USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 721 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 61 THR OG1 : rot -170:sc= 0.643 USER MOD Set 1.2: A 82 SER OG : rot 31:sc= 0.345 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -1.55 K(o=-2.1,f=-4.3) USER MOD Set 2.2: A 77 MET CE :methyl -149:sc= -0.541 (180deg=-2.34!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 167:sc= 0.379 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.213) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0341 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -3.79! X(o=-3.8!,f=-4.2) USER MOD Single : A 43 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.08) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.13) USER MOD Single : A 53 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.243) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 1:sc= 0.472 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -1.22 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 5:sc= 0.231 USER MOD Single : A 79 CYS SG : rot 80:sc= -2.87 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.318 K(o=-0.32,f=-3.6!) USER MOD Single : A 98 CYS SG : rot 111:sc= -0.0732! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -3.023 7.865 17.666 1.00 0.00 N ATOM 88 CA PRO A 9 -3.023 7.442 16.276 1.00 0.00 C ATOM 89 C PRO A 9 -3.194 8.639 15.339 1.00 0.00 C ATOM 90 O PRO A 9 -4.112 9.440 15.510 1.00 0.00 O ATOM 91 CB PRO A 9 -4.160 6.438 16.171 1.00 0.00 C ATOM 92 CG PRO A 9 -5.045 6.681 17.383 1.00 0.00 C ATOM 93 CD PRO A 9 -4.270 7.552 18.358 1.00 0.00 C ATOM 0 HA PRO A 9 -2.079 6.988 15.974 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.719 6.576 15.245 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.780 5.417 16.164 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.972 7.171 17.087 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.320 5.736 17.851 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.823 8.458 18.606 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.082 7.027 19.295 1.00 0.00 H new ATOM 101 N ILE A 10 -2.296 8.723 14.369 1.00 0.00 N ATOM 102 CA ILE A 10 -2.335 9.809 13.404 1.00 0.00 C ATOM 103 C ILE A 10 -3.578 9.659 12.525 1.00 0.00 C ATOM 104 O ILE A 10 -4.215 10.649 12.170 1.00 0.00 O ATOM 105 CB ILE A 10 -1.027 9.872 12.614 1.00 0.00 C ATOM 106 CG1 ILE A 10 0.167 10.089 13.546 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.099 10.936 11.518 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.488 9.942 12.789 1.00 0.00 C ATOM 0 H ILE A 10 -1.536 8.056 14.230 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.418 10.769 13.914 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.880 8.911 12.121 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.108 11.082 13.993 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.130 9.369 14.363 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.156 10.960 10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.911 10.696 10.831 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.282 11.911 11.969 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.320 10.101 13.475 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.554 8.940 12.364 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.532 10.680 11.988 1.00 0.00 H new ATOM 120 N GLY A 11 -3.886 8.412 12.198 1.00 0.00 N ATOM 121 CA GLY A 11 -5.041 8.120 11.367 1.00 0.00 C ATOM 122 C GLY A 11 -5.214 6.611 11.180 1.00 0.00 C ATOM 123 O GLY A 11 -4.232 5.877 11.081 1.00 0.00 O ATOM 0 H GLY A 11 -3.355 7.593 12.494 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.938 8.539 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.925 8.600 10.395 1.00 0.00 H new ATOM 127 N GLU A 12 -6.471 6.192 11.137 1.00 0.00 N ATOM 128 CA GLU A 12 -6.785 4.785 10.963 1.00 0.00 C ATOM 129 C GLU A 12 -7.266 4.520 9.535 1.00 0.00 C ATOM 130 O GLU A 12 -7.498 5.456 8.771 1.00 0.00 O ATOM 131 CB GLU A 12 -7.825 4.325 11.986 1.00 0.00 C ATOM 132 CG GLU A 12 -7.264 4.394 13.408 1.00 0.00 C ATOM 133 CD GLU A 12 -8.256 5.070 14.357 1.00 0.00 C ATOM 134 OE1 GLU A 12 -8.950 5.998 13.886 1.00 0.00 O ATOM 135 OE2 GLU A 12 -8.298 4.644 15.531 1.00 0.00 O ATOM 0 H GLU A 12 -7.283 6.803 11.220 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.876 4.207 11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.715 4.950 11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.133 3.304 11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.042 3.388 13.764 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.324 4.946 13.405 1.00 0.00 H new ATOM 142 N ALA A 13 -7.403 3.241 9.218 1.00 0.00 N ATOM 143 CA ALA A 13 -7.853 2.842 7.895 1.00 0.00 C ATOM 144 C ALA A 13 -8.353 1.397 7.945 1.00 0.00 C ATOM 145 O ALA A 13 -7.692 0.527 8.510 1.00 0.00 O ATOM 146 CB ALA A 13 -6.715 3.030 6.890 1.00 0.00 C ATOM 0 H ALA A 13 -7.210 2.467 9.854 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.684 3.467 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.053 2.731 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.416 4.078 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.864 2.415 7.184 1.00 0.00 H new ATOM 152 N SER A 14 -9.517 1.186 7.348 1.00 0.00 N ATOM 153 CA SER A 14 -10.114 -0.138 7.318 1.00 0.00 C ATOM 154 C SER A 14 -9.846 -0.802 5.965 1.00 0.00 C ATOM 155 O SER A 14 -9.822 -0.131 4.935 1.00 0.00 O ATOM 156 CB SER A 14 -11.618 -0.071 7.588 1.00 0.00 C ATOM 157 OG SER A 14 -11.934 0.862 8.617 1.00 0.00 O ATOM 0 H SER A 14 -10.063 1.910 6.881 1.00 0.00 H new ATOM 0 HA SER A 14 -9.658 -0.737 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.139 0.209 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.980 -1.059 7.871 1.00 0.00 H new ATOM 0 HG SER A 14 -12.904 0.877 8.759 1.00 0.00 H new ATOM 163 N ILE A 15 -9.653 -2.112 6.013 1.00 0.00 N ATOM 164 CA ILE A 15 -9.388 -2.873 4.804 1.00 0.00 C ATOM 165 C ILE A 15 -10.713 -3.360 4.213 1.00 0.00 C ATOM 166 O ILE A 15 -11.442 -4.116 4.854 1.00 0.00 O ATOM 167 CB ILE A 15 -8.390 -3.998 5.087 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.976 -3.443 5.269 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.450 -5.071 3.998 1.00 0.00 C ATOM 170 CD1 ILE A 15 -6.024 -4.526 5.782 1.00 0.00 C ATOM 0 H ILE A 15 -9.675 -2.665 6.870 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.916 -2.241 4.052 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.671 -4.476 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.610 -3.052 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.996 -2.609 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.731 -5.859 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.453 -5.495 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.209 -4.624 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.026 -4.105 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.380 -4.898 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.988 -5.347 5.066 1.00 0.00 H new ATOM 182 N LEU A 16 -10.984 -2.908 2.998 1.00 0.00 N ATOM 183 CA LEU A 16 -12.208 -3.288 2.314 1.00 0.00 C ATOM 184 C LEU A 16 -11.946 -4.533 1.463 1.00 0.00 C ATOM 185 O LEU A 16 -12.783 -5.431 1.397 1.00 0.00 O ATOM 186 CB LEU A 16 -12.767 -2.106 1.519 1.00 0.00 C ATOM 187 CG LEU A 16 -12.635 -0.732 2.178 1.00 0.00 C ATOM 188 CD1 LEU A 16 -13.011 0.383 1.201 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.454 -0.663 3.469 1.00 0.00 C ATOM 0 H LEU A 16 -10.377 -2.282 2.469 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.982 -3.551 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.264 -2.073 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.823 -2.293 1.322 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.590 -0.582 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.909 1.349 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.350 0.346 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.043 0.249 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.343 0.324 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.505 -0.843 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.098 -1.421 4.167 1.00 0.00 H new ATOM 201 N ALA A 17 -10.781 -4.545 0.833 1.00 0.00 N ATOM 202 CA ALA A 17 -10.398 -5.665 -0.011 1.00 0.00 C ATOM 203 C ALA A 17 -8.894 -5.910 0.126 1.00 0.00 C ATOM 204 O ALA A 17 -8.151 -5.020 0.537 1.00 0.00 O ATOM 205 CB ALA A 17 -10.813 -5.380 -1.455 1.00 0.00 C ATOM 0 H ALA A 17 -10.089 -3.797 0.890 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.910 -6.575 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.526 -6.219 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.893 -5.242 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.316 -4.475 -1.805 1.00 0.00 H new ATOM 211 N THR A 18 -8.490 -7.122 -0.226 1.00 0.00 N ATOM 212 CA THR A 18 -7.088 -7.495 -0.148 1.00 0.00 C ATOM 213 C THR A 18 -6.711 -8.401 -1.322 1.00 0.00 C ATOM 214 O THR A 18 -7.441 -9.336 -1.649 1.00 0.00 O ATOM 215 CB THR A 18 -6.846 -8.140 1.219 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.490 -9.408 1.123 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.596 -7.425 2.344 1.00 0.00 C ATOM 0 H THR A 18 -9.109 -7.858 -0.566 1.00 0.00 H new ATOM 0 HA THR A 18 -6.441 -6.622 -0.231 1.00 0.00 H new ATOM 0 HB THR A 18 -5.778 -8.139 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.211 -9.974 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.390 -7.922 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.266 -6.388 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.667 -7.455 2.144 1.00 0.00 H new ATOM 225 N PHE A 19 -5.572 -8.091 -1.924 1.00 0.00 N ATOM 226 CA PHE A 19 -5.090 -8.865 -3.055 1.00 0.00 C ATOM 227 C PHE A 19 -3.563 -8.813 -3.144 1.00 0.00 C ATOM 228 O PHE A 19 -2.909 -8.207 -2.297 1.00 0.00 O ATOM 229 CB PHE A 19 -5.684 -8.234 -4.316 1.00 0.00 C ATOM 230 CG PHE A 19 -5.351 -6.750 -4.484 1.00 0.00 C ATOM 231 CD1 PHE A 19 -4.120 -6.374 -4.923 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.287 -5.806 -4.195 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.811 -4.997 -5.079 1.00 0.00 C ATOM 234 CE2 PHE A 19 -5.978 -4.429 -4.351 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.747 -4.053 -4.790 1.00 0.00 C ATOM 0 H PHE A 19 -4.969 -7.315 -1.650 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.386 -9.908 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.321 -8.778 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.767 -8.353 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.377 -7.123 -5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.265 -6.104 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.833 -4.699 -5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.721 -3.680 -4.121 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.513 -3.006 -4.909 1.00 0.00 H new ATOM 245 N THR A 20 -3.040 -9.457 -4.177 1.00 0.00 N ATOM 246 