USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 74 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -165:sc= -0.17 (180deg=-0.353) USER MOD Set 2.1: A 16 GLN : amide:sc= -8.75! C(o=-9.1!,f=-8.8!) USER MOD Set 2.2: A 22 TYR OH : rot 180:sc= -0.367 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.85 K(o=-1.8,f=-5.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -124:sc= 0.687 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.225) USER MOD Single : A 34 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.83) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.691 (180deg=-1.23) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.0358 (180deg=-0.416) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00883) USER MOD Single : A 51 TYR OH : rot 114:sc= 0.0298 USER MOD Single : A 52 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 56 TYR OH : rot 104:sc= 0.166 USER MOD Single : A 62 CYS SG : rot -161:sc= -1.46 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.098) USER MOD Single : A 75 ASN : amide:sc= -7.29! C(o=-7.3!,f=-2.4!) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= -1.38 (180deg=-1.83) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -109:sc= -0.175 (180deg=-1.5) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 16.087 -8.202 3.188 1.00 1.00 N ATOM 80 CA PRO A 6 15.114 -9.331 3.310 1.00 1.00 C ATOM 81 C PRO A 6 15.151 -10.263 2.097 1.00 1.00 C ATOM 82 O PRO A 6 15.770 -11.327 2.125 1.00 1.00 O ATOM 83 CB PRO A 6 13.741 -8.622 3.459 1.00 1.00 C ATOM 84 CG PRO A 6 14.055 -7.244 3.925 1.00 1.00 C ATOM 85 CD PRO A 6 15.404 -6.893 3.313 1.00 1.00 C ATOM 0 HA PRO A 6 15.341 -9.984 4.153 1.00 1.00 H new ATOM 0 HB2 PRO A 6 13.204 -8.603 2.511 1.00 1.00 H new ATOM 0 HB3 PRO A 6 13.105 -9.143 4.175 1.00 1.00 H new ATOM 0 HG2 PRO A 6 13.287 -6.540 3.607 1.00 1.00 H new ATOM 0 HG3 PRO A 6 14.097 -7.200 5.013 1.00 1.00 H new ATOM 0 HD2 PRO A 6 15.289 -6.407 2.344 1.00 1.00 H new ATOM 0 HD3 PRO A 6 15.965 -6.208 3.948 1.00 1.00 H new ATOM 93 N GLU A 7 14.482 -9.885 1.012 1.00 1.00 N ATOM 94 CA GLU A 7 14.437 -10.690 -0.208 1.00 1.00 C ATOM 95 C GLU A 7 13.644 -11.973 0.025 1.00 1.00 C ATOM 96 O GLU A 7 12.766 -12.315 -0.766 1.00 1.00 O ATOM 97 CB GLU A 7 15.854 -11.020 -0.688 1.00 1.00 C ATOM 98 CG GLU A 7 16.689 -9.736 -0.770 1.00 1.00 C ATOM 99 CD GLU A 7 16.121 -8.798 -1.831 1.00 1.00 C ATOM 100 OE1 GLU A 7 15.389 -9.272 -2.684 1.00 1.00 O ATOM 101 OE2 GLU A 7 16.436 -7.619 -1.781 1.00 1.00 O ATOM 0 H GLU A 7 13.956 -9.013 0.952 1.00 1.00 H new ATOM 0 HA GLU A 7 13.936 -10.109 -0.982 1.00 1.00 H new ATOM 0 HB2 GLU A 7 16.324 -11.727 -0.004 1.00 1.00 H new ATOM 0 HB3 GLU A 7 15.814 -11.501 -1.665 1.00 1.00 H new ATOM 0 HG2 GLU A 7 16.696 -9.237 0.199 1.00 1.00 H new ATOM 0 HG3 GLU A 7 17.723 -9.982 -1.010 1.00 1.00 H new ATOM 108 N GLU A 8 13.960 -12.669 1.112 1.00 1.00 N ATOM 109 CA GLU A 8 13.271 -13.910 1.456 1.00 1.00 C ATOM 110 C GLU A 8 11.898 -13.622 2.057 1.00 1.00 C ATOM 111 O GLU A 8 10.932 -14.348 1.821 1.00 1.00 O ATOM 112 CB GLU A 8 14.109 -14.712 2.452 1.00 1.00 C ATOM 113 CG GLU A 8 15.421 -15.142 1.789 1.00 1.00 C ATOM 114 CD GLU A 8 15.148 -16.175 0.697 1.00 1.00 C ATOM 115 OE1 GLU A 8 14.088 -16.775 0.731 1.00 1.00 O ATOM 116 OE2 GLU A 8 16.004 -16.346 -0.155 1.00 1.00 O ATOM 0 H GLU A 8 14.689 -12.396 1.771 1.00 1.00 H new ATOM 0 HA GLU A 8 13.135 -14.489 0.543 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.317 -14.109 3.336 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.554 -15.589 2.787 1.00 1.00 H new ATOM 0 HG2 GLU A 8 15.922 -14.274 1.361 1.00 1.00 H new ATOM 0 HG3 GLU A 8 16.094 -15.562 2.537 1.00 1.00 H new ATOM 123 N TYR A 9 11.810 -12.554 2.843 1.00 1.00 N ATOM 124 CA TYR A 9 10.565 -12.162 3.487 1.00 1.00 C ATOM 125 C TYR A 9 9.456 -12.029 2.453 1.00 1.00 C ATOM 126 O TYR A 9 8.277 -11.963 2.798 1.00 1.00 O ATOM 127 CB TYR A 9 10.750 -10.829 4.227 1.00 1.00 C ATOM 128 CG TYR A 9 11.604 -11.036 5.479 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.955 -11.409 5.368 1.00 1.00 C ATOM 130 CD2 TYR A 9 11.045 -10.860 6.751 1.00 1.00 C ATOM 131 CE1 TYR A 9 13.730 -11.601 6.515 1.00 1.00 C ATOM 132 CE2 TYR A 9 11.823 -11.055 7.897 1.00 1.00 C ATOM 133 CZ TYR A 9 13.163 -11.426 7.778 1.00 1.00 C ATOM 134 OH TYR A 9 13.929 -11.614 8.910 1.00 1.00 O ATOM 0 H TYR A 9 12.597 -11.939 3.050 1.00 1.00 H new ATOM 0 HA TYR A 9 10.287 -12.933 4.206 1.00 1.00 H new ATOM 0 HB2 TYR A 9 11.226 -10.102 3.569 1.00 1.00 H new ATOM 0 HB3 TYR A 9 9.778 -10.420 4.504 1.00 1.00 H new ATOM 0 HD1 TYR A 9 13.396 -11.548 4.392 1.00 1.00 H new ATOM 0 HD2 TYR A 9 10.008 -10.572 6.848 1.00 1.00 H new ATOM 0 HE1 TYR A 9 14.768 -11.885 6.424 1.00 1.00 H new ATOM 0 HE2 TYR A 9 11.386 -10.918 8.875 1.00 1.00 H new ATOM 0 HH TYR A 9 13.381 -11.451 9.706 1.00 1.00 H new ATOM 144 N TYR A 10 9.811 -11.994 1.171 1.00 1.00 N ATOM 145 CA TYR A 10 8.835 -11.868 0.104 1.00 1.00 C ATOM 146 C TYR A 10 7.829 -13.022 0.167 1.00 1.00 C ATOM 147 O TYR A 10 6.809 -13.021 -0.521 1.00 1.00 O ATOM 148 CB TYR A 10 9.567 -11.867 -1.264 1.00 1.00 C ATOM 149 CG TYR A 10 9.609 -13.276 -1.847 1.00 1.00 C ATOM 150 CD1 TYR A 10 10.459 -14.236 -1.294 1.00 1.00 C ATOM 151 CD2 TYR A 10 8.769 -13.619 -2.913 1.00 1.00 C ATOM 152 CE1 TYR A 10 10.482 -15.537 -1.810 1.00 1.00 C ATOM 153 CE2 TYR A 10 8.789 -14.918 -3.429 1.00 1.00 C ATOM 154 CZ TYR A 10 9.645 -15.877 -2.879 1.00 1.00 C ATOM 155 OH TYR A 10 9.666 -17.158 -3.390 1.00 1.00 O ATOM 0 H TYR A 10 10.777 -12.052 0.849 1.00 1.00 H new ATOM 0 HA TYR A 10 8.291 -10.931 0.222 1.00 1.00 H new ATOM 0 HB2 TYR A 10 9.058 -11.196 -1.955 1.00 1.00 H new ATOM 0 HB3 TYR A 10 10.581 -11.488 -1.140 1.00 1.00 H new ATOM 0 HD1 TYR A 10 11.101 -13.974 -0.466 1.00 1.00 H new ATOM 0 HD2 TYR A 10 8.105 -12.880 -3.337 1.00 1.00 H new ATOM 0 HE1 TYR A 10 11.144 -16.277 -1.384 1.00 1.00 H new ATOM 0 HE2 TYR A 10 8.143 -15.181 -4.253 1.00 1.00 H new ATOM 0 HH TYR A 10 9.024 -17.227 -4.128 1.00 1.00 H new ATOM 165 N LEU A 11 8.106 -14.023 0.995 1.00 1.00 N ATOM 166 CA LEU A 11 7.227 -15.182 1.119 1.00 1.00 C ATOM 167 C LEU A 11 5.779 -14.747 1.258 1.00 1.00 C ATOM 168 O LEU A 11 4.863 -15.485 0.895 1.00 1.00 O ATOM 169 CB LEU A 11 7.648 -16.016 2.340 1.00 1.00 C ATOM 170 CG LEU A 11 7.567 -15.169 3.653 1.00 1.00 C ATOM 171 CD1 LEU A 11 6.231 -15.398 4.382 1.00 1.00 C ATOM 172 CD2 LEU A 11 8.712 -15.561 4.602 1.00 1.00 C ATOM 0 H LEU A 11 8.933 -14.056 1.591 1.00 1.00 H new ATOM 0 HA LEU A 11 7.315 -15.788 0.217 1.00 1.00 H new ATOM 0 HB2 LEU A 11 7.003 -16.891 2.427 1.00 1.00 H new ATOM 0 HB3 LEU A 11 8.665 -16.382 2.201 1.00 1.00 H new ATOM 0 HG LEU A 11 7.647 -14.118 3.373 1.00 1.00 H new ATOM 0 HD11 LEU A 11 6.204 -14.796 5.290 1.00 1.00 H new ATOM 0 HD12 LEU A 11 5.407 -15.108 3.730 1.00 1.00 H new ATOM 0 HD13 LEU A 11 6.135 -16.452 4.642 1.00 1.00 H new ATOM 0 HD21 LEU A 11 8.649 -14.967 5.514 1.00 1.00 H new ATOM 0 HD22 LEU A 11 8.631 -16.619 4.852 1.00 1.00 H new ATOM 0 HD23 LEU A 11 9.669 -15.375 4.114 1.00 1.00 H new ATOM 184 N GLU A 12 5.614 -13.538 1.788 1.00 1.00 N ATOM 185 CA GLU A 12 4.272 -13.013 1.989 1.00 1.00 C ATOM 186 C GLU A 12 3.461 -13.090 0.700 1.00 1.00 C ATOM 187 O GLU A 12 2.352 -13.626 0.712 1.00 1.00 O ATOM 188 CB GLU A 12 4.381 -11.555 2.448 1.00 1.00 C ATOM 189 CG GLU A 12 3.013 -11.023 2.914 1.00 1.00 C ATOM 190 CD GLU A 12 2.117 -10.681 1.723 1.00 1.00 C ATOM 191 OE1 GLU A 12 2.644 -10.484 0.639 1.00 1.00 O ATOM 192 OE2 GLU A 12 0.914 -10.616 1.915 1.00 1.00 O ATOM 0 H GLU A 12 6.372 -12.920 2.078 1.00 1.00 H new ATOM 0 HA GLU A 12 3.762 -13.610 2.745 1.00 1.00 H new ATOM 0 HB2 GLU A 12 5.102 -11.478 3.262 1.00 1.00 H new ATOM 0 HB3 GLU A 12 4.756 -10.939 1.631 1.00 1.00 H new ATOM 0 HG2 GLU A 12 2.523 -11.770 3.538 1.00 1.00 H new ATOM 0 HG3 GLU A 12 3.156 -10.136 3.531 1.00 1.00 H new ATOM 199 N GLY A 13 4.038 -12.566 -0.376 1.00 1.00 N ATOM 200 CA GLY A 13 3.374 -12.593 -1.690 1.00 1.00 C ATOM 201 C GLY A 13 2.554 -13.872 -1.869 1.00 1.00 C ATOM 202 O GLY A 13 1.509 -13.878 -2.521 1.00 1.00 O ATOM 0 H GLY A 13 4.955 -12.120 -0.373 1.00 1.00 H new ATOM 0 HA2 GLY A 13 2.724 -11.724 -1.790 1.00 1.00 H new ATOM 0 HA3 GLY A 13 4.122 -12.524 -2.480 1.00 1.00 H new ATOM 206 N VAL A 14 3.030 -14.961 -1.274 1.00 1.00 N ATOM 207 CA VAL A 14 2.332 -16.243 -1.350 1.00 1.00 C ATOM 208 C VAL A 14 1.200 -16.296 -0.340 1.00 1.00 C ATOM 209 O VAL A 14 0.063 -16.611 -0.689 1.00 1.00 O ATOM 210 CB VAL A 14 3.301 -17.390 -1.069 1.00 1.00 C ATOM 211 CG1 VAL A 14 2.591 -18.733 -1.264 1.00 1.00 C ATOM 212 CG2 VAL A 14 4.489 -17.292 -2.027 1.00 1.00 C ATOM 0 H VAL A 14 3.895 -14.983 -0.734 1.00 1.00 H new ATOM 0 HA VAL A 14 1.924 -16.345 -2.355 1.00 1.00 H new ATOM 0 HB VAL A 14 3.653 -17.322 -0.040 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.288 -19.546 -1.062 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.746 -18.801 -0.579 1.00 1.00 H new ATOM 0 HG13 VAL A 14 2.232 -18.809 -2.291 1.00 1.00 H new ATOM 0 HG21 VAL A 14 5.183 -18.109 -1.830 1.00 1.00 H new ATOM 0 HG22 VAL A 14 4.134 -17.358 -3.055 1.00 1.00 H new ATOM 0 HG23 VAL A 14 4.998 -16.339 -1.879 1.00 1.00 H new ATOM 222 N LEU A 15 1.500 -15.995 0.920 1.00 1.00 N ATOM 223 CA LEU A 15 0.494 -16.023 1.978 1.00 1.00 C ATOM 224 C LEU A 15 -0.783 -15.361 1.507 1.00 1.00 C ATOM 225 O LEU A 15 -1.796 -16.037 1.334 1.00 1.00 O ATOM 226 CB LEU A 15 0.998 -15.287 3.234 1.00 1.00 C ATOM 227 CG LEU A 15 2.295 -15.935 3.758 1.00 1.00 C ATOM 228 CD1 LEU A 15 2.740 -15.193 5.025 1.00 1.00 C ATOM 229 CD2 LEU A 15 2.056 -17.427 4.087 1.00 1.00 C ATOM 0 H LEU A 15 2.433 -15.728 1.234 1.00 1.00 H new ATOM 0 HA LEU A 15 0.301 -17.067 2.224 1.00 1.00 H new ATOM 0 HB2 LEU A 15 1.178 -14.238 3.000 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.233 -15.314 4.010 1.00 1.00 H new ATOM 0 HG LEU A 15 3.068 -15.868 2.993 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.657 -15.642 5.406 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.920 -14.144 4.788 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.959 -15.265 5.782 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.981 -17.871 4.456 1.00 1.00 H new ATOM 0 HD22 LEU A 15 1.283 -17.512 4.851 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.736 -17.951 3.187 1.00 1.00 H new ATOM 241 N GLN A 16 -0.749 -14.051 1.289 1.00 1.00 N ATOM 242 CA GLN A 16 -1.940 -13.344 0.841 1.00 1.00 C ATOM 243 C GLN A 16 -2.604 -14.101 -0.316 1.00 1.00 C ATOM 244 O GLN A 16 -3.794 -14.411 -0.266 1.00 1.00 O ATOM 245 CB GLN A 16 -1.551 -11.924 0.374 1.00 1.00 C ATOM 246 CG GLN A 16 -2.693 -11.274 -0.439 1.00 1.00 C ATOM 247 CD GLN A 16 -4.029 -11.485 0.269 1.00 1.00 C ATOM 248 OE1 GLN A 16 -4.121 -11.311 1.486 1.00 1.00 O ATOM 249 NE2 GLN A 16 -5.070 -11.868 -0.418 1.00 1.00 N ATOM 0 H GLN A 16 0.077 -13.466 1.413 1.00 1.00 H new ATOM 0 HA GLN A 16 -2.645 -13.278 1.670 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.318 -11.304 1.240 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.649 -11.973 -0.235 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -2.502 -10.208 -0.561 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -2.730 -11.707 -1.439 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -4.992 -12.011 -1.425 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -5.962 -12.024 0.052 1.00 1.00 H new ATOM 258 N TYR A 17 -1.845 -14.413 -1.363 1.00 1.00 N ATOM 259 CA TYR A 17 -2.397 -15.125 -2.506 1.00 1.00 C ATOM 260 C TYR A 17 -3.112 -16.399 -2.056 1.00 1.00 C ATOM 261 O TYR A 17 -4.317 -16.546 -2.259 1.00 1.00 O ATOM 262 CB TYR A 17 -1.263 -15.486 -3.465 1.00 1.00 C ATOM 263 CG TYR A 17 -1.833 -16.082 -4.732 1.00 1.00 C ATOM 264 CD1 TYR A 17 -2.217 -15.245 -5.789 1.00 1.00 C ATOM 265 CD2 TYR A 17 -1.978 -17.468 -4.850 1.00 1.00 C ATOM 266 CE1 TYR A 17 -2.742 -15.799 -6.965 1.00 1.00 C ATOM 267 CE2 TYR A 17 -2.504 -18.021 -6.022 1.00 1.00 C ATOM 268 CZ TYR A 17 -2.886 -17.187 -7.079 1.00 1.00 C ATOM 269 OH TYR A 17 -3.403 -17.734 -8.235 1.00 1.00 O ATOM 0 H TYR A 17 -0.854 -14.185 -1.441 1.00 1.00 H new ATOM 0 HA TYR A 17 -3.121 -14.482 -3.007 1.00 1.00 H new ATOM 0 HB2 TYR A 17 -0.678 -14.597 -3.702 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -0.586 -16.196 -2.991 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -2.108 -14.174 -5.697 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -1.683 -18.112 -4.035 1.00 1.00 H new ATOM 0 HE1 TYR A 17 -3.035 -15.156 -7.782 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -2.615 -19.092 -6.111 1.00 1.00 H new ATOM 0 HH TYR A 17 -3.434 -18.710 -8.150 1.00 1.00 H new ATOM 279 N ASP A 18 -2.359 -17.310 -1.448 1.00 1.00 N ATOM 280 CA ASP A 18 -2.936 -18.565 -0.966 1.00 1.00 C ATOM 281 C ASP A 18 -3.721 -18.336 0.325 1.00 1.00 C ATOM 282 O ASP A 18 -4.951 -18.325 0.323 1.00 1.00 O ATOM 283 CB ASP A 18 -1.827 -19.592 -0.719 1.00 1.00 C ATOM 284 CG ASP A 18 -1.179 -19.996 -2.040 1.00 1.00 C ATOM 285 OD1 ASP A 18 -1.910 -20.256 -2.981 1.00 1.00 O ATOM 286 OD2 ASP A 18 0.039 -20.041 -2.090 1.00 1.00 O ATOM 0 H ASP A 18 -1.359 -17.207 -1.277 1.00 1.00 H new ATOM 0 HA ASP A 18 -3.617 -18.945 -1.728 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -1.075 -19.173 -0.050 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -2.239 -20.471 -0.224 1.00 1.00 H new ATOM 291 N ALA A 19 -2.995 -18.154 1.423 1.00 1.00 N ATOM 292 CA ALA A 19 -3.616 -17.925 2.726 1.00 1.00 C ATOM 293 C ALA A 19 -4.257 -16.539 2.781 1.00 1.00 C ATOM 294 O ALA A 19 -3.568 -15.519 2.749 1.00 1.00 O ATOM 295 CB ALA A 19 -2.565 -18.056 3.836 1.00 1.00 C ATOM 0 H ALA A 19 -1.975 -18.160 1.438 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.394 -18.674 2.875 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -3.035 -17.884 4.804 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.135 -19.058 3.814 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -1.777 -17.320 3.679 1.00 1.00 H new ATOM 301 N GLY A 20 -5.582 -16.490 2.861 1.00 1.00 N ATOM 302 CA GLY A 20 -6.315 -15.229 2.910 1.00 1.00 C ATOM 303 C GLY A 20 -6.298 -14.641 4.311 1.00 1.00 C ATOM 304 O GLY A 20 -7.340 -14.425 4.929 1.00 1.00 O ATOM 0 H GLY A 20 -6.176 -17.318 2.894 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.873 -14.520 2.209 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.345 -15.391 2.593 1.00 1.00 H new ATOM 308 N ASN A 21 -5.098 -14.372 4.817 1.00 1.00 N ATOM 309 CA ASN A 21 -4.932 -13.799 6.158 1.00 1.00 C ATOM 310 C ASN A 21 -4.196 -12.477 6.080 1.00 1.00 C ATOM 311 O ASN A 21 -3.137 -12.309 6.683 1.00 1.00 O ATOM 312 CB ASN A 21 -4.157 -14.770 7.051 1.00 1.00 C ATOM 313 CG ASN A 21 -2.957 -15.334 6.301 1.00 1.00 C ATOM 314 OD1 ASN A 21 -2.446 -14.704 5.374 1.00 1.00 O ATOM 315 ND2 ASN A 21 -2.472 -16.490 6.655 1.00 1.00 N ATOM 0 H ASN A 21 -4.222 -14.540 4.321 1.00 1.00 H new ATOM 0 HA ASN A 21 -5.920 -13.628 6.586 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -3.823 -14.257 7.953 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -4.810 -15.582 7.369 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -1.666 -16.877 6.164 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -2.898 -17.008 7.423 1.00 1.00 H new ATOM 322 N TYR A 22 -4.777 -11.539 5.338 1.00 1.00 N ATOM 323 CA TYR A 22 -4.161 -10.218 5.193 1.00 1.00 C ATOM 324 C TYR A 22 -3.550 -9.767 6.522 1.00 1.00 C ATOM 325 O TYR A 22 -2.470 -9.178 6.539 1.00 1.00 O ATOM 326 CB TYR A 22 -5.225 -9.192 4.775 1.00 1.00 C ATOM 327 CG TYR A 22 -5.793 -9.561 3.424 1.00 1.00 C ATOM 328 CD1 TYR A 22 -6.832 -10.495 3.336 1.00 1.00 C ATOM 329 CD2 TYR A 22 -5.281 -8.969 2.261 1.00 1.00 C ATOM 330 CE1 TYR A 22 -7.358 -10.839 2.084 1.00 1.00 C ATOM 331 CE2 TYR A 22 -5.808 -9.313 1.011 1.00 1.00 C ATOM 332 CZ TYR A 22 -6.845 -10.249 0.923 1.00 1.00 C ATOM 333 OH TYR A 22 -7.362 -10.590 -0.310 1.00 1.00 O ATOM 0 H TYR A 22 -5.656 -11.661 4.836 1.00 1.00 H new ATOM 0 HA TYR A 22 -3.381 -10.284 4.434 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -6.022 -9.159 5.518 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.786 -8.195 4.734 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -7.228 -10.950 4.232 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -4.480 -8.248 2.330 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -8.159 -11.560 2.015 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -5.415 -8.856 0.115 1.00 1.00 H new ATOM 0 HH TYR A 22 -6.894 -10.089 -1.011 1.00 1.00 H new ATOM 343 N THR A 23 -4.243 -10.066 7.617 1.00 1.00 N ATOM 344 CA THR A 23 -3.742 -9.695 8.940 1.00 1.00 C ATOM 345 C THR A 23 -2.332 -10.253 9.146 1.00 1.00 C ATOM 346 O THR A 23 -1.425 -9.522 9.545 1.00 1.00 O ATOM 347 CB THR A 23 -4.673 -10.253 10.029 1.00 1.00 C ATOM 348 OG1 THR A 23 -6.016 -9.906 9.725 1.00 1.00 O ATOM 349 CG2 THR A 23 -4.294 -9.666 11.395 1.00 1.00 C ATOM 0 H THR A 23 -5.138 -10.556 7.618 1.00 1.00 H new ATOM 0 HA THR A 23 -3.712 -8.608 9.008 1.00 1.00 H new ATOM 0 HB THR A 23 -4.571 -11.338 10.064 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.611 -10.263 10.417 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.959 -10.067 12.160 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.264 -9.933 11.633 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.389 -8.581 11.364 1.00 1.00 H new ATOM 357 N GLU A 24 -2.138 -11.539 8.875 1.00 1.00 N ATOM 358 CA GLU A 24 -0.817 -12.143 9.045 1.00 1.00 C ATOM 359 C GLU A 24 0.234 -11.399 8.221 1.00 1.00 C ATOM 360 O GLU A 24 1.325 -11.116 8.716 1.00 1.00 O ATOM 361 CB GLU A 24 -0.859 -13.622 8.610 1.00 1.00 C ATOM 362 CG GLU A 24 -1.333 -14.505 9.770 1.00 1.00 C ATOM 363 CD GLU A 24 -2.672 -14.010 10.314 1.00 1.00 C ATOM 364 OE1 GLU A 24 -2.712 -12.899 10.813 1.00 1.00 O ATOM 365 OE2 GLU A 24 -3.633 -14.754 10.231 1.00 1.00 O ATOM 0 H GLU A 24 -2.862 -12.175 8.543 1.00 1.00 H new ATOM 0 HA GLU A 24 -0.544 -12.076 10.098 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.529 -13.739 7.758 1.00 1.00 H new ATOM 0 HB3 GLU A 24 0.131 -13.940 8.283 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -1.431 -15.536 9.432 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -0.588 -14.500 10.565 1.00 1.00 H new ATOM 372 N SER A 25 -0.098 -11.093 6.970 1.00 1.00 N ATOM 373 CA SER A 25 0.841 -10.402 6.098 1.00 1.00 C ATOM 374 C SER A 25 1.406 -9.162 6.792 1.00 1.00 C ATOM 375 O SER A 25 2.579 -8.823 6.632 1.00 1.00 O ATOM 376 CB SER A 25 0.134 -9.988 4.808 1.00 1.00 C ATOM 377 OG SER A 25 -0.546 -11.110 4.257 1.00 1.00 O ATOM 0 H SER A 25 -0.999 -11.310 6.543 1.00 1.00 H new ATOM 0 HA SER A 25 1.663 -11.079 5.866 1.00 1.00 H new ATOM 0 HB2 SER A 25 -0.574 -9.184 5.011 1.00 1.00 H new ATOM 0 HB3 SER A 25 0.859 -9.601 4.092 1.00 1.00 H new ATOM 0 HG SER A 25 -0.238 -11.261 3.339 1.00 1.00 H new ATOM 383 N ILE A 26 0.574 -8.476 7.569 1.00 1.00 N ATOM 384 CA ILE A 26 1.014 -7.281 8.290 1.00 1.00 C ATOM 385 C ILE A 26 2.121 -7.638 9.275 1.00 1.00 C ATOM 386 O ILE A 26 3.121 -6.927 9.385 1.00 1.00 O ATOM 387 CB ILE A 26 -0.174 -6.620 9.045 1.00 1.00 C ATOM 388 CG1 ILE A 26 -0.985 -5.711 8.093 1.00 1.00 C ATOM 389 CG2 ILE A 26 0.327 -5.793 10.253 1.00 1.00 C ATOM 390 CD1 ILE A 26 -1.791 -6.551 7.103 1.00 1.00 C ATOM 0 H ILE A 26 -0.404 -8.723 7.717 1.00 1.00 H new ATOM 0 HA ILE A 26 1.400 -6.568 7.562 1.00 1.00 H new ATOM 0 HB ILE A 26 -0.819 -7.418 9.412 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -1.657 -5.077 8.672 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -0.310 -5.049 7.551 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -0.524 -5.342 10.763 1.00 1.00 H new ATOM 0 HG22 ILE A 26 0.860 -6.445 10.944 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.998 -5.008 9.904 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -2.355 -5.893 6.442 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -1.113 -7.166 6.511 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.481 -7.194 7.649 1.00 1.00 H new ATOM 402 N ASP A 27 1.938 -8.737 9.999 1.00 1.00 N ATOM 403 CA ASP A 27 2.925 -9.130 10.981 1.00 1.00 C ATOM 404 C ASP A 27 4.278 -9.316 10.318 1.00 1.00 C ATOM 405 O ASP A 27 5.294 -8.841 10.825 1.00 1.00 O ATOM 406 CB ASP A 27 2.490 -10.437 11.652 1.00 1.00 C ATOM 407 CG ASP A 27 1.280 -10.197 12.551 1.00 1.00 C ATOM 408 OD1 ASP A 27 0.922 -9.045 12.740 1.00 1.00 O ATOM 409 OD2 ASP A 27 0.727 -11.170 13.036 1.00 1.00 O ATOM 0 H ASP A 27 1.131 -9.356 9.923 1.00 1.00 H new ATOM 0 HA ASP A 27 3.008 -8.347 11.735 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.245 -11.179 10.892 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.313 -10.843 12.240 1.00 1.00 H new ATOM 414 N LEU A 28 4.267 -10.015 9.187 1.00 1.00 N ATOM 415 CA LEU A 28 5.508 -10.257 8.476 1.00 1.00 C ATOM 416 C LEU A 28 6.047 -8.962 7.860 1.00 1.00 C ATOM 417 O LEU A 28 7.245 -8.683 7.925 1.00 1.00 O ATOM 418 CB LEU A 28 5.283 -11.339 7.402 1.00 1.00 C ATOM 419 CG LEU A 28 6.589 -11.694 6.647 1.00 1.00 C ATOM 420 CD1 LEU A 28 7.008 -10.575 5.654 1.00 1.00 C ATOM 421 CD2 LEU A 28 7.732 -11.973 7.643 1.00 1.00 C ATOM 0 H LEU A 28 3.433 -10.413 8.755 1.00 1.00 H new ATOM 0 HA LEU A 28 6.259 -10.615 9.180 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.881 -12.237 7.872 1.00 1.00 H new ATOM 0 HB3 LEU A 28 4.536 -10.991 6.689 1.00 1.00 H new ATOM 0 HG LEU A 28 6.391 -12.596 6.067 1.00 1.00 H new ATOM 0 HD11 LEU A 28 7.928 -10.865 5.146 1.00 1.00 H new ATOM 0 HD12 LEU A 28 6.218 -10.428 4.917 1.00 1.00 H new ATOM 0 HD13 LEU A 28 7.172 -9.646 6.201 1.00 1.00 H new ATOM 0 HD21 LEU A 28 8.641 -12.220 7.094 1.00 1.00 H new ATOM 0 HD22 LEU A 28 7.907 -11.087 8.254 1.00 1.00 H new ATOM 0 HD23 LEU A 28 7.458 -12.809 8.287 1.00 1.00 H new ATOM 433 N PHE A 29 5.149 -8.184 7.264 1.00 1.00 N ATOM 434 CA PHE A 29 5.574 -6.934 6.636 1.00 1.00 C ATOM 435 C PHE A 29 6.328 -6.062 7.641 1.00 1.00 C ATOM 436 O PHE A 29 7.382 -5.513 7.320 1.00 1.00 O ATOM 437 CB PHE A 29 4.335 -6.172 6.098 1.00 1.00 C ATOM 438 CG PHE A 29 4.193 -6.335 4.593 1.00 1.00 C ATOM 439 CD1 PHE A 29 4.375 -7.586 3.993 1.00 1.00 C ATOM 440 CD2 PHE A 29 3.889 -5.224 3.803 1.00 1.00 C ATOM 441 CE1 PHE A 29 4.255 -7.720 2.606 1.00 1.00 C ATOM 442 CE2 PHE A 29 3.764 -5.361 2.423 1.00 1.00 C ATOM 443 CZ PHE A 29 3.948 -6.611 1.823 1.00 1.00 C ATOM 0 H PHE A 29 4.151 -8.386 7.202 1.00 1.00 H new ATOM 0 HA PHE A 29 6.243 -7.165 5.807 1.00 1.00 H new ATOM 0 HB2 PHE A 29 3.436 -6.541 6.592 1.00 1.00 H new ATOM 0 HB3 PHE A 29 4.422 -5.114 6.344 1.00 1.00 H new ATOM 0 HD1 PHE A 29 4.608 -8.448 4.601 1.00 1.00 H new ATOM 0 HD2 PHE A 29 3.751 -4.257 4.263 1.00 1.00 H new ATOM 0 HE1 PHE A 29 4.401 -8.684 2.142 1.00 1.00 H new ATOM 0 HE2 PHE A 29 3.525 -4.501 1.815 1.00 1.00 H new ATOM 0 HZ PHE A 29 3.852 -6.716 0.752 1.00 1.00 H new ATOM 453 N GLU A 30 5.787 -5.946 8.849 1.00 1.00 N ATOM 454 CA GLU A 30 6.426 -5.135 9.874 1.00 1.00 C ATOM 455 C GLU A 30 7.878 -5.567 10.070 1.00 1.00 C ATOM 456 O GLU A 30 8.746 -4.734 10.328 1.00 1.00 O ATOM 457 CB GLU A 30 5.657 -5.273 11.192 1.00 1.00 C ATOM 458 CG GLU A 30 6.255 -4.340 12.251 1.00 1.00 C ATOM 459 CD GLU A 30 5.447 -4.435 13.540 1.00 1.00 C ATOM 460 OE1 GLU A 30 5.166 -5.544 13.961 1.00 1.00 O ATOM 461 OE2 GLU A 30 5.121 -3.395 14.090 1.00 1.00 O ATOM 0 H GLU A 30 4.919 -6.397 9.138 1.00 1.00 H new ATOM 0 HA GLU A 30 6.415 -4.093 9.556 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.606 -5.032 11.036 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.699 -6.305 11.540 1.00 1.00 H new ATOM 0 HG2 GLU A 30 7.294 -4.610 12.442 1.00 1.00 H new ATOM 0 HG3 GLU A 30 6.254 -3.313 11.886 1.00 1.00 H new ATOM 468 N LYS A 31 8.127 -6.866 9.943 1.00 1.00 N ATOM 469 CA LYS A 31 9.481 -7.384 10.113 1.00 1.00 C ATOM 470 C LYS A 31 10.386 -6.915 8.975 1.00 1.00 C ATOM 471 O LYS A 31 11.502 -6.452 9.209 1.00 1.00 O ATOM 472 CB LYS A 31 9.463 -8.917 10.162 1.00 1.00 C ATOM 473 CG LYS A 31 8.620 -9.392 11.353 1.00 1.00 C ATOM 474 CD LYS A 31 8.579 -10.930 11.392 1.00 1.00 C ATOM 475 CE LYS A 31 7.586 -11.404 12.463 1.00 1.00 C ATOM 476 NZ LYS A 31 7.999 -10.901 13.805 1.00 1.00 N ATOM 0 H LYS A 31 7.422 -7.570 9.726 1.00 1.00 H new ATOM 0 HA LYS A 31 9.875 -7.001 11.054 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.053 -9.314 9.234 1.00 1.00 H new ATOM 0 HB3 LYS A 31 10.480 -9.299 10.250 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.041 -9.008 12.282 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.608 -8.995 11.273 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.287 -11.319 10.416 1.00 1.00 H new ATOM 0 HD3 LYS A 31 9.573 -11.323 11.607 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.584 -11.046 12.225 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.542 -12.493 12.