USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 43 GLN : amide:sc= -0.583 K(o=-0.58,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.046) USER MOD Single : A 11 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.8!) USER MOD Single : A 15 SER OG : rot 168:sc= 1.06 USER MOD Single : A 17 MET CE :methyl 166:sc= -1.98 (180deg=-2.68) USER MOD Single : A 18 MET CE :methyl 180:sc= -0.0831 (180deg=-0.0831) USER MOD Single : A 28 GLN : amide:sc= -0.724 K(o=-0.72,f=-1.8!) USER MOD Single : A 30 ASN : amide:sc=-0.00975 X(o=-0.0097,f=-0.094) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 51 CYS SG : rot -96:sc= 0.107 USER MOD Single : A 56 THR OG1 : rot 22:sc= 0.0052 USER MOD Single : A 57 SER OG : rot 180:sc= -0.941 USER MOD Single : A 59 THR OG1 : rot -64:sc= 1.44 USER MOD Single : A 62 TYR OH : rot -35:sc= -3.08! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.453 K(o=-0.45,f=-1.9!) USER MOD Single : A 73 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 150:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -107:sc= -0.651 (180deg=-1.99!) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.498 -6.582 7.031 1.00 0.00 N ATOM 93 CA TYR A 7 7.223 -5.922 6.865 1.00 0.00 C ATOM 94 C TYR A 7 6.075 -6.878 7.092 1.00 0.00 C ATOM 95 O TYR A 7 6.149 -8.063 6.770 1.00 0.00 O ATOM 96 CB TYR A 7 7.118 -5.238 5.499 1.00 0.00 C ATOM 97 CG TYR A 7 6.738 -6.134 4.347 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.701 -6.796 3.602 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.408 -6.296 3.992 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.344 -7.598 2.536 1.00 0.00 C ATOM 101 CE2 TYR A 7 5.047 -7.091 2.934 1.00 0.00 C ATOM 102 CZ TYR A 7 6.015 -7.743 2.207 1.00 0.00 C ATOM 103 OH TYR A 7 5.653 -8.537 1.142 1.00 0.00 O ATOM 0 HA TYR A 7 7.158 -5.143 7.625 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.383 -4.437 5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.077 -4.772 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.744 -6.683 3.858 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.642 -5.787 4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.104 -8.109 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.005 -7.204 2.673 1.00 0.00 H new ATOM 0 HH TYR A 7 4.678 -8.532 1.047 1.00 0.00 H new ATOM 113 N GLN A 8 5.017 -6.335 7.651 1.00 0.00 N ATOM 114 CA GLN A 8 3.845 -7.107 7.975 1.00 0.00 C ATOM 115 C GLN A 8 2.610 -6.408 7.453 1.00 0.00 C ATOM 116 O GLN A 8 2.512 -5.178 7.461 1.00 0.00 O ATOM 117 CB GLN A 8 3.718 -7.334 9.480 1.00 0.00 C ATOM 118 CG GLN A 8 4.859 -8.149 10.079 1.00 0.00 C ATOM 119 CD GLN A 8 4.609 -8.552 11.521 1.00 0.00 C ATOM 120 OE1 GLN A 8 5.539 -8.666 12.321 1.00 0.00 O ATOM 121 NE2 GLN A 8 3.354 -8.792 11.858 1.00 0.00 N ATOM 0 H GLN A 8 4.948 -5.346 7.893 1.00 0.00 H new ATOM 0 HA GLN A 8 3.944 -8.082 7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.673 -6.367 9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.775 -7.842 9.683 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.011 -9.046 9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.780 -7.569 10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.611 -8.686 11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.128 -9.083 12.809 1.00 0.00 H new ATOM 130 N ILE A 9 1.685 -7.207 6.995 1.00 0.00 N ATOM 131 CA ILE A 9 0.455 -6.717 6.417 1.00 0.00 C ATOM 132 C ILE A 9 -0.705 -6.935 7.373 1.00 0.00 C ATOM 133 O ILE A 9 -0.996 -8.065 7.772 1.00 0.00 O ATOM 134 CB ILE A 9 0.173 -7.402 5.069 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.277 -7.027 4.077 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.199 -7.008 4.547 1.00 0.00 C ATOM 137 CD1 ILE A 9 1.019 -7.468 2.657 1.00 0.00 C ATOM 0 H ILE A 9 1.760 -8.224 7.011 1.00 0.00 H new ATOM 0 HA ILE A 9 0.565 -5.647 6.240 1.00 0.00 H new ATOM 0 HB ILE A 9 0.171 -8.484 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.407 -5.945 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.216 -7.465 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.381 -7.502 3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.962 -7.311 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.239 -5.927 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.851 -7.161 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.920 -8.553 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.099 -7.009 2.295 1.00 0.00 H new ATOM 149 N GLU A 10 -1.351 -5.845 7.740 1.00 0.00 N ATOM 150 CA GLU A 10 -2.428 -5.876 8.708 1.00 0.00 C ATOM 151 C GLU A 10 -3.745 -5.508 8.042 1.00 0.00 C ATOM 152 O GLU A 10 -3.767 -4.947 6.941 1.00 0.00 O ATOM 153 CB GLU A 10 -2.129 -4.885 9.835 1.00 0.00 C ATOM 154 CG GLU A 10 -2.362 -3.433 9.439 1.00 0.00 C ATOM 155 CD GLU A 10 -1.767 -2.450 10.419 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.411 -2.156 11.446 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.648 -1.963 10.162 1.00 0.00 O ATOM 0 H GLU A 10 -1.144 -4.915 7.376 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.509 -6.883 9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.754 -5.124 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.093 -5.006 10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.933 -3.258 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.434 -3.252 9.357 1.00 0.00 H new ATOM 164 N GLN A 11 -4.838 -5.821 8.707 1.00 0.00 N ATOM 165 CA GLN A 11 -6.140 -5.394 8.249 1.00 0.00 C ATOM 166 C GLN A 11 -6.501 -4.080 8.915 1.00 0.00 C ATOM 167 O GLN A 11 -6.459 -3.952 10.137 1.00 0.00 O ATOM 168 CB GLN A 11 -7.190 -6.468 8.524 1.00 0.00 C ATOM 169 CG GLN A 11 -8.629 -6.003 8.315 1.00 0.00 C ATOM 170 CD GLN A 11 -8.843 -5.330 6.971 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.667 -4.426 6.838 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.103 -5.762 5.966 1.00 0.00 N ATOM 0 H GLN A 11 -4.849 -6.370 9.567 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.112 -5.241 7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.998 -7.323 7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.078 -6.816 9.551 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.298 -6.860 8.397 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.900 -5.309 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.430 -6.514 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.205 -5.344 5.041 1.00 0.00 H new ATOM 181 N LEU A 12 -6.838 -3.108 8.079 1.00 0.00 N ATOM 182 CA LEU A 12 -7.105 -1.750 8.524 1.00 0.00 C ATOM 183 C LEU A 12 -8.350 -1.704 9.402 1.00 0.00 C ATOM 184 O LEU A 12 -8.367 -1.036 10.434 1.00 0.00 O ATOM 185 CB LEU A 12 -7.305 -0.862 7.302 1.00 0.00 C ATOM 186 CG LEU A 12 -6.726 0.551 7.370 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.094 0.841 8.727 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.704 0.733 6.260 1.00 0.00 C ATOM 0 H LEU A 12 -6.934 -3.240 7.072 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.259 -1.395 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.867 -1.367 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.376 -0.781 7.113 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.543 1.260 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.695 1.855 8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.848 0.743 