USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0.472 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0691 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.52! C(o=-1.5!,f=-4.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -3.73 K(o=-3.7,f=-5.2!) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.04) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.17) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 1.71 (180deg=1.06) USER MOD Single : A 51 TYR OH : rot -18:sc= 1.18 USER MOD Single : A 55 SER OG : rot -87:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0409) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 8.960 -0.369 2.240 1.00 0.00 N ATOM 48 CA ASP A 3 8.398 -0.932 1.011 1.00 0.00 C ATOM 49 C ASP A 3 6.882 -0.764 0.889 1.00 0.00 C ATOM 50 O ASP A 3 6.076 -1.695 1.003 1.00 0.00 O ATOM 51 CB ASP A 3 8.919 -2.351 0.826 1.00 0.00 C ATOM 52 CG ASP A 3 8.219 -3.172 -0.251 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.659 -2.631 -1.228 1.00 0.00 O ATOM 54 OD2 ASP A 3 8.281 -4.418 -0.110 1.00 0.00 O ATOM 0 HA ASP A 3 8.751 -0.349 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.981 -2.301 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.830 -2.879 1.776 1.00 0.00 H new ATOM 59 N TYR A 4 6.500 0.476 0.590 1.00 0.00 N ATOM 60 CA TYR A 4 5.140 0.875 0.269 1.00 0.00 C ATOM 61 C TYR A 4 4.793 0.546 -1.195 1.00 0.00 C ATOM 62 O TYR A 4 4.189 1.358 -1.894 1.00 0.00 O ATOM 63 CB TYR A 4 4.961 2.363 0.613 1.00 0.00 C ATOM 64 CG TYR A 4 5.220 2.780 2.059 1.00 0.00 C ATOM 65 CD1 TYR A 4 5.131 1.867 3.133 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.489 4.136 2.332 1.00 0.00 C ATOM 67 CE1 TYR A 4 5.281 2.309 4.460 1.00 0.00 C ATOM 68 CE2 TYR A 4 5.580 4.594 3.657 1.00 0.00 C ATOM 69 CZ TYR A 4 5.478 3.681 4.726 1.00 0.00 C ATOM 70 OH TYR A 4 5.644 4.129 5.998 1.00 0.00 O ATOM 0 H TYR A 4 7.157 1.256 0.565 1.00 0.00 H new ATOM 0 HA TYR A 4 4.433 0.304 0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.625 2.941 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.941 2.649 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.946 0.822 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.626 4.829 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.245 1.600 5.274 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.728 5.645 3.856 1.00 0.00 H new ATOM 0 HH TYR A 4 5.768 5.101 5.989 1.00 0.00 H new ATOM 80 N TYR A 5 5.138 -0.658 -1.655 1.00 0.00 N ATOM 81 CA TYR A 5 4.596 -1.348 -2.796 1.00 0.00 C ATOM 82 C TYR A 5 4.147 -2.721 -2.279 1.00 0.00 C ATOM 83 O TYR A 5 2.948 -2.999 -2.194 1.00 0.00 O ATOM 84 CB TYR A 5 5.701 -1.488 -3.842 1.00 0.00 C ATOM 85 CG TYR A 5 5.953 -0.257 -4.688 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.958 0.218 -5.563 1.00 0.00 C ATOM 87 CD2 TYR A 5 7.192 0.406 -4.609 1.00 0.00 C ATOM 88 CE1 TYR A 5 5.189 1.365 -6.339 1.00 0.00 C ATOM 89 CE2 TYR A 5 7.437 1.540 -5.399 1.00 0.00 C ATOM 90 CZ TYR A 5 6.433 2.030 -6.258 1.00 0.00 C ATOM 91 OH TYR A 5 6.662 3.121 -7.033 1.00 0.00 O ATOM 0 H TYR A 5 5.862 -1.208 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 5 3.760 -0.823 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.628 -1.755 -3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.450 -2.317 -4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.014 -0.301 -5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.956 0.041 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.418 1.738 -6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.395 2.037 -5.349 1.00 0.00 H new ATOM 0 HH TYR A 5 7.564 3.463 -6.859 1.00 0.00 H new ATOM 101 N GLN A 6 5.084 -3.592 -1.887 1.00 0.00 N ATOM 102 CA GLN A 6 4.791 -4.997 -1.623 1.00 0.00 C ATOM 103 C GLN A 6 4.119 -5.218 -0.273 1.00 0.00 C ATOM 104 O GLN A 6 3.425 -6.223 -0.118 1.00 0.00 O ATOM 105 CB GLN A 6 6.062 -5.843 -1.716 1.00 0.00 C ATOM 106 CG GLN A 6 5.782 -7.292 -2.120 1.00 0.00 C ATOM 107 CD GLN A 6 7.041 -7.976 -2.636 1.00 0.00 C ATOM 108 OE1 GLN A 6 7.155 -8.206 -3.832 1.00 0.00 O ATOM 109 NE2 GLN A 6 7.991 -8.353 -1.795 1.00 0.00 N ATOM 0 H GLN A 6 6.062 -3.340 -1.746 1.00 0.00 H new ATOM 0 HA GLN A 6 4.086 -5.313 -2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.740 -5.393 -2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.572 -5.831 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.392 -7.842 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.012 -7.314 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.895 -8.161 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.819 -8.836 -2.144 1.00 0.00 H new ATOM 118 N THR A 7 4.231 -4.291 0.680 1.00 0.00 N ATOM 119 CA THR A 7 3.404 -4.328 1.891 1.00 0.00 C ATOM 120 C THR A 7 1.922 -4.077 1.584 1.00 0.00 C ATOM 121 O THR A 7 1.056 -4.492 2.355 1.00 0.00 O ATOM 122 CB THR A 7 4.006 -3.358 2.917 1.00 0.00 C ATOM 123 OG1 THR A 7 5.275 -3.882 3.276 1.00 0.00 O ATOM 124 CG2 THR A 7 3.210 -3.178 4.216 1.00 0.00 C ATOM 0 H THR A 7 4.883 -3.508 0.639 1.00 0.00 H new ATOM 0 HA THR A 7 3.416 -5.327 2.326 1.00 0.00 H new ATOM 0 HB THR A 7 4.025 -2.379 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.699 -3.291 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.728 -2.472 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.216 -2.795 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.120 -4.138 4.723 1.00 0.00 H new ATOM 132 N LEU A 8 1.615 -3.493 0.425 1.00 0.00 N ATOM 133 CA LEU A 8 0.267 -3.438 -0.142 1.00 0.00 C ATOM 134 C LEU A 8 0.103 -4.492 -1.255 1.00 0.00 C ATOM 135 O LEU A 8 -0.943 -4.586 -1.885 1.00 0.00 O ATOM 136 CB LEU A 8 -0.022 -1.980 -0.546 1.00 0.00 C ATOM 137 CG LEU A 8 -1.483 -1.478 -0.616 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.255 -1.866 -1.873 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.314 -1.818 0.624 1.00 0.00 C ATOM 0 H LEU A 8 2.314 -3.034 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.497 -3.713 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.510 -1.337 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.424 -1.820 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.343 -0.398 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.266 -1.463 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.750 -1.460 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.301 -2.952 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.326 -1.433 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.350 -2.900 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.858 -1.363 1.503 1.00 0.00 H new ATOM 151 N GLY A 9 1.068 -5.397 -1.439 1.00 0.00 N ATOM 152 CA GLY A 9 0.956 -6.574 -2.298 1.00 0.00 C ATOM 153 C GLY A 9 1.183 -6.277 -3.774 1.00 0.00 C ATOM 154 O GLY A 9 0.655 -6.997 -4.625 1.00 0.00 O ATOM 0 H GLY A 9 1.976 -5.327 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.679 -7.322 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.034 -7.012 -2.172 1.00 0.00 H new ATOM 158 N LEU A 10 1.923 -5.218 -4.092 1.00 0.00 N ATOM 159 CA LEU A 10 2.143 -4.764 -5.458 1.00 0.00 C ATOM 160 C LEU A 10 3.565 -5.048 -5.912 1.00 0.00 C ATOM 161 O LEU A 10 4.450 -5.308 -5.095 1.00 0.00 O ATOM 162 CB LEU A 10 1.872 -3.258 -5.511 1.00 0.00 C ATOM 163 CG LEU A 10 0.366 -2.978 -5.428 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.151 -1.641 -4.742 1.00 0.00 C ATOM 165 CD2 LEU A 10 -0.241 -2.959 -6.825 1.00 0.00 C ATOM 0 H LEU A 10 2.394 -4.643 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 10 1.470 -5.301 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.386 -2.761 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.274 -2.843 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.123 -3.765 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.917 -1.432 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.575 -1.675 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.640 -0.854 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.310 -2.759 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.235 -2.178 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.083 -3.926 -7.303 1.00 0.00 H new ATOM 177 N ALA A 11 3.770 -4.909 -7.223 1.00 0.00 N ATOM 178 CA ALA A 11 5.089 -4.809 -7.815 1.00 0.00 C ATOM 179 C ALA A 11 5.670 -3.435 -7.513 1.00 0.00 C ATOM 180 O ALA A 11 4.949 -2.489 -7.188 1.00 0.00 O ATOM 181 CB ALA A 11 4.977 -4.934 -9.335 1.00 0.00 C ATOM 0 H ALA A 11 3.012 -4.863 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 11 5.721 -5.599 -7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.969 -4.859 -9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.537 -5.898 -9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.345 -4.134 -9.720 1.00 0.00 H new ATOM 187 N ARG A 12 6.975 -3.306 -7.738 1.00 0.00 N ATOM 188 CA ARG A 12 7.625 -2.012 -7.802 1.00 0.00 C ATOM 189 C ARG A 12 7.049 -1.262 -8.992 1.00 0.00 C ATOM 190 O ARG A 12 7.045 -1.773 -10.113 1.00 0.00 O ATOM 191 CB ARG A 12 9.147 -2.175 -7.930 1.00 0.00 C ATOM 192 CG ARG A 12 9.844 -2.509 -6.605 1.00 0.00 C ATOM 193 CD ARG A 12 9.572 -3.924 -6.080 1.00 0.00 C ATOM 194 NE ARG A 12 10.329 -4.184 -4.854 1.00 0.00 N ATOM 195 CZ ARG A 12 11.641 -4.381 -4.717 1.00 0.00 C ATOM 196 NH1 ARG A 12 12.446 -4.447 -5.768 1.00 0.00 N ATOM 197 NH2 ARG A 12 12.140 -4.515 -3.501 1.00 0.00 N ATOM 0 H ARG A 12 7.604 -4.096 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 12 7.443 -1.449 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.360 -2.964 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.570 -1.254 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.919 -2.384 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.527 -1.789 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.506 -4.045 -5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.843 -4.656 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 12 9.782 -4.219 -3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.065 -4.346 -6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.446 -4.598 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.525 -4.467 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.141 -4.666 -3.374 1.00 0.00 H new ATOM 211 N GLY A 13 6.546 -0.063 -8.751 1.00 0.00 N ATOM 212 CA GLY A 13 5.988 0.846 -9.738 1.00 0.00 C ATOM 213 C GLY A 13 4.493 0.611 -9.842 1.00 0.00 C ATOM 214 O GLY A 13 3.718 1.542 -9.617 1.00 0.00 O ATOM 0 H GLY A 13 6.514 0.324 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.187 1.879 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.462 0.686 -10.707 1.00 0.00 H new ATOM 218 N ALA A 14 4.095 -0.637 -10.121 1.00 0.00 N ATOM 219 CA ALA A 14 2.717 -1.019 -10.433 1.00 0.00 C ATOM 220 C ALA A 14 2.111 -0.154 -11.551 1.00 0.00 C ATOM 221 O ALA A 14 2.799 0.635 -12.204 1.00 0.00 O ATOM 222 CB ALA A 14 1.883 -1.003 -9.147 1.00 0.00 C ATOM 0 H ALA A 14 4.741 -1.427 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 14 2.713 -2.034 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.856 -1.287 -9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.304 -1.709 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.895 -0.001 -8.718 1.00 0.00 H new ATOM 228 N SER A 15 0.820 -0.342 -11.811 1.00 0.00 N ATOM 229 CA SER A 15 -0.011 0.644 -12.482 1.00 0.00 C ATOM 230 C SER A 15 -1.005 1.156 -11.454 1.00 0.00 C ATOM 231 O SER A 15 -1.238 0.509 -10.427 1.00 0.00 O ATOM 232 CB SER A 15 -0.686 0.033 -13.720 1.00 0.00 C ATOM 233 OG SER A 15 -1.654 -0.938 -13.363 1.00 0.00 O ATOM 0 H SER A 15 0.319 -1.194 -11.558 1.00 0.00 H new ATOM 0 HA SER A 15 0.579 1.479 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.160 0.823 -14.303 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.070 -0.424 -14.358 1.00 0.00 H new ATOM 0 HG SER A 15 -2.064 -1.304 -14.174 1.00 0.00 H new ATOM 239 N ASP A 16 -1.626 2.300 -11.732 1.00 0.00 N ATOM 240 CA ASP A 16 -2.547 2.903 -10.779 1.00 0.00 C ATOM 241 C ASP A 16 -3.809 2.042 -10.628 1.00 0.00 C ATOM 242 O ASP A 16 -4.519 2.093 -9.622 1.00 0.00 O ATOM 243 CB ASP A 16 -2.923 4.321 -11.215 1.00 0.00 C ATOM 244 CG ASP A 16 -3.712 5.061 -10.133 1.00 0.00 C ATOM 245 OD1 ASP A 16 -3.470 4.868 -8.922 1.00 0.00 O ATOM 246 OD2 ASP A 16 -4.566 5.906 -10.486 1.00 0.00 O ATOM 0 H ASP A 16 -1.509 2.822 -12.601 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.047 2.959 -9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.018 4.880 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.516 4.275 -12.129 1.00 0.00 H new ATOM 251 N GLU A 17 -4.097 1.222 -11.640 1.00 0.00 N ATOM 252 CA GLU A 17 -5.220 0.303 -11.656 1.00 0.00 C ATOM 253 C GLU A 17 -4.867 -0.985 -10.924 1.00 0.00 C ATOM 254 O GLU A 17 -5.759 -1.580 -10.318 1.00 0.00 O ATOM 255 CB GLU A 17 -5.633 0.057 -13.111 1.00 0.00 C ATOM 256 CG GLU A 17 -6.996 -0.645 -13.204 1.00 0.00 C ATOM 257 CD GLU A 17 -7.629 -0.504 -14.588 1.00 0.00 C ATOM 258 OE1 GLU A 17 -7.742 0.644 -15.082 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.079 -1.520 -15.162 1.00 0.00 O ATOM 0 H GLU A 17 -3.536 1.183 -12.491 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.070 0.734 -11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.676 1.008 -13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.876 -0.551 -13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.874 -1.702 -12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.669 -0.227 -12.455 1.00 0.00 H new ATOM 266 N GLU A 18 -3.588 -1.378 -10.889 1.00 0.00 N ATOM 267 CA GLU A 18 -3.150 -2.461 -10.035 1.00 0.00 C ATOM 268 C GLU A 18 -3.239 -1.949 -8.608 1.00 0.00 C ATOM 269 O GLU A 18 -3.688 -2.673 -7.732 1.00 0.00 O ATOM 270 CB GLU A 18 -1.705 -2.890 -10.358 1.00 0.00 C ATOM 271 CG GLU A 18 -1.583 -4.399 -10.602 1.00 0.00 C ATOM 272 CD GLU A 18 -2.055 -5.257 -9.425 1.00 0.00 C ATOM 273 OE1 GLU A 18 -3.258 -5.603 -9.381 1.00 0.00 O ATOM 274 OE2 GLU A 18 -1.226 -5.671 -8.588 1.00 0.00 O ATOM 0 H GLU A 18 -2.846 -0.955 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.777 -3.340 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.358 -2.353 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.051 -2.604 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.163 -4.662 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.542 -4.639 -10.820 1.00 0.00 H new ATOM 281 N ILE A 19 -2.852 -0.690 -8.381 1.00 0.00 N ATOM 282 CA ILE A 19 -2.851 -0.071 -7.076 1.00 0.00 C ATOM 283 C ILE A 19 -4.264 -0.094 -6.504 1.00 0.00 C ATOM 284 O ILE A 19 -4.460 -0.670 -5.436 1.00 0.00 O ATOM 285 CB ILE A 19 -2.135 1.304 -7.139 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.640 1.026 -6.882 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.672 2.335 -6.135 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.337 2.143 -7.239 1.00 0.00 C ATOM 0 H ILE A 19 -2.526 -0.070 -9.123 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.259 -0.633 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.315 1.753 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.515 0.789 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.358 0.135 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.120 3.269 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.730 2.514 -6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.548 1.954 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.354 1.823 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.257 2.370 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.098 3.034 -6.659 1.00 0.00 H new ATOM 300 N LYS A 20 -5.263 0.443 -7.211 1.00 0.00 N ATOM 301 CA LYS A 20 -6.634 0.411 -6.704 1.00 0.00 C ATOM 302 C LYS A 20 -7.148 -1.025 -6.556 1.00 0.00 C ATOM 303 O LYS A 20 -7.871 -1.314 -5.603 1.00 0.00 O ATOM 304 CB LYS A 20 -7.551 1.282 -7.575 1.00 0.00 C ATOM 305 CG LYS A 20 -8.755 1.775 -6.755 1.00 0.00 C ATOM 306 CD LYS A 20 -9.635 2.756 -7.539 1.00 0.00 C ATOM 307 CE LYS A 20 -10.661 2.075 -8.451 1.00 0.00 C ATOM 308 NZ LYS A 20 -11.908 1.732 -7.742 1.00 0.00 N ATOM 0 H LYS A 20 -5.151 0.896 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.640 0.838 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.993 2.134 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.898 0.710 -8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.356 0.919 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.398 2.258 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.161 3.401 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.996 3.399 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.892 2.734 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.224 1.169 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.568 1.274 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.695 1.081 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.342 2.598 -7.364 1.00 0.00 H new ATOM 322 N ARG A 21 -6.771 -1.953 -7.443 1.00 0.00 N ATOM 323 CA ARG A 21 -7.172 -3.356 -7.312 1.00 0.00 C ATOM 324 C ARG A 21 -6.631 -3.923 -6.006 1.00 0.00 C ATOM 325 O ARG A 21 -7.390 -4.479 -5.211 1.00 0.00 O ATOM 326 CB ARG A 21 -6.691 -4.157 -8.532 1.00 0.00 