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.449 -11.386 14.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.012 -11.088 13.949 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.825 -9.877 13.861 1.00 1.00 H new ATOM 490 N ALA A 32 9.893 -7.044 7.746 1.00 1.00 N ATOM 491 CA ALA A 32 10.678 -6.635 6.582 1.00 1.00 C ATOM 492 C ALA A 32 11.093 -5.169 6.693 1.00 1.00 C ATOM 493 O ALA A 32 12.271 -4.838 6.562 1.00 1.00 O ATOM 494 CB ALA A 32 9.855 -6.843 5.310 1.00 1.00 C ATOM 0 H ALA A 32 8.970 -7.421 7.531 1.00 1.00 H new ATOM 0 HA ALA A 32 11.580 -7.246 6.541 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.441 -6.538 4.443 1.00 1.00 H new ATOM 0 HB2 ALA A 32 9.590 -7.896 5.216 1.00 1.00 H new ATOM 0 HB3 ALA A 32 8.946 -6.244 5.363 1.00 1.00 H new ATOM 500 N ILE A 33 10.109 -4.309 6.937 1.00 1.00 N ATOM 501 CA ILE A 33 10.384 -2.882 7.072 1.00 1.00 C ATOM 502 C ILE A 33 11.371 -2.641 8.216 1.00 1.00 C ATOM 503 O ILE A 33 12.293 -1.834 8.097 1.00 1.00 O ATOM 504 CB ILE A 33 9.067 -2.125 7.341 1.00 1.00 C ATOM 505 CG1 ILE A 33 8.202 -2.145 6.069 1.00 1.00 C ATOM 506 CG2 ILE A 33 9.353 -0.670 7.756 1.00 1.00 C ATOM 507 CD1 ILE A 33 6.786 -1.663 6.398 1.00 1.00 C ATOM 0 H ILE A 33 9.129 -4.569 7.044 1.00 1.00 H new ATOM 0 HA ILE A 33 10.827 -2.514 6.146 1.00 1.00 H new ATOM 0 HB ILE A 33 8.536 -2.616 8.156 1.00 1.00 H new ATOM 0 HG12 ILE A 33 8.646 -1.505 5.306 1.00 1.00 H new ATOM 0 HG13 ILE A 33 8.166 -3.154 5.658 1.00 1.00 H new ATOM 0 HG21 ILE A 33 8.412 -0.153 7.941 1.00 1.00 H new ATOM 0 HG22 ILE A 33 9.956 -0.662 8.664 1.00 1.00 H new ATOM 0 HG23 ILE A 33 9.894 -0.163 6.957 1.00 1.00 H new ATOM 0 HD11 ILE A 33 6.177 -1.679 5.494 1.00 1.00 H new ATOM 0 HD12 ILE A 33 6.342 -2.320 7.146 1.00 1.00 H new ATOM 0 HD13 ILE A 33 6.829 -0.646 6.788 1.00 1.00 H new ATOM 519 N GLN A 34 11.182 -3.338 9.331 1.00 1.00 N ATOM 520 CA GLN A 34 12.059 -3.172 10.486 1.00 1.00 C ATOM 521 C GLN A 34 13.519 -3.322 10.072 1.00 1.00 C ATOM 522 O GLN A 34 14.394 -2.638 10.602 1.00 1.00 O ATOM 523 CB GLN A 34 11.707 -4.213 11.554 1.00 1.00 C ATOM 524 CG GLN A 34 12.449 -3.907 12.861 1.00 1.00 C ATOM 525 CD GLN A 34 11.912 -2.615 13.469 1.00 1.00 C ATOM 526 OE1 GLN A 34 10.701 -2.399 13.493 1.00 1.00 O ATOM 527 NE2 GLN A 34 12.743 -1.734 13.951 1.00 1.00 N ATOM 0 H GLN A 34 10.434 -4.020 9.460 1.00 1.00 H new ATOM 0 HA GLN A 34 11.917 -2.172 10.896 1.00 1.00 H new ATOM 0 HB2 GLN A 34 10.631 -4.214 11.730 1.00 1.00 H new ATOM 0 HB3 GLN A 34 11.973 -5.210 11.202 1.00 1.00 H new ATOM 0 HG2 GLN A 34 12.322 -4.731 13.564 1.00 1.00 H new ATOM 0 HG3 GLN A 34 13.518 -3.813 12.670 1.00 1.00 H new ATOM 0 HE21 GLN A 34 13.747 -1.915 13.930 1.00 1.00 H new ATOM 0 HE22 GLN A 34 12.390 -0.864 14.349 1.00 1.00 H new ATOM 536 N LEU A 35 13.756 -4.221 9.121 1.00 1.00 N ATOM 537 CA LEU A 35 15.116 -4.448 8.635 1.00 1.00 C ATOM 538 C LEU A 35 15.592 -3.265 7.801 1.00 1.00 C ATOM 539 O LEU A 35 16.747 -2.850 7.893 1.00 1.00 O ATOM 540 CB LEU A 35 15.178 -5.761 7.812 1.00 1.00 C ATOM 541 CG LEU A 35 15.529 -6.965 8.710 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.391 -7.247 9.694 1.00 1.00 C ATOM 543 CD2 LEU A 35 15.762 -8.199 7.831 1.00 1.00 C ATOM 0 H LEU A 35 13.039 -4.796 8.677 1.00 1.00 H new ATOM 0 HA LEU A 35 15.781 -4.546 9.493 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.218 -5.934 7.326 1.00 1.00 H new ATOM 0 HB3 LEU A 35 15.923 -5.664 7.022 1.00 1.00 H new ATOM 0 HG LEU A 35 16.432 -6.735 9.275 1.00 1.00 H new ATOM 0 HD11 LEU A 35 14.654 -8.099 10.320 1.00 1.00 H new ATOM 0 HD12 LEU A 35 14.228 -6.371 10.323 1.00 1.00 H new ATOM 0 HD13 LEU A 35 13.479 -7.471 9.141 1.00 1.00 H new ATOM 0 HD21 LEU A 35 16.011 -9.053 8.461 1.00 1.00 H new ATOM 0 HD22 LEU A 35 14.857 -8.418 7.264 1.00 1.00 H new ATOM 0 HD23 LEU A 35 16.584 -8.005 7.142 1.00 1.00 H new ATOM 555 N ASP A 36 14.693 -2.725 6.984 1.00 1.00 N ATOM 556 CA ASP A 36 15.043 -1.596 6.131 1.00 1.00 C ATOM 557 C ASP A 36 13.775 -0.928 5.562 1.00 1.00 C ATOM 558 O ASP A 36 13.068 -1.562 4.780 1.00 1.00 O ATOM 559 CB ASP A 36 15.923 -2.083 4.981 1.00 1.00 C ATOM 560 CG ASP A 36 16.362 -0.899 4.129 1.00 1.00 C ATOM 561 OD1 ASP A 36 16.372 0.208 4.645 1.00 1.00 O ATOM 562 OD2 ASP A 36 16.686 -1.115 2.973 1.00 1.00 O ATOM 0 H ASP A 36 13.729 -3.046 6.895 1.00 1.00 H new ATOM 0 HA ASP A 36 15.584 -0.862 6.728 1.00 1.00 H new ATOM 0 HB2 ASP A 36 16.796 -2.603 5.375 1.00 1.00 H new ATOM 0 HB3 ASP A 36 15.374 -2.799 4.369 1.00 1.00 H new ATOM 567 N PRO A 37 13.494 0.294 5.927 1.00 1.00 N ATOM 568 CA PRO A 37 12.286 0.994 5.408 1.00 1.00 C ATOM 569 C PRO A 37 12.528 1.614 4.035 1.00 1.00 C ATOM 570 O PRO A 37 11.591 2.054 3.371 1.00 1.00 O ATOM 571 CB PRO A 37 12.014 2.052 6.486 1.00 1.00 C ATOM 572 CG PRO A 37 13.380 2.435 6.970 1.00 1.00 C ATOM 573 CD PRO A 37 14.247 1.167 6.855 1.00 1.00 C ATOM 0 HA PRO A 37 11.440 0.326 5.247 1.00 1.00 H new ATOM 0 HB2 PRO A 37 11.480 2.910 6.078 1.00 1.00 H new ATOM 0 HB3 PRO A 37 11.402 1.651 7.294 1.00 1.00 H new ATOM 0 HG2 PRO A 37 13.793 3.245 6.369 1.00 1.00 H new ATOM 0 HG3 PRO A 37 13.343 2.789 8.000 1.00 1.00 H new ATOM 0 HD2 PRO A 37 15.240 1.397 6.468 1.00 1.00 H new ATOM 0 HD3 PRO A 37 14.386 0.690 7.825 1.00 1.00 H new ATOM 581 N GLU A 38 13.782 1.642 3.594 1.00 1.00 N ATOM 582 CA GLU A 38 14.140 2.201 2.293 1.00 1.00 C ATOM 583 C GLU A 38 13.641 1.303 1.165 1.00 1.00 C ATOM 584 O GLU A 38 14.304 1.145 0.141 1.00 1.00 O ATOM 585 CB GLU A 38 15.666 2.342 2.187 1.00 1.00 C ATOM 586 CG GLU A 38 16.179 3.386 3.186 1.00 1.00 C ATOM 587 CD GLU A 38 15.704 4.782 2.790 1.00 1.00 C ATOM 588 OE1 GLU A 38 15.357 4.963 1.635 1.00 1.00 O ATOM 589 OE2 GLU A 38 15.701 5.649 3.649 1.00 1.00 O ATOM 0 H GLU A 38 14.575 1.280 4.124 1.00 1.00 H new ATOM 0 HA GLU A 38 13.671 3.181 2.201 1.00 1.00 H new ATOM 0 HB2 GLU A 38 16.140 1.380 2.381 1.00 1.00 H new ATOM 0 HB3 GLU A 38 15.941 2.634 1.173 1.00 1.00 H new ATOM 0 HG2 GLU A 38 15.824 3.145 4.188 1.00 1.00 H new ATOM 0 HG3 GLU A 38 17.268 3.362 3.220 1.00 1.00 H new ATOM 596 N GLU A 39 12.464 0.712 1.343 1.00 1.00 N ATOM 597 CA GLU A 39 11.871 -0.174 0.334 1.00 1.00 C ATOM 598 C GLU A 39 10.427 0.230 0.062 1.00 1.00 C ATOM 599 O GLU A 39 9.516 -0.113 0.815 1.00 1.00 O ATOM 600 CB GLU A 39 11.917 -1.624 0.832 1.00 1.00 C ATOM 601 CG GLU A 39 13.372 -2.098 0.908 1.00 1.00 C ATOM 602 CD GLU A 39 13.438 -3.521 1.459 1.00 1.00 C ATOM 603 OE1 GLU A 39 12.388 -4.089 1.715 1.00 1.00 O ATOM 604 OE2 GLU A 39 14.538 -4.024 1.613 1.00 1.00 O ATOM 0 H GLU A 39 11.895 0.829 2.181 1.00 1.00 H new ATOM 0 HA GLU A 39 12.441 -0.089 -0.591 1.00 1.00 H new ATOM 0 HB2 GLU A 39 11.449 -1.696 1.814 1.00 1.00 H new ATOM 0 HB3 GLU A 39 11.349 -2.268 0.160 1.00 1.00 H new ATOM 0 HG2 GLU A 39 13.825 -2.063 -0.083 1.00 1.00 H new ATOM 0 HG3 GLU A 39 13.947 -1.427 1.546 1.00 1.00 H new ATOM 611 N SER A 40 10.213 0.967 -1.023 1.00 1.00 N ATOM 612 CA SER A 40 8.880 1.414 -1.402 1.00 1.00 C ATOM 613 C SER A 40 8.006 0.235 -1.803 1.00 1.00 C ATOM 614 O SER A 40 6.849 0.136 -1.394 1.00 1.00 O ATOM 615 CB SER A 40 8.965 2.412 -2.557 1.00 1.00 C ATOM 616 OG SER A 40 7.679 2.560 -3.146 1.00 1.00 O ATOM 0 H SER A 40 10.952 1.268 -1.658 1.00 1.00 H new ATOM 0 HA SER A 40 8.429 1.902 -0.538 1.00 1.00 H new ATOM 0 HB2 SER A 40 9.325 3.375 -2.195 1.00 1.00 H new ATOM 0 HB3 SER A 40 9.681 2.064 -3.302 1.00 1.00 H new ATOM 0 HG SER A 40 7.730 3.200 -3.886 1.00 1.00 H new ATOM 622 N LYS A 41 8.559 -0.662 -2.612 1.00 1.00 N ATOM 623 CA LYS A 41 7.823 -1.834 -3.081 1.00 1.00 C ATOM 624 C LYS A 41 7.149 -2.532 -1.904 1.00 1.00 C ATOM 625 O LYS A 41 6.070 -3.109 -2.046 1.00 1.00 O ATOM 626 CB LYS A 41 8.777 -2.824 -3.774 1.00 1.00 C ATOM 627 CG LYS A 41 9.284 -2.241 -5.102 1.00 1.00 C ATOM 628 CD LYS A 41 10.089 -3.308 -5.867 1.00 1.00 C ATOM 629 CE LYS A 41 11.316 -3.751 -5.047 1.00 1.00 C ATOM 630 NZ LYS A 41 11.921 -2.572 -4.364 1.00 1.00 N ATOM 0 H LYS A 41 9.517 -0.601 -2.958 1.00 1.00 H new ATOM 0 HA LYS A 41 7.067 -1.503 -3.793 1.00 1.00 H new ATOM 0 HB2 LYS A 41 9.621 -3.043 -3.120 1.00 1.00 H new ATOM 0 HB3 LYS A 41 8.262 -3.767 -3.957 1.00 1.00 H new ATOM 0 HG2 LYS A 41 8.442 -1.905 -5.707 1.00 1.00 H new ATOM 0 HG3 LYS A 41 9.909 -1.368 -4.912 1.00 1.00 H new ATOM 0 HD2 LYS A 41 9.455 -4.169 -6.077 1.00 1.00 H new ATOM 0 HD3 LYS A 41 10.412 -2.908 -6.828 1.00 1.00 H new ATOM 0 HE2 LYS A 41 11.021 -4.498 -4.310 1.00 1.00 H new ATOM 0 HE3 LYS A 41 12.051 -4.221 -5.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 12.904 -2.789 -4.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 11.906 -1.754 -5.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 11.376 -2.350 -3.507 1.00 1.00 H new ATOM 644 N TYR A 42 7.761 -2.488 -0.725 1.00 1.00 N ATOM 645 CA TYR A 42 7.199 -3.113 0.470 1.00 1.00 C ATOM 646 C TYR A 42 6.078 -2.252 1.046 1.00 1.00 C ATOM 647 O TYR A 42 5.109 -2.769 1.605 1.00 1.00 O ATOM 648 CB TYR A 42 8.318 -3.313 1.515 1.00 1.00 C ATOM 649 CG TYR A 42 9.036 -4.634 1.274 1.00 1.00 C ATOM 650 CD1 TYR A 42 9.853 -4.796 0.144 1.00 1.00 C ATOM 651 CD2 TYR A 42 8.887 -5.693 2.182 1.00 1.00 C ATOM 652 CE1 TYR A 42 10.514 -6.010 -0.072 1.00 1.00 C ATOM 653 CE2 TYR A 42 9.546 -6.904 1.961 1.00 1.00 C ATOM 654 CZ TYR A 42 10.361 -7.064 0.837 1.00 1.00 C ATOM 655 OH TYR A 42 11.014 -8.259 0.626 1.00 1.00 O ATOM 0 H TYR A 42 8.655 -2.022 -0.570 1.00 1.00 H new ATOM 0 HA TYR A 42 6.777 -4.082 0.204 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.029 -2.489 1.458 1.00 1.00 H new ATOM 0 HB3 TYR A 42 7.894 -3.300 2.519 1.00 1.00 H new ATOM 0 HD1 TYR A 42 9.971 -3.984 -0.558 1.00 1.00 H new ATOM 0 HD2 TYR A 42 8.261 -5.571 3.054 1.00 1.00 H new ATOM 0 HE1 TYR A 42 11.143 -6.134 -0.941 1.00 1.00 H new ATOM 0 HE2 TYR A 42 9.426 -7.719 2.660 1.00 1.00 H new ATOM 0 HH TYR A 42 10.799 -8.882 1.352 1.00 1.00 H new ATOM 665 N TRP A 43 6.216 -0.938 0.907 1.00 1.00 N ATOM 666 CA TRP A 43 5.204 -0.019 1.423 1.00 1.00 C ATOM 667 C TRP A 43 3.999 0.030 0.484 1.00 1.00 C ATOM 668 O TRP A 43 2.854 0.087 0.929 1.00 1.00 O ATOM 669 CB TRP A 43 5.821 1.387 1.580 1.00 1.00 C ATOM 670 CG TRP A 43 6.476 1.529 2.920 1.00 1.00 C ATOM 671 CD1 TRP A 43 7.808 1.518 3.155 1.00 1.00 C ATOM 672 CD2 TRP A 43 5.832 1.714 4.209 1.00 1.00 C ATOM 673 NE1 TRP A 43 8.019 1.682 4.513 1.00 1.00 N ATOM 674 CE2 TRP A 43 6.829 1.807 5.204 1.00 1.00 C ATOM 675 CE3 TRP A 43 4.487 1.809 4.603 1.00 1.00 C ATOM 676 CZ2 TRP A 43 6.503 1.987 6.549 1.00 1.00 C ATOM 677 CZ3 TRP A 43 