9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.287 0.132 8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.291 1.740 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.902 0.005 6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.186 0.584 5.294 1.00 0.00 H new ATOM 200 N GLY A 13 -9.389 -2.411 8.975 1.00 0.00 N ATOM 201 CA GLY A 13 -10.613 -2.472 9.737 1.00 0.00 C ATOM 202 C GLY A 13 -11.691 -3.219 8.988 1.00 0.00 C ATOM 203 O GLY A 13 -12.089 -4.315 9.381 1.00 0.00 O ATOM 0 H GLY A 13 -9.401 -2.946 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.425 -2.962 10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.956 -1.461 9.960 1.00 0.00 H new ATOM 207 N ASP A 14 -12.146 -2.635 7.890 1.00 0.00 N ATOM 208 CA ASP A 14 -13.198 -3.239 7.083 1.00 0.00 C ATOM 209 C ASP A 14 -12.687 -3.637 5.709 1.00 0.00 C ATOM 210 O ASP A 14 -12.536 -4.820 5.403 1.00 0.00 O ATOM 211 CB ASP A 14 -14.368 -2.279 6.917 1.00 0.00 C ATOM 212 CG ASP A 14 -15.092 -2.005 8.214 1.00 0.00 C ATOM 213 OD1 ASP A 14 -16.017 -2.772 8.549 1.00 0.00 O ATOM 214 OD2 ASP A 14 -14.744 -1.019 8.900 1.00 0.00 O ATOM 0 H ASP A 14 -11.803 -1.742 7.536 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.530 -4.134 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.004 -1.338 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.071 -2.693 6.195 1.00 0.00 H new ATOM 219 N SER A 15 -12.413 -2.639 4.886 1.00 0.00 N ATOM 220 CA SER A 15 -12.051 -2.872 3.499 1.00 0.00 C ATOM 221 C SER A 15 -10.868 -2.007 3.117 1.00 0.00 C ATOM 222 O SER A 15 -10.886 -1.282 2.122 1.00 0.00 O ATOM 223 CB SER A 15 -13.245 -2.592 2.592 1.00 0.00 C ATOM 224 OG SER A 15 -13.835 -1.329 2.879 1.00 0.00 O ATOM 0 H SER A 15 -12.435 -1.656 5.156 1.00 0.00 H new ATOM 0 HA SER A 15 -11.765 -3.916 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.925 -2.617 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.989 -3.379 2.716 1.00 0.00 H new ATOM 0 HG SER A 15 -14.469 -1.095 2.169 1.00 0.00 H new ATOM 230 N ALA A 16 -9.848 -2.084 3.937 1.00 0.00 N ATOM 231 CA ALA A 16 -8.619 -1.366 3.700 1.00 0.00 C ATOM 232 C ALA A 16 -7.460 -2.173 4.251 1.00 0.00 C ATOM 233 O ALA A 16 -7.628 -2.957 5.185 1.00 0.00 O ATOM 234 CB ALA A 16 -8.676 0.020 4.326 1.00 0.00 C ATOM 0 H ALA A 16 -9.846 -2.646 4.788 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.477 -1.230 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.739 0.544 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.502 0.582 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.828 -0.072 5.401 1.00 0.00 H new ATOM 240 N MET A 17 -6.301 -2.006 3.665 1.00 0.00 N ATOM 241 CA MET A 17 -5.130 -2.791 4.063 1.00 0.00 C ATOM 242 C MET A 17 -3.950 -1.892 4.389 1.00 0.00 C ATOM 243 O MET A 17 -3.591 -1.033 3.600 1.00 0.00 O ATOM 244 CB MET A 17 -4.759 -3.764 2.943 1.00 0.00 C ATOM 245 CG MET A 17 -3.408 -4.426 3.115 1.00 0.00 C ATOM 246 SD MET A 17 -3.125 -5.739 1.920 1.00 0.00 S ATOM 247 CE MET A 17 -3.337 -4.840 0.391 1.00 0.00 C ATOM 0 H MET A 17 -6.130 -1.339 2.912 1.00 0.00 H new ATOM 0 HA MET A 17 -5.381 -3.352 4.963 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.524 -4.538 2.881 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.770 -3.228 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.624 -3.675 3.017 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.333 -4.835 4.123 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.956 -5.437 -0.438 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.396 -4.635 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.789 -3.899 0.443 1.00 0.00 H new ATOM 257 N MET A 18 -3.342 -2.084 5.550 1.00 0.00 N ATOM 258 CA MET