C ATOM 327 CG ARG A 21 -7.343 -5.548 -8.590 1.00 0.00 C ATOM 328 CD ARG A 21 -7.116 -6.254 -9.934 1.00 0.00 C ATOM 329 NE ARG A 21 -5.706 -6.628 -10.129 1.00 0.00 N ATOM 330 CZ ARG A 21 -5.220 -7.776 -10.609 1.00 0.00 C ATOM 331 NH1 ARG A 21 -6.027 -8.723 -11.062 1.00 0.00 N ATOM 332 NH2 ARG A 21 -3.909 -7.974 -10.614 1.00 0.00 N ATOM 0 H ARG A 21 -6.190 -1.757 -8.258 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.259 -3.430 -7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.924 -3.607 -9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.607 -4.264 -8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.942 -6.166 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.414 -5.450 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.738 -7.148 -9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.433 -5.599 -10.746 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.016 -5.925 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.037 -8.582 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.639 -9.593 -11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.283 -7.254 -10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.526 -8.847 -10.978 1.00 0.00 H new ATOM 346 N ALA A 22 -5.328 -3.757 -5.799 1.00 0.00 N ATOM 347 CA ALA A 22 -4.585 -4.117 -4.605 1.00 0.00 C ATOM 348 C ALA A 22 -5.258 -3.529 -3.366 1.00 0.00 C ATOM 349 O ALA A 22 -5.750 -4.287 -2.541 1.00 0.00 O ATOM 350 CB ALA A 22 -3.114 -3.730 -4.734 1.00 0.00 C ATOM 0 H ALA A 22 -4.728 -3.340 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.599 -5.201 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.583 -4.012 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.675 -4.248 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.033 -2.653 -4.883 1.00 0.00 H new ATOM 356 N TYR A 23 -5.333 -2.208 -3.220 1.00 0.00 N ATOM 357 CA TYR A 23 -5.923 -1.526 -2.079 1.00 0.00 C ATOM 358 C TYR A 23 -7.352 -1.986 -1.777 1.00 0.00 C ATOM 359 O TYR A 23 -7.711 -2.132 -0.604 1.00 0.00 O ATOM 360 CB TYR A 23 -5.700 -0.019 -2.335 1.00 0.00 C ATOM 361 CG TYR A 23 -6.834 0.956 -2.153 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.953 0.849 -3.003 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.654 2.116 -1.384 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.894 1.875 -3.092 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.588 3.160 -1.473 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.675 3.052 -2.363 1.00 0.00 C ATOM 367 OH TYR A 23 -9.555 4.079 -2.492 1.00 0.00 O ATOM 0 H TYR A 23 -4.970 -1.563 -3.921 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.443 -1.784 -1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.889 0.303 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.345 0.086 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.084 -0.044 -3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.801 2.205 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.773 1.765 -3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.474 4.043 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.271 4.826 -1.925 1.00 0.00 H new ATOM 377 N ARG A 24 -8.153 -2.319 -2.793 1.00 0.00 N ATOM 378 CA ARG A 24 -9.476 -2.885 -2.575 1.00 0.00 C ATOM 379 C ARG A 24 -9.324 -4.269 -1.947 1.00 0.00 C ATOM 380 O ARG A 24 -9.763 -4.481 -0.814 1.00 0.00 O ATOM 381 CB ARG A 24 -10.260 -2.902 -3.899 1.00 0.00 C ATOM 382 CG ARG A 24 -11.726 -3.299 -3.695 1.00 0.00 C ATOM 383 CD ARG A 24 -12.568 -2.142 -3.150 1.00 0.00 C ATOM 384 NE ARG A 24 -13.896 -2.617 -2.731 1.00 0.00 N ATOM 385 CZ ARG A 24 -14.297 -2.899 -1.485 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.510 -2.678 -0.440 1.00 0.00 N ATOM 387 NH2 ARG A 24 -15.503 -3.416 -1.297 1.00 0.00 N ATOM 0 H ARG A 24 -7.902 -2.204 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.054 -2.274 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.213 -1.916 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.788 -3.600 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.145 -3.636 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.780 -4.142 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.058 -1.681 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.676 -1.373 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.587 -2.746 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.579 -2.286 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.836 -2.900 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.112 -3.594 -2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.822 -3.636 -0.354 1.00 0.00 H new ATOM 401 N ARG A 25 -8.684 -5.208 -2.652 1.00 0.00 N ATOM 402 CA ARG A 25 -8.569 -6.596 -2.204 1.00 0.00 C ATOM 403 C ARG A 25 -7.716 -6.757 -0.947 1.00 0.00 C ATOM 404 O ARG A 25 -7.681 -7.857 -0.403 1.00 0.00 O ATOM 405 CB ARG A 25 -8.035 -7.487 -3.337 1.00 0.00 C ATOM 406 CG ARG A 25 -6.526 -7.345 -3.582 1.00 0.00 C ATOM 407 CD ARG A 25 -6.080 -8.298 -4.682 1.00 0.00 C ATOM 408 NE ARG A 25 -4.626 -8.247 -4.890 1.00 0.00 N ATOM 409 CZ ARG A 25 -3.731 -9.118 -4.415 1.00 0.00 C ATOM 410 NH1 ARG A 25 -4.036 -9.958 -3.433 1.00 0.00 N ATOM 411 NH2 ARG A 25 -2.506 -9.172 -4.917 1.00 0.00 N ATOM 0 H ARG A 25 -8.232 -5.025 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.576 -6.917 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.259 -8.528 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.567 -7.245 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.291 -6.318 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.979 -7.557 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.375 -9.315 -4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.590 -8.045 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.266 -7.474 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.971 -9.947 -3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.336 -10.614 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.237 -8.544 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.832 -9.841 -4.546 1.00 0.00 H new ATOM 425 N GLN A 26 -6.972 -5.732 -0.530 1.00 0.00 N ATOM 426 CA GLN A 26 -6.086 -5.756 0.624 1.00 0.00 C ATOM 427 C GLN A 26 -6.837 -5.362 1.881 1.00 0.00 C ATOM 428 O GLN A 26 -6.704 -6.048 2.895 1.00 0.00 O ATOM 429 CB GLN A 26 -4.893 -4.821 0.389 1.00 0.00 C ATOM 430 CG GLN A 26 -3.811 -5.491 -0.468 1.00 0.00 C ATOM 431 CD GLN A 26 -3.021 -6.610 0.208 1.00 0.00 C ATOM 432 OE1 GLN A 26 -3.505 -7.345 1.056 1.00 0.00 O ATOM 433 NE2 GLN A 26 -1.781 -6.789 -0.204 1.00 0.00 N ATOM 0 H GLN A 26 -6.973 -4.831 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.712 -6.771 0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.235 -3.910 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.467 -4.525 1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.283 -5.896 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.109 -4.725 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.385 -6.171 -0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.218 -7.545 0.185 1.00 0.00 H new ATOM 442 N ALA A 27 -7.681 -4.329 1.811 1.00 0.00 N ATOM 443 CA ALA A 27 -8.662 -4.105 2.860 1.00 0.00 C ATOM 444 C ALA A 27 -9.508 -5.371 2.991 1.00 0.00 C ATOM 445 O ALA A 27 -9.614 -5.929 4.077 1.00 0.00 O ATOM 446 CB ALA A 27 -9.526 -2.883 2.545 1.00 0.00 C ATOM 0 H ALA A 27 -7.701 -3.649 1.051 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.163 -3.899 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.253 -2.735 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.892 -2.000 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.050 -3.041 1.603 1.00 0.00 H new ATOM 452 N LEU A 28 -10.042 -5.872 1.874 1.00 0.00 N ATOM 453 CA LEU A 28 -10.812 -7.116 1.809 1.00 0.00 C ATOM 454 C LEU A 28 -9.950 -8.384 1.957 1.00 0.00 C ATOM 455 O LEU A 28 -10.447 -9.486 1.728 1.00 0.00 O ATOM 456 CB LEU A 28 -11.616 -7.144 0.487 1.00 0.00 C ATOM 457 CG LEU A 28 -13.123 -7.420 0.635 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.448 -8.771 1.278 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.821 -6.292 1.402 1.00 0.00 C ATOM 0 H LEU A 28 -9.948 -5.412 0.968 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.489 -7.126 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.487 -6.186 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.187 -7.906 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.508 -7.461 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.529 -8.890 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.032 -9.573 