4.153 1.990 5.954 1.00 1.00 C ATOM 678 CH2 TRP A 43 5.158 2.080 6.925 1.00 1.00 C ATOM 0 H TRP A 43 7.008 -0.488 0.448 1.00 1.00 H new ATOM 0 HA TRP A 43 4.862 -0.372 2.396 1.00 1.00 H new ATOM 0 HB2 TRP A 43 6.553 1.559 0.791 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.046 2.145 1.466 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.579 1.401 2.407 1.00 1.00 H new ATOM 0 HE1 TRP A 43 8.940 1.707 4.950 1.00 1.00 H new ATOM 0 HE3 TRP A 43 3.705 1.742 3.861 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 7.282 2.054 7.294 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.116 2.060 6.246 1.00 1.00 H new ATOM 0 HH2 TRP A 43 4.896 2.221 7.963 1.00 1.00 H new ATOM 689 N LEU A 44 4.282 0.007 -0.814 1.00 1.00 N ATOM 690 CA LEU A 44 3.222 0.061 -1.808 1.00 1.00 C ATOM 691 C LEU A 44 2.238 -1.085 -1.611 1.00 1.00 C ATOM 692 O LEU A 44 1.027 -0.908 -1.737 1.00 1.00 O ATOM 693 CB LEU A 44 3.843 -0.007 -3.208 1.00 1.00 C ATOM 694 CG LEU A 44 2.728 -0.028 -4.303 1.00 1.00 C ATOM 695 CD1 LEU A 44 3.135 0.859 -5.481 1.00 1.00 C ATOM 696 CD2 LEU A 44 2.501 -1.465 -4.817 1.00 1.00 C ATOM 0 H LEU A 44 5.226 -0.048 -1.197 1.00 1.00 H new ATOM 0 HA LEU A 44 2.674 0.997 -1.695 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.497 0.851 -3.364 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.462 -0.900 -3.294 1.00 1.00 H new ATOM 0 HG LEU A 44 1.806 0.346 -3.857 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.352 0.838 -6.239 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.277 1.882 -5.134 1.00 1.00 H new ATOM 0 HD13 LEU A 44 4.066 0.489 -5.910 1.00 1.00 H new ATOM 0 HD21 LEU A 44 1.721 -1.460 -5.579 1.00 1.00 H new ATOM 0 HD22 LEU A 44 3.426 -1.848 -5.247 1.00 1.00 H new ATOM 0 HD23 LEU A 44 2.195 -2.104 -3.988 1.00 1.00 H new ATOM 708 N MET A 45 2.780 -2.255 -1.290 1.00 1.00 N ATOM 709 CA MET A 45 1.927 -3.420 -1.070 1.00 1.00 C ATOM 710 C MET A 45 1.081 -3.245 0.195 1.00 1.00 C ATOM 711 O MET A 45 -0.086 -3.637 0.216 1.00 1.00 O ATOM 712 CB MET A 45 2.803 -4.687 -0.968 1.00 1.00 C ATOM 713 CG MET A 45 3.098 -5.252 -2.364 1.00 1.00 C ATOM 714 SD MET A 45 3.887 -3.988 -3.391 1.00 1.00 S ATOM 715 CE MET A 45 3.672 -4.805 -4.992 1.00 1.00 C ATOM 0 H MET A 45 3.780 -2.422 -1.178 1.00 1.00 H new ATOM 0 HA MET A 45 1.245 -3.524 -1.914 1.00 1.00 H new ATOM 0 HB2 MET A 45 3.738 -4.450 -0.461 1.00 1.00 H new ATOM 0 HB3 MET A 45 2.295 -5.440 -0.365 1.00 1.00 H new ATOM 0 HG2 MET A 45 3.748 -6.123 -2.283 1.00 1.00 H new ATOM 0 HG3 MET A 45 2.173 -5.587 -2.832 1.00 1.00 H new ATOM 0 HE1 MET A 45 4.098 -4.182 -5.779 1.00 1.00 H new ATOM 0 HE2 MET A 45 4.179 -5.770 -4.979 1.00 1.00 H new ATOM 0 HE3 MET A 45 2.610 -4.956 -5.184 1.00 1.00 H new ATOM 725 N LYS A 46 1.706 -2.663 1.213 1.00 1.00 N ATOM 726 CA LYS A 46 1.004 -2.466 2.476 1.00 1.00 C ATOM 727 C LYS A 46 -0.269 -1.645 2.259 1.00 1.00 C ATOM 728 O LYS A 46 -1.336 -1.991 2.767 1.00 1.00 O ATOM 729 CB LYS A 46 1.915 -1.744 3.480 1.00 1.00 C ATOM 730 CG LYS A 46 1.286 -1.789 4.884 1.00 1.00 C ATOM 731 CD LYS A 46 2.251 -1.182 5.914 1.00 1.00 C ATOM 732 CE LYS A 46 1.629 -1.241 7.316 1.00 1.00 C ATOM 733 NZ LYS A 46 1.449 -2.663 7.731 1.00 1.00 N ATOM 0 H LYS A 46 2.669 -2.328 1.192 1.00 1.00 H new ATOM 0 HA LYS A 46 0.732 -3.444 2.873 1.00 1.00 H new ATOM 0 HB2 LYS A 46 2.898 -2.215 3.497 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.063 -0.709 3.171 1.00 1.00 H new ATOM 0 HG2 LYS A 46 0.345 -1.239 4.887 1.00 1.00 H new ATOM 0 HG3 LYS A 46 1.054 -2.819 5.154 1.00 1.00 H new ATOM 0 HD2 LYS A 46 3.196 -1.725 5.903 1.00 1.00 H new ATOM 0 HD3 LYS A 46 2.475 -0.148 5.650 1.00 1.00 H new ATOM 0 HE2 LYS A 46 2.269 -0.723 8.030 1.00 1.00 H new ATOM 0 HE3 LYS A 46 0.668 -0.727 7.319 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 1.323 -2.710 8.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 0.610 -3.058 7.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 2.289 -3.213 7.459 1.00 1.00 H new ATOM 747 N GLY A 47 -0.150 -0.557 1.505 1.00 1.00 N ATOM 748 CA GLY A 47 -1.300 0.303 1.240 1.00 1.00 C ATOM 749 C GLY A 47 -2.481 -0.510 0.709 1.00 1.00 C ATOM 750 O GLY A 47 -3.616 -0.308 1.140 1.00 1.00 O ATOM 0 H GLY A 47 0.721 -0.251 1.070 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.591 0.819 2.155 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -1.026 1.069 0.515 1.00 1.00 H new ATOM 754 N LYS A 48 -2.203 -1.424 -0.215 1.00 1.00 N ATOM 755 CA LYS A 48 -3.256 -2.264 -0.787 1.00 1.00 C ATOM 756 C LYS A 48 -3.914 -3.113 0.302 1.00 1.00 C ATOM 757 O LYS A 48 -5.113 -3.388 0.249 1.00 1.00 O ATOM 758 CB LYS A 48 -2.676 -3.181 -1.871 1.00 1.00 C ATOM 759 CG LYS A 48 -2.185 -2.340 -3.061 1.00 1.00 C ATOM 760 CD LYS A 48 -1.480 -3.243 -4.087 1.00 1.00 C ATOM 761 CE LYS A 48 -0.883 -2.390 -5.221 1.00 1.00 C ATOM 762 NZ LYS A 48 -1.973 -1.909 -6.120 1.00 1.00 N ATOM 0 H LYS A 48 -1.268 -1.603 -0.582 1.00 1.00 H new ATOM 0 HA LYS A 48 -4.007 -1.612 -1.233 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.851 -3.765 -1.462 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -3.434 -3.890 -2.204 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -3.027 -1.831 -3.530 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.500 -1.567 -2.713 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -0.691 -3.815 -3.598 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.189 -3.963 -4.497 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -0.342 -1.541 -4.803 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -0.163 -2.978 -5.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -1.559 -1.391 -6.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.514 -2.723 -6.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -2.607 -1.278 -5.590 1.00 1.00 H new ATOM 776 N ALA A 49 -3.125 -3.529 1.289 1.00 1.00 N ATOM 777 CA ALA A 49 -3.656 -4.350 2.378 1.00 1.00 C ATOM 778 C ALA A 49 -4.636 -3.553 3.236 1.00 1.00 C ATOM 779 O ALA A 49 -5.750 -4.001 3.505 1.00 1.00 O ATOM 780 CB ALA A 49 -2.505 -4.863 3.253 1.00 1.00 C ATOM 0 H ALA A 49 -2.130 -3.316 1.359 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.188 -5.195 1.940 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.907 -5.473 4.062 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.827 -5.464 2.647 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.962 -4.016 3.673 1.00 1.00 H new ATOM 786 N LEU A 50 -4.193 -2.370 3.651 1.00 1.00 N ATOM 787 CA LEU A 50 -5.032 -1.513 4.479 1.00 1.00 C ATOM 788 C LEU A 50 -6.271 -1.065 3.708 1.00 1.00 C ATOM 789 O LEU A 50 -7.378 -1.063 4.245 1.00 1.00 O ATOM 790 CB LEU A 50 -4.224 -0.293 4.919 1.00 1.00 C ATOM 791 CG LEU A 50 -3.110 -0.708 5.912 1.00 1.00 C ATOM 792 CD1 LEU A 50 -2.053 0.402 5.974 1.00 1.00 C ATOM 793 CD2 LEU A 50 -3.687 -0.941 7.327 1.00 1.00 C ATOM 0 H LEU A 50 -3.273 -1.988 3.432 1.00 1.00 H new ATOM 0 HA LEU A 50 -5.358 -2.075 5.354 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.781 0.190 4.048 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.884 0.437 5.388 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.663 -1.639 5.563 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.266 0.116 6.671 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.624 0.551 4.983 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.518 1.328 6.311 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.884 -1.231 8.004 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.151 -0.022 7.687 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -4.434 -1.734 7.289 1.00 1.00 H new ATOM 805 N TYR A 51 -6.072 -0.691 2.449 1.00 1.00 N ATOM 806 CA TYR A 51 -7.187 -0.241 1.630 1.00 1.00 C ATOM 807 C TYR A 51 -8.263 -1.325 1.555 1.00 1.00 C ATOM 808 O TYR A 51 -9.442 -1.059 1.788 1.00 1.00 O ATOM 809 CB TYR A 51 -6.677 0.098 0.208 1.00 1.00 C ATOM 810 CG TYR A 51 -7.818 0.022 -0.793 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.718 1.081 -0.903 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.978 -1.122 -1.589 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.781 1.002 -1.814 1.00 1.00 C ATOM 814 CE2 TYR A 51 -9.039 -1.200 -2.496 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.940 -0.138 -2.610 1.00 1.00 C ATOM 816 OH TYR A 51 -10.986 -0.212 -3.506 1.00 1.00 O ATOM 0 H TYR A 51 -5.166 -0.690 1.981 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.624 0.650 2.081 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.242 1.097 0.199 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.887 -0.596 -0.078 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.597 1.960 -0.288 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -7.281 -1.943 -1.501 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.478 1.822 -1.902 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -9.162 -2.081 -3.108 1.00 1.00 H new ATOM 0 HH TYR A 51 -10.634 -0.219 -4.420 1.00 1.00 H new ATOM 826 N ASN A 52 -7.861 -2.549 1.229 1.00 1.00 N ATOM 827 CA ASN A 52 -8.809 -3.643 1.119 1.00 1.00 C ATOM 828 C ASN A 52 -9.493 -3.897 2.458 1.00 1.00 C ATOM 829 O ASN A 52 -10.598 -4.436 2.497 1.00 1.00 O ATOM 830 CB ASN A 52 -8.085 -4.909 0.656 1.00 1.00 C ATOM 831 CG ASN A 52 -7.606 -4.739 -0.783 1.00 1.00 C ATOM 832 OD1 ASN A 52 -6.426 -4.934 -1.073 1.00 1.00 O ATOM 833 ND2 ASN A 52 -8.458 -4.386 -1.706 1.00 1.00 N ATOM 0 H ASN A 52 -6.892 -2.804 1.038 1.00 1.00 H new ATOM 0 HA ASN A 52 -9.570 -3.373 0.387 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -7.236 -5.112 1.309 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -8.754 -5.767 0.727 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -8.147 -4.271 -2.670 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -9.435 -4.225 -1.463 1.00 1.00 H new ATOM 840 N LEU A 53 -8.827 -3.506 3.538 1.00 1.00 N ATOM 841 CA LEU A 53 -9.362 -3.688 4.887 1.00 1.00 C ATOM 842 C LEU A 53 -10.353 -2.591 5.230 1.00 1.00 C ATOM 843 O LEU A 53 -10.707 -2.392 6.393 1.00 1.00 O ATOM 844 CB LEU A 53 -8.219 -3.716 5.915 1.00 1.00 C ATOM 845 CG LEU A 53 -7.479 -5.072 5.838 1.00 1.00 C ATOM 846 CD1 LEU A 53 -6.138 -4.973 6.588 1.00 1.00 C ATOM 847 CD2 LEU A 53 -8.357 -6.197 6.450 1.00 1.00 C ATOM 0 H LEU A 53 -7.911 -3.058 3.508 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.887 -4.643 4.919 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.523 -2.900 5.721 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.616 -3.564 6.919 1.00 1.00 H new ATOM 0 HG LEU A 53 -7.285 -5.315 4.793 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -5.619 -5.930 6.532 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -5.522 -4.198 6.131 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -6.323 -4.721 7.632 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -7.825 -7.147 6.390 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -8.570 -5.965 7.494 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -9.293 -6.270 5.896 1.00 1.00 H new ATOM 859 N GLU A 54 -10.820 -1.873 4.214 1.00 1.00 N ATOM 860 CA GLU A 54 -11.787 -0.785 4.369 1.00 1.00 C ATOM 861 C GLU A 54 -11.130 0.418 5.032 1.00 1.00 C ATOM 862 O GLU A 54 -11.795 1.398 5.371 1.00 1.00 O ATOM 863 CB GLU A 54 -12.974 -1.241 5.244 1.00 1.00 C ATOM 864 CG GLU A 54 -13.607 -2.513 4.665 1.00 1.00 C ATOM 865 CD GLU A 54 -14.734 -2.994 5.580 1.00 1.00 C ATOM 866 OE1 GLU A 54 -14.966 -2.356 6.595 1.00 1.00 O ATOM 867 OE2 GLU A 54 -15.345 -4.000 5.255 1.00 1.00 O ATOM 0 H GLU A 54 -10.536 -2.030 3.247 1.00 1.00 H new ATOM 0 HA GLU A 54 -12.145 -0.510 3.377 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -12.633 -1.428 6.262 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -13.720 -0.448 5.298 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -13.997 -2.314 3.667 