USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.7!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.146) USER MOD Single : A 28 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.5!) USER MOD Single : A 29 TYR OH : rot -60:sc= -4.12! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.83! X(o=-2.8!,f=-2.9) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.494 K(o=-0.49,f=-4.2!) USER MOD Single : A 53 THR OG1 : rot -71:sc= 0.718 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00216 USER MOD Single : A 57 CYS SG : rot -62:sc= -8.41! USER MOD Single : A 59 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.8!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 65 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.6) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 69 GLN : amide:sc= -2.72! C(o=-2.7!,f=-11!) USER MOD Single : A 70 THR OG1 : rot 65:sc= 0.495 USER MOD Single : A 72 SER OG : rot 180:sc= 0.339 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.71 K(o=-2.7,f=-5.8!) USER MOD Single : A 81 THR OG1 : rot 95:sc= 1.04 USER MOD Single : A 87 CYS SG : rot -43:sc= -5.89! USER MOD Single : A 89 HIS : no HE2:sc= -14.9! C(o=-15!,f=-15!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -156:sc= 0.469 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.098 7.266 -3.530 1.00 0.00 N ATOM 95 CA SER A 6 -6.024 6.651 -4.845 1.00 0.00 C ATOM 96 C SER A 6 -5.115 5.421 -4.796 1.00 0.00 C ATOM 97 O SER A 6 -4.061 5.398 -5.431 1.00 0.00 O ATOM 98 CB SER A 6 -5.515 7.645 -5.891 1.00 0.00 C ATOM 99 OG SER A 6 -6.583 8.341 -6.529 1.00 0.00 O ATOM 0 HA SER A 6 -7.028 6.343 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.848 8.363 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.929 7.114 -6.641 1.00 0.00 H new ATOM 0 HG SER A 6 -6.218 8.967 -7.189 1.00 0.00 H new ATOM 105 N VAL A 7 -5.556 4.428 -4.038 1.00 0.00 N ATOM 106 CA VAL A 7 -4.796 3.198 -3.898 1.00 0.00 C ATOM 107 C VAL A 7 -5.759 2.009 -3.871 1.00 0.00 C ATOM 108 O VAL A 7 -5.958 1.344 -4.886 1.00 0.00 O ATOM 109 CB VAL A 7 -3.902 3.272 -2.658 1.00 0.00 C ATOM 110 CG1 VAL A 7 -3.584 1.873 -2.127 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.619 4.052 -2.953 1.00 0.00 C ATOM 0 H VAL A 7 -6.431 4.450 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.133 3.060 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.449 3.808 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.947 1.954 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.511 1.366 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.067 1.301 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.002 4.090 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.068 3.557 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.873 5.066 -3.262 1.00 0.00 H new ATOM 121 N LEU A 8 -6.329 1.777 -2.697 1.00 0.00 N ATOM 122 CA LEU A 8 -7.266 0.680 -2.524 1.00 0.00 C ATOM 123 C LEU A 8 -8.629 1.239 -2.113 1.00 0.00 C ATOM 124 O LEU A 8 -8.707 2.293 -1.483 1.00 0.00 O ATOM 125 CB LEU A 8 -6.705 -0.354 -1.547 1.00 0.00 C ATOM 126 CG LEU A 8 -5.386 -1.015 -1.953 1.00 0.00 C ATOM 127 CD1 LEU A 8 -4.448 -1.152 -0.752 1.00 0.00 C ATOM 128 CD2 LEU A 8 -5.636 -2.359 -2.641 1.00 0.00 C ATOM 0 H LEU A 8 -6.160 2.330 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.410 0.150 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.564 0.129 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.452 -1.135 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.889 -0.369 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.518 -1.625 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.232 -0.164 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.924 -1.765 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.683 -2.808 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.165 -3.024 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.239 -2.203 -3.536 1.00 0.00 H new ATOM 140 N SER A 9 -9.669 0.509 -2.486 1.00 0.00 N ATOM 141 CA SER A 9 -11.026 0.919 -2.164 1.00 0.00 C ATOM 142 C SER A 9 -11.278 0.759 -0.664 1.00 0.00 C ATOM 143 O SER A 9 -10.365 0.427 0.091 1.00 0.00 O ATOM 144 CB SER A 9 -12.050 0.112 -2.964 1.00 0.00 C ATOM 145 OG SER A 9 -13.281 0.813 -3.117 1.00 0.00 O ATOM 0 H SER A 9 -9.600 -0.364 -3.008 1.00 0.00 H new ATOM 0 HA SER A 9 -11.140 1.969 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.640 -0.120 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.234 -0.838 -2.463 1.00 0.00 H new ATOM 0 HG SER A 9 -13.907 0.265 -3.635 1.00 0.00 H new ATOM 151 N GLY A 10 -12.521 1.003 -0.276 1.00 0.00 N ATOM 152 CA GLY A 10 -12.906 0.889 1.121 1.00 0.00 C ATOM 153 C GLY A 10 -12.634 -0.519 1.651 1.00 0.00 C ATOM 154 O GLY A 10 -11.897 -0.690 2.621 1.00 0.00 O ATOM 0 H GLY A 10 -13.275 1.279 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.354 1.618 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.965 1.125 1.231 1.00 0.00 H new ATOM 158 N GLY A 11 -13.245 -1.494 0.993 1.00 0.00 N ATOM 159 CA GLY A 11 -13.078 -2.882 1.386 1.00 0.00 C ATOM 160 C GLY A 11 -11.622 -3.324 1.235 1.00 0.00 C ATOM 161 O GLY A 11 -11.071 -3.975 2.123 1.00 0.00 O ATOM 0 H GLY A 11 -13.857 -1.349 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.395 -3.011 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.719 -3.516 0.774 1.00 0.00 H new ATOM 165 N GLU A 12 -11.038 -2.952 0.105 1.00 0.00 N ATOM 166 CA GLU A 12 -9.656 -3.303 -0.173 1.00 0.00 C ATOM 167 C GLU A 12 -8.732 -2.697 0.885 1.00 0.00 C ATOM 168 O GLU A 12 -7.685 -3.264 1.198 1.00 0.00 O ATOM 169 CB GLU A 12 -9.248 -2.853 -1.578 1.00 0.00 C ATOM 170 CG GLU A 12 -9.988 -3.661 -2.648 1.00 0.00 C ATOM 171 CD GLU A 12 -11.237 -2.918 -3.128 1.00 0.00 C ATOM 172 OE1 GLU A 12 -12.271 -3.038 -2.436 1.00 0.00 O ATOM 173 OE2 GLU A 12 -11.130 -2.248 -4.178 1.00 0.00 O ATOM 0 H GLU A 12 -11.497 -2.411 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.562 -4.388 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.466 -1.792 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.172 -2.974 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.324 -3.848 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.271 -4.633 -2.244 1.00 0.00 H new ATOM 180 N LEU A 13 -9.150 -1.553 1.407 1.00 0.00 N ATOM 181 CA LEU A 13 -8.373 -0.865 2.423 1.00 0.00 C ATOM 182 C LEU A 13 -8.478 -1.630 3.744 1.00 0.00 C ATOM 183 O LEU A 13 -7.474 -1.841 4.424 1.00 0.00 O ATOM 184 CB LEU A 13 -8.803 0.600 2.525 1.00 0.00 C ATOM 185 CG LEU A 13 -7.979 1.599 1.710 1.00 0.00 C ATOM 186 CD1 LEU A 13 -8.843 2.772 1.245 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.752 2.067 2.495 1.00 0.00 C ATOM 0 H LEU A 13 -10.018 -1.085 1.145 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.318 -0.846 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.844 0.675 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.765 0.897 3.573 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.615 1.093 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.233 3.467 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.657 2.400 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.256 3.286 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.184 2.776 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.073 2.550 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.124 1.209 2.734 1.00 0.00 H new ATOM 199 N ASP A 14 -9.701 -2.025 4.067 1.00 0.00 N ATOM 200 CA ASP A 14 -9.949 -2.761 5.295 1.00 0.00 C ATOM 201 C ASP A 14 -9.188 -4.088 5.251 1.00 0.00 C ATOM 202 O ASP A 14 -8.543 -4.471 6.226 1.00 0.00 O ATOM 203 CB ASP A 14 -11.438 -3.075 5.457 1.00 0.00 C ATOM 204 CG ASP A 14 -11.861 -3.491 6.867 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.141 -3.102 7.813 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.895 -4.186 6.968 1.00 0.00 O ATOM 0 H ASP A 14 -10.530 -1.849 3.500 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.617 -2.145 6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.013 -2.196 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.703 -3.873 4.764 1.00 0.00 H new ATOM 211 N LYS A 15 -9.288 -4.753 4.109 1.00 0.00 N ATOM 212 CA LYS A 15 -8.617 -6.029 3.925 1.00 0.00 C ATOM 213 C LYS A 15 -7.108 -5.797 3.827 1.00 0.00 C ATOM 214 O LYS A 15 -6.318 -6.661 4.206 1.00 0.00 O ATOM 215 CB LYS A 15 -9.205 -6.775 2.725 1.00 0.00 C ATOM 216 CG LYS A 15 -9.963 -8.025 3.174 1.00 0.00 C ATOM 217 CD LYS A 15 -11.033 -8.413 2.152 1.00 0.00 C ATOM 218 CE LYS A 15 -12.437 -8.145 2.700 1.00 0.00 C ATOM 219 NZ LYS A 15 -13.401 -7.977 1.591 1.00 0.00 N ATOM 0 H LYS A 15 -9.823 -4.432 3.302 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.785 -6.676 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.877 -6.115 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.405 -7.057 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.264 -8.851 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.429 -7.844 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.884 -7.848 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.933 -9.468 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.749 -8.971 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.427 -7.249 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.349 -7.796 1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.111 -7.174 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.422 -8.843 1.015 1.00 0.00 H new ATOM 233 N TRP A 16 -6.753 -4.627 3.316 1.00 0.00 N ATOM 234 CA TRP A 16 -5.353 -4.272 3.164 1.00 0.00 C ATOM 235 C TRP A 16 -4.739 -4.160 4.560 1.00 0.00 C ATOM 236 O TRP A 16 -3.586 -4.540 4.767 1.00 0.00 O ATOM 237 CB TRP A 16 -5.199 -2.992 2.339 1.00 0.00 C ATOM 238 CG TRP A 16 -3.994 -2.137 2.736 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.957 -1.113 3.599 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.643 -2.275 2.247 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.688 -0.582 3.702 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.863 -1.311 2.853 1.00 0.00 C ATOM 243 CE3 TRP A 16 -2.098 -3.183 1.322 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.494 -1.164 2.601 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.729 -3.023 1.082 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.070 -2.058 1.684 1.00 0.00 C ATOM 0 H TRP A 16 -7.411 -3.913 3.002 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.818 -5.043 2.609 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.111 -3.259 1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -6.105 -2.395 2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.814 -0.749 4.146 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.407 0.201 4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.690 -3.944 0.