74 C ATOM 584 C ALA A 40 -7.712 -10.115 -6.138 1.00 0.80 C ATOM 585 O ALA A 40 -7.083 -11.170 -6.103 1.00 1.12 O ATOM 586 CB ALA A 40 -7.271 -8.105 -4.630 1.00 0.77 C ATOM 0 H ALA A 40 -7.185 -10.997 -3.819 1.00 0.69 H new ATOM 0 HA ALA A 40 -9.142 -9.139 -4.901 1.00 0.74 H new ATOM 0 HB1 ALA A 40 -7.415 -7.452 -5.491 1.00 0.77 H new ATOM 0 HB2 ALA A 40 -7.605 -7.595 -3.727 1.00 0.77 H new ATOM 0 HB3 ALA A 40 -6.214 -8.353 -4.536 1.00 0.77 H new ATOM 592 N GLU A 41 -8.092 -9.553 -7.290 1.00 0.69 N ATOM 593 CA GLU A 41 -7.708 -10.019 -8.639 1.00 0.80 C ATOM 594 C GLU A 41 -6.502 -9.221 -9.179 1.00 0.87 C ATOM 595 O GLU A 41 -5.666 -9.720 -9.936 1.00 1.08 O ATOM 596 CB GLU A 41 -8.908 -9.809 -9.588 1.00 0.91 C ATOM 597 CG GLU A 41 -8.951 -10.787 -10.770 1.00 1.11 C ATOM 598 CD GLU A 41 -9.572 -12.107 -10.323 1.00 1.85 C ATOM 599 OE1 GLU A 41 -10.817 -12.191 -10.279 1.00 2.46 O ATOM 600 OE2 GLU A 41 -8.834 -12.981 -9.815 1.00 3.07 O ATOM 0 H GLU A 41 -8.697 -8.732 -7.317 1.00 0.69 H new ATOM 0 HA GLU A 41 -7.430 -11.071 -8.583 1.00 0.80 H new ATOM 0 HB2 GLU A 41 -9.831 -9.906 -9.016 1.00 0.91 H new ATOM 0 HB3 GLU A 41 -8.878 -8.790 -9.974 1.00 0.91 H new ATOM 0 HG2 GLU A 41 -9.532 -10.359 -11.587 1.00 1.11 H new ATOM 0 HG3 GLU A 41 -7.944 -10.958 -11.150 1.00 1.11 H new ATOM 607 N ARG A 42 -6.427 -7.954 -8.758 1.00 0.94 N ATOM 608 CA ARG A 42 -5.520 -6.892 -9.157 1.00 0.97 C ATOM 609 C ARG A 42 -5.109 -6.123 -7.900 1.00 0.88 C ATOM 610 O ARG A 42 -5.860 -6.039 -6.926 1.00 1.10 O ATOM 611 CB ARG A 42 -6.278 -5.935 -10.096 1.00 1.07 C ATOM 612 CG ARG A 42 -5.872 -6.075 -11.564 1.00 1.73 C ATOM 613 CD ARG A 42 -6.695 -5.080 -12.395 1.00 1.86 C ATOM 614 NE ARG A 42 -6.163 -4.923 -13.764 1.00 2.91 N ATOM 615 CZ ARG A 42 -5.647 -3.809 -14.280 1.00 3.88 C ATOM 616 NH1 ARG A 42 -5.444 -2.726 -13.567 1.00 4.29 N ATOM 617 NH2 ARG A 42 -5.322 -3.776 -15.555 1.00 5.02 N ATOM 0 H ARG A 42 -7.079 -7.618 -8.049 1.00 0.94 H new ATOM 0 HA ARG A 42 -4.643 -7.298 -9.660 1.00 0.97 H new ATOM 0 HB2 ARG A 42 -7.348 -6.120 -10.004 1.00 1.07 H new ATOM 0 HB3 ARG A 42 -6.103 -4.908 -9.775 1.00 1.07 H new ATOM 0 HG2 ARG A 42 -4.807 -5.877 -11.683 1.00 1.73 H new ATOM 0 HG3 ARG A 42 -6.048 -7.094 -11.910 1.00 1.73 H new ATOM 0 HD2 ARG A 42 -7.729 -5.420 -12.446 1.00 1.86 H new ATOM 0 HD3 ARG A 42 -6.702 -4.111 -11.896 1.00 1.86 H new ATOM 0 HE ARG A 42 -6.194 -5.743 -14.370 1.00 2.91 H new ATOM 0 HH11 ARG A 42 -5.684 -2.716 -12.576 1.00 4.29 H new ATOM 0 HH12 ARG A 42 -5.046 -1.895 -14.004 1.00 4.29 H new ATOM 0 HH21 ARG A 42 -5.466 -4.599 -16.139 1.00 5.02 H new ATOM 0 HH22 ARG A 42 -4.926 -2.927 -15.959 1.00 5.02 H new ATOM 631 N VAL A 43 -3.937 -5.513 -7.935 1.00 0.73 N ATOM 632 CA VAL A 43 -3.381 -4.705 -6.849 1.00 0.74 C ATOM 633 C VAL A 43 -2.389 -3.699 -7.412 1.00 1.10 C ATOM 634 O VAL A 43 -1.440 -4.068 -8.101 1.00 1.74 O ATOM 635 CB VAL A 43 -2.761 -5.588 -5.758 1.00 0.87 C ATOM 636 CG1 VAL A 43 -1.542 -6.418 -6.206 1.00 1.32 C ATOM 637 CG2 VAL A 43 -2.433 -4.781 -4.499 1.00 0.91 C ATOM 0 H VAL A 43 -3.320 -5.565 -8.746 1.00 0.73 H new ATOM 0 HA VAL A 43 -4.187 -4.149 -6.371 1.00 0.74 H new ATOM 0 HB VAL A 43 -3.538 -6.317 -5.526 1.00 0.87 H new ATOM 0 HG11 VAL A 43 -1.175 -7.008 -5.366 1.00 1.32 H new ATOM 0 HG12 VAL A 43 -1.834 -7.084 -7.018 1.00 1.32 H new ATOM 0 HG13 VAL A 43 -0.754 -5.749 -6.551 1.00 1.32 H new ATOM 0 HG21 VAL A 43 -1.996 -5.439 -3.748 1.00 0.91 H new ATOM 0 HG22 VAL A 43 -1.723 -3.992 -4.747 1.00 0.91 H new ATOM 0 HG23 VAL A 43 -3.346 -4.336 -4.104 1.00 0.91 H new ATOM 647 N GLU A 44 -2.669 -2.427 -7.156 1.00 0.75 N ATOM 648 CA GLU A 44 -2.038 -1.300 -7.850 1.00 0.78 C ATOM 649 C GLU A 44 -1.758 -0.177 -6.861 1.00 0.49 C ATOM 650 O GLU A 44 -2.641 0.207 -6.093 1.00 0.80 O ATOM 651 CB GLU A 44 -2.976 -0.807 -8.966 1.00 1.11 C ATOM 652 CG GLU A 44 -2.906 -1.700 -10.213 1.00 2.02 C ATOM 653 CD GLU A 44 -4.294 -1.961 -10.786 1.00 2.80 C ATOM 654 OE1 GLU A 44 -4.904 -1.013 -11.322 1.00 2.91 O ATOM 655 OE2 GLU A 44 -4.727 -3.135 -10.796 1.00 4.14 O ATOM 0 H GLU A 44 -3.349 -2.140 -6.452 1.00 0.75 H new ATOM 0 HA GLU A 44 -1.093 -1.620 -8.289 1.00 0.78 H new ATOM 0 HB2 GLU A 44 -4.000 -0.783 -8.594 1.00 1.11 H new ATOM 0 HB3 GLU A 44 -2.711 0.215 -9.237 1.00 1.11 H new ATOM 0 HG2 GLU A 44 -2.282 -1.224 -10.969 1.00 2.02 H new ATOM 0 HG3 GLU A 44 -2.431 -2.648 -9.958 1.00 2.02 H new ATOM 662 N LEU A 45 -0.524 0.343 -6.853 1.00 0.78 N ATOM 663 CA LEU A 45 -0.163 1.416 -5.934 1.00 0.80 C ATOM 664 C LEU A 45 -0.579 2.797 -6.427 1.00 0.68 C ATOM 665 O LEU A 45 -0.438 3.169 -7.593 1.00 0.74 O ATOM 666 CB LEU A 45 1.306 1.394 -5.490 1.00 1.42 C ATOM 667 CG LEU A 45 2.366 1.842 -6.504 1.00 0.65 C ATOM 668 CD1 LEU A 45 3.686 2.036 -5.755 1.00 1.59 C ATOM 669 CD2 LEU A 45 2.572 0.828 -7.640 1.00 1.84 C ATOM 0 H LEU A 45 0.230 0.038 -7.468 1.00 0.78 H new ATOM 0 HA LEU A 45 -0.750 1.206 -5.040 1.00 0.80 H new ATOM 0 HB2 LEU A 45 1.399 2.026 -4.607 1.00 1.42 H new ATOM 0 HB3 LEU A 45 1.547 0.377 -5.180 1.00 1.42 H new ATOM 0 HG LEU A 45 2.023 2.768 -6.966 1.00 0.65 H new ATOM 0 HD11 LEU A 45 4.458 2.355 -6.455 1.00 1.59 H new ATOM 0 HD12 LEU A 45 3.559 2.796 -4.984 1.00 1.59 H new ATOM 0 HD13 LEU A 45 3.983 1.095 -5.292 1.00 1.59 H new ATOM 0 HD21 LEU A 45 3.333 1.200 -8.326 1.00 1.84 H new ATOM 0 HD22 LEU A 45 2.894 -0.126 -7.222 1.00 1.84 H new ATOM 0 HD23 LEU A 45 1.635 0.690 -8.179 1.00 1.84 H new ATOM 681 N HIS A 46 -1.040 3.576 -5.465 1.00 0.64 N ATOM 682 CA HIS A 46 -1.431 4.964 -5.565 1.00 0.60 C ATOM 683 C HIS A 46 -0.558 5.879 -4.696 1.00 0.54 C ATOM 684 O HIS A 46 0.019 5.472 -3.691 1.00 0.51 O ATOM 685 CB HIS A 46 -2.894 5.071 -5.102 1.00 0.61 C ATOM 686 CG HIS A 46 -3.960 4.433 -5.958 1.00 0.69 C ATOM 687 ND1 HIS A 46 -5.299 4.354 -5.602 1.00 0.72 N ATOM 688 CD2 HIS A 46 -3.824 3.829 -7.175 1.00 0.75 C ATOM 689 CE1 HIS A 46 -5.943 3.756 -6.608 1.00 0.79 C ATOM 690 NE2 HIS A 46 -5.078 3.410 -7.573 1.00 0.82 N ATOM 0 H HIS A 46 -1.159 3.221 -4.516 1.00 0.64 H new ATOM 0 HA HIS A 46 -1.308 5.289 -6.598 1.00 0.60 H new ATOM 0 HB2 HIS A 46 -2.961 4.634 -4.106 1.00 0.61 H new ATOM 0 HB3 HIS A 46 -3.136 6.129 -5.003 1.00 0.61 H new ATOM 0 HD2 HIS A 46 -2.904 3.702 -7.726 1.00 0.75 H new ATOM 0 HE1 HIS A 46 -7.008 3.577 -6.640 1.00 0.79 H new ATOM 0 HE2 HIS A 46 -5.305 2.926 -8.442 1.00 0.82 H new ATOM 698 N GLU A 47 -0.537 7.141 -5.087 1.00 0.54 N ATOM 699 CA GLU A 47 -0.196 8.297 -4.272 1.00 0.57 C ATOM 700 C GLU A 47 -1.483 8.928 -3.709 1.00 0.58 C ATOM 701 O GLU A 47 -2.522 8.891 -4.375 1.00 0.75 O ATOM 702 CB GLU A 47 0.614 9.276 -5.143 1.00 0.85 C ATOM 703 CG GLU A 47 -0.163 9.875 -6.320 1.00 1.15 C ATOM 704 CD GLU A 47 0.609 10.917 -7.125 1.00 1.47 C ATOM 705 OE1 GLU A 47 1.769 10.688 -7.515 1.00 2.22 O ATOM 706 OE2 GLU A 47 -0.025 11.923 -7.515 1.00 2.60 O ATOM 0 H GLU A 47 -0.773 7.404 -6.044 1.00 0.54 H new ATOM 0 HA GLU A 47 0.417 8.015 -3.416 1.00 0.57 H new ATOM 0 HB2 GLU A 47 0.976 10.088 -4.513 1.00 0.85 H new ATOM 0 HB3 GLU A 47 1.491 8.757 -5.530 1.00 0.85 H new ATOM 0 HG2 GLU A 47 -0.464 9.068 -6.988 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -1.077 10.332 -5.940 1.00 1.15 H new ATOM 713 N THR A 48 -1.393 9.529 -2.517 1.00 0.66 N ATOM 714 CA THR A 48 -2.321 10.533 -1.974 1.00 0.58 C ATOM 715 C THR A 48 -1.512 11.820 -1.830 1.00 0.53 C ATOM 716 O THR A 48 -0.308 11.745 -1.581 1.00 0.62 O ATOM 717 CB THR A 48 -2.853 10.115 -0.596 1.00 0.58 C ATOM 718 OG1 THR A 48 -3.632 8.952 -0.705 1.00 0.83 O ATOM 719 CG2 THR A 48 -3.744 11.158 0.085 1.00 0.64 C ATOM 0 H THR A 48 -0.633 9.319 -1.870 1.00 0.66 H new ATOM 0 HA THR A 48 -3.182 10.651 -2.632 1.00 0.58 H new ATOM 0 HB THR A 48 -1.956 9.973 0.007 1.00 0.58 H new ATOM 0 HG1 THR A 48 -3.701 8.521 0.172 1.00 0.83 H new ATOM 0 HG21 THR A 48 -4.074 10.779 1.052 1.00 0.64 H new ATOM 0 HG22 THR A 48 -3.180 12.079 0.230 1.00 0.64 H new ATOM 0 HG23 THR A 48 -4.613 11.359 -0.542 1.00 0.64 H new ATOM 727 N PHE A 49 -2.146 12.986 -1.960 1.00 0.61 N ATOM 728 CA PHE A 49 -1.476 14.290 -1.907 1.00 0.68 C ATOM 729 C PHE A 49 -2.431 15.447 -1.569 1.00 0.65 C ATOM 730 O PHE A 49 -3.646 15.275 -1.456 1.00 0.66 O ATOM 731 CB PHE A 49 -0.752 14.532 -3.246 1.00 0.74 C ATOM 732 CG PHE A 49 -1.671 14.531 -4.452 1.00 0.71 C ATOM 733 CD1 PHE A 49 -2.445 15.667 -4.750 1.00 1.69 C ATOM 734 CD2 PHE A 49 -1.784 13.389 -5.259 1.00 1.93 C ATOM 735 CE1 PHE A 49 -3.313 15.673 -5.850 1.00 1.68 C ATOM 736 CE2 PHE A 49 -2.628 13.402 -6.379 1.00 1.98 C ATOM 737 CZ PHE A 49 -3.383 14.545 -6.688 1.00 0.82 C ATOM 0 H PHE A 49 -3.153 13.054 -2.107 1.00 0.61 H new ATOM 0 HA PHE A 49 -0.753 14.266 -1.092 1.00 0.68 H new ATOM 0 HB2 PHE A 49 -0.232 15.489 -3.199 1.00 0.74 H new ATOM 0 HB3 PHE A 49 0.008 13.763 -3.381 1.00 0.74 H new ATOM 0 HD1 PHE A 49 -2.369 16.544 -4.124 1.00 1.69 H new ATOM 0 HD2 PHE A 49 -1.221 12.500 -5.018 1.00 1.93 H new ATOM 0 HE1 PHE A 49 -3.925 16.539 -6.054 1.00 1.68 H new ATOM 0 HE2 PHE A 49 -2.698 12.527 -7.008 1.00 1.98 H new ATOM 0 HZ PHE A 49 -4.014 14.558 -7.564 1.00 0.82 H new ATOM 747 N MET A 50 -1.879 16.662 -1.450 1.00 0.70 N ATOM 748 CA MET A 50 -2.624 17.921 -1.289 1.00 0.73 C ATOM 749 C MET A 50 -2.553 18.787 -2.557 