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.014 -8.812 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.884 -6.516 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.385 -6.204 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.691 -5.352 0.865 1.00 0.00 H new ATOM 471 N ARG A 29 -8.660 -8.275 2.291 1.00 0.00 N ATOM 472 CA ARG A 29 -7.876 -9.355 2.867 1.00 0.00 C ATOM 473 C ARG A 29 -7.872 -9.159 4.372 1.00 0.00 C ATOM 474 O ARG A 29 -8.518 -9.902 5.101 1.00 0.00 O ATOM 475 CB ARG A 29 -6.483 -9.413 2.209 1.00 0.00 C ATOM 476 CG ARG A 29 -5.522 -10.424 2.839 1.00 0.00 C ATOM 477 CD ARG A 29 -6.024 -11.865 2.711 1.00 0.00 C ATOM 478 NE ARG A 29 -5.121 -12.807 3.386 1.00 0.00 N ATOM 479 CZ ARG A 29 -5.366 -14.101 3.617 1.00 0.00 C ATOM 480 NH1 ARG A 29 -6.495 -14.668 3.205 1.00 0.00 N ATOM 481 NH2 ARG A 29 -4.472 -14.823 4.275 1.00 0.00 N ATOM 0 H ARG A 29 -8.128 -7.414 2.163 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.307 -10.336 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.604 -9.656 1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.031 -8.422 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.545 -10.339 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.384 -10.182 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.023 -11.944 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.109 -12.131 1.657 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.225 -12.440 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.190 -14.115 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.666 -15.656 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.607 -14.391 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.648 -15.811 4.457 1.00 0.00 H new ATOM 495 N TYR A 30 -7.181 -8.129 4.837 1.00 0.00 N ATOM 496 CA TYR A 30 -6.737 -7.998 6.213 1.00 0.00 C ATOM 497 C TYR A 30 -7.824 -7.431 7.133 1.00 0.00 C ATOM 498 O TYR A 30 -7.554 -7.205 8.314 1.00 0.00 O ATOM 499 CB TYR A 30 -5.479 -7.118 6.194 1.00 0.00 C ATOM 500 CG TYR A 30 -4.246 -7.856 5.714 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.496 -8.574 6.653 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.844 -7.850 4.366 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.351 -9.291 6.280 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.681 -8.545 3.980 1.00 0.00 C ATOM 505 CZ TYR A 30 -1.925 -9.255 4.938 1.00 0.00 C ATOM 506 OH TYR A 30 -0.779 -9.897 4.589 1.00 0.00 O ATOM 0 H TYR A 30 -6.907 -7.341 4.250 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.512 -8.981 6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.654 -6.257 5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.297 -6.732 7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.806 -8.575 7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.425 -7.315 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.802 -9.864 7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.366 -8.535 2.947 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.619 -9.782 3.629 1.00 0.00 H new ATOM 516 N HIS A 31 -9.039 -7.204 6.625 1.00 0.00 N ATOM 517 CA HIS A 31 -10.220 -6.823 7.390 1.00 0.00 C ATOM 518 C HIS A 31 -10.314 -7.745 8.617 1.00 0.00 C ATOM 519 O HIS A 31 -10.163 -8.966 8.470 1.00 0.00 O ATOM 520 CB HIS A 31 -11.467 -6.976 6.498 1.00 0.00 C ATOM 521 CG HIS A 31 -12.419 -5.826 6.529 1.00 0.00 C ATOM 522 ND1 HIS A 31 -13.642 -5.807 7.143 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.301 -4.678 5.807 1.00 0.00 C ATOM 524 CE1 HIS A 31 -14.228 -4.639 6.863 1.00 0.00 C ATOM 525 NE2 HIS A 31 -13.449 -3.908 6.038 1.00 0.00 N ATOM 0 H HIS A 31 -9.230 -7.285 5.626 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.155 -5.786 7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.141 -7.129 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.001 -7.877 6.800 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.471 -4.409 5.170 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.189 -4.325 7.243 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.654 -2.983 5.660 1.00 0.00 H new ATOM 533 N PRO A 32 -10.582 -7.211 9.818 1.00 0.00 N ATOM 534 CA PRO A 32 -10.552 -8.007 11.039 1.00 0.00 C ATOM 535 C PRO A 32 -11.672 -9.042 11.032 1.00 0.00 C ATOM 536 O PRO A 32 -11.514 -10.134 11.578 1.00 0.00 O ATOM 537 CB PRO A 32 -10.705 -7.014 12.189 1.00 0.00 C ATOM 538 CG PRO A 32 -11.419 -5.828 11.547 1.00 0.00 C ATOM 539 CD PRO A 32 -10.965 -5.837 10.093 1.00 0.00 C ATOM 0 HA PRO A 32 -9.623 -8.569 11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.287 -7.436 13.008 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.738 -6.725 12.600 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.502 -5.930 11.623 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.152 -4.893 12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.766 -5.512 9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.127 -5.157 9.939 1.00 0.00 H new ATOM 547 N ASP A 33 -12.777 -8.728 10.357 1.00 0.00 N ATOM 548 CA ASP A 33 -13.908 -9.622 10.175 1.00 0.00 C ATOM 549 C ASP A 33 -13.698 -10.584 9.001 1.00 0.00 C ATOM 550 O ASP A 33 -14.418 -11.581 8.911 1.00 0.00 O ATOM 551 CB ASP A 33 -15.208 -8.808 10.010 1.00 0.00 C ATOM 552 CG ASP A 33 -15.290 -7.955 8.747 1.00 0.00 C ATOM 553 OD1 ASP A 33 -14.747 -8.320 7.685 1.00 0.00 O ATOM 554 OD2 ASP A 33 -15.848 -6.840 8.816 1.00 0.00 O ATOM 0 H ASP A 33 -12.909 -7.820 9.912 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.995 -10.238 11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.052 -9.498 10.018 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.321 -8.156 10.876 1.00 0.00 H new ATOM 559 N LYS A 34 -12.714 -10.333 8.126 1.00 0.00 N ATOM 560 CA LYS A 34 -12.525 -11.087 6.895 1.00 0.00 C ATOM 561 C LYS A 34 -11.565 -12.215 7.229 1.00 0.00 C ATOM 562 O LYS A 34 -11.943 -13.381 7.124 1.00 0.00 O ATOM 563 CB LYS A 34 -11.950 -10.196 5.776 1.00 0.00 C ATOM 564 CG LYS A 34 -11.421 -10.950 4.549 1.00 0.00 C ATOM 565 CD LYS A 34 -12.545 -11.545 3.691 1.00 0.00 C ATOM 566 CE LYS A 34 -12.856 -13.012 4.030 1.00 0.00 C ATOM 567 NZ LYS A 34 -14.290 -13.265 4.296 1.00 0.00 N ATOM 0 H LYS A 34 -12.025 -9.593 8.261 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.476 -11.471 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.726 -9.503 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.140 -9.596 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.825 -10.271 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.757 -11.750 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.448 -10.949 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.267 -11.473 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.531 -13.644 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.275 -13.306 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.430 -14.271 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.601 -12.687 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.848 -13.015 3.455 1.00 0.00 H new ATOM 581 N ASN A 35 -10.320 -11.873 7.574 1.00 0.00 N ATOM 582 CA ASN A 35 -9.266 -12.864 7.754 1.00 0.00 C ATOM 583 C ASN A 35 -9.472 -13.546 9.086 1.00 0.00 C ATOM 584 O ASN A 35 -9.276 -14.755 9.190 1.00 0.00 O ATOM 585 CB ASN A 35 -7.864 -12.227 7.699 1.00 0.00 C ATOM 586 CG ASN A 35 -7.250 -12.268 6.303 1.00 0.00 C ATOM 587 OD1 ASN A 35 -7.829 -12.786 5.350 1.00 0.00 O ATOM 588 ND2 ASN A 35 -6.056 -11.726 6.137 1.00 0.00 N ATOM 0 H ASN A 35 -10.021 -10.911 7.734 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.323 -13.587 6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.927 -11.191 8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.206 -12.747 8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.614 -11.737 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.576 -11.296 6.928 1.00 0.00 H new ATOM 595 N LYS A 36 -9.873 -12.770 10.096 1.00 0.00 N ATOM 596 CA LYS A 36 -10.045 -13.166 11.484 1.00 0.00 C ATOM 597 C LYS A 36 -8.751 -13.669 12.138 1.00 0.00 C ATOM 598 O LYS A 36 -8.779 -13.999 13.321 1.00 0.00 O ATOM 599 CB LYS A 36 -11.239 -14.143 11.619 1.00 0.00 C ATOM 600 CG LYS A 36 -12.515 -13.543 12.229 1.00 0.00 C ATOM 601 CD LYS A 36 -12.531 -13.535 13.769 1.00 0.00 C ATOM 602 CE LYS A 36 -11.639 -12.486 14.444 1.00 0.00 C ATOM 603 NZ LYS A 36 -12.058 -11.106 14.122 1.00 0.00 N ATOM 0 H LYS A 36 -10.099 -11.786 9.950 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.293 -12.273 12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.479 -14.536 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.927 -14.989 12.231 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.631 -12.520 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.376 -14.106 11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.557 -13.379 14.101 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.229 -14.521 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.666 -12.629 15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.606 -12.633 14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.746 -10.463 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.629 -10.814 13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.094 -11.068 14.041 1.00 0.00 H new ATOM 617 N GLU A 37 -7.629 -13.731 11.422 1.00 0.00 N ATOM 618 CA GLU A 37 -6.314 -14.053 11.930 1.00 0.00 C ATOM 619 C GLU A 37 -5.788 -12.870 12.762 1.00 0.00 C ATOM 620 O GLU A 37 -5.903 -11.731 12.301 1.00 0.00 O ATOM 621 CB GLU A 37 -5.430 -14.350 10.713 1.00 0.00 C ATOM 622 CG GLU A 37 -3.988 -14.670 11.094 1.00 0.00 C ATOM 623 CD GLU A 37 -3.096 -14.753 9.859 1.00 0.00 C ATOM 624 OE1 GLU A 37 -2.679 -13.684 9.357 1.00 0.00 O ATOM 625 OE2 GLU A 37 -2.841 -15.882 9.380 1.00 0.00 O ATOM 0 H GLU A 37 -7.622 -13.546 10.419 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.324 -14.922 12.588 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.850 -15.191 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.442 -13.491 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.609 -13.903 11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.953 -15.616 11.635 1.00 0.00 H new ATOM 632 N PRO A 38 -5.160 -13.083 13.936 1.00 0.00 N ATOM 633 CA PRO A 38 -4.637 -11.992 14.767 1.00 0.00 C ATOM 634 C PRO A 38 -3.356 -11.331 14.271 1.00 0.00 C ATOM 635 O PRO A 38 -3.002 -10.204 14.625 1.00 0.00 O ATOM 636 CB PRO A 38 -4.425 -12.599 16.151 1.00 0.00 C ATOM 637 CG PRO A 38 -4.093 -14.046 15.820 1.00 0.00 C ATOM 638 CD PRO A 38 -4.994 -14.354 14.625 1.00 0.00 C ATOM 0 HA PRO A 38 -5.357 -11.174 14.749 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.615 -12.109 16.691 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.317 -12.518 16.772 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.039 -14.169 15.570 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.301 -14.708 16.661 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.541 -15.100 13.972 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.954 -14.755 14.949 1.00 0.00 H new ATOM 646 N GLY A 39 -2.706 -12.077 13.411 1.00 0.00 N ATOM 647 CA GLY A 39 -1.560 -11.718 12.596 1.00 0.00 C ATOM 648 C GLY A 39 -2.022 -10.645 11.634 1.00 0.00 C ATOM 649 O GLY A 39 -1.681 -9.472 11.792 1.00 0.00 O ATOM 0 H GLY A 39 -2.989 -13.043 13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.743 -11.353 13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.184 -12.586 12.054 1.00 0.00 H new ATOM 653 N ALA A 40 -2.888 -11.052 10.704 1.00 0.00 N ATOM 654 CA ALA A 40 -3.565 -10.174 9.772 1.00 0.00 C ATOM 655 C ALA A 40 -4.189 -8.959 10.457 1.00 0.00 C ATOM 656 O ALA A 40 -4.097 -7.853 9.932 1.00 0.00 O ATOM 657 CB ALA A 40 -4.661 -10.954 9.045 1.00 0.00 C ATOM 0 H ALA A 40 -3.139 -12.033 10.582 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.816 -9.808 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.172 -10.295 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.215 -11.787 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.378 -11.336 9.771 1.00 0.00 H new ATOM 663 N GLU A 41 -4.845 -9.159 11.599 1.00 0.00 N ATOM 664 CA GLU A 41 -5.540 -8.090 12.294 1.00 0.00 C ATOM 665 C GLU A 41 -4.583 -6.956 12.659 1.00 0.00 C ATOM 666 O GLU A 41 -4.901 -5.789 12.431 1.00 0.00 O ATOM 667 CB GLU A 41 -6.289 -8.675 13.494 1.00 0.00 C ATOM 668 CG GLU A 41 -7.038 -7.630 14.326 1.00 0.00 C ATOM 669 CD GLU A 41 -6.304 -7.344 15.635 1.00 0.00 C ATOM 670 OE1 GLU A 41 -6.542 -8.081 16.622 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.474 -6.411 15.671 1.00 0.00 O ATOM 0 H GLU A 41 -4.906 -10.065 12.063 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.283 -7.636 11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.001 -9.420 13.138 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.578 -9.195 14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.140 -6.708 13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.046 -7.985 14.540 1.00 0.00 H new ATOM 678 N GLU A 42 -3.394 -7.282 13.163 1.00 0.00 N ATOM 679 CA GLU A 42 -2.377 -6.274 13.423 1.00 0.00 C ATOM 680 C GLU A 42 -1.863 -5.703 12.102 1.00 0.00 C ATOM 681 O GLU A 42 -1.716 -4.493 11.936 1.00 0.00 O ATOM 682 CB GLU A 42 -1.224 -6.871 14.233 1.00 0.00 C ATOM 683 CG GLU A 42 -0.265 -5.780 14.729 1.00 0.00 C ATOM 684 CD GLU A 42 -0.674 -5.239 16.097 1.00 0.00 C ATOM 685 OE1 GLU A 42 -0.185 -5.785 17.116 1.00 0.00 O ATOM 686 OE2 GLU A 42 -1.421 -4.238 16.156 1.00 0.00 O ATOM 0 H GLU A 42 -3.115 -8.235 13.398 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.821 -5.468 14.007 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.623 -7.422 15.085 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.677 -7.586 13.618 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.746 -6.184 14.786 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.241 -4.963 14.008 1.00 0.00 H new ATOM 693 N LYS A 43 -1.577 -6.578 11.142 1.00 0.00 N ATOM 694 CA LYS A 43 -0.977 -6.242 9.872 1.00 0.00 C ATOM 695 C LYS A 43 -1.851 -5.289 9.060 1.00 0.00 C ATOM 696 O LYS A 43 -1.322 -4.540 8.250 1.00 0.00 O ATOM 697 CB LYS A 43 -0.676 -7.545 9.126 1.00 0.00 C ATOM 698 CG LYS A 43 0.818 -7.891 9.166 1.00 0.00 C ATOM 699 CD LYS A 43 1.286 -8.365 10.553 1.00 0.00 C ATOM 700 CE LYS A 43 2.812 -8.468 10.644 1.00 0.00 C ATOM 701 NZ LYS A 43 3.458 -7.148 10.809 1.00 0.00 N ATOM 0 H LYS A 43 -1.767 -7.575 11.239 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.045 -5.701 10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.250 -8.359 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.001 -7.454 8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.025 -8.670 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.397 -7.015 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.924 -7.673 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.844 -9.337 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.081 -9.108 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.195 -8.947 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.485 -7.275 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.267 -6.561 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.077 -6.678 11.655 1.00 0.00 H new ATOM 715 N PHE A 44 -3.158 -5.246 9.296 1.00 0.00 N ATOM 716 CA PHE A 44 -4.071 -4.249 8.761 1.00 0.00 C ATOM 717 C PHE A 44 -3.597 -2.829 9.095 1.00 0.00 C ATOM 718 O PHE A 44 -3.690 -1.927 8.270 1.00 0.00 O ATOM 719 CB PHE A 44 -5.455 -4.491 9.343 1.00 0.00 C ATOM 720 CG PHE A 44 -6.546 -3.620 8.760 1.00 0.00 C ATOM 721 CD1 PHE A 44 -7.218 -4.040 7.599 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.895 -2.399 9.366 1.00 0.00 C ATOM 723 CE1 PHE A 44 -8.267 -3.278 7.065 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.922 -1.614 8.813 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.608 -2.059 7.669 1.00 0.00 C ATOM 0 H PHE A 44 -3.626 -5.932 9.888 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.101 -4.340 7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.722 -5.536 9.188 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.415 -4.328 10.420 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.923 -4.959 7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.376 -2.066 10.253 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.807 -3.626 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.184 -0.670 9.267 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.403 -1.458 7.253 1.00 0.00 H new ATOM 735 N LYS A 45 -3.148 -2.582 10.328 1.00 0.00 N ATOM 736 CA LYS A 45 -2.622 -1.279 10.716 1.00 0.00 C ATOM 737 C LYS A 45 -1.432 -0.903 9.825 1.00 0.00 C ATOM 738 O LYS A 45 -1.292 0.263 9.459 1.00 0.00 O ATOM 739 CB LYS A 45 -2.276 -1.215 12.217 1.00 0.00 C ATOM 740 CG LYS A 45 -3.508 -1.306 13.143 1.00 0.00 C ATOM 741 CD LYS A 45 -3.951 -2.740 13.492 1.00 0.00 C ATOM 742 CE LYS A 45 -5.322 -2.725 14.171 1.00 0.00 C ATOM 743 NZ LYS A 45 -5.894 -4.075 14.343 1.00 0.00 N ATOM 0 H LYS A 45 -3.140 -3.275 11.076 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.405 -0.536 