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.095 -0.401 3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.260 -3.696 0.380 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.122 -1.998 1.445 1.00 0.00 H new ATOM 257 N GLU A 17 -5.534 -3.639 5.482 1.00 0.00 N ATOM 258 CA GLU A 17 -5.083 -3.473 6.853 1.00 0.00 C ATOM 259 C GLU A 17 -5.379 -4.735 7.666 1.00 0.00 C ATOM 260 O GLU A 17 -5.687 -4.654 8.854 1.00 0.00 O ATOM 261 CB GLU A 17 -5.725 -2.243 7.497 1.00 0.00 C ATOM 262 CG GLU A 17 -7.247 -2.388 7.558 1.00 0.00 C ATOM 263 CD GLU A 17 -7.873 -1.254 8.373 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.480 -0.094 8.127 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.732 -1.575 9.225 1.00 0.00 O ATOM 0 H GLU A 17 -6.489 -3.326 5.307 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.004 -3.315 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.328 -2.106 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.464 -1.351 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.657 -2.384 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.507 -3.348 8.004 1.00 0.00 H new ATOM 272 N LYS A 18 -5.277 -5.871 6.993 1.00 0.00 N ATOM 273 CA LYS A 18 -5.531 -7.149 7.638 1.00 0.00 C ATOM 274 C LYS A 18 -4.248 -7.985 7.625 1.00 0.00 C ATOM 275 O LYS A 18 -4.187 -9.042 8.250 1.00 0.00 O ATOM 276 CB LYS A 18 -6.727 -7.848 6.991 1.00 0.00 C ATOM 277 CG LYS A 18 -7.612 -8.511 8.048 1.00 0.00 C ATOM 278 CD LYS A 18 -9.091 -8.405 7.670 1.00 0.00 C ATOM 279 CE LYS A 18 -9.985 -8.570 8.900 1.00 0.00 C ATOM 280 NZ LYS A 18 -10.421 -9.977 9.039 1.00 0.00 N ATOM 0 H LYS A 18 -5.022 -5.934 6.007 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.806 -7.001 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.312 -7.125 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.375 -8.599 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.334 -9.560 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.445 -8.038 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.282 -7.438 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.337 -9.169 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.444 -8.261 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.856 -7.920 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.027 -10.071 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.955 -10.260 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.587 -10.590 9.143 1.00 0.00 H new ATOM 294 N ILE A 19 -3.258 -7.479 6.905 1.00 0.00 N ATOM 295 CA ILE A 19 -1.981 -8.166 6.803 1.00 0.00 C ATOM 296 C ILE A 19 -1.082 -7.738 7.964 1.00 0.00 C ATOM 297 O ILE A 19 -1.040 -6.562 8.322 1.00 0.00 O ATOM 298 CB ILE A 19 -1.358 -7.935 5.425 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.375 -8.195 4.313 1.00 0.00 C ATOM 300 CG2 ILE A 19 -0.089 -8.772 5.251 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.948 -6.882 3.774 1.00 0.00 C ATOM 0 H ILE A 19 -3.314 -6.602 6.387 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.120 -9.244 6.888 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.065 -6.888 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.900 -8.748 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.183 -8.819 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.335 -8.590 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.638 -8.494 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.334 -9.829 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.668 -7.096 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.444 -6.343 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.140 -6.270 3.372 1.00 0.00 H new ATOM 313 N ARG A 20 -0.384 -8.718 8.522 1.00 0.00 N ATOM 314 CA ARG A 20 0.511 -8.458 9.636 1.00 0.00 C ATOM 315 C ARG A 20 1.931 -8.197 9.127 1.00 0.00 C ATOM 316 O ARG A 20 2.313 -8.690 8.066 1.00 0.00 O ATOM 317 CB ARG A 20 0.535 -9.637 10.611 1.00 0.00 C ATOM 318 CG ARG A 20 -0.552 -9.488 11.677 1.00 0.00 C ATOM 319 CD ARG A 20 -0.217 -10.316 12.920 1.00 0.00 C ATOM 320 NE ARG A 20 -1.413 -10.443 13.781 1.00 0.00 N ATOM 321 CZ ARG A 20 -1.599 -11.428 14.670 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.667 -12.378 14.820 1.00 0.00 N ATOM 323 NH2 ARG A 20 -2.716 -11.464 15.409 1.00 0.00 N ATOM 0 H ARG A 20 -0.421 -9.692 8.223 1.00 0.00 H new ATOM 0 HA ARG A 20 0.141 -7.576 10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.388 -10.569 10.065 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.513 -9.698 11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.656 -8.438 11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.512 -9.807 11.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.135 -11.304 12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.592 -9.842 13.475 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.143 -9.736 13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.184 -12.351 14.258 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.808 -13.128 15.497 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.426 -10.741 15.295 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.856 -12.215 16.085 1.00 0.00 H new ATOM 337 N LEU A 21 2.672 -7.423 9.906 1.00 0.00 N ATOM 338 CA LEU A 21 4.041 -7.092 9.546 1.00 0.00 C ATOM 339 C LEU A 21 4.967 -8.230 9.979 1.00 0.00 C ATOM 340 O LEU A 21 5.925 -8.555 9.280 1.00 0.00 O ATOM 341 CB LEU A 21 4.430 -5.729 10.122 1.00 0.00 C ATOM 342 CG LEU A 21 3.419 -4.600 9.915 1.00 0.00 C ATOM 343 CD1 LEU A 21 3.825 -3.350 10.698 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.222 -4.305 8.427 1.00 0.00 C ATOM 0 H LEU A 21 2.351 -7.016 10.784 1.00 0.00 H new ATOM 0 HA LEU A 21 4.139 -6.996 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.601 -5.845 11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.378 -5.426 9.678 1.00 0.00 H new ATOM 0 HG LEU A 21 2.457 -4.928 10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.089 -2.563 10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.872 -3.586 11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.803 -3.010 10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.498 -3.498 8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.173 -4.007 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.854 -5.199 7.924 1.00 0.00 H new ATOM 356 N ARG A 22 4.648 -8.804 11.130 1.00 0.00 N ATOM 357 CA ARG A 22 5.440 -9.899 11.665 1.00 0.00 C ATOM 358 C ARG A 22 4.533 -11.062 12.070 1.00 0.00 C ATOM 359 O ARG A 22 3.370 -10.855 12.412 1.00 0.00 O ATOM 360 CB ARG A 22 6.255 -9.448 12.879 1.00 0.00 C ATOM 361 CG ARG A 22 7.527 -8.719 12.445 1.00 0.00 C ATOM 362 CD ARG A 22 8.016 -7.769 13.541 1.00 0.00 C ATOM 363 NE ARG A 22 8.743 -6.630 12.937 1.00 0.00 N ATOM 364 CZ ARG A 22 8.172 -5.706 12.152 1.00 0.00 C ATOM 365 NH1 ARG A 22 6.864 -5.781 11.871 1.00 0.00 N ATOM 366 NH2 ARG A 22 8.910 -4.708 11.648 1.00 0.00 N ATOM 0 H ARG A 22 3.852 -8.532 11.707 1.00 0.00 H new ATOM 0 HA ARG A 22 6.126 -10.225 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.650 -8.791 13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.517 -10.314 13.487 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.306 -9.446 12.214 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.335 -8.157 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.169 -7.404 14.121 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.669 -8.303 14.232 1.00 0.00 H new ATOM 0 HE ARG A 22 9.741 -6.543 13.130 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.303 -6.541 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.430 -5.078 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.906 -4.652 11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.476 -4.004 11.050 1.00 0.00 H new ATOM 380 N PRO A 23 5.114 -12.290 12.018 1.00 0.00 N ATOM 381 CA PRO A 23 4.370 -13.486 12.377 1.00 0.00 C ATOM 382 C PRO A 23 4.201 -13.592 13.894 1.00 0.00 C ATOM 383 O PRO A 23 3.163 -14.044 14.376 1.00 0.00 O ATOM 384 CB PRO A 23 5.168 -14.637 11.786 1.00 0.00 C ATOM 385 CG PRO A 23 6.560 -14.088 11.524 1.00 0.00 C ATOM 386 CD PRO A 23 6.489 -12.572 11.619 1.00 0.00 C ATOM 0 HA PRO A 23 3.352 -13.482 11.986 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.204 -15.481 12.475 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.710 -14.997 10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.269 -14.483 12.251 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.911 -14.393 10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.200 -12.187 12.350 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.728 -12.104 10.664 1.00 0.00 H new ATOM 394 N GLY A 24 5.236 -13.167 14.605 1.00 0.00 N ATOM 395 CA GLY A 24 5.214 -13.208 16.056 1.00 0.00 C ATOM 396 C GLY A 24 4.926 -11.823 16.640 1.00 0.00 C ATOM 397 O GLY A 24 4.792 -11.674 17.854 1.00 0.00 O ATOM 0 H GLY A 24 6.095 -12.793 14.202 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.454 -13.913 16.392 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.172 -13.571 16.428 1.00 0.00 H new ATOM 401 N GLY A 25 4.839 -10.847 15.749 1.00 0.00 N ATOM 402 CA GLY A 25 4.570 -9.480 16.161 1.00 0.00 C ATOM 403 C GLY A 25 3.065 -9.210 16.215 1.00 0.00 C ATOM 404 O GLY A 25 2.260 -10.134 16.095 1.00 0.00 O ATOM 0 H GLY A 25 4.950 -10.975 14.743 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.011 -9.298 17.141 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.043 -8.787 15.465 1.00 0.00 H new ATOM 408 N LYS A 26 2.728 -7.942 16.396 1.00 0.00 N ATOM 409 CA LYS A 26 1.334 -7.539 16.467 1.00 0.00 C ATOM 410 C LYS A 26 1.143 -6.238 15.686 1.00 0.00 C ATOM 411 O LYS A 26 0.527 -5.297 16.183 1.00 0.00 O ATOM 412 CB LYS A 26 0.875 -7.456 17.925 1.00 0.00 C ATOM 413 CG LYS A 26 1.627 -6.354 18.674 1.00 0.00 C ATOM 414 CD LYS A 26 0.819 -5.858 19.875 1.00 0.00 C ATOM 415 CE LYS A 26 1.339 -4.505 20.363 1.00 0.00 C ATOM 416 NZ LYS A 26 0.363 -3.875 21.282 1.00 0.00 N ATOM 0 H LYS A 26 3.397 -7.179 16.496 1.00 0.00 H new ATOM 0 HA LYS A 26 0.696 -8.288 15.998 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.197 -7.260 17.962 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.041 -8.414 18.418 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.592 -6.732 19.011 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.829 -5.523 17.999 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.232 -5.770 19.600 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.877 -6.587 20.683 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.294 -4.638 20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.521 -3.850 19.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.732 -2.957 21.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.539 -3.731 20.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.210 -4.494 22.104 1.00 0.00 H new ATOM 430 N LYS A 27 1.682 -6.227 14.477 1.00 0.00 N ATOM 431 CA LYS A 27 1.578 -5.056 13.622 1.00 0.00 C ATOM 432 C LYS A 27 0.835 -5.431 12.338 1.00 0.00 C ATOM 433 O LYS A 27 0.992 -6.540 11.828 1.00 0.00 O ATOM 434 CB LYS A 27 2.962 -4.448 13.376 1.00 0.00 C ATOM 435 CG LYS A 27 3.729 -4.284 14.690 1.00 0.00 C ATOM 436 CD LYS A 27 5.236 -4.197 14.436 1.00 0.00 C ATOM 437 CE LYS A 27 5.638 -2.786 13.999 1.00 0.00 C ATOM 438 NZ LYS A 27 6.830 -2.836 13.123 1.00 0.00 N ATOM 0 H LYS A 27 2.192 -7.010 14.068 1.00 0.00 H new ATOM 0 HA LYS A 27 0.994 -4.277 14.113 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.528 -5.086 12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.856 -3.479 12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.390 -3.384 15.204 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.515 -5.126 15.348 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.777 -4.469 15.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.521 -4.915 13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.810 -2.313 13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.849 -2.173 14.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.181 -1.871 12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.573 -3.402 13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.574 -3.270 12.213 1.00 0.00 H new ATOM 452 N GLN A 28 0.043 -4.486 11.854 1.00 0.00 N ATOM 453 CA GLN A 28 -0.725 -4.703 10.639 1.00 0.00 C ATOM 454 C GLN A 28 -0.612 -3.489 9.716 1.00 0.00 C ATOM 455 O GLN A 28 -0.190 -2.417 10.143 1.00 0.00 O ATOM 456 CB GLN A 28 -2.188 -5.011 10.964 1.00 0.00 C ATOM 457 CG GLN A 28 -2.870 -3.807 11.617 1.00 0.00 C ATOM 458 CD GLN A 28 -3.670 -4.231 12.850 1.00 0.00 C ATOM 459 OE1 GLN A 28 -3.493 -5.309 13.395 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.555 -3.327 13.259 1.00 0.00 N ATOM 0 H GLN A 28 -0.084 -3.568 12.281 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.312 -5.568 10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.718 -5.282 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.243 -5.871 11.632 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.119 -3.070 11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.532 -3.325 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.652 -2.445 12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.137 -3.516 14.075 1.00 0.00 H new ATOM 469 N TYR A 29 -0.996 -3.700 8.465 1.00 0.00 N ATOM 470 CA TYR A 29 -0.943 -2.636 7.476 1.00 0.00 C ATOM 471 C TYR A 29 -1.951 -1.532 7.805 1.00 0.00 C ATOM 472 O TYR A 29 -2.860 -1.736 8.606 1.00 0.00 O ATOM 473 CB TYR A 29 -1.328 -3.280 6.144 1.00 0.00 C ATOM 474 CG TYR A 29 -0.176 -4.010 5.449 1.00 0.00 C ATOM 475 CD1 TYR A 29 0.711 -4.762 6.192 1.00 0.00 C ATOM 476 CD2 TYR A 29 -0.023 -3.915 4.081 1.00 0.00 C ATOM 477 CE1 TYR A 29 1.796 -5.449 5.539 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.061 -4.603 3.428 1.00 0.00 C ATOM 479 CZ TYR A 29 1.918 -5.335 4.190 1.00 0.00 C ATOM 480 OH TYR A 29 2.941 -5.984 3.573 1.00 0.00 O ATOM 0 H TYR A 29 -1.345 -4.592 8.114 1.00 0.00 H new ATOM 0 HA TYR A 29 0.048 -2.184 7.451 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.141 -3.986 6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.711 -2.508 5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.592 -4.836 7.263 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.716 -3.325 3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.497 -6.041 6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.191 -4.539 2.358 1.00 0.00 H new ATOM 0 HH TYR A 29 3.795 -5.660 3.928 1.00 0.00 H new ATOM 490 N LYS A 30 -1.752 -0.386 7.169 1.00 0.00 N ATOM 491 CA LYS A 30 -2.632 0.750 7.385 1.00 0.00 C ATOM 492 C LYS A 30 -2.223 1.890 6.448 1.00 0.00 C ATOM 493 O LYS A 30 -1.206 1.800 5.762 1.00 0.00 O ATOM 494 CB LYS A 30 -2.647 1.144 8.862 1.00 0.00 C ATOM 495 CG LYS A 30 -1.234 1.446 9.364 1.00 0.00 C ATOM 496 CD LYS A 30 -1.007 0.850 10.755 1.00 0.00 C ATOM 497 CE LYS A 30 -0.837 1.952 11.803 1.00 0.00 C ATOM 498 NZ LYS A 30 -1.271 1.473 13.134 1.00 0.00 N ATOM 0 H LYS A 30 -0.995 -0.220 6.505 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.661 0.487 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.281 2.019 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.082 0.338 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.502 1.039 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.079 2.524 9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.851 0.214 11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.121 0.215 10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.206 2.264 11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.420 2.827 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.149 2.233 13.