A 18 -2.166 -1.297 5.899 1.00 0.00 C ATOM 259 C MET A 18 -0.955 -2.205 6.098 1.00 0.00 C ATOM 260 O MET A 18 -1.066 -3.290 6.663 1.00 0.00 O ATOM 261 CB MET A 18 -2.414 -0.425 7.135 1.00 0.00 C ATOM 262 CG MET A 18 -1.235 0.474 7.480 1.00 0.00 C ATOM 263 SD MET A 18 -1.700 1.910 8.467 1.00 0.00 S ATOM 264 CE MET A 18 -2.340 1.121 9.938 1.00 0.00 C ATOM 0 H MET A 18 -3.634 -2.762 6.254 1.00 0.00 H new ATOM 0 HA MET A 18 -1.957 -0.623 5.068 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.296 0.192 6.965 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.634 -1.068 7.987 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.491 -0.107 8.024 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.763 0.813 6.558 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.669 1.882 10.646 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.184 0.485 9.672 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.558 0.514 10.395 1.00 0.00 H new ATOM 274 N ILE A 19 0.192 -1.769 5.602 1.00 0.00 N ATOM 275 CA ILE A 19 1.407 -2.572 5.652 1.00 0.00 C ATOM 276 C ILE A 19 2.551 -1.793 6.288 1.00 0.00 C ATOM 277 O ILE A 19 2.893 -0.711 5.825 1.00 0.00 O ATOM 278 CB ILE A 19 1.828 -2.986 4.229 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.691 -3.709 3.523 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.060 -3.871 4.266 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.579 -3.346 2.062 1.00 0.00 C ATOM 0 H ILE A 19 0.309 -0.858 5.157 1.00 0.00 H new ATOM 0 HA ILE A 19 1.195 -3.456 6.254 1.00 0.00 H new ATOM 0 HB ILE A 19 2.068 -2.079 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.840 -4.785 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.248 -3.474 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.338 -4.150 3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.883 -3.329 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.845 -4.770 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.250 -3.894 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.401 -2.275 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.505 -3.607 1.550 1.00 0.00 H new ATOM 293 N ARG A 20 3.150 -2.342 7.336 1.00 0.00 N ATOM 294 CA ARG A 20 4.286 -1.690 7.981 1.00 0.00 C ATOM 295 C ARG A 20 5.564 -2.474 7.710 1.00 0.00 C ATOM 296 O ARG A 20 5.560 -3.700 7.753 1.00 0.00 O ATOM 297 CB ARG A 20 4.070 -1.535 9.498 1.00 0.00 C ATOM 298 CG ARG A 20 4.336 -2.790 10.328 1.00 0.00 C ATOM 299 CD ARG A 20 3.174 -3.773 10.297 1.00 0.00 C ATOM 300 NE ARG A 20 1.944 -3.178 10.809 1.00 0.00 N ATOM 301 CZ ARG A 20 1.731 -2.881 12.098 1.00 0.00 C ATOM 302 NH1 ARG A 20 2.617 -3.217 13.029 1.00 0.00 N ATOM 303 NH2 ARG A 20 0.612 -2.274 12.453 1.00 0.00 N ATOM 0 H ARG A 20 2.873 -3.229 7.756 1.00 0.00 H new ATOM 0 HA ARG A 20 4.378 -0.690 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.717 -0.736 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.042 -1.216 9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.234 -3.283 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.536 -2.502 11.360 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.014 -4.114 9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.426 -4.652 10.890 1.00 0.00 H new ATOM 0 HE ARG A 20 1.199 -2.975 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.472 -3.707 12.766 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.442 -2.985 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.084 -2.034 11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.444 -2.045 13.433 1.00 0.00 H new ATOM 317 N PHE A 21 6.642 -1.768 7.407 1.00 0.00 N ATOM 318 CA PHE A 21 7.937 -2.400 7.179 1.00 0.00 C ATOM 