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -12.852 -3.292 4.563 1.00 1.00 H new ATOM 874 N ARG A 55 -9.816 0.350 5.216 1.00 1.00 N ATOM 875 CA ARG A 55 -9.057 1.435 5.840 1.00 1.00 C ATOM 876 C ARG A 55 -8.532 2.394 4.768 1.00 1.00 C ATOM 877 O ARG A 55 -7.325 2.594 4.629 1.00 1.00 O ATOM 878 CB ARG A 55 -7.882 0.857 6.635 1.00 1.00 C ATOM 879 CG ARG A 55 -8.358 -0.301 7.511 1.00 1.00 C ATOM 880 CD ARG A 55 -7.168 -0.909 8.252 1.00 1.00 C ATOM 881 NE ARG A 55 -7.611 -1.987 9.125 1.00 1.00 N ATOM 882 CZ ARG A 55 -6.749 -2.666 9.877 1.00 1.00 C ATOM 883 NH1 ARG A 55 -5.476 -2.375 9.838 1.00 1.00 N ATOM 884 NH2 ARG A 55 -7.174 -3.625 10.652 1.00 1.00 N ATOM 0 H ARG A 55 -9.248 -0.451 4.940 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.715 1.982 6.515 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -7.106 0.511 5.952 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.436 1.634 7.256 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -9.102 0.052 8.225 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -8.842 -1.060 6.896 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -6.440 -1.289 7.535 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -6.666 -0.140 8.839 1.00 1.00 H new ATOM 0 HE ARG A 55 -8.602 -2.226 9.161 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -5.142 -1.627 9.231 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -4.816 -2.896 10.415 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -8.167 -3.854 10.682 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -6.513 -4.146 11.229 1.00 1.00 H new ATOM 898 N TYR A 56 -9.455 2.985 4.016 1.00 1.00 N ATOM 899 CA TYR A 56 -9.079 3.917 2.953 1.00 1.00 C ATOM 900 C TYR A 56 -8.212 5.042 3.513 1.00 1.00 C ATOM 901 O TYR A 56 -7.263 5.497 2.874 1.00 1.00 O ATOM 902 CB TYR A 56 -10.345 4.511 2.320 1.00 1.00 C ATOM 903 CG TYR A 56 -11.364 3.413 2.115 1.00 1.00 C ATOM 904 CD1 TYR A 56 -12.261 3.087 3.142 1.00 1.00 C ATOM 905 CD2 TYR A 56 -11.414 2.721 0.903 1.00 1.00 C ATOM 906 CE1 TYR A 56 -13.204 2.071 2.953 1.00 1.00 C ATOM 907 CE2 TYR A 56 -12.357 1.703 0.711 1.00 1.00 C ATOM 908 CZ TYR A 56 -13.252 1.380 1.736 1.00 1.00 C ATOM 909 OH TYR A 56 -14.183 0.379 1.548 1.00 1.00 O ATOM 0 H TYR A 56 -10.459 2.839 4.119 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.509 3.377 2.197 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.756 5.289 2.963 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -10.103 4.981 1.367 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -12.224 3.621 4.080 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -10.723 2.971 0.111 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -13.894 1.820 3.745 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -12.393 1.169 -0.227 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.909 0.710 0.980 1.00 1.00 H new ATOM 919 N GLU A 57 -8.547 5.481 4.723 1.00 1.00 N ATOM 920 CA GLU A 57 -7.793 6.550 5.362 1.00 1.00 C ATOM 921 C GLU A 57 -6.384 6.083 5.718 1.00 1.00 C ATOM 922 O GLU A 57 -5.398 6.739 5.383 1.00 1.00 O ATOM 923 CB GLU A 57 -8.521 7.003 6.635 1.00 1.00 C ATOM 924 CG GLU A 57 -9.843 7.681 6.260 1.00 1.00 C ATOM 925 CD GLU A 57 -10.633 8.024 7.522 1.00 1.00 C ATOM 926 OE1 GLU A 57 -10.113 7.805 8.604 1.00 1.00 O ATOM 927 OE2 GLU A 57 -11.749 8.496 7.385 1.00 1.00 O ATOM 0 H GLU A 57 -9.325 5.118 5.273 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.716 7.384 4.664 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -8.711 6.146 7.281 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -7.894 7.694 7.198 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -9.646 8.587 5.687 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -10.431 7.021 5.622 1.00 1.00 H new ATOM 934 N GLU A 58 -6.309 4.947 6.403 1.00 1.00 N ATOM 935 CA GLU A 58 -5.013 4.413 6.811 1.00 1.00 C ATOM 936 C GLU A 58 -4.160 4.085 5.584 1.00 1.00 C ATOM 937 O GLU A 58 -2.964 4.375 5.554 1.00 1.00 O ATOM 938 CB GLU A 58 -5.201 3.144 7.670 1.00 1.00 C ATOM 939 CG GLU A 58 -3.965 2.904 8.544 1.00 1.00 C ATOM 940 CD GLU A 58 -4.192 1.700 9.450 1.00 1.00 C ATOM 941 OE1 GLU A 58 -5.324 1.493 9.849 1.00 1.00 O ATOM 942 OE2 GLU A 58 -3.227 1.019 9.748 1.00 1.00 O ATOM 0 H GLU A 58 -7.114 4.386 6.684 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.502 5.171 7.405 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -6.084 3.251 8.299 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -5.371 2.282 7.025 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -3.091 2.736 7.914 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -3.758 3.789 9.146 1.00 1.00 H new ATOM 949 N ALA A 59 -4.784 3.482 4.579 1.00 1.00 N ATOM 950 CA ALA A 59 -4.069 3.120 3.364 1.00 1.00 C ATOM 951 C ALA A 59 -3.418 4.349 2.743 1.00 1.00 C ATOM 952 O ALA A 59 -2.275 4.292 2.289 1.00 1.00 O ATOM 953 CB ALA A 59 -5.036 2.473 2.371 1.00 1.00 C ATOM 0 H ALA A 59 -5.774 3.236 4.581 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.284 2.406 3.615 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.498 2.203 1.462 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.469 1.577 2.816 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.831 3.177 2.126 1.00 1.00 H new ATOM 959 N VAL A 60 -4.148 5.460 2.731 1.00 1.00 N ATOM 960 CA VAL A 60 -3.623 6.702 2.178 1.00 1.00 C ATOM 961 C VAL A 60 -2.366 7.119 2.936 1.00 1.00 C ATOM 962 O VAL A 60 -1.425 7.645 2.343 1.00 1.00 O ATOM 963 CB VAL A 60 -4.702 7.812 2.247 1.00 1.00 C ATOM 964 CG1 VAL A 60 -4.063 9.209 2.111 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.710 7.611 1.099 1.00 1.00 C ATOM 0 H VAL A 60 -5.098 5.525 3.095 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.359 6.546 1.132 1.00 1.00 H new ATOM 0 HB VAL A 60 -5.204 7.747 3.212 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.840 9.971 2.162 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.350 9.363 2.921 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.547 9.281 1.154 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.472 8.390 1.143 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.189 7.667 0.143 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -6.184 6.634 1.198 1.00 1.00 H new ATOM 975 N ASP A 61 -2.331 6.896 4.245 1.00 1.00 N ATOM 976 CA ASP A 61 -1.179 7.271 5.047 1.00 1.00 C ATOM 977 C ASP A 61 0.072 6.549 4.555 1.00 1.00 C ATOM 978 O ASP A 61 1.161 7.122 4.561 1.00 1.00 O ATOM 979 CB ASP A 61 -1.431 6.937 6.521 1.00 1.00 C ATOM 980 CG ASP A 61 -2.714 7.611 7.003 1.00 1.00 C ATOM 981 OD1 ASP A 61 -3.129 8.571 6.374 1.00 1.00 O ATOM 982 OD2 ASP A 61 -3.261 7.158 7.995 1.00 1.00 O ATOM 0 H ASP A 61 -3.088 6.458 4.770 1.00 1.00 H new ATOM 0 HA ASP A 61 -1.023 8.345 4.948 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -1.509 5.857 6.649 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -0.588 7.269 7.126 1.00 1.00 H new ATOM 987 N CYS A 62 -0.095 5.300 4.132 1.00 1.00 N ATOM 988 CA CYS A 62 1.037 4.525 3.630 1.00 1.00 C ATOM 989 C CYS A 62 1.523 5.085 2.296 1.00 1.00 C ATOM 990 O CYS A 62 2.716 5.335 2.122 1.00 1.00 O ATOM 991 CB CYS A 62 0.641 3.058 3.458 1.00 1.00 C ATOM 992 SG CYS A 62 0.397 2.312 5.086 1.00 1.00 S ATOM 0 H CYS A 62 -0.988 4.808 4.126 1.00 1.00 H new ATOM 0 HA CYS A 62 1.846 4.595 4.357 1.00 1.00 H new ATOM 0 HB2 CYS A 62 -0.273 2.983 2.870 1.00 1.00 H new ATOM 0 HB3 CYS A 62 1.417 2.521 2.912 1.00 1.00 H new ATOM 0 HG CYS A 62 0.458 1.017 4.984 1.00 1.00 H new ATOM 998 N TYR A 63 0.596 5.278 1.365 1.00 1.00 N ATOM 999 CA TYR A 63 0.963 5.809 0.060 1.00 1.00 C ATOM 1000 C TYR A 63 1.618 7.182 0.208 1.00 1.00 C ATOM 1001 O TYR A 63 2.624 7.471 -0.441 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.280 5.927 -0.830 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.790 4.541 -1.210 1.00 1.00 C ATOM 1004 CD1 TYR A 63 0.005 3.688 -1.991 1.00 1.00 C ATOM 1005 CD2 TYR A 63 -2.059 4.110 -0.789 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.466 2.419 -2.343 1.00 1.00 C ATOM 1007 CE2 TYR A 63 -2.525 2.841 -1.144 1.00 1.00 C ATOM 1008 CZ TYR A 63 -1.729 1.996 -1.920 1.00 1.00 C ATOM 1009 OH TYR A 63 -2.192 0.744 -2.271 1.00 1.00 O ATOM 0 H TYR A 63 -0.397 5.079 1.486 1.00 1.00 H new ATOM 0 HA TYR A 63 1.674 5.125 -0.403 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -1.060 6.478 -0.306 1.00 1.00 H new ATOM 0 HB3 TYR A 63 -0.039 6.493 -1.730 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.981 4.012 -2.320 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -2.677 4.762 -0.189 1.00 1.00 H new ATOM 0 HE1 TYR A 63 0.148 1.764 -2.943 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.501 2.514 -0.818 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.087 0.609 -1.894 1.00 1.00 H new ATOM 1019 N ASN A 64 1.046 8.022 1.064 1.00 1.00 N ATOM 1020 CA ASN A 64 1.593 9.358 1.278 1.00 1.00 C ATOM 1021 C ASN A 64 2.989 9.275 1.885 1.00 1.00 C ATOM 1022 O ASN A 64 3.858 10.083 1.556 1.00 1.00 O ATOM 1023 CB ASN A 64 0.672 10.163 2.193 1.00 1.00 C ATOM 1024 CG ASN A 64 1.238 11.562 2.403 1.00 1.00 C ATOM 1025 OD1 ASN A 64 1.898 12.104 1.517 1.00 1.00 O ATOM 1026 ND2 ASN A 64 1.016 12.181 3.529 1.00 1.00 N ATOM 0 H ASN A 64 0.215 7.806 1.615 1.00 1.00 H new ATOM 0 HA ASN A 64 1.663 9.860 0.313 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.324 10.227 1.755 1.00 1.00 H new ATOM 0 HB3 ASN A 64 0.566 9.657 3.153 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.390 13.118 3.678 1.00 1.00 H new ATOM 0 HD22 ASN A 64 0.468 11.728 4.261 1.00 1.00 H new ATOM 1033 N TYR A 65 3.170 8.291 2.759 1.00 1.00 N ATOM 1034 CA TYR A 65 4.465 8.106 3.399 1.00 1.00 C ATOM 1035 C TYR A 65 5.537 7.866 2.343 1.00 1.00 C ATOM 1036 O TYR A 65 6.627 8.433 2.426 1.00 1.00 O ATOM 1037 CB TYR A 65 4.410 6.917 4.373 1.00 1.00 C ATOM 1038 CG TYR A 65 5.789 6.635 4.930 1.00 1.00 C ATOM 1039 CD1 TYR A 65 6.223 7.274 6.095 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.634 5.731 4.269 1.00 1.00 C ATOM 1041 CE1 TYR A 65 7.498 7.007 6.603 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.909 5.463 4.777 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.341 6.101 5.944 1.00 1.00 C ATOM 1044 OH TYR A 65 9.599 5.842 6.445 1.00 1.00 O ATOM 0 H TYR A 65 2.452 7.622 3.036 1.00 1.00 H new ATOM 0 HA TYR A 65 4.713 9.008 3.959 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.719 7.136 5.187 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.029 6.034 3.860 1.00 1.00 H new ATOM 0 HD1 TYR A 65 5.574 7.973 6.602 1.00 1.00 H new ATOM 0 HD2 TYR A 65 6.299 5.241 3.366 1.00 1.00 H new ATOM 0 HE1 TYR A 65 7.834 7.499 7.504 1.00 1.00 H new ATOM 0 HE2 TYR A 65 8.558 4.765 4.269 1.00 1.00 H new ATOM 0 HH TYR A 65 10.052 5.191 5.870 1.00 1.00 H new ATOM 1054 N VAL A 66 5.227 7.022 1.365 1.00 1.00 N ATOM 1055 CA VAL A 66 6.189 6.710 0.306 1.00 1.00 C ATOM 1056 C VAL A 66 6.509 7.955 -0.505 1.00 1.00 C ATOM 1057 O VAL A 66 7.633 8.127 -0.978 1.00 1.00 O ATOM 1058 CB VAL A 66 5.635 5.616 -0.606 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.608 5.349 -1.767 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.447 4.334 0.202 1.00 1.00 C ATOM 0 H VAL A 66 4.329 6.545 1.280 1.00 1.00 H new ATOM 0 HA VAL A 66 7.108 6.351 0.769 1.00 1.00 H new ATOM 0 HB VAL A 66 4.678 5.942 -1.013 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.202 4.568 -2.410 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.742 6.262 -2.347 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.570 5.028 -1.369 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.052 3.551 -0.445 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.407 4.017 0.611 1.00 1.00 H new ATOM 0 HG23 VAL A 66 4.748 4.517 1.018 1.00 1.00 H new ATOM 1070 N ILE A 67 5.525 8.833 -0.677 1.00 1.00 N ATOM 1071 CA ILE A 67 