USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 886 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot -84:sc= 0.0684 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 THR OG1 : rot -95:sc= -0.256 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc=0.000802 USER MOD Single : A 9 GLN : amide:sc= -1.5! C(o=-1.5!,f=-3!) USER MOD Single : A 11 SER OG : rot 73:sc= -4.96! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 22 GLN : amide:sc=-0.00727 X(o=-0.0073,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 0.0574 (180deg=-0.201) USER MOD Single : A 43 ASN : amide:sc= -2.79 K(o=-2.8,f=-7.6!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 120:sc= 0.608 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 143:sc=-0.00423 (180deg=-0.0441) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.64) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc=-0.00783 X(o=-0.0078,f=-0.013) USER MOD Single : A 91 MET CE :methyl 175:sc= -8.71! (180deg=-8.94!) USER MOD Single : A 95 THR OG1 : rot -170:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.6!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : A 127 HIS : no HE2:sc= 0.00661 X(o=0.0066,f=-0.062) USER MOD Single : A 129 TYR OH : rot 180:sc= -0.0742 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc=-0.00359 X(o=-0.0036,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 0.706 -12.238 -1.967 1.00 0.00 N ATOM 67 CA GLY A 8 -0.030 -12.605 -0.770 1.00 0.00 C ATOM 68 C GLY A 8 -1.355 -11.845 -0.686 1.00 0.00 C ATOM 69 O GLY A 8 -2.112 -11.801 -1.654 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.222 -13.678 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.573 -12.390 0.112 1.00 0.00 H new ATOM 73 N GLN A 9 -1.595 -11.265 0.481 1.00 0.00 N ATOM 74 CA GLN A 9 -2.816 -10.508 0.704 1.00 0.00 C ATOM 75 C GLN A 9 -2.552 -9.347 1.665 1.00 0.00 C ATOM 76 O GLN A 9 -2.035 -9.550 2.762 1.00 0.00 O ATOM 77 CB GLN A 9 -3.933 -11.412 1.229 1.00 0.00 C ATOM 78 CG GLN A 9 -4.317 -12.468 0.191 1.00 0.00 C ATOM 79 CD GLN A 9 -5.381 -13.419 0.744 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.436 -13.012 1.203 1.00 0.00 O ATOM 81 NE2 GLN A 9 -5.046 -14.704 0.676 1.00 0.00 N ATOM 0 H GLN A 9 -0.965 -11.304 1.282 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.145 -10.096 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.609 -11.901 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.806 -10.809 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.693 -11.980 -0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.433 -13.035 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.146 -14.976 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.689 -15.417 1.020 1.00 0.00 H new ATOM 90 N LEU A 10 -2.921 -8.156 1.217 1.00 0.00 N ATOM 91 CA LEU A 10 -2.731 -6.962 2.023 1.00 0.00 C ATOM 92 C LEU A 10 -4.097 -6.393 2.414 1.00 0.00 C ATOM 93 O LEU A 10 -5.008 -6.335 1.590 1.00 0.00 O ATOM 94 CB LEU A 10 -1.834 -5.960 1.294 1.00 0.00 C ATOM 95 CG LEU A 10 -0.876 -5.153 2.174 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.361 -3.918 1.433 1.00 0.00 C ATOM 97 CD2 LEU A 10 -1.531 -4.790 3.508 1.00 0.00 C ATOM 0 H LEU A 10 -3.350 -7.992 0.306 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.210 -7.207 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.246 -6.501 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.470 -5.262 0.749 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.011 -5.777 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.318 -3.362 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.169 -4.229 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.202 -3.282 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.829 -4.217 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.424 -4.192 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.807 -5.702 4.038 1.00 0.00 H new ATOM 109 N SER A 11 -4.196 -5.989 3.672 1.00 0.00 N ATOM 110 CA SER A 11 -5.435 -5.427 4.183 1.00 0.00 C ATOM 111 C SER A 11 -5.349 -3.900 4.199 1.00 0.00 C ATOM 112 O SER A 11 -4.599 -3.325 4.985 1.00 0.00 O ATOM 113 CB SER A 11 -5.743 -5.956 5.585 1.00 0.00 C ATOM 114 OG SER A 11 -6.027 -7.353 5.578 1.00 0.00 O ATOM 0 H SER A 11 -3.438 -6.040 4.353 1.00 0.00 H new ATOM 0 HA SER A 11 -6.247 -5.732 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.894 -5.762 6.240 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.594 -5.415 5.998 1.00 0.00 H new ATOM 0 HG SER A 11 -5.199 -7.854 5.428 1.00 0.00 H new ATOM 120 N ILE A 12 -6.129 -3.286 3.320 1.00 0.00 N ATOM 121 CA ILE A 12 -6.150 -1.837 3.224 1.00 0.00 C ATOM 122 C ILE A 12 -7.579 -1.336 3.449 1.00 0.00 C ATOM 123 O ILE A 12 -8.496 -1.720 2.725 1.00 0.00 O ATOM 124 CB ILE A 12 -5.541 -1.379 1.897 1.00 0.00 C ATOM 125 CG1 ILE A 12 -4.053 -1.730 1.828 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.789 0.113 1.665 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.692 -2.319 0.463 1.00 0.00 C ATOM 0 H ILE A 12 -6.750 -3.766 2.669 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.529 -1.395 4.003 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.038 -1.917 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.456 -0.837 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.807 -2.445 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.346 0.412 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.862 0.304 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.336 0.687 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.629 -2.560 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.273 -3.225 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.916 -1.592 -0.318 1.00 0.00 H new ATOM 139 N LYS A 13 -7.722 -0.487 4.455 1.00 0.00 N ATOM 140 CA LYS A 13 -9.023 0.070 4.785 1.00 0.00 C ATOM 141 C LYS A 13 -9.123 1.489 4.222 1.00 0.00 C ATOM 142 O LYS A 13 -8.393 2.383 4.648 1.00 0.00 O ATOM 143 CB LYS A 13 -9.275 -0.012 6.292 1.00 0.00 C ATOM 144 CG LYS A 13 -10.626 -0.667 6.586 1.00 0.00 C ATOM 145 CD LYS A 13 -11.045 -0.430 8.039 1.00 0.00 C ATOM 146 CE LYS A 13 -9.974 -0.935 9.007 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.474 -0.896 10.400 1.00 0.00 N ATOM 0 H LYS A 13 -6.959 -0.171 5.053 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.816 -0.515 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.478 -0.584 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.250 0.989 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.384 -0.263 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.565 -1.738 6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.216 0.634 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.988 -0.939 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.690 -1.954 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.077 -0.321 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.734 -1.242 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.723 0.082 10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.316 -1.500 10.484 1.00 0.00 H new ATOM 161 N LEU A 14 -10.033 1.653 3.273 1.00 0.00 N ATOM 162 CA LEU A 14 -10.238 2.948 2.647 1.00 0.00 C ATOM 163 C LEU A 14 -11.562 3.540 3.133 1.00 0.00 C ATOM 164 O LEU A 14 -12.475 2.806 3.507 1.00 0.00 O ATOM 165 CB LEU A 14 -10.139 2.829 1.125 1.00 0.00 C ATOM 166 CG LEU A 14 -8.917 2.080 0.589 1.00 0.00 C ATOM 167 CD1 LEU A 14 -9.181 1.536 -0.817 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.668 2.962 0.637 1.00 0.00 C ATOM 0 H LEU A 14 -10.637 0.910 2.922 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.451 3.642 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.036 2.328 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.140 3.833 0.701 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.731 1.223 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.297 1.008 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.027 0.849 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.407 2.363 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.814 2.405 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.827 3.852 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.471 3.259 1.667 1.00 0.00 H new ATOM 180 N TRP A 15 -11.625 4.864 3.111 1.00 0.00 N ATOM 181 CA TRP A 15 -12.822 5.563 3.545 1.00 0.00 C ATOM 182 C TRP A 15 -12.811 6.957 2.913 1.00 0.00 C ATOM 183 O TRP A 15 -11.797 7.652 2.954 1.00 0.00 O ATOM 184 CB TRP A 15 -12.914 5.600 5.072 1.00 0.00 C ATOM 185 CG TRP A 15 -13.877 6.658 5.613 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.655 7.969 5.774 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.232 6.439 6.059 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.764 8.610 6.290 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.753 7.650 6.469 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.992 5.258 6.114 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -17.055 7.796 6.963 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.291 5.421 6.610 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.831 6.633 7.027 1.00 0.00 C ATOM 0 H TRP A 15 -10.866 5.470 2.799 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.717 5.037 3.213 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -13.229 4.620 5.430 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.921 5.785 5.481 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.726 8.463 5.531 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.843 9.605 6.501 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.605 4.301 5.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.440 8.755 7.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.918 4.544 6.673 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.844 6.676 7.398 1.00 0.00 H new ATOM 204 N PHE A 16 -13.950 7.323 2.344 1.00 0.00 N ATOM 205 CA PHE A 16 -14.083 8.621 1.705 1.00 0.00 C ATOM 206 C PHE A 16 -14.751 9.628 2.643 1.00 0.00 C ATOM 207 O PHE A 16 -15.895 9.437 3.053 1.00 0.00 O ATOM 208 CB PHE A 16 -14.970 8.424 0.474 1.00 0.00 C ATOM 209 CG PHE A 16 -15.023 9.639 -0.455 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.895 10.064 -1.085 1.00 0.00 C ATOM 211 CD2 PHE A 16 -16.199 10.294 -0.651 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.945 11.191 -1.947 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.249 11.421 -1.513 1.00 0.00 C ATOM 214 CZ PHE A 16 -15.121 11.846 -2.143 1.00 0.00 C ATOM 0 H PHE A 16 -14.789 6.744 2.312 1.00 0.00 H new ATOM 0 HA PHE A 16 -13.099 9.008 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -14.607 7.564 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.982 8.186 0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.961 9.544 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.095 9.957 -0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.049 11.528 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.183 11.941 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.159 12.703 -2.799 1.00 0.00 H new ATOM 224 N ASP A 17 -14.007 10.679 2.957 1.00 0.00 N ATOM 225 CA ASP A 17 -14.513 11.717 3.840 1.00 0.00 C ATOM 226 C ASP A 17 -15.059 12.873 3.000 1.00 0.00 C ATOM 227 O ASP A 17 -14.402 13.902 2.852 1.00 0.00 O ATOM 228 CB ASP A 17 -13.401 12.267 4.736 1.00 0.00 C ATOM 229 CG ASP A 17 -13.459 11.808 6.194 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.592 11.581 6.673 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.371 11.695 6.797 1.00 0.00 O ATOM 0 H ASP A 17 -13.058 10.834 2.616 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.295 11.280 4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.439 11.974 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.441 13.356 4.712 1.00 0.00 H new ATOM 236 N LYS A 18 -16.257 12.665 2.472 1.00 0.00 N ATOM 237 CA LYS A 18 -16.899 13.677 1.651 1.00 0.00 C ATOM 238 C LYS A 18 -17.036 14.970 2.457 1.00 0.00 C ATOM 239 O LYS A 18 -17.240 16.041 1.889 1.00 0.00 O ATOM 240 CB LYS A 18 -18.226 13.154 1.097 1.00 0.00 C ATOM 241 CG LYS A 18 -19.226 12.892 2.225 1.00 0.00 C ATOM 242 CD LYS A 18 -19.589 11.408 2.302 1.00 0.00 C ATOM 243 CE LYS A 18 -20.500 11.128 3.499 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.526 9.680 3.803 1.00 0.00 N ATOM 0 H LYS A 18 -16.799 11.810 2.597 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.285 13.907 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.643 13.879 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.054 12.234 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.801 13.216 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -20.127 13.483 2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.088 11.104 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.680 10.811 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.148 11.682 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.510 11.479 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.149 9.507 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.883 9.158 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.564 9.355 4.028 1.00 0.00 H new ATOM 258 N VAL A 19 -16.918 14.827 3.769 1.00 0.00 N ATOM 259 CA VAL A 19 -17.026 15.970 4.659 1.00 0.00 C ATOM 260 C VAL A 19 -15.972 17.011 4.275 1.00 0.00 C ATOM 261 O VAL A 19 -16.308 18.090 3.790 1.00 0.00 O ATOM 262 CB VAL A 19 -16.912 15.513 6.115 1.00 0.00 C ATOM 263 CG1 VAL A 19 -16.994 16.704 7.072 1.00 0.00 C ATOM 264 CG2 VAL A 19 -17.980 14.469 6.446 1.00 0.00 C ATOM 0 H VAL A 19 -16.749 13.937 4.237 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.003 16.443 4.557 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.935 15.047 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.910 16.351 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.181 17.398 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.949 