CA THR A 20 -1.603 -9.492 -4.387 1.00 0.00 C ATOM 247 C THR A 20 -1.244 -8.846 -5.727 1.00 0.00 C ATOM 248 O THR A 20 -2.107 -8.668 -6.585 1.00 0.00 O ATOM 249 CB THR A 20 -1.143 -10.946 -4.271 1.00 0.00 C ATOM 250 OG1 THR A 20 -1.967 -11.490 -3.243 1.00 0.00 O ATOM 251 CG2 THR A 20 0.277 -11.069 -3.713 1.00 0.00 C ATOM 0 H THR A 20 -3.586 -9.959 -4.878 1.00 0.00 H new ATOM 0 HA THR A 20 -1.079 -8.909 -3.630 1.00 0.00 H new ATOM 0 HB THR A 20 -1.190 -11.420 -5.251 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.737 -12.432 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.554 -12.121 -3.651 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.973 -10.549 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.317 -10.624 -2.719 1.00 0.00 H new ATOM 259 N VAL A 21 0.031 -8.514 -5.865 1.00 0.00 N ATOM 260 CA VAL A 21 0.515 -7.892 -7.086 1.00 0.00 C ATOM 261 C VAL A 21 1.879 -8.484 -7.449 1.00 0.00 C ATOM 262 O VAL A 21 2.557 -9.057 -6.598 1.00 0.00 O ATOM 263 CB VAL A 21 0.547 -6.372 -6.922 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.862 -5.782 -6.998 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.237 -5.976 -5.615 1.00 0.00 C ATOM 0 H VAL A 21 0.744 -8.664 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.161 -8.101 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 21 1.128 -5.959 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.810 -4.700 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.304 -6.019 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.477 -6.206 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.246 -4.890 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.696 -6.407 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.261 -6.349 -5.617 1.00 0.00 H new ATOM 275 N THR A 22 2.240 -8.323 -8.714 1.00 0.00 N ATOM 276 CA THR A 22 3.510 -8.834 -9.199 1.00 0.00 C ATOM 277 C THR A 22 4.531 -7.701 -9.316 1.00 0.00 C ATOM 278 O THR A 22 4.225 -6.638 -9.854 1.00 0.00 O ATOM 279 CB THR A 22 3.254 -9.560 -10.522 1.00 0.00 C ATOM 280 OG1 THR A 22 2.119 -10.378 -10.254 1.00 0.00 O ATOM 281 CG2 THR A 22 4.361 -10.559 -10.866 1.00 0.00 C ATOM 0 H THR A 22 1.675 -7.846 -9.417 1.00 0.00 H new ATOM 0 HA THR A 22 3.942 -9.548 -8.498 1.00 0.00 H new ATOM 0 HB THR A 22 3.163 -8.829 -11.326 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.882 -10.883 -11.060 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.130 -11.046 -11.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.312 -10.033 -10.951 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.430 -11.310 -10.079 1.00 0.00 H new ATOM 289 N GLU A 23 5.724 -7.966 -8.803 1.00 0.00 N ATOM 290 CA GLU A 23 6.792 -6.982 -8.843 1.00 0.00 C ATOM 291 C GLU A 23 8.145 -7.674 -9.017 1.00 0.00 C ATOM 292 O GLU A 23 8.723 -8.168 -8.050 1.00 0.00 O ATOM 293 CB GLU A 23 6.780 -6.108 -7.587 1.00 0.00 C ATOM 294 CG GLU A 23 5.349 -5.737 -7.191 1.00 0.00 C ATOM 295 CD GLU A 23 4.764 -4.703 -8.156 1.00 0.00 C ATOM 296 OE1 GLU A 23 5.314 -4.595 -9.273 1.00 0.00 O ATOM 297 OE2 GLU A 23 3.781 -4.045 -7.754 1.00 0.00 O ATOM 0 H GLU A 23 5.974 -8.849 -8.357 1.00 0.00 H new ATOM 0 HA GLU A 23 6.627 -6.330 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.263 -6.638 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.359 -5.202 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.725 -6.631 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.340 -5.339 -6.176 1.00 0.00 H new ATOM 304 N GLY A 24 8.612 -7.686 -10.257 1.00 0.00 N ATOM 305 CA GLY A 24 9.887 -8.310 -10.570 1.00 0.00 C ATOM 306 C GLY A 24 9.762 -9.834 -10.592 1.00 0.00 C ATOM 307 O GLY A 24 10.697 -10.543 -10.223 1.00 0.00 O ATOM 0 H GLY A 24 8.131 -7.274 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.240 -7.957 -11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.632 -8.013 -9.831 1.00 0.00 H new ATOM 311 N LYS A 25 8.598 -10.294 -11.028 1.00 0.00 N ATOM 312 CA LYS A 25 8.338 -11.721 -11.103 1.00 0.00 C ATOM 313 C LYS A 25 8.103 -12.267 -9.693 1.00 0.00 C ATOM 314 O LYS A 25 8.143 -13.478 -9.477 1.00 0.00 O ATOM 315 CB LYS A 25 9.463 -12.432 -11.857 1.00 0.00 C ATOM 316 CG LYS A 25 9.054 -13.856 -12.238 1.00 0.00 C ATOM 317 CD LYS A 25 9.885 -14.370 -13.416 1.00 0.00 C ATOM 318 CE LYS A 25 9.004 -14.620 -14.641 1.00 0.00 C ATOM 319 NZ LYS A 25 9.702 -14.200 -15.876 1.00 0.00 N ATOM 0 H LYS A 25 7.825 -9.703 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 25 7.431 -11.913 -11.676 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.715 -11.870 -12.756 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.359 -12.461 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.184 -14.517 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.996 -13.877 -12.499 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.660 -13.644 -13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.391 -15.293 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.748 -15.678 -14.703 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.068 -14.071 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.090 -14.377 -16.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.924 -13.185 -15.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.584 -14.742 -15.978 1.00 0.00 H new ATOM 333 N LYS A 26 7.862 -11.348 -8.769 1.00 0.00 N ATOM 334 CA LYS A 26 7.621 -11.722 -7.386 1.00 0.00 C ATOM 335 C LYS A 26 6.135 -11.545 -7.067 1.00 0.00 C ATOM 336 O LYS A 26 5.354 -11.146 -7.929 1.00 0.00 O ATOM 337 CB LYS A 26 8.548 -10.944 -6.451 1.00 0.00 C ATOM 338 CG LYS A 26 9.727 -11.810 -6.002 1.00 0.00 C ATOM 339 CD LYS A 26 10.104 -11.513 -4.549 1.00 0.00 C ATOM 340 CE LYS A 26 10.103 -10.006 -4.280 1.00 0.00 C ATOM 341 NZ LYS A 26 10.875 -9.699 -3.055 1.00 0.00 N ATOM 0 H LYS A 26 7.829 -10.345 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 26 7.859 -12.774 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.919 -10.054 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.989 -10.604 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.469 -12.864 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.585 -11.626 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.400 -12.006 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.090 -11.924 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.534 -9.478 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.078 -9.651 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.865 -8.673 -2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.447 -10.188 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.857 -10.021 -3.174 1.00 0.00 H new ATOM 355 N LYS A 27 5.789 -11.850 -5.825 1.00 0.00 N ATOM 356 CA LYS A 27 4.411 -11.730 -5.380 1.00 0.00 C ATOM 357 C LYS A 27 4.353 -10.816 -4.154 1.00 0.00 C ATOM 358 O LYS A 27 4.649 -11.246 -3.041 1.00 0.00 O ATOM 359 CB LYS A 27 3.800 -13.113 -5.146 1.00 0.00 C ATOM 360 CG LYS A 27 4.688 -13.955 -4.227 1.00 0.00 C ATOM 361 CD LYS A 27 3.849 -14.696 -3.184 1.00 0.00 C ATOM 362 CE LYS A 27 4.087 -14.127 -1.784 1.00 0.00 C ATOM 363 NZ LYS A 27 2.802 -13.941 -1.074 1.00 0.00 N ATOM 0 H LYS A 27 6.440 -12.180 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 27 3.800 -11.265 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.809 -13.007 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.670 -13.624 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.255 -14.673 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.413 -13.313 -3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.792 -14.615 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.100 -15.757 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.729 -14.800 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.610 -13.174 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.968 -13.954 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.384 -13.028 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.150 -14.710 -1.329 1.00 0.00 H new ATOM 377 N ILE A 28 3.969 -9.572 -4.401 1.00 0.00 N ATOM 378 CA ILE A 28 3.868 -8.594 -3.331 1.00 0.00 C ATOM 379 C ILE A 28 2.403 -8.454 -2.910 1.00 0.00 C ATOM 380 O ILE A 28 1.558 -8.062 -3.713 1.00 0.00 O ATOM 381 CB ILE A 28 4.517 -7.274 -3.749 1.00 0.00 C ATOM 382 CG1 ILE A 28 5.746 -7.520 -4.626 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.847 -6.414 -2.527 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.644 -8.600 -4.020 1.00 0.00 C ATOM 0 H ILE A 28 3.724 -9.219 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 28 4.421 -8.930 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 28 3.799 -6.716 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.430 -7.823 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.309 -6.594 -4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.308 -5.481 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.931 -6.195 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.538 -6.953 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.510 -8.756 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.978 -8.283 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.085 -9.532 -3.933 1.00 0.00 H new ATOM 396 N PRO A 29 2.141 -8.791 -1.619 1.00 0.00 N ATOM 397 CA PRO A 29 0.794 -8.707 -1.082 1.00 0.00 C ATOM 398 C PRO A 29 0.399 -7.252 -0.819 1.00 0.00 C ATOM 399 O PRO A 29 1.151 -6.503 -0.197 1.00 0.00 O ATOM 400 CB PRO A 29 0.819 -9.553 0.180 1.00 0.00 C ATOM 401 CG PRO A 29 2.285 -9.699 0.555 1.00 0.00 C ATOM 402 CD PRO A 29 3.117 -9.260 -0.640 1.00 0.00 C ATOM 0 HA PRO A 29 0.040 -9.076 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.256 -9.075 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.361 -10.527 0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.519 -9.089 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.511 -10.732 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.816 -8.469 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.709 -10.086 -1.035 1.00 0.00 H new ATOM 410 N VAL A 30 -0.781 -6.895 -1.306 1.00 0.00 N ATOM 411 CA VAL A 30 -1.285 -5.544 -1.131 1.00 0.00 C ATOM 412 C VAL A 30 -2.616 -5.594 -0.379 1.00 0.00 C ATOM 413 O VAL A 30 -3.296 -6.619 -0.379 1.00 0.00 O ATOM 414 CB VAL A 30 -1.391 -4.845 -2.488 1.00 0.00 C ATOM 415 CG1 VAL A 30 -2.084 -3.488 -2.353 1.00 0.00 C ATOM 416 CG2 VAL A 30 -0.014 -4.696 -3.138 1.00 0.00 C ATOM 0 H VAL A 30 -1.402 -7.518 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.594 -4.954 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.002 -5.470 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.146 -3.012 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.088 -3.630 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.512 -2.853 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.118 -4.196 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.632 -4.104 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.427 -5.682 -3.287 1.00 0.00 H new ATOM 426 N ALA A 31 -2.949 -4.474 0.245 1.00 0.00 N ATOM 427 CA ALA A 31 -4.187 -4.377 1.000 1.00 0.00 C ATOM 428 C ALA A 31 -4.840 -3.020 0.730 1.00 0.00 C ATOM 429 O ALA A 31 -4.272 -1.978 1.054 1.00 0.00 O ATOM 430 CB ALA A 31 -3.898 -4.599 2.486 1.00 0.00 C ATOM 0 H ALA A 31 -2.383 -3.625 0.243 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.889 -5.149 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.827 -4.526 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.463 -5.588 2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.198 -3.841 2.838 1.00 0.00 H new ATOM 436 N ASP A 32 -6.024 -3.076 0.137 1.00 0.00 N ATOM 437 CA ASP A 32 -6.760 -1.864 -0.180 1.00 0.00 C ATOM 438 C ASP A 32 -7.616 -1.463 1.022 1.00 0.00 C ATOM 439 O ASP A 32 -8.581 -2.148 1.357 1.00 0.00 O ATOM 440 CB ASP A 32 -7.692 -2.083 -1.374 1.00 0.00 C ATOM 441 CG ASP A 32 -7.289 -1.347 -2.653 1.00 0.00 C ATOM 442 OD1 ASP A 32 -6.165 -0.800 -2.663 1.00 0.00 O ATOM 443 OD2 ASP A 32 -8.113 -1.350 -3.593 1.00 0.00 O ATOM 0 H ASP A 32 -6.492 -3.942 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.038 -1.085 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.740 -3.151 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.697 -1.769 -1.093 1.00 0.00 H new ATOM 448 N CYS A 33 -7.233 -0.354 1.638 1.00 0.00 N ATOM 449 CA CYS A 33 -7.954 0.147 2.795 1.00 0.00 C ATOM 450 C CYS A 33 -8.418 1.573 2.492 1.00 0.00 C ATOM 451 O CYS A 33 -7.724 2.322 1.807 1.00 0.00 O ATOM 452 CB CYS A 33 -7.102 0.081 4.064 1.00 0.00 C ATOM 453 SG CYS A 33 -5.400 0.651 3.706 1.00 0.00 S ATOM 0 H CYS A 33 -6.432 0.212 1.357 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.823 -0.483 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.546 0.701 4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.080 -0.940 4.444 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.686 0.593 4.791 1.00 0.00 H new ATOM 459 N ARG A 34 -9.588 1.905 3.019 1.00 0.00 N ATOM 460 CA ARG A 34 -10.152 3.228 2.813 1.00 0.00 C ATOM 461 C ARG A 34 -9.987 4.077 4.075 1.00 0.00 C ATOM 462 O ARG A 34 -10.492 3.720 5.138 1.00 0.00 O ATOM 463 CB ARG A 34 -11.637 3.143 2.454 1.00 0.00 C ATOM 464 CG ARG A 34 -12.234 4.538 2.258 1.00 0.00 C ATOM 465 CD ARG A 34 -12.503 4.817 0.778 1.00 0.00 C ATOM 466 NE ARG A 34 -13.749 5.601 0.629 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.978 5.098 0.804 1.00 0.00 C ATOM 468 NH1 ARG A 34 -15.134 3.809 1.135 1.00 0.00 N ATOM 469 NH2 ARG A 34 -16.052 5.884 0.647 1.00 0.00 N ATOM 0 H ARG A 34 -10.160 1.281 3.588 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.616 3.693 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.762 2.559 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.176 2.620 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.163 4.622 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.551 5.289 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.666 5.364 0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.587 3.877 0.232 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.667 6.586 0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.317 3.210 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.070 3.426 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.933 6.865 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.988 5.501 0.780 1.00 0.00 H new ATOM 483 N VAL A 35 -9.278 5.185 3.916 1.00 0.00 N ATOM 484 CA VAL A 35 -9.040 6.088 5.029 1.00 0.00 C ATOM 485 C VAL A 35 -10.380 6.614 5.549 1.00 0.00 C ATOM 486 O VAL A 35 -11.104 7.299 4.829 1.00 0.00 O ATOM 487 CB VAL A 35 -8.085 7.205 4.602 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.762 8.129 5.778 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.807 6.628 3.989 1.00 0.00 C ATOM 0 H VAL A 35 -8.861 5.478 3.033 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.556 5.561 5.851 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.584 7.800 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.082 8.914 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.682 8.579 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.292 7.553 6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.145 7.442 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.303 5.999 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.061 6.031 3.113 1.00 0.00 H new ATOM 499 N GLN A 36 -10.669 6.272 6.796 1.00 0.00 N ATOM 500 CA GLN A 36 -11.909 6.701 7.421 1.00 0.00 C ATOM 501 C GLN A 36 -11.695 8.011 8.181 1.00 0.00 C ATOM 502 O GLN A 36 -12.582 8.862 8.220 1.00 0.00 O ATOM 503 CB GLN A 36 -12.461 5.614 8.345 1.00 0.00 C ATOM 504 CG GLN A 36 -12.880 4.377 7.549 1.00 0.00 C ATOM 505 CD GLN A 36 -14.353 4.042 7.790 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.728 3.461 8.796 1.00 0.00 O ATOM 507 NE2 GLN A 36 -15.165 4.439 6.815 1.00 0.00 N ATOM 0 H GLN A 36 -10.066 5.703 7.390 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.647 6.875 6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.705 5.339 9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.317 6.002 8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.712 4.550 6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.259 3.528 7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.786 4.921 6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.167 4.262 6.882 1.00 0.00 H new ATOM 516 N LYS A 37 -10.512 8.132 8.767 1.00 0.00 N ATOM 517 CA LYS A 37 -10.170 9.324 9.524 1.00 0.00 C ATOM 518 C LYS A 37 -8.665 9.578 9.415 1.00 0.00 C ATOM 519 O LYS A 37 -7.874 8.636 9.391 1.00 0.00 O ATOM 520 CB LYS A 37 -10.671 9.206 10.964 1.00 0.00 C ATOM 521 CG LYS A 37 -12.200 9.212 11.015 1.00 0.00 C ATOM 522 CD LYS A 37 -12.701 9.274 12.460 1.00 0.00 C ATOM 523 CE LYS A 37 -14.228 9.199 12.515 1.00 0.00 C ATOM 524 NZ LYS A 37 -14.706 9.388 13.903 1.00 0.00 N ATOM 0 H LYS A 37 -9.779 7.424 8.732 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.672 10.197 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.292 8.286 11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.281 10.033 11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.583 10.067 10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.587 8.316 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.272 8.452 13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.362 10.199 12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.659 9.963 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.565 8.234 12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.744 9.334 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.309 8.644 14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.401 10.319 14.252 1.00 0.00 H new ATOM 538 N GLY A 38 -8.316 10.854 9.351 1.00 0.00 N ATOM 539 CA GLY A 38 -6.920 11.243 9.245 1.00 0.00 C ATOM 540 C GLY A 38 -6.331 10.812 7.900 1.00 0.00 C ATOM 541 O GLY A 38 -7.033 10.788 6.890 1.00 0.00 O ATOM 0 H GLY A 38 -8.975 11.632 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.831 12.324 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.350 10.791 10.057 1.00 0.00 H new ATOM 545 N GLN A 39 -5.048 10.483 7.931 1.00 0.00 N ATOM 546 CA GLN A 39 -4.357 10.054 6.727 1.00 0.00 C ATOM 547 C GLN A 39 -3.350 8.950 7.058 1.00 0.00 C ATOM 548 O GLN A 39 -3.054 8.705 8.226 1.00 0.00 O ATOM 549 CB GLN A 39 -3.670 11.235 6.039 1.00 0.00 C ATOM 550 CG GLN A 39 -2.877 12.071 7.046 1.00 0.00 C ATOM 551 CD GLN A 39 -2.170 13.238 6.354 1.00 0.00 C ATOM 552 OE1 GLN A 39 -2.708 13.891 5.475 1.00 0.00 O ATOM 553 NE2 GLN A 39 -0.936 13.463 6.798 1.00 0.00 N ATOM 0 H GLN A 39 -4.469 10.505 8.771 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.094 9.650 6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.002 10.868 5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.417 11.860 5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.548 12.453 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.142 11.442 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.545 12.878 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.381 14.220 6.399 1.00 0.00 H new ATOM 562 N LEU A 40 -2.850 8.315 6.008 1.00 0.00 N ATOM 563 CA LEU A 40 -1.883 7.244 6.172 1.00 0.00 C ATOM 564 C LEU A 40 -0.558 7.655 5.525 1.00 0.00 C ATOM 565 O LEU A 40 -0.514 7.965 4.336 1.00 0.00 O ATOM 566 CB LEU A 40 -2.446 5.926 5.635 1.00 0.00 C ATOM 567 CG LEU A 40 -3.851 5.554 6.111 1.00 0.00 C ATOM 568 CD1 LEU A 40 -4.292 4.212 5.524 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.934 5.566 7.639 1.00 0.00 C ATOM 0 H LEU A 40 -3.097 8.522 5.040 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.682 7.071 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.454 5.974 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.765 5.122 5.914 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.546 6.310 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.294 3.972 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.297 4.275 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.599 3.432 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.944 5.298 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.225 4.846 8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.693 6.563 8.009 1.00 0.00 H new ATOM 581 N GLU A 41 0.488 7.645 6.338 1.00 0.00 N ATOM 582 CA GLU A 41 1.810 8.013 5.860 1.00 0.00 C ATOM 583 C GLU A 41 2.440 6.849 5.092 1.00 0.00 C ATOM 584 O GLU A 41 1.841 5.781 4.976 1.00 0.00 O ATOM 585 CB GLU A 41 2.708 8.456 7.017 1.00 0.00 C ATOM 586 CG GLU A 41 3.195 9.892 6.814 1.00 0.00 C ATOM 587 CD GLU A 41 4.552 9.917 6.109 1.00 0.00 C ATOM 588 OE1 GLU A 41 5.568 9.801 6.828 1.00 0.00 O ATOM 589 OE2 GLU A 41 4.544 10.050 4.866 1.00 0.00 O ATOM 0 H GLU A 41 0.447 7.388 7.324 1.00 0.00 H new ATOM 0 HA GLU A 41 1.706 8.858 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.159 8.384 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.564 7.786 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.465 10.447 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.273 10.393 7.779 1.00 0.00 H new ATOM 596 N ARG A 42 3.640 7.095 4.588 1.00 0.00 N ATOM 597 CA ARG A 42 4.358 6.081 3.834 1.00 0.00 C ATOM 598 C ARG A 42 5.572 5.591 4.626 1.00 0.00 C ATOM 599 O ARG A 42 5.923 4.414 4.567 1.00 0.00 O ATOM 600 CB ARG A 42 4.825 6.626 2.483 1.00 0.00 C ATOM 601 CG ARG A 42 5.745 5.627 1.777 1.00 0.00 C ATOM 602 CD ARG A 42 5.196 5.257 0.398 1.00 0.00 C ATOM 603 NE ARG A 42 6.305 5.155 -0.577 1.00 0.00 N ATOM 604 CZ ARG A 42 6.908 6.210 -1.141 1.00 0.00 C ATOM 605 NH1 ARG A 42 6.514 7.453 -0.831 1.00 0.00 N ATOM 606 NH2 ARG A 42 7.906 6.022 -2.016 1.00 0.00 N ATOM 0 H ARG A 42 4.134 7.982 4.687 1.00 0.00 H new ATOM 0 HA ARG A 42 3.674 5.251 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.961 6.837 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.351 7.569 