1.00 0.70 C ATOM 750 O MET A 50 -1.521 18.814 -3.224 1.00 0.72 O ATOM 751 CB MET A 50 -2.058 18.715 -0.102 1.00 0.87 C ATOM 752 CG MET A 50 -2.225 17.974 1.230 1.00 2.24 C ATOM 753 SD MET A 50 -1.850 18.981 2.690 1.00 2.53 S ATOM 754 CE MET A 50 -0.051 19.126 2.525 1.00 3.38 C ATOM 0 H MET A 50 -0.869 16.802 -1.463 1.00 0.70 H new ATOM 0 HA MET A 50 -3.668 17.666 -1.106 1.00 0.73 H new ATOM 0 HB2 MET A 50 -1.000 18.915 -0.273 1.00 0.87 H new ATOM 0 HB3 MET A 50 -2.559 19.681 -0.043 1.00 0.87 H new ATOM 0 HG2 MET A 50 -3.250 17.612 1.306 1.00 2.24 H new ATOM 0 HG3 MET A 50 -1.576 17.098 1.230 1.00 2.24 H new ATOM 0 HE1 MET A 50 0.350 19.675 3.377 1.00 3.38 H new ATOM 0 HE2 MET A 50 0.393 18.131 2.493 1.00 3.38 H new ATOM 0 HE3 MET A 50 0.188 19.660 1.605 1.00 3.38 H new ATOM 764 N ARG A 51 -3.638 19.497 -2.880 1.00 0.72 N ATOM 765 CA ARG A 51 -3.720 20.480 -3.972 1.00 0.71 C ATOM 766 C ARG A 51 -4.532 21.718 -3.559 1.00 0.79 C ATOM 767 O ARG A 51 -5.521 21.613 -2.831 1.00 0.85 O ATOM 768 CB ARG A 51 -4.333 19.869 -5.246 1.00 0.77 C ATOM 769 CG ARG A 51 -3.251 19.234 -6.132 1.00 1.14 C ATOM 770 CD ARG A 51 -3.803 18.817 -7.498 1.00 1.82 C ATOM 771 NE ARG A 51 -2.753 18.168 -8.309 1.00 3.18 N ATOM 772 CZ ARG A 51 -2.630 18.224 -9.631 1.00 4.01 C ATOM 773 NH1 ARG A 51 -3.535 18.827 -10.374 1.00 3.94 N ATOM 774 NH2 ARG A 51 -1.582 17.683 -10.222 1.00 5.34 N ATOM 0 H ARG A 51 -4.517 19.402 -2.372 1.00 0.72 H new ATOM 0 HA ARG A 51 -2.696 20.785 -4.188 1.00 0.71 H new ATOM 0 HB2 ARG A 51 -5.071 19.115 -4.972 1.00 0.77 H new ATOM 0 HB3 ARG A 51 -4.859 20.642 -5.807 1.00 0.77 H new ATOM 0 HG2 ARG A 51 -2.434 19.942 -6.271 1.00 1.14 H new ATOM 0 HG3 ARG A 51 -2.834 18.362 -5.627 1.00 1.14 H new ATOM 0 HD2 ARG A 51 -4.641 18.133 -7.364 1.00 1.82 H new ATOM 0 HD3 ARG A 51 -4.187 19.692 -8.023 1.00 1.82 H new ATOM 0 HE ARG A 51 -2.053 17.623 -7.805 1.00 3.18 H new ATOM 0 HH11 ARG A 51 -4.347 19.261 -9.936 1.00 3.94 H new ATOM 0 HH12 ARG A 51 -3.423 18.860 -11.387 1.00 3.94 H new ATOM 0 HH21 ARG A 51 -0.864 17.221 -9.664 1.00 5.34 H new ATOM 0 HH22 ARG A 51 -1.490 17.727 -11.237 1.00 5.34 H new ATOM 788 N GLU A 52 -4.160 22.883 -4.083 1.00 0.95 N ATOM 789 CA GLU A 52 -5.024 24.037 -4.226 1.00 0.97 C ATOM 790 C GLU A 52 -5.637 24.005 -5.635 1.00 0.98 C ATOM 791 O GLU A 52 -4.929 23.672 -6.586 1.00 1.15 O ATOM 792 CB GLU A 52 -4.121 25.259 -4.067 1.00 1.19 C ATOM 793 CG GLU A 52 -4.881 26.574 -4.055 1.00 1.26 C ATOM 794 CD GLU A 52 -5.407 26.894 -2.664 1.00 1.44 C ATOM 795 OE1 GLU A 52 -6.346 26.202 -2.233 1.00 2.00 O ATOM 796 OE2 GLU A 52 -4.934 27.845 -2.011 1.00 2.25 O ATOM 0 H GLU A 52 -3.215 23.049 -4.430 1.00 0.95 H new ATOM 0 HA GLU A 52 -5.832 24.055 -3.495 1.00 0.97 H new ATOM 0 HB2 GLU A 52 -3.556 25.166 -3.139 1.00 1.19 H new ATOM 0 HB3 GLU A 52 -3.396 25.274 -4.881 1.00 1.19 H new ATOM 0 HG2 GLU A 52 -4.227 27.378 -4.393 1.00 1.26 H new ATOM 0 HG3 GLU A 52 -5.712 26.523 -4.758 1.00 1.26 H new ATOM 803 N VAL A 53 -6.915 24.358 -5.779 1.00 0.98 N ATOM 804 CA VAL A 53 -7.595 24.576 -7.067 1.00 1.15 C ATOM 805 C VAL A 53 -8.483 25.813 -6.908 1.00 1.28 C ATOM 806 O VAL A 53 -9.323 25.826 -6.021 1.00 1.48 O ATOM 807 CB VAL A 53 -8.440 23.339 -7.468 1.00 1.25 C ATOM 808 CG1 VAL A 53 -9.193 23.575 -8.789 1.00 1.77 C ATOM 809 CG2 VAL A 53 -7.580 22.069 -7.628 1.00 2.20 C ATOM 0 H VAL A 53 -7.530 24.506 -4.979 1.00 0.98 H new ATOM 0 HA VAL A 53 -6.864 24.728 -7.861 1.00 1.15 H new ATOM 0 HB VAL A 53 -9.150 23.192 -6.654 1.00 1.25 H new ATOM 0 HG11 VAL A 53 -9.775 22.688 -9.040 1.00 1.77 H new ATOM 0 HG12 VAL A 53 -9.862 24.429 -8.679 1.00 1.77 H new ATOM 0 HG13 VAL A 53 -8.476 23.776 -9.585 1.00 1.77 H new ATOM 0 HG21 VAL A 53 -8.218 21.231 -7.909 1.00 2.20 H new ATOM 0 HG22 VAL A 53 -6.832 22.232 -8.404 1.00 2.20 H new ATOM 0 HG23 VAL A 53 -7.082 21.846 -6.684 1.00 2.20 H new ATOM 819 N GLU A 54 -8.252 26.875 -7.696 1.00 1.61 N ATOM 820 CA GLU A 54 -8.984 28.161 -7.628 1.00 1.80 C ATOM 821 C GLU A 54 -8.822 28.907 -6.278 1.00 1.61 C ATOM 822 O GLU A 54 -9.668 29.718 -5.908 1.00 1.76 O ATOM 823 CB GLU A 54 -10.489 27.983 -7.924 1.00 2.06 C ATOM 824 CG GLU A 54 -10.882 27.310 -9.243 1.00 2.66 C ATOM 825 CD GLU A 54 -12.346 26.913 -9.107 1.00 2.91 C ATOM 826 OE1 GLU A 54 -12.608 25.826 -8.541 1.00 3.30 O ATOM 827 OE2 GLU A 54 -13.233 27.774 -9.306 1.00 3.45 O ATOM 0 H GLU A 54 -7.533 26.868 -8.419 1.00 1.61 H new ATOM 0 HA GLU A 54 -8.524 28.775 -8.402 1.00 1.80 H new ATOM 0 HB2 GLU A 54 -10.924 27.404 -7.110 1.00 2.06 H new ATOM 0 HB3 GLU A 54 -10.954 28.968 -7.899 1.00 2.06 H new ATOM 0 HG2 GLU A 54 -10.741 27.991 -10.083 1.00 2.66 H new ATOM 0 HG3 GLU A 54 -10.259 26.436 -9.433 1.00 2.66 H new ATOM 834 N GLY A 55 -7.783 28.599 -5.487 1.00 1.42 N ATOM 835 CA GLY A 55 -7.654 29.099 -4.103 1.00 1.40 C ATOM 836 C GLY A 55 -8.462 28.286 -3.080 1.00 1.33 C ATOM 837 O GLY A 55 -8.670 28.733 -1.951 1.00 1.50 O ATOM 0 H GLY A 55 -7.012 28.001 -5.783 1.00 1.42 H new ATOM 0 HA2 GLY A 55 -6.602 29.086 -3.817 1.00 1.40 H new ATOM 0 HA3 GLY A 55 -7.980 30.138 -4.069 1.00 1.40 H new ATOM 841 N LYS A 56 -8.906 27.086 -3.468 1.00 1.24 N ATOM 842 CA LYS A 56 -9.698 26.130 -2.691 1.00 1.39 C ATOM 843 C LYS A 56 -8.865 24.847 -2.508 1.00 1.20 C ATOM 844 O LYS A 56 -8.513 24.160 -3.473 1.00 1.05 O ATOM 845 CB LYS A 56 -11.035 25.801 -3.397 1.00 1.68 C ATOM 846 CG LYS A 56 -11.792 26.996 -4.014 1.00 2.19 C ATOM 847 CD LYS A 56 -12.886 26.495 -4.969 1.00 2.76 C ATOM 848 CE LYS A 56 -13.482 27.660 -5.768 1.00 3.09 C ATOM 849 NZ LYS A 56 -14.292 27.166 -6.905 1.00 3.47 N ATOM 0 H LYS A 56 -8.705 26.732 -4.403 1.00 1.24 H new ATOM 0 HA LYS A 56 -9.941 26.568 -1.723 1.00 1.39 H new ATOM 0 HB2 LYS A 56 -10.836 25.077 -4.187 1.00 1.68 H new ATOM 0 HB3 LYS A 56 -11.692 25.314 -2.676 1.00 1.68 H new ATOM 0 HG2 LYS A 56 -12.238 27.601 -3.224 1.00 2.19 H new ATOM 0 HG3 LYS A 56 -11.095 27.638 -4.552 1.00 2.19 H new ATOM 0 HD2 LYS A 56 -12.469 25.755 -5.652 1.00 2.76 H new ATOM 0 HD3 LYS A 56 -13.672 25.997 -4.401 1.00 2.76 H new ATOM 0 HE2 LYS A 56 -14.102 28.274 -5.115 1.00 3.09 H new ATOM 0 HE3 LYS A 56 -12.680 28.299 -6.139 1.00 3.09 H new ATOM 0 HZ1 LYS A 56 -14.204 27.824 -7.705 1.00 3.47 H new ATOM 0 HZ2 LYS A 56 -13.952 26.226 -7.191 1.00 3.47 H new ATOM 0 HZ3 LYS A 56 -15.290 27.101 -6.618 1.00 3.47 H new ATOM 863 N LYS A 57 -8.516 24.531 -1.265 1.00 1.26 N ATOM 864 CA LYS A 57 -7.577 23.479 -0.914 1.00 1.12 C ATOM 865 C LYS A 57 -8.297 22.158 -0.626 1.00 0.98 C ATOM 866 O LYS A 57 -9.277 22.120 0.110 1.00 1.12 O ATOM 867 CB LYS A 57 -6.635 23.964 0.202 1.00 1.25 C ATOM 868 CG LYS A 57 -7.230 24.719 1.413 1.00 1.89 C ATOM 869 CD LYS A 57 -6.755 26.189 1.480 1.00 2.66 C ATOM 870 CE LYS A 57 -7.460 27.071 0.440 1.00 3.78 C ATOM 871 NZ LYS A 57 -6.670 28.248 0.017 1.00 4.38 N ATOM 0 H LYS A 57 -8.892 25.017 -0.451 1.00 1.26 H new ATOM 0 HA LYS A 57 -6.937 23.255 -1.767 1.00 1.12 H new ATOM 0 HB2 LYS A 57 -6.105 23.093 0.586 1.00 1.25 H new ATOM 0 HB3 LYS A 57 -5.890 24.614 -0.256 1.00 1.25 H new ATOM 0 HG2 LYS A 57 -8.318 24.694 1.355 1.00 1.89 H new ATOM 0 HG3 LYS A 57 -6.948 24.206 2.332 1.00 1.89 H new ATOM 0 HD2 LYS A 57 -6.943 26.585 2.478 1.00 2.66 H new ATOM 0 HD3 LYS A 57 -5.678 26.229 1.319 1.00 2.66 H new ATOM 0 HE2 LYS A 57 -7.691 26.467 -0.437 1.00 3.78 H new ATOM 0 HE3 LYS A 57 -8.410 27.412 0.852 1.00 3.78 H new ATOM 0 HZ1 LYS A 57 -7.223 28.813 -0.659 1.00 4.38 H new ATOM 0 HZ2 LYS A 57 -6.441 28.830 0.848 1.00 4.38 H new ATOM 0 HZ3 LYS A 57 -5.789 27.930 -0.436 1.00 4.38 H new ATOM 885 N VAL A 58 -7.797 21.094 -1.243 1.00 0.88 N ATOM 886 CA VAL A 58 -8.434 19.774 -1.336 1.00 0.88 C ATOM 887 C VAL A 58 -7.368 18.691 -1.551 1.00 0.78 C ATOM 888 O VAL A 58 -6.321 18.954 -2.137 1.00 1.00 O ATOM 889 CB VAL A 58 -9.507 19.784 -2.460 1.00 1.07 C ATOM 890 CG1 VAL A 58 -8.908 19.963 -3.870 1.00 1.85 C ATOM 891 CG2 VAL A 58 -10.401 18.539 -2.413 1.00 2.66 C ATOM 0 H VAL A 58 -6.894 21.123 -1.716 1.00 0.88 H new ATOM 0 HA VAL A 58 -8.945 19.541 -0.402 1.00 0.88 H new ATOM 0 HB VAL A 58 -10.125 20.659 -2.260 1.00 1.07 H new ATOM 0 HG11 VAL A 58 -9.709 19.961 -4.609 1.00 1.85 H new ATOM 0 HG12 VAL A 58 -8.371 20.910 -3.920 1.00 1.85 H new ATOM 0 HG13 VAL A 58 -8.220 19.144 -4.080 1.00 1.85 H new ATOM 0 HG21 VAL A 58 -11.136 18.588 -3.216 1.00 2.66 H new ATOM 0 HG22 VAL A 58 -9.788 17.646 -2.536 1.00 2.66 H new ATOM 0 HG23 VAL A 58 -10.915 18.496 -1.453 1.00 2.66 H new ATOM 901 N MET A 59 -7.603 17.478 -1.054 1.00 0.79 N ATOM 902 CA MET A 59 -6.704 16.331 -1.252 1.00 0.70 C ATOM 903 C MET A 59 -7.047 15.547 -2.523 1.00 0.65 C ATOM 904 O MET A 59 -8.177 15.593 -3.003 1.00 0.85 O ATOM 905 CB MET A 59 -6.698 15.423 -0.014 1.00 0.76 C ATOM 906 CG MET A 59 -5.959 16.120 1.133 1.00 0.84 C ATOM 907 SD MET A 59 -5.809 15.118 2.630 1.00 2.11 S ATOM 908 CE MET A 59 -5.128 16.374 3.741 1.00 2.51 C ATOM 0 H MET A 59 -8.428 17.257 -0.497 1.00 0.79 H new ATOM 0 HA MET A 59 -5.696 16.723 -1.387 1.00 0.70 H new ATOM 0 HB2 MET A 59 -7.721 15.193 0.286 1.00 0.76 H new ATOM 0 HB3 MET A 59 -6.214 14.475 -0.249 1.00 0.76 H new ATOM 0 HG2 MET A 59 -4.961 16.397 0.793 1.00 0.84 H new ATOM 0 HG3 MET A 59 -6.481 17.045 1.378 