17.212 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.877 14.161 7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.970 14.899 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.855 13.602 5.797 1.00 0.00 H new ATOM 274 N GLY A 20 -14.718 16.651 4.508 1.00 0.00 N ATOM 275 CA GLY A 20 -13.613 17.540 4.193 1.00 0.00 C ATOM 276 C GLY A 20 -13.023 17.215 2.819 1.00 0.00 C ATOM 277 O GLY A 20 -12.036 17.821 2.405 1.00 0.00 O ATOM 0 H GLY A 20 -14.443 15.755 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.957 18.574 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.840 17.449 4.956 1.00 0.00 H new ATOM 281 N HIS A 21 -13.651 16.259 2.152 1.00 0.00 N ATOM 282 CA HIS A 21 -13.200 15.846 0.834 1.00 0.00 C ATOM 283 C HIS A 21 -11.798 15.242 0.937 1.00 0.00 C ATOM 284 O HIS A 21 -10.902 15.610 0.179 1.00 0.00 O ATOM 285 CB HIS A 21 -13.272 17.011 -0.155 1.00 0.00 C ATOM 286 CG HIS A 21 -14.672 17.339 -0.617 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.328 16.613 -1.596 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.533 18.321 -0.224 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.528 17.143 -1.777 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.654 18.202 -0.926 1.00 0.00 N ATOM 0 H HIS A 21 -14.469 15.758 2.499 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.863 15.073 0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.837 17.896 0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.660 16.774 -1.025 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.336 19.069 0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -17.276 16.798 -2.476 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.474 18.803 -0.843 1.00 0.00 H new ATOM 298 N GLN A 22 -11.653 14.324 1.881 1.00 0.00 N ATOM 299 CA GLN A 22 -10.375 13.665 2.094 1.00 0.00 C ATOM 300 C GLN A 22 -10.529 12.150 1.950 1.00 0.00 C ATOM 301 O GLN A 22 -11.542 11.584 2.357 1.00 0.00 O ATOM 302 CB GLN A 22 -9.791 14.030 3.460 1.00 0.00 C ATOM 303 CG GLN A 22 -10.455 15.288 4.022 1.00 0.00 C ATOM 304 CD GLN A 22 -10.026 15.534 5.470 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.305 16.467 5.781 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.508 14.646 6.335 1.00 0.00 N ATOM 0 H GLN A 22 -12.399 14.021 2.507 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.677 14.013 1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.931 13.200 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.717 14.191 3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.189 16.149 3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.539 15.184 3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.107 13.888 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.279 14.723 7.326 1.00 0.00 H new ATOM 315 N LEU A 23 -9.508 11.536 1.369 1.00 0.00 N ATOM 316 CA LEU A 23 -9.517 10.097 1.167 1.00 0.00 C ATOM 317 C LEU A 23 -8.767 9.420 2.315 1.00 0.00 C ATOM 318 O LEU A 23 -7.573 9.652 2.503 1.00 0.00 O ATOM 319 CB LEU A 23 -8.968 9.747 -0.218 1.00 0.00 C ATOM 320 CG LEU A 23 -8.997 8.265 -0.596 1.00 0.00 C ATOM 321 CD1 LEU A 23 -10.429 7.793 -0.853 1.00 0.00 C ATOM 322 CD2 LEU A 23 -8.079 7.986 -1.788 1.00 0.00 C ATOM 0 H LEU A 23 -8.669 12.009 1.032 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.538 9.716 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.537 10.303 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.937 10.097 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.615 7.689 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.421 6.736 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.026 7.936 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.861 8.370 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.118 6.925 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.408 8.572 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.056 8.261 -1.532 1.00 0.00 H new ATOM 334 N ILE A 24 -9.497 8.596 3.053 1.00 0.00 N ATOM 335 CA ILE A 24 -8.915 7.884 4.178 1.00 0.00 C ATOM 336 C ILE A 24 -8.426 6.512 3.709 1.00 0.00 C ATOM 337 O ILE A 24 -9.159 5.782 3.044 1.00 0.00 O ATOM 338 CB ILE A 24 -9.907 7.819 5.341 1.00 0.00 C ATOM 339 CG1 ILE A 24 -9.986 9.162 6.070 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.562 6.670 6.291 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.362 10.288 5.105 1.00 0.00 C ATOM 0 H ILE A 24 -10.486 8.406 2.894 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.046 8.419 4.560 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.898 7.615 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.724 9.103 6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.026 9.384 6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.282 6.646 7.109 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.598 5.726 5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.560 6.819 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.411 11.232 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.610 10.361 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.333 10.075 4.658 1.00 0.00 H new ATOM 353 N VAL A 25 -7.190 6.204 4.074 1.00 0.00 N ATOM 354 CA VAL A 25 -6.594 4.933 3.699 1.00 0.00 C ATOM 355 C VAL A 25 -5.710 4.432 4.843 1.00 0.00 C ATOM 356 O VAL A 25 -4.626 4.966 5.074 1.00 0.00 O ATOM 357 CB VAL A 25 -5.837 5.079 2.378 1.00 0.00 C ATOM 358 CG1 VAL A 25 -5.364 6.520 2.174 1.00 0.00 C ATOM 359 CG2 VAL A 25 -4.662 4.102 2.308 1.00 0.00 C ATOM 0 H VAL A 25 -6.585 6.813 4.625 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.367 4.183 3.533 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.525 4.834 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.829 6.597 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.226 7.187 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.700 6.804 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.141 4.227 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.973 4.302 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.033 3.080 2.386 1.00 0.00 H new ATOM 369 N THR A 26 -6.205 3.412 5.528 1.00 0.00 N ATOM 370 CA THR A 26 -5.474 2.833 6.642 1.00 0.00 C ATOM 371 C THR A 26 -4.846 1.499 6.232 1.00 0.00 C ATOM 372 O THR A 26 -5.540 0.603 5.755 1.00 0.00 O ATOM 373 CB THR A 26 -6.434 2.714 7.827 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.272 3.943 8.530 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.993 1.649 8.833 1.00 0.00 C ATOM 0 H THR A 26 -7.104 2.971 5.333 1.00 0.00 H new ATOM 0 HA THR A 26 -4.642 3.470 6.942 1.00 0.00 H new ATOM 0 HB THR A 26 -7.433 2.477 7.462 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.623 3.822 9.254 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.709 1.605 9.654 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.948 0.678 8.339 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.008 1.903 9.224 1.00 0.00 H new ATOM 383 N ILE A 27 -3.539 1.410 6.433 1.00 0.00 N ATOM 384 CA ILE A 27 -2.810 0.201 6.090 1.00 0.00 C ATOM 385 C ILE A 27 -2.850 -0.766 7.275 1.00 0.00 C ATOM 386 O ILE A 27 -1.957 -0.755 8.121 1.00 0.00 O ATOM 387 CB ILE A 27 -1.394 0.543 5.623 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.427 1.475 4.410 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.585 -0.726 5.349 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.275 0.880 3.284 1.00 0.00 C ATOM 0 H ILE A 27 -2.966 2.156 6.829 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.284 -0.304 5.249 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.889 1.079 6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.832 2.444 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.412 1.649 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.417 -0.454 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.518 -1.319 6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.077 -1.311 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.282 1.562 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.853 -0.077 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.295 0.730 3.637 1.00 0.00 H new ATOM 402 N LEU A 28 -3.895 -1.581 7.298 1.00 0.00 N ATOM 403 CA LEU A 28 -4.063 -2.552 8.365 1.00 0.00 C ATOM 404 C LEU A 28 -2.776 -3.367 8.515 1.00 0.00 C ATOM 405 O LEU A 28 -1.815 -2.909 9.131 1.00 0.00 O ATOM 406 CB LEU A 28 -5.307 -3.408 8.120 1.00 0.00 C ATOM 407 CG LEU A 28 -6.646 -2.667 8.143 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.666 -3.351 7.231 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.166 -2.518 9.574 1.00 0.00 C ATOM 0 H LEU A 28 -4.633 -1.588 6.594 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.234 -2.047 9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.202 -3.898 7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.337 -4.195 8.874 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.487 -1.662 7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.609 -2.805 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.290 -3.362 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.827 -4.375 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.118 -1.988 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.306 -3.505 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.445 -1.955 10.166 1.00 0.00 H new ATOM 421 N GLY A 29 -2.799 -4.560 7.940 1.00 0.00 N ATOM 422 CA GLY A 29 -1.647 -5.443 8.001 1.00 0.00 C ATOM 423 C GLY A 29 -1.675 -6.462 6.860 1.00 0.00 C ATOM 424 O GLY A 29 -2.719 -6.685 6.248 1.00 0.00 O ATOM 0 H GLY A 29 -3.598 -4.936 7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.731 -4.855 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.634 -5.964 8.958 1.00 0.00 H new ATOM 428 N ALA A 30 -0.517 -7.054 6.609 1.00 0.00 N ATOM 429 CA ALA A 30 -0.396 -8.044 5.553 1.00 0.00 C ATOM 430 C ALA A 30 -0.458 -9.445 6.164 1.00 0.00 C ATOM 431 O ALA A 30 -0.232 -9.615 7.361 1.00 0.00 O ATOM 432 CB ALA A 30 0.900 -7.804 4.774 1.00 0.00 C ATOM 0 H ALA A 30 0.346 -6.867 7.119 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.222 -7.955 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.991 -8.547 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.882 -6.806 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.751 -7.888 5.449 1.00 0.00 H new ATOM 438 N LYS A 31 -0.765 -10.414 5.313 1.00 0.00 N ATOM 439 CA LYS A 31 -0.860 -11.795 5.755 1.00 0.00 C ATOM 440 C LYS A 31 -0.576 -12.724 4.573 1.00 0.00 C ATOM 441 O LYS A 31 -0.572 -12.288 3.423 1.00 0.00 O ATOM 442 CB LYS A 31 -2.210 -12.051 6.427 1.00 0.00 C ATOM 443 CG LYS A 31 -3.337 -12.100 5.393 1.00 0.00 C ATOM 444 CD LYS A 31 -3.627 -13.539 4.965 1.00 0.00 C ATOM 445 CE LYS A 31 -4.662 -14.188 5.886 1.00 0.00 C ATOM 446 NZ LYS A 31 -4.113 -15.418 6.499 1.00 0.00 N ATOM 0 H LYS A 31 -0.951 -10.270 4.321 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.107 -12.005 6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.174 -12.992 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.413 -11.265 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.239 -11.653 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.062 -11.506 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.992 -13.550 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.705 -14.120 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.954 -13.485 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.562 -14.428 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.691 -16.235 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.134 -15.559 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.128 -15.326 7.535 1.00 0.00 H new ATOM 460 N ASP A 32 -0.344 -13.988 4.897 1.00 0.00 N ATOM 461 CA ASP A 32 -0.059 -14.982 3.876 1.00 0.00 C ATOM 462 C ASP A 32 0.984 -14.425 2.905 1.00 0.00 C ATOM 463 O ASP A 32 0.843 -14.562 1.691 1.00 0.00 O ATOM 464 CB ASP A 32 -1.316 -15.324 3.074 1.00 0.00 C ATOM 465 CG ASP A 32 -2.299 -16.260 3.780 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.922 -16.771 4.857 1.00 0.00 O ATOM 467 OD2 ASP A 32 -3.405 -16.444 3.227 1.00 0.00 O ATOM 0 H ASP A 32 -0.348 -14.346 5.852 1.00 0.00 H new ATOM 0 HA ASP A 32 0.307 -15.880 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.834 -14.397 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.014 -15.782 2.132 1.00 0.00 H new ATOM 472 N LEU A 33 2.009 -13.810 3.477 1.00 0.00 N ATOM 473 CA LEU A 33 3.075 -13.232 2.677 1.00 0.00 C ATOM 474 C LEU A 33 3.956 -14.353 2.122 1.00 0.00 C ATOM 475 O LEU A 33 3.937 -15.472 2.633 1.00 0.00 O ATOM 476 CB LEU A 33 3.847 -12.188 3.486 1.00 0.00 C ATOM 477 CG LEU A 33 3.453 -10.729 3.247 1.00 0.00 C ATOM 478 CD1 LEU A 33 1.940 -10.592 3.066 1.00 0.00 C ATOM 479 CD2 LEU A 33 3.979 -9.828 4.367 1.00 0.00 C ATOM 0 H LEU A 33 2.124 -13.700 4.485 1.00 0.00 H new ATOM 0 HA LEU A 33 2.661 -12.697 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.718 -12.410 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.909 -12.298 3.265 1.00 0.00 H new ATOM 0 HG LEU A 33 3.920 -10.397 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.687 -9.545 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.621 -11.185 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.433 -10.948 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.685 -8.797 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.561 -10.151 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.066 -9.894 4.407 1.00 0.00 H new ATOM 612 N ARG A 42 12.315 -11.179 7.203 1.00 0.00 N ATOM 613 CA ARG A 42 12.648 -9.895 6.612 1.00 0.00 C ATOM 614 C ARG A 42 11.844 -8.778 7.280 1.00 0.00 C ATOM 615 O ARG A 42 11.122 -9.021 8.246 1.00 0.00 O ATOM 616 CB ARG A 42 12.363 -9.890 5.109 1.00 0.00 C ATOM 617 CG ARG A 42 11.077 -10.657 4.792 1.00 0.00 C ATOM 618 CD ARG A 42 10.134 -9.815 