2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.742 6.056 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.847 4.728 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.661 4.309 0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.479 6.009 0.069 1.00 0.00 H new ATOM 0 HE ARG A 42 6.630 4.223 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.755 7.596 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.974 8.256 -1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.206 5.076 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.365 6.825 -2.446 1.00 0.00 H new ATOM 620 N HIS A 43 6.180 6.519 5.350 1.00 0.00 N ATOM 621 CA HIS A 43 7.348 6.197 6.153 1.00 0.00 C ATOM 622 C HIS A 43 6.909 5.833 7.573 1.00 0.00 C ATOM 623 O HIS A 43 7.496 4.954 8.202 1.00 0.00 O ATOM 624 CB HIS A 43 8.362 7.341 6.120 1.00 0.00 C ATOM 625 CG HIS A 43 9.754 6.917 5.717 1.00 0.00 C ATOM 626 ND1 HIS A 43 10.655 7.777 5.114 1.00 0.00 N ATOM 627 CD2 HIS A 43 10.390 5.716 5.838 1.00 0.00 C ATOM 628 CE1 HIS A 43 11.779 7.113 4.885 1.00 0.00 C ATOM 629 NE2 HIS A 43 11.612 5.835 5.335 1.00 0.00 N ATOM 0 H HIS A 43 5.886 7.494 5.398 1.00 0.00 H new ATOM 0 HA HIS A 43 7.855 5.328 5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.011 8.104 5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.405 7.803 7.106 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.970 4.820 6.270 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.670 7.513 4.424 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.311 5.094 5.292 1.00 0.00 H new ATOM 637 N LYS A 44 5.881 6.529 8.037 1.00 0.00 N ATOM 638 CA LYS A 44 5.358 6.290 9.371 1.00 0.00 C ATOM 639 C LYS A 44 5.242 4.783 9.607 1.00 0.00 C ATOM 640 O LYS A 44 5.372 3.993 8.673 1.00 0.00 O ATOM 641 CB LYS A 44 4.044 7.047 9.574 1.00 0.00 C ATOM 642 CG LYS A 44 4.271 8.560 9.537 1.00 0.00 C ATOM 643 CD LYS A 44 4.995 9.037 10.797 1.00 0.00 C ATOM 644 CE LYS A 44 5.106 10.563 10.821 1.00 0.00 C ATOM 645 NZ LYS A 44 6.431 10.978 11.335 1.00 0.00 N ATOM 0 H LYS A 44 5.397 7.258 7.513 1.00 0.00 H new ATOM 0 HA LYS A 44 6.043 6.679 10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.333 6.763 8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.602 6.765 10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.857 8.822 8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.313 9.073 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.458 8.694 11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.991 8.596 10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.958 10.960 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.319 10.981 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.490 12.016 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.558 10.615 12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.177 10.595 10.720 1.00 0.00 H new ATOM 659 N LYS A 45 4.997 4.430 10.860 1.00 0.00 N ATOM 660 CA LYS A 45 4.862 3.031 11.230 1.00 0.00 C ATOM 661 C LYS A 45 3.390 2.625 11.145 1.00 0.00 C ATOM 662 O LYS A 45 2.502 3.468 11.264 1.00 0.00 O ATOM 663 CB LYS A 45 5.492 2.776 12.601 1.00 0.00 C ATOM 664 CG LYS A 45 6.924 2.257 12.459 1.00 0.00 C ATOM 665 CD LYS A 45 7.932 3.407 12.509 1.00 0.00 C ATOM 666 CE LYS A 45 8.942 3.201 13.640 1.00 0.00 C ATOM 667 NZ LYS A 45 9.941 2.177 13.263 1.00 0.00 N ATOM 0 H LYS A 45 4.888 5.088 11.632 1.00 0.00 H new ATOM 0 HA LYS A 45 5.408 2.398 10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.492 3.698 13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.892 2.052 13.152 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.138 1.546 13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.028 1.719 11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.457 3.477 11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.406 4.351 12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.444 4.142 13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.423 2.894 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.619 2.050 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.459 1.275 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.449 2.485 12.409 1.00 0.00 H new ATOM 681 N PHE A 46 3.175 1.334 10.940 1.00 0.00 N ATOM 682 CA PHE A 46 1.826 0.806 10.837 1.00 0.00 C ATOM 683 C PHE A 46 1.756 -0.628 11.366 1.00 0.00 C ATOM 684 O PHE A 46 2.779 -1.217 11.708 1.00 0.00 O ATOM 685 CB PHE A 46 1.456 0.808 9.352 1.00 0.00 C ATOM 686 CG PHE A 46 1.444 2.199 8.716 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.614 2.857 8.496 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.263 2.778 8.369 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.602 4.148 7.905 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.251 4.069 7.778 1.00 0.00 C ATOM 691 CZ PHE A 46 1.421 4.727 7.559 1.00 0.00 C ATOM 0 H PHE A 46 3.914 0.637 10.842 1.00 0.00 H new ATOM 0 HA PHE A 46 1.142 1.416 11.427 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.163 0.178 8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.471 0.357 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.552 2.398 8.771 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.666 2.255 8.543 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.531 4.670 7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.687 4.528 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.412 5.709 7.110 1.00 0.00 H new ATOM 701 N LYS A 47 0.538 -1.147 11.417 1.00 0.00 N ATOM 702 CA LYS A 47 0.321 -2.501 11.899 1.00 0.00 C ATOM 703 C LYS A 47 -1.037 -3.002 11.404 1.00 0.00 C ATOM 704 O LYS A 47 -1.955 -2.212 11.193 1.00 0.00 O ATOM 705 CB LYS A 47 0.482 -2.560 13.419 1.00 0.00 C ATOM 706 CG LYS A 47 -0.185 -1.357 14.089 1.00 0.00 C ATOM 707 CD LYS A 47 -0.455 -1.633 15.569 1.00 0.00 C ATOM 708 CE LYS A 47 -0.860 -0.352 16.301 1.00 0.00 C ATOM 709 NZ LYS A 47 -1.782 -0.661 17.416 1.00 0.00 N ATOM 0 H LYS A 47 -0.309 -0.655 11.133 1.00 0.00 H new ATOM 0 HA LYS A 47 1.076 -3.175 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.043 -3.482 13.799 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.541 -2.582 13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.455 -0.480 13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.122 -1.127 13.582 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.246 -2.377 15.665 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.437 -2.054 16.033 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.028 0.151 16.684 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.340 0.335 15.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.047 0.220 17.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.637 -1.121 17.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.312 -1.300 18.089 1.00 0.00 H new ATOM 723 N LEU A 48 -1.121 -4.313 11.232 1.00 0.00 N ATOM 724 CA LEU A 48 -2.351 -4.930 10.765 1.00 0.00 C ATOM 725 C LEU A 48 -3.055 -5.607 11.943 1.00 0.00 C ATOM 726 O LEU A 48 -2.499 -6.509 12.568 1.00 0.00 O ATOM 727 CB LEU A 48 -2.068 -5.871 9.593 1.00 0.00 C ATOM 728 CG LEU A 48 -3.294 -6.484 8.914 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.038 -5.439 8.080 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.906 -7.709 8.084 1.00 0.00 C ATOM 0 H LEU A 48 -0.357 -4.965 11.408 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.033 -4.174 10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.498 -5.323 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.431 -6.681 9.949 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.980 -6.825 9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.905 -5.901 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.367 -4.625 8.726 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.373 -5.046 7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.796 -8.126 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.191 -7.416 7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.454 -8.460 8.732 1.00 0.00 H new ATOM 742 N ILE A 49 -4.269 -5.148 12.209 1.00 0.00 N ATOM 743 CA ILE A 49 -5.055 -5.699 13.300 1.00 0.00 C ATOM 744 C ILE A 49 -6.187 -6.553 12.727 1.00 0.00 C ATOM 745 O ILE A 49 -7.068 -6.041 12.039 1.00 0.00 O ATOM 746 CB ILE A 49 -5.536 -4.583 14.230 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.354 -3.863 14.881 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.522 -5.122 15.269 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.560 -3.064 13.845 1.00 0.00 C ATOM 0 H ILE A 49 -4.728 -4.401 11.688 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.442 -6.355 13.918 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.070 -3.846 13.631 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.716 -3.194 15.662 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.701 -4.591 15.363 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.848 -4.309 15.917 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.386 -5.551 14.762 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.035 -5.891 15.869 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.725 -2.562 14.334 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.179 -3.739 13.079 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.210 -2.321 13.383 1.00 0.00 H new ATOM 761 N ARG A 50 -6.126 -7.841 13.032 1.00 0.00 N ATOM 762 CA ARG A 50 -7.135 -8.771 12.556 1.00 0.00 C ATOM 763 C ARG A 50 -7.816 -9.467 13.737 1.00 0.00 C ATOM 764 O ARG A 50 -7.190 -10.259 14.439 1.00 0.00 O ATOM 765 CB ARG A 50 -6.520 -9.828 11.636 1.00 0.00 C ATOM 766 CG ARG A 50 -7.594 -10.768 11.085 1.00 0.00 C ATOM 767 CD ARG A 50 -7.251 -11.219 9.664 1.00 0.00 C ATOM 768 NE ARG A 50 -5.916 -11.858 9.644 1.00 0.00 N ATOM 769 CZ ARG A 50 -5.672 -13.102 10.079 1.00 0.00 C ATOM 770 NH1 ARG A 50 -6.671 -13.848 10.570 1.00 0.00 N ATOM 771 NH2 ARG A 50 -4.429 -13.599 10.023 1.00 0.00 N ATOM 0 H ARG A 50 -5.393 -8.262 13.603 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.872 -8.199 11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.001 -9.340 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.775 -10.404 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.688 -11.639 11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.560 -10.263 11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.004 -11.920 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.264 -10.363 8.989 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.133 -11.318 9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.617 -13.469 10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.485 -14.795 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.669 -13.031 9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.243 -14.546 10.354 1.00 0.00 H new ATOM 785 N ASN A 51 -9.088 -9.145 13.918 1.00 0.00 N ATOM 786 CA ASN A 51 -9.860 -9.729 15.002 1.00 0.00 C ATOM 787 C ASN A 51 -9.502 -9.027 16.313 1.00 0.00 C ATOM 788 O ASN A 