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.273 1.197 13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.697 0.652 13.412 1.00 0.00 H new ATOM 512 N LEU A 31 -3.037 2.935 6.450 1.00 0.00 N ATOM 513 CA LEU A 31 -2.773 4.091 5.610 1.00 0.00 C ATOM 514 C LEU A 31 -1.377 4.635 5.922 1.00 0.00 C ATOM 515 O LEU A 31 -0.774 5.319 5.096 1.00 0.00 O ATOM 516 CB LEU A 31 -3.886 5.130 5.763 1.00 0.00 C ATOM 517 CG LEU A 31 -4.331 5.829 4.477 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.178 6.618 3.854 1.00 0.00 C ATOM 519 CD2 LEU A 31 -4.939 4.829 3.493 1.00 0.00 C ATOM 0 H LEU A 31 -3.880 3.006 7.020 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.777 3.806 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.754 4.642 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.552 5.890 6.469 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.111 6.547 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.522 7.105 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.831 7.373 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.359 5.939 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.247 5.351 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.198 4.071 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.806 4.351 3.949 1.00 0.00 H new ATOM 531 N LYS A 32 -0.903 4.308 7.116 1.00 0.00 N ATOM 532 CA LYS A 32 0.411 4.756 7.547 1.00 0.00 C ATOM 533 C LYS A 32 1.480 4.106 6.667 1.00 0.00 C ATOM 534 O LYS A 32 2.407 4.774 6.215 1.00 0.00 O ATOM 535 CB LYS A 32 0.602 4.493 9.042 1.00 0.00 C ATOM 536 CG LYS A 32 1.615 5.468 9.645 1.00 0.00 C ATOM 537 CD LYS A 32 3.047 4.978 9.423 1.00 0.00 C ATOM 538 CE LYS A 32 4.003 5.594 10.446 1.00 0.00 C ATOM 539 NZ LYS A 32 5.198 4.739 10.619 1.00 0.00 N ATOM 0 H LYS A 32 -1.405 3.739 7.798 1.00 0.00 H new ATOM 0 HA LYS A 32 0.507 5.835 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.354 4.591 9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.943 3.469 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.490 6.453 9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.426 5.580 10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.079 3.891 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.371 5.237 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.305 6.589 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.493 5.715 11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.836 5.172 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.906 3.798 10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.692 4.645 9.709 1.00 0.00 H new ATOM 553 N HIS A 33 1.315 2.808 6.451 1.00 0.00 N ATOM 554 CA HIS A 33 2.255 2.061 5.634 1.00 0.00 C ATOM 555 C HIS A 33 2.091 2.462 4.166 1.00 0.00 C ATOM 556 O HIS A 33 3.069 2.522 3.423 1.00 0.00 O ATOM 557 CB HIS A 33 2.093 0.556 5.858 1.00 0.00 C ATOM 558 CG HIS A 33 2.575 0.080 7.208 1.00 0.00 C ATOM 559 ND1 HIS A 33 1.717 -0.374 8.193 1.00 0.00 N ATOM 560 CD2 HIS A 33 3.835 -0.006 7.724 1.00 0.00 C ATOM 561 CE1 HIS A 33 2.439 -0.716 9.251 1.00 0.00 C ATOM 562 NE2 HIS A 33 3.751 -0.487 8.958 1.00 0.00 N ATOM 0 H HIS A 33 0.545 2.256 6.828 1.00 0.00 H new ATOM 0 HA HIS A 33 3.275 2.307 5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.041 0.294 5.746 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.639 0.022 5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.746 0.270 7.215 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.055 -1.107 10.182 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.538 -0.657 9.584 1.00 0.00 H new ATOM 571 N ILE A 34 0.848 2.727 3.794 1.00 0.00 N ATOM 572 CA ILE A 34 0.543 3.120 2.429 1.00 0.00 C ATOM 573 C ILE A 34 1.131 4.507 2.159 1.00 0.00 C ATOM 574 O ILE A 34 1.560 4.797 1.044 1.00 0.00 O ATOM 575 CB ILE A 34 -0.962 3.030 2.168 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.393 1.579 1.946 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.372 3.935 1.005 1.00 0.00 C ATOM 578 CD1 ILE A 34 -2.841 1.507 1.454 1.00 0.00 C ATOM 0 H ILE A 34 0.040 2.677 4.414 1.00 0.00 H new ATOM 0 HA ILE A 34 1.007 2.432 1.722 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.485 3.389 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.734 1.107 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.293 1.020 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.446 3.852 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.120 4.969 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.842 3.630 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.123 0.465 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.500 1.958 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.932 2.047 0.512 1.00 0.00 H new ATOM 590 N VAL A 35 1.136 5.325 3.201 1.00 0.00 N ATOM 591 CA VAL A 35 1.665 6.674 3.091 1.00 0.00 C ATOM 592 C VAL A 35 3.190 6.612 2.979 1.00 0.00 C ATOM 593 O VAL A 35 3.787 7.326 2.176 1.00 0.00 O ATOM 594 CB VAL A 35 1.185 7.523 4.270 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.079 8.749 4.463 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.278 7.933 4.093 1.00 0.00 C ATOM 0 H VAL A 35 0.782 5.080 4.126 1.00 0.00 H new ATOM 0 HA VAL A 35 1.293 7.158 2.188 1.00 0.00 H new ATOM 0 HB VAL A 35 1.254 6.913 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.716 9.335 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.102 8.426 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.058 9.360 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.593 8.535 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.384 8.515 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.901 7.041 4.030 1.00 0.00 H new ATOM 606 N TRP A 36 3.776 5.750 3.798 1.00 0.00 N ATOM 607 CA TRP A 36 5.219 5.586 3.801 1.00 0.00 C ATOM 608 C TRP A 36 5.636 5.039 2.435 1.00 0.00 C ATOM 609 O TRP A 36 6.555 5.564 1.806 1.00 0.00 O ATOM 610 CB TRP A 36 5.666 4.695 4.963 1.00 0.00 C ATOM 611 CG TRP A 36 7.129 4.253 4.881 1.00 0.00 C ATOM 612 CD1 TRP A 36 8.225 4.980 5.136 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.613 2.946 4.507 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.376 4.239 4.954 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.991 2.964 4.560 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.908 1.787 4.138 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.784 1.850 4.255 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.715 0.684 3.836 1.00 0.00 C ATOM 619 CH2 TRP A 36 9.104 0.685 3.884 1.00 0.00 C ATOM 0 H TRP A 36 3.278 5.159 4.463 1.00 0.00 H new ATOM 0 HA TRP A 36 5.716 6.543 3.959 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.511 5.231 5.899 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.031 3.810 4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.210 6.015 5.445 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.333 4.568 5.085 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.830 1.751 4.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.862 1.889 4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.224 -0.233 3.545 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.656 -0.210 3.636 1.00 0.00 H new ATOM 630 N ALA A 37 4.941 3.993 2.014 1.00 0.00 N ATOM 631 CA ALA A 37 5.228 3.370 0.734 1.00 0.00 C ATOM 632 C ALA A 37 4.997 4.387 -0.386 1.00 0.00 C ATOM 633 O ALA A 37 5.801 4.491 -1.311 1.00 0.00 O ATOM 634 CB ALA A 37 4.365 2.117 0.570 1.00 0.00 C ATOM 0 H ALA A 37 4.179 3.561 2.537 1.00 0.00 H new ATOM 0 HA ALA A 37 6.271 3.056 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.581 1.650 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.587 1.414 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.311 2.393 0.611 1.00 0.00 H new ATOM 640 N SER A 38 3.895 5.112 -0.266 1.00 0.00 N ATOM 641 CA SER A 38 3.548 6.117 -1.256 1.00 0.00 C ATOM 642 C SER A 38 4.686 7.131 -1.393 1.00 0.00 C ATOM 643 O SER A 38 5.041 7.525 -2.503 1.00 0.00 O ATOM 644 CB SER A 38 2.244 6.828 -0.887 1.00 0.00 C ATOM 645 OG SER A 38 2.228 8.181 -1.336 1.00 0.00 O ATOM 0 H SER A 38 3.230 5.023 0.502 1.00 0.00 H new ATOM 0 HA SER A 38 3.398 5.617 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.402 6.291 -1.324 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.111 6.803 0.195 1.00 0.00 H new ATOM 0 HG SER A 38 1.379 8.600 -1.083 1.00 0.00 H new ATOM 651 N ARG A 39 5.225 7.525 -0.248 1.00 0.00 N ATOM 652 CA ARG A 39 6.315 8.485 -0.227 1.00 0.00 C ATOM 653 C ARG A 39 7.547 7.907 -0.924 1.00 0.00 C ATOM 654 O ARG A 39 8.210 8.598 -1.696 1.00 0.00 O ATOM 655 CB ARG A 39 6.682 8.868 1.208 1.00 0.00 C ATOM 656 CG ARG A 39 7.721 9.991 1.227 1.00 0.00 C ATOM 657 CD ARG A 39 8.289 10.190 2.634 1.00 0.00 C ATOM 658 NE ARG A 39 8.240 11.622 3.003 1.00 0.00 N ATOM 659 CZ ARG A 39 8.871 12.148 4.061 1.00 0.00 C ATOM 660 NH1 ARG A 39 9.602 11.363 4.862 1.00 0.00 N ATOM 661 NH2 ARG A 39 8.769 13.460 4.318 1.00 0.00 N ATOM 0 H ARG A 39 4.927 7.197 0.671 1.00 0.00 H new ATOM 0 HA ARG A 39 5.981 9.377 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.787 9.186 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.074 7.996 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.529 9.755 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.265 10.919 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.718 9.601 3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.317 9.831 2.674 1.00 0.00 H new ATOM 0 HE ARG A 39 7.691 12.248 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.678 10.365 4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.083 11.763 5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.211 14.057 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.249 13.861 5.124 1.00 0.00 H new ATOM 675 N GLU A 40 7.816 6.644 -0.629 1.00 0.00 N ATOM 676 CA GLU A 40 8.957 5.963 -1.219 1.00 0.00 C ATOM 677 C GLU A 40 8.859 5.987 -2.746 1.00 0.00 C ATOM 678 O GLU A 40 9.825 6.322 -3.428 1.00 0.00 O ATOM 679 CB GLU A 40 9.069 4.529 -0.698 1.00 0.00 C ATOM 680 CG GLU A 40 10.527 4.160 -0.416 1.00 0.00 C ATOM 681 CD GLU A 40 11.166 5.156 0.555 1.00 0.00 C ATOM 682 OE1 GLU A 40 10.815 5.085 1.753 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.989 5.967 0.077 1.00 0.00 O ATOM 0 H GLU A 40 7.263 6.074 0.011 1.00 0.00 H new ATOM 0 HA GLU A 40 9.863 6.493 -0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.480 4.422 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.651 3.839 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.577 3.155 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.089 4.145 -1.350 1.00 0.00 H new ATOM 690 N LEU A 41 7.681 5.628 -3.236 1.00 0.00 N ATOM 691 CA LEU A 41 7.444 5.603 -4.668 1.00 0.00 C ATOM 692 C LEU A 41 7.712 6.994 -5.250 1.00 0.00 C ATOM 693 O LEU A 41 8.452 7.132 -6.222 1.00 0.00 O ATOM 694 CB LEU A 41 6.041 5.071 -4.971 1.00 0.00 C ATOM 695 CG LEU A 41 5.882 3.550 -4.946 1.00 0.00 C ATOM 696 CD1 LEU A 41 7.018 2.866 -5.711 1.00 0.00 C ATOM 697 CD2 LEU A 41 5.767 3.034 -3.510 1.00 0.00 C ATOM 0 H LEU A 41 6.881 5.352 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 41 8.134 