3.932 1.00 0.00 C ATOM 619 NE ARG A 42 8.898 -10.576 3.641 1.00 0.00 N ATOM 620 CZ ARG A 42 7.973 -10.885 4.560 1.00 0.00 C ATOM 621 NH1 ARG A 42 8.138 -10.501 5.833 1.00 0.00 N ATOM 622 NH2 ARG A 42 6.883 -11.579 4.206 1.00 0.00 N ATOM 0 HA ARG A 42 13.713 -9.724 6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.274 -8.863 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.200 -10.340 4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.321 -11.583 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.577 -10.935 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.887 -8.888 4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.628 -9.538 3.001 1.00 0.00 H new ATOM 0 HE ARG A 42 8.741 -10.884 2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.968 -9.973 6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.434 -10.736 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.757 -11.872 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.179 -11.814 4.905 1.00 0.00 H new ATOM 636 N ASN A 43 11.996 -7.578 6.739 1.00 0.00 N ATOM 637 CA ASN A 43 11.293 -6.423 7.271 1.00 0.00 C ATOM 638 C ASN A 43 10.420 -5.812 6.173 1.00 0.00 C ATOM 639 O ASN A 43 10.888 -4.988 5.390 1.00 0.00 O ATOM 640 CB ASN A 43 12.276 -5.350 7.746 1.00 0.00 C ATOM 641 CG ASN A 43 13.462 -5.979 8.480 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.338 -6.973 9.176 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.615 -5.346 8.286 1.00 0.00 N ATOM 0 H ASN A 43 12.596 -7.381 5.938 1.00 0.00 H new ATOM 0 HA ASN A 43 10.688 -6.756 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.635 -4.777 6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.765 -4.650 8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.466 -5.688 8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.649 -4.519 7.690 1.00 0.00 H new ATOM 650 N PRO A 44 9.133 -6.252 6.151 1.00 0.00 N ATOM 651 CA PRO A 44 8.191 -5.758 5.162 1.00 0.00 C ATOM 652 C PRO A 44 7.736 -4.337 5.500 1.00 0.00 C ATOM 653 O PRO A 44 7.975 -3.851 6.605 1.00 0.00 O ATOM 654 CB PRO A 44 7.051 -6.763 5.168 1.00 0.00 C ATOM 655 CG PRO A 44 7.173 -7.524 6.478 1.00 0.00 C ATOM 656 CD PRO A 44 8.544 -7.228 7.063 1.00 0.00 C ATOM 0 HA PRO A 44 8.629 -5.678 4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.087 -6.260 5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.122 -7.439 4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.389 -7.220 7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.052 -8.594 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.465 -6.828 8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.152 -8.131 7.124 1.00 0.00 H new ATOM 664 N TYR A 45 7.088 -3.710 4.529 1.00 0.00 N ATOM 665 CA TYR A 45 6.597 -2.355 4.711 1.00 0.00 C ATOM 666 C TYR A 45 5.849 -1.871 3.466 1.00 0.00 C ATOM 667 O TYR A 45 6.409 -1.845 2.372 1.00 0.00 O ATOM 668 CB TYR A 45 7.836 -1.481 4.917 1.00 0.00 C ATOM 669 CG TYR A 45 8.538 -1.080 3.618 1.00 0.00 C ATOM 670 CD1 TYR A 45 8.137 0.052 2.939 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.572 -1.850 3.126 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.797 0.430 1.716 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.232 -1.472 1.903 1.00 0.00 C ATOM 674 CZ TYR A 45 9.813 -0.351 1.259 1.00 0.00 C ATOM 675 OH TYR A 45 10.436 0.006 0.104 1.00 0.00 O ATOM 0 H TYR A 45 6.892 -4.116 3.614 1.00 0.00 H new ATOM 0 HA TYR A 45 5.907 -2.307 5.553 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.546 -0.578 5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.544 -2.016 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.328 0.655 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.886 -2.736 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.492 1.313 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.042 -2.066 1.506 1.00 0.00 H new ATOM 0 HH TYR A 45 9.925 -0.331 -0.661 1.00 0.00 H new ATOM 685 N VAL A 46 4.594 -1.502 3.676 1.00 0.00 N ATOM 686 CA VAL A 46 3.763 -1.021 2.585 1.00 0.00 C ATOM 687 C VAL A 46 4.207 0.391 2.196 1.00 0.00 C ATOM 688 O VAL A 46 4.879 1.070 2.971 1.00 0.00 O ATOM 689 CB VAL A 46 2.287 -1.096 2.979 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.384 -0.790 1.783 1.00 0.00 C ATOM 691 CG2 VAL A 46 1.950 -2.460 3.585 1.00 0.00 C ATOM 0 H VAL A 46 4.132 -1.526 4.585 1.00 0.00 H new ATOM 0 HA VAL A 46 3.883 -1.654 1.706 1.00 0.00 H new ATOM 0 HB VAL A 46 2.105 -0.337 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.340 -0.850 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.596 0.213 1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.571 -1.515 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.895 -2.487 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.157 -3.243 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.558 -2.623 4.475 1.00 0.00 H new ATOM 701 N LYS A 47 3.812 0.791 0.996 1.00 0.00 N ATOM 702 CA LYS A 47 4.160 2.109 0.495 1.00 0.00 C ATOM 703 C LYS A 47 3.064 2.595 -0.455 1.00 0.00 C ATOM 704 O LYS A 47 2.887 2.041 -1.539 1.00 0.00 O ATOM 705 CB LYS A 47 5.555 2.092 -0.133 1.00 0.00 C ATOM 706 CG LYS A 47 6.026 3.511 -0.463 1.00 0.00 C ATOM 707 CD LYS A 47 7.493 3.705 -0.078 1.00 0.00 C ATOM 708 CE LYS A 47 8.420 3.290 -1.222 1.00 0.00 C ATOM 709 NZ LYS A 47 9.832 3.566 -0.872 1.00 0.00 N ATOM 0 H LYS A 47 3.254 0.225 0.356 1.00 0.00 H new ATOM 0 HA LYS A 47 4.213 2.826 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.260 1.621 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.542 1.489 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.898 3.702 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.408 4.236 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.670 4.750 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.720 3.116 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.293 2.228 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.152 3.831 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.447 3.278 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.953 4.583 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.089 3.031 -0.018 1.00 0.00 H new ATOM 723 N ILE A 48 2.357 3.625 -0.014 1.00 0.00 N ATOM 724 CA ILE A 48 1.283 4.192 -0.812 1.00 0.00 C ATOM 725 C ILE A 48 1.840 5.321 -1.681 1.00 0.00 C ATOM 726 O ILE A 48 2.837 5.948 -1.327 1.00 0.00 O ATOM 727 CB ILE A 48 0.120 4.622 0.084 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.221 3.532 1.102 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.097 5.026 -0.752 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.137 4.071 2.532 1.00 0.00 C ATOM 0 H ILE A 48 2.507 4.082 0.886 1.00 0.00 H new ATOM 0 HA ILE A 48 0.874 3.441 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 48 0.431 5.502 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.225 3.152 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.465 2.693 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.909 5.327 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.831 5.859 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.419 4.180 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.384 3.276 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.874 4.427 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.841 4.894 2.653 1.00 0.00 H new ATOM 742 N TYR A 49 1.171 5.546 -2.803 1.00 0.00 N ATOM 743 CA TYR A 49 1.587 6.588 -3.726 1.00 0.00 C ATOM 744 C TYR A 49 0.407 7.079 -4.567 1.00 0.00 C ATOM 745 O TYR A 49 0.054 6.459 -5.569 1.00 0.00 O ATOM 746 CB TYR A 49 2.624 5.945 -4.649 1.00 0.00 C ATOM 747 CG TYR A 49 4.063 6.378 -4.366 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.431 7.699 -4.528 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.994 5.449 -3.949 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.786 8.106 -4.262 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.350 5.857 -3.683 1.00 0.00 C ATOM 752 CZ TYR A 49 6.679 7.165 -3.852 1.00 0.00 C ATOM 753 OH TYR A 49 7.958 7.550 -3.601 1.00 0.00 O ATOM 0 H TYR A 49 0.344 5.024 -3.093 1.00 0.00 H new ATOM 0 HA TYR A 49 1.986 7.445 -3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.557 4.861 -4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.378 6.191 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.703 8.427 -4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.706 4.416 -3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.087 9.136 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.088 5.140 -3.357 1.00 0.00 H new ATOM 0 HH TYR A 49 8.483 6.774 -3.315 1.00 0.00 H new ATOM 763 N PHE A 50 -0.170 8.188 -4.128 1.00 0.00 N ATOM 764 CA PHE A 50 -1.304 8.769 -4.828 1.00 0.00 C ATOM 765 C PHE A 50 -0.896 9.260 -6.218 1.00 0.00 C ATOM 766 O PHE A 50 -0.244 10.295 -6.348 1.00 0.00 O ATOM 767 CB PHE A 50 -1.779 9.962 -3.996 1.00 0.00 C ATOM 768 CG PHE A 50 -3.230 10.368 -4.262 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.243 9.726 -3.622 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.506 11.370 -5.139 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.590 10.102 -3.869 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.853 11.746 -5.386 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.866 11.104 -4.745 1.00 0.00 C ATOM 0 H PHE A 50 0.126 8.700 -3.297 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.088 8.022 -4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.668 9.722 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.131 10.815 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.023 8.930 -2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.701 11.880 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.395 9.592 -3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.073 12.541 -6.083 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.890 11.390 -4.932 1.00 0.00 H new ATOM 783 N LEU A 51 -1.297 8.495 -7.222 1.00 0.00 N ATOM 784 CA LEU A 51 -0.982 8.840 -8.598 1.00 0.00 C ATOM 785 C LEU A 51 -1.928 9.945 -9.072 1.00 0.00 C ATOM 786 O LEU A 51 -3.055 10.051 -8.590 1.00 0.00 O ATOM 787 CB LEU A 51 -1.003 7.591 -9.482 1.00 0.00 C ATOM 788 CG LEU A 51 0.074 6.545 -9.190 1.00 0.00 C ATOM 789 CD1 LEU A 51 -0.037 5.360 -10.152 1.00 0.00 C ATOM 790 CD2 LEU A 51 1.469 7.173 -9.212 1.00 0.00 C ATOM 0 H LEU A 51 -1.837 7.637 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 51 0.031 9.235 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.979 7.116 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.905 7.904 -10.521 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.089 6.159 -8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.740 4.631 -9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.016 4.893 -10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.085 5.711 -11.177 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.216 6.408 -9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.658 7.604 -10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.528 7.955 -8.455 1.00 0.00 H new ATOM 933 N ARG A 60 3.880 8.331 1.102 1.00 0.00 N ATOM 934 CA ARG A 60 3.693 7.995 2.503 1.00 0.00 C ATOM 935 C ARG A 60 3.658 6.476 2.685 1.00 0.00 C ATOM 936 O ARG A 60 2.874 5.788 2.034 1.00 0.00 O ATOM 937 CB ARG A 60 2.395 8.597 3.045 1.00 0.00 C ATOM 938 CG ARG A 60 2.685 9.666 4.101 1.00 0.00 C ATOM 939 CD ARG A 60 2.167 9.234 5.474 1.00 0.00 C ATOM 940 NE ARG A 60 1.644 10.407 6.209 1.00 0.00 N ATOM 941 CZ ARG A 60 2.411 11.273 6.886 1.00 0.00 C ATOM 942 NH1 ARG A 60 3.739 11.102 6.925 1.00 0.00 N ATOM 943 NH2 ARG A 60 1.850 12.309 7.524 1.00 0.00 N ATOM 0 HA ARG A 60 4.533 8.411 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.824 9.035 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.778 7.810 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.758 9.848 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.216 10.606 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.381 8.488 5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.969 8.765 6.044 1.00 0.00 H new ATOM 0 HE ARG A 60 0.637 10.567 6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.166 10.313 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.323 11.761 7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.839 12.439 7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.434 12.968 8.039 1.00 0.00 H new ATOM 957 N ARG A 61 4.518 5.999 3.573 1.00 0.00 N ATOM 958 CA ARG A 61 4.595 4.574 3.848 1.00 0.00 C ATOM 959 C ARG A 61 4.389 4.310 5.341 1.00 0.00 C ATOM 960 O ARG A 61 4.565 5.208 6.164 1.00 0.00 O ATOM 961 CB ARG A 61 5.947 4.002 3.418 1.00 0.00 C ATOM 962 CG ARG A 61 7.073 4.526 4.312 1.00 0.00 C ATOM 963 CD ARG A 61 7.843 5.654 3.621 1.00 0.00 C ATOM 964 NE ARG A 61 9.133 5.144 3.106 1.00 0.00 N ATOM 965 CZ ARG A 61 10.175 5.923 2.785 1.00 0.00 C ATOM 966 NH1 ARG A 61 10.084 7.253 2.924 1.00 0.00 N ATOM 967 NH2 ARG A 61 11.307 5.373 2.325 1.00 0.00 N ATOM 0 H ARG A 61 5.167 6.573 4.111 1.00 0.00 H new ATOM 0 HA ARG A 61 3.807 4.083 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.917 2.913 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.146 4.271 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.657 4.888 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.756 3.712 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.250 6.061 2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.019 6.469 4.323 1.00 0.00 H new ATOM 0 HE ARG A 61 9.236 4.136 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.222 7.671 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.877 7.847 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.376 4.361 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.100 5.966 2.081 1.00 0.00 H new ATOM 981 N THR A 62 4.018 3.075 5.646 1.00 0.00 N ATOM 982 CA THR A 62 3.786 2.682 7.025 