10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.591 -2.028 12.458 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.748 -0.283 12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.289 -0.773 14.068 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.341 -0.789 12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.993 -3.345 12.586 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.217 -3.204 14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.233 -2.247 15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.008 -2.118 13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.920 -4.000 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.714 -4.640 13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.452 -4.537 15.163 1.00 0.00 H new ATOM 757 N GLU A 46 -0.638 -1.886 9.397 1.00 0.00 N ATOM 758 CA GLU A 46 0.458 -1.764 8.471 1.00 0.00 C ATOM 759 C GLU A 46 -0.048 -1.556 7.036 1.00 0.00 C ATOM 760 O GLU A 46 0.531 -0.761 6.295 1.00 0.00 O ATOM 761 CB GLU A 46 1.277 -3.060 8.585 1.00 0.00 C ATOM 762 CG GLU A 46 2.717 -2.739 8.920 1.00 0.00 C ATOM 763 CD GLU A 46 3.679 -3.886 8.603 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.469 -5.039 9.046 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.725 -3.616 7.963 1.00 0.00 O ATOM 0 H GLU A 46 -0.763 -2.846 9.717 1.00 0.00 H new ATOM 0 HA GLU A 46 1.070 -0.894 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.851 -3.702 9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.229 -3.613 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.024 -1.852 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.791 -2.493 9.979 1.00 0.00 H new ATOM 772 N ILE A 47 -1.151 -2.217 6.651 1.00 0.00 N ATOM 773 CA ILE A 47 -1.845 -2.001 5.381 1.00 0.00 C ATOM 774 C ILE A 47 -2.164 -0.517 5.282 1.00 0.00 C ATOM 775 O ILE A 47 -1.815 0.082 4.274 1.00 0.00 O ATOM 776 CB ILE A 47 -3.122 -2.873 5.224 1.00 0.00 C ATOM 777 CG1 ILE A 47 -2.784 -4.373 5.173 1.00 0.00 C ATOM 778 CG2 ILE A 47 -4.003 -2.460 4.030 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.447 -4.897 3.787 1.00 0.00 C ATOM 0 H ILE A 47 -1.591 -2.932 7.230 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.196 -2.312 4.563 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.716 -2.688 6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.940 -4.565 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.631 -4.937 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.876 -3.110 3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.327 -1.427 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.430 -2.550 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.222 -5.962 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.297 -4.741 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.580 -4.364 3.397 1.00 0.00 H new ATOM 791 N ALA A 48 -2.794 0.071 6.305 1.00 0.00 N ATOM 792 CA ALA A 48 -3.273 1.446 6.300 1.00 0.00 C ATOM 793 C ALA A 48 -2.128 2.434 6.062 1.00 0.00 C ATOM 794 O ALA A 48 -2.320 3.421 5.349 1.00 0.00 O ATOM 795 CB ALA A 48 -3.977 1.743 7.623 1.00 0.00 C ATOM 0 H ALA A 48 -2.987 -0.415 7.181 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.981 1.566 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.336 2.772 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.821 1.064 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.277 1.605 8.447 1.00 0.00 H new ATOM 801 N GLU A 49 -0.945 2.166 6.618 1.00 0.00 N ATOM 802 CA GLU A 49 0.224 3.025 6.425 1.00 0.00 C ATOM 803 C GLU A 49 0.603 3.066 4.942 1.00 0.00 C ATOM 804 O GLU A 49 0.795 4.140 4.371 1.00 0.00 O ATOM 805 CB GLU A 49 1.401 2.530 7.283 1.00 0.00 C ATOM 806 CG GLU A 49 2.490 3.606 7.459 1.00 0.00 C ATOM 807 CD GLU A 49 2.060 4.748 8.389 1.00 0.00 C ATOM 808 OE1 GLU A 49 1.434 4.469 9.439 1.00 0.00 O ATOM 809 OE2 GLU A 49 2.375 5.934 8.137 1.00 0.00 O ATOM 0 H GLU A 49 -0.771 1.354 7.210 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.021 4.038 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.031 2.227 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.839 1.646 6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.392 3.141 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.748 4.017 6.483 1.00 0.00 H new ATOM 816 N ALA A 50 0.636 1.898 4.290 1.00 0.00 N ATOM 817 CA ALA A 50 0.908 1.826 2.863 1.00 0.00 C ATOM 818 C ALA A 50 -0.312 2.312 2.060 1.00 0.00 C ATOM 819 O ALA A 50 -0.162 2.788 0.944 1.00 0.00 O ATOM 820 CB ALA A 50 1.279 0.383 2.502 1.00 0.00 C ATOM 0 H ALA A 50 0.477 0.994 4.734 1.00 0.00 H new ATOM 0 HA ALA A 50 1.743 2.478 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.485 0.317 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.165 0.084 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.451 -0.279 2.753 1.00 0.00 H new ATOM 826 N TYR A 51 -1.525 2.232 2.602 1.00 0.00 N ATOM 827 CA TYR A 51 -2.776 2.576 1.936 1.00 0.00 C ATOM 828 C TYR A 51 -2.810 4.068 1.639 1.00 0.00 C ATOM 829 O TYR A 51 -3.254 4.471 0.566 1.00 0.00 O ATOM 830 CB TYR A 51 -3.932 2.213 2.872 1.00 0.00 C ATOM 831 CG TYR A 51 -5.183 1.680 2.234 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.234 0.305 1.964 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.330 2.476 2.082 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.419 -0.288 1.522 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.527 1.891 1.628 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.569 0.508 1.332 1.00 0.00 C ATOM 837 OH TYR A 51 -8.713 -0.063 0.865 1.00 0.00 O ATOM 0 H TYR A 51 -1.667 1.911 3.560 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.863 2.030 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.571 1.470 3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.196 3.102 3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.350 -0.300 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.294 3.531 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.455 -1.350 1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.412 2.497 1.506 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.502 -0.925 0.449 1.00 0.00 H new ATOM 847 N ASP A 52 -2.332 4.877 2.589 1.00 0.00 N ATOM 848 CA ASP A 52 -2.177 6.324 2.442 1.00 0.00 C ATOM 849 C ASP A 52 -1.367 6.649 1.191 1.00 0.00 C ATOM 850 O ASP A 52 -1.778 7.470 0.371 1.00 0.00 O ATOM 851 CB ASP A 52 -1.467 6.885 3.676 1.00 0.00 C ATOM 852 CG ASP A 52 -1.180 8.380 3.537 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.121 9.155 3.258 1.00 0.00 O ATOM 854 OD2 ASP A 52 -0.022 8.789 3.785 1.00 0.00 O ATOM 0 H ASP A 52 -2.036 4.534 3.503 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.163 6.778 2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.083 6.714 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.531 6.348 3.832 1.00 0.00 H new ATOM 859 N VAL A 53 -0.245 5.943 1.026 1.00 0.00 N ATOM 860 CA VAL A 53 0.610 6.049 -0.144 1.00 0.00 C ATOM 861 C VAL A 53 -0.168 5.579 -1.362 1.00 0.00 C ATOM 862 O VAL A 53 -0.406 6.372 -2.266 1.00 0.00 O ATOM 863 CB VAL A 53 1.895 5.217 0.024 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.764 5.298 -1.227 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.735 5.629 1.224 1.00 0.00 C ATOM 0 H VAL A 53 0.094 5.273 1.716 1.00 0.00 H new ATOM 0 HA VAL A 53 0.910 7.089 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 53 1.555 4.195 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.665 4.702 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.208 4.914 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.041 6.336 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.624 5.000 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.034 6.672 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.150 5.511 2.136 1.00 0.00 H new ATOM 875 N LEU A 54 -0.523 4.294 -1.424 1.00 0.00 N ATOM 876 CA LEU A 54 -1.130 3.595 -2.547 1.00 0.00 C ATOM 877 C LEU A 54 -2.592 4.026 -2.773 1.00 0.00 C ATOM 878 O LEU A 54 -3.425 3.230 -3.209 1.00 0.00 O ATOM 879 CB LEU A 54 -0.993 2.090 -2.327 1.00 0.00 C ATOM 880 CG LEU A 54 0.391 1.452 -2.556 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.345 2.111 -3.557 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.154 1.178 -1.264 1.00 0.00 C ATOM 0 H LEU A 54 -0.381 3.673 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.604 3.864 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.296 1.873 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.705 1.590 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 