4.914 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.347 5.501 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.742 5.432 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 41 4.952 3.296 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.880 1.785 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.011 3.201 -6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.973 3.125 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.655 1.950 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.666 3.300 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.898 3.484 -3.030 1.00 0.00 H new ATOM 709 N GLU A 42 7.094 7.988 -4.629 1.00 0.00 N ATOM 710 CA GLU A 42 7.258 9.362 -5.071 1.00 0.00 C ATOM 711 C GLU A 42 8.741 9.736 -5.108 1.00 0.00 C ATOM 712 O GLU A 42 9.169 10.506 -5.966 1.00 0.00 O ATOM 713 CB GLU A 42 6.472 10.323 -4.177 1.00 0.00 C ATOM 714 CG GLU A 42 5.448 11.117 -4.991 1.00 0.00 C ATOM 715 CD GLU A 42 4.785 12.197 -4.134 1.00 0.00 C ATOM 716 OE1 GLU A 42 4.087 11.809 -3.172 1.00 0.00 O ATOM 717 OE2 GLU A 42 4.989 13.386 -4.460 1.00 0.00 O ATOM 0 H GLU A 42 6.479 7.869 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 42 6.858 9.448 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.963 9.762 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.159 11.009 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.938 11.578 -5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.688 10.442 -5.384 1.00 0.00 H new ATOM 724 N ARG A 43 9.483 9.172 -4.167 1.00 0.00 N ATOM 725 CA ARG A 43 10.910 9.437 -4.082 1.00 0.00 C ATOM 726 C ARG A 43 11.667 8.607 -5.120 1.00 0.00 C ATOM 727 O ARG A 43 12.771 8.970 -5.524 1.00 0.00 O ATOM 728 CB ARG A 43 11.448 9.109 -2.687 1.00 0.00 C ATOM 729 CG ARG A 43 11.868 10.382 -1.948 1.00 0.00 C ATOM 730 CD ARG A 43 13.385 10.431 -1.760 1.00 0.00 C ATOM 731 NE ARG A 43 13.909 11.739 -2.213 1.00 0.00 N ATOM 732 CZ ARG A 43 13.610 12.910 -1.635 1.00 0.00 C ATOM 733 NH1 ARG A 43 12.788 12.944 -0.577 1.00 0.00 N ATOM 734 NH2 ARG A 43 14.132 14.047 -2.114 1.00 0.00 N ATOM 0 H ARG A 43 9.124 8.533 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 43 11.063 10.498 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.684 8.586 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.301 8.435 -2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.539 11.257 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.376 10.422 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.635 10.273 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.856 9.626 -2.324 1.00 0.00 H new ATOM 0 HE ARG A 43 14.538 11.749 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.390 12.078 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.560 13.835 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.758 14.021 -2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.904 14.938 -1.673 1.00 0.00 H new ATOM 748 N PHE A 44 11.044 7.510 -5.523 1.00 0.00 N ATOM 749 CA PHE A 44 11.645 6.626 -6.506 1.00 0.00 C ATOM 750 C PHE A 44 11.347 7.105 -7.929 1.00 0.00 C ATOM 751 O PHE A 44 11.778 6.485 -8.899 1.00 0.00 O ATOM 752 CB PHE A 44 11.021 5.243 -6.306 1.00 0.00 C ATOM 753 CG PHE A 44 11.764 4.366 -5.296 1.00 0.00 C ATOM 754 CD1 PHE A 44 13.107 4.185 -5.411 1.00 0.00 C ATOM 755 CD2 PHE A 44 11.082 3.766 -4.285 1.00 0.00 C ATOM 756 CE1 PHE A 44 13.797 3.371 -4.475 1.00 0.00 C ATOM 757 CE2 PHE A 44 11.771 2.952 -3.348 1.00 0.00 C ATOM 758 CZ PHE A 44 13.114 2.772 -3.462 1.00 0.00 C ATOM 0 H PHE A 44 10.128 7.213 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 44 12.727 6.607 -6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.989 5.365 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.990 4.727 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.649 4.661 -6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.015 3.909 -4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.863 3.227 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.229 2.476 -2.545 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.638 2.154 -2.749 1.00 0.00 H new ATOM 768 N ALA A 45 10.612 8.205 -8.007 1.00 0.00 N ATOM 769 CA ALA A 45 10.251 8.775 -9.294 1.00 0.00 C ATOM 770 C ALA A 45 9.231 7.865 -9.981 1.00 0.00 C ATOM 771 O ALA A 45 9.354 7.576 -11.171 1.00 0.00 O ATOM 772 CB ALA A 45 11.514 8.975 -10.135 1.00 0.00 C ATOM 0 H ALA A 45 10.257 8.717 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 45 9.786 9.753 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.244 9.403 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.193 9.651 -9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.005 8.014 -10.288 1.00 0.00 H new ATOM 778 N VAL A 46 8.247 7.440 -9.203 1.00 0.00 N ATOM 779 CA VAL A 46 7.205 6.568 -9.722 1.00 0.00 C ATOM 780 C VAL A 46 5.838 7.200 -9.453 1.00 0.00 C ATOM 781 O VAL A 46 5.644 7.861 -8.434 1.00 0.00 O ATOM 782 CB VAL A 46 7.346 5.169 -9.121 1.00 0.00 C ATOM 783 CG1 VAL A 46 6.291 4.219 -9.691 1.00 0.00 C ATOM 784 CG2 VAL A 46 8.756 4.617 -9.339 1.00 0.00 C ATOM 0 H VAL A 46 8.148 7.683 -8.217 1.00 0.00 H new ATOM 0 HA VAL A 46 7.304 6.454 -10.801 1.00 0.00 H new ATOM 0 HB VAL A 46 7.181 5.248 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.413 3.231 -9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.296 4.600 -9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.411 4.149 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.828 3.621 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.963 4.560 -10.408 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.482 5.276 -8.863 1.00 0.00 H new ATOM 794 N ASN A 47 4.925 6.975 -10.387 1.00 0.00 N ATOM 795 CA ASN A 47 3.581 7.514 -10.264 1.00 0.00 C ATOM 796 C ASN A 47 2.797 6.689 -9.241 1.00 0.00 C ATOM 797 O ASN A 47 2.698 5.469 -9.367 1.00 0.00 O ATOM 798 CB ASN A 47 2.835 7.446 -11.599 1.00 0.00 C ATOM 799 CG ASN A 47 2.188 8.791 -11.934 1.00 0.00 C ATOM 800 OD1 ASN A 47 2.297 9.762 -11.203 1.00 0.00 O ATOM 801 ND2 ASN A 47 1.511 8.794 -13.079 1.00 0.00 N ATOM 0 H ASN A 47 5.090 6.427 -11.232 1.00 0.00 H new ATOM 0 HA ASN A 47 3.663 8.555 -9.950 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.527 7.164 -12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.069 6.671 -11.553 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.043 9.644 -13.393 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.460 7.946 -13.643 1.00 0.00 H new ATOM 808 N PRO A 48 2.245 7.406 -8.226 1.00 0.00 N ATOM 809 CA PRO A 48 1.473 6.753 -7.182 1.00 0.00 C ATOM 810 C PRO A 48 0.089 6.350 -7.695 1.00 0.00 C ATOM 811 O PRO A 48 -0.424 5.289 -7.342 1.00 0.00 O ATOM 812 CB PRO A 48 1.415 7.762 -6.047 1.00 0.00 C ATOM 813 CG PRO A 48 1.753 9.107 -6.667 1.00 0.00 C ATOM 814 CD PRO A 48 2.342 8.852 -8.045 1.00 0.00 C ATOM 0 HA PRO A 48 1.925 5.820 -6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.425 7.780 -5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.124 7.506 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.860 9.727 -6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.464 9.647 -6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.789 9.386 -8.817 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.377 9.190 -8.103 1.00 0.00 H new ATOM 822 N GLY A 49 -0.477 7.218 -8.521 1.00 0.00 N ATOM 823 CA GLY A 49 -1.792 6.966 -9.086 1.00 0.00 C ATOM 824 C GLY A 49 -1.800 5.669 -9.898 1.00 0.00 C ATOM 825 O GLY A 49 -2.772 4.915 -9.861 1.00 0.00 O ATOM 0 H GLY A 49 -0.049 8.097 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.530 6.903 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.084 7.800 -9.724 1.00 0.00 H new ATOM 829 N LEU A 50 -0.705 5.448 -10.611 1.00 0.00 N ATOM 830 CA LEU A 50 -0.574 4.255 -11.430 1.00 0.00 C ATOM 831 C LEU A 50 -0.427 3.032 -10.523 1.00 0.00 C ATOM 832 O LEU A 50 -0.660 1.903 -10.953 1.00 0.00 O ATOM 833 CB LEU A 50 0.570 4.417 -12.434 1.00 0.00 C ATOM 834 CG LEU A 50 1.914 3.814 -12.021 1.00 0.00 C ATOM 835 CD1 LEU A 50 1.865 2.285 -12.060 1.00 0.00 C ATOM 836 CD2 LEU A 50 3.052 4.372 -12.880 1.00 0.00 C ATOM 0 H LEU A 50 0.099 6.075 -10.638 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.473 4.103 -12.027 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.266 3.964 -13.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.714 5.481 -12.622 1.00 0.00 H new ATOM 0 HG LEU A 50 2.115 4.104 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.833 1.882 -11.762 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.097 1.928 -11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.630 1.954 -13.072 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.996 3.927 -12.566 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.868 4.132 -13.927 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.102 5.454 -12.759 1.00 0.00 H new ATOM 848 N LEU A 51 -0.040 3.297 -9.284 1.00 0.00 N ATOM 849 CA LEU A 51 0.140 2.233 -8.312 1.00 0.00 C ATOM 850 C LEU A 51 -1.211 1.883 -7.686 1.00 0.00 C ATOM 851 O LEU A 51 -1.297 0.994 -6.842 1.00 0.00 O ATOM 852 CB LEU A 51 1.210 2.618 -7.288 1.00 0.00 C ATOM 853 CG LEU A 51 1.123 1.916 -5.931 1.00 0.00 C ATOM 854 CD1 LEU A 51 1.295 0.403 -6.084 1.00 0.00 C ATOM 855 CD2 LEU A 51 2.128 2.509 -4.941 1.00 0.00 C ATOM 0 H LEU A 51 0.154 4.234 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 51 0.508 1.331 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.189 2.411 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.156 3.694 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 51 0.128 2.088 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.229 -0.072 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.510 0.011 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.269 0.190 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.045 1.992 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.138 2.389 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.917 3.569 -4.800 1.00 0.00 H new ATOM 867 N GLU A 52 -2.234 2.601 -8.127 1.00 0.00 N ATOM 868 CA GLU A 52 -3.578 2.379 -7.621 1.00 0.00 C ATOM 869 C GLU A 52 -4.180 1.120 -8.250 1.00 0.00 C ATOM 870 O GLU A 52 -5.280 0.705 -7.887 1.00 0.00 O ATOM 871 CB GLU A 52 -4.468 3.597 -7.873 1.00 0.00 C ATOM 872 CG GLU A 52 -5.865 3.387 -7.286 1.00 0.00 C ATOM 873 CD GLU A 52 -6.682 4.679 -7.339 1.00 0.00 C ATOM 874 OE1 GLU A 52 -6.346 5.529 -8.191 1.00 0.00 O ATOM 875 OE2 GLU A 52 -7.625 4.787 -6.525 1.00 0.00 O ATOM 0 H GLU A 52 -2.159 3.337 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.519 2.231 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.013 4.482 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.544 3.781 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.382 2.603 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.782 3.047 -6.254 1.00 0.00 H new ATOM 882 N THR A 53 -3.432 0.549 -9.182 1.00 0.00 N ATOM 883 CA THR A 53 -3.879 -0.655 -9.865 1.00 0.00 C ATOM 884 C THR A 53 -2.968 -1.834 -9.518 1.00 0.00 C ATOM 885 O THR A 53 -1.783 -1.648 -9.243 1.00 0.00 O ATOM 886 CB THR A 53 -3.938 -0.352 -11.364 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.578 -0.421 -11.786 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.346 1.093 -11.656 1.00 0.00 C ATOM 0 H THR A 53 -2.521 0.896 -9.481 1.00 0.00 H new ATOM 0 HA THR A 53 -4.876 -0.949 -9.538 1.00 0.00 H new ATOM 0 HB THR A 53 -4.644 -1.031 -11.843 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.086 0.350 -11.433 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.372 1.253 -12.734 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.334 1.284 -11.237 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.623 1.773 -11.205 1.00 0.00 H new ATOM 896 N SER A 54 -3.556 -3.021 -9.543 1.00 0.00 N ATOM 897 CA SER A 54 -2.813 -4.231 -9.234 1.00 0.00 C ATOM 898 C SER A 54 -1.609 -4.359 -10.170 1.00 0.00 C ATOM 899 O SER A 54 -0.545 -4.820 -9.759 1.00 0.00 O ATOM 900 CB SER A 54 -3.705 -5.469 -9.344 1.00 0.00 C ATOM 901 OG SER A 54 -3.763 -5.968 -10.677 1.00 0.00 O ATOM 0 H SER A 54 -4.539 -3.171 -9.772 1.00 0.00 H new ATOM 0 HA SER A 54 -2.460 -4.162 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.328 -6.248 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.711 -5.222 -9.005 1.00 0.00 H new ATOM 0 HG SER A 54 -4.341 -6.759 -10.705 1.00 0.00 H new ATOM 907 N GLU A 55 -1.818 -3.943 -11.411 1.00 0.00 N ATOM 908 CA GLU A 55 -0.764 -4.005 -12.408 1.00 0.00 C ATOM 909 C GLU A 55 0.393 -3.085 -12.016 