1.00 0.00 C ATOM 983 C THR A 62 5.112 2.362 7.719 1.00 0.00 C ATOM 984 O THR A 62 6.160 2.330 7.077 1.00 0.00 O ATOM 985 CB THR A 62 2.802 1.510 7.024 1.00 0.00 C ATOM 986 OG1 THR A 62 3.418 0.541 6.180 1.00 0.00 O ATOM 987 CG2 THR A 62 1.492 1.847 6.310 1.00 0.00 C ATOM 0 H THR A 62 3.872 2.333 4.961 1.00 0.00 H new ATOM 0 HA THR A 62 3.343 3.496 7.599 1.00 0.00 H new ATOM 0 HB THR A 62 2.590 1.213 8.051 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.579 -0.281 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.829 0.982 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.011 2.688 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.700 2.111 5.273 1.00 0.00 H new ATOM 995 N LYS A 63 5.021 2.134 9.021 1.00 0.00 N ATOM 996 CA LYS A 63 6.201 1.818 9.809 1.00 0.00 C ATOM 997 C LYS A 63 6.868 0.564 9.239 1.00 0.00 C ATOM 998 O LYS A 63 6.212 -0.257 8.600 1.00 0.00 O ATOM 999 CB LYS A 63 5.840 1.702 11.291 1.00 0.00 C ATOM 1000 CG LYS A 63 4.977 0.466 11.550 1.00 0.00 C ATOM 1001 CD LYS A 63 5.060 0.037 13.017 1.00 0.00 C ATOM 1002 CE LYS A 63 3.902 -0.895 13.382 1.00 0.00 C ATOM 1003 NZ LYS A 63 3.170 -0.375 14.558 1.00 0.00 N ATOM 0 H LYS A 63 4.149 2.162 9.550 1.00 0.00 H new ATOM 0 HA LYS A 63 6.930 2.626 9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.751 1.646 11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.305 2.597 11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.941 0.680 11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.305 -0.352 10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.009 -0.468 13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.039 0.918 13.659 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.222 -0.989 12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.284 -1.893 13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.388 -1.019 14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.818 -0.308 15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.789 0.568 14.341 1.00 0.00 H new ATOM 1017 N THR A 64 8.165 0.457 9.490 1.00 0.00 N ATOM 1018 CA THR A 64 8.928 -0.682 9.010 1.00 0.00 C ATOM 1019 C THR A 64 8.969 -1.782 10.072 1.00 0.00 C ATOM 1020 O THR A 64 9.552 -1.598 11.140 1.00 0.00 O ATOM 1021 CB THR A 64 10.315 -0.182 8.599 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.073 0.585 7.423 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.228 -1.314 8.123 1.00 0.00 C ATOM 0 H THR A 64 8.706 1.141 10.019 1.00 0.00 H new ATOM 0 HA THR A 64 8.457 -1.134 8.137 1.00 0.00 H new ATOM 0 HB THR A 64 10.780 0.330 9.441 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.920 0.949 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.199 -0.905 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.357 -2.039 8.926 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.779 -1.805 7.260 1.00 0.00 H new ATOM 1031 N VAL A 65 8.343 -2.902 9.742 1.00 0.00 N ATOM 1032 CA VAL A 65 8.300 -4.032 10.655 1.00 0.00 C ATOM 1033 C VAL A 65 9.493 -4.950 10.379 1.00 0.00 C ATOM 1034 O VAL A 65 9.824 -5.215 9.225 1.00 0.00 O ATOM 1035 CB VAL A 65 6.954 -4.750 10.536 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.432 -5.166 11.913 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.932 -3.881 9.801 1.00 0.00 C ATOM 0 H VAL A 65 7.861 -3.051 8.855 1.00 0.00 H new ATOM 0 HA VAL A 65 8.382 -3.692 11.687 1.00 0.00 H new ATOM 0 HB VAL A 65 7.107 -5.655 9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.474 -5.674 11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.147 -5.840 12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.302 -4.281 12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.984 -4.415 9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.784 -2.951 10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.298 -3.657 8.799 1.00 0.00 H new ATOM 1047 N LYS A 66 10.107 -5.409 11.460 1.00 0.00 N ATOM 1048 CA LYS A 66 11.257 -6.291 11.349 1.00 0.00 C ATOM 1049 C LYS A 66 10.814 -7.733 11.607 1.00 0.00 C ATOM 1050 O LYS A 66 10.079 -8.000 12.557 1.00 0.00 O ATOM 1051 CB LYS A 66 12.385 -5.820 12.269 1.00 0.00 C ATOM 1052 CG LYS A 66 12.731 -4.353 12.005 1.00 0.00 C ATOM 1053 CD LYS A 66 14.141 -4.219 11.428 1.00 0.00 C ATOM 1054 CE LYS A 66 14.824 -2.948 11.938 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.292 -3.131 11.983 1.00 0.00 N ATOM 0 H LYS A 66 9.830 -5.187 12.416 1.00 0.00 H new ATOM 0 HA LYS A 66 11.667 -6.258 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.087 -5.945 13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.268 -6.439 12.114 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.008 -3.924 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.658 -3.786 12.933 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.735 -5.091 11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.092 -4.198 10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.576 -2.109 11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.452 -2.702 12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.740 -2.259 12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.524 -3.919 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.645 -3.344 11.028 1.00 0.00 H new ATOM 1069 N LYS A 67 11.280 -8.625 10.745 1.00 0.00 N ATOM 1070 CA LYS A 67 10.942 -10.033 10.868 1.00 0.00 C ATOM 1071 C LYS A 67 9.460 -10.167 11.225 1.00 0.00 C ATOM 1072 O LYS A 67 9.098 -10.154 12.400 1.00 0.00 O ATOM 1073 CB LYS A 67 11.879 -10.724 11.860 1.00 0.00 C ATOM 1074 CG LYS A 67 13.331 -10.654 11.384 1.00 0.00 C ATOM 1075 CD LYS A 67 14.300 -10.920 12.537 1.00 0.00 C ATOM 1076 CE LYS A 67 14.068 -12.307 13.139 1.00 0.00 C ATOM 1077 NZ LYS A 67 13.318 -12.201 14.411 1.00 0.00 N ATOM 0 H LYS A 67 11.889 -8.400 9.958 1.00 0.00 H new ATOM 0 HA LYS A 67 11.089 -10.545 9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.790 -10.252 12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.582 -11.766 11.981 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.493 -11.385 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.530 -9.671 10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.327 -10.842 12.179 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.172 -10.159 13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.515 -12.928 12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.025 -12.799 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.655 -12.998 14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.984 -12.223 15.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.787 -11.307 14.428 1.00 0.00 H new ATOM 1091 N THR A 68 8.644 -10.294 10.189 1.00 0.00 N ATOM 1092 CA THR A 68 7.210 -10.431 10.378 1.00 0.00 C ATOM 1093 C THR A 68 6.509 -10.614 9.031 1.00 0.00 C ATOM 1094 O THR A 68 6.497 -9.703 8.204 1.00 0.00 O ATOM 1095 CB THR A 68 6.718 -9.210 11.158 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.636 -9.711 11.939 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.070 -8.160 10.254 1.00 0.00 C ATOM 0 H THR A 68 8.949 -10.305 9.216 1.00 0.00 H new ATOM 0 HA THR A 68 6.971 -11.323 10.957 1.00 0.00 H new ATOM 0 HB THR A 68 7.554 -8.761 11.694 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.258 -8.985 12.478 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.739 -7.315 10.857 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.796 -7.817 9.517 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.213 -8.599 9.743 1.00 0.00 H new ATOM 1105 N LEU A 69 5.942 -11.798 8.851 1.00 0.00 N ATOM 1106 CA LEU A 69 5.241 -12.113 7.618 1.00 0.00 C ATOM 1107 C LEU A 69 3.849 -11.479 7.653 1.00 0.00 C ATOM 1108 O LEU A 69 3.205 -11.330 6.615 1.00 0.00 O ATOM 1109 CB LEU A 69 5.223 -13.624 7.383 1.00 0.00 C ATOM 1110 CG LEU A 69 6.414 -14.198 6.613 1.00 0.00 C ATOM 1111 CD1 LEU A 69 7.710 -13.478 6.992 1.00 0.00 C ATOM 1112 CD2 LEU A 69 6.519 -15.711 6.812 1.00 0.00 C ATOM 0 H LEU A 69 5.954 -12.551 9.539 1.00 0.00 H new ATOM 0 HA LEU A 69 5.765 -11.687 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.168 -14.121 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.311 -13.877 6.843 1.00 0.00 H new ATOM 0 HG LEU A 69 6.248 -14.025 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.541 -13.905 6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.620 -12.418 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.894 -13.598 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.374 -16.093 6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.650 -15.930 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.608 -16.189 6.453 1.00 0.00 H new ATOM 1124 N GLU A 70 3.425 -11.123 8.856 1.00 0.00 N ATOM 1125 CA GLU A 70 2.121 -10.509 9.039 1.00 0.00 C ATOM 1126 C GLU A 70 2.259 -9.184 9.791 1.00 0.00 C ATOM 1127 O GLU A 70 2.029 -9.123 10.998 1.00 0.00 O ATOM 1128 CB GLU A 70 1.166 -11.456 9.769 1.00 0.00 C ATOM 1129 CG GLU A 70 0.598 -12.506 8.812 1.00 0.00 C ATOM 1130 CD GLU A 70 0.564 -13.887 9.470 1.00 0.00 C ATOM 1131 OE1 GLU A 70 1.653 -14.492 9.574 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -0.549 -14.306 9.855 1.00 0.00 O ATOM 0 H GLU A 70 3.962 -11.248 9.714 1.00 0.00 H new ATOM 0 HA GLU A 70 1.697 -10.305 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.692 -11.950 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.351 -10.885 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.409 -12.219 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.205 -12.545 7.908 1.00 0.00 H new ATOM 1139 N PRO A 71 2.645 -8.127 9.027 1.00 0.00 N ATOM 1140 CA PRO A 71 2.817 -6.806 9.608 1.00 0.00 C ATOM 1141 C PRO A 71 1.463 -6.151 9.891 1.00 0.00 C ATOM 1142 O PRO A 71 0.518 -6.312 9.121 1.00 0.00 O ATOM 1143 CB PRO A 71 3.648 -6.036 8.595 1.00 0.00 C ATOM 1144 CG PRO A 71 3.519 -6.796 7.285 1.00 0.00 C ATOM 1145 CD PRO A 71 2.927 -8.161 7.595 1.00 0.00 C ATOM 0 HA PRO A 71 3.318 -6.834 10.576 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.286 -5.013 8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.690 -5.975 8.910 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.880 -6.252 6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.493 -6.902 6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.020 -8.340 7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.625 -8.961 7.348 1.00 0.00 H new ATOM 1153 N LYS A 72 1.413 -5.427 10.999 1.00 0.00 N ATOM 1154 CA LYS A 72 0.191 -4.747 11.394 1.00 0.00 C ATOM 1155 C LYS A 72 0.499 -3.275 11.675 1.00 0.00 C ATOM 1156 O LYS A 72 0.928 -2.926 12.774 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.470 -5.472 12.568 1.00 0.00 C ATOM 1158 CG LYS A 72 -1.033 -6.826 12.131 1.00 0.00 C ATOM 1159 CD LYS A 72 -2.126 -7.302 13.090 1.00 0.00 C ATOM 1160 CE LYS A 72 -2.689 -8.655 12.651 1.00 0.00 C ATOM 1161 NZ LYS A 72 -4.112 -8.774 13.038 1.00 0.00 N ATOM 0 H LYS A 72 2.199 -5.296 11.636 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.537 -4.771 10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.258 -5.618 13.366 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.271 -4.856 12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.439 -6.746 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.230 -7.563 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.720 -7.383 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.928 -6.565 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.589 -8.764 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.113 -9.460 13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.479 -9.698 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.199 -8.691 14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.660 -8.016 12.583 1.00 0.00 H new ATOM 1175 N TRP A 73 0.268 -2.452 10.663 1.00 0.00 N ATOM 1176 CA TRP A 73 0.515 -1.025 10.787 1.00 0.00 C ATOM 1177 C TRP A 73 -0.760 -0.369 11.321 1.00 0.00 C ATOM 1178 O TRP A 73 -0.697 0.513 12.176 1.00 0.00 O ATOM 1179 CB TRP A 73 0.981 -0.432 9.457 1.00 0.00 C ATOM 1180 CG TRP A 73 2.026 -1.280 8.728 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.358 -1.241 8.861 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.767 -2.302 7.743 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.976 -2.159 8.036 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.977 -2.825 7.334 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.552 -2.769 7.213 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 3.090 -3.843 6.379 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.681 -3.786 6.260 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.892 -4.323 5.838 1.00 0.00 C ATOM 0 H TRP A 73 -0.088 -2.746 9.753 1.00 0.00 H new ATOM 0 HA TRP A 73 1.325 -0.833 11.490 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.116 -0.302 8.806 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.396 0.560 9.639 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.883 -0.575 9.530 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.980 -2.319 7.956 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.406 -2.374 7.