5.711 10.066 -1.438 1.00 1.00 C ATOM 1072 C ILE A 67 6.374 11.129 -0.565 1.00 1.00 C ATOM 1073 O ILE A 67 6.975 12.079 -1.065 1.00 1.00 O ATOM 1074 CB ILE A 67 4.365 10.554 -1.985 1.00 1.00 C ATOM 1075 CG1 ILE A 67 3.733 9.439 -2.832 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.575 11.789 -2.875 1.00 1.00 C ATOM 1077 CD1 ILE A 67 2.294 9.823 -3.187 1.00 1.00 C ATOM 0 H ILE A 67 4.586 8.713 -0.298 1.00 1.00 H new ATOM 0 HA ILE A 67 6.369 9.870 -2.285 1.00 1.00 H new ATOM 0 HB ILE A 67 3.714 10.814 -1.150 1.00 1.00 H new ATOM 0 HG12 ILE A 67 4.314 9.284 -3.741 1.00 1.00 H new ATOM 0 HG13 ILE A 67 3.745 8.498 -2.282 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.613 12.129 -3.259 1.00 1.00 H new ATOM 0 HG22 ILE A 67 5.034 12.586 -2.289 1.00 1.00 H new ATOM 0 HG23 ILE A 67 5.228 11.530 -3.709 1.00 1.00 H new ATOM 0 HD11 ILE A 67 1.844 9.033 -3.788 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.717 9.956 -2.272 1.00 1.00 H new ATOM 0 HD13 ILE A 67 2.295 10.754 -3.754 1.00 1.00 H new ATOM 1089 N ASN A 68 6.256 10.975 0.750 1.00 1.00 N ATOM 1090 CA ASN A 68 6.831 11.938 1.689 1.00 1.00 C ATOM 1091 C ASN A 68 8.322 11.693 1.890 1.00 1.00 C ATOM 1092 O ASN A 68 9.153 12.379 1.293 1.00 1.00 O ATOM 1093 CB ASN A 68 6.102 11.838 3.035 1.00 1.00 C ATOM 1094 CG ASN A 68 6.702 12.826 4.030 1.00 1.00 C ATOM 1095 OD1 ASN A 68 7.448 12.431 4.926 1.00 1.00 O ATOM 1096 ND2 ASN A 68 6.421 14.094 3.919 1.00 1.00 N ATOM 0 H ASN A 68 5.769 10.195 1.191 1.00 1.00 H new ATOM 0 HA ASN A 68 6.707 12.938 1.274 1.00 1.00 H new ATOM 0 HB2 ASN A 68 5.041 12.046 2.899 1.00 1.00 H new ATOM 0 HB3 ASN A 68 6.181 10.823 3.426 1.00 1.00 H new ATOM 0 HD21 ASN A 68 6.820 14.764 4.576 1.00 1.00 H new ATOM 0 HD22 ASN A 68 5.802 14.416 3.175 1.00 1.00 H new ATOM 1103 N VAL A 69 8.627 10.709 2.729 1.00 1.00 N ATOM 1104 CA VAL A 69 10.027 10.388 3.010 1.00 1.00 C ATOM 1105 C VAL A 69 10.831 10.313 1.708 1.00 1.00 C ATOM 1106 O VAL A 69 11.965 10.787 1.648 1.00 1.00 O ATOM 1107 CB VAL A 69 10.127 9.035 3.753 1.00 1.00 C ATOM 1108 CG1 VAL A 69 9.701 9.223 5.221 1.00 1.00 C ATOM 1109 CG2 VAL A 69 9.219 7.967 3.064 1.00 1.00 C ATOM 0 H VAL A 69 7.944 10.130 3.218 1.00 1.00 H new ATOM 0 HA VAL A 69 10.438 11.177 3.639 1.00 1.00 H new ATOM 0 HB VAL A 69 11.159 8.685 3.717 1.00 1.00 H new ATOM 0 HG11 VAL A 69 9.771 8.270 5.745 1.00 1.00 H new ATOM 0 HG12 VAL A 69 10.357 9.950 5.700 1.00 1.00 H new ATOM 0 HG13 VAL A 69 8.673 9.583 5.258 1.00 1.00 H new ATOM 0 HG21 VAL A 69 9.301 7.021 3.599 1.00 1.00 H new ATOM 0 HG22 VAL A 69 8.183 8.305 3.081 1.00 1.00 H new ATOM 0 HG23 VAL A 69 9.539 7.829 2.031 1.00 1.00 H new ATOM 1119 N ILE A 70 10.246 9.730 0.667 1.00 1.00 N ATOM 1120 CA ILE A 70 10.906 9.598 -0.632 1.00 1.00 C ATOM 1121 C ILE A 70 10.268 10.557 -1.624 1.00 1.00 C ATOM 1122 O ILE A 70 9.093 10.446 -1.978 1.00 1.00 O ATOM 1123 CB ILE A 70 10.774 8.153 -1.148 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.274 7.166 -0.076 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.617 7.983 -2.419 1.00 1.00 C ATOM 1126 CD1 ILE A 70 10.859 5.734 -0.446 1.00 1.00 C ATOM 0 H ILE A 70 9.305 9.337 0.697 1.00 1.00 H new ATOM 0 HA ILE A 70 11.963 9.838 -0.522 1.00 1.00 H new ATOM 0 HB ILE A 70 9.726 7.949 -1.369 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.359 7.228 0.010 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.861 7.433 0.897 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.523 6.960 -2.784 1.00 1.00 H new ATOM 0 HG22 ILE A 70 11.265 8.675 -3.184 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.662 8.193 -2.193 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.217 5.043 0.317 1.00 1.00 H new ATOM 0 HD12 ILE A 70 9.772 5.675 -0.509 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.293 5.467 -1.409 1.00 1.00 H new ATOM 1138 N GLU A 71 11.046 11.525 -2.096 1.00 1.00 N ATOM 1139 CA GLU A 71 10.565 12.507 -3.056 1.00 1.00 C ATOM 1140 C GLU A 71 10.333 11.846 -4.417 1.00 1.00 C ATOM 1141 O GLU A 71 10.431 12.498 -5.457 1.00 1.00 O ATOM 1142 CB GLU A 71 11.594 13.647 -3.193 1.00 1.00 C ATOM 1143 CG GLU A 71 10.930 14.903 -3.783 1.00 1.00 C ATOM 1144 CD GLU A 71 11.942 16.038 -3.870 1.00 1.00 C ATOM 1145 OE1 GLU A 71 13.119 15.770 -3.702 1.00 1.00 O ATOM 1146 OE2 GLU A 71 11.524 17.159 -4.111 1.00 1.00 O ATOM 0 H GLU A 71 12.021 11.649 -1.825 1.00 1.00 H new ATOM 0 HA GLU A 71 9.620 12.917 -2.701 1.00 1.00 H new ATOM 0 HB2 GLU A 71 12.021 13.878 -2.217 1.00 1.00 H new ATOM 0 HB3 GLU A 71 12.416 13.328 -3.834 1.00 1.00 H new ATOM 0 HG2 GLU A 71 10.533 14.683 -4.774 1.00 1.00 H new ATOM 0 HG3 GLU A 71 10.087 15.204 -3.161 1.00 1.00 H new ATOM 1153 N ASP A 72 10.031 10.552 -4.428 1.00 1.00 N ATOM 1154 CA ASP A 72 9.807 9.826 -5.668 1.00 1.00 C ATOM 1155 C ASP A 72 8.882 10.614 -6.585 1.00 1.00 C ATOM 1156 O ASP A 72 9.235 10.923 -7.724 1.00 1.00 O ATOM 1157 CB ASP A 72 9.185 8.458 -5.355 1.00 1.00 C ATOM 1158 CG ASP A 72 9.248 7.548 -6.575 1.00 1.00 C ATOM 1159 OD1 ASP A 72 8.985 8.028 -7.665 1.00 1.00 O ATOM 1160 OD2 ASP A 72 9.570 6.382 -6.402 1.00 1.00 O ATOM 0 H ASP A 72 9.936 9.984 -3.586 1.00 1.00 H new ATOM 0 HA ASP A 72 10.763 9.686 -6.173 1.00 1.00 H new ATOM 0 HB2 ASP A 72 9.713 7.995 -4.522 1.00 1.00 H new ATOM 0 HB3 ASP A 72 8.148 8.587 -5.044 1.00 1.00 H new ATOM 1165 N GLU A 73 7.692 10.941 -6.095 1.00 1.00 N ATOM 1166 CA GLU A 73 6.695 11.702 -6.867 1.00 1.00 C ATOM 1167 C GLU A 73 6.796 11.383 -8.358 1.00 1.00 C ATOM 1168 O GLU A 73 6.736 12.271 -9.209 1.00 1.00 O ATOM 1169 CB GLU A 73 6.889 13.206 -6.643 1.00 1.00 C ATOM 1170 CG GLU A 73 6.516 13.577 -5.207 1.00 1.00 C ATOM 1171 CD GLU A 73 6.860 15.039 -4.936 1.00 1.00 C ATOM 1172 OE1 GLU A 73 7.321 15.702 -5.852 1.00 1.00 O ATOM 1173 OE2 GLU A 73 6.658 15.475 -3.814 1.00 1.00 O ATOM 0 H GLU A 73 7.384 10.691 -5.155 1.00 1.00 H new ATOM 0 HA GLU A 73 5.704 11.411 -6.519 1.00 1.00 H new ATOM 0 HB2 GLU A 73 7.925 13.480 -6.840 1.00 1.00 H new ATOM 0 HB3 GLU A 73 6.272 13.768 -7.344 1.00 1.00 H new ATOM 0 HG2 GLU A 73 5.451 13.410 -5.045 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.050 12.934 -4.507 1.00 1.00 H new ATOM 1180 N TYR A 74 6.961 10.100 -8.662 1.00 1.00 N ATOM 1181 CA TYR A 74 7.089 9.649 -10.045 1.00 1.00 C ATOM 1182 C TYR A 74 6.593 8.214 -10.195 1.00 1.00 C ATOM 1183 O TYR A 74 6.070 7.844 -11.247 1.00 1.00 O ATOM 1184 CB TYR A 74 8.556 9.720 -10.482 1.00 1.00 C ATOM 1185 CG TYR A 74 8.665 9.283 -11.925 1.00 1.00 C ATOM 1186 CD1 TYR A 74 8.875 7.934 -12.231 1.00 1.00 C ATOM 1187 CD2 TYR A 74 8.545 10.224 -12.955 1.00 1.00 C ATOM 1188 CE1 TYR A 74 8.967 7.523 -13.565 1.00 1.00 C ATOM 1189 CE2 TYR A 74 8.637 9.814 -14.291 1.00 1.00 C ATOM 1190 CZ TYR A 74 8.849 8.464 -14.595 1.00 1.00 C ATOM 1191 OH TYR A 74 8.940 8.059 -15.911 1.00 1.00 O ATOM 0 H TYR A 74 7.009 9.353 -7.969 1.00 1.00 H new ATOM 0 HA TYR A 74 6.482 10.301 -10.673 1.00 1.00 H new ATOM 0 HB2 TYR A 74 8.934 10.736 -10.367 1.00 1.00 H new ATOM 0 HB3 TYR A 74 9.169 9.079 -9.848 1.00 1.00 H new ATOM 0 HD1 TYR A 74 8.966 7.209 -11.436 1.00 1.00 H new ATOM 0 HD2 TYR A 74 8.382 11.265 -12.719 1.00 1.00 H new ATOM 0 HE1 TYR A 74 9.129 6.481 -13.800 1.00 1.00 H new ATOM 0 HE2 TYR A 74 8.544 10.539 -15.086 1.00 1.00 H new ATOM 0 HH TYR A 74 8.836 8.835 -16.500 1.00 1.00 H new ATOM 1201 N ASN A 75 6.751 7.415 -9.146 1.00 1.00 N ATOM 1202 CA ASN A 75 6.327 6.021 -9.168 1.00 1.00 C ATOM 1203 C ASN A 75 4.869 5.918 -9.617 1.00 1.00 C ATOM 1204 O ASN A 75 3.937 6.315 -8.919 1.00 1.00 O ATOM 1205 CB ASN A 75 6.522 5.411 -7.773 1.00 1.00 C ATOM 1206 CG ASN A 75 6.452 3.887 -7.823 1.00 1.00 C ATOM 1207 OD1 ASN A 75 6.937 3.216 -6.912 1.00 1.00 O ATOM 1208 ND2 ASN A 75 5.869 3.297 -8.828 1.00 1.00 N ATOM 0 H ASN A 75 7.172 7.711 -8.265 1.00 1.00 H new ATOM 0 HA ASN A 75 6.934 5.464 -9.882 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.486 5.720 -7.369 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.756 5.791 -7.097 1.00 1.00 H new ATOM 0 HD21 ASN A 75 5.814 2.279 -8.860 1.00 1.00 H new ATOM 0 HD22 ASN A 75 5.467 3.853 -9.583 1.00 1.00 H new ATOM 1215 N LYS A 76 4.669 5.380 -10.815 1.00 1.00 N ATOM 1216 CA LYS A 76 3.329 5.231 -11.382 1.00 1.00 C ATOM 1217 C LYS A 76 2.504 4.258 -10.554 1.00 1.00 C ATOM 1218 O LYS A 76 1.305 4.455 -10.355 1.00 1.00 O ATOM 1219 CB LYS A 76 3.438 4.729 -12.826 1.00 1.00 C ATOM 1220 CG LYS A 76 4.300 5.690 -13.664 1.00 1.00 C ATOM 1221 CD LYS A 76 3.603 7.057 -13.816 1.00 1.00 C ATOM 1222 CE LYS A 76 4.251 7.846 -14.953 1.00 1.00 C ATOM 1223 NZ LYS A 76 5.697 8.049 -14.656 1.00 1.00 N ATOM 0 H LYS A 76 5.419 5.038 -11.416 1.00 1.00 H new ATOM 0 HA LYS A 76 2.831 6.200 -11.371 1.00 1.00 H new ATOM 0 HB2 LYS A 76 3.877 3.731 -12.839 1.00 1.00 H new ATOM 0 HB3 LYS A 76 2.444 4.645 -13.265 1.00 1.00 H new ATOM 0 HG2 LYS A 76 5.272 5.823 -13.189 1.00 1.00 H new ATOM 0 HG3 LYS A 76 4.483 5.258 -14.648 1.00 1.00 H new ATOM 0 HD2 LYS A 76 2.542 6.914 -14.020 1.00 1.00 H new ATOM 0 HD3 LYS A 76 3.676 7.618 -12.884 1.00 1.00 H new ATOM 0 HE2 LYS A 76 4.134 7.310 -15.895 1.00 1.00 H new ATOM 0 HE3 LYS A 76 3.754 8.809 -15.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 6.080 8.786 -15.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 5.810 8.343 -13.665 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 6.212 7.159 -14.814 1.00 1.00 H new ATOM 1237 N ASP A 77 3.157 3.205 -10.072 1.00 1.00 N ATOM 1238 CA ASP A 77 2.474 2.203 -9.269 1.00 1.00 C ATOM 1239 C ASP A 77 1.894 2.834 -8.003 1.00 1.00 C ATOM 1240 O ASP A 77 0.776 2.514 -7.599 1.00 1.00 O ATOM 1241 CB ASP A 77 3.454 1.095 -8.885 1.00 1.00 C ATOM 1242 CG ASP A 77 4.092 0.500 -10.134 1.00 1.00 C ATOM 1243 OD1 ASP A 77 3.353 0.088 -11.014 1.00 1.00 O ATOM 1244 OD2 ASP A 77 5.309 0.456 -10.188 1.00 1.00 O ATOM 0 H ASP A 77 4.150 3.026 -10.223 1.00 1.00 H new ATOM 0 HA ASP A 77 1.658 1.783 -9.857 1.00 1.00 H new ATOM 0 HB2 ASP A 77 4.227 1.495 -8.228 1.00 1.00 H new ATOM 0 HB3 ASP A 77 2.933 0.316 -8.328 1.00 1.00 H new ATOM 1249 N VAL A 78 2.656 3.730 -7.385 1.00 1.00 N ATOM 1250 CA VAL A 78 2.200 4.400 -6.166 1.00 1.00 C ATOM 1251 C VAL A 78 0.998 5.287 -6.464 1.00 1.00 C ATOM 1252 O VAL A 78 0.006 5.257 -5.734 1.00 1.00 O ATOM 1253 CB VAL A 78 3.340 5.238 -5.561 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.833 6.039 -4.355 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.492 4.318 -5.107 1.00 1.00 C ATOM 0 H VAL A 78 3.584 4.009 -7.702 1.00 1.00 H new ATOM 0 HA VAL A 78 1.901 3.640 -5.444 1.00 1.00 H new ATOM 0 HB VAL A 78 3.701 5.926 -6.325 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.651 6.626 -3.938 1.00 1.00 H new ATOM 0 HG12 VAL A 78 2.032 6.707 -4.672 1.00 1.00 H new ATOM 0 HG13 VAL A 78 2.455 5.354 -3.596 1.00 1.00 H new ATOM 0 HG21 VAL A 78 5.293 4.922 -4.681 1.00 1.00 H new ATOM 0 HG22 VAL A 78 4.125 3.619 -4.355 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.873 3.762 -5.964 1.00 1.00 H new ATOM 1265 N TRP A 79 1.078 6.078 -7.530 1.00 1.00 N ATOM 1266 CA TRP A 79 -0.015 6.966 -7.898 1.00 1.00 C ATOM 1267 C TRP A 79 -1.247 6.156 -8.291 1.00 1.00 C ATOM 1268 O TRP A 79 -2.358 6.438 -7.842 1.00 1.00 O ATOM 1269 CB TRP A 79 0.416 7.878 -9.067 1.00 1.00 C ATOM 1270 CG TRP A 79 1.343 8.953 -8.574 1.00 1.00 C ATOM 1271 CD1 TRP A 79 2.641 9.095 -8.929 1.00 1.00 C ATOM 1272 CD2 TRP A 79 1.054 10.037 -7.646 1.00 1.00 C ATOM 1273 NE1 TRP A 79 3.166 10.197 -8.279 1.00 1.00 N ATOM 1274 CE2 TRP A 79 2.226 10.811 -7.475 1.00 1.00 C ATOM 1275 CE3 TRP A 79 -0.101 10.418 -6.942 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 2.248 11.926 -6.635 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 -0.082 11.537 -6.095 1.00 1.00 C ATOM 1278 CH2 TRP A 79 1.090 12.289 -5.943 1.00 