1.00 0.00 C ATOM 910 O GLU A 55 1.552 -3.498 -12.028 1.00 0.00 O ATOM 911 CB GLU A 55 -1.301 -3.650 -13.796 1.00 0.00 C ATOM 912 CG GLU A 55 -2.011 -4.847 -14.432 1.00 0.00 C ATOM 913 CD GLU A 55 -3.514 -4.592 -14.554 1.00 0.00 C ATOM 914 OE1 GLU A 55 -3.887 -3.813 -15.457 1.00 0.00 O ATOM 915 OE2 GLU A 55 -4.257 -5.181 -13.739 1.00 0.00 O ATOM 0 H GLU A 55 -2.702 -3.562 -11.748 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.390 -5.028 -12.450 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.993 -2.811 -13.719 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.480 -3.328 -14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.590 -5.042 -15.419 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.838 -5.739 -13.830 1.00 0.00 H new ATOM 922 N GLY A 56 0.039 -1.853 -11.677 1.00 0.00 N ATOM 923 CA GLY A 56 1.034 -0.871 -11.281 1.00 0.00 C ATOM 924 C GLY A 56 1.837 -1.358 -10.074 1.00 0.00 C ATOM 925 O GLY A 56 3.046 -1.143 -10.000 1.00 0.00 O ATOM 0 H GLY A 56 -0.923 -1.513 -11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.708 -0.675 -12.115 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.543 0.072 -11.039 1.00 0.00 H new ATOM 929 N CYS A 57 1.132 -2.006 -9.158 1.00 0.00 N ATOM 930 CA CYS A 57 1.765 -2.526 -7.957 1.00 0.00 C ATOM 931 C CYS A 57 2.776 -3.597 -8.372 1.00 0.00 C ATOM 932 O CYS A 57 3.901 -3.619 -7.876 1.00 0.00 O ATOM 933 CB CYS A 57 0.733 -3.069 -6.965 1.00 0.00 C ATOM 934 SG CYS A 57 1.571 -3.634 -5.439 1.00 0.00 S ATOM 0 H CYS A 57 0.130 -2.183 -9.223 1.00 0.00 H new ATOM 0 HA CYS A 57 2.284 -1.720 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.005 -2.295 -6.725 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.183 -3.895 -7.415 1.00 0.00 H new ATOM 0 HG CYS A 57 2.387 -4.604 -5.726 1.00 0.00 H new ATOM 940 N ARG A 58 2.339 -4.459 -9.278 1.00 0.00 N ATOM 941 CA ARG A 58 3.192 -5.530 -9.765 1.00 0.00 C ATOM 942 C ARG A 58 4.432 -4.951 -10.449 1.00 0.00 C ATOM 943 O ARG A 58 5.542 -5.441 -10.249 1.00 0.00 O ATOM 944 CB ARG A 58 2.443 -6.424 -10.755 1.00 0.00 C ATOM 945 CG ARG A 58 3.028 -7.838 -10.768 1.00 0.00 C ATOM 946 CD ARG A 58 3.259 -8.322 -12.201 1.00 0.00 C ATOM 947 NE ARG A 58 3.481 -9.786 -12.210 1.00 0.00 N ATOM 948 CZ ARG A 58 3.617 -10.518 -13.325 1.00 0.00 C ATOM 949 NH1 ARG A 58 3.553 -9.927 -14.526 1.00 0.00 N ATOM 950 NH2 ARG A 58 3.815 -11.840 -13.238 1.00 0.00 N ATOM 0 H ARG A 58 1.405 -4.438 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 58 3.493 -6.131 -8.907 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.387 -6.466 -10.486 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.501 -5.994 -11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.970 -7.851 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.351 -8.520 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.398 -8.072 -12.821 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.121 -7.812 -12.632 1.00 0.00 H new ATOM 0 HE ARG A 58 3.534 -10.267 -11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.401 -8.921 -14.592 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.656 -10.484 -15.374 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.862 -12.290 -12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.918 -12.397 -14.086 1.00 0.00 H new ATOM 964 N GLN A 59 4.201 -3.914 -11.242 1.00 0.00 N ATOM 965 CA GLN A 59 5.286 -3.263 -11.957 1.00 0.00 C ATOM 966 C GLN A 59 6.343 -2.759 -10.973 1.00 0.00 C ATOM 967 O GLN A 59 7.536 -2.982 -11.170 1.00 0.00 O ATOM 968 CB GLN A 59 4.761 -2.121 -12.829 1.00 0.00 C ATOM 969 CG GLN A 59 5.659 -1.904 -14.049 1.00 0.00 C ATOM 970 CD GLN A 59 4.905 -1.174 -15.162 1.00 0.00 C ATOM 971 OE1 GLN A 59 3.690 -1.227 -15.262 1.00 0.00 O ATOM 972 NE2 GLN A 59 5.692 -0.493 -15.990 1.00 0.00 N ATOM 0 H GLN A 59 3.279 -3.509 -11.405 1.00 0.00 H new ATOM 0 HA GLN A 59 5.751 -3.996 -12.616 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.746 -2.346 -13.156 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.711 -1.204 -12.242 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.537 -1.326 -13.760 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.017 -2.865 -14.417 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.702 -0.492 -15.848 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.286 0.028 -16.767 1.00 0.00 H new ATOM 981 N ILE A 60 5.866 -2.088 -9.934 1.00 0.00 N ATOM 982 CA ILE A 60 6.755 -1.550 -8.918 1.00 0.00 C ATOM 983 C ILE A 60 7.560 -2.692 -8.294 1.00 0.00 C ATOM 984 O ILE A 60 8.770 -2.575 -8.108 1.00 0.00 O ATOM 985 CB ILE A 60 5.968 -0.723 -7.901 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.411 0.550 -8.540 1.00 0.00 C ATOM 987 CG2 ILE A 60 6.819 -0.420 -6.665 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.105 0.975 -7.868 1.00 0.00 C ATOM 0 H ILE A 60 4.875 -1.905 -9.774 1.00 0.00 H new ATOM 0 HA ILE A 60 7.473 -0.862 -9.365 1.00 0.00 H new ATOM 0 HB ILE A 60 5.115 -1.314 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.144 1.353 -8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.239 0.382 -9.603 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.236 0.169 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.123 -1.355 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.705 0.142 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.731 1.883 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.367 0.180 -7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.285 1.166 -6.810 1.00 0.00 H new ATOM 1000 N LEU A 61 6.854 -3.771 -7.988 1.00 0.00 N ATOM 1001 CA LEU A 61 7.487 -4.934 -7.388 1.00 0.00 C ATOM 1002 C LEU A 61 8.647 -5.392 -8.276 1.00 0.00 C ATOM 1003 O LEU A 61 9.725 -5.713 -7.777 1.00 0.00 O ATOM 1004 CB LEU A 61 6.452 -6.027 -7.117 1.00 0.00 C ATOM 1005 CG LEU A 61 6.870 -7.116 -6.127 1.00 0.00 C ATOM 1006 CD1 LEU A 61 7.019 -6.546 -4.715 1.00 0.00 C ATOM 1007 CD2 LEU A 61 5.899 -8.298 -6.169 1.00 0.00 C ATOM 0 H LEU A 61 5.850 -3.864 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 61 7.909 -4.679 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.543 -5.555 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.199 -6.503 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 61 7.848 -7.492 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.317 -7.341 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.779 -5.765 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.067 -6.125 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.219 -9.058 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.897 -7.956 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.888 -8.724 -7.172 1.00 0.00 H new ATOM 1019 N GLY A 62 8.386 -5.409 -9.574 1.00 0.00 N ATOM 1020 CA GLY A 62 9.394 -5.823 -10.535 1.00 0.00 C ATOM 1021 C GLY A 62 10.464 -4.742 -10.708 1.00 0.00 C ATOM 1022 O GLY A 62 11.585 -5.032 -11.122 1.00 0.00 O ATOM 0 H GLY A 62 7.491 -5.143 -9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.860 -6.751 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.922 -6.030 -11.496 1.00 0.00 H new ATOM 1026 N GLN A 63 10.078 -3.516 -10.382 1.00 0.00 N ATOM 1027 CA GLN A 63 10.990 -2.390 -10.495 1.00 0.00 C ATOM 1028 C GLN A 63 12.097 -2.496 -9.445 1.00 0.00 C ATOM 1029 O GLN A 63 13.261 -2.223 -9.734 1.00 0.00 O ATOM 1030 CB GLN A 63 10.240 -1.063 -10.370 1.00 0.00 C ATOM 1031 CG GLN A 63 10.922 0.031 -11.194 1.00 0.00 C ATOM 1032 CD GLN A 63 10.021 1.262 -11.323 1.00 0.00 C ATOM 1033 OE1 GLN A 63 9.253 1.596 -10.437 1.00 0.00 O ATOM 1034 NE2 GLN A 63 10.158 1.914 -12.475 1.00 0.00 N ATOM 0 H GLN A 63 9.147 -3.278 -10.040 1.00 0.00 H new ATOM 0 HA GLN A 63 11.450 -2.418 -11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.211 -1.189 -10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.198 -0.762 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.864 0.313 -10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.164 -0.353 -12.185 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.821 1.580 -13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.600 2.748 -12.658 1.00 0.00 H new ATOM 1043 N LEU A 64 11.695 -2.890 -8.245 1.00 0.00 N ATOM 1044 CA LEU A 64 12.638 -3.034 -7.149 1.00 0.00 C ATOM 1045 C LEU A 64 13.048 -4.503 -7.025 1.00 0.00 C ATOM 1046 O LEU A 64 13.974 -4.833 -6.286 1.00 0.00 O ATOM 1047 CB LEU A 64 12.058 -2.447 -5.862 1.00 0.00 C ATOM 1048 CG LEU A 64 10.600 -1.986 -5.932 1.00 0.00 C ATOM 1049 CD1 LEU A 64 9.642 -3.168 -5.762 1.00 0.00 C ATOM 1050 CD2 LEU A 64 10.327 -0.876 -4.915 1.00 0.00 C ATOM 0 H LEU A 64 10.729 -3.114 -8.008 1.00 0.00 H new ATOM 0 HA LEU A 64 13.546 -2.465 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.144 -3.195 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.673 -1.598 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 64 10.421 -1.567 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.613 -2.813 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.817 -3.895 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.813 -3.639 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.284 -0.566 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.529 -1.246 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.973 -0.024 -5.124 1.00 0.00 H new ATOM 1062 N GLN A 65 12.338 -5.347 -7.759 1.00 0.00 N ATOM 1063 CA GLN A 65 12.616 -6.773 -7.740 1.00 0.00 C ATOM 1064 C GLN A 65 14.118 -7.019 -7.584 1.00 0.00 C ATOM 1065 O GLN A 65 14.545 -7.706 -6.658 1.00 0.00 O ATOM 1066 CB GLN A 65 12.078 -7.453 -9.000 1.00 0.00 C ATOM 1067 CG GLN A 65 10.896 -8.367 -8.668 1.00 0.00 C ATOM 1068 CD GLN A 65 10.630 -9.355 -9.805 1.00 0.00 C ATOM 1069 OE1 GLN A 65 11.532 -9.961 -10.359 1.00 0.00 O ATOM 1070 NE2 GLN A 65 9.344 -9.483 -10.121 1.00 0.00 N ATOM 0 H GLN A 65 11.570 -5.070 -8.371 1.00 0.00 H new ATOM 0 HA GLN A 65 12.105 -7.211 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.766 -6.697 -9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.871 -8.034 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.102 -8.913 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.005 -7.765 -8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.639 -8.945 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.063 -10.119 -10.868 1.00 0.00 H new ATOM 1079 N PRO A 66 14.899 -6.427 -8.527 1.00 0.00 N ATOM 1080 CA PRO A 66 16.344 -6.575 -8.503 1.00 0.00 C ATOM 1081 C PRO A 66 16.965 -5.714 -7.401 1.00 0.00 C ATOM 1082 O PRO A 66 17.979 -6.087 -6.814 1.00 0.00 O ATOM 1083 CB PRO A 66 16.804 -6.178 -9.896 1.00 0.00 C ATOM 1084 CG PRO A 66 15.659 -5.382 -10.502 1.00 0.00 C ATOM 1085 CD PRO A 66 14.428 -5.605 -9.638 1.00 0.00 C ATOM 0 HA PRO A 66 16.658 -7.592 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.714 -5.580 -9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 66 17.030 -7.058 -10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.910 -4.322 -10.542 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.470 -5.704 -11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.016 -4.660 -9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.638 -6.108 -10.196 1.00 0.00 H new ATOM 1093 N SER A 67 16.328 -4.578 -7.152 1.00 0.00 N ATOM 1094 CA SER A 67 16.806 -3.662 -6.130 1.00 0.00 C ATOM 1095 C SER A 67 16.901 -4.382 -4.784 1.00 0.00 C ATOM 1096 O SER A 67 17.628 -3.946 -3.893 1.00 0.00 O ATOM 1097 CB SER A 67 15.891 -2.441 -6.015 1.00 0.00 C ATOM 1098 OG SER A 67 15.902 -1.652 -7.202 1.00 0.00 O ATOM 0 H SER A 67 15.486 -4.272 -7.640 1.00 0.00 H new ATOM 0 HA SER A 67 17.798 -3.314 -6.419 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.873 -2.769 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.207 -1.829 -5.170 1.00 0.00 H new ATOM 0 HG SER A 67 15.305 -0.883 -7.089 1.00 0.00 H new ATOM 1104 N LEU A 68 16.156 -5.473 -4.678 1.00 0.00 N ATOM 1105 CA LEU A 68 16.148 -6.258 -3.455 1.00 0.00 C ATOM 1106 C LEU A 68 17.551 -6.811 -3.201 1.00 0.00 C ATOM 1107 O LEU A 68 18.029 -6.803 -2.067 1.00 0.00 O ATOM 1108 CB LEU A 68 15.064 -7.336 -3.519 1.00 0.00 C ATOM 1109 CG LEU A 68 13.645 -6.882 -3.171 1.00 0.00 C ATOM 1110 CD1 LEU A 68 13.198 -7.460 -1.827 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.534 -5.357 -3.205 1.00 0.00 C ATOM 0 H LEU A 68 15.554 -5.832 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 68 15.892 -5.631 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.054 -7.754 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.342 -8.144 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 