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.049 -4.236 6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.224 -4.181 5.822 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.908 -5.107 5.096 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.887 -0.825 10.794 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.174 -0.293 11.207 1.00 0.00 C ATOM 1201 C ASN A 74 -3.064 1.224 11.376 1.00 0.00 C ATOM 1202 O ASN A 74 -3.700 1.802 12.256 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.612 -0.887 12.547 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.856 -1.762 12.379 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -4.816 -2.841 11.811 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -5.960 -1.238 12.904 1.00 0.00 N ATOM 0 H ASN A 74 -1.935 -1.557 10.085 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.906 -0.551 10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.800 -1.480 12.969 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.821 -0.084 13.254 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.843 -1.745 12.844 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.923 -0.329 13.366 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.253 1.825 10.518 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.052 3.264 10.562 1.00 0.00 C ATOM 1215 C GLN A 75 -3.173 3.980 9.807 1.00 0.00 C ATOM 1216 O GLN A 75 -4.123 3.345 9.350 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.681 3.643 9.996 1.00 0.00 C ATOM 1218 CG GLN A 75 0.431 3.336 11.001 1.00 0.00 C ATOM 1219 CD GLN A 75 1.273 4.581 11.285 1.00 0.00 C ATOM 1220 OE1 GLN A 75 1.128 5.243 12.300 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.158 4.863 10.333 1.00 0.00 N ATOM 0 H GLN A 75 -1.728 1.343 9.789 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.080 3.584 11.604 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.501 3.095 9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.667 4.704 9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.005 2.968 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.069 2.542 10.612 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.227 4.267 9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.767 5.676 10.428 1.00 0.00 H new ATOM 1230 N THR A 76 -3.027 5.292 9.698 1.00 0.00 N ATOM 1231 CA THR A 76 -4.015 6.101 9.006 1.00 0.00 C ATOM 1232 C THR A 76 -3.331 7.061 8.031 1.00 0.00 C ATOM 1233 O THR A 76 -2.227 7.535 8.293 1.00 0.00 O ATOM 1234 CB THR A 76 -4.867 6.811 10.061 1.00 0.00 C ATOM 1235 OG1 THR A 76 -5.757 5.800 10.526 1.00 0.00 O ATOM 1236 CG2 THR A 76 -5.790 7.868 9.452 1.00 0.00 C ATOM 0 H THR A 76 -2.238 5.815 10.078 1.00 0.00 H new ATOM 0 HA THR A 76 -4.674 5.484 8.396 1.00 0.00 H new ATOM 0 HB THR A 76 -4.216 7.279 10.799 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.346 6.174 11.215 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.372 8.342 10.242 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.192 8.622 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.465 7.395 8.739 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.016 7.319 6.926 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.488 8.213 5.910 1.00 0.00 C ATOM 1246 C PHE A 77 -4.619 8.934 5.173 1.00 0.00 C ATOM 1247 O PHE A 77 -5.393 8.306 4.452 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.713 7.350 4.912 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.537 6.591 5.529 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.492 7.275 6.068 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.536 5.231 5.539 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.599 6.570 6.640 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.444 4.526 6.111 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.600 5.210 6.649 1.00 0.00 C ATOM 0 H PHE A 77 -4.932 6.924 6.713 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.853 8.968 6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.398 6.633 4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.341 7.986 4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.492 8.355 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.366 4.687 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.428 7.113 7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.443 3.446 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.430 4.674 7.084 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.678 10.241 5.378 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.701 11.054 4.742 1.00 0.00 C ATOM 1266 C ILE A 78 -5.115 11.719 3.496 1.00 0.00 C ATOM 1267 O ILE A 78 -3.945 12.099 3.482 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.299 12.043 5.744 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.227 11.331 6.730 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -7.003 13.195 5.024 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.284 12.076 8.065 1.00 0.00 C ATOM 0 H ILE A 78 -4.034 10.758 5.976 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.532 10.431 4.410 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.484 12.476 6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.229 11.260 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.877 10.312 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.419 13.884 5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.286 13.724 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.806 12.799 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.951 11.549 8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.285 12.124 8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.657 13.087 7.902 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.955 11.841 2.478 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.535 12.454 1.230 1.00 0.00 C ATOM 1285 C TYR A 79 -6.595 13.431 0.715 1.00 0.00 C ATOM 1286 O TYR A 79 -7.687 13.020 0.328 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.385 11.309 0.227 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.999 10.660 0.226 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.884 11.417 -0.070 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.865 9.319 0.521 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.579 10.807 -0.071 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.561 8.709 0.520 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.482 9.483 0.224 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.250 8.906 0.223 1.00 0.00 O ATOM 0 H TYR A 79 -6.925 11.525 2.493 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.609 13.012 1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.132 10.546 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.599 11.685 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.990 12.467 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.738 8.727 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.698 11.388 -0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.442 7.660 0.749 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.333 7.957 0.452 1.00 0.00 H new ATOM 1304 N SER A 80 -6.234 14.706 0.728 1.00 0.00 N ATOM 1305 CA SER A 80 -7.140 15.744 0.268 1.00 0.00 C ATOM 1306 C SER A 80 -6.348 16.873 -0.395 1.00 0.00 C ATOM 1307 O SER A 80 -5.146 17.008 -0.171 1.00 0.00 O ATOM 1308 CB SER A 80 -7.981 16.293 1.422 1.00 0.00 C ATOM 1309 OG SER A 80 -7.588 17.613 1.788 1.00 0.00 O ATOM 0 H SER A 80 -5.327 15.043 1.050 1.00 0.00 H new ATOM 0 HA SER A 80 -7.819 15.306 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.033 16.294 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.886 15.634 2.285 1.00 0.00 H new ATOM 0 HG SER A 80 -8.149 17.928 2.527 1.00 0.00 H new ATOM 1315 N PRO A 81 -7.072 17.676 -1.220 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.492 17.446 -1.431 1.00 0.00 C ATOM 1317 C PRO A 81 -8.723 16.241 -2.344 1.00 0.00 C ATOM 1318 O PRO A 81 -7.963 16.015 -3.284 1.00 0.00 O ATOM 1319 CB PRO A 81 -9.017 18.746 -2.018 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.800 19.487 -2.546 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.562 18.818 -1.972 1.00 0.00 C ATOM 0 HA PRO A 81 -9.020 17.198 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.733 18.553 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.535 19.335 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.779 19.459 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.836 20.537 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.882 18.500 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.006 19.500 -1.328 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.775 15.498 -2.035 1.00 0.00 N ATOM 1330 CA VAL A 82 -10.116 14.321 -2.816 1.00 0.00 C ATOM 1331 C VAL A 82 -11.627 14.296 -3.060 1.00 0.00 C ATOM 1332 O VAL A 82 -12.401 14.005 -2.150 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.603 13.061 -2.116 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.279 11.809 -2.676 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -8.080 12.957 -2.223 1.00 0.00 C ATOM 0 H VAL A 82 -10.403 15.688 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.629 14.356 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.861 13.136 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.896 10.928 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.356 11.879 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.067 11.727 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.741 12.053 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.791 12.916 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.622 13.828 -1.755 1.00 0.00 H new ATOM 1345 N HIS A 83 -12.000 14.605 -4.294 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.403 14.621 -4.669 1.00 0.00 C ATOM 1347 C HIS A 83 -13.791 13.267 -5.267 1.00 0.00 C ATOM 1348 O HIS A 83 -12.924 12.466 -5.611 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.701 15.791 -5.608 1.00 0.00 C ATOM 1350 CG HIS A 83 -13.618 17.146 -4.947 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -14.697 18.009 -4.867 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -12.574 17.777 -4.336 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -14.308 19.107 -4.235 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -12.992 18.962 -3.907 1.00 0.00 N ATOM 0 H HIS A 83 -11.355 14.846 -5.046 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.018 14.776 -3.782 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.000 15.762 -6.442 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.699 15.663 -6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.576 17.380 -4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.925 19.966 -4.018 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.423 19.650 -3.414 1.00 0.00 H new ATOM 1362 N ARG A 84 -15.094 13.054 -5.372 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.607 11.811 -5.922 1.00 0.00 C ATOM 1364 C ARG A 84 -15.409 11.780 -7.439 1.00 0.00 C ATOM 1365 O ARG A 84 -15.487 10.720 -8.057 1.00 0.00 O ATOM 1366 CB ARG A 84 -17.094 11.640 -5.605 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.507 10.170 -5.688 1.00 0.00 C ATOM 1368 CD ARG A 84 -17.022 9.394 -4.461 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.731 8.099 -4.368 1.00 0.00 N ATOM 1370 CZ ARG A 84 -17.474 7.043 -5.153 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -16.523 7.123 -6.093 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -18.168 5.908 -4.997 1.00 0.00 N ATOM 0 H ARG A 84 -15.810 13.721 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 84 -15.053 10.992 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.303 12.024 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.688 12.228 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.592 10.097 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.094 9.723 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.947 9.225 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.197 9.979 -3.558 1.00 0.00 H new ATOM 0 HE ARG A 84 -18.461 8.004 -3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.994 7.987 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -16.327 6.320 -6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.892 5.847 -4.281 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -17.973 5.105 -5.594 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.156 12.956 -7.994 1.00 0.00 N ATOM 1387 CA ARG A 85 -14.945 13.077 -9.427 1.00 0.00 C ATOM 1388 C ARG A 85 -13.451 13.016 -9.751 1.00 0.00 C ATOM 1389 O ARG A 85 -13.070 12.870 -10.912 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.522 14.391 -9.959 1.00 0.00 C ATOM 1391 CG ARG A 85 -14.652 15.579 -9.544 1.00 0.00 C ATOM 1392 CD ARG A 85 -14.047 16.269 -10.769 1.00 0.00 C ATOM 1393 NE ARG A 85 -12.861 17.060 -10.370 1.00 0.00 N ATOM 1394 CZ ARG A 85 -12.922 18.292 -9.846 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -14.110 18.881 -9.655 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -11.794 18.935 -9.513 1.00 0.00 N ATOM 0 H ARG A 85 -15.092 13.833 -7.478 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.459 12.245 -9.909 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.591 14.348 -11.046 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.535 14.527 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.251 16.293 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.855 15.238 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.764 15.525 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.788 16.919 -11.234 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.940 16.641 -10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.968 18.392 -9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.156 19.819 -9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.889 18.487 -9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.840 19.873 -9.114 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.646 13.129 -8.705 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.202 13.088 -8.864 1.00 0.00 C ATOM 1412 C GLU A 86 -10.707 11.641 -8.842 1.00 0.00 C ATOM 1413 O GLU A 86 -9.563 11.367 -9.203 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.508 13.923 -7.786 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.670 15.419 -8.062 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.315 16.075 -8.337 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.514 16.146 -7.380 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -9.112 16.492 -9.498 1.00 0.00 O ATOM 0 H GLU A 86 -12.966 13.249 