51 -10.021 -9.379 17.372 1.00 0.00 O ATOM 789 CB ASN A 51 -9.547 -11.218 15.162 1.00 0.00 C ATOM 790 CG ASN A 51 -10.805 -12.007 15.529 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.810 -11.979 14.837 1.00 0.00 O ATOM 792 ND2 ASN A 51 -10.695 -12.709 16.652 1.00 0.00 N ATOM 0 H ASN A 51 -9.603 -8.488 13.333 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.917 -9.606 14.767 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.128 -11.607 14.234 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.790 -11.353 15.935 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.481 -13.269 16.983 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.825 -12.688 17.183 1.00 0.00 H new ATOM 799 N GLY A 52 -8.618 -8.047 16.201 1.00 0.00 N ATOM 800 CA GLY A 52 -8.184 -7.293 17.364 1.00 0.00 C ATOM 801 C GLY A 52 -6.718 -7.583 17.690 1.00 0.00 C ATOM 802 O GLY A 52 -6.091 -6.850 18.455 1.00 0.00 O ATOM 0 H GLY A 52 -8.190 -7.758 15.322 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.315 -6.227 17.180 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.808 -7.548 18.221 1.00 0.00 H new ATOM 806 N GLN A 53 -6.212 -8.653 17.095 1.00 0.00 N ATOM 807 CA GLN A 53 -4.831 -9.049 17.312 1.00 0.00 C ATOM 808 C GLN A 53 -3.941 -8.503 16.194 1.00 0.00 C ATOM 809 O GLN A 53 -4.387 -8.350 15.059 1.00 0.00 O ATOM 810 CB GLN A 53 -4.707 -10.570 17.420 1.00 0.00 C ATOM 811 CG GLN A 53 -4.577 -11.208 16.035 1.00 0.00 C ATOM 812 CD GLN A 53 -4.897 -12.704 16.089 1.00 0.00 C ATOM 813 OE1 GLN A 53 -5.235 -13.256 17.123 1.00 0.00 O ATOM 814 NE2 GLN A 53 -4.771 -13.326 14.920 1.00 0.00 N ATOM 0 H GLN A 53 -6.734 -9.259 16.462 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.495 -8.623 18.257 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.837 -10.826 18.025 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.581 -10.975 17.930 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.253 -10.713 15.337 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.565 -11.062 15.657 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.484 -12.803 14.093 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.962 -14.326 14.851 1.00 0.00 H new ATOM 823 N VAL A 54 -2.697 -8.225 16.555 1.00 0.00 N ATOM 824 CA VAL A 54 -1.739 -7.700 15.597 1.00 0.00 C ATOM 825 C VAL A 54 -0.998 -8.863 14.934 1.00 0.00 C ATOM 826 O VAL A 54 -0.529 -9.773 15.614 1.00 0.00 O ATOM 827 CB VAL A 54 -0.800 -6.708 16.286 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.546 -6.634 15.561 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.444 -5.324 16.388 1.00 0.00 C ATOM 0 H VAL A 54 -2.330 -8.353 17.498 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.251 -7.148 14.808 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.617 -7.068 17.298 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.195 -5.922 16.071 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.015 -7.618 15.563 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.388 -6.309 14.533 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.756 -4.638 16.882 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.671 -4.954 15.388 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.365 -5.393 16.967 1.00 0.00 H new ATOM 839 N ILE A 55 -0.916 -8.794 13.613 1.00 0.00 N ATOM 840 CA ILE A 55 -0.240 -9.829 12.850 1.00 0.00 C ATOM 841 C ILE A 55 1.107 -9.297 12.358 1.00 0.00 C ATOM 842 O ILE A 55 2.111 -10.006 12.399 1.00 0.00 O ATOM 843 CB ILE A 55 -1.144 -10.345 11.729 1.00 0.00 C ATOM 844 CG1 ILE A 55 -1.955 -9.205 11.110 1.00 0.00 C ATOM 845 CG2 ILE A 55 -2.041 -11.481 12.226 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.277 -9.005 11.853 1.00 0.00 C ATOM 0 H ILE A 55 -1.307 -8.037 13.052 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.030 -10.692 13.482 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.511 -10.755 10.942 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.374 -8.283 11.140 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.153 -9.423 10.061 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.673 -11.829 11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.422 -12.304 12.582 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.668 -11.120 13.041 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.833 -8.189 11.392 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.866 -9.921 11.801 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.075 -8.763 12.896 1.00 0.00 H new ATOM 858 N TRP A 56 1.085 -8.053 11.904 1.00 0.00 N ATOM 859 CA TRP A 56 2.293 -7.417 11.404 1.00 0.00 C ATOM 860 C TRP A 56 2.488 -6.106 12.168 1.00 0.00 C ATOM 861 O TRP A 56 1.529 -5.372 12.402 1.00 0.00 O ATOM 862 CB TRP A 56 2.222 -7.221 9.888 1.00 0.00 C ATOM 863 CG TRP A 56 3.366 -6.382 9.315 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.561 -6.804 8.880 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.374 -4.951 9.132 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.335 -5.754 8.431 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.590 -4.591 8.589 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.385 -3.992 9.415 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.932 -3.268 8.283 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.742 -2.674 9.103 1.00 0.00 C ATOM 871 CH2 TRP A 56 3.963 -2.296 8.557 1.00 0.00 C ATOM 0 H TRP A 56 0.250 -7.468 11.872 1.00 0.00 H new ATOM 0 HA TRP A 56 3.162 -8.052 11.575 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.224 -8.198 9.405 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.274 -6.744 9.638 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.878 -7.836 8.881 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.280 -5.819 8.053 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.426 -4.251 9.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.891 -3.012 7.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.018 -1.897 9.300 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.163 -1.256 8.345 1.00 0.00 H new ATOM 882 N LYS A 57 3.735 -5.852 12.534 1.00 0.00 N ATOM 883 CA LYS A 57 4.068 -4.642 13.267 1.00 0.00 C ATOM 884 C LYS A 57 5.370 -4.059 12.715 1.00 0.00 C ATOM 885 O LYS A 57 6.432 -4.665 12.849 1.00 0.00 O ATOM 886 CB LYS A 57 4.107 -4.919 14.771 1.00 0.00 C ATOM 887 CG LYS A 57 5.110 -6.028 15.098 1.00 0.00 C ATOM 888 CD LYS A 57 4.445 -7.150 15.897 1.00 0.00 C ATOM 889 CE LYS A 57 4.465 -6.842 17.396 1.00 0.00 C ATOM 890 NZ LYS A 57 3.134 -7.088 17.994 1.00 0.00 N ATOM 0 H LYS A 57 4.528 -6.463 12.337 1.00 0.00 H new ATOM 0 HA LYS A 57 3.295 -3.887 13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.379 -4.009 15.305 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.115 -5.207 15.117 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.526 -6.431 14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.942 -5.614 15.668 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.416 -7.279 15.562 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.962 -8.091 15.709 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.213 -7.462 17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.756 -5.804 17.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.225 -7.157 19.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.495 -6.303 17.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.745 -7.977 17.621 1.00 0.00 H new ATOM 904 N GLY A 58 5.246 -2.889 12.106 1.00 0.00 N ATOM 905 CA GLY A 58 6.400 -2.217 11.533 1.00 0.00 C ATOM 906 C GLY A 58 5.970 -1.047 10.646 1.00 0.00 C ATOM 907 O GLY A 58 4.911 -0.458 10.861 1.00 0.00 O ATOM 0 H GLY A 58 4.364 -2.389 11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.047 -1.854 12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.984 -2.926 10.947 1.00 0.00 H new ATOM 911 N SER A 59 6.812 -0.745 9.669 1.00 0.00 N ATOM 912 CA SER A 59 6.532 0.344 8.749 1.00 0.00 C ATOM 913 C SER A 59 6.227 -0.212 7.357 1.00 0.00 C ATOM 914 O SER A 59 6.793 -1.227 6.953 1.00 0.00 O ATOM 915 CB SER A 59 7.704 1.326 8.684 1.00 0.00 C ATOM 916 OG SER A 59 8.950 0.688 8.951 1.00 0.00 O ATOM 0 H SER A 59 7.689 -1.236 9.494 1.00 0.00 H new ATOM 0 HA SER A 59 5.660 0.885 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.737 1.787 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.545 2.128 9.405 1.00 0.00 H new ATOM 0 HG SER A 59 9.673 1.347 8.898 1.00 0.00 H new ATOM 922 N LEU A 60 5.335 0.478 6.661 1.00 0.00 N ATOM 923 CA LEU A 60 4.949 0.065 5.323 1.00 0.00 C ATOM 924 C LEU A 60 6.157 0.176 4.391 1.00 0.00 C ATOM 925 O LEU A 60 7.069 0.962 4.643 1.00 0.00 O ATOM 926 CB LEU A 60 3.731 0.860 4.848 1.00 0.00 C ATOM 927 CG LEU A 60 2.524 0.864 5.789 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.546 1.982 5.421 1.00 0.00 C ATOM 929 CD2 LEU A 60 1.844 -0.506 5.815 1.00 0.00 C ATOM 0 H LEU A 60 4.869 1.320 6.999 1.00 0.00 H new ATOM 0 HA LEU A 60 4.640 -0.980 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.039 1.892 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.414 0.460 3.885 1.00 0.00 H new ATOM 0 HG LEU A 60 2.880 1.066 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.697 1.963 6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.050 2.946 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.193 1.835 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.990 -0.475 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.504 -0.762 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.554 -1.258 6.161 1.00 0.00 H new ATOM 941 N THR A 61 6.124 -0.622 3.334 1.00 0.00 N ATOM 942 CA THR A 61 7.205 -0.623 2.363 1.00 0.00 C ATOM 943 C THR A 61 6.903 0.356 1.227 1.00 0.00 C ATOM 944 O THR A 61 7.818 0.883 0.596 1.00 0.00 O ATOM 945 CB THR A 61 7.412 -2.062 1.887 1.00 0.00 C ATOM 946 OG1 THR A 61 6.109 -2.488 1.496 1.00 0.00 O ATOM 947 CG2 THR A 61 7.788 -3.008 3.028 1.00 0.00 C ATOM 0 H THR A 61 5.366 -1.272 3.129 1.00 0.00 H new ATOM 0 HA THR A 61 8.137 -0.276 2.809 1.00 0.00 H new ATOM 0 HB THR A 61 8.192 -2.085 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.118 -3.453 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.923 -4.016 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.716 -2.671 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.993 -3.013 3.774 1.00 0.00 H new ATOM 955 N SER A 62 5.615 0.571 1.001 1.00 0.00 N ATOM 956 CA SER A 62 5.180 1.477 -0.049 1.00 0.00 C ATOM 957 C SER A 62 3.756 1.958 0.233 1.00 0.00 C ATOM 958 O SER A 62 3.131 1.529 1.201 1.00 0.00 O ATOM 959 CB SER A 62 5.252 0.805 -1.421 1.00 0.00 C ATOM 960 OG SER A 62 6.585 0.438 -1.767 1.00 0.00 O ATOM 0 H SER A 62 4.859 0.133 1.527 1.00 0.00 H new ATOM 0 HA SER A 62 5.851 2.336 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.619 -0.083 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.854 1.482 -2.177 1.00 0.00 H new ATOM 0 HG SER A 62 7.192 0.685 -1.038 1.00 0.00 H new ATOM 966 N LEU