68 12.966 -7.271 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.186 -7.122 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.214 -8.549 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 68 13.875 -7.122 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.516 -5.061 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 68 14.226 -4.926 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.781 -4.996 -4.203 1.00 0.00 H new ATOM 1123 N GLN A 69 18.173 -7.278 -4.273 1.00 0.00 N ATOM 1124 CA GLN A 69 19.512 -7.834 -4.179 1.00 0.00 C ATOM 1125 C GLN A 69 20.336 -7.061 -3.148 1.00 0.00 C ATOM 1126 O GLN A 69 20.711 -7.607 -2.111 1.00 0.00 O ATOM 1127 CB GLN A 69 20.202 -7.835 -5.544 1.00 0.00 C ATOM 1128 CG GLN A 69 20.880 -9.180 -5.815 1.00 0.00 C ATOM 1129 CD GLN A 69 22.401 -9.059 -5.705 1.00 0.00 C ATOM 1130 OE1 GLN A 69 22.948 -8.003 -5.436 1.00 0.00 O ATOM 1131 NE2 GLN A 69 23.052 -10.197 -5.930 1.00 0.00 N ATOM 0 H GLN A 69 17.774 -7.283 -5.212 1.00 0.00 H new ATOM 0 HA GLN A 69 19.432 -8.870 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.471 -7.629 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.943 -7.036 -5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 69 20.518 -9.923 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.611 -9.533 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 69 22.533 -11.047 -6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 69 24.071 -10.220 -5.882 1.00 0.00 H new ATOM 1140 N THR A 70 20.594 -5.801 -3.468 1.00 0.00 N ATOM 1141 CA THR A 70 21.368 -4.947 -2.582 1.00 0.00 C ATOM 1142 C THR A 70 20.518 -3.769 -2.102 1.00 0.00 C ATOM 1143 O THR A 70 21.020 -2.656 -1.955 1.00 0.00 O ATOM 1144 CB THR A 70 22.635 -4.519 -3.326 1.00 0.00 C ATOM 1145 OG1 THR A 70 22.205 -3.441 -4.152 1.00 0.00 O ATOM 1146 CG2 THR A 70 23.119 -5.580 -4.317 1.00 0.00 C ATOM 0 H THR A 70 20.281 -5.351 -4.328 1.00 0.00 H new ATOM 0 HA THR A 70 21.668 -5.480 -1.680 1.00 0.00 H new ATOM 0 HB THR A 70 23.426 -4.309 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.919 -2.692 -3.589 1.00 0.00 H new ATOM 0 HG21 THR A 70 24.020 -5.226 -4.818 1.00 0.00 H new ATOM 0 HG22 THR A 70 23.340 -6.504 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 70 22.342 -5.767 -5.058 1.00 0.00 H new ATOM 1154 N GLY A 71 19.245 -4.055 -1.870 1.00 0.00 N ATOM 1155 CA GLY A 71 18.321 -3.033 -1.408 1.00 0.00 C ATOM 1156 C GLY A 71 18.550 -2.714 0.071 1.00 0.00 C ATOM 1157 O GLY A 71 19.313 -3.402 0.747 1.00 0.00 O ATOM 0 H GLY A 71 18.832 -4.979 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.447 -2.128 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.295 -3.371 -1.556 1.00 0.00 H new ATOM 1161 N SER A 72 17.874 -1.671 0.530 1.00 0.00 N ATOM 1162 CA SER A 72 17.994 -1.252 1.916 1.00 0.00 C ATOM 1163 C SER A 72 16.864 -1.864 2.746 1.00 0.00 C ATOM 1164 O SER A 72 15.939 -2.462 2.199 1.00 0.00 O ATOM 1165 CB SER A 72 17.974 0.273 2.035 1.00 0.00 C ATOM 1166 OG SER A 72 16.652 0.799 1.946 1.00 0.00 O ATOM 0 H SER A 72 17.241 -1.103 -0.034 1.00 0.00 H new ATOM 0 HA SER A 72 18.951 -1.606 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.418 0.568 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.590 0.706 1.247 1.00 0.00 H new ATOM 0 HG SER A 72 16.682 1.775 2.028 1.00 0.00 H new ATOM 1172 N GLU A 73 16.976 -1.693 4.055 1.00 0.00 N ATOM 1173 CA GLU A 73 15.975 -2.222 4.968 1.00 0.00 C ATOM 1174 C GLU A 73 14.609 -1.601 4.673 1.00 0.00 C ATOM 1175 O GLU A 73 13.594 -2.296 4.671 1.00 0.00 O ATOM 1176 CB GLU A 73 16.382 -1.987 6.424 1.00 0.00 C ATOM 1177 CG GLU A 73 16.514 -0.491 6.722 1.00 0.00 C ATOM 1178 CD GLU A 73 17.121 -0.260 8.107 1.00 0.00 C ATOM 1179 OE1 GLU A 73 18.308 -0.618 8.274 1.00 0.00 O ATOM 1180 OE2 GLU A 73 16.386 0.270 8.968 1.00 0.00 O ATOM 0 H GLU A 73 17.744 -1.196 4.506 1.00 0.00 H new ATOM 0 HA GLU A 73 15.904 -3.299 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.640 -2.430 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.329 -2.487 6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.139 -0.019 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.534 -0.018 6.667 1.00 0.00 H new ATOM 1187 N GLU A 74 14.626 -0.298 4.431 1.00 0.00 N ATOM 1188 CA GLU A 74 13.400 0.424 4.135 1.00 0.00 C ATOM 1189 C GLU A 74 12.833 -0.022 2.786 1.00 0.00 C ATOM 1190 O GLU A 74 11.630 -0.243 2.658 1.00 0.00 O ATOM 1191 CB GLU A 74 13.636 1.936 4.158 1.00 0.00 C ATOM 1192 CG GLU A 74 13.308 2.522 5.533 1.00 0.00 C ATOM 1193 CD GLU A 74 14.041 3.846 5.754 1.00 0.00 C ATOM 1194 OE1 GLU A 74 13.766 4.784 4.975 1.00 0.00 O ATOM 1195 OE2 GLU A 74 14.861 3.891 6.696 1.00 0.00 O ATOM 0 H GLU A 74 15.469 0.276 4.434 1.00 0.00 H new ATOM 0 HA GLU A 74 12.668 0.191 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.675 2.149 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.019 2.415 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.233 2.679 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.589 1.812 6.311 1.00 0.00 H new ATOM 1202 N LEU A 75 13.725 -0.141 1.815 1.00 0.00 N ATOM 1203 CA LEU A 75 13.329 -0.557 0.480 1.00 0.00 C ATOM 1204 C LEU A 75 12.698 -1.949 0.551 1.00 0.00 C ATOM 1205 O LEU A 75 11.755 -2.245 -0.180 1.00 0.00 O ATOM 1206 CB LEU A 75 14.514 -0.467 -0.483 1.00 0.00 C ATOM 1207 CG LEU A 75 14.248 -0.928 -1.918 1.00 0.00 C ATOM 1208 CD1 LEU A 75 15.213 -0.257 -2.897 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.295 -2.453 -2.021 1.00 0.00 C ATOM 0 H LEU A 75 14.722 0.043 1.926 1.00 0.00 H new ATOM 0 HA LEU A 75 12.572 0.117 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.855 0.568 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.333 -1.061 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 75 13.241 -0.618 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.003 -0.602 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.087 0.825 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.238 -0.515 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.103 -2.754 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.280 -2.808 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.536 -2.885 -1.369 1.00 0.00 H new ATOM 1221 N ARG A 76 13.244 -2.767 1.440 1.00 0.00 N ATOM 1222 CA ARG A 76 12.746 -4.120 1.616 1.00 0.00 C ATOM 1223 C ARG A 76 11.335 -4.094 2.206 1.00 0.00 C ATOM 1224 O ARG A 76 10.449 -4.809 1.738 1.00 0.00 O ATOM 1225 CB ARG A 76 13.662 -4.928 2.538 1.00 0.00 C ATOM 1226 CG ARG A 76 13.914 -6.327 1.971 1.00 0.00 C ATOM 1227 CD ARG A 76 13.682 -7.399 3.038 1.00 0.00 C ATOM 1228 NE ARG A 76 13.450 -8.712 2.393 1.00 0.00 N ATOM 1229 CZ ARG A 76 14.413 -9.452 1.829 1.00 0.00 C ATOM 1230 NH1 ARG A 76 15.680 -9.015 1.827 1.00 0.00 N ATOM 1231 NH2 ARG A 76 14.111 -10.631 1.268 1.00 0.00 N ATOM 0 H ARG A 76 14.026 -2.518 2.046 1.00 0.00 H new ATOM 0 HA ARG A 76 12.725 -4.596 0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.611 -4.406 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.210 -5.008 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.253 -6.504 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.936 -6.394 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.545 -7.457 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.824 -7.131 3.655 1.00 0.00 H new ATOM 0 HE ARG A 76 12.497 -9.075 2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.911 -8.119 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.413 -9.579 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.147 -10.965 1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.845 -11.194 0.838 1.00 0.00 H new ATOM 1245 N SER A 77 11.168 -3.262 3.223 1.00 0.00 N ATOM 1246 CA SER A 77 9.879 -3.134 3.881 1.00 0.00 C ATOM 1247 C SER A 77 8.816 -2.699 2.871 1.00 0.00 C ATOM 1248 O SER A 77 7.690 -3.194 2.896 1.00 0.00 O ATOM 1249 CB SER A 77 9.949 -2.137 5.041 1.00 0.00 C ATOM 1250 OG SER A 77 10.201 -2.782 6.285 1.00 0.00 O ATOM 0 H SER A 77 11.904 -2.670 3.608 1.00 0.00 H new ATOM 0 HA SER A 77 9.606 -4.107 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.735 -1.408 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.011 -1.586 5.102 1.00 0.00 H new ATOM 0 HG SER A 77 10.240 -2.112 6.999 1.00 0.00 H new ATOM 1256 N LEU A 78 9.211 -1.776 2.005 1.00 0.00 N ATOM 1257 CA LEU A 78 8.307 -1.269 0.987 1.00 0.00 C ATOM 1258 C LEU A 78 7.959 -2.395 0.012 1.00 0.00 C ATOM 1259 O LEU A 78 6.798 -2.567 -0.355 1.00 0.00 O ATOM 1260 CB LEU A 78 8.901 -0.031 0.312 1.00 0.00 C ATOM 1261 CG LEU A 78 8.469 0.215 -1.136 1.00 0.00 C ATOM 1262 CD1 LEU A 78 7.818 1.591 -1.287 1.00 0.00 C ATOM 1263 CD2 LEU A 78 9.644 0.028 -2.098 1.00 0.00 C ATOM 0 H LEU A 78 10.145 -1.367 1.988 1.00 0.00 H new ATOM 0 HA LEU A 78 7.371 -0.939 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.634 0.845 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.988 -0.114 0.337 1.00 0.00 H new ATOM 0 HG LEU A 78 7.716 -0.528 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.520 1.741 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.939 1.650 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.530 2.364 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.310 0.209 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.437 0.732 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.024 -0.990 -2.015 1.00 0.00 H new ATOM 1275 N TYR A 79 8.987 -3.134 -0.379 1.00 0.00 N ATOM 1276 CA TYR A 79 8.805 -4.239 -1.304 1.00 0.00 C ATOM 1277 C TYR A 79 7.769 -5.233 -0.775 1.00 0.00 C ATOM 1278 O TYR A 79 6.919 -5.709 -1.526 1.00 0.00 O ATOM 1279 CB TYR A 79 10.163 -4.937 -1.399 1.00 0.00 C ATOM 1280 CG TYR A 79 10.152 -6.204 -2.258 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.846 -7.423 -1.689 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.449 -6.126 -3.604 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.836 -8.613 -2.497 1.00 0.00 C ATOM 1284 CE2 TYR A 79 10.439 -7.317 -4.414 1.00 0.00 C ATOM 1285 CZ TYR A 79 10.134 -8.502 -3.820 1.00 0.00 C ATOM 1286 OH TYR A 79 10.124 -9.628 -4.584 1.00 0.00 O ATOM 0 H TYR A 79 9.949 -2.989 -0.072 1.00 0.00 H new ATOM 0 HA TYR A 79 8.453 -3.877 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.892 -4.238 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.499 -5.194 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.614 -7.484 -0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.689 -5.172 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.597 -9.573 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.668 -7.270 -5.468 1.00 0.00 H new ATOM 0 HH TYR A 79 10.354 -9.398 -5.508 1.00 0.00 H new ATOM 1296 N ASN A 80 7.874 -5.517 0.515 1.00 0.00 N ATOM 1297 CA ASN A 80 6.957 -6.445 1.154 1.00 0.00 C ATOM 1298 C ASN A 80 5.547 -5.850 1.146 1.00 0.00 C ATOM 1299 O ASN A 80 4.577 -6.549 0.860 1.00 0.00 O ATOM 1300 CB ASN A 80 7.355 -6.698 2.610 1.00 0.00 C ATOM 1301 CG ASN A 80 7.778 -8.154 2.817 1.00 0.00 C ATOM 1302 OD1 ASN A 80 6.990 -9.079 2.707 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.064 -8.305 3.122 1.00 0.00 N ATOM 0 H ASN A 80 8.580 -5.121 1.135 1.00 0.00 H new ATOM 0 HA ASN A 80 6.990 -7.385 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.174 -6.035 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.517 -6.462 3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.445 -9.238 3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.669 -7.488 3.198 1.00 0.00 H new ATOM 1310 N THR A 81 5.480 -4.566 1.465 1.00 0.00 N ATOM 1311 CA THR A 81 4.206 -3.868 1.498 1.00 0.00 C ATOM 1312 C THR A 81 3.547 -3.897 0.118 1.00 0.00 C ATOM 1313 O THR A 81 2.339 -4.099 0.007 1.00 0.00 O ATOM 1314 CB THR A 81 4.455 -2.453 2.024 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.346 -2.642 3.119 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.207 -1.839 2.662 1.00 0.00 C ATOM 0 H THR A 81 6.288 -3.990 1.703 1.00 0.00 H new ATOM 0 HA THR A 81 3.502 -4.360 2.170 1.00 0.00 H new ATOM 0 HB THR A 81 4.797 -1.817 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.270 -2.525 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.437 -0.835 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.408 -1.787 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.885 -2.457 3.500 1.00 0.00 H new ATOM 1324 N ILE A 82 4.370 -3.690 -0.900 1.00 0.00 N ATOM 1325 CA ILE A 82 3.881 -3.688 -2.269 1.00 0.00 C ATOM 1326 C ILE A 82 3.352 -5.081 -2.618 1.00 0.00 C ATOM 1327 O ILE A 82 2.309 -5.209 -3.260 1.00 0.00 O ATOM 1328 CB ILE A 82 4.967 -3.187 -3.224 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.344 -1.737 -2.913 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.539 -3.367 -4.682 1.00 0.00 C ATOM 1331 CD1 ILE A 82 4.264 -0.772 -3.404 1.00 0.00 C ATOM 0 H ILE A 82 5.372 -3.523 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 82 3.048 -2.993 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 82 5.861 -3.792 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.483 -1.616 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.295 -1.495 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.328 -3.003 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.359 -4.424 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.625 -2.802 -4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.557 0.252 -3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.144 -0.878 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.320 -1.001 -2.910 1.00 0.00 H new ATOM 1343 N ALA A 83 4.092 -6.088 -2.179 1.00 0.00 N ATOM 1344 CA ALA A 83 3.709 -7.466 -2.437 1.00 0.00 C ATOM 1345 C ALA A 83 2.303 -7.711 -1.886 1.00 0.00 C ATOM 1346 O ALA A 83 1.444 -8.251 -2.583 1.00 0.00 O ATOM 1347 CB ALA A 83 4.747 -8.407 -1.825 1.00 0.00 C ATOM 0 H ALA A 83 4.955 -5.978 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 83 3.682 -7.663 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.460 -9.441 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.722 -8.212 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.800 -8.240 -0.749 1.00 0.00 H new ATOM 1353 N VAL A 84 2.110 -7.304 -0.640 1.00 0.00 N ATOM 1354 CA VAL A 84 0.823 -7.473 0.012 1.00 0.00 C ATOM 1355 C VAL A 84 -0.223 -6.615 -0.703 1.00 0.00 C ATOM 1356 O VAL A 84 -1.399 -6.972 -0.746 1.00 0.00 O ATOM 1357 CB VAL A 84 0.945 -7.149 1.502 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.397 -6.691 2.076 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.494 -8.346 2.280 1.00 0.00 C ATOM 0 H VAL A 84 2.824 -6.857 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 84 0.494 -8.510 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 84 1.653 -6.327 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.282 -6.467 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.731 -5.796 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.136 -7.483 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.571 -8.089 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.822 -9.196 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.481 -8.607 1.897 1.00 0.00 H new ATOM 1369 N LEU A 85 0.244 -5.499 -1.244 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.636 -4.588 -1.954 1.00 0.00 C ATOM 1371 C LEU A 85 -1.115 -5.250 -3.247 1.00 0.00 C ATOM 1372 O LEU A 85 -2.225 -4.991 -3.708 1.00 0.00 O ATOM 1373 CB LEU A 85 0.052 -3.239 -2.173 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.868 -2.060 -2.496 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.330 -1.359 -1.218 1.00 0.00 C ATOM 1376 CD2 LEU A 85 -0.194 -1.090 -3.470 1.00 0.00 C ATOM 0 H LEU A 85 1.220 -5.206 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.523 -4.375 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.621 -2.994 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.769 -3.348 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.759 -2.447 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.983 -0.525 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.875 -2.066 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.462 -0.986 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.869 -0.261 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.723 -0.706 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.044 -1.612 -4.397 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.253 -6.094 -3.796 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.574 -6.796 -5.027 1.00 0.00 C ATOM 1390 C TYR A 86 -1.542 -7.952 -4.764 1.00 0.00 C ATOM 1391 O TYR A 86 -2.494 -8.152 -5.516 1.00 0.00 O ATOM 1392 CB TYR A 86 0.749 -7.364 -5.545 1.00 0.00 C ATOM 1393 CG TYR A 86 0.609 -8.212 -6.811 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.376 -7.603 -8.027 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.716 -9.586 -6.737 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.244 -8.400 -9.219 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.583 -10.384 -7.929 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.354 -9.752 -9.111 1.00 0.00 C ATOM 1399 OH TYR A 86 0.229 -10.505 -10.236 1.00 0.00 O ATOM 0 H TYR A 86 0.667 -6.307 -3.411 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.049 -6.122 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.433 -6.539 -5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.203 -7.971 -4.762 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.293 -6.528 -8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.899 -10.063 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.062 -7.935 -10.177 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.663 -11.460 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 86 0.331 -11.453 -10.008 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.265 -8.680 -3.692 1.00 0.00 N ATOM 1410 CA CYS A 87 -2.099 -9.810 -3.319 1.00 0.00 C ATOM 1411 C CYS A 87 -3.513 -9.292 -3.041 1.00 0.00 C ATOM 1412 O CYS A 87 -4.496 -9.925 -3.423 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.524 -10.568 -2.121 1.00 0.00 C ATOM 1414 SG CYS A 87 -1.936 -9.692 -0.568 1.00 0.00 S ATOM 0 H CYS A 87 -0.475 -8.509 -3.070 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.130 -10.528 -4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.926 -11.581 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.442 -10.657 -2.222 1.00 0.00 H new ATOM 0 HG CYS A 87 -1.748 -8.416 -0.727 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.569 -8.145 -2.380 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.845 -7.535 -2.047 1.00 0.00 C ATOM 1422 C VAL A 88 -5.485 -6.975 -3.319 1.00 0.00 C ATOM 1423 O VAL A 88 -6.668 -7.200 -3.572 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.650 -6.476 -0.959 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -4.669 -5.067 -1.556 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -5.705 -6.620 0.141 1.00 0.00 C ATOM 0 H VAL A 88 -2.751 -7.622 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.530 -8.279 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.671 -6.635 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.528 -4.334 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.865 -4.970 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.627 -4.892 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.544 -5.856 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.699 -6.499 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.624 -7.607 0.596 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.676 -6.259 -4.085 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.148 -5.666 -5.323 1.00 0.00 C ATOM 1438 C HIS A 89 -5.775 -6.749 -6.204 1.00 0.00 C ATOM 1439 O HIS A 89 -6.698 -6.474 -6.971 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.022 -4.907 -6.028 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.810 -3.503 -5.511 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.845 -2.597 -5.358 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.674 -2.861 -5.114 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -4.343 -1.464 -4.890 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -2.997 -1.631 -4.741 1.00 0.00 N ATOM 0 H HIS A 89 -3.695 -6.076 -3.871 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.922 -4.930 -5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.094 -5.468 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.241 -4.861 -7.095 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -5.827 -2.772 -5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.680 -3.283 -5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.901 -0.567 -4.666 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.250 -7.957 -6.066 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.745 -9.082 -6.839 1.00 0.00 C ATOM 1456 C GLN A 90 -6.871 -9.791 -6.083 1.00 0.00 C ATOM 1457 O GLN A 90 -7.625 -10.566 -6.670 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.615 -10.056 -7.179 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.737 -10.558 -8.618 1.00 0.00 C ATOM 1460 CD GLN A 90 -3.405 -10.428 -9.359 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -2.511 -9.700 -8.959 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -3.323 -11.172 -10.459 1.00 0.00 N ATOM 0 H GLN A 90 -4.485 -8.181 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.147 -8.702 -7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.652 -9.563 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.640 -10.902 -6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.057 -11.600 -8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.505 -9.989 -9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.109 -11.760 -10.737 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.474 -11.155 -11.024 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.950 -9.498 -4.794 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.972 -10.098 -3.951 1.00 0.00 C ATOM 1473 C ARG A 91 -7.529 -11.486 -3.488 1.00 0.00 C ATOM 1474 O ARG A 91 -8.271 -12.457 -3.626 1.00 0.00 O ATOM 1475 CB ARG A 91 -9.301 -10.217 -4.700 1.00 0.00 C ATOM 1476 CG ARG A 91 -9.564 -8.977 -5.555 1.00 0.00 C ATOM 1477 CD ARG A 91 -11.014 -8.512 -5.417 1.00 0.00 C ATOM 1478 NE ARG A 91 -11.229 -7.911 -4.081 1.00 0.00 N ATOM 1479 CZ ARG A 91 -12.435 -7.675 -3.549 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -13.544 -7.986 -4.235 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -12.535 -7.127 -2.330 1.00 0.00 N ATOM 0 H ARG A 91 -6.324 -8.853 -4.312 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.112 -9.451 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.286 -11.103 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.114 -10.349 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.891 -8.174 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.348 -9.199 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.246 -7.784 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.690 -9.355 -5.558 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.407 -7.661 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.470 -8.403 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.462 -7.806 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.692 -6.889 -1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.454 -6.947 -1.925 1.00 0.00 H new ATOM 1495 N ILE A 92 -6.321 -11.537 -2.945 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.770 -12.791 -2.459 1.00 0.00 C ATOM 1497 C ILE A 92 -5.700 -12.753 -0.932 1.00 0.00 C ATOM 1498 O ILE A 92 -5.221 -11.781 -0.351 1.00 0.00 O ATOM 1499 CB ILE A 92 -4.426 -13.080 -3.129 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.605 -13.349 -4.625 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.698 -14.227 -2.423 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -3.462 -12.735 -5.434 1.00 0.00 C ATOM 0 H ILE A 92 -5.708 -10.730 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.420 -13.623 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.799 -12.193 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.644 -14.424 -4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.556 -12.936 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.745 -14.413 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.519 -13.958 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.311 -15.128 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.614 -12.941 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.441 -11.657 -5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.515 -13.168 -5.113 1.00 0.00 H new ATOM 1514 N ASP A 93 -6.186 -13.825 -0.322 1.00 0.00 N ATOM 1515 CA ASP A 93 -6.185 -13.928 1.127 1.00 0.00 C ATOM 1516 C ASP A 93 -4.753 -13.772 1.644 1.00 0.00 C ATOM 1517 O ASP A 93 -3.808 -14.252 1.019 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.706 -15.292 1.583 1.00 0.00 C ATOM 1519 CG ASP A 93 -5.827 -16.482 1.197 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -5.580 -16.636 -0.019 