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.949 13.522 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.927 13.682 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.449 13.669 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.329 15.565 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.145 15.901 -7.207 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.592 10.753 -8.414 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.259 9.341 -8.339 1.00 0.00 C ATOM 1427 C PHE A 87 -10.830 8.805 -9.707 1.00 0.00 C ATOM 1428 O PHE A 87 -9.797 8.148 -9.824 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.524 8.606 -7.891 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.701 8.542 -6.373 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -11.954 9.342 -5.566 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.607 7.685 -5.829 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -12.119 9.283 -4.157 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.772 7.626 -4.420 1.00 0.00 C ATOM 1435 CZ PHE A 87 -13.024 8.426 -3.614 1.00 0.00 C ATOM 0 H PHE A 87 -12.540 10.984 -8.116 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.433 9.190 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.392 9.099 -8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.502 7.591 -8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.235 10.023 -5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.201 7.049 -6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.526 9.919 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.491 6.946 -3.988 1.00 0.00 H new ATOM 0 HZ PHE A 87 -13.149 8.381 -2.542 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.645 9.107 -10.707 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.363 8.664 -12.062 1.00 0.00 C ATOM 1447 C ARG A 88 -10.231 9.497 -12.667 1.00 0.00 C ATOM 1448 O ARG A 88 -9.784 9.227 -13.781 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.604 8.781 -12.949 1.00 0.00 C ATOM 1450 CG ARG A 88 -13.083 10.232 -13.033 1.00 0.00 C ATOM 1451 CD ARG A 88 -14.468 10.315 -13.678 1.00 0.00 C ATOM 1452 NE ARG A 88 -14.921 11.723 -13.723 1.00 0.00 N ATOM 1453 CZ ARG A 88 -16.207 12.097 -13.781 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -17.174 11.170 -13.801 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -16.525 13.398 -13.819 1.00 0.00 N ATOM 0 H ARG A 88 -12.501 9.653 -10.606 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.063 7.617 -12.014 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.377 8.411 -13.949 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.401 8.154 -12.550 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.117 10.666 -12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.372 10.821 -13.613 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.434 9.903 -14.686 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.179 9.713 -13.112 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.210 12.455 -13.709 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.932 10.180 -13.772 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.152 11.455 -13.845 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.789 14.104 -13.804 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.503 13.683 -13.863 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.800 10.493 -11.907 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.730 11.367 -12.355 1.00 0.00 C ATOM 1471 C GLU A 89 -7.439 11.058 -11.594 1.00 0.00 C ATOM 1472 O GLU A 89 -6.352 11.436 -12.028 1.00 0.00 O ATOM 1473 CB GLU A 89 -9.120 12.838 -12.197 1.00 0.00 C ATOM 1474 CG GLU A 89 -10.414 13.146 -12.953 1.00 0.00 C ATOM 1475 CD GLU A 89 -10.836 14.602 -12.748 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -10.936 15.003 -11.568 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -11.049 15.282 -13.775 1.00 0.00 O ATOM 0 H GLU A 89 -10.173 10.714 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.557 11.183 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.247 13.073 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.317 13.473 -12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.273 12.951 -14.016 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.207 12.482 -12.609 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.601 10.373 -10.471 1.00 0.00 N ATOM 1485 CA ARG A 90 -6.462 10.009 -9.646 1.00 0.00 C ATOM 1486 C ARG A 90 -6.658 8.609 -9.060 1.00 0.00 C ATOM 1487 O ARG A 90 -7.712 8.307 -8.504 1.00 0.00 O ATOM 1488 CB ARG A 90 -6.266 11.009 -8.505 1.00 0.00 C ATOM 1489 CG ARG A 90 -5.212 12.056 -8.868 1.00 0.00 C ATOM 1490 CD ARG A 90 -5.869 13.355 -9.339 1.00 0.00 C ATOM 1491 NE ARG A 90 -4.851 14.252 -9.930 1.00 0.00 N ATOM 1492 CZ ARG A 90 -5.119 15.466 -10.430 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -6.374 15.936 -10.414 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -4.131 16.211 -10.947 1.00 0.00 N ATOM 0 H ARG A 90 -8.504 10.061 -10.114 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.576 10.021 -10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.212 11.502 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.962 10.480 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.580 12.257 -8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.563 11.667 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.643 13.135 -10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.358 13.850 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.885 13.926 -9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.126 15.370 -10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.577 16.860 -10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.176 15.854 -10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.335 17.135 -11.328 1.00 0.00 H new ATOM 1508 N MET A 91 -5.624 7.792 -9.204 1.00 0.00 N ATOM 1509 CA MET A 91 -5.669 6.432 -8.696 1.00 0.00 C ATOM 1510 C MET A 91 -4.578 6.201 -7.649 1.00 0.00 C ATOM 1511 O MET A 91 -3.560 6.891 -7.646 1.00 0.00 O ATOM 1512 CB MET A 91 -5.482 5.448 -9.853 1.00 0.00 C ATOM 1513 CG MET A 91 -4.858 4.139 -9.365 1.00 0.00 C ATOM 1514 SD MET A 91 -4.657 3.011 -10.734 1.00 0.00 S ATOM 1515 CE MET A 91 -5.396 1.543 -10.037 1.00 0.00 C ATOM 0 H MET A 91 -4.751 8.046 -9.665 1.00 0.00 H new ATOM 0 HA MET A 91 -6.639 6.273 -8.224 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.445 5.244 -10.320 1.00 0.00 H new ATOM 0 HB3 MET A 91 -4.846 5.896 -10.617 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.891 4.338 -8.902 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.491 3.687 -8.601 1.00 0.00 H new ATOM 0 HE1 MET A 91 -5.435 0.760 -10.795 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.798 1.201 -9.192 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.407 1.770 -9.698 1.00 0.00 H new ATOM 1525 N LEU A 92 -4.828 5.228 -6.785 1.00 0.00 N ATOM 1526 CA LEU A 92 -3.879 4.898 -5.735 1.00 0.00 C ATOM 1527 C LEU A 92 -2.951 3.785 -6.223 1.00 0.00 C ATOM 1528 O LEU A 92 -3.356 2.938 -7.019 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.614 4.560 -4.436 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.813 5.719 -3.456 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -5.900 5.391 -2.432 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.492 6.103 -2.787 1.00 0.00 C ATOM 0 H LEU A 92 -5.674 4.658 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.251 5.759 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.593 4.154 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.064 3.769 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.154 6.588 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.021 6.231 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.842 5.205 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.613 4.503 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.661 6.929 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.099 5.246 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.774 6.408 -3.548 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.723 3.822 -5.727 1.00 0.00 N ATOM 1545 CA GLU A 93 -0.734 2.826 -6.104 1.00 0.00 C ATOM 1546 C GLU A 93 0.000 2.312 -4.864 1.00 0.00 C ATOM 1547 O GLU A 93 1.004 2.889 -4.448 1.00 0.00 O ATOM 1548 CB GLU A 93 0.251 3.392 -7.128 1.00 0.00 C ATOM 1549 CG GLU A 93 1.483 2.494 -7.259 1.00 0.00 C ATOM 1550 CD GLU A 93 2.230 2.774 -8.565 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.824 2.183 -9.589 1.00 0.00 O ATOM 1552 OE2 GLU A 93 3.190 3.573 -8.509 1.00 0.00 O ATOM 0 H GLU A 93 -1.390 4.526 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.251 1.987 -6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.240 3.486 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.557 4.394 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.149 2.659 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.180 1.448 -7.227 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.529 1.232 -4.307 1.00 0.00 N ATOM 1560 CA ILE A 94 0.063 0.634 -3.123 1.00 0.00 C ATOM 1561 C ILE A 94 0.987 -0.511 -3.543 1.00 0.00 C ATOM 1562 O ILE A 94 0.665 -1.271 -4.456 1.00 0.00 O ATOM 1563 CB ILE A 94 -1.025 0.214 -2.133 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.080 1.312 -1.981 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.418 -0.188 -0.788 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.067 1.290 -3.150 1.00 0.00 C ATOM 0 H ILE A 94 -1.361 0.756 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 94 0.677 1.363 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.530 -0.665 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.619 1.176 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.592 2.285 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.213 -0.482 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.264 -1.026 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.128 0.657 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.806 2.080 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.528 1.450 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.571 0.324 -3.183 1.00 0.00 H new ATOM 1578 N THR A 95 2.117 -0.600 -2.857 1.00 0.00 N ATOM 1579 CA THR A 95 3.089 -1.640 -3.148 1.00 0.00 C ATOM 1580 C THR A 95 3.751 -2.127 -1.857 1.00 0.00 C ATOM 1581 O THR A 95 3.886 -1.367 -0.899 1.00 0.00 O ATOM 1582 CB THR A 95 4.085 -1.084 -4.168 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.138 0.310 -3.879 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.551 -1.147 -5.601 1.00 0.00 C ATOM 0 H THR A 95 2.381 0.031 -2.100 1.00 0.00 H new ATOM 0 HA THR A 95 2.611 -2.518 -3.583 1.00 0.00 H new ATOM 0 HB THR A 95 5.020 -1.641 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.634 0.772 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.296 -0.740 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.342 -2.183 -5.866 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.634 -0.562 -5.674 1.00 0.00 H new ATOM 1592 N LEU A 96 4.146 -3.391 -1.874 1.00 0.00 N ATOM 1593 CA LEU A 96 4.790 -3.989 -0.716 1.00 0.00 C ATOM 1594 C LEU A 96 6.233 -4.352 -1.072 1.00 0.00 C ATOM 1595 O LEU A 96 6.485 -4.970 -2.106 1.00 0.00 O ATOM 1596 CB LEU A 96 3.969 -5.171 -0.197 1.00 0.00 C ATOM 1597 CG LEU A 96 4.318 -5.664 1.209 1.00 0.00 C ATOM 1598 CD1 LEU A 96 4.262 -4.518 2.221 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.421 -6.834 1.618 1.00 0.00 C ATOM 0 H LEU A 96 4.033 -4.018 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 96 4.833 -3.275 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.916 -4.890 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.087 -6.003 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 96 5.343 -6.033 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.514 -4.895 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.975 -3.745 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.257 -4.096 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.690 -7.165 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.379 -6.514 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.554 -7.657 0.916 1.00 0.00 H new ATOM 1611 N TRP A 97 7.143 -3.953 -0.196 1.00 0.00 N ATOM 1612 CA TRP A 97 8.555 -4.229 -0.405 1.00 0.00 C ATOM 1613 C TRP A 97 9.145 -4.705 0.924 1.00 0.00 C ATOM 1614 O TRP A 97 8.486 -4.636 1.961 1.00 0.00 O ATOM 1615 CB TRP A 97 9.274 -3.005 -0.974 1.00 0.00 C ATOM 1616 CG TRP A 97 8.378 -2.091 -1.813 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.438 -1.238 -1.383 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.376 -1.972 -3.251 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.833 -0.581 -2.435 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.422 -1.041 -3.607 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.156 -2.630 -4.219 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.157 -0.684 -4.935 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 8.879 -2.261 -5.541 1.00 0.00 C ATOM 1624 CH2 TRP A 97 7.922 -1.326 -5.916 1.00 0.00 C ATOM 0 H TRP A 97 6.931 -3.441 0.660 1.00 0.00 H new ATOM 0 HA TRP A 97 8.689 -5.016 -1.147 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.695 -2.428 -0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 97 10.110 -3.340 -1.588 1.00 0.00 H new ATOM 0 HD1 TRP A 97 7.186 -1.084 -0.344 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.090 0.114 -2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 97 9.908 -3.361 -3.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.403 0.047 -5.