1.00 0.84 H new ATOM 0 HE1 MET A 59 -4.965 15.938 4.727 1.00 2.51 H new ATOM 0 HE2 MET A 59 -4.180 16.736 3.343 1.00 2.51 H new ATOM 0 HE3 MET A 59 -5.828 17.205 3.823 1.00 2.51 H new ATOM 918 N GLY A 60 -6.058 14.842 -3.069 1.00 0.55 N ATOM 919 CA GLY A 60 -6.190 14.018 -4.269 1.00 0.56 C ATOM 920 C GLY A 60 -5.479 12.678 -4.143 1.00 0.54 C ATOM 921 O GLY A 60 -4.813 12.404 -3.149 1.00 0.58 O ATOM 0 H GLY A 60 -5.116 14.828 -2.678 1.00 0.55 H new ATOM 0 HA2 GLY A 60 -7.247 13.846 -4.472 1.00 0.56 H new ATOM 0 HA3 GLY A 60 -5.785 14.560 -5.123 1.00 0.56 H new ATOM 925 N MET A 61 -5.634 11.851 -5.175 1.00 0.55 N ATOM 926 CA MET A 61 -5.085 10.505 -5.286 1.00 0.58 C ATOM 927 C MET A 61 -4.911 10.153 -6.764 1.00 0.63 C ATOM 928 O MET A 61 -5.710 10.565 -7.603 1.00 0.67 O ATOM 929 CB MET A 61 -6.025 9.541 -4.534 1.00 0.66 C ATOM 930 CG MET A 61 -5.750 8.040 -4.724 1.00 0.63 C ATOM 931 SD MET A 61 -7.037 6.862 -4.157 1.00 0.67 S ATOM 932 CE MET A 61 -7.771 7.771 -2.771 1.00 0.72 C ATOM 0 H MET A 61 -6.174 12.118 -5.998 1.00 0.55 H new ATOM 0 HA MET A 61 -4.098 10.428 -4.830 1.00 0.58 H new ATOM 0 HB2 MET A 61 -5.968 9.768 -3.469 1.00 0.66 H new ATOM 0 HB3 MET A 61 -7.048 9.745 -4.849 1.00 0.66 H new ATOM 0 HG2 MET A 61 -5.576 7.862 -5.785 1.00 0.63 H new ATOM 0 HG3 MET A 61 -4.822 7.800 -4.204 1.00 0.63 H new ATOM 0 HE1 MET A 61 -8.456 7.118 -2.229 1.00 0.72 H new ATOM 0 HE2 MET A 61 -6.982 8.108 -2.098 1.00 0.72 H new ATOM 0 HE3 MET A 61 -8.317 8.634 -3.151 1.00 0.72 H new ATOM 942 N ARG A 62 -3.859 9.400 -7.086 1.00 0.68 N ATOM 943 CA ARG A 62 -3.504 8.957 -8.445 1.00 0.79 C ATOM 944 C ARG A 62 -2.757 7.617 -8.368 1.00 0.84 C ATOM 945 O ARG A 62 -2.186 7.348 -7.316 1.00 0.84 O ATOM 946 CB ARG A 62 -2.576 9.995 -9.100 1.00 0.83 C ATOM 947 CG ARG A 62 -3.259 11.254 -9.649 1.00 1.61 C ATOM 948 CD ARG A 62 -2.320 12.007 -10.614 1.00 1.76 C ATOM 949 NE ARG A 62 -0.958 12.181 -10.065 1.00 2.64 N ATOM 950 CZ ARG A 62 0.206 12.077 -10.694 1.00 3.61 C ATOM 951 NH1 ARG A 62 0.295 12.023 -12.006 1.00 3.64 N ATOM 952 NH2 ARG A 62 1.312 12.014 -9.988 1.00 4.84 N ATOM 0 H ARG A 62 -3.201 9.066 -6.382 1.00 0.68 H new ATOM 0 HA ARG A 62 -4.415 8.846 -9.033 1.00 0.79 H new ATOM 0 HB2 ARG A 62 -1.830 10.301 -8.366 1.00 0.83 H new ATOM 0 HB3 ARG A 62 -2.040 9.511 -9.916 1.00 0.83 H new ATOM 0 HG2 ARG A 62 -4.177 10.979 -10.168 1.00 1.61 H new ATOM 0 HG3 ARG A 62 -3.543 11.909 -8.825 1.00 1.61 H new ATOM 0 HD2 ARG A 62 -2.261 11.462 -11.556 1.00 1.76 H new ATOM 0 HD3 ARG A 62 -2.745 12.985 -10.838 1.00 1.76 H new ATOM 0 HE ARG A 62 -0.906 12.411 -9.073 1.00 2.64 H new ATOM 0 HH11 ARG A 62 -0.550 12.061 -12.576 1.00 3.64 H new ATOM 0 HH12 ARG A 62 1.209 11.943 -12.452 1.00 3.64 H new ATOM 0 HH21 ARG A 62 1.269 12.045 -8.969 1.00 4.84 H new ATOM 0 HH22 ARG A 62 2.213 11.934 -10.458 1.00 4.84 H new ATOM 966 N PRO A 63 -2.702 6.785 -9.423 1.00 0.86 N ATOM 967 CA PRO A 63 -1.805 5.636 -9.459 1.00 0.83 C ATOM 968 C PRO A 63 -0.352 6.072 -9.669 1.00 0.83 C ATOM 969 O PRO A 63 -0.118 7.150 -10.214 1.00 0.86 O ATOM 970 CB PRO A 63 -2.322 4.764 -10.598 1.00 0.83 C ATOM 971 CG PRO A 63 -2.878 5.795 -11.584 1.00 0.85 C ATOM 972 CD PRO A 63 -3.447 6.888 -10.671 1.00 0.87 C ATOM 0 HA PRO A 63 -1.799 5.087 -8.517 1.00 0.83 H new ATOM 0 HB2 PRO A 63 -1.527 4.166 -11.043 1.00 0.83 H new ATOM 0 HB3 PRO A 63 -3.092 4.070 -10.260 1.00 0.83 H new ATOM 0 HG2 PRO A 63 -2.099 6.184 -12.240 1.00 0.85 H new ATOM 0 HG3 PRO A 63 -3.648 5.365 -12.224 1.00 0.85 H new ATOM 0 HD2 PRO A 63 -3.327 7.874 -11.119 1.00 0.87 H new ATOM 0 HD3 PRO A 63 -4.514 6.742 -10.503 1.00 0.87 H new ATOM 980 N VAL A 64 0.610 5.229 -9.269 1.00 0.80 N ATOM 981 CA VAL A 64 2.052 5.453 -9.524 1.00 0.81 C ATOM 982 C VAL A 64 2.737 4.146 -9.966 1.00 0.82 C ATOM 983 O VAL A 64 2.179 3.079 -9.721 1.00 0.82 O ATOM 984 CB VAL A 64 2.789 6.085 -8.311 1.00 0.72 C ATOM 985 CG1 VAL A 64 3.043 7.579 -8.565 1.00 0.86 C ATOM 986 CG2 VAL A 64 2.060 5.947 -6.966 1.00 1.18 C ATOM 0 H VAL A 64 0.416 4.368 -8.757 1.00 0.80 H new ATOM 0 HA VAL A 64 2.118 6.176 -10.337 1.00 0.81 H new ATOM 0 HB VAL A 64 3.718 5.521 -8.228 1.00 0.72 H new ATOM 0 HG11 VAL A 64 3.560 8.011 -7.708 1.00 0.86 H new ATOM 0 HG12 VAL A 64 3.658 7.697 -9.457 1.00 0.86 H new ATOM 0 HG13 VAL A 64 2.091 8.090 -8.710 1.00 0.86 H new ATOM 0 HG21 VAL A 64 2.652 6.418 -6.181 1.00 1.18 H new ATOM 0 HG22 VAL A 64 1.087 6.434 -7.028 1.00 1.18 H new ATOM 0 HG23 VAL A 64 1.923 4.891 -6.733 1.00 1.18 H new ATOM 996 N PRO A 65 3.904 4.199 -10.646 1.00 0.84 N ATOM 997 CA PRO A 65 4.516 3.032 -11.283 1.00 0.86 C ATOM 998 C PRO A 65 5.342 2.176 -10.317 1.00 0.75 C ATOM 999 O PRO A 65 5.515 0.989 -10.579 1.00 0.73 O ATOM 1000 CB PRO A 65 5.387 3.614 -12.399 1.00 0.95 C ATOM 1001 CG PRO A 65 5.860 4.942 -11.813 1.00 0.94 C ATOM 1002 CD PRO A 65 4.662 5.400 -10.983 1.00 0.89 C ATOM 0 HA PRO A 65 3.753 2.348 -11.655 1.00 0.86 H new ATOM 0 HB2 PRO A 65 6.224 2.959 -12.640 1.00 0.95 H new ATOM 0 HB3 PRO A 65 4.820 3.758 -13.319 1.00 0.95 H new ATOM 0 HG2 PRO A 65 6.752 4.817 -11.199 1.00 0.94 H new ATOM 0 HG3 PRO A 65 6.109 5.661 -12.593 1.00 0.94 H new ATOM 0 HD2 PRO A 65 4.990 5.917 -10.081 1.00 0.89 H new ATOM 0 HD3 PRO A 65 4.046 6.102 -11.546 1.00 0.89 H new ATOM 1010 N PHE A 66 5.848 2.766 -9.228 1.00 0.69 N ATOM 1011 CA PHE A 66 6.681 2.140 -8.193 1.00 0.59 C ATOM 1012 C PHE A 66 7.045 3.154 -7.100 1.00 0.57 C ATOM 1013 O PHE A 66 6.954 4.367 -7.302 1.00 0.64 O ATOM 1014 CB PHE A 66 7.968 1.514 -8.775 1.00 0.63 C ATOM 1015 CG PHE A 66 8.912 2.521 -9.387 1.00 0.72 C ATOM 1016 CD1 PHE A 66 9.860 3.179 -8.584 1.00 1.46 C ATOM 1017 CD2 PHE A 66 8.792 2.847 -10.747 1.00 2.23 C ATOM 1018 CE1 PHE A 66 10.635 4.218 -9.115 1.00 1.42 C ATOM 1019 CE2 PHE A 66 9.600 3.859 -11.296 1.00 2.35 C ATOM 1020 CZ PHE A 66 10.513 4.554 -10.477 1.00 0.96 C ATOM 0 H PHE A 66 5.677 3.753 -9.033 1.00 0.69 H new ATOM 0 HA PHE A 66 6.088 1.336 -7.758 1.00 0.59 H new ATOM 0 HB2 PHE A 66 8.489 0.976 -7.983 1.00 0.63 H new ATOM 0 HB3 PHE A 66 7.694 0.780 -9.533 1.00 0.63 H new ATOM 0 HD1 PHE A 66 9.991 2.882 -7.554 1.00 1.46 H new ATOM 0 HD2 PHE A 66 8.082 2.323 -11.369 1.00 2.23 H new ATOM 0 HE1 PHE A 66 11.323 4.759 -8.482 1.00 1.42 H new ATOM 0 HE2 PHE A 66 9.521 4.104 -12.345 1.00 2.35 H new ATOM 0 HZ PHE A 66 11.119 5.344 -10.894 1.00 0.96 H new ATOM 1030 N LEU A 67 7.519 2.638 -5.964 1.00 0.53 N ATOM 1031 CA LEU A 67 8.237 3.397 -4.938 1.00 0.60 C ATOM 1032 C LEU A 67 9.709 2.999 -4.920 1.00 0.69 C ATOM 1033 O LEU A 67 10.050 1.867 -5.260 1.00 0.65 O ATOM 1034 CB LEU A 67 7.655 3.129 -3.534 1.00 0.57 C ATOM 1035 CG LEU A 67 6.140 3.313 -3.362 1.00 0.51 C ATOM 1036 CD1 LEU A 67 5.791 3.150 -1.878 1.00 0.55 C ATOM 1037 CD2 LEU A 67 5.644 4.670 -3.868 1.00 0.54 C ATOM 0 H LEU A 67 7.411 1.652 -5.726 1.00 0.53 H new ATOM 0 HA LEU A 67 8.129 4.454 -5.183 1.00 0.60 H new ATOM 0 HB2 LEU A 67 7.906 2.107 -3.252 1.00 0.57 H new ATOM 0 HB3 LEU A 67 8.159 3.788 -2.827 1.00 0.57 H new ATOM 0 HG LEU A 67 5.641 2.555 -3.965 1.00 0.51 H new ATOM 0 HD11 LEU A 67 4.717 3.278 -1.741 1.00 0.55 H new ATOM 0 HD12 LEU A 67 6.084 2.155 -1.543 1.00 0.55 H new ATOM 0 HD13 LEU A 67 6.324 3.901 -1.294 1.00 0.55 H new ATOM 0 HD21 LEU A 67 4.566 4.742 -3.720 1.00 0.54 H new ATOM 0 HD22 LEU A 67 6.140 5.468 -3.315 1.00 0.54 H new ATOM 0 HD23 LEU A 67 5.872 4.768 -4.929 1.00 0.54 H new ATOM 1049 N GLU A 68 10.556 3.915 -4.461 1.00 0.83 N ATOM 1050 CA GLU A 68 11.968 3.663 -4.182 1.00 0.86 C ATOM 1051 C GLU A 68 12.217 3.835 -2.686 1.00 0.96 C ATOM 1052 O GLU A 68 11.691 4.771 -2.080 1.00 1.08 O ATOM 1053 CB GLU A 68 12.840 4.658 -4.965 1.00 0.99 C ATOM 1054 CG GLU A 68 14.350 4.458 -4.738 1.00 0.99 C ATOM 1055 CD GLU A 68 14.932 3.267 -5.508 1.00 0.80 C ATOM 1056 OE1 GLU A 68 14.172 2.348 -5.887 1.00 1.92 O ATOM 1057 OE2 GLU A 68 16.143 3.293 -5.816 1.00 1.58 O ATOM 0 H GLU A 68 10.274 4.876 -4.268 1.00 0.83 H new ATOM 0 HA GLU A 68 12.225 2.648 -4.487 1.00 0.86 H new ATOM 0 HB2 GLU A 68 12.624 4.560 -6.029 1.00 0.99 H new ATOM 0 HB3 GLU A 68 12.568 5.673 -4.677 1.00 0.99 H new ATOM 0 HG2 GLU A 68 14.877 5.365 -5.035 1.00 0.99 H new ATOM 0 HG3 GLU A 68 14.534 4.317 -3.673 1.00 0.99 H new ATOM 1064 N VAL A 69 13.048 2.966 -2.107 1.00 0.94 N ATOM 1065 CA VAL A 69 13.488 3.061 -0.711 1.00 1.02 C ATOM 1066 C VAL A 69 14.966 2.657 -0.560 1.00 0.98 C ATOM 1067 O VAL A 69 15.345 1.576 -1.009 1.00 0.95 O ATOM 1068 CB VAL A 69 12.595 2.190 0.211 1.00 1.11 C ATOM 1069 CG1 VAL A 69 13.010 2.254 1.691 1.00 1.14 C ATOM 1070 CG2 VAL A 69 11.111 2.596 0.128 1.00 1.25 C ATOM 0 H VAL A 69 13.441 2.164 -2.601 1.00 0.94 H new ATOM 0 HA VAL A 69 13.389 4.103 -0.407 1.00 1.02 H new ATOM 0 HB VAL A 69 12.733 1.173 -0.157 1.00 1.11 H new ATOM 0 HG11 VAL A 69 12.346 1.623 2.283 1.00 1.14 H new ATOM 0 HG12 VAL A 69 14.036 1.901 1.797 1.00 1.14 H new ATOM 0 HG13 VAL A 69 12.942 3.283 2.044 1.00 1.14 H new ATOM 0 HG21 VAL A 69 10.522 1.960 0.789 1.00 1.25 H new ATOM 0 HG22 VAL A 69 11.001 3.637 0.432 1.00 1.25 H new ATOM 0 HG23 VAL A 69 10.758 2.478 -0.897 1.00 1.25 H new ATOM 1080 N PRO A 70 15.814 3.479 0.096 1.00 1.02 N ATOM 1081 CA PRO A 70 17.240 3.202 0.258 1.00 1.04 C ATOM 1082 C PRO