1.00 C ATOM 0 H TRP A 79 1.886 6.121 -8.151 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.266 7.587 -7.038 1.00 1.00 H new ATOM 0 HB2 TRP A 79 0.911 7.285 -9.836 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.462 8.329 -9.529 1.00 1.00 H new ATOM 0 HD1 TRP A 79 3.180 8.452 -9.609 1.00 1.00 H new ATOM 0 HE1 TRP A 79 4.129 10.517 -8.381 1.00 1.00 H new ATOM 0 HE3 TRP A 79 -1.010 9.846 -7.054 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 3.153 12.504 -6.521 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 -0.975 11.820 -5.558 1.00 1.00 H new ATOM 0 HH2 TRP A 79 1.098 13.150 -5.291 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.058 5.143 -9.130 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.165 4.304 -9.567 1.00 1.00 C ATOM 1291 C ALA A 80 -2.822 3.609 -8.377 1.00 1.00 C ATOM 1292 O ALA A 80 -4.045 3.598 -8.255 1.00 1.00 O ATOM 1293 CB ALA A 80 -1.656 3.256 -10.559 1.00 1.00 C ATOM 0 H ALA A 80 -0.151 4.885 -9.519 1.00 1.00 H new ATOM 0 HA ALA A 80 -2.909 4.937 -10.051 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.486 2.629 -10.884 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.218 3.755 -11.423 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -0.901 2.635 -10.077 1.00 1.00 H new ATOM 1299 N ALA A 81 -1.995 3.035 -7.510 1.00 1.00 N ATOM 1300 CA ALA A 81 -2.509 2.339 -6.334 1.00 1.00 C ATOM 1301 C ALA A 81 -3.313 3.291 -5.451 1.00 1.00 C ATOM 1302 O ALA A 81 -4.397 2.947 -4.979 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.354 1.753 -5.523 1.00 1.00 C ATOM 0 H ALA A 81 -0.979 3.037 -7.596 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.161 1.535 -6.674 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -1.749 1.236 -4.648 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -0.797 1.048 -6.140 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -0.691 2.556 -5.201 1.00 1.00 H new ATOM 1309 N LYS A 82 -2.774 4.485 -5.232 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.443 5.479 -4.399 1.00 1.00 C ATOM 1311 C LYS A 82 -4.794 5.857 -5.009 1.00 1.00 C ATOM 1312 O LYS A 82 -5.765 6.094 -4.291 1.00 1.00 O ATOM 1313 CB LYS A 82 -2.555 6.723 -4.266 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.140 7.682 -3.217 1.00 1.00 C ATOM 1315 CD LYS A 82 -2.301 8.966 -3.167 1.00 1.00 C ATOM 1316 CE LYS A 82 -2.838 9.923 -2.086 1.00 1.00 C ATOM 1317 NZ LYS A 82 -2.245 9.556 -0.773 1.00 1.00 N ATOM 0 H LYS A 82 -1.880 4.788 -5.617 1.00 1.00 H new ATOM 0 HA LYS A 82 -3.616 5.057 -3.409 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -1.546 6.429 -3.978 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -2.478 7.228 -5.229 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.174 7.921 -3.465 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -3.149 7.204 -2.238 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -1.260 8.719 -2.957 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -2.322 9.458 -4.139 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -2.586 10.953 -2.337 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -3.925 9.863 -2.037 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -2.480 10.285 -0.070 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -2.628 8.640 -0.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -1.212 9.486 -0.866 1.00 1.00 H new ATOM 1331 N ALA A 83 -4.853 5.907 -6.336 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.095 6.255 -7.024 1.00 1.00 C ATOM 1333 C ALA A 83 -7.229 5.337 -6.580 1.00 1.00 C ATOM 1334 O ALA A 83 -8.319 5.806 -6.252 1.00 1.00 O ATOM 1335 CB ALA A 83 -5.905 6.135 -8.542 1.00 1.00 C ATOM 0 H ALA A 83 -4.064 5.713 -6.953 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.352 7.283 -6.769 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -6.835 6.396 -9.047 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.115 6.813 -8.864 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -5.630 5.111 -8.794 1.00 1.00 H new ATOM 1341 N ASP A 84 -6.963 4.035 -6.569 1.00 1.00 N ATOM 1342 CA ASP A 84 -7.970 3.062 -6.159 1.00 1.00 C ATOM 1343 C ASP A 84 -8.538 3.432 -4.791 1.00 1.00 C ATOM 1344 O ASP A 84 -9.746 3.353 -4.570 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.354 1.660 -6.099 1.00 1.00 C ATOM 1346 CG ASP A 84 -8.449 0.610 -5.933 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -9.327 0.559 -6.779 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -8.394 -0.128 -4.963 1.00 1.00 O ATOM 0 H ASP A 84 -6.066 3.631 -6.837 1.00 1.00 H new ATOM 0 HA ASP A 84 -8.777 3.068 -6.892 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.788 1.464 -7.009 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -6.652 1.599 -5.267 1.00 1.00 H new ATOM 1353 N ALA A 85 -7.664 3.841 -3.876 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.095 4.226 -2.536 1.00 1.00 C ATOM 1355 C ALA A 85 -8.965 5.477 -2.589 1.00 1.00 C ATOM 1356 O ALA A 85 -9.939 5.603 -1.848 1.00 1.00 O ATOM 1357 CB ALA A 85 -6.874 4.480 -1.648 1.00 1.00 C ATOM 0 H ALA A 85 -6.659 3.914 -4.036 1.00 1.00 H new ATOM 0 HA ALA A 85 -8.684 3.411 -2.115 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.204 4.767 -0.649 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.275 3.572 -1.585 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.273 5.282 -2.076 1.00 1.00 H new ATOM 1363 N LEU A 86 -8.607 6.402 -3.474 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.358 7.646 -3.622 1.00 1.00 C ATOM 1365 C LEU A 86 -10.675 7.391 -4.350 1.00 1.00 C ATOM 1366 O LEU A 86 -11.629 8.157 -4.216 1.00 1.00 O ATOM 1367 CB LEU A 86 -8.517 8.657 -4.406 1.00 1.00 C ATOM 1368 CG LEU A 86 -7.228 8.993 -3.626 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -6.278 9.775 -4.539 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -7.543 9.834 -2.365 1.00 1.00 C ATOM 0 H LEU A 86 -7.805 6.315 -4.098 1.00 1.00 H new ATOM 0 HA LEU A 86 -9.582 8.045 -2.633 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.263 8.250 -5.385 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.094 9.565 -4.579 1.00 1.00 H new ATOM 0 HG LEU A 86 -6.762 8.061 -3.306 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -5.365 10.016 -3.994 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -6.031 9.170 -5.411 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -6.761 10.697 -4.862 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -6.617 10.056 -1.835 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -8.025 10.766 -2.660 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.210 9.273 -1.711 1.00 1.00 H new ATOM 1382 N ARG A 87 -10.717 6.305 -5.118 1.00 1.00 N ATOM 1383 CA ARG A 87 -11.922 5.962 -5.866 1.00 1.00 C ATOM 1384 C ARG A 87 -13.054 5.587 -4.927 1.00 1.00 C ATOM 1385 O ARG A 87 -14.223 5.622 -5.312 1.00 1.00 O ATOM 1386 CB ARG A 87 -11.623 4.808 -6.825 1.00 1.00 C ATOM 1387 CG ARG A 87 -12.839 4.553 -7.725 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.474 3.540 -8.813 1.00 1.00 C ATOM 1389 NE ARG A 87 -12.281 2.217 -8.231 1.00 1.00 N ATOM 1390 CZ ARG A 87 -11.865 1.195 -8.971 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -11.624 1.366 -10.241 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -11.707 0.019 -8.428 1.00 1.00 N ATOM 0 H ARG A 87 -9.940 5.655 -5.238 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.235 6.834 -6.440 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -10.751 5.046 -7.435 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.381 3.907 -6.261 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -13.671 4.177 -7.130 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.169 5.487 -8.180 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -13.263 3.503 -9.564 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -11.564 3.856 -9.323 1.00 1.00 H new ATOM 0 HE ARG A 87 -12.469 2.074 -7.239 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.755 2.284 -10.666 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -11.305 0.582 -10.810 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -11.903 -0.115 -7.436 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -11.388 -0.766 -8.996 1.00 1.00 H new ATOM 1406 N TYR A 88 -12.698 5.227 -3.698 1.00 1.00 N ATOM 1407 CA TYR A 88 -13.686 4.842 -2.685 1.00 1.00 C ATOM 1408 C TYR A 88 -13.446 5.598 -1.381 1.00 1.00 C ATOM 1409 O TYR A 88 -13.234 4.992 -0.331 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.611 3.316 -2.446 1.00 1.00 C ATOM 1411 CG TYR A 88 -14.966 2.801 -2.005 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.908 2.401 -2.963 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -15.283 2.741 -0.646 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -17.165 1.937 -2.556 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -16.537 2.279 -0.239 1.00 1.00 C ATOM 1416 CZ TYR A 88 -17.477 1.877 -1.193 1.00 1.00 C ATOM 1417 OH TYR A 88 -18.713 1.418 -0.789 1.00 1.00 O ATOM 0 H TYR A 88 -11.731 5.192 -3.375 1.00 1.00 H new ATOM 0 HA TYR A 88 -14.682 5.101 -3.045 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -13.299 2.810 -3.360 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -12.862 3.094 -1.686 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -15.665 2.451 -4.014 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -14.558 3.052 0.091 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -17.892 1.626 -3.292 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -16.780 2.232 0.812 1.00 1.00 H new ATOM 0 HH TYR A 88 -18.766 1.440 0.189 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.473 6.925 -1.439 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.260 7.771 -0.259 1.00 1.00 C ATOM 1429 C ILE A 89 -14.400 8.773 -0.110 1.00 1.00 C ATOM 1430 O ILE A 89 -14.832 9.394 -1.082 1.00 1.00 O ATOM 1431 CB ILE A 89 -11.916 8.522 -0.389 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -11.520 9.115 0.980 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -12.033 9.655 -1.429 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.056 9.544 0.954 1.00 1.00 C ATOM 0 H ILE A 89 -13.642 7.447 -2.299 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.234 7.136 0.627 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.151 7.819 -0.719 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.155 9.970 1.214 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -11.678 8.376 1.766 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -11.078 10.175 -1.510 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -12.299 9.233 -2.398 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -12.804 10.359 -1.115 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -9.782 9.962 1.923 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.427 8.680 0.741 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -9.911 10.298 0.180 1.00 1.00 H new ATOM 1446 N GLU A 90 -14.891 8.940 1.114 1.00 1.00 N ATOM 1447 CA GLU A 90 -15.972 9.876 1.376 1.00 1.00 C ATOM 1448 C GLU A 90 -17.180 9.558 0.497 1.00 1.00 C ATOM 1449 O GLU A 90 -18.105 8.866 0.923 1.00 1.00 O ATOM 1450 CB GLU A 90 -15.492 11.313 1.128 1.00 1.00 C ATOM 1451 CG GLU A 90 -16.586 12.303 1.542 1.00 1.00 C ATOM 1452 CD GLU A 90 -16.114 13.735 1.315 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -15.637 14.014 0.228 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -16.237 14.530 2.232 1.00 1.00 O ATOM 0 H GLU A 90 -14.556 8.439 1.937 1.00 1.00 H new ATOM 0 HA GLU A 90 -16.274 9.781 2.419 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -14.581 11.505 1.695 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -15.246 11.448 0.075 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -17.493 12.116 0.967 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -16.839 12.158 2.592 