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.450 -2.737 -6.325 1.00 0.00 H new ATOM 0 HH2 TRP A 97 7.769 -1.096 -6.960 1.00 0.00 H new ATOM 1635 N ASP A 98 10.381 -5.177 0.851 1.00 0.00 N ATOM 1636 CA ASP A 98 11.068 -5.663 2.035 1.00 0.00 C ATOM 1637 C ASP A 98 12.431 -4.978 2.147 1.00 0.00 C ATOM 1638 O ASP A 98 13.299 -5.174 1.298 1.00 0.00 O ATOM 1639 CB ASP A 98 11.302 -7.173 1.955 1.00 0.00 C ATOM 1640 CG ASP A 98 12.536 -7.677 2.707 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.923 -6.997 3.682 1.00 0.00 O ATOM 1642 OD2 ASP A 98 13.063 -8.730 2.290 1.00 0.00 O ATOM 0 H ASP A 98 10.924 -5.233 -0.010 1.00 0.00 H new ATOM 0 HA ASP A 98 10.445 -5.440 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.422 -7.683 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.393 -7.456 0.906 1.00 0.00 H new ATOM 1647 N GLN A 99 12.577 -4.189 3.201 1.00 0.00 N ATOM 1648 CA GLN A 99 13.820 -3.474 3.435 1.00 0.00 C ATOM 1649 C GLN A 99 14.999 -4.450 3.448 1.00 0.00 C ATOM 1650 O GLN A 99 15.221 -5.147 4.436 1.00 0.00 O ATOM 1651 CB GLN A 99 13.756 -2.674 4.737 1.00 0.00 C ATOM 1652 CG GLN A 99 14.305 -1.260 4.539 1.00 0.00 C ATOM 1653 CD GLN A 99 15.659 -1.095 5.233 1.00 0.00 C ATOM 1654 OE1 GLN A 99 16.349 -2.053 5.540 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.998 0.171 5.463 1.00 0.00 N ATOM 0 H GLN A 99 11.855 -4.029 3.903 1.00 0.00 H new ATOM 0 HA GLN A 99 13.968 -2.766 2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.725 -2.622 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.329 -3.185 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.411 -1.053 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.597 -0.532 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.373 0.926 5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.883 0.387 5.922 1.00 0.00 H new ATOM 1809 N PHE A 109 10.637 -6.151 -3.741 1.00 0.00 N ATOM 1810 CA PHE A 109 9.256 -5.975 -4.156 1.00 0.00 C ATOM 1811 C PHE A 109 8.465 -7.275 -3.994 1.00 0.00 C ATOM 1812 O PHE A 109 8.631 -8.209 -4.777 1.00 0.00 O ATOM 1813 CB PHE A 109 9.280 -5.588 -5.636 1.00 0.00 C ATOM 1814 CG PHE A 109 7.896 -5.529 -6.286 1.00 0.00 C ATOM 1815 CD1 PHE A 109 6.986 -4.609 -5.868 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.575 -6.398 -7.283 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.702 -4.554 -6.471 1.00 0.00 C ATOM 1818 CE2 PHE A 109 6.291 -6.343 -7.886 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.381 -5.422 -7.468 1.00 0.00 C ATOM 0 HA PHE A 109 8.778 -5.211 -3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.760 -4.615 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.895 -6.306 -6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.240 -3.920 -5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 109 8.297 -7.129 -7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.980 -3.823 -6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.036 -7.033 -8.677 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.404 -5.380 -7.927 1.00 0.00 H new ATOM 1829 N LEU A 110 7.622 -7.293 -2.972 1.00 0.00 N ATOM 1830 CA LEU A 110 6.804 -8.462 -2.697 1.00 0.00 C ATOM 1831 C LEU A 110 5.651 -8.520 -3.700 1.00 0.00 C ATOM 1832 O LEU A 110 5.343 -9.584 -4.237 1.00 0.00 O ATOM 1833 CB LEU A 110 6.350 -8.466 -1.236 1.00 0.00 C ATOM 1834 CG LEU A 110 7.463 -8.515 -0.187 1.00 0.00 C ATOM 1835 CD1 LEU A 110 6.898 -8.323 1.222 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.275 -9.806 -0.308 1.00 0.00 C ATOM 0 H LEU A 110 7.488 -6.517 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 110 7.386 -9.374 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.751 -7.572 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.695 -9.324 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 110 8.146 -7.687 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.710 -8.362 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.401 -7.355 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.180 -9.115 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.059 -9.815 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.619 -10.664 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.726 -9.860 -1.299 1.00 0.00 H new ATOM 1848 N GLY A 111 5.043 -7.364 -3.922 1.00 0.00 N ATOM 1849 CA GLY A 111 3.930 -7.270 -4.852 1.00 0.00 C ATOM 1850 C GLY A 111 3.399 -5.837 -4.928 1.00 0.00 C ATOM 1851 O GLY A 111 3.874 -4.957 -4.213 1.00 0.00 O ATOM 0 H GLY A 111 5.300 -6.484 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.250 -7.596 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.131 -7.942 -4.538 1.00 0.00 H new ATOM 1855 N GLU A 112 2.421 -5.649 -5.802 1.00 0.00 N ATOM 1856 CA GLU A 112 1.821 -4.338 -5.981 1.00 0.00 C ATOM 1857 C GLU A 112 0.295 -4.447 -5.970 1.00 0.00 C ATOM 1858 O GLU A 112 -0.272 -5.344 -6.592 1.00 0.00 O ATOM 1859 CB GLU A 112 2.314 -3.681 -7.272 1.00 0.00 C ATOM 1860 CG GLU A 112 1.685 -4.344 -8.500 1.00 0.00 C ATOM 1861 CD GLU A 112 2.729 -4.572 -9.595 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.351 -3.568 -10.003 1.00 0.00 O ATOM 1863 OE2 GLU A 112 2.881 -5.745 -9.998 1.00 0.00 O ATOM 0 H GLU A 112 2.030 -6.382 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 112 2.127 -3.703 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.067 -2.619 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.400 -3.755 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.238 -5.296 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.881 -3.717 -8.884 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.327 -3.521 -5.255 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.777 -3.502 -5.154 1.00 0.00 C ATOM 1872 C ILE A 113 -2.303 -2.166 -5.681 1.00 0.00 C ATOM 1873 O ILE A 113 -2.217 -1.147 -4.996 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.218 -3.816 -3.723 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.599 -5.126 -3.233 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.744 -3.825 -3.609 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -2.068 -5.458 -1.814 1.00 0.00 C ATOM 0 H ILE A 113 0.146 -2.779 -4.740 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.213 -4.284 -5.776 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.851 -3.023 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.872 -5.936 -3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.512 -5.048 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.031 -4.051 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.136 -2.847 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.154 -4.584 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.613 -6.394 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.772 -4.657 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.153 -5.559 -1.804 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.837 -2.213 -6.892 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.377 -1.018 -7.519 1.00 0.00 C ATOM 1891 C LEU A 114 -4.890 -0.972 -7.300 1.00 0.00 C ATOM 1892 O LEU A 114 -5.573 -1.985 -7.447 1.00 0.00 O ATOM 1893 CB LEU A 114 -2.966 -0.953 -8.991 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.734 -0.102 -9.307 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -2.124 1.356 -9.558 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.681 -0.232 -8.205 1.00 0.00 C ATOM 0 H LEU A 114 -2.908 -3.060 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.960 -0.123 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.781 -1.969 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.807 -0.566 -9.566 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.286 -0.478 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.230 1.939 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.811 1.409 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.609 1.761 -8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.184 0.383 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.103 0.102 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.373 -1.274 -8.117 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.370 0.212 -6.952 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.791 0.403 -6.712 1.00 0.00 C ATOM 1910 C ILE A 115 -7.241 1.716 -7.355 1.00 0.00 C ATOM 1911 O ILE A 115 -6.731 2.784 -7.018 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.097 0.315 -5.215 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.956 -1.122 -4.710 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.476 0.899 -4.903 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.071 -1.181 -3.464 1.00 0.00 C ATOM 0 H ILE A 115 -4.801 1.049 -6.830 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.367 -0.395 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.363 0.918 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.941 -1.529 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.528 -1.746 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.669 0.824 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.504 1.946 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.238 0.343 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.987 -2.214 -3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.080 -0.796 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.514 -0.575 -2.674 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.191 1.595 -8.271 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.715 2.759 -8.964 1.00 0.00 C ATOM 1929 C GLU A 116 -9.761 3.465 -8.100 1.00 0.00 C ATOM 1930 O GLU A 116 -10.841 2.927 -7.862 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.299 2.369 -10.324 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.216 1.804 -11.245 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.733 1.664 -12.678 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.809 1.049 -12.836 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -8.040 2.176 -13.583 1.00 0.00 O ATOM 0 H GLU A 116 -8.611 0.708 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.893 3.452 -9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.087 1.628 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.759 3.241 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.344 2.458 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.890 0.832 -10.875 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.404 4.660 -7.654 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.298 5.446 -6.821 1.00 0.00 C ATOM 1944 C LEU A 117 -11.708 5.405 -7.414 1.00 0.00 C ATOM 1945 O LEU A 117 -12.695 5.473 -6.683 1.00 0.00 O ATOM 1946 CB LEU A 117 -9.751 6.863 -6.634 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.432 6.976 -5.866 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.233 8.393 -5.325 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.351 5.923 -4.758 1.00 0.00 C ATOM 0 H LEU A 117 -8.507 5.103 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.359 5.019 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -9.615 7.312 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.503 7.456 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.615 6.778 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.289 8.446 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.216 9.100 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.052 8.644 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.404 6.025 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.175 6.066 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.416 4.927 -5.197 1.00 0.00 H new ATOM 1961 N GLU A 118 -11.757 5.295 -8.733 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.030 5.244 -9.433 1.00 0.00 C ATOM 1963 C GLU A 118 -13.872 4.075 -8.918 1.00 0.00 C ATOM 1964 O GLU A 118 -15.021 4.262 -8.520 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.820 5.145 -10.945 1.00 0.00 C ATOM 1966 CG GLU A 118 -13.967 5.818 -11.703 1.00 0.00 C ATOM 1967 CD GLU A 118 -13.683 5.857 -13.206 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -12.528 6.183 -13.557 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -14.626 5.560 -13.970 1.00 0.00 O ATOM 0 H GLU A 118 -10.936 5.240 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.570 6.170 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.875 5.615 -11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.751 4.098 -11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.896 5.278 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.109 6.832 -11.330 1.00 0.00 H new ATOM 1976 N THR A 119 -13.269 2.896 -8.944 1.00 0.00 N ATOM 1977 CA THR A 119 -13.950 1.697 -8.485 1.00 0.00 C ATOM 1978 C THR A 119 -13.433 1.286 -7.104 1.00 0.00 C ATOM 1979 O THR A 119 -13.474 0.110 -6.747 1.00 0.00 O ATOM 1980 CB THR A 119 -13.767 0.613 -9.549 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.357 0.413 -9.603 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.127 1.104 -10.953 1.00 0.00 C ATOM 0 H THR A 119 -12.316 2.745 -9.276 1.00 0.00 H new ATOM 0 HA THR A 119 -15.018 1.872 -8.359 1.00 0.00 H new ATOM 0 HB THR A 119 -14.383 -0.250 -9.297 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.150 -0.276 -10.268 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.979 0.296 -11.670 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.170 1.420 -10.972 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.488 1.946 -11.219 1.00 0.00 H new ATOM 1990 N ALA A 120 -12.960 2.279 -6.366 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.436 2.036 -5.032 1.00 0.00 C ATOM 1992 C ALA A 120 -13.594 1.715 -4.085 1.00 0.00 C ATOM 1993 O ALA A 120 -14.759 1.866 -4.450 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.626 3.249 -4.572 1.00 0.00 C ATOM 0 H ALA A 120 -12.928 3.253 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.764 1.178 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.233 3.066 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.799 3.417 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.268 4.130 -4.554 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.233 