319 C PHE A 21 8.854 -2.113 8.358 1.00 0.00 C ATOM 320 O PHE A 21 8.396 -1.934 9.486 1.00 0.00 O ATOM 321 CB PHE A 21 8.599 -1.873 5.898 1.00 0.00 C ATOM 322 CG PHE A 21 7.770 -1.956 4.642 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.640 -1.174 4.483 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.149 -2.791 3.602 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.900 -1.224 3.325 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.406 -2.851 2.438 1.00 0.00 C ATOM 327 CZ PHE A 21 6.280 -2.065 2.299 1.00 0.00 C ATOM 0 H PHE A 21 6.648 -0.752 7.312 1.00 0.00 H new ATOM 0 HA PHE A 21 7.774 -3.472 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.876 -0.831 6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.524 -2.427 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.334 -0.514 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.034 -3.401 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.021 -0.605 3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.706 -3.512 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.698 -2.108 1.390 1.00 0.00 H new ATOM 422 N GLN A 28 15.469 1.833 2.593 1.00 0.00 N ATOM 423 CA GLN A 28 14.559 1.295 1.590 1.00 0.00 C ATOM 424 C GLN A 28 13.111 1.616 1.959 1.00 0.00 C ATOM 425 O GLN A 28 12.335 2.061 1.121 1.00 0.00 O ATOM 426 CB GLN A 28 14.772 -0.219 1.481 1.00 0.00 C ATOM 427 CG GLN A 28 14.195 -0.840 0.222 1.00 0.00 C ATOM 428 CD GLN A 28 12.701 -1.089 0.303 1.00 0.00 C ATOM 429 OE1 GLN A 28 12.152 -1.313 1.383 1.00 0.00 O ATOM 430 NE2 GLN A 28 12.042 -1.073 -0.843 1.00 0.00 N ATOM 0 HA GLN A 28 14.766 1.755 0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.841 -0.428 1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.323 -0.701 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.401 -0.185 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.703 -1.784 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.538 -0.883 -1.714 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.038 -1.251 -0.856 1.00 0.00 H new ATOM 439 N VAL A 29 12.771 1.432 3.228 1.00 0.00 N ATOM 440 CA VAL A 29 11.406 1.639 3.687 1.00 0.00 C ATOM 441 C VAL A 29 11.058 3.117 3.725 1.00 0.00 C ATOM 442 O VAL A 29 10.153 3.553 3.025 1.00 0.00 O ATOM 443 CB VAL A 29 11.178 1.032 5.082 1.00 0.00 C ATOM 444 CG1 VAL A 29 9.763 1.307 5.567 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.459 -0.457 5.058 1.00 0.00 C ATOM 0 H VAL A 29 13.422 1.140 3.957 1.00 0.00 H new ATOM 0 HA VAL A 29 10.756 1.134 2.973 1.00 0.00 H new ATOM 0 HB VAL A 29 11.869 1.503 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.625 0.868 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.600 2.383 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.048 0.867 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.294 -0.874 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.792 -0.942 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.494 -0.627 4.760 1.00 0.00 H new ATOM 455 N ASN A 30 11.799 3.874 4.534 1.00 0.00 N ATOM 456 CA ASN A 30 11.555 5.312 4.718 1.00 0.00 C ATOM 457 C ASN A 30 11.361 6.039 3.389 1.00 0.00 C ATOM 458 O ASN A 30 10.595 7.000 3.305 1.00 0.00 O ATOM 459 CB ASN A 30 12.709 5.964 5.486 1.00 0.00 C ATOM 460 CG ASN A 30 12.788 5.518 6.934 1.00 0.00 C ATOM 461 OD1 ASN A 30 12.174 6.110 7.815 1.00 0.00 O ATOM 462 ND2 ASN A 30 13.557 4.473 7.192 1.00 0.00 N ATOM 0 H ASN A 30 12.582 3.514 5.079 1.00 0.00 H new ATOM 0 HA ASN A 30 10.633 5.401 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.649 5.727 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.594 7.047 5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.654 