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -5.421 -17.213 2.126 1.00 0.00 O ATOM 0 H ASP A 93 -6.583 -14.630 -0.806 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.833 -13.145 1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.816 -15.278 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.701 -15.443 1.163 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.638 -13.099 2.779 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.337 -12.874 3.387 1.00 0.00 C ATOM 1528 C VAL A 94 -3.482 -12.885 4.910 1.00 0.00 C ATOM 1529 O VAL A 94 -4.596 -12.907 5.432 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.729 -11.575 2.854 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.875 -11.839 1.611 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.816 -10.539 2.563 1.00 0.00 C ATOM 0 H VAL A 94 -5.424 -12.702 3.294 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.647 -13.674 3.120 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.078 -11.168 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.455 -10.900 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.067 -12.525 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.495 -12.281 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.356 -9.626 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.505 -10.934 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.363 -10.318 3.480 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.340 -12.871 5.582 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.325 -12.879 7.035 1.00 0.00 C ATOM 1544 C LYS A 95 -1.088 -12.130 7.532 1.00 0.00 C ATOM 1545 O LYS A 95 -1.183 -11.292 8.427 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.432 -14.311 7.562 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.643 -14.467 8.484 1.00 0.00 C ATOM 1548 CD LYS A 95 -4.794 -15.170 7.762 1.00 0.00 C ATOM 1549 CE LYS A 95 -6.123 -14.462 8.030 1.00 0.00 C ATOM 1550 NZ LYS A 95 -7.228 -15.445 8.102 1.00 0.00 N ATOM 0 H LYS A 95 -1.418 -12.854 5.146 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.194 -12.353 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.516 -15.005 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.522 -14.572 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.360 -15.038 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.970 -13.486 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.598 -15.189 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.857 -16.207 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.063 -13.904 8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.323 -13.739 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.123 -14.948 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.295 -15.959 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.043 -16.119 8.872 1.00 0.00 H new ATOM 1564 N ASP A 96 0.046 -12.459 6.930 1.00 0.00 N ATOM 1565 CA ASP A 96 1.301 -11.828 7.300 1.00 0.00 C ATOM 1566 C ASP A 96 2.129 -11.569 6.040 1.00 0.00 C ATOM 1567 O ASP A 96 1.909 -12.201 5.008 1.00 0.00 O ATOM 1568 CB ASP A 96 2.119 -12.730 8.226 1.00 0.00 C ATOM 1569 CG ASP A 96 1.925 -14.232 8.003 1.00 0.00 C ATOM 1570 OD1 ASP A 96 0.965 -14.774 8.593 1.00 0.00 O ATOM 1571 OD2 ASP A 96 2.739 -14.804 7.248 1.00 0.00 O ATOM 0 H ASP A 96 0.121 -13.155 6.188 1.00 0.00 H new ATOM 0 HA ASP A 96 1.070 -10.896 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.175 -12.493 8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.861 -12.495 9.259 1.00 0.00 H new ATOM 1576 N THR A 97 3.063 -10.638 6.165 1.00 0.00 N ATOM 1577 CA THR A 97 3.925 -10.288 5.049 1.00 0.00 C ATOM 1578 C THR A 97 4.720 -11.511 4.585 1.00 0.00 C ATOM 1579 O THR A 97 5.092 -11.607 3.416 1.00 0.00 O ATOM 1580 CB THR A 97 4.809 -9.117 5.483 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.128 -9.408 6.841 1.00 0.00 O ATOM 1582 CG2 THR A 97 4.039 -7.798 5.555 1.00 0.00 C ATOM 0 H THR A 97 3.242 -10.115 7.022 1.00 0.00 H new ATOM 0 HA THR A 97 3.343 -9.971 4.184 1.00 0.00 H new ATOM 0 HB THR A 97 5.642 -9.013 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.357 -8.578 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.713 -7.000 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.628 -7.562 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.226 -7.890 6.276 1.00 0.00 H new ATOM 1590 N LYS A 98 4.958 -12.414 5.524 1.00 0.00 N ATOM 1591 CA LYS A 98 5.702 -13.625 5.227 1.00 0.00 C ATOM 1592 C LYS A 98 4.881 -14.502 4.279 1.00 0.00 C ATOM 1593 O LYS A 98 5.412 -15.033 3.304 1.00 0.00 O ATOM 1594 CB LYS A 98 6.112 -14.333 6.519 1.00 0.00 C ATOM 1595 CG LYS A 98 6.905 -15.608 6.219 1.00 0.00 C ATOM 1596 CD LYS A 98 6.487 -16.745 7.153 1.00 0.00 C ATOM 1597 CE LYS A 98 5.222 -17.438 6.643 1.00 0.00 C ATOM 1598 NZ LYS A 98 5.290 -18.894 6.899 1.00 0.00 N ATOM 0 H LYS A 98 4.648 -12.331 6.492 1.00 0.00 H new ATOM 0 HA LYS A 98 6.633 -13.384 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.715 -13.661 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.223 -14.581 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.744 -15.906 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.971 -15.413 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.296 -17.471 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.312 -16.352 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.346 -17.017 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.106 -17.256 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.424 -19.349 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.115 -19.294 6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.379 -19.063 7.921 1.00 0.00 H new ATOM 1612 N GLU A 99 3.601 -14.628 4.599 1.00 0.00 N ATOM 1613 CA GLU A 99 2.703 -15.431 3.787 1.00 0.00 C ATOM 1614 C GLU A 99 2.496 -14.778 2.420 1.00 0.00 C ATOM 1615 O GLU A 99 2.513 -15.458 1.394 1.00 0.00 O ATOM 1616 CB GLU A 99 1.367 -15.647 4.500 1.00 0.00 C ATOM 1617 CG GLU A 99 0.920 -17.107 4.398 1.00 0.00 C ATOM 1618 CD GLU A 99 0.279 -17.390 3.037 1.00 0.00 C ATOM 1619 OE1 GLU A 99 1.052 -17.531 2.065 1.00 0.00 O ATOM 1620 OE2 GLU A 99 -0.968 -17.461 3.000 1.00 0.00 O ATOM 0 H GLU A 99 3.165 -14.188 5.409 1.00 0.00 H new ATOM 0 HA GLU A 99 3.159 -16.409 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.461 -15.364 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.608 -14.999 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.777 -17.765 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.208 -17.330 5.193 1.00 0.00 H new ATOM 1627 N ALA A 100 2.305 -13.468 2.448 1.00 0.00 N ATOM 1628 CA ALA A 100 2.093 -12.715 1.222 1.00 0.00 C ATOM 1629 C ALA A 100 3.286 -12.929 0.287 1.00 0.00 C ATOM 1630 O ALA A 100 3.108 -13.251 -0.887 1.00 0.00 O ATOM 1631 CB ALA A 100 1.876 -11.239 1.561 1.00 0.00 C ATOM 0 H ALA A 100 2.292 -12.908 3.300 1.00 0.00 H new ATOM 0 HA ALA A 100 1.200 -13.065 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.717 -10.674 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.002 -11.138 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.754 -10.851 2.078 1.00 0.00 H new ATOM 1637 N LEU A 101 4.474 -12.742 0.842 1.00 0.00 N ATOM 1638 CA LEU A 101 5.694 -12.910 0.072 1.00 0.00 C ATOM 1639 C LEU A 101 5.803 -14.364 -0.393 1.00 0.00 C ATOM 1640 O LEU A 101 6.288 -14.634 -1.490 1.00 0.00 O ATOM 1641 CB LEU A 101 6.905 -12.429 0.874 1.00 0.00 C ATOM 1642 CG LEU A 101 7.773 -11.362 0.204 1.00 0.00 C ATOM 1643 CD1 LEU A 101 6.935 -10.145 -0.194 1.00 0.00 C ATOM 1644 CD2 LEU A 101 8.954 -10.977 1.096 1.00 0.00 C ATOM 0 H LEU A 101 4.618 -12.476 1.816 1.00 0.00 H new ATOM 0 HA LEU A 101 5.667 -12.289 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.551 -12.035 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.533 -13.291 1.098 1.00 0.00 H new ATOM 0 HG LEU A 101 8.186 -11.783 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.576 -9.401 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.157 -10.452 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.475 -9.714 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.555 -10.217 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.582 -10.582 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.568 -11.857 1.287 1.00 0.00 H new ATOM 1656 N ASP A 102 5.343 -15.262 0.466 1.00 0.00 N ATOM 1657 CA ASP A 102 5.382 -16.681 0.158 1.00 0.00 C ATOM 1658 C ASP A 102 4.441 -16.971 -1.013 1.00 0.00 C ATOM 1659 O ASP A 102 4.713 -17.849 -1.831 1.00 0.00 O ATOM 1660 CB ASP A 102 4.921 -17.518 1.353 1.00 0.00 C ATOM 1661 CG ASP A 102 4.525 -18.958 1.021 1.00 0.00 C ATOM 1662 OD1 ASP A 102 5.438 -19.725 0.646 1.00 0.00 O ATOM 1663 OD2 ASP A 102 3.318 -19.259 1.149 1.00 0.00 O ATOM 0 H ASP A 102 4.941 -15.034 1.375 1.00 0.00 H new ATOM 0 HA ASP A 102 6.410 -16.943 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.721 -17.539 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.070 -17.021 1.818 1.00 0.00 H new ATOM 1668 N LYS A 103 3.354 -16.216 -1.057 1.00 0.00 N ATOM 1669 CA LYS A 103 2.371 -16.380 -2.115 1.00 0.00 C ATOM 1670 C LYS A 103 2.962 -15.886 -3.436 1.00 0.00 C ATOM 1671 O LYS A 103 2.874 -16.570 -4.454 1.00 0.00 O ATOM 1672 CB LYS A 103 1.056 -15.695 -1.735 1.00 0.00 C ATOM 1673 CG LYS A 103 -0.133 -16.630 -1.959 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.460 -16.756 -3.448 1.00 0.00 C ATOM 1675 CE LYS A 103 -1.434 -17.910 -3.701 1.00 0.00 C ATOM 1676 NZ LYS A 103 -2.007 -17.815 -5.062 1.00 0.00 N ATOM 0 H LYS A 103 3.132 -15.489 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 103 2.128 -17.434 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.090 -15.388 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.928 -14.790 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.092 -17.614 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.003 -16.252 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.894 -15.824 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.458 -16.920 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.917 -18.862 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.234 -17.888 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.665 -18.605 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.517 -16.914 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.242 -17.859 -5.765 1.00 0.00 H new ATOM 1690 N ILE A 104 3.552 -14.701 -3.378 1.00 0.00 N ATOM 1691 CA ILE A 104 4.158 -14.107 -4.557 1.00 0.00 C ATOM 1692 C ILE A 104 5.209 -15.066 -5.122 1.00 0.00 C ATOM 1693 O ILE A 104 5.290 -15.260 -6.334 1.00 0.00 O ATOM 1694 CB ILE A 104 4.706 -12.715 -4.236 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.602 -11.805 -3.692 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.403 -12.106 -5.454 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.601 -11.442 -4.790 1.00 0.00 C ATOM 0 H ILE A 104 3.623 -14.136 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 104 3.410 -13.957 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 104 5.457 -12.815 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.084 -12.305 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.043 -10.896 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.783 -11.117 -5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.232 -12.746 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.692 -12.020 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.827 -10.795 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.118 -10.921 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.144 -12.351 -5.180 1.00 0.00 H new ATOM 1709 N GLU A 105 5.989 -15.639 -4.217 1.00 0.00 N ATOM 1710 CA GLU A 105 7.031 -16.572 -4.609 1.00 0.00 C ATOM 1711 C GLU A 105 6.413 -17.834 -5.215 1.00 0.00 C ATOM 1712 O GLU A 105 6.932 -18.378 -6.189 1.00 0.00 O ATOM 1713 CB GLU A 105 7.933 -16.918 -3.423 1.00 0.00 C ATOM 1714 CG GLU A 105 9.267 -16.175 -3.514 1.00 0.00 C ATOM 1715 CD GLU A 105 10.397 -16.998 -2.891 1.00 0.00 C ATOM 1716 OE1 GLU A 105 10.516 -18.181 -3.277 1.00 0.00 O ATOM 1717 OE2 GLU A 105 11.115 -16.426 -2.044 1.00 0.00 O ATOM 0 H GLU A 105 5.920 -15.475 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 105 7.652 -16.095 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.431 -16.658 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.112 -17.993 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.499 -15.964 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.188 -15.215 -3.004 1.00 0.00 H new