A 70 17.508 2.017 1.208 1.00 1.05 C ATOM 1083 O PRO A 70 16.588 1.560 1.893 1.00 1.10 O ATOM 1084 CB PRO A 70 17.835 4.513 0.799 1.00 1.07 C ATOM 1085 CG PRO A 70 16.677 5.140 1.570 1.00 1.09 C ATOM 1086 CD PRO A 70 15.474 4.755 0.715 1.00 1.08 C ATOM 0 HA PRO A 70 17.697 2.901 -0.685 1.00 1.04 H new ATOM 0 HB2 PRO A 70 18.693 4.328 1.445 1.00 1.07 H new ATOM 0 HB3 PRO A 70 18.177 5.161 -0.008 1.00 1.07 H new ATOM 0 HG2 PRO A 70 16.600 4.744 2.583 1.00 1.09 H new ATOM 0 HG3 PRO A 70 16.785 6.221 1.658 1.00 1.09 H new ATOM 0 HD2 PRO A 70 14.575 4.666 1.324 1.00 1.08 H new ATOM 0 HD3 PRO A 70 15.273 5.514 -0.041 1.00 1.08 H new ATOM 1094 N PRO A 71 18.764 1.532 1.292 1.00 1.06 N ATOM 1095 CA PRO A 71 19.200 0.622 2.349 1.00 1.13 C ATOM 1096 C PRO A 71 18.983 1.237 3.731 1.00 1.36 C ATOM 1097 O PRO A 71 19.171 2.437 3.916 1.00 1.51 O ATOM 1098 CB PRO A 71 20.666 0.320 2.061 1.00 1.21 C ATOM 1099 CG PRO A 71 21.143 1.481 1.196 1.00 1.22 C ATOM 1100 CD PRO A 71 19.888 1.876 0.429 1.00 1.07 C ATOM 0 HA PRO A 71 18.619 -0.300 2.358 1.00 1.13 H new ATOM 0 HB2 PRO A 71 21.244 0.251 2.983 1.00 1.21 H new ATOM 0 HB3 PRO A 71 20.779 -0.632 1.542 1.00 1.21 H new ATOM 0 HG2 PRO A 71 21.523 2.305 1.800 1.00 1.22 H new ATOM 0 HG3 PRO A 71 21.948 1.180 0.525 1.00 1.22 H new ATOM 0 HD2 PRO A 71 19.891 2.941 0.198 1.00 1.07 H new ATOM 0 HD3 PRO A 71 19.828 1.344 -0.521 1.00 1.07 H new ATOM 1108 N LYS A 72 18.527 0.411 4.684 1.00 1.47 N ATOM 1109 CA LYS A 72 18.142 0.791 6.061 1.00 1.79 C ATOM 1110 C LYS A 72 16.915 1.725 6.149 1.00 1.89 C ATOM 1111 O LYS A 72 16.459 2.084 7.238 1.00 2.21 O ATOM 1112 CB LYS A 72 19.367 1.315 6.832 1.00 2.06 C ATOM 1113 CG LYS A 72 20.596 0.396 6.730 1.00 2.10 C ATOM 1114 CD LYS A 72 20.343 -1.028 7.258 1.00 2.24 C ATOM 1115 CE LYS A 72 21.583 -1.933 7.218 1.00 2.23 C ATOM 1116 NZ LYS A 72 22.015 -2.223 5.835 1.00 2.60 N ATOM 0 H LYS A 72 18.409 -0.588 4.513 1.00 1.47 H new ATOM 0 HA LYS A 72 17.797 -0.118 6.554 1.00 1.79 H new ATOM 0 HB2 LYS A 72 19.629 2.303 6.453 1.00 2.06 H new ATOM 0 HB3 LYS A 72 19.101 1.437 7.882 1.00 2.06 H new ATOM 0 HG2 LYS A 72 20.911 0.338 5.688 1.00 2.10 H new ATOM 0 HG3 LYS A 72 21.420 0.841 7.288 1.00 2.10 H new ATOM 0 HD2 LYS A 72 19.983 -0.966 8.285 1.00 2.24 H new ATOM 0 HD3 LYS A 72 19.550 -1.488 6.669 1.00 2.24 H new ATOM 0 HE2 LYS A 72 22.399 -1.454 7.759 1.00 2.23 H new ATOM 0 HE3 LYS A 72 21.365 -2.869 7.733 1.00 2.23 H new ATOM 0 HZ1 LYS A 72 22.358 -3.203 5.777 1.00 2.60 H new ATOM 0 HZ2 LYS A 72 21.211 -2.098 5.187 1.00 2.60 H new ATOM 0 HZ3 LYS A 72 22.780 -1.572 5.567 1.00 2.60 H new ATOM 1130 N GLY A 73 16.344 2.063 4.994 1.00 1.72 N ATOM 1131 CA GLY A 73 15.078 2.786 4.830 1.00 1.88 C ATOM 1132 C GLY A 73 13.857 1.885 5.055 1.00 1.62 C ATOM 1133 O GLY A 73 13.987 0.685 5.300 1.00 1.17 O ATOM 0 H GLY A 73 16.772 1.829 4.098 1.00 1.72 H new ATOM 0 HA2 GLY A 73 15.045 3.620 5.531 1.00 1.88 H new ATOM 0 HA3 GLY A 73 15.033 3.211 3.827 1.00 1.88 H new ATOM 1137 N ARG A 74 12.661 2.481 4.974 1.00 2.12 N ATOM 1138 CA ARG A 74 11.383 1.835 5.312 1.00 1.79 C ATOM 1139 C ARG A 74 10.307 2.038 4.233 1.00 2.37 C ATOM 1140 O ARG A 74 10.090 3.151 3.760 1.00 3.18 O ATOM 1141 CB ARG A 74 10.930 2.234 6.736 1.00 2.04 C ATOM 1142 CG ARG A 74 11.122 3.718 7.129 1.00 3.23 C ATOM 1143 CD ARG A 74 10.837 3.981 8.599 1.00 3.11 C ATOM 1144 NE ARG A 74 11.543 5.177 9.119 1.00 4.92 N ATOM 1145 CZ ARG A 74 11.071 6.415 9.242 1.00 6.57 C ATOM 1146 NH1 ARG A 74 9.871 6.768 8.846 1.00 6.90 N ATOM 1147 NH2 ARG A 74 11.830 7.345 9.784 1.00 8.23 N ATOM 0 H ARG A 74 12.551 3.447 4.665 1.00 2.12 H new ATOM 0 HA ARG A 74 11.545 0.757 5.326 1.00 1.79 H new ATOM 0 HB2 ARG A 74 9.873 1.987 6.840 1.00 2.04 H new ATOM 0 HB3 ARG A 74 11.473 1.618 7.452 1.00 2.04 H new ATOM 0 HG2 ARG A 74 12.145 4.019 6.903 1.00 3.23 H new ATOM 0 HG3 ARG A 74 10.465 4.338 6.520 1.00 3.23 H new ATOM 0 HD2 ARG A 74 9.764 4.110 8.738 1.00 3.11 H new ATOM 0 HD3 ARG A 74 11.132 3.109 9.183 1.00 3.11 H new ATOM 0 HE ARG A 74 12.507 5.033 9.419 1.00 4.92 H new ATOM 0 HH11 ARG A 74 9.251 6.079 8.420 1.00 6.90 H new ATOM 0 HH12 ARG A 74 9.558 7.732 8.964 1.00 6.90 H new ATOM 0 HH21 ARG A 74 12.770 7.113 10.105 1.00 8.23 H new ATOM 0 HH22 ARG A 74 11.478 8.297 9.883 1.00 8.23 H new ATOM 1161 N VAL A 75 9.634 0.944 3.867 1.00 2.33 N ATOM 1162 CA VAL A 75 8.636 0.833 2.782 1.00 3.29 C ATOM 1163 C VAL A 75 7.226 0.885 3.389 1.00 2.56 C ATOM 1164 O VAL A 75 6.540 -0.116 3.556 1.00 2.59 O ATOM 1165 CB VAL A 75 8.828 -0.426 1.889 1.00 4.42 C ATOM 1166 CG1 VAL A 75 8.162 -0.222 0.518 1.00 5.28 C ATOM 1167 CG2 VAL A 75 10.293 -0.863 1.684 1.00 5.29 C ATOM 0 H VAL A 75 9.775 0.054 4.345 1.00 2.33 H new ATOM 0 HA VAL A 75 8.780 1.680 2.111 1.00 3.29 H new ATOM 0 HB VAL A 75 8.346 -1.233 2.441 1.00 4.42 H new ATOM 0 HG11 VAL A 75 8.307 -1.113 -0.093 1.00 5.28 H new ATOM 0 HG12 VAL A 75 7.095 -0.045 0.654 1.00 5.28 H new ATOM 0 HG13 VAL A 75 8.611 0.637 0.019 1.00 5.28 H new ATOM 0 HG21 VAL A 75 10.323 -1.748 1.048 1.00 5.29 H new ATOM 0 HG22 VAL A 75 10.850 -0.056 1.209 1.00 5.29 H new ATOM 0 HG23 VAL A 75 10.742 -1.094 2.650 1.00 5.29 H new ATOM 1177 N GLU A 76 6.849 2.083 3.812 1.00 2.09 N ATOM 1178 CA GLU A 76 5.636 2.400 4.574 1.00 1.25 C ATOM 1179 C GLU A 76 4.606 3.083 3.664 1.00 1.18 C ATOM 1180 O GLU A 76 4.855 4.175 3.146 1.00 1.37 O ATOM 1181 CB GLU A 76 5.978 3.281 5.796 1.00 1.43 C ATOM 1182 CG GLU A 76 7.280 4.085 5.641 1.00 2.63 C ATOM 1183 CD GLU A 76 7.339 5.294 6.559 1.00 2.79 C ATOM 1184 OE1 GLU A 76 6.697 6.312 6.210 1.00 3.76 O ATOM 1185 OE2 GLU A 76 8.069 5.230 7.566 1.00 3.04 O ATOM 0 H GLU A 76 7.411 2.913 3.624 1.00 2.09 H new ATOM 0 HA GLU A 76 5.199 1.474 4.946 1.00 1.25 H new ATOM 0 HB2 GLU A 76 5.155 3.973 5.974 1.00 1.43 H new ATOM 0 HB3 GLU A 76 6.058 2.646 6.678 1.00 1.43 H new ATOM 0 HG2 GLU A 76 8.130 3.435 5.849 1.00 2.63 H new ATOM 0 HG3 GLU A 76 7.377 4.415 4.607 1.00 2.63 H new ATOM 1192 N LEU A 77 3.448 2.443 3.490 1.00 1.07 N ATOM 1193 CA LEU A 77 2.388 2.802 2.546 1.00 1.14 C ATOM 1194 C LEU A 77 1.152 3.380 3.272 1.00 1.65 C ATOM 1195 O LEU A 77 0.031 2.887 3.181 1.00 2.73 O ATOM 1196 CB LEU A 77 2.131 1.576 1.636 1.00 0.98 C ATOM 1197 CG LEU A 77 3.134 1.500 0.449 1.00 0.70 C ATOM 1198 CD1 LEU A 77 3.893 0.171 0.372 1.00 1.09 C ATOM 1199 CD2 LEU A 77 2.422 1.707 -0.898 1.00 1.25 C ATOM 0 H LEU A 77 3.212 1.614 4.035 1.00 1.07 H new ATOM 0 HA LEU A 77 2.687 3.623 1.894 1.00 1.14 H new ATOM 0 HB2 LEU A 77 2.204 0.665 2.229 1.00 0.98 H new ATOM 0 HB3 LEU A 77 1.114 1.622 1.247 1.00 0.98 H new ATOM 0 HG LEU A 77 3.850 2.299 0.640 1.00 0.70 H new ATOM 0 HD11 LEU A 77 4.574 0.190 -0.479 1.00 1.09 H new ATOM 0 HD12 LEU A 77 4.463 0.024 1.289 1.00 1.09 H new ATOM 0 HD13 LEU A 77 3.183 -0.647 0.251 1.00 1.09 H new ATOM 0 HD21 LEU A 77 3.150 1.648 -1.707 1.00 1.25 H new ATOM 0 HD22 LEU A 77 1.666 0.933 -1.033 1.00 1.25 H new ATOM 0 HD23 LEU A 77 1.944 2.687 -0.910 1.00 1.25 H new ATOM 1211 N LYS A 78 1.370 4.463 4.024 1.00 1.31 N ATOM 1212 CA LYS A 78 0.352 5.208 4.783 1.00 1.70 C ATOM 1213 C LYS A 78 -0.781 5.854 3.926 1.00 1.46 C ATOM 1214 O LYS A 78 -0.513 6.379 2.846 1.00 1.09 O ATOM 1215 CB LYS A 78 1.048 6.264 5.676 1.00 2.06 C ATOM 1216 CG LYS A 78 2.001 7.228 4.932 1.00 1.69 C ATOM 1217 CD LYS A 78 3.467 6.766 5.002 1.00 2.36 C ATOM 1218 CE LYS A 78 4.312 7.459 3.930 1.00 2.49 C ATOM 1219 NZ LYS A 78 5.625 6.790 3.793 1.00 3.39 N ATOM 0 H LYS A 78 2.302 4.865 4.127 1.00 1.31 H new ATOM 0 HA LYS A 78 -0.167 4.470 5.394 1.00 1.70 H new ATOM 0 HB2 LYS A 78 0.282 6.853 6.180 1.00 2.06 H new ATOM 0 HB3 LYS A 78 1.613 5.746 6.451 1.00 2.06 H new ATOM 0 HG2 LYS A 78 1.696 7.305 3.888 1.00 1.69 H new ATOM 0 HG3 LYS A 78 1.915 8.225 5.363 1.00 1.69 H new ATOM 0 HD2 LYS A 78 3.874 6.985 5.989 1.00 2.36 H new ATOM 0 HD3 LYS A 78 3.518 5.685 4.868 1.00 2.36 H new ATOM 0 HE2 LYS A 78 3.786 7.440 2.975 1.00 2.49 H new ATOM 0 HE3 LYS A 78 4.457 8.507 4.193 1.00 2.49 H new ATOM 0 HZ1 LYS A 78 6.173 7.251 3.039 1.00 3.39 H new ATOM 0 HZ2 LYS A 78 6.145 6.860 4.691 1.00 3.39 H new ATOM 0 HZ3 LYS A 78 5.481 5.788 3.553 1.00 3.39 H new ATOM 1233 N PRO A 79 -2.030 5.943 4.442 1.00 1.92 N ATOM 1234 CA PRO A 79 -3.191 6.481 3.716 1.00 2.14 C ATOM 1235 C PRO A 79 -3.056 7.947 3.283 1.00 1.93 C ATOM 1236 O PRO A 79 -3.549 8.305 2.218 1.00 2.85 O ATOM 1237 CB PRO A 79 -4.394 6.320 4.660 1.00 2.75 C ATOM 1238 CG PRO A 79 -3.767 6.208 6.046 1.00 2.80 C ATOM 1239 CD PRO A 79 -2.448 5.496 5.765 1.00 2.49 C ATOM 0 HA PRO A 79 -3.298 5.931 2.781 1.00 2.14 H new ATOM 0 HB2 PRO A 79 -5.068 7.174 4.595 1.00 2.75 H new ATOM 0 HB3 PRO A 79 -4.978 5.433 4.414 1.00 2.75 H new ATOM 0 HG2 PRO A 79 -3.609 7.187 6.499 1.00 2.80 H new ATOM 0 HG3 PRO A 79 -4.396 5.638 6.730 1.00 2.80 H new ATOM 0 HD2 PRO A 79 -1.700 5.747 6.517 1.00 2.49 H new ATOM 0 HD3 PRO A 79 -2.575 4.414 5.790 1.00 2.49 H new ATOM 1247 N GLY A 80 -2.367 8.775 4.081 1.00 1.23 N ATOM 1248 CA GLY A 80 -2.108 10.190 3.776 1.00 1.11 C ATOM 1249 C GLY A 80 -1.014 10.416 2.727 1.00 0.96 C ATOM 1250 O GLY A 80 -0.660 11.562 2.466 1.00 1.46 O ATOM 0 H GLY A 80 -1.968 8.476 4.971 1.00 1.23 H new ATOM 0 HA2 GLY A 80 -3.032 10.650 