A 63 3.283 2.844 -0.632 1.00 0.00 N ATOM 967 CA LEU A 63 1.943 3.389 -0.488 1.00 0.00 C ATOM 968 C LEU A 63 1.641 4.307 -1.674 1.00 0.00 C ATOM 969 O LEU A 63 2.188 5.405 -1.769 1.00 0.00 O ATOM 970 CB LEU A 63 1.785 4.069 0.873 1.00 0.00 C ATOM 971 CG LEU A 63 0.544 4.949 1.042 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.632 4.139 1.590 1.00 0.00 C ATOM 973 CD2 LEU A 63 0.853 6.171 1.910 1.00 0.00 C ATOM 0 H LEU A 63 3.803 3.198 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 63 1.202 2.590 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.767 3.297 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.668 4.681 1.056 1.00 0.00 H new ATOM 0 HG LEU A 63 0.250 5.318 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.501 4.788 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.869 3.329 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.365 3.721 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.045 6.780 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.186 5.843 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.639 6.762 1.440 1.00 0.00 H new ATOM 985 N LYS A 64 0.771 3.824 -2.549 1.00 0.00 N ATOM 986 CA LYS A 64 0.390 4.588 -3.725 1.00 0.00 C ATOM 987 C LYS A 64 -1.101 4.925 -3.647 1.00 0.00 C ATOM 988 O LYS A 64 -1.872 4.205 -3.015 1.00 0.00 O ATOM 989 CB LYS A 64 0.785 3.842 -5.000 1.00 0.00 C ATOM 990 CG LYS A 64 2.249 3.400 -4.945 1.00 0.00 C ATOM 991 CD LYS A 64 2.707 2.850 -6.298 1.00 0.00 C ATOM 992 CE LYS A 64 3.638 1.649 -6.114 1.00 0.00 C ATOM 993 NZ LYS A 64 3.567 0.754 -7.291 1.00 0.00 N ATOM 0 H LYS A 64 0.319 2.913 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 64 0.931 5.534 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.143 2.971 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.628 4.485 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.877 4.244 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.374 2.637 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.839 2.555 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.222 3.631 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.662 1.994 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.360 1.100 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.204 -0.056 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.592 0.411 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.855 1.277 -8.143 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.461 6.021 -4.298 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.846 6.463 -4.311 1.00 0.00 C ATOM 1009 C HIS A 65 -3.475 6.141 -5.668 1.00 0.00 C ATOM 1010 O HIS A 65 -3.938 7.038 -6.370 1.00 0.00 O ATOM 1011 CB HIS A 65 -2.946 7.946 -3.948 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.288 8.565 -4.260 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.480 7.872 -4.138 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -4.613 9.818 -4.688 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.471 8.681 -4.482 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -5.931 9.887 -4.822 1.00 0.00 N ATOM 0 H HIS A 65 -0.818 6.616 -4.820 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.411 5.923 -3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.742 8.064 -2.884 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.171 8.494 -4.484 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.579 6.903 -3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.916 10.619 -4.885 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.521 8.430 -4.492 1.00 0.00 H new ATOM 1075 N ASP A 69 2.717 8.691 -6.540 1.00 0.00 N ATOM 1076 CA ASP A 69 3.577 8.469 -5.390 1.00 0.00 C ATOM 1077 C ASP A 69 3.324 9.562 -4.350 1.00 0.00 C ATOM 1078 O ASP A 69 4.059 10.546 -4.288 1.00 0.00 O ATOM 1079 CB ASP A 69 5.054 8.527 -5.787 1.00 0.00 C ATOM 1080 CG ASP A 69 5.317 8.925 -7.241 1.00 0.00 C ATOM 1081 OD1 ASP A 69 4.972 10.076 -7.585 1.00 0.00 O ATOM 1082 OD2 ASP A 69 5.858 8.070 -7.975 1.00 0.00 O ATOM 0 HA ASP A 69 3.351 7.482 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.563 9.236 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.502 7.550 -5.607 1.00 0.00 H new ATOM 1087 N ILE A 70 2.282 9.353 -3.560 1.00 0.00 N ATOM 1088 CA ILE A 70 1.922 10.309 -2.526 1.00 0.00 C ATOM 1089 C ILE A 70 2.503 9.848 -1.188 1.00 0.00 C ATOM 1090 O ILE A 70 2.866 8.683 -1.033 1.00 0.00 O ATOM 1091 CB ILE A 70 0.408 10.524 -2.498 1.00 0.00 C ATOM 1092 CG1 ILE A 70 0.047 11.780 -1.703 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.312 9.283 -1.967 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.292 12.358 -2.168 1.00 0.00 C ATOM 0 H ILE A 70 1.675 8.535 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 70 2.355 11.286 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 70 0.066 10.682 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.006 11.540 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.831 12.528 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.387 9.462 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.092 8.431 -2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.029 9.070 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.525 13.250 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.228 12.620 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.078 11.616 -2.025 1.00 0.00 H new ATOM 1106 N SER A 71 2.572 10.786 -0.255 1.00 0.00 N ATOM 1107 CA SER A 71 3.103 10.491 1.065 1.00 0.00 C ATOM 1108 C SER A 71 1.967 10.085 2.007 1.00 0.00 C ATOM 1109 O SER A 71 1.981 8.990 2.565 1.00 0.00 O ATOM 1110 CB SER A 71 3.862 11.691 1.635 1.00 0.00 C ATOM 1111 OG SER A 71 2.979 12.688 2.143 1.00 0.00 O ATOM 0 H SER A 71 2.269 11.751 -0.387 1.00 0.00 H new ATOM 0 HA SER A 71 3.805 9.662 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.526 11.355 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.491 12.125 0.858 1.00 0.00 H new ATOM 0 HG SER A 71 3.501 13.437 2.499 1.00 0.00 H new ATOM 1117 N VAL A 72 1.011 10.991 2.153 1.00 0.00 N ATOM 1118 CA VAL A 72 -0.130 10.741 3.018 1.00 0.00 C ATOM 1119 C VAL A 72 -1.358 10.434 2.158 1.00 0.00 C ATOM 1120 O VAL A 72 -1.344 10.656 0.948 1.00 0.00 O ATOM 1121 CB VAL A 72 -0.342 11.927 3.961 1.00 0.00 C ATOM 1122 CG1 VAL A 72 0.939 12.248 4.734 1.00 0.00 C ATOM 1123 CG2 VAL A 72 -0.842 13.154 3.195 1.00 0.00 C ATOM 0 H VAL A 72 1.003 11.898 1.687 1.00 0.00 H new ATOM 0 HA VAL A 72 0.052 9.871 3.648 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.109 11.648 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.761 13.095 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.235 11.381 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.735 12.498 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.985 13.983 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.108 13.435 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.790 12.919 2.711 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.390 9.928 2.817 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.624 9.589 2.128 1.00 0.00 C ATOM 1135 C ILE A 73 -4.811 10.156 2.908 1.00 0.00 C ATOM 1136 O ILE A 73 -5.225 9.587 3.917 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.708 8.079 1.892 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.568 7.601 0.989 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -5.079 7.686 1.340 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -2.784 8.059 -0.455 1.00 0.00 C ATOM 0 H ILE A 73 -2.397 9.745 3.820 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.645 10.045 1.138 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.591 7.576 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.619 7.989 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.503 6.513 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.112 6.608 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.853 7.972 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.250 8.198 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.960 7.706 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.722 7.650 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.824 9.148 -0.489 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.327 11.271 2.411 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.459 11.922 3.049 1.00 0.00 C ATOM 1154 C LYS A 74 -7.597 10.912 3.210 1.00 0.00 C ATOM 1155 O LYS A 74 -7.483 9.768 2.773 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.858 13.181 2.276 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.700 14.180 2.221 1.00 0.00 C ATOM 1158 CD LYS A 74 -5.985 15.293 1.210 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.688 15.966 0.756 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.684 16.143 -0.713 1.00 0.00 N ATOM 0 H LYS A 74 -4.982 11.740 1.574 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.190 12.262 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.158 12.911 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.722 13.646 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.541 14.613 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.781 13.662 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.506 14.880 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.647 16.035 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.583 16.934 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.833 15.362 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.797 16.601 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.763 15.214 -1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.490 16.738 -0.993 1.00 0.00 H new ATOM 1174 N THR A 75 -8.669 11.373 3.838 1.00 0.00 N ATOM 1175 CA THR A 75 -9.827 10.524 4.063 1.00 0.00 C ATOM 1176 C THR A 75 -10.607 10.331 2.761 1.00 0.00 C ATOM 1177 O THR A 75 -10.605 11.206 1.896 1.00 0.00 O ATOM 1178 CB THR A 75 -10.661 11.149 5.183 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.789 11.142 6.310 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.829 10.259 5.610 1.00 0.00 C ATOM 0 H THR A 75 -8.760 12.323 4.198 1.00 0.00 H new ATOM 0 HA THR A 75 -9.529 9.524 4.379 1.00 0.00 H new ATOM 0 HB THR A 75 -11.043 12.116 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.902 10.828 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.388 10.750 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.487 10.088 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.446 9.304 5.970 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.254 9.179 2.662 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.036 8.859 1.479 1.00 0.00 C ATOM 1190 C GLY A 76 -11.130 8.453 0.316 1.00 0.00 C ATOM 1191 O GLY A 76 -11.613 8.111 -0.762 1.00 0.00 O ATOM 0 H GLY A 76 -11.253 8.456 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.729 8.048 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.637 9.722 1.192 1.00 0.00 H new ATOM 1195 N MET A 77 -9.831 8.504 0.573 1.00 0.00 N ATOM 1196 CA MET A 77 -8.853 8.146 -0.439 1.00 0.00 C ATOM 1197 C MET A 77 -8.535 6.650 -0.390 1.00 0.00 C ATOM 1198 O MET A 77 -8.346 6.087 0.687 1.00 0.00 O ATOM 1199 CB MET A 77 -7.569 8.948 -0.216 1.00 0.00 C ATOM 1200 CG MET A 77 -7.790 10.431 -0.518 1.00 0.00 C ATOM 1201 SD MET A 77 -6.851 10.907 -1.960 1.00 0.00 S ATOM 1202 CE MET A 77 -5.203 10.513 -1.400 1.00 0.00 C ATOM 0 H MET A 77 -9.433 8.788 1.468 1.00 0.00 H new ATOM 0 HA MET A 77 -9.271 8.378 -1.419 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.236 8.829 0.815 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.776 8.557 -0.854 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.850 10.623 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.488 11.034 0.338 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.489 11.195 -1.862 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.153 10.615 -0.316 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.959 9.488 -1.680 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.487 6.048 -1.570 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.195 4.629 -1.674 1.00 0.00 C ATOM 1214 C ASP A 78 -6.726 4.441 -2.055 1.00 0.00 C ATOM 1215 O ASP A 78 -6.270 4.973 -3.066 1.00 0.00 O ATOM 1216 CB ASP A 78 -9.052 3.969 -2.757 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.367 4.688 -3.068 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -11.095 4.985 -2.097 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -10.613 4.923 -4.271 1.00 0.00 O ATOM 0 H ASP A 78 -8.645 6.517 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.412 4.169 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.466 3.903 -3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.277 2.948 -2.449 1.00 0.00 H new ATOM 1224 N CYS A 79 -6.024 3.682 -1.225 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.616 3.418 -1.463 1.00 0.00 C ATOM 1226 C CYS A 79 -4.327 1.967 -1.072 1.00 0.00 C ATOM 1227 O CYS A 79 -5.099 1.353 -0.337 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.720 4.401 -0.707 1.00 0.00 C ATOM 1229 SG CYS A 79 -3.945 4.193 1.098 1.00 0.00 S ATOM 0 H CYS A 79 -6.405 3.242 -0.387 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.390 3.561 -2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.676 4.233 -0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.963 5.423 -0.997 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.257 3.168 1.506 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.213 1.461 -1.581 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.813 0.094 -1.295 1.00 0.00 C ATOM 1237 C GLY A 80 -1.392 0.045 -0.730 1.00 0.00 C ATOM 1238 O GLY A 80 -0.454 0.538 -1.355 1.00 0.00 O ATOM 0 H GLY A 80 -2.575 1.974 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.507 -0.350 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.867 -0.502 -2.206 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.277 -0.553 0.447 1.00 0.00 N ATOM 1243 CA LEU A 81 0.014 -0.672 1.103 1.00 0.00 C ATOM 1244 C LEU A 81 0.423 -2.145 1.150 1.00 0.00 C ATOM 1245 O LEU A 81 -0.383 -3.027 0.855 1.00 0.00 O ATOM 1246 CB LEU A 81 -0.019 0.001 2.477 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.053 -0.542 3.465 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.514 -1.770 4.202 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.514 0.550 4.433 1.00 0.00 C ATOM 0 H LEU A 81 -2.057 -0.960 0.963 1.00 0.00 H new ATOM 0 HA LEU A 81 0.780 -0.146 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.969 -0.091 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.206 1.065 2.334 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.929 -0.863 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.268 -2.137 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.276 -2.552 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.386 -1.498 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.249 0.137 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.658 0.924 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.964 1.368 3.871 1.00 0.00 H new ATOM 1261 N SER A 82 1.674 -2.367 1.524 1.00 0.00 N ATOM 1262 CA SER A 82 2.200 -3.719 1.614 1.00 0.00 C ATOM 1263 C SER A 82 3.218 -3.810 2.752 1.00 0.00 C ATOM 1264 O SER A 82 3.840 -2.812 3.115 1.00 0.00 O ATOM 1265 CB SER A 82 2.841 -4.149 0.293 1.00 0.00 C ATOM 1266 OG SER A 82 3.953 -3.328 -0.053 1.00 0.00 O ATOM 0 H SER A 82 2.339 -1.633 1.768 1.00 0.00 H new ATOM 0 HA SER A 82 1.371 -4.395 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.166 -5.187 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.097 -4.105 -0.502 1.00 0.00 H new ATOM 0 HG SER A 82 4.390 -3.008 0.764 1.00 0.00 H new ATOM 1272 N LEU A 83 3.358 -5.015 3.284 1.00 0.00 N ATOM 1273 CA LEU A 83 4.290 -5.250 4.374 1.00 0.00 C ATOM 1274 C LEU A 83 5.506 -6.012 3.844 1.00 0.00 C ATOM 1275 O LEU A 83 5.373 -6.874 2.976 1.00 0.00 O ATOM 1276 CB LEU A 83 3.587 -5.947 5.540 1.00 0.00 C ATOM 1277 CG LEU A 83 2.176 -5.453 5.864 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.518 -6.332 6.930 1.00 0.00 C ATOM 1279 CD2 LEU A 83 2.190 -3.977 6.268 1.00 0.00 C ATOM 0 H LEU A 83 2.841 -5.840 2.980 1.00 0.00 H new ATOM 0 HA LEU A 83 4.656 -4.304 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.536 -7.014 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.204 -5.833 6.431 1.00 0.00 H new ATOM 0 HG LEU A 83 1.571 -5.534 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.516 -5.959 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.454 -7.358 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.115 -6.306 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.174 -3.652 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.816 -3.847 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.589 -3.379 5.449 1.00 0.00 H new ATOM 1291 N ASP A 84 6.664 -5.669 4.389 1.00 0.00 N ATOM 1292 CA ASP A 84 7.902 -6.310 3.982 1.00 0.00 C ATOM 1293 C ASP A 84 7.751 -7.828 4.107 1.00 0.00 C ATOM 1294 O ASP A 84 8.472 -8.583 3.458 1.00 0.00 O ATOM 1295 CB ASP A 84 9.067 -5.876 4.874 1.00 0.00 C ATOM 1296 CG ASP A 84 10.261 -6.832 4.890 1.00 0.00 C ATOM 1297 OD1 ASP A 84 10.845 -7.028 3.803 1.00 0.00 O ATOM 1298 OD2 ASP A 84 10.562 -7.346 5.989 1.00 0.00 O ATOM 0 H ASP A 84 6.771 -4.955 5.109 1.00 0.00 H new ATOM 0 HA ASP A 84 8.109 -6.019 2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.411 -4.895 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.700 -5.760 5.894 1.00 0.00 H new ATOM 1303 N GLU A 85 6.807 -8.228 4.947 1.00 0.00 N ATOM 1304 CA GLU A 85 6.552 -9.642 5.165 1.00 0.00 C ATOM 1305 C GLU A 85 5.419 -10.123 4.257 1.00 0.00 C ATOM 1306 O GLU A 85 4.388 -9.462 4.140 1.00 0.00 O ATOM 1307 CB GLU A 85 6.231 -9.920 6.635 1.00 0.00 C ATOM 1308 CG GLU A 85 6.201 -11.424 6.915 1.00 0.00 C ATOM 1309 CD GLU A 85 7.613 -11.969 7.139 1.00 0.00 C ATOM 1310 OE1 GLU A 85 8.335 -12.106 6.128 1.00 0.00 O ATOM 1311 OE2 GLU A 85 7.939 -12.236 8.316 1.00 0.00 O ATOM 0 H GLU A 85 6.210 -7.599 5.484 1.00 0.00 H new ATOM 0 HA GLU A 85 7.455 -10.198 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.977 -9.443 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.267 -9.480 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.588 -11.622 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.735 -11.944 6.078 1.00 0.00 H new ATOM 1318 N GLU A 86 5.648 -11.271 3.636 1.00 0.00 N ATOM 1319 CA GLU A 86 4.659 -11.849 2.742 1.00 0.00 C ATOM 1320 C GLU A 86 3.726 -12.784 3.514 1.00 0.00 C ATOM 1321 O GLU A 86 2.547 -12.901 3.185 1.00 0.00 O ATOM 1322 CB GLU A 86 5.333 -12.583 1.581 1.00 0.00 C ATOM 1323 CG GLU A 86 6.014 -13.865 2.064 1.00 0.00 C ATOM 1324 CD GLU A 86 7.285 -14.147 1.260 1.00 0.00 C ATOM 1325 OE1 GLU A 86 7.141 -14.419 0.048 1.00 0.00 O ATOM 1326 OE2 GLU A 86 8.371 -14.084 1.875 1.00 0.00 O ATOM 0 H GLU A 86 6.504 -11.816 3.734 1.00 0.00 H new ATOM 0 HA GLU A 86 4.062 -11.040 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.591 -12.826 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.069 -11.930 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.261 -13.773 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.326 -14.705 1.969 1.00 0.00 H new ATOM 1333 N LYS A 87 4.290 -13.426 4.527 1.00 0.00 N ATOM 1334 CA LYS A 87 3.524 -14.347 5.349 1.00 0.00 C ATOM 1335 C LYS A 87 2.230 -13.666 5.799 1.00 0.00 C ATOM 1336 O LYS A 87 1.155 -14.261 5.732 1.00 0.00 O ATOM 1337 CB LYS A 87 4.378 -14.871 6.505 1.00 0.00 C ATOM 1338 CG LYS A 87 4.929 -16.264 6.192 1.00 0.00 C ATOM 1339 CD LYS A 87 4.338 -17.313 7.137 1.00 0.00 C ATOM 1340 CE LYS A 87 5.381 -17.788 8.150 1.00 0.00 C ATOM 1341 NZ LYS A 87 4.730 -18.516 9.262 1.00 0.00 N ATOM 0 H LYS A 87 5.269 -13.326 4.797 1.00 0.00 H new ATOM 0 HA LYS A 87 3.238 -15.226 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.203 -14.184 6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.780 -14.909 7.416 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.697 -16.527 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.015 -16.258 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.481 -16.892 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.973 -18.163 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.106 -18.437 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.933 -16.933 8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.452 -18.831 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.056 -17.886 9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.224 -19.343 8.886 1.00 0.00 H new ATOM 1355 N VAL A 88 2.376 -12.429 6.249 1.00 0.00 N ATOM 1356 CA VAL A 88 1.232 -11.660 6.710 1.00 0.00 C ATOM 1357 C VAL A 88 0.301 -11.381 5.529 1.00 0.00 C ATOM 1358 O VAL A 88 0.747 -10.928 4.476 1.00 0.00 O ATOM 1359 CB VAL A 88 1.706 -10.387 7.413 1.00 0.00 C ATOM 1360 CG1 VAL A 88 2.517 -9.505 6.461 1.00 0.00 C ATOM 1361 CG2 VAL A 88 0.525 -9.614 8.003 1.00 0.00 C ATOM 0 H VAL A 88 3.269 -11.940 6.304 1.00 0.00 H new ATOM 0 HA VAL A 88 0.662 -12.227 7.446 1.00 0.00 H new ATOM 0 HB VAL A 88 2.358 -10.682 8.235 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.842 -8.606 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.390 -10.056 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.898 -9.224 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.890 -8.714 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.163 -9.336 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.006 -10.241 8.728 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.976 -11.662 5.744 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.974 -11.446 4.710 1.00 0.00 C ATOM 1373 C GLU A 89 -3.137 -10.617 5.259 1.00 0.00 C ATOM 1374 O GLU A 89 -3.662 -10.912 6.332 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.470 -12.776 4.140 1.00 0.00 C ATOM 1376 CG GLU A 89 -1.483 -13.335 