1.279 -2.887 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.228 0.937 -1.885 1.00 0.00 C ATOM 2002 C LEU A 121 -13.946 1.723 -0.603 1.00 0.00 C ATOM 2003 O LEU A 121 -12.925 1.510 0.049 1.00 0.00 O ATOM 2004 CB LEU A 121 -14.279 -0.578 -1.677 1.00 0.00 C ATOM 2005 CG LEU A 121 -14.505 -1.420 -2.935 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -13.822 -2.783 -2.813 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -15.998 -1.553 -3.245 1.00 0.00 C ATOM 0 H LEU A 121 -12.266 1.155 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.224 1.224 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -13.343 -0.893 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -15.075 -0.801 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 121 -14.045 -0.904 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.998 -3.361 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.750 -2.642 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -14.230 -3.319 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -16.131 -2.156 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.502 -2.035 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -16.426 -0.563 -3.406 1.00 0.00 H new ATOM 2019 N LEU A 122 -14.870 2.616 -0.280 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.733 3.436 0.913 1.00 0.00 C ATOM 2021 C LEU A 122 -15.968 3.251 1.797 1.00 0.00 C ATOM 2022 O LEU A 122 -17.029 3.803 1.512 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.462 4.893 0.533 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.955 5.132 -0.891 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -12.757 4.234 -1.204 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -15.083 4.959 -1.910 1.00 0.00 C ATOM 0 H LEU A 122 -15.716 2.790 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.870 3.117 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.382 5.461 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.730 5.300 1.231 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.611 6.164 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.416 4.424 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -11.949 4.449 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.051 3.189 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -14.696 5.134 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.479 3.946 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -15.878 5.674 -1.698 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.788 2.471 2.853 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.874 2.206 3.782 1.00 0.00 C ATOM 2040 C ASP A 123 -16.297 1.686 5.100 1.00 0.00 C ATOM 2041 O ASP A 123 -16.953 0.927 5.812 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.824 1.142 3.229 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.311 1.422 3.454 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.613 2.112 4.452 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -20.112 0.941 2.624 1.00 0.00 O ATOM 0 H ASP A 123 -14.906 2.014 3.086 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.423 3.136 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.647 1.040 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.577 0.184 3.686 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.076 2.115 5.385 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.404 1.702 6.605 1.00 0.00 C ATOM 2052 C ASP A 124 -14.498 0.181 6.744 1.00 0.00 C ATOM 2053 O ASP A 124 -14.741 -0.332 7.835 1.00 0.00 O ATOM 2054 CB ASP A 124 -15.060 2.331 7.835 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.104 2.649 8.986 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -12.882 2.669 8.721 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -14.615 2.865 10.106 1.00 0.00 O ATOM 0 H ASP A 124 -14.535 2.744 4.792 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.365 2.027 6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.558 3.252 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -15.833 1.656 8.201 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.301 -0.497 5.623 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.361 -1.949 5.607 1.00 0.00 C ATOM 2064 C GLU A 125 -13.024 -2.530 5.140 1.00 0.00 C ATOM 2065 O GLU A 125 -12.524 -2.168 4.076 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.510 -2.440 4.724 1.00 0.00 C ATOM 2067 CG GLU A 125 -16.792 -2.617 5.541 1.00 0.00 C ATOM 2068 CD GLU A 125 -18.013 -2.136 4.755 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -18.062 -2.436 3.543 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -18.871 -1.480 5.384 1.00 0.00 O ATOM 0 H GLU A 125 -14.100 -0.068 4.720 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.552 -2.297 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.684 -1.728 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.237 -3.387 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.916 -3.667 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.713 -2.059 6.474 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.470 -3.444 5.981 1.00 0.00 N ATOM 2078 CA PRO A 126 -11.202 -4.079 5.665 1.00 0.00 C ATOM 2079 C PRO A 126 -11.374 -5.136 4.573 1.00 0.00 C ATOM 2080 O PRO A 126 -12.200 -6.038 4.702 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.714 -4.660 6.983 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.937 -4.735 7.883 1.00 0.00 C ATOM 2083 CD PRO A 126 -13.035 -3.897 7.249 1.00 0.00 C ATOM 0 HA PRO A 126 -10.472 -3.380 5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.276 -5.647 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.942 -4.031 7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.264 -5.769 7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.701 -4.363 8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.940 -4.484 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.307 -3.055 7.885 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.581 -4.989 3.522 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.635 -5.920 2.407 1.00 0.00 C ATOM 2093 C HIS A 127 -9.242 -6.500 2.154 1.00 0.00 C ATOM 2094 O HIS A 127 -8.244 -5.787 2.246 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.233 -5.250 1.168 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.739 -5.139 1.196 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -13.399 -4.006 1.638 1.00 0.00 N ATOM 2098 CD2 HIS A 127 -13.705 -6.030 0.832 1.00 0.00 C ATOM 2099 CE1 HIS A 127 -14.703 -4.217 1.540 1.00 0.00 C ATOM 2100 NE2 HIS A 127 -14.891 -5.472 1.041 1.00 0.00 N ATOM 0 H HIS A 127 -9.897 -4.239 3.419 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.296 -6.750 2.654 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -10.807 -4.252 1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.937 -5.814 0.284 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -12.957 -3.153 1.981 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.534 -7.022 0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -15.481 -3.518 1.808 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.220 -7.787 1.841 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.966 -8.470 1.574 1.00 0.00 C ATOM 2110 C TRP A 128 -7.718 -8.431 0.065 1.00 0.00 C ATOM 2111 O TRP A 128 -8.424 -9.086 -0.701 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.984 -9.891 2.140 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.937 -9.953 3.668 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.949 -10.176 4.517 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.770 -9.780 4.500 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.523 -10.159 5.829 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -7.155 -9.911 5.818 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.433 -9.522 4.149 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -6.264 -9.799 6.892 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.554 -9.413 5.234 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.926 -9.542 6.567 1.00 0.00 C ATOM 0 H TRP A 128 -10.050 -8.375 1.766 1.00 0.00 H new ATOM 0 HA TRP A 128 -7.139 -7.967 2.076 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.885 -10.398 1.794 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.134 -10.442 1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.971 -10.348 4.212 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -9.104 -10.302 6.655 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.110 -9.416 3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.591 -9.905 7.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.514 -9.215 5.020 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.187 -9.445 7.348 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.713 -7.657 -0.318 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.363 -7.525 -1.722 1.00 0.00 C ATOM 2134 C TYR A 129 -5.124 -8.356 -2.060 1.00 0.00 C ATOM 2135 O TYR A 129 -4.022 -8.043 -1.614 1.00 0.00 O ATOM 2136 CB TYR A 129 -6.044 -6.044 -1.939 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.198 -5.101 -1.592 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.373 -5.154 -2.314 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -7.063 -4.197 -0.558 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.459 -4.267 -1.987 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.149 -3.310 -0.231 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.293 -3.388 -0.962 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.319 -2.550 -0.654 1.00 0.00 O ATOM 0 H TYR A 129 -6.130 -7.115 0.320 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.178 -7.875 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.177 -5.778 -1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.765 -5.892 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.478 -5.861 -3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.143 -4.155 0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.384 -4.299 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -8.057 -2.599 0.577 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.060 -1.979 0.099 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.347 -9.400 -2.845 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.263 -10.279 -3.248 1.00 0.00 C ATOM 2155 C LYS A 130 -3.184 -9.458 -3.957 1.00 0.00 C ATOM 2156 O LYS A 130 -3.482 -8.441 -4.581 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.799 -11.443 -4.084 1.00 0.00 C ATOM 2158 CG LYS A 130 -4.860 -12.729 -3.257 1.00 0.00 C ATOM 2159 CD LYS A 130 -6.245 -12.915 -2.634 1.00 0.00 C ATOM 2160 CE LYS A 130 -7.047 -13.976 -3.390 1.00 0.00 C ATOM 2161 NZ LYS A 130 -8.451 -13.538 -3.564 1.00 0.00 N ATOM 0 H LYS A 130 -6.263 -9.657 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.796 -10.734 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.793 -11.199 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.160 -11.596 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.624 -13.584 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.105 -12.696 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.142 -13.208 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.784 -11.968 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.593 -14.158 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.019 -14.919 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.982 -14.269 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.886 -13.387 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.473 -12.650 -4.104 1.00 0.00 H new ATOM 2175 N LEU A 131 -1.952 -9.931 -3.838 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.827 -9.254 -4.460 1.00 0.00 C ATOM 2177 C LEU A 131 -0.604 -9.826 -5.861 1.00 0.00 C ATOM 2178 O LEU A 131 -0.899 -10.993 -6.113 1.00 0.00 O ATOM 2179 CB LEU A 131 0.409 -9.331 -3.561 1.00 0.00 C ATOM 2180 CG LEU A 131 0.267 -8.708 -2.171 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.934 -7.332 -2.116 1.00 0.00 C ATOM 2182 CD2 LEU A 131 -1.201 -8.650 -1.743 1.00 0.00 C ATOM 0 H LEU A 131 -1.708 -10.775 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.041 -8.192 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.682 -10.379 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.238 -8.842 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 131 0.786 -9.347 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.818 -6.911 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.994 -7.432 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.465 -6.671 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.274 -8.203 -0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.764 -8.047 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.613 -9.659 -1.717 1.00 0.00 H new ATOM 2194 N GLN A 132 -0.085 -8.977 -6.737 1.00 0.00 N ATOM 2195 CA GLN A 132 0.180 -9.383 -8.106 1.00 0.00 C ATOM 2196 C GLN A 132 1.618 -9.032 -8.495 1.00 0.00 C ATOM 2197 O GLN A 132 1.971 -7.857 -8.585 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.820 -8.745 -9.071 1.00 0.00 C ATOM 2199 CG GLN A 132 -0.619 -7.230 -9.146 1.00 0.00 C ATOM 2200 CD GLN A 132 -1.842 -6.544 -9.761 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -2.895 -6.438 -9.156 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -1.642 -6.087 -10.994 1.00 0.00 N ATOM 0 H GLN A 132 0.159 -8.010 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 132 0.060 -10.464 -8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.702 -9.181 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.837 -8.965 -8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -0.439 -6.833 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.266 -7.006 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.734 -6.210 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.397 -5.614 -11.491 1.00 0.00 H new