4.135 8.150 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.053 4.005 6.433 1.00 0.00 H new ATOM 469 N GLY A 31 12.048 5.578 2.350 1.00 0.00 N ATOM 470 CA GLY A 31 11.923 6.199 1.054 1.00 0.00 C ATOM 471 C GLY A 31 10.789 5.609 0.239 1.00 0.00 C ATOM 472 O GLY A 31 10.002 6.344 -0.365 1.00 0.00 O ATOM 0 H GLY A 31 12.688 4.785 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.758 7.269 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.859 6.084 0.507 1.00 0.00 H new ATOM 476 N ILE A 32 10.680 4.287 0.242 1.00 0.00 N ATOM 477 CA ILE A 32 9.739 3.608 -0.635 1.00 0.00 C ATOM 478 C ILE A 32 8.323 3.622 -0.079 1.00 0.00 C ATOM 479 O ILE A 32 7.375 3.551 -0.839 1.00 0.00 O ATOM 480 CB ILE A 32 10.180 2.158 -0.958 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.194 1.945 -2.478 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.296 1.118 -0.269 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.837 2.090 -3.156 1.00 0.00 C ATOM 0 H ILE A 32 11.229 3.668 0.839 1.00 0.00 H new ATOM 0 HA ILE A 32 9.738 4.172 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 32 11.188 2.020 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.886 2.659 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.585 0.949 -2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.644 0.117 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.348 1.255 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.265 1.240 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.946 1.922 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.144 1.357 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.449 3.094 -2.983 1.00 0.00 H new ATOM 495 N VAL A 33 8.159 3.731 1.229 1.00 0.00 N ATOM 496 CA VAL A 33 6.820 3.814 1.790 1.00 0.00 C ATOM 497 C VAL A 33 6.208 5.162 1.428 1.00 0.00 C ATOM 498 O VAL A 33 5.002 5.288 1.246 1.00 0.00 O ATOM 499 CB VAL A 33 6.810 3.602 3.321 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.593 4.687 4.025 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.386 3.533 3.848 1.00 0.00 C ATOM 0 H VAL A 33 8.918 3.764 1.910 1.00 0.00 H new ATOM 0 HA VAL A 33 6.222 3.009 1.362 1.00 0.00 H new ATOM 0 HB VAL A 33 7.296 2.649 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.569 4.513 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.626 4.674 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.149 5.658 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.404 3.383 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.868 4.464 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.863 2.702 3.375 1.00 0.00 H new ATOM 511 N HIS A 34 7.066 6.163 1.277 1.00 0.00 N ATOM 512 CA HIS A 34 6.628 7.477 0.845 1.00 0.00 C ATOM 513 C HIS A 34 6.357 7.461 -0.658 1.00 0.00 C ATOM 514 O HIS A 34 5.478 8.167 -1.148 1.00 0.00 O ATOM 515 CB HIS A 34 7.682 8.536 1.194 1.00 0.00 C ATOM 516 CG HIS A 34 7.257 9.940 0.882 1.00 0.00 C ATOM 517 ND1 HIS A 34 7.817 10.691 -0.124 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.316 10.728 1.456 1.00 0.00 C ATOM 519 CE1 HIS A 34 7.240 11.879 -0.159 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.326 11.927 0.789 1.00 0.00 N ATOM 0 H HIS A 34 8.069 6.086 1.448 1.00 0.00 H new ATOM 0 HA HIS A 34 5.706 7.734 1.366 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.917 8.465 2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.600 8.315 0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.677 10.462 2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.477 12.676 -0.848 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.724 12.725 0.993 1.00 0.00 H new ATOM 529 N ALA A 