54 0.077 0.524 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.274 1.542 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.882 2.129 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.559 3.131 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.119 0.729 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.310 2.114 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.579 0.495 -0.640 1.00 0.00 H new ATOM 894 N SER A 55 -2.940 5.279 -2.488 1.00 0.00 N ATOM 895 CA SER A 55 -4.186 5.863 -2.941 1.00 0.00 C ATOM 896 C SER A 55 -4.049 7.312 -3.408 1.00 0.00 C ATOM 897 O SER A 55 -4.985 7.800 -4.044 1.00 0.00 O ATOM 898 CB SER A 55 -5.266 5.634 -1.887 1.00 0.00 C ATOM 899 OG SER A 55 -4.922 6.141 -0.609 1.00 0.00 O ATOM 0 H SER A 55 -2.361 5.912 -1.936 1.00 0.00 H new ATOM 0 HA SER A 55 -4.501 5.349 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.192 6.103 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.462 4.565 -1.805 1.00 0.00 H new ATOM 0 HG SER A 55 -4.421 5.461 -0.111 1.00 0.00 H new ATOM 905 N ASP A 56 -2.897 7.973 -3.238 1.00 0.00 N ATOM 906 CA ASP A 56 -2.628 9.278 -3.838 1.00 0.00 C ATOM 907 C ASP A 56 -1.326 9.238 -4.649 1.00 0.00 C ATOM 908 O ASP A 56 -0.297 8.795 -4.127 1.00 0.00 O ATOM 909 CB ASP A 56 -2.545 10.349 -2.758 1.00 0.00 C ATOM 910 CG ASP A 56 -2.162 11.675 -3.405 1.00 0.00 C ATOM 911 OD1 ASP A 56 -3.051 12.368 -3.952 1.00 0.00 O ATOM 912 OD2 ASP A 56 -0.956 11.997 -3.418 1.00 0.00 O ATOM 0 H ASP A 56 -2.125 7.613 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.448 9.524 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.503 10.442 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.807 10.070 -2.006 1.00 0.00 H new ATOM 917 N PRO A 57 -1.316 9.678 -5.919 1.00 0.00 N ATOM 918 CA PRO A 57 -0.131 9.610 -6.763 1.00 0.00 C ATOM 919 C PRO A 57 1.012 10.474 -6.227 1.00 0.00 C ATOM 920 O PRO A 57 2.165 10.051 -6.307 1.00 0.00 O ATOM 921 CB PRO A 57 -0.581 10.069 -8.154 1.00 0.00 C ATOM 922 CG PRO A 57 -1.796 10.947 -7.864 1.00 0.00 C ATOM 923 CD PRO A 57 -2.424 10.251 -6.663 1.00 0.00 C ATOM 0 HA PRO A 57 0.270 8.597 -6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.204 10.626 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.840 9.224 -8.791 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.510 11.973 -7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.479 10.988 -8.712 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.984 10.957 -6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.124 9.478 -6.980 1.00 0.00 H new ATOM 931 N ARG A 58 0.731 11.660 -5.671 1.00 0.00 N ATOM 932 CA ARG A 58 1.772 12.586 -5.219 1.00 0.00 C ATOM 933 C ARG A 58 2.499 12.057 -3.988 1.00 0.00 C ATOM 934 O ARG A 58 3.667 12.390 -3.789 1.00 0.00 O ATOM 935 CB ARG A 58 1.203 13.965 -4.869 1.00 0.00 C ATOM 936 CG ARG A 58 0.281 14.611 -5.916 1.00 0.00 C ATOM 937 CD ARG A 58 -1.186 14.716 -5.467 1.00 0.00 C ATOM 938 NE ARG A 58 -1.710 16.067 -5.733 1.00 0.00 N ATOM 939 CZ ARG A 58 -2.605 16.448 -6.647 1.00 0.00 C ATOM 940 NH1 ARG A 58 -3.268 15.555 -7.374 1.00 0.00 N ATOM 941 NH2 ARG A 58 -2.823 17.746 -6.822 1.00 0.00 N ATOM 0 H ARG A 58 -0.219 12.001 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 58 2.467 12.677 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.650 13.879 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.037 14.642 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.653 15.609 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.329 14.030 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.788 13.976 -5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.264 14.492 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.340 16.810 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.097 14.559 -7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.948 15.866 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.311 18.429 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.502 18.060 -7.515 1.00 0.00 H new ATOM 955 N LYS A 59 1.856 11.191 -3.196 1.00 0.00 N ATOM 956 CA LYS A 59 2.459 10.666 -1.977 1.00 0.00 C ATOM 957 C LYS A 59 3.514 9.668 -2.432 1.00 0.00 C ATOM 958 O LYS A 59 4.665 9.751 -1.996 1.00 0.00 O ATOM 959 CB LYS A 59 1.379 9.975 -1.114 1.00 0.00 C ATOM 960 CG LYS A 59 1.734 9.817 0.372 1.00 0.00 C ATOM 961 CD LYS A 59 2.986 8.996 0.710 1.00 0.00 C ATOM 962 CE LYS A 59 4.196 9.831 1.163 1.00 0.00 C ATOM 963 NZ LYS A 59 3.972 10.459 2.485 1.00 0.00 N ATOM 0 H LYS A 59 0.916 10.842 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 59 2.903 11.452 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.454 10.546 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.180 8.988 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.858 10.813 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.883 9.359 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.737 8.285 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.270 8.414 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.079 9.194 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.400 10.605 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.863 10.869 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.257 11.209 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.638 9.740 3.159 1.00 0.00 H new ATOM 977 N ARG A 60 3.145 8.735 -3.314 1.00 0.00 N ATOM 978 CA ARG A 60 4.094 7.824 -3.907 1.00 0.00 C ATOM 979 C ARG A 60 5.158 8.542 -4.712 1.00 0.00 C ATOM 980 O ARG A 60 6.278 8.061 -4.707 1.00 0.00 O ATOM 981 CB ARG A 60 3.366 6.816 -4.794 1.00 0.00 C ATOM 982 CG ARG A 60 4.032 5.466 -4.575 1.00 0.00 C ATOM 983 CD ARG A 60 3.433 4.385 -5.465 1.00 0.00 C ATOM 984 NE ARG A 60 4.083 4.432 -6.792 1.00 0.00 N ATOM 985 CZ ARG A 60 3.572 4.559 -8.022 1.00 0.00 C ATOM 986 NH1 ARG A 60 2.265 4.604 -8.246 1.00 0.00 N ATOM 987 NH2 ARG A 60 4.399 4.643 -9.053 1.00 0.00 N ATOM 0 H ARG A 60 2.184 8.600 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 60 4.597 7.306 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.308 6.770 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.427 7.110 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.100 5.551 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.927 5.175 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.575 3.404 -5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.358 4.536 -5.568 1.00 0.00 H new ATOM 0 HE ARG A 60 5.100 4.354 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.611 4.541 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.914 4.702 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.407 4.610 -8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.028 4.740 -9.998 1.00 0.00 H new ATOM 1001 N GLU A 61 4.857 9.667 -5.354 1.00 0.00 N ATOM 1002 CA GLU A 61 5.756 10.313 -6.306 1.00 0.00 C ATOM 1003 C GLU A 61 7.128 10.596 -5.695 1.00 0.00 C ATOM 1004 O GLU A 61 8.145 10.441 -6.368 1.00 0.00 O ATOM 1005 CB GLU A 61 5.099 11.605 -6.790 1.00 0.00 C ATOM 1006 CG GLU A 61 5.882 12.287 -7.909 1.00 0.00 C ATOM 1007 CD GLU A 61 5.140 13.513 -8.437 1.00 0.00 C ATOM 1008 OE1 GLU A 61 4.746 14.384 -7.626 1.00 0.00 O ATOM 1009 OE2 GLU A 61 4.959 13.611 -9.674 1.00 0.00 O ATOM 0 H GLU A 61 3.974 10.161 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 61 5.925 9.640 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.091 11.385 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.001 12.293 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.864 12.584 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.048 11.581 -8.723 1.00 0.00 H new ATOM 1016 N ILE A 62 7.166 10.942 -4.407 1.00 0.00 N ATOM 1017 CA ILE A 62 8.406 11.231 -3.691 1.00 0.00 C ATOM 1018 C ILE A 62 9.134 9.902 -3.448 1.00 0.00 C ATOM 1019 O ILE A 62 10.313 9.760 -3.772 1.00 0.00 O ATOM 1020 CB ILE A 62 8.119 11.936 -2.341 1.00 0.00 C ATOM 1021 CG1 ILE A 62 7.167 13.141 -2.492 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.444 12.380 -1.689 1.00 0.00 C ATOM 1023 CD1 ILE A 62 6.757 13.737 -1.146 1.00 0.00 C ATOM 0 H ILE A 62 6.330 11.030 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 62 9.024 11.903 -4.286 1.00 0.00 H new ATOM 0 HB ILE A 62 7.616 11.214 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.652 13.910 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.274 12.829 -3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.235 12.875 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.073 11.507 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.962 