3.426 1.00 1.11 H new ATOM 0 HA3 GLY A 80 -1.826 10.703 4.696 1.00 1.11 H new ATOM 1254 N GLY A 81 -0.486 9.347 2.121 1.00 0.69 N ATOM 1255 CA GLY A 81 0.412 9.396 0.965 1.00 0.64 C ATOM 1256 C GLY A 81 0.338 8.119 0.145 1.00 0.74 C ATOM 1257 O GLY A 81 -0.741 7.706 -0.271 1.00 1.61 O ATOM 0 H GLY A 81 -0.679 8.395 2.432 1.00 0.69 H new ATOM 0 HA2 GLY A 81 0.151 10.248 0.337 1.00 0.64 H new ATOM 0 HA3 GLY A 81 1.436 9.552 1.305 1.00 0.64 H new ATOM 1261 N TYR A 82 1.476 7.461 -0.086 1.00 0.72 N ATOM 1262 CA TYR A 82 1.489 6.299 -0.975 1.00 0.66 C ATOM 1263 C TYR A 82 0.791 5.107 -0.336 1.00 0.62 C ATOM 1264 O TYR A 82 0.991 4.838 0.836 1.00 0.81 O ATOM 1265 CB TYR A 82 2.919 5.887 -1.317 1.00 0.77 C ATOM 1266 CG TYR A 82 3.649 6.926 -2.123 1.00 0.78 C ATOM 1267 CD1 TYR A 82 3.231 7.148 -3.445 1.00 2.04 C ATOM 1268 CD2 TYR A 82 4.700 7.681 -1.573 1.00 1.60 C ATOM 1269 CE1 TYR A 82 3.858 8.127 -4.224 1.00 2.12 C ATOM 1270 CE2 TYR A 82 5.329 8.673 -2.351 1.00 1.59 C ATOM 1271 CZ TYR A 82 4.908 8.902 -3.680 1.00 0.93 C ATOM 1272 OH TYR A 82 5.495 9.870 -4.430 1.00 1.05 O ATOM 0 H TYR A 82 2.380 7.705 0.319 1.00 0.72 H new ATOM 0 HA TYR A 82 0.960 6.591 -1.882 1.00 0.66 H new ATOM 0 HB2 TYR A 82 3.468 5.698 -0.395 1.00 0.77 H new ATOM 0 HB3 TYR A 82 2.899 4.950 -1.874 1.00 0.77 H new ATOM 0 HD1 TYR A 82 2.425 6.562 -3.861 1.00 2.04 H new ATOM 0 HD2 TYR A 82 5.024 7.501 -0.558 1.00 1.60 H new ATOM 0 HE1 TYR A 82 3.539 8.291 -5.243 1.00 2.12 H new ATOM 0 HE2 TYR A 82 6.133 9.259 -1.931 1.00 1.59 H new ATOM 0 HH TYR A 82 6.197 10.309 -3.906 1.00 1.05 H new ATOM 1282 N HIS A 83 -0.008 4.381 -1.103 1.00 0.46 N ATOM 1283 CA HIS A 83 -0.814 3.250 -0.598 1.00 0.43 C ATOM 1284 C HIS A 83 -1.249 2.296 -1.716 1.00 0.43 C ATOM 1285 O HIS A 83 -1.348 2.716 -2.866 1.00 0.50 O ATOM 1286 CB HIS A 83 -2.016 3.745 0.217 1.00 0.56 C ATOM 1287 CG HIS A 83 -3.025 4.486 -0.617 1.00 0.51 C ATOM 1288 ND1 HIS A 83 -2.934 5.809 -0.996 1.00 0.45 N ATOM 1289 CD2 HIS A 83 -4.098 3.932 -1.270 1.00 0.60 C ATOM 1290 CE1 HIS A 83 -3.905 6.047 -1.889 1.00 0.49 C ATOM 1291 NE2 HIS A 83 -4.633 4.936 -2.085 1.00 0.58 N ATOM 0 H HIS A 83 -0.125 4.551 -2.102 1.00 0.46 H new ATOM 0 HA HIS A 83 -0.170 2.676 0.068 1.00 0.43 H new ATOM 0 HB2 HIS A 83 -2.501 2.893 0.693 1.00 0.56 H new ATOM 0 HB3 HIS A 83 -1.663 4.398 1.016 1.00 0.56 H new ATOM 0 HD1 HIS A 83 -2.250 6.486 -0.657 1.00 0.45 H new ATOM 0 HD2 HIS A 83 -4.459 2.919 -1.174 1.00 0.60 H new ATOM 0 HE1 HIS A 83 -4.077 6.994 -2.379 1.00 0.49 H new ATOM 1299 N PHE A 84 -1.584 1.040 -1.407 1.00 0.50 N ATOM 1300 CA PHE A 84 -2.116 0.109 -2.410 1.00 0.54 C ATOM 1301 C PHE A 84 -3.644 0.182 -2.498 1.00 0.54 C ATOM 1302 O PHE A 84 -4.320 0.166 -1.476 1.00 0.62 O ATOM 1303 CB PHE A 84 -1.665 -1.324 -2.096 1.00 0.58 C ATOM 1304 CG PHE A 84 -0.274 -1.645 -2.598 1.00 0.49 C ATOM 1305 CD1 PHE A 84 -0.077 -1.913 -3.967 1.00 1.62 C ATOM 1306 CD2 PHE A 84 0.819 -1.687 -1.715 1.00 1.43 C ATOM 1307 CE1 PHE A 84 1.199 -2.251 -4.449 1.00 1.86 C ATOM 1308 CE2 PHE A 84 2.095 -2.019 -2.199 1.00 1.36 C ATOM 1309 CZ PHE A 84 2.284 -2.306 -3.559 1.00 0.94 C ATOM 0 H PHE A 84 -1.497 0.643 -0.471 1.00 0.50 H new ATOM 0 HA PHE A 84 -1.717 0.404 -3.381 1.00 0.54 H new ATOM 0 HB2 PHE A 84 -1.698 -1.478 -1.017 1.00 0.58 H new ATOM 0 HB3 PHE A 84 -2.373 -2.024 -2.540 1.00 0.58 H new ATOM 0 HD1 PHE A 84 -0.912 -1.858 -4.650 1.00 1.62 H new ATOM 0 HD2 PHE A 84 0.678 -1.465 -0.668 1.00 1.43 H new ATOM 0 HE1 PHE A 84 1.344 -2.467 -5.497 1.00 1.86 H new ATOM 0 HE2 PHE A 84 2.935 -2.053 -1.521 1.00 1.36 H new ATOM 0 HZ PHE A 84 3.266 -2.570 -3.923 1.00 0.94 H new ATOM 1319 N MET A 85 -4.195 0.168 -3.713 1.00 0.52 N ATOM 1320 CA MET A 85 -5.596 -0.111 -4.028 1.00 0.52 C ATOM 1321 C MET A 85 -5.736 -1.584 -4.440 1.00 0.46 C ATOM 1322 O MET A 85 -4.996 -2.060 -5.304 1.00 0.45 O ATOM 1323 CB MET A 85 -6.095 0.824 -5.130 1.00 0.58 C ATOM 1324 CG MET A 85 -7.479 1.402 -4.792 1.00 0.71 C ATOM 1325 SD MET A 85 -7.553 2.676 -3.481 1.00 0.71 S ATOM 1326 CE MET A 85 -9.363 2.761 -3.315 1.00 0.62 C ATOM 0 H MET A 85 -3.645 0.362 -4.550 1.00 0.52 H new ATOM 0 HA MET A 85 -6.212 0.068 -3.146 1.00 0.52 H new ATOM 0 HB2 MET A 85 -5.383 1.638 -5.269 1.00 0.58 H new ATOM 0 HB3 MET A 85 -6.146 0.281 -6.074 1.00 0.58 H new ATOM 0 HG2 MET A 85 -7.899 1.829 -5.703 1.00 0.71 H new ATOM 0 HG3 MET A 85 -8.128 0.577 -4.499 1.00 0.71 H new ATOM 0 HE1 MET A 85 -9.749 3.562 -3.946 1.00 0.62 H new ATOM 0 HE2 MET A 85 -9.802 1.812 -3.624 1.00 0.62 H new ATOM 0 HE3 MET A 85 -9.624 2.960 -2.276 1.00 0.62 H new ATOM 1336 N LEU A 86 -6.657 -2.306 -3.806 1.00 0.53 N ATOM 1337 CA LEU A 86 -6.916 -3.729 -4.041 1.00 0.56 C ATOM 1338 C LEU A 86 -8.221 -3.862 -4.826 1.00 0.65 C ATOM 1339 O LEU A 86 -9.266 -3.396 -4.379 1.00 0.82 O ATOM 1340 CB LEU A 86 -7.022 -4.484 -2.704 1.00 0.59 C ATOM 1341 CG LEU A 86 -5.687 -4.896 -2.058 1.00 0.60 C ATOM 1342 CD1 LEU A 86 -4.784 -3.713 -1.691 1.00 0.60 C ATOM 1343 CD2 LEU A 86 -6.001 -5.693 -0.784 1.00 0.70 C ATOM 0 H LEU A 86 -7.265 -1.906 -3.091 1.00 0.53 H new ATOM 0 HA LEU A 86 -6.094 -4.163 -4.610 1.00 0.56 H new ATOM 0 HB2 LEU A 86 -7.568 -3.858 -1.998 1.00 0.59 H new ATOM 0 HB3 LEU A 86 -7.620 -5.382 -2.862 1.00 0.59 H new ATOM 0 HG LEU A 86 -5.140 -5.485 -2.794 1.00 0.60 H new ATOM 0 HD11 LEU A 86 -3.863 -4.084 -1.241 1.00 0.60 H new ATOM 0 HD12 LEU A 86 -4.545 -3.145 -2.590 1.00 0.60 H new ATOM 0 HD13 LEU A 86 -5.301 -3.068 -0.980 1.00 0.60 H new ATOM 0 HD21 LEU A 86 -5.070 -5.997 -0.306 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -6.574 -5.070 -0.097 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -6.582 -6.578 -1.043 1.00 0.70 H new ATOM 1355 N LEU A 87 -8.164 -4.488 -6.002 1.00 0.66 N ATOM 1356 CA LEU A 87 -9.218 -4.389 -7.014 1.00 0.84 C ATOM 1357 C LEU A 87 -9.691 -5.784 -7.450 1.00 0.88 C ATOM 1358 O LEU A 87 -8.887 -6.709 -7.596 1.00 0.80 O ATOM 1359 CB LEU A 87 -8.647 -3.511 -8.147 1.00 1.23 C ATOM 1360 CG LEU A 87 -9.697 -2.697 -8.926 1.00 1.33 C ATOM 1361 CD1 LEU A 87 -9.085 -1.345 -9.331 1.00 1.78 C ATOM 1362 CD2 LEU A 87 -10.199 -3.451 -10.164 1.00 2.67 C ATOM 0 H LEU A 87 -7.382 -5.081 -6.281 1.00 0.66 H new ATOM 0 HA LEU A 87 -10.125 -3.917 -6.635 1.00 0.84 H new ATOM 0 HB2 LEU A 87 -7.917 -2.823 -7.721 1.00 1.23 H new ATOM 0 HB3 LEU A 87 -8.111 -4.151 -8.848 1.00 1.23 H new ATOM 0 HG LEU A 87 -10.559 -2.535 -8.279 1.00 1.33 H new ATOM 0 HD11 LEU A 87 -9.823 -0.763 -9.883 1.00 1.78 H new ATOM 0 HD12 LEU A 87 -8.787 -0.798 -8.437 1.00 1.78 H new ATOM 0 HD13 LEU A 87 -8.212 -1.515 -9.961 1.00 1.78 H new ATOM 0 HD21 LEU A 87 -10.938 -2.843 -10.686 1.00 2.67 H new ATOM 0 HD22 LEU A 87 -9.361 -3.655 -10.831 1.00 2.67 H new ATOM 0 HD23 LEU A 87 -10.655 -4.392 -9.857 1.00 2.67 H new ATOM 1374 N GLY A 88 -11.010 -5.968 -7.577 1.00 1.05 N ATOM 1375 CA GLY A 88 -11.593 -7.302 -7.788 1.00 1.03 C ATOM 1376 C GLY A 88 -11.516 -8.183 -6.534 1.00 0.93 C ATOM 1377 O GLY A 88 -11.193 -9.365 -6.625 1.00 0.95 O ATOM 0 H GLY A 88 -11.695 -5.213 -7.538 1.00 1.05 H new ATOM 0 HA2 GLY A 88 -12.635 -7.196 -8.090 1.00 1.03 H new ATOM 0 HA3 GLY A 88 -11.072 -7.797 -8.608 1.00 1.03 H new ATOM 1381 N LEU A 89 -11.726 -7.585 -5.355 1.00 0.99 N ATOM 1382 CA LEU A 89 -11.763 -8.255 -4.053 1.00 1.01 C ATOM 1383 C LEU A 89 -12.582 -9.548 -3.971 1.00 1.08 C ATOM 1384 O LEU A 89 -13.616 -9.732 -4.603 1.00 1.32 O ATOM 1385 CB LEU A 89 -12.076 -7.291 -2.892 1.00 1.20 C ATOM 1386 CG LEU A 89 -13.252 -6.294 -3.048 1.00 1.49 C ATOM 1387 CD1 LEU A 89 -14.606 -6.979 -3.274 1.00 2.03 C ATOM 1388 CD2 LEU A 89 -13.329 -5.435 -1.780 1.00 1.75 C ATOM 0 H LEU A 89 -11.881 -6.580 -5.281 1.00 0.99 H new ATOM 0 HA LEU A 89 -10.736 -8.600 -3.935 1.00 1.01 H new ATOM 0 HB2 LEU A 89 -12.270 -7.894 -2.005 1.00 1.20 H new ATOM 0 HB3 LEU A 89 -11.175 -6.711 -2.692 1.00 1.20 H new ATOM 0 HG LEU A 89 -13.054 -5.692 -3.935 1.00 1.49 H new ATOM 0 HD11 LEU A 89 -15.384 -6.222 -3.375 1.00 2.03 H new ATOM 0 HD12 LEU A 89 -14.563 -7.579 -4.183 1.00 2.03 H new ATOM 0 HD13 LEU A 89 -14.834 -7.623 -2.425 1.00 2.03 H new ATOM 0 HD21 LEU A 89 -14.152 -4.726 -1.870 1.00 1.75 H new ATOM 0 HD22 LEU A 89 -13.497 -6.077 -0.915 1.00 1.75 H new ATOM 0 HD23 LEU A 89 -12.393 -4.891 -1.652 1.00 1.75 H new ATOM 1400 N LYS A 90 -12.099 -10.437 -3.103 1.00 1.03 N ATOM 1401 CA LYS A 90 -12.672 -11.778 -2.888 1.00 1.14 C ATOM 1402 C LYS A 90 -13.578 -11.873 -1.643 1.00 1.57 C ATOM 1403 O LYS A 90 -14.074 -12.950 -1.316 1.00 1.56 O ATOM 1404 CB LYS A 90 -11.549 -12.830 -2.849 1.00 1.06 C ATOM 1405 CG LYS A 90 -10.569 -12.779 -4.034 1.00 0.83 C ATOM 1406 CD LYS A 90 -11.221 -12.923 -5.413 1.00 1.21 C ATOM 1407 CE LYS A 90 -10.137 -12.963 -6.498 1.00 1.09 C ATOM 1408 NZ LYS A 90 -10.682 -13.317 -7.828 1.00 1.80 N ATOM 0 H LYS A 90 -11.286 -10.248 -2.517 1.00 1.03 H new ATOM 0 HA LYS A 90 -13.327 -11.981 -3.735 1.00 1.14 H new ATOM 0 HB2 LYS A 90 -10.985 -12.703 -1.925 1.00 1.06 H new ATOM 0 HB3 LYS A 90 -12.001 -13.821 -2.813 1.00 1.06 H new ATOM 0 HG2 LYS A 90 -10.029 -11.833 -4.000 1.00 0.83 H new ATOM 0 HG3 LYS A 90 -9.831 -13.572 -3.912 1.00 0.83 H new ATOM 0 HD2 LYS A 90 -11.819 -13.834 -5.450 1.00 1.21 H new ATOM 0 HD3 LYS A 90 -11.899 -12.089 -5.594 1.00 1.21 H new ATOM 0 HE2 LYS A 90 -9.649 -11.990 -6.556 1.00 1.09 H new ATOM 0 HE3 LYS A 90 -9.372 -13.687 -6.217 1.00 1.09 H new ATOM 0 HZ1 LYS A 90 -9.913 -13.660 -8.438 1.00 1.80 H new ATOM 0 HZ2 LYS A 90 -11.399 -14.063 -7.722 1.00 1.80 H new ATOM 0 HZ3 LYS A 90 -11.118 -12.477 -8.259 1.00 1.80 H new ATOM 1422 N ARG A 91 -13.781 -10.763 -0.923 1.00 1.98 N ATOM 1423 CA ARG A 91 -14.558 -10.679 0.316 1.00 2.13 C ATOM 1424 C ARG A 91 -15.009 -9.233 0.588 1.00 2.11 C ATOM 1425 O ARG A 91 -14.268 -8.313 0.229 1.00 2.05 O ATOM 1426 CB ARG A 91 -13.705 -11.237 1.476 1.00 2.14 C ATOM 1427 CG ARG A 91 -12.614 -10.277 1.984 1.00 3.54 C ATOM 1428 CD ARG A 91 -11.573 -10.955 2.882 1.00 3.66 C ATOM 1429 NE ARG A 91 -12.167 -11.556 4.085 1.00 4.09 N ATOM 1430 CZ ARG A 91 -12.079 -12.818 4.487 1.00 4.12 C ATOM 1431 NH1 ARG A 91 -11.352 -13.718 3.852 1.00 4.05 N ATOM 1432 NH2 ARG A 91 -12.741 -13.202 5.551 1.00 4.96 N ATOM 0 H ARG A 91 -13.391 -9.862 -1.201 1.00 1.98 H new ATOM 0 HA ARG A 91 -15.464 -11.277 0.222 1.00 2.13 H new ATOM 0 HB2 ARG A 91 -14.364 -11.490 2.306 1.00 2.14 H new ATOM 0 HB3 ARG A 91 -13.233 -12.164 1.150 1.00 2.14 H new ATOM 0 HG2 ARG A 91 -12.108 -9.829 1.129 1.00 3.54 H new ATOM 0 HG3 ARG A 91 -13.085 -9.464 2.537 1.00 3.54 H new ATOM 0 HD2 ARG A 91 -11.056 -11.727 2.313 1.00 3.66 H new ATOM 0 HD3 ARG A 91 -10.823 -10.222 3.179 1.00 3.66 H new ATOM 0 HE ARG A 91 -12.710 -10.930 4.680 1.00 4.09 H new ATOM 0 HH11 ARG A 91 -10.829 -13.454 3.017 1.00 4.05 H new ATOM 0 HH12 ARG A 91 -11.313 -14.677 4.196 1.00 4.05 H new ATOM 0 HH21 ARG A 91 -13.317 -12.533 6.062 1.00 4.96 H new ATOM 0 HH22 ARG A 91 -12.680 -14.170 5.868 1.00 4.96 H new ATOM 1446 N PRO A 92 -16.153 -9.011 1.263 1.00 2.21 N ATOM 1447 CA PRO A 92 -16.488 -7.724 1.854 1.00 2.25 C ATOM 1448 C PRO A 92 -15.633 -7.551 3.120 1.00 2.19 C ATOM 1449 O PRO A 92 -16.058 -7.908 4.215 1.00 3.00 O ATOM 1450 CB PRO A 92 -17.995 -7.795 2.124 1.00 2.54 C ATOM 1451 CG PRO A 92 -18.237 -9.278 2.417 1.00 2.65 C ATOM 1452 CD PRO A 92 -17.191 -9.994 1.559 1.00 2.40 C ATOM 0 HA PRO A 92 -16.280 -6.858 1.226 1.00 2.25 H new ATOM 0 HB2 PRO A 92 -18.281 -7.167 2.968 1.00 2.54 H new ATOM 0 HB3 PRO A 92 -18.573 -7.456 1.264 1.00 2.54 H new ATOM 0 HG2 PRO A 92 -18.108 -9.503 3.476 1.00 2.65 H new ATOM 0 HG3 PRO A 92 -19.249 -9.579 2.148 1.00 2.65 H new ATOM 0 HD2 PRO A 92 -16.774 -10.850 2.090 1.00 2.40 H new ATOM 0 HD3 PRO A 92 -17.638 -10.375 0.641 1.00 2.40 H new ATOM 1460 N LEU A 93 -14.393 -7.078 2.938 1.00 1.69 N ATOM 1461 CA LEU A 93 -13.357 -6.982 3.973 1.00 1.59 C ATOM 1462 C LEU A 93 -13.768 -6.041 5.107 1.00 1.63 C ATOM 1463 O LEU A 93 -13.674 -4.814 5.031 1.00 2.16 O ATOM 1464 CB LEU A 93 -11.977 -6.670 3.364 1.00 1.65 C ATOM 1465 CG LEU A 93 -11.919 -5.479 2.379 1.00 1.91 C ATOM 1466 CD1 LEU A 93 -11.151 -4.280 2.954 1.00 2.49 C ATOM 1467 CD2 LEU A 93 -11.244 -5.937 1.079 1.00 2.69 C ATOM 0 H LEU A 93 -14.072 -6.739 2.031 1.00 1.69 H new ATOM 0 HA LEU A 93 -13.255 -7.961 4.441 1.00 1.59 H new ATOM 0 HB2 LEU A 93 -11.279 -6.475 4.178 1.00 1.65 H new ATOM 0 HB3 LEU A 93 -11.622 -7.561 2.846 1.00 1.65 H new ATOM 0 HG LEU A 93 -12.942 -5.153 2.193 1.00 1.91 H new ATOM 0 HD11 LEU A 93 -11.139 -3.471 2.223 1.00 2.49 H new ATOM 0 HD12 LEU A 93 -11.640 -3.938 3.866 1.00 2.49 H new ATOM 0 HD13 LEU A 93 -10.128 -4.578 3.181 1.00 2.49 H new ATOM 0 HD21 LEU A 93 -11.199 -5.103 0.379 1.00 2.69 H new ATOM 0 HD22 LEU A 93 -10.234 -6.283 1.296 1.00 2.69 H new ATOM 0 HD23 LEU A 93 -11.819 -6.751 0.637 1.00 2.69 H new ATOM 1479 N LYS A 94 -14.283 -6.678 6.151 1.00 1.52 N ATOM 1480 CA LYS A 94 -14.877 -6.049 7.326 1.00 1.58 C ATOM 1481 C LYS A 94 -13.904 -5.970 8.507 1.00 1.27 C ATOM 1482 O LYS A 94 -12.906 -6.681 8.590 1.00 1.60 O ATOM 1483 CB LYS A 94 -16.244 -6.692 7.653 1.00 2.32 C ATOM 1484 CG LYS A 94 -16.270 -8.203 7.930 1.00 1.87 C ATOM 1485 CD LYS A 94 -15.807 -8.608 9.335 1.00 2.31 C ATOM 1486 CE LYS A 94 -15.842 -10.136 9.458 1.00 3.24 C ATOM 1487 NZ LYS A 94 -15.026 -10.618 10.599 1.00 4.27 N ATOM 0 H LYS A 94 -14.299 -7.696 6.205 1.00 1.52 H new ATOM 0 HA LYS A 94 -15.084 -5.004 7.093 1.00 1.58 H new ATOM 0 HB2 LYS A 94 -16.655 -6.183 8.525 1.00 2.32 H new ATOM 0 HB3 LYS A 94 -16.918 -6.491 6.820 1.00 2.32 H new ATOM 0 HG2 LYS A 94 -17.286 -8.568 7.778 1.00 1.87 H new ATOM 0 HG3 LYS A 94 -15.638 -8.703 7.196 1.00 1.87 H new ATOM 0 HD2 LYS A 94 -14.798 -8.240 9.518 1.00 2.31 H new ATOM 0 HD3 LYS A 94 -16.453 -8.156 10.088 1.00 2.31 H new ATOM 0 HE2 LYS A 94 -16.873 -10.467 9.584 1.00 3.24 H new ATOM 0 HE3 LYS A 94 -15.474 -10.583 8.534 1.00 3.24 H new ATOM 0 HZ1 LYS A 94 -14.851 -11.638 10.494 1.00 4.27 H new ATOM 0 HZ2 LYS A 94 -14.118 -10.111 10.615 1.00 4.27 H new ATOM 0 HZ3 LYS A 94 -15.536 -10.444 11.489 1.00 4.27 H new ATOM 1501 N ALA A 95 -14.216 -5.092 9.457 1.00 1.17 N ATOM 1502 CA ALA A 95 -13.452 -4.908 10.673 1.00 1.21 C ATOM 1503 C ALA A 95 -13.463 -6.192 11.510 1.00 1.45 C ATOM 1504 O ALA A 95 -14.495 -6.841 11.693 1.00 1.68 O ATOM 1505 CB ALA A 95 -14.001 -3.697 11.426 1.00 1.28 C ATOM 0 H ALA A 95 -15.028 -4.477 9.394 1.00 1.17 H new ATOM 0 HA ALA A 95 -12.406 -4.707 10.440 1.00 1.21 H new ATOM 0 HB1 ALA A 95 -13.432 -3.550 12.344 1.00 1.28 H new ATOM 0 HB2 ALA A 95 -13.914 -2.809 10.800 1.00 1.28 H new ATOM 0 HB3 ALA A 95 -15.049 -3.866 11.673 1.00 1.28 H new ATOM 1511 N GLY A 96 -12.271 -6.554 11.965 1.00 1.48 N ATOM 1512 CA GLY A 96 -11.983 -7.833 12.617 1.00 1.78 C ATOM 1513 C GLY A 96 -11.810 -8.947 11.588 1.00 1.92 C ATOM 1514 O GLY A 96 -12.522 -9.949 11.634 1.00 2.85 O ATOM 0 H GLY A 96 -11.451 -5.951 11.890 1.00 1.48 H new ATOM 0 HA2 GLY A 96 -11.077 -7.743 13.216 1.00 1.78 H new ATOM 0 HA3 GLY A 96 -12.793 -8.087 13.300 1.00 1.78 H new ATOM 1518 N GLU A 97 -10.889 -8.737 10.648 1.00 1.19 N ATOM 1519 CA GLU A 97 -10.292 -9.731 9.756 1.00 1.20 C ATOM 1520 C GLU A 97 -8.791 -9.444 9.652 1.00 1.11 C ATOM 1521 O GLU A 97 -8.277 -8.511 10.270 1.00 1.07 O ATOM 1522 CB GLU A 97 -10.944 -9.722 8.358 1.00 1.20 C ATOM 1523 CG GLU A 97 -12.430 -10.041 8.483 1.00 1.36 C ATOM 1524 CD GLU A 97 -13.128 -10.441 7.190 1.00 1.51 C ATOM 1525 OE1 GLU A 97 -12.892 -9.840 6.122 1.00 2.42 O ATOM 1526 OE2 GLU A 97 -13.920 -11.405 7.251 1.00 2.13 O ATOM 0 H GLU A 97 -10.514 -7.804 10.478 1.00 1.19 H new ATOM 0 HA GLU A 97 -10.462 -10.725 10.171 1.00 1.20 H new ATOM 0 HB2 GLU A 97 -10.809 -8.747 7.889 1.00 1.20 H new ATOM 0 HB3 GLU A 97 -10.458 -10.455 7.714 1.00 1.20 H new ATOM 0 HG2 GLU A 97 -12.550 -10.849 9.205 1.00 1.36 H new ATOM 0 HG3 GLU A 97 -12.937 -9.168 8.894 1.00 1.36 H new ATOM 1533 N GLU A 98 -8.098 -10.233 8.844 1.00 1.12 N ATOM 1534 CA GLU A 98 -6.659 -10.345 8.751 1.00 0.99 C ATOM 1535 C GLU A 98 -6.379 -10.882 7.347 1.00 0.90 C ATOM 1536 O GLU A 98 -7.081 -11.762 6.850 1.00 1.10 O ATOM 1537 CB GLU A 98 -6.098 -11.227 9.881 1.00 1.22 C ATOM 1538 CG GLU A 98 -6.734 -12.624 9.978 1.00 2.23 C ATOM 1539 CD GLU A 98 -6.337 -13.325 11.275 1.00 2.69 C ATOM 1540 OE1 GLU A 98 -6.757 -12.831 12.345 1.00 3.46 O ATOM 1541 OE2 GLU A 98 -5.651 -14.364 11.181 1.00 3.21 O ATOM 0 H GLU A 98 -8.568 -10.857 8.188 1.00 1.12 H new ATOM 0 HA GLU A 98 -6.154 -9.389 8.886 1.00 0.99 H new ATOM 0 HB2 GLU A 98 -5.024 -11.340 9.736 1.00 1.22 H new ATOM 0 HB3 GLU A 98 -6.239 -10.711 10.831 1.00 1.22 H new ATOM 0 HG2 GLU A 98 -7.819 -12.536 9.927 1.00 2.23 H new ATOM 0 HG3 GLU A 98 -6.423 -13.228 9.126 1.00 2.23 H new ATOM 1548 N VAL A 99 -5.438 -10.244 6.671 1.00 0.75 N ATOM 1549 CA VAL A 99 -5.220 -10.344 5.226 1.00 0.72 C ATOM 1550 C VAL A 99 -3.718 -10.333 4.935 1.00 0.66 C ATOM 1551 O VAL A 99 -2.994 -9.465 5.411 1.00 0.72 O ATOM 1552 CB VAL A 99 -5.935 -9.166 4.513 1.00 0.77 C ATOM 1553 CG1 VAL A 99 -5.470 -8.980 3.059 1.00 0.97 C ATOM 1554 CG2 VAL A 99 -7.469 -9.348 4.535 1.00 0.88 C ATOM 0 H VAL A 99 -4.776 -9.616 7.126 1.00 0.75 H new ATOM 0 HA VAL A 99 -5.636 -11.278 4.849 1.00 0.72 H new ATOM 0 HB VAL A 99 -5.663 -8.270 5.072 1.00 0.77 H new ATOM 0 HG11 VAL A 99 -6.004 -8.142 2.611 1.00 0.97 H new ATOM 0 HG12 VAL A 99 -4.399 -8.778 3.043 1.00 0.97 H new ATOM 0 HG13 VAL A 99 -5.677 -9.887 2.492 1.00 0.97 H new ATOM 0 HG21 VAL A 99 -7.942 -8.507 4.028 1.00 0.88 H new ATOM 0 HG22 VAL A 99 -7.733 -10.274 4.025 1.00 0.88 H new ATOM 0 HG23 VAL A 99 -7.816 -9.391 5.568 1.00 0.88 H new ATOM 1564 N GLU A 100 -3.267 -11.270 4.101 1.00 0.67 N ATOM 1565 CA GLU A 100 -1.893 -11.287 3.601 1.00 0.68 C ATOM 1566 C GLU A 100 -1.696 -10.249 2.493 1.00 0.61 C ATOM 1567 O GLU A 100 -2.553 -10.107 1.608 1.00 0.62 O ATOM 1568 CB GLU A 100 -1.581 -12.619 2.917 1.00 1.06 C ATOM 1569 CG GLU A 100 -1.405 -13.877 3.764 1.00 1.35 C ATOM 1570 CD GLU A 100 -0.895 -14.987 2.838 1.00 1.45 C ATOM 1571 OE1 GLU A 100 -1.396 -15.079 1.692 1.00 2.42 O ATOM 1572 OE2 GLU A 100 0.120 -15.634 3.163 1.00 2.11 O ATOM 0 H GLU A 100 -3.843 -12.037 3.754 1.00 0.67 H new ATOM 0 HA GLU A 100 -1.259 -11.098 4.467 1.00 0.68 H new ATOM 0 HB2 GLU A 100 -2.382 -12.815 2.204 1.00 1.06 H new ATOM 0 HB3 GLU A 100 -0.666 -12.483 2.340 1.00 1.06 H new ATOM 0 HG2 GLU A 100 -0.698 -13.698 4.574 1.00 1.35 H new ATOM 0 HG3 GLU A 100 -2.350 -14.165 4.224 1.00 1.35 H new