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.476 14.400 -7.309 1.00 1.00 N ATOM 1506 CA VAL A 94 -13.728 14.427 -8.560 1.00 1.00 C ATOM 1507 C VAL A 94 -12.246 14.180 -8.295 1.00 1.00 C ATOM 1508 O VAL A 94 -11.454 14.095 -9.235 1.00 1.00 O ATOM 1509 CB VAL A 94 -13.914 15.778 -9.254 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -15.399 15.990 -9.565 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -13.419 16.902 -8.341 1.00 1.00 C ATOM 0 HA VAL A 94 -14.106 13.638 -9.210 1.00 1.00 H new ATOM 0 HB VAL A 94 -13.340 15.789 -10.181 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -15.533 16.952 -10.059 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -15.751 15.193 -10.220 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -15.971 15.976 -8.637 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -13.554 17.862 -8.840 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -13.988 16.893 -7.412 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -12.362 16.753 -8.121 1.00 1.00 H new ATOM 1521 N GLU A 95 -11.871 14.067 -7.027 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.472 13.833 -6.670 1.00 1.00 C ATOM 1523 C GLU A 95 -9.960 12.548 -7.316 1.00 1.00 C ATOM 1524 O GLU A 95 -8.890 12.530 -7.923 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.330 13.740 -5.135 1.00 1.00 C ATOM 1526 CG GLU A 95 -10.419 15.141 -4.510 1.00 1.00 C ATOM 1527 CD GLU A 95 -10.417 15.031 -2.987 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -10.271 13.925 -2.491 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -10.565 16.054 -2.341 1.00 1.00 O ATOM 0 H GLU A 95 -12.508 14.132 -6.233 1.00 1.00 H new ATOM 0 HA GLU A 95 -9.876 14.668 -7.038 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.114 13.101 -4.728 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.377 13.278 -4.878 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -9.578 15.750 -4.841 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -11.327 15.642 -4.846 1.00 1.00 H new ATOM 1536 N ALA A 96 -10.728 11.471 -7.186 1.00 1.00 N ATOM 1537 CA ALA A 96 -10.329 10.193 -7.764 1.00 1.00 C ATOM 1538 C ALA A 96 -10.068 10.330 -9.263 1.00 1.00 C ATOM 1539 O ALA A 96 -9.282 9.575 -9.834 1.00 1.00 O ATOM 1540 CB ALA A 96 -11.428 9.158 -7.535 1.00 1.00 C ATOM 0 H ALA A 96 -11.620 11.457 -6.692 1.00 1.00 H new ATOM 0 HA ALA A 96 -9.409 9.870 -7.277 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -11.126 8.205 -7.968 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -11.594 9.034 -6.465 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -12.350 9.496 -8.008 1.00 1.00 H new ATOM 1546 N GLU A 97 -10.732 11.296 -9.890 1.00 1.00 N ATOM 1547 CA GLU A 97 -10.559 11.508 -11.326 1.00 1.00 C ATOM 1548 C GLU A 97 -9.150 12.012 -11.628 1.00 1.00 C ATOM 1549 O GLU A 97 -8.482 11.524 -12.539 1.00 1.00 O ATOM 1550 CB GLU A 97 -11.594 12.520 -11.832 1.00 1.00 C ATOM 1551 CG GLU A 97 -11.581 12.583 -13.360 1.00 1.00 C ATOM 1552 CD GLU A 97 -12.656 13.555 -13.843 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.203 14.268 -13.015 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -12.915 13.576 -15.035 1.00 1.00 O ATOM 0 H GLU A 97 -11.385 11.936 -9.437 1.00 1.00 H new ATOM 0 HA GLU A 97 -10.705 10.557 -11.838 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -12.587 12.238 -11.482 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -11.379 13.506 -11.420 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -10.601 12.905 -13.712 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -11.760 11.592 -13.776 1.00 1.00 H new ATOM 1561 N ILE A 98 -8.700 12.998 -10.859 1.00 1.00 N ATOM 1562 CA ILE A 98 -7.367 13.561 -11.059 1.00 1.00 C ATOM 1563 C ILE A 98 -6.306 12.484 -10.856 1.00 1.00 C ATOM 1564 O ILE A 98 -5.368 12.377 -11.647 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.134 14.735 -10.068 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -7.815 16.017 -10.592 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -5.626 15.004 -9.870 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -9.334 15.854 -10.581 1.00 1.00 C ATOM 0 H ILE A 98 -9.232 13.421 -10.098 1.00 1.00 H new ATOM 0 HA ILE A 98 -7.292 13.938 -12.079 1.00 1.00 H new ATOM 0 HB ILE A 98 -7.569 14.453 -9.109 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -7.529 16.867 -9.973 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -7.473 16.231 -11.605 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -5.492 15.830 -9.172 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.146 14.110 -9.471 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -5.174 15.261 -10.828 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.801 16.766 -10.953 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.615 15.016 -11.219 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -9.672 15.663 -9.562 1.00 1.00 H new ATOM 1580 N ALA A 99 -6.452 11.688 -9.802 1.00 1.00 N ATOM 1581 CA ALA A 99 -5.480 10.644 -9.524 1.00 1.00 C ATOM 1582 C ALA A 99 -5.518 9.571 -10.603 1.00 1.00 C ATOM 1583 O ALA A 99 -4.477 9.162 -11.115 1.00 1.00 O ATOM 1584 CB ALA A 99 -5.773 10.029 -8.154 1.00 1.00 C ATOM 0 H ALA A 99 -7.223 11.746 -9.137 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.482 11.082 -9.519 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.045 9.246 -7.944 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -5.707 10.801 -7.387 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -6.776 9.602 -8.154 1.00 1.00 H new ATOM 1590 N GLU A 100 -6.730 9.131 -10.929 1.00 1.00 N ATOM 1591 CA GLU A 100 -6.890 8.102 -11.945 1.00 1.00 C ATOM 1592 C GLU A 100 -6.297 8.566 -13.276 1.00 1.00 C ATOM 1593 O GLU A 100 -5.570 7.818 -13.929 1.00 1.00 O ATOM 1594 CB GLU A 100 -8.378 7.778 -12.132 1.00 1.00 C ATOM 1595 CG GLU A 100 -8.534 6.505 -12.976 1.00 1.00 C ATOM 1596 CD GLU A 100 -8.117 5.281 -12.162 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -7.870 5.437 -10.976 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -8.048 4.208 -12.736 1.00 1.00 O ATOM 0 H GLU A 100 -7.599 9.465 -10.512 1.00 1.00 H new ATOM 0 HA GLU A 100 -6.362 7.207 -11.616 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -8.854 7.642 -11.161 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -8.882 8.612 -12.620 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -9.569 6.400 -13.301 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -7.923 6.579 -13.876 1.00 1.00 H new ATOM 1605 N ALA A 101 -6.613 9.796 -13.668 1.00 1.00 N ATOM 1606 CA ALA A 101 -6.104 10.340 -14.925 1.00 1.00 C ATOM 1607 C ALA A 101 -4.611 10.649 -14.818 1.00 1.00 C ATOM 1608 O ALA A 101 -3.842 10.377 -15.740 1.00 1.00 O ATOM 1609 CB ALA A 101 -6.868 11.615 -15.291 1.00 1.00 C ATOM 0 H ALA A 101 -7.213 10.431 -13.141 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.250 9.592 -15.705 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.482 12.014 -16.229 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.928 11.385 -15.403 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.739 12.356 -14.502 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.208 11.222 -13.689 1.00 1.00 N ATOM 1616 CA ARG A 102 -2.806 11.567 -13.460 1.00 1.00 C ATOM 1617 C ARG A 102 -1.942 10.313 -13.443 1.00 1.00 C ATOM 1618 O ARG A 102 -0.826 10.304 -13.963 1.00 1.00 O ATOM 1619 CB ARG A 102 -2.652 12.335 -12.137 1.00 1.00 C ATOM 1620 CG ARG A 102 -1.174 12.682 -11.896 1.00 1.00 C ATOM 1621 CD ARG A 102 -1.058 13.650 -10.711 1.00 1.00 C ATOM 1622 NE ARG A 102 -1.494 13.009 -9.476 1.00 1.00 N ATOM 1623 CZ ARG A 102 -1.681 13.719 -8.368 1.00 1.00 C ATOM 1624 NH1 ARG A 102 -1.469 15.007 -8.373 1.00 1.00 N ATOM 1625 NH2 ARG A 102 -2.067 13.130 -7.272 1.00 1.00 N ATOM 0 H ARG A 102 -4.831 11.458 -12.917 1.00 1.00 H new ATOM 0 HA ARG A 102 -2.473 12.207 -14.277 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.248 13.247 -12.166 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -3.031 11.733 -11.312 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -0.605 11.774 -11.694 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -0.746 13.134 -12.791 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -0.026 13.984 -10.608 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -1.663 14.537 -10.899 1.00 1.00 H new ATOM 0 HE ARG A 102 -1.658 12.002 -9.462 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -1.160 15.470 -9.228 1.00 1.00 H new ATOM 0 HH12 ARG A 102 -1.613 15.551 -7.522 1.00 1.00 H new ATOM 0 HH21 ARG A 102 -2.226 12.123 -7.263 1.00 1.00 H new ATOM 0 HH22 ARG A 102 -2.210 13.676 -6.423 1.00 1.00 H new ATOM 1639 N ALA A 103 -2.451 9.243 -12.840 1.00 1.00 N ATOM 1640 CA ALA A 103 -1.700 7.995 -12.759 1.00 1.00 C ATOM 1641 C ALA A 103 -1.332 7.486 -14.150 1.00 1.00 C ATOM 1642 O ALA A 103 -0.179 7.141 -14.404 1.00 1.00 O ATOM 1643 CB ALA A 103 -2.541 6.941 -12.040 1.00 1.00 C ATOM 0 H ALA A 103 -3.373 9.214 -12.404 1.00 1.00 H new ATOM 0 HA ALA A 103 -0.780 8.182 -12.205 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -1.981 6.008 -11.979 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -2.778 7.288 -11.034 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -3.465 6.774 -12.593 1.00 1.00 H new ATOM 1649 N LYS A 104 -2.319 7.446 -15.041 1.00 1.00 N ATOM 1650 CA LYS A 104 -2.096 6.980 -16.406 1.00 1.00 C ATOM 1651 C LYS A 104 -1.202 7.950 -17.169 1.00 1.00 C ATOM 1652 O LYS A 104 -0.286 7.542 -17.882 1.00 1.00 O ATOM 1653 CB LYS A 104 -3.441 6.836 -17.129 1.00 1.00 C ATOM 1654 CG LYS A 104 -4.243 5.684 -16.507 1.00 1.00 C ATOM 1655 CD LYS A 104 -5.584 5.528 -17.236 1.00 1.00 C ATOM 1656 CE LYS A 104 -6.350 4.342 -16.643 1.00 1.00 C ATOM 1657 NZ LYS A 104 -6.658 4.617 -15.213 1.00 1.00 N ATOM 0 H LYS A 104 -3.278 7.730 -14.843 1.00 1.00 H new ATOM 0 HA LYS A 104 -1.598 6.011 -16.365 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -4.005 7.766 -17.056 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -3.276 6.646 -18.190 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -3.674 4.757 -16.572 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -4.415 5.879 -15.449 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -6.172 6.441 -17.138 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -5.415 5.370 -18.301 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -7.272 4.176 -17.200 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -5.757 3.432 -16.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -6.074 4.005 -14.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -6.452 5.614 -14.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -7.664 4.425 -15.031 1.00 1.00 H new ATOM 1671 N LEU A 105 -1.486 9.239 -17.013 1.00 1.00 N ATOM 1672 CA LEU A 105 -0.709 10.267 -17.698 1.00 1.00 C ATOM 1673 C LEU A 105 -0.601 9.941 -19.190 1.00 1.00 C ATOM 1674 O LEU A 105 0.254 9.161 -19.608 1.00 1.00 O ATOM 1675 CB LEU A 105 0.695 10.362 -17.065 1.00 1.00 C ATOM 1676 CG LEU A 105 1.561 11.414 -17.794 1.00 1.00 C ATOM 1677 CD1 LEU A 105 0.879 12.796 -17.737 1.00 1.00 C ATOM 1678 CD2 LEU A 105 2.944 11.493 -17.130 1.00 1.00 C ATOM 0 H LEU A 105 -2.240 9.595 -16.425 1.00 1.00 H new ATOM 0 HA LEU A 105 -1.212 11.228 -17.591 1.00 1.00 H new ATOM 0 HB2 LEU A 105 0.606 10.626 -16.011 1.00 1.00 H new ATOM 0 HB3 LEU A 105 1.184 9.389 -17.109 1.00 1.00 H new ATOM 0 HG LEU A 105 1.674 11.118 -18.837 1.00 1.00 H new ATOM 0 HD11 LEU A 105 1.498 13.529 -18.254 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -0.097 12.740 -18.220 1.00 1.00 H new ATOM 0 HD13 LEU A 105 0.753 13.097 -16.697 1.00 1.00 H new ATOM 0 HD21 LEU A 105 3.553 12.235 -17.646 1.00 1.00 H new ATOM 0 HD22 LEU A 105 2.830 11.780 -16.085 1.00 1.00 H new ATOM 0 HD23 LEU A 105 3.432 10.520 -17.188 1.00 1.00 H new