13.072 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.088 14.581 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.246 12.979 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.645 14.077 -0.613 1.00 0.00 H new ATOM 1035 N PHE A 63 8.425 8.921 -2.886 1.00 0.00 N ATOM 1036 CA PHE A 63 8.929 7.587 -2.593 1.00 0.00 C ATOM 1037 C PHE A 63 9.467 6.915 -3.867 1.00 0.00 C ATOM 1038 O PHE A 63 10.450 6.177 -3.812 1.00 0.00 O ATOM 1039 CB PHE A 63 7.783 6.797 -1.934 1.00 0.00 C ATOM 1040 CG PHE A 63 8.114 5.369 -1.557 1.00 0.00 C ATOM 1041 CD1 PHE A 63 8.183 4.371 -2.549 1.00 0.00 C ATOM 1042 CD2 PHE A 63 8.331 5.029 -0.210 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.555 3.062 -2.204 1.00 0.00 C ATOM 1044 CE2 PHE A 63 8.666 3.712 0.131 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.826 2.737 -0.867 1.00 0.00 C ATOM 0 H PHE A 63 7.449 9.043 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 63 9.774 7.625 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.467 7.328 -1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.932 6.788 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.950 4.613 -3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.240 5.781 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.633 2.304 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.802 3.445 1.169 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.156 1.742 -0.606 1.00 0.00 H new ATOM 1055 N ASP A 64 8.833 7.162 -5.009 1.00 0.00 N ATOM 1056 CA ASP A 64 9.204 6.647 -6.318 1.00 0.00 C ATOM 1057 C ASP A 64 10.415 7.407 -6.858 1.00 0.00 C ATOM 1058 O ASP A 64 11.424 6.794 -7.198 1.00 0.00 O ATOM 1059 CB ASP A 64 7.999 6.728 -7.272 1.00 0.00 C ATOM 1060 CG ASP A 64 8.130 5.769 -8.458 1.00 0.00 C ATOM 1061 OD1 ASP A 64 9.266 5.430 -8.853 1.00 0.00 O ATOM 1062 OD2 ASP A 64 7.079 5.309 -8.957 1.00 0.00 O ATOM 0 H ASP A 64 8.005 7.757 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 64 9.489 5.598 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.087 6.499 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.900 7.748 -7.642 1.00 0.00 H new ATOM 1067 N ARG A 65 10.395 8.749 -6.830 1.00 0.00 N ATOM 1068 CA ARG A 65 11.416 9.591 -7.472 1.00 0.00 C ATOM 1069 C ARG A 65 12.748 9.330 -6.794 1.00 0.00 C ATOM 1070 O ARG A 65 13.767 9.136 -7.458 1.00 0.00 O ATOM 1071 CB ARG A 65 11.049 11.079 -7.325 1.00 0.00 C ATOM 1072 CG ARG A 65 12.216 12.085 -7.421 1.00 0.00 C ATOM 1073 CD ARG A 65 11.743 13.538 -7.568 1.00 0.00 C ATOM 1074 NE ARG A 65 10.836 13.965 -6.482 1.00 0.00 N ATOM 1075 CZ ARG A 65 9.533 14.260 -6.604 1.00 0.00 C ATOM 1076 NH1 ARG A 65 8.895 14.082 -7.756 1.00 0.00 N ATOM 1077 NH2 ARG A 65 8.854 14.729 -5.560 1.00 0.00 N ATOM 0 H ARG A 65 9.665 9.283 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 65 11.475 9.350 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.318 11.329 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.557 11.216 -6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.837 11.999 -6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.844 11.825 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.612 14.196 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.234 13.653 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 65 11.240 14.043 -5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.396 13.716 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.904 14.312 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.324 14.865 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.863 14.953 -5.655 1.00 0.00 H new ATOM 1091 N TYR A 66 12.738 9.323 -5.470 1.00 0.00 N ATOM 1092 CA TYR A 66 13.960 9.139 -4.718 1.00 0.00 C ATOM 1093 C TYR A 66 14.301 7.654 -4.579 1.00 0.00 C ATOM 1094 O TYR A 66 15.484 7.322 -4.548 1.00 0.00 O ATOM 1095 CB TYR A 66 13.801 9.773 -3.344 1.00 0.00 C ATOM 1096 CG TYR A 66 13.875 11.287 -3.295 1.00 0.00 C ATOM 1097 CD1 TYR A 66 12.731 12.085 -3.510 1.00 0.00 C ATOM 1098 CD2 TYR A 66 15.079 11.888 -2.892 1.00 0.00 C ATOM 1099 CE1 TYR A 66 12.775 13.466 -3.256 1.00 0.00 C ATOM 1100 CE2 TYR A 66 15.132 13.265 -2.639 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.972 14.049 -2.789 1.00 0.00 C ATOM 1102 OH TYR A 66 13.995 15.359 -2.442 1.00 0.00 O ATOM 0 H TYR A 66 11.900 9.442 -4.901 1.00 0.00 H new ATOM 0 HA TYR A 66 14.779 9.620 -5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.841 9.463 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.574 9.370 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 66 11.819 11.633 -3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.968 11.286 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.899 14.077 -3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.060 13.724 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 66 14.895 15.602 -2.140 1.00 0.00 H new ATOM 1112 N GLY A 67 13.299 6.771 -4.517 1.00 0.00 N ATOM 1113 CA GLY A 67 13.467 5.356 -4.219 1.00 0.00 C ATOM 1114 C GLY A 67 13.627 5.159 -2.720 1.00 0.00 C ATOM 1115 O GLY A 67 14.729 4.916 -2.232 1.00 0.00 O ATOM 0 H GLY A 67 12.326 7.033 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.605 4.795 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.341 4.967 -4.741 1.00 0.00 H new ATOM 1119 N GLU A 68 12.513 5.302 -2.001 1.00 0.00 N ATOM 1120 CA GLU A 68 12.313 5.192 -0.555 1.00 0.00 C ATOM 1121 C GLU A 68 13.041 6.285 0.249 1.00 0.00 C ATOM 1122 O GLU A 68 12.454 6.877 1.156 1.00 0.00 O ATOM 1123 CB GLU A 68 12.633 3.760 -0.079 1.00 0.00 C ATOM 1124 CG GLU A 68 12.167 3.544 1.366 1.00 0.00 C ATOM 1125 CD GLU A 68 12.556 2.192 1.984 1.00 0.00 C ATOM 1126 OE1 GLU A 68 12.295 1.111 1.403 1.00 0.00 O ATOM 1127 OE2 GLU A 68 13.141 2.231 3.097 1.00 0.00 O ATOM 0 H GLU A 68 11.633 5.522 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 68 11.258 5.377 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.145 3.038 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.706 3.581 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.578 4.341 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.082 3.642 1.399 1.00 0.00 H new ATOM 1134 N GLU A 69 14.291 6.613 -0.087 1.00 0.00 N ATOM 1135 CA GLU A 69 15.136 7.544 0.658 1.00 0.00 C ATOM 1136 C GLU A 69 14.520 8.944 0.778 1.00 0.00 C ATOM 1137 O GLU A 69 14.816 9.659 1.731 1.00 0.00 O ATOM 1138 CB GLU A 69 16.561 7.570 0.075 1.00 0.00 C ATOM 1139 CG GLU A 69 16.654 8.190 -1.322 1.00 0.00 C ATOM 1140 CD GLU A 69 18.079 8.258 -1.879 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.816 7.247 -1.861 1.00 0.00 O ATOM 1142 OE2 GLU A 69 18.440 9.323 -2.428 1.00 0.00 O ATOM 0 H GLU A 69 14.755 6.226 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 69 15.205 7.175 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.209 8.127 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.944 6.550 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.034 7.612 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.239 9.197 -1.290 1.00 0.00 H new ATOM 1149 N GLY A 70 13.625 9.315 -0.142 1.00 0.00 N ATOM 1150 CA GLY A 70 12.997 10.629 -0.209 1.00 0.00 C ATOM 1151 C GLY A 70 11.925 10.854 0.845 1.00 0.00 C ATOM 1152 O GLY A 70 11.500 11.995 1.055 1.00 0.00 O ATOM 0 H GLY A 70 13.311 8.687 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.766 11.394 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.555 10.759 -1.197 1.00 0.00 H new ATOM 1156 N LEU A 71 11.422 9.785 1.468 1.00 0.00 N ATOM 1157 CA LEU A 71 10.382 9.899 2.476 1.00 0.00 C ATOM 1158 C LEU A 71 11.079 10.265 3.785 1.00 0.00 C ATOM 1159 O LEU A 71 11.370 9.412 4.620 1.00 0.00 O ATOM 1160 CB LEU A 71 9.516 8.623 2.507 1.00 0.00 C ATOM 1161 CG LEU A 71 8.083 8.901 3.008 1.00 0.00 C ATOM 1162 CD1 LEU A 71 7.146 7.773 2.564 1.00 0.00 C ATOM 1163 CD2 LEU A 71 7.991 9.052 4.527 1.00 0.00 C ATOM 0 H LEU A 71 11.725 8.828 1.286 1.00 0.00 H new ATOM 0 HA LEU A 71 9.660 10.686 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.472 8.192 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.987 7.882 3.153 1.00 0.00 H new ATOM 0 HG LEU A 71 7.784 9.852 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.137 7.977 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.140 7.712 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.494 6.827 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.957 9.246 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.333 8.134 5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.618 9.884 4.849 1.00 0.00 H new