ATOM 1579 N LEU A 101 -0.497 -9.663 2.450 1.00 0.64 N ATOM 1580 CA LEU A 101 0.090 -9.157 1.212 1.00 0.57 C ATOM 1581 C LEU A 101 1.445 -9.828 0.926 1.00 0.61 C ATOM 1582 O LEU A 101 2.306 -9.988 1.796 1.00 0.68 O ATOM 1583 CB LEU A 101 0.210 -7.615 1.213 1.00 0.61 C ATOM 1584 CG LEU A 101 -0.620 -6.946 0.096 1.00 1.05 C ATOM 1585 CD1 LEU A 101 -2.113 -6.816 0.429 1.00 1.70 C ATOM 1586 CD2 LEU A 101 -0.091 -5.546 -0.219 1.00 1.68 C ATOM 0 H LEU A 101 0.091 -9.527 3.272 1.00 0.64 H new ATOM 0 HA LEU A 101 -0.590 -9.419 0.402 1.00 0.57 H new ATOM 0 HB2 LEU A 101 -0.116 -7.231 2.180 1.00 0.61 H new ATOM 0 HB3 LEU A 101 1.258 -7.337 1.096 1.00 0.61 H new ATOM 0 HG LEU A 101 -0.516 -7.609 -0.763 1.00 1.05 H new ATOM 0 HD11 LEU A 101 -2.631 -6.337 -0.402 1.00 1.70 H new ATOM 0 HD12 LEU A 101 -2.536 -7.806 0.598 1.00 1.70 H new ATOM 0 HD13 LEU A 101 -2.234 -6.212 1.328 1.00 1.70 H new ATOM 0 HD21 LEU A 101 -0.694 -5.098 -1.009 1.00 1.68 H new ATOM 0 HD22 LEU A 101 -0.147 -4.926 0.676 1.00 1.68 H new ATOM 0 HD23 LEU A 101 0.946 -5.614 -0.549 1.00 1.68 H new ATOM 1598 N ASP A 102 1.613 -10.169 -0.345 1.00 0.68 N ATOM 1599 CA ASP A 102 2.876 -10.358 -1.052 1.00 0.66 C ATOM 1600 C ASP A 102 3.322 -8.992 -1.604 1.00 0.66 C ATOM 1601 O ASP A 102 2.499 -8.232 -2.119 1.00 0.82 O ATOM 1602 CB ASP A 102 2.622 -11.314 -2.229 1.00 0.75 C ATOM 1603 CG ASP A 102 2.151 -12.707 -1.809 1.00 1.22 C ATOM 1604 OD1 ASP A 102 3.008 -13.527 -1.428 1.00 1.83 O ATOM 1605 OD2 ASP A 102 0.928 -12.977 -1.883 1.00 2.08 O ATOM 0 H ASP A 102 0.812 -10.333 -0.955 1.00 0.68 H new ATOM 0 HA ASP A 102 3.641 -10.766 -0.391 1.00 0.66 H new ATOM 0 HB2 ASP A 102 1.874 -10.872 -2.888 1.00 0.75 H new ATOM 0 HB3 ASP A 102 3.540 -11.412 -2.809 1.00 0.75 H new ATOM 1610 N LEU A 103 4.613 -8.679 -1.540 1.00 0.62 N ATOM 1611 CA LEU A 103 5.226 -7.489 -2.130 1.00 0.60 C ATOM 1612 C LEU A 103 6.115 -7.890 -3.311 1.00 0.63 C ATOM 1613 O LEU A 103 6.832 -8.886 -3.229 1.00 0.81 O ATOM 1614 CB LEU A 103 6.085 -6.757 -1.086 1.00 0.59 C ATOM 1615 CG LEU A 103 5.320 -6.052 0.052 1.00 0.62 C ATOM 1616 CD1 LEU A 103 4.858 -6.989 1.185 1.00 0.70 C ATOM 1617 CD2 LEU A 103 6.266 -5.005 0.650 1.00 0.79 C ATOM 0 H LEU A 103 5.289 -9.270 -1.057 1.00 0.62 H new ATOM 0 HA LEU A 103 4.431 -6.827 -2.474 1.00 0.60 H new ATOM 0 HB2 LEU A 103 6.772 -7.477 -0.642 1.00 0.59 H new ATOM 0 HB3 LEU A 103 6.692 -6.014 -1.602 1.00 0.59 H new ATOM 0 HG LEU A 103 4.414 -5.627 -0.379 1.00 0.62 H new ATOM 0 HD11 LEU A 103 4.329 -6.411 1.942 1.00 0.70 H new ATOM 0 HD12 LEU A 103 4.192 -7.750 0.779 1.00 0.70 H new ATOM 0 HD13 LEU A 103 5.726 -7.470 1.636 1.00 0.70 H new ATOM 0 HD21 LEU A 103 5.762 -4.481 1.462 1.00 0.79 H new ATOM 0 HD22 LEU A 103 7.158 -5.499 1.035 1.00 0.79 H new ATOM 0 HD23 LEU A 103 6.552 -4.290 -0.121 1.00 0.79 H new ATOM 1629 N LEU A 104 6.107 -7.090 -4.381 1.00 0.52 N ATOM 1630 CA LEU A 104 6.915 -7.290 -5.582 1.00 0.52 C ATOM 1631 C LEU A 104 7.963 -6.175 -5.688 1.00 0.55 C ATOM 1632 O LEU A 104 7.635 -4.998 -5.885 1.00 0.58 O ATOM 1633 CB LEU A 104 5.980 -7.313 -6.807 1.00 0.52 C ATOM 1634 CG LEU A 104 4.909 -8.426 -6.807 1.00 0.56 C ATOM 1635 CD1 LEU A 104 4.086 -8.365 -8.102 1.00 0.59 C ATOM 1636 CD2 LEU A 104 5.509 -9.834 -6.660 1.00 0.64 C ATOM 0 H LEU A 104 5.518 -6.259 -4.434 1.00 0.52 H new ATOM 0 HA LEU A 104 7.448 -8.240 -5.535 1.00 0.52 H new ATOM 0 HB2 LEU A 104 5.476 -6.349 -6.876 1.00 0.52 H new ATOM 0 HB3 LEU A 104 6.589 -7.419 -7.705 1.00 0.52 H new ATOM 0 HG LEU A 104 4.274 -8.246 -5.940 1.00 0.56 H new ATOM 0 HD11 LEU A 104 3.334 -9.154 -8.092 1.00 0.59 H new ATOM 0 HD12 LEU A 104 3.594 -7.395 -8.175 1.00 0.59 H new ATOM 0 HD13 LEU A 104 4.745 -8.503 -8.959 1.00 0.59 H new ATOM 0 HD21 LEU A 104 4.708 -10.573 -6.667 1.00 0.64 H new ATOM 0 HD22 LEU A 104 6.189 -10.028 -7.489 1.00 0.64 H new ATOM 0 HD23 LEU A 104 6.056 -9.900 -5.719 1.00 0.64 H new ATOM 1648 N PHE A 105 9.236 -6.549 -5.565 1.00 0.61 N ATOM 1649 CA PHE A 105 10.397 -5.666 -5.669 1.00 0.63 C ATOM 1650 C PHE A 105 11.264 -6.032 -6.887 1.00 0.73 C ATOM 1651 O PHE A 105 11.332 -7.188 -7.313 1.00 0.92 O ATOM 1652 CB PHE A 105 11.233 -5.784 -4.389 1.00 0.80 C ATOM 1653 CG PHE A 105 10.582 -5.300 -3.111 1.00 0.82 C ATOM 1654 CD1 PHE A 105 10.684 -3.947 -2.736 1.00 2.12 C ATOM 1655 CD2 PHE A 105 9.957 -6.220 -2.249 1.00 1.74 C ATOM 1656 CE1 PHE A 105 10.185 -3.520 -1.493 1.00 2.18 C ATOM 1657 CE2 PHE A 105 9.459 -5.793 -1.006 1.00 1.72 C ATOM 1658 CZ PHE A 105 9.574 -4.443 -0.626 1.00 0.96 C ATOM 0 H PHE A 105 9.498 -7.518 -5.382 1.00 0.61 H new ATOM 0 HA PHE A 105 10.046 -4.642 -5.797 1.00 0.63 H new ATOM 0 HB2 PHE A 105 11.509 -6.830 -4.257 1.00 0.80 H new ATOM 0 HB3 PHE A 105 12.158 -5.226 -4.533 1.00 0.80 H new ATOM 0 HD1 PHE A 105 11.146 -3.236 -3.404 1.00 2.12 H new ATOM 0 HD2 PHE A 105 9.860 -7.255 -2.543 1.00 1.74 H new ATOM 0 HE1 PHE A 105 10.271 -2.483 -1.204 1.00 2.18 H new ATOM 0 HE2 PHE A 105 8.987 -6.502 -0.342 1.00 1.72 H new ATOM 0 HZ PHE A 105 9.193 -4.116 0.330 1.00 0.96 H new ATOM 1668 N ALA A 106 11.985 -5.045 -7.431 1.00 0.80 N ATOM 1669 CA ALA A 106 12.839 -5.214 -8.610 1.00 0.97 C ATOM 1670 C ALA A 106 13.922 -6.307 -8.445 1.00 1.69 C ATOM 1671 O ALA A 106 14.601 -6.416 -7.414 1.00 2.37 O ATOM 1672 CB ALA A 106 13.459 -3.861 -8.980 1.00 1.01 C ATOM 0 H ALA A 106 11.991 -4.095 -7.059 1.00 0.80 H new ATOM 0 HA ALA A 106 12.206 -5.568 -9.424 1.00 0.97 H new ATOM 0 HB1 ALA A 106 14.096 -3.980 -9.857 1.00 1.01 H new ATOM 0 HB2 ALA A 106 12.667 -3.146 -9.201 1.00 1.01 H new ATOM 0 HB3 ALA A 106 14.056 -3.494 -8.145 1.00 1.01 H new ATOM 1678 N GLY A 107 14.107 -7.111 -9.501 1.00 2.14 N ATOM 1679 CA GLY A 107 15.133 -8.157 -9.573 1.00 2.94 C ATOM 1680 C GLY A 107 14.802 -9.386 -8.726 1.00 2.66 C ATOM 1681 O GLY A 107 15.590 -9.737 -7.849 1.00 3.56 O ATOM 0 H GLY A 107 13.536 -7.050 -10.344 1.00 2.14 H new ATOM 0 HA2 GLY A 107 15.258 -8.463 -10.612 1.00 2.94 H new ATOM 0 HA3 GLY A 107 16.087 -7.744 -9.245 1.00 2.94 H new ATOM 1685 N GLY A 108 13.644 -10.012 -8.972 1.00 1.79 N ATOM 1686 CA GLY A 108 13.280 -11.332 -8.428 1.00 1.89 C ATOM 1687 C GLY A 108 12.920 -11.363 -6.939 1.00 1.71 C ATOM 1688 O GLY A 108 12.845 -12.436 -6.350 1.00 2.16 O ATOM 0 H GLY A 108 12.918 -9.610 -9.566 1.00 1.79 H new ATOM 0 HA2 GLY A 108 12.433 -11.717 -8.995 1.00 1.89 H new ATOM 0 HA3 GLY A 108 14.113 -12.015 -8.596 1.00 1.89 H new ATOM 1692 N LYS A 109 12.722 -10.210 -6.296 1.00 1.29 N ATOM 1693 CA LYS A 109 12.493 -10.132 -4.850 1.00 1.29 C ATOM 1694 C LYS A 109 10.998 -10.107 -4.523 1.00 1.09 C ATOM 1695 O LYS A 109 10.310 -9.140 -4.839 1.00 1.08 O ATOM 1696 CB LYS A 109 13.213 -8.898 -4.300 1.00 1.27 C ATOM 1697 CG LYS A 109 14.702 -9.191 -4.140 1.00 1.63 C ATOM 1698 CD LYS A 109 15.488 -7.892 -3.884 1.00 2.08 C ATOM 1699 CE LYS A 109 16.844 -7.903 -4.599 1.00 2.63 C ATOM 1700 NZ LYS A 109 16.674 -7.831 -6.072 1.00 2.99 N ATOM 0 H LYS A 109 12.716 -9.303 -6.763 1.00 1.29 H new ATOM 0 HA LYS A 109 12.899 -11.023 -4.371 1.00 1.29 H new ATOM 0 HB2 LYS A 109 13.071 -8.053 -4.974 1.00 1.27 H new ATOM 0 HB3 LYS A 109 12.784 -8.615 -3.339 1.00 1.27 H new ATOM 0 HG2 LYS A 109 14.855 -9.883 -3.312 1.00 1.63 H new ATOM 0 HG3 LYS A 109 15.080 -9.680 -5.038 1.00 1.63 H new ATOM 0 HD2 LYS A 109 14.903 -7.038 -4.226 1.00 2.08 H new ATOM 0 HD3 LYS A 109 15.642 -7.764 -2.813 1.00 2.08 H new ATOM 0 HE2 LYS A 109 17.445 -7.060 -4.258 1.00 2.63 H new ATOM 0 HE3 LYS A 109 17.389 -8.810 -4.337 1.00 2.63 H new ATOM 0 HZ1 LYS A 109 17.570 -7.536 -6.511 1.00 2.99 H new ATOM 0 HZ2 LYS A 109 16.401 -8.766 -6.436 1.00 2.99 H new ATOM 0 HZ3 LYS A 109 15.932 -7.140 -6.302 1.00 2.99 H new ATOM 1714 N VAL A 110 10.535 -11.157 -3.848 1.00 1.00 N ATOM 1715 CA VAL A 110 9.145 -11.325 -3.391 1.00 0.86 C ATOM 1716 C VAL A 110 9.129 -11.571 -1.879 1.00 0.89 C ATOM 1717 O VAL A 110 9.972 -12.316 -1.376 1.00 1.02 O ATOM 1718 CB VAL A 110 8.418 -12.467 -4.142 1.00 0.91 C ATOM 1719 CG1 VAL A 110 6.939 -12.589 -3.723 1.00 1.71 C ATOM 1720 CG2 VAL A 110 8.486 -12.262 -5.667 1.00 1.90 C ATOM 0 H VAL A 110 11.132 -11.944 -3.592 1.00 1.00 H new ATOM 0 HA VAL A 110 8.602 -10.407 -3.615 1.00 0.86 H new ATOM 0 HB VAL A 110 8.936 -13.387 -3.871 1.00 0.91 H new ATOM 0 HG11 VAL A 110 6.470 -13.403 -4.276 1.00 1.71 H new ATOM 0 HG12 VAL A 110 6.879 -12.795 -2.654 1.00 1.71 H new ATOM 0 HG13 VAL A 110 6.421 -11.656 -3.942 1.00 1.71 H new ATOM 0 HG21 VAL A 110 7.967 -13.079 -6.168 1.00 1.90 H new ATOM 0 HG22 VAL A 110 8.011 -11.316 -5.929 1.00 1.90 H new ATOM 0 HG23 VAL A 110 9.528 -12.245 -5.986 1.00 1.90 H new ATOM 1730 N LEU A 111 8.212 -10.912 -1.161 1.00 0.83 N ATOM 1731 CA LEU A 111 8.219 -10.839 0.311 1.00 0.86 C ATOM 1732 C LEU A 111 6.783 -10.824 0.871 1.00 0.82 C ATOM 1733 O LEU A 111 5.986 -9.985 0.476 1.00 0.99 O ATOM 1734 CB LEU A 111 9.030 -9.576 0.689 1.00 0.94 C ATOM 1735 CG LEU A 111 9.755 -9.611 2.047 1.00 1.09 C ATOM 1736 CD1 LEU A 111 10.723 -8.418 2.116 1.00 2.55 C ATOM 1737 CD2 LEU A 111 8.796 -9.551 3.242 1.00 2.15 C ATOM 0 H LEU A 111 7.434 -10.408 -1.587 1.00 0.83 H new ATOM 0 HA LEU A 111 8.686 -11.718 0.754 1.00 0.86 H new ATOM 0 HB2 LEU A 111 9.772 -9.400 -0.090 1.00 0.94 H new ATOM 0 HB3 