3.113 1.00 0.00 C ATOM 1377 CD GLU A 89 -1.552 -14.862 3.060 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -1.232 -15.480 4.098 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -1.922 -15.377 1.983 1.00 0.00 O ATOM 0 H GLU A 89 -1.342 -12.037 6.619 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.510 -10.890 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.605 -13.494 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.445 -12.635 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.705 -12.923 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.471 -13.022 3.369 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.506 -9.597 4.499 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.597 -8.723 4.897 1.00 0.00 C ATOM 1388 C PHE A 90 -5.951 -9.341 4.542 1.00 0.00 C ATOM 1389 O PHE A 90 -6.058 -10.100 3.579 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.427 -7.415 4.122 1.00 0.00 C ATOM 1391 CG PHE A 90 -2.970 -7.025 3.870 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.285 -6.313 4.805 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.358 -7.391 2.711 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -0.932 -5.951 4.571 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -1.005 -7.029 2.477 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.320 -6.317 3.412 1.00 0.00 C ATOM 0 H PHE A 90 -3.069 -9.356 3.609 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.572 -8.563 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.939 -7.503 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.917 -6.612 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.770 -6.023 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.901 -7.957 1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.389 -5.385 5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.520 -7.319 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.709 -6.042 3.235 1.00 0.00 H new ATOM 1406 N LYS A 91 -6.951 -8.993 5.338 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.294 -9.504 5.119 1.00 0.00 C ATOM 1408 C LYS A 91 -9.294 -8.349 5.200 1.00 0.00 C ATOM 1409 O LYS A 91 -9.023 -7.333 5.838 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.596 -10.648 6.089 1.00 0.00 C ATOM 1411 CG LYS A 91 -7.933 -11.948 5.628 1.00 0.00 C ATOM 1412 CD LYS A 91 -7.591 -12.842 6.821 1.00 0.00 C ATOM 1413 CE LYS A 91 -7.189 -14.244 6.358 1.00 0.00 C ATOM 1414 NZ LYS A 91 -8.182 -15.244 6.809 1.00 0.00 N ATOM 0 H LYS A 91 -6.859 -8.364 6.135 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.381 -9.932 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.240 -10.388 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.674 -10.792 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.600 -12.480 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.026 -11.719 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.777 -12.396 7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.450 -12.908 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.110 -14.266 5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.205 -14.496 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.894 -16.190 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.237 -15.235 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.114 -15.012 6.411 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.458 -8.549 4.527 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.500 -7.536 4.516 1.00 0.00 C ATOM 1430 C PRO A 92 -12.240 -7.497 5.855 1.00 0.00 C ATOM 1431 O PRO A 92 -13.463 -7.621 5.896 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.400 -7.910 3.350 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.099 -9.367 3.041 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.813 -9.740 3.760 1.00 0.00 C ATOM 0 HA PRO A 92 -11.106 -6.528 4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.450 -7.775 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.201 -7.278 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.919 -10.004 3.371 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.992 -9.515 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.959 -10.602 4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.027 -10.005 3.053 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.467 -7.325 6.917 1.00 0.00 N ATOM 1443 CA GLY A 93 -12.035 -7.268 8.254 1.00 0.00 C ATOM 1444 C GLY A 93 -10.952 -6.987 9.298 1.00 0.00 C ATOM 1445 O GLY A 93 -11.027 -7.479 10.423 1.00 0.00 O ATOM 0 H GLY A 93 -10.453 -7.223 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.797 -6.490 8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.530 -8.212 8.483 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.970 -6.198 8.887 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.873 -5.846 9.773 1.00 0.00 C ATOM 1451 C ASP A 94 -8.805 -4.324 9.914 1.00 0.00 C ATOM 1452 O ASP A 94 -9.654 -3.610 9.384 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.534 -6.330 9.211 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.415 -7.845 9.039 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.432 -8.527 9.289 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.308 -8.288 8.660 1.00 0.00 O ATOM 0 H ASP A 94 -9.911 -5.793 7.953 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.052 -6.322 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.370 -5.856 8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.736 -5.991 9.871 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.786 -3.873 10.631 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.596 -2.449 10.848 1.00 0.00 C ATOM 1463 C GLN A 95 -6.135 -2.065 10.603 1.00 0.00 C ATOM 1464 O GLN A 95 -5.242 -2.904 10.713 1.00 0.00 O ATOM 1465 CB GLN A 95 -8.040 -2.045 12.255 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.505 -1.603 12.261 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.829 -0.798 13.521 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -9.040 0.000 13.999 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -11.032 -1.050 14.030 1.00 0.00 N ATOM 0 H GLN A 95 -7.083 -4.469 11.069 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.218 -1.907 10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.907 -2.884 12.937 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.410 -1.234 12.620 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.710 -1.000 11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.153 -2.478 12.207 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.644 -1.731 13.580 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.343 -0.562 14.870 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.937 -0.797 10.275 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.600 -0.292 10.014 1.00 0.00 C ATOM 1480 C VAL A 96 -4.406 1.032 10.756 1.00 0.00 C ATOM 1481 O VAL A 96 -4.840 2.082 10.284 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.372 -0.171 8.506 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -3.173 0.731 8.203 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -4.196 -1.550 7.866 1.00 0.00 C ATOM 0 H VAL A 96 -6.680 -0.104 10.184 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.849 -0.988 10.388 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.257 0.291 8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.033 0.800 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.354 1.726 8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.277 0.310 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.036 -1.436 6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.336 -2.050 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.091 -2.148 8.037 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.753 0.940 11.905 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.496 2.118 12.716 1.00 0.00 C ATOM 1496 C ILE A 97 -2.176 2.755 12.278 1.00 0.00 C ATOM 1497 O ILE A 97 -1.131 2.106 12.301 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.544 1.764 14.204 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -4.978 1.471 14.652 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -2.892 2.859 15.050 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.640 0.443 13.733 1.00 0.00 C ATOM 0 H ILE A 97 -3.394 0.068 12.294 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.276 2.864 12.564 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.966 0.853 14.357 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.974 1.099 15.677 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.559 2.393 14.650 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.940 2.582 16.103 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.850 2.977 14.753 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.421 3.800 14.898 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.658 0.253 14.073 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.664 0.828 12.714 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.070 -0.486 13.756 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.266 4.019 11.890 1.00 0.00 N ATOM 1514 CA CYS A 98 -1.091 4.751 11.448 1.00 0.00 C ATOM 1515 C CYS A 98 -0.696 5.736 12.550 1.00 0.00 C ATOM 1516 O CYS A 98 -1.272 6.817 12.658 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.335 5.457 10.112 1.00 0.00 C ATOM 1518 SG CYS A 98 0.092 6.527 9.700 1.00 0.00 S ATOM 0 H CYS A 98 -3.134 4.554 11.873 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.270 4.056 11.273 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.487 4.719 9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.244 6.055 10.168 1.00 0.00 H new ATOM 0 HG CYS A 98 0.728 6.029 8.682 1.00 0.00 H new ATOM 1524 N TYR A 99 0.285 5.326 13.341 1.00 0.00 N ATOM 1525 CA TYR A 99 0.764 6.159 14.431 1.00 0.00 C ATOM 1526 C TYR A 99 2.293 6.222 14.442 1.00 0.00 C ATOM 1527 O TYR A 99 2.951 5.557 13.643 1.00 0.00 O ATOM 1528 CB TYR A 99 0.285 5.485 15.719 1.00 0.00 C ATOM 1529 CG TYR A 99 1.171 4.328 16.183 1.00 0.00 C ATOM 1530 CD1 TYR A 99 1.098 3.105 15.548 1.00 0.00 C ATOM 1531 CD2 TYR A 99 2.044 4.508 17.236 1.00 0.00 C ATOM 1532 CE1 TYR A 99 1.932 2.016 15.986 1.00 0.00 C ATOM 1533 CE2 TYR A 99 2.879 3.419 17.674 1.00 0.00 C ATOM 1534 CZ TYR A 99 2.782 2.227 17.027 1.00 0.00 C ATOM 1535 OH TYR A 99 3.570 1.198 17.440 1.00 0.00 O ATOM 0 H TYR A 99 0.761 4.429 13.249 1.00 0.00 H new ATOM 0 HA TYR A 99 0.390 7.178 14.328 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.236 6.232 16.511 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.729 5.114 15.568 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.416 2.965 14.723 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.101 5.466 17.732 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.884 1.053 15.499 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.566 3.546 18.497 1.00 0.00 H new ATOM 0 HH TYR A 99 4.127 1.493 18.191 1.00 0.00 H new