35 7.107 6.632 -1.378 1.00 0.00 N ATOM 530 CA ALA A 35 6.950 6.521 -2.822 1.00 0.00 C ATOM 531 C ALA A 35 5.835 5.544 -3.176 1.00 0.00 C ATOM 532 O ALA A 35 5.246 5.628 -4.248 1.00 0.00 O ATOM 533 CB ALA A 35 8.258 6.090 -3.465 1.00 0.00 C ATOM 0 H ALA A 35 7.829 6.028 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 35 6.676 7.502 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.125 6.012 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.031 6.827 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.558 5.121 -3.065 1.00 0.00 H new ATOM 539 N ALA A 36 5.543 4.631 -2.254 1.00 0.00 N ATOM 540 CA ALA A 36 4.541 3.591 -2.464 1.00 0.00 C ATOM 541 C ALA A 36 3.163 4.194 -2.645 1.00 0.00 C ATOM 542 O ALA A 36 2.294 3.600 -3.277 1.00 0.00 O ATOM 543 CB ALA A 36 4.529 2.604 -1.304 1.00 0.00 C ATOM 0 H ALA A 36 5.994 4.591 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 36 4.808 3.055 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.774 1.839 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.508 2.133 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.296 3.132 -0.379 1.00 0.00 H new ATOM 549 N ALA A 37 2.977 5.390 -2.106 1.00 0.00 N ATOM 550 CA ALA A 37 1.721 6.087 -2.242 1.00 0.00 C ATOM 551 C ALA A 37 1.469 6.348 -3.715 1.00 0.00 C ATOM 552 O ALA A 37 0.368 6.157 -4.221 1.00 0.00 O ATOM 553 CB ALA A 37 1.753 7.393 -1.473 1.00 0.00 C ATOM 0 H ALA A 37 3.685 5.893 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 37 0.916 5.476 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.798 7.906 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.932 7.189 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.552 8.024 -1.861 1.00 0.00 H new ATOM 559 N ALA A 38 2.523 6.759 -4.402 1.00 0.00 N ATOM 560 CA ALA A 38 2.448 6.998 -5.827 1.00 0.00 C ATOM 561 C ALA A 38 2.631 5.699 -6.603 1.00 0.00 C ATOM 562 O ALA A 38 2.008 5.493 -7.637 1.00 0.00 O ATOM 563 CB ALA A 38 3.475 8.034 -6.254 1.00 0.00 C ATOM 0 H ALA A 38 3.440 6.933 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 38 1.457 7.391 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.401 8.198 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.286 8.971 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.475 7.677 -6.010 1.00 0.00 H new ATOM 569 N TYR A 39 3.473 4.817 -6.076 1.00 0.00 N ATOM 570 CA TYR A 39 3.751 3.527 -6.704 1.00 0.00 C ATOM 571 C TYR A 39 2.455 2.772 -7.002 1.00 0.00 C ATOM 572 O TYR A 39 2.278 2.226 -8.091 1.00 0.00 O ATOM 573 CB TYR A 39 4.646 2.684 -5.794 1.00 0.00 C ATOM 574 CG TYR A 39 5.231 1.462 -6.467 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.506 0.283 -6.569 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.515 1.491 -7.000 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.040 -0.829 -7.184 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.056 0.380 -7.616 1.00 0.00 C ATOM 579 CZ TYR A 39 6.313 -0.779 -7.706 1.00 0.00 C ATOM 580 OH TYR A 39 6.838 -1.891 -8.323 1.00 0.00 O ATOM 0 H TYR A 39 3.981 4.973 -5.205 1.00 0.00 H new ATOM 0 HA TYR A 39 4.265 3.711 -7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.460 3.307 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.068 2.366 -4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.508 0.236 -6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.099 2.397 -6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.461 -1.738 -7.256 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.055 0.418 -8.025 1.00 0.00 H new ATOM 0 HH TYR A 39 7.744 -1.693 -8.638 1.00 0.00 H new ATOM 590 N ILE A 40 1.541 2.764 -6.035 1.00 0.00 N ATOM 591 CA ILE A 40 0.300 2.025 -6.164 