LEU A 111 8.354 -8.721 0.684 1.00 0.94 H new ATOM 0 HG LEU A 111 10.285 -10.561 2.113 1.00 1.09 H new ATOM 0 HD11 LEU A 111 11.245 -8.428 3.073 1.00 2.55 H new ATOM 0 HD12 LEU A 111 11.449 -8.491 1.306 1.00 2.55 H new ATOM 0 HD13 LEU A 111 10.162 -7.488 2.018 1.00 2.55 H new ATOM 0 HD21 LEU A 111 9.368 -9.579 4.169 1.00 2.15 H new ATOM 0 HD22 LEU A 111 8.219 -8.627 3.200 1.00 2.15 H new ATOM 0 HD23 LEU A 111 8.118 -10.404 3.208 1.00 2.15 H new ATOM 1749 N LYS A 112 6.447 -11.743 1.782 1.00 0.86 N ATOM 1750 CA LYS A 112 5.107 -11.879 2.387 1.00 0.96 C ATOM 1751 C LYS A 112 5.042 -11.263 3.805 1.00 0.95 C ATOM 1752 O LYS A 112 5.922 -11.556 4.611 1.00 1.12 O ATOM 1753 CB LYS A 112 4.778 -13.387 2.436 1.00 1.32 C ATOM 1754 CG LYS A 112 3.372 -13.714 2.973 1.00 1.65 C ATOM 1755 CD LYS A 112 2.266 -13.572 1.922 1.00 1.89 C ATOM 1756 CE LYS A 112 2.159 -14.858 1.090 1.00 1.58 C ATOM 1757 NZ LYS A 112 0.947 -14.876 0.244 1.00 2.41 N ATOM 0 H LYS A 112 7.112 -12.433 2.132 1.00 0.86 H new ATOM 0 HA LYS A 112 4.378 -11.336 1.786 1.00 0.96 H new ATOM 0 HB2 LYS A 112 4.876 -13.801 1.432 1.00 1.32 H new ATOM 0 HB3 LYS A 112 5.518 -13.888 3.060 1.00 1.32 H new ATOM 0 HG2 LYS A 112 3.367 -14.734 3.358 1.00 1.65 H new ATOM 0 HG3 LYS A 112 3.151 -13.055 3.813 1.00 1.65 H new ATOM 0 HD2 LYS A 112 1.314 -13.366 2.411 1.00 1.89 H new ATOM 0 HD3 LYS A 112 2.480 -12.725 1.270 1.00 1.89 H new ATOM 0 HE2 LYS A 112 3.042 -14.955 0.459 1.00 1.58 H new ATOM 0 HE3 LYS A 112 2.148 -15.720 1.757 1.00 1.58 H new ATOM 0 HZ1 LYS A 112 1.127 -15.444 -0.608 1.00 2.41 H new ATOM 0 HZ2 LYS A 112 0.157 -15.293 0.777 1.00 2.41 H new ATOM 0 HZ3 LYS A 112 0.703 -13.904 -0.033 1.00 2.41 H new ATOM 1771 N VAL A 113 3.996 -10.488 4.123 1.00 0.87 N ATOM 1772 CA VAL A 113 3.691 -9.921 5.468 1.00 0.92 C ATOM 1773 C VAL A 113 2.159 -9.831 5.661 1.00 0.80 C ATOM 1774 O VAL A 113 1.422 -10.027 4.690 1.00 0.77 O ATOM 1775 CB VAL A 113 4.364 -8.534 5.671 1.00 1.10 C ATOM 1776 CG1 VAL A 113 4.276 -7.973 7.092 1.00 2.06 C ATOM 1777 CG2 VAL A 113 5.861 -8.561 5.316 1.00 2.55 C ATOM 0 H VAL A 113 3.301 -10.220 3.427 1.00 0.87 H new ATOM 0 HA VAL A 113 4.104 -10.588 6.225 1.00 0.92 H new ATOM 0 HB VAL A 113 3.793 -7.892 5.000 1.00 1.10 H new ATOM 0 HG11 VAL A 113 4.774 -7.004 7.132 1.00 2.06 H new ATOM 0 HG12 VAL A 113 3.229 -7.855 7.373 1.00 2.06 H new ATOM 0 HG13 VAL A 113 4.762 -8.660 7.785 1.00 2.06 H new ATOM 0 HG21 VAL A 113 6.290 -7.571 5.473 1.00 2.55 H new ATOM 0 HG22 VAL A 113 6.373 -9.283 5.952 1.00 2.55 H new ATOM 0 HG23 VAL A 113 5.982 -8.848 4.271 1.00 2.55 H new ATOM 1787 N VAL A 114 1.657 -9.573 6.878 1.00 0.95 N ATOM 1788 CA VAL A 114 0.220 -9.653 7.223 1.00 0.95 C ATOM 1789 C VAL A 114 -0.330 -8.272 7.618 1.00 1.12 C ATOM 1790 O VAL A 114 0.408 -7.359 7.982 1.00 1.57 O ATOM 1791 CB VAL A 114 -0.037 -10.718 8.328 1.00 1.24 C ATOM 1792 CG1 VAL A 114 -1.541 -10.969 8.564 1.00 1.90 C ATOM 1793 CG2 VAL A 114 0.592 -12.071 7.936 1.00 1.35 C ATOM 0 H VAL A 114 2.243 -9.298 7.666 1.00 0.95 H new ATOM 0 HA VAL A 114 -0.322 -9.977 6.335 1.00 0.95 H new ATOM 0 HB VAL A 114 0.413 -10.320 9.237 1.00 1.24 H new ATOM 0 HG11 VAL A 114 -1.667 -11.720 9.344 1.00 1.90 H new ATOM 0 HG12 VAL A 114 -2.021 -10.040 8.874 1.00 1.90 H new ATOM 0 HG13 VAL A 114 -2.000 -11.324 7.641 1.00 1.90 H new ATOM 0 HG21 VAL A 114 0.401 -12.802 8.722 1.00 1.35 H new ATOM 0 HG22 VAL A 114 0.152 -12.419 7.001 1.00 1.35 H new ATOM 0 HG23 VAL A 114 1.667 -11.949 7.808 1.00 1.35 H new ATOM 1803 N LEU A 115 -1.648 -8.093 7.467 1.00 1.00 N ATOM 1804 CA LEU A 115 -2.379 -6.840 7.665 1.00 1.27 C ATOM 1805 C LEU A 115 -3.747 -7.121 8.342 1.00 1.09 C ATOM 1806 O LEU A 115 -4.579 -7.802 7.728 1.00 1.15 O ATOM 1807 CB LEU A 115 -2.608 -6.176 6.286 1.00 1.70 C ATOM 1808 CG LEU A 115 -1.393 -5.958 5.358 1.00 1.37 C ATOM 1809 CD1 LEU A 115 -1.896 -5.458 4.000 1.00 2.52 C ATOM 1810 CD2 LEU A 115 -0.390 -4.929 5.893 1.00 1.74 C ATOM 0 H LEU A 115 -2.263 -8.858 7.189 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.801 -6.177 8.309 1.00 1.27 H new ATOM 0 HB2 LEU A 115 -3.334 -6.782 5.744 1.00 1.70 H new ATOM 0 HB3 LEU A 115 -3.070 -5.204 6.460 1.00 1.70 H new ATOM 0 HG LEU A 115 -0.877 -6.916 5.287 1.00 1.37 H new ATOM 0 HD11 LEU A 115 -1.048 -5.300 3.334 1.00 2.52 H new ATOM 0 HD12 LEU A 115 -2.566 -6.199 3.565 1.00 2.52 H new ATOM 0 HD13 LEU A 115 -2.432 -4.519 4.134 1.00 2.52 H new ATOM 0 HD21 LEU A 115 0.437 -4.827 5.190 1.00 1.74 H new ATOM 0 HD22 LEU A 115 -0.886 -3.966 6.012 1.00 1.74 H new ATOM 0 HD23 LEU A 115 -0.007 -5.262 6.858 1.00 1.74 H new ATOM 1822 N PRO A 116 -4.022 -6.610 9.559 1.00 0.93 N ATOM 1823 CA PRO A 116 -5.362 -6.636 10.142 1.00 0.87 C ATOM 1824 C PRO A 116 -6.294 -5.686 9.383 1.00 0.92 C ATOM 1825 O PRO A 116 -5.858 -4.627 8.931 1.00 1.09 O ATOM 1826 CB PRO A 116 -5.190 -6.205 11.602 1.00 0.83 C ATOM 1827 CG PRO A 116 -3.925 -5.349 11.585 1.00 0.79 C ATOM 1828 CD PRO A 116 -3.085 -5.995 10.488 1.00 0.86 C ATOM 0 HA PRO A 116 -5.815 -7.625 10.079 1.00 0.87 H new ATOM 0 HB2 PRO A 116 -6.051 -5.638 11.955 1.00 0.83 H new ATOM 0 HB3 PRO A 116 -5.082 -7.065 12.263 1.00 0.83 H new ATOM 0 HG2 PRO A 116 -4.147 -4.306 11.361 1.00 0.79 H new ATOM 0 HG3 PRO A 116 -3.414 -5.366 12.547 1.00 0.79 H new ATOM 0 HD2 PRO A 116 -2.469 -5.251 9.982 1.00 0.86 H new ATOM 0 HD3 PRO A 116 -2.407 -6.740 10.906 1.00 0.86 H new ATOM 1836 N VAL A 117 -7.580 -6.048 9.281 1.00 0.91 N ATOM 1837 CA VAL A 117 -8.641 -5.169 8.759 1.00 0.97 C ATOM 1838 C VAL A 117 -9.331 -4.460 9.931 1.00 1.09 C ATOM 1839 O VAL A 117 -9.967 -5.103 10.770 1.00 1.23 O ATOM 1840 CB VAL A 117 -9.674 -5.937 7.903 1.00 0.95 C ATOM 1841 CG1 VAL A 117 -10.663 -4.948 7.255 1.00 1.02 C ATOM 1842 CG2 VAL A 117 -9.015 -6.775 6.792 1.00 0.92 C ATOM 0 H VAL A 117 -7.919 -6.968 9.561 1.00 0.91 H new ATOM 0 HA VAL A 117 -8.177 -4.434 8.101 1.00 0.97 H new ATOM 0 HB VAL A 117 -10.195 -6.618 8.577 1.00 0.95 H new ATOM 0 HG11 VAL A 117 -11.387 -5.498 6.654 1.00 1.02 H new ATOM 0 HG12 VAL A 117 -11.186 -4.393 8.034 1.00 1.02 H new ATOM 0 HG13 VAL A 117 -10.117 -4.252 6.618 1.00 1.02 H new ATOM 0 HG21 VAL A 117 -9.786 -7.293 6.222 1.00 0.92 H new ATOM 0 HG22 VAL A 117 -8.451 -6.120 6.128 1.00 0.92 H new ATOM 0 HG23 VAL A 117 -8.341 -7.506 7.239 1.00 0.92 H new ATOM 1852 N GLU A 118 -9.206 -3.129 9.976 1.00 1.14 N ATOM 1853 CA GLU A 118 -9.625 -2.294 11.108 1.00 1.25 C ATOM 1854 C GLU A 118 -10.500 -1.114 10.660 1.00 1.48 C ATOM 1855 O GLU A 118 -10.180 -0.429 9.691 1.00 1.69 O ATOM 1856 CB GLU A 118 -8.390 -1.709 11.799 1.00 1.30 C ATOM 1857 CG GLU A 118 -7.301 -2.702 12.212 1.00 2.05 C ATOM 1858 CD GLU A 118 -6.215 -1.893 12.903 1.00 3.13 C ATOM 1859 OE1 GLU A 118 -5.397 -1.287 12.178 1.00 4.21 O ATOM 1860 OE2 GLU A 118 -6.296 -1.750 14.137 1.00 3.74 O ATOM 0 H GLU A 118 -8.802 -2.590 9.210 1.00 1.14 H new ATOM 0 HA GLU A 118 -10.199 -2.933 11.780 1.00 1.25 H new ATOM 0 HB2 GLU A 118 -7.943 -0.972 11.132 1.00 1.30 H new ATOM 0 HB3 GLU A 118 -8.719 -1.174 12.690 1.00 1.30 H new ATOM 0 HG2 GLU A 118 -7.703 -3.462 12.882 1.00 2.05 H new ATOM 0 HG3 GLU A 118 -6.902 -3.223 11.342 1.00 2.05 H new ATOM 1867 N ALA A 119 -11.577 -0.810 11.393 1.00 1.82 N ATOM 1868 CA ALA A 119 -12.375 0.408 11.205 1.00 2.01 C ATOM 1869 C ALA A 119 -11.854 1.545 12.106 1.00 2.94 C ATOM 1870 O ALA A 119 -12.375 1.767 13.197 1.00 3.81 O ATOM 1871 CB ALA A 119 -13.856 0.082 11.449 1.00 2.08 C ATOM 0 H ALA A 119 -11.923 -1.409 12.142 1.00 1.82 H new ATOM 0 HA ALA A 119 -12.278 0.766 10.180 1.00 2.01 H new ATOM 0 HB1 ALA A 119 -14.454 0.983 11.311 1.00 2.08 H new ATOM 0 HB2 ALA A 119 -14.182 -0.682 10.743 1.00 2.08 H new ATOM 0 HB3 ALA A 119 -13.985 -0.287 12.467 1.00 2.08 H new ATOM 1877 N ARG A 120 -10.817 2.244 11.624 1.00 3.27 N ATOM 1878 CA ARG A 120 -10.069 3.322 12.307 1.00 4.37 C ATOM 1879 C ARG A 120 -9.120 4.034 11.329 1.00 4.67 C ATOM 1880 O ARG A 120 -7.966 4.374 11.689 1.00 5.99 O ATOM 1881 CB ARG A 120 -9.427 2.804 13.623 1.00 5.83 C ATOM 1882 CG ARG A 120 -8.648 1.471 13.519 1.00 6.71 C ATOM 1883 CD ARG A 120 -7.174 1.576 13.925 1.00 7.86 C ATOM 1884 NE ARG A 120 -6.517 2.550 13.060 1.00 7.48 N ATOM 1885 CZ ARG A 120 -5.534 2.391 12.212 1.00 8.04 C ATOM 1886 NH1 ARG A 120 -4.806 1.320 12.101 1.00 9.13 N ATOM 1887 NH2 ARG A 120 -5.316 3.390 11.410 1.00 8.11 N ATOM 1888 OXT ARG A 120 -9.574 4.217 10.178 1.00 4.21 O ATOM 0 H ARG A 120 -10.451 2.065 10.689 1.00 3.27 H new ATOM 0 HA ARG A 120 -10.754 4.104 12.634 1.00 4.37 H new ATOM 0 HB2 ARG A 120 -8.749 3.570 13.999 1.00 5.83 H new ATOM 0 HB3 ARG A 120 -10.216 2.684 14.366 1.00 5.83 H new ATOM 0 HG2 ARG A 120 -9.136 0.727 14.149 1.00 6.71 H new ATOM 0 HG3 ARG A 120 -8.706 1.107 12.493 1.00 6.71 H new ATOM 0 HD2 ARG A 120 -7.091 1.881 14.968 1.00 7.86 H new ATOM 0 HD3 ARG A 120 -6.688 0.604 13.837 1.00 7.86 H new ATOM 0 HE ARG A 120 -6.880 3.501 13.127 1.00 7.48 H new ATOM 0 HH11 ARG A 120 -4.984 0.518 12.705 1.00 9.13 H new ATOM 0 HH12 ARG A 120 -4.057 1.282 11.410 1.00 9.13 H new ATOM 0 HH21 ARG A 120 -5.896 4.227 11.469 1.00 8.11 H new ATOM 0 HH22 ARG A 120 -4.565 3.337 10.722 1.00 8.11 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.224 4.687 -3.651 1.00 0.76 CU