1.00 0.00 C ATOM 592 C ILE A 40 -0.645 2.700 -7.154 1.00 0.00 C ATOM 593 O ILE A 40 -1.380 2.032 -7.873 1.00 0.00 O ATOM 594 CB ILE A 40 -0.388 1.876 -4.792 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.517 1.085 -3.850 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.739 1.185 -4.926 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.165 1.251 -2.394 1.00 0.00 C ATOM 0 H ILE A 40 1.643 3.265 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 40 0.543 1.034 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.561 2.871 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.463 0.028 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.550 1.398 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.200 1.094 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.386 1.773 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.599 0.192 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.849 0.661 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.247 2.302 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.857 0.910 -2.226 1.00 0.00 H new ATOM 609 N GLU A 41 -0.607 4.023 -7.208 1.00 0.00 N ATOM 610 CA GLU A 41 -1.496 4.755 -8.096 1.00 0.00 C ATOM 611 C GLU A 41 -0.958 4.761 -9.528 1.00 0.00 C ATOM 612 O GLU A 41 -1.696 5.019 -10.479 1.00 0.00 O ATOM 613 CB GLU A 41 -1.724 6.181 -7.593 1.00 0.00 C ATOM 614 CG GLU A 41 -0.551 7.123 -7.796 1.00 0.00 C ATOM 615 CD GLU A 41 -0.928 8.565 -7.548 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.018 8.971 -6.370 1.00 0.00 O ATOM 617 OE2 GLU A 41 -1.162 9.296 -8.531 1.00 0.00 O ATOM 0 H GLU A 41 0.022 4.605 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.458 4.243 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.596 6.595 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.961 6.143 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.260 6.841 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.174 7.017 -8.813 1.00 0.00 H new ATOM 624 N GLU A 42 0.338 4.498 -9.678 1.00 0.00 N ATOM 625 CA GLU A 42 0.941 4.385 -11.001 1.00 0.00 C ATOM 626 C GLU A 42 0.704 2.995 -11.578 1.00 0.00 C ATOM 627 O GLU A 42 0.614 2.823 -12.793 1.00 0.00 O ATOM 628 CB GLU A 42 2.441 4.679 -10.953 1.00 0.00 C ATOM 629 CG GLU A 42 2.774 6.092 -10.508 1.00 0.00 C ATOM 630 CD GLU A 42 4.210 6.467 -10.796 1.00 0.00 C ATOM 631 OE1 GLU A 42 5.096 6.172 -9.967 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.460 7.062 -11.866 1.00 0.00 O ATOM 0 H GLU A 42 0.987 4.360 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 42 0.467 5.125 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.919 3.972 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.867 4.509 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.110 6.794 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.585 6.187 -9.439 1.00 0.00 H new ATOM 639 N GLN A 43 0.602 2.014 -10.697 1.00 0.00 N ATOM 640 CA GLN A 43 0.340 0.635 -11.093 1.00 0.00 C ATOM 641 C GLN A 43 -0.852 0.091 -10.303 1.00 0.00 C ATOM 642 O GLN A 43 -0.704 -0.811 -9.476 1.00 0.00 O ATOM 643 CB GLN A 43 1.591 -0.211 -10.844 1.00 0.00 C ATOM 644 CG GLN A 43 2.753 0.150 -11.758 1.00 0.00 C ATOM 645 CD GLN A 43 4.103 -0.253 -11.192 1.00 0.00 C ATOM 646 OE1 GLN A 43 5.125 0.355 -11.503 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.110 -1.261 -10.337 1.00 0.00 N ATOM 0 H GLN A 43 0.698 2.147 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 43 0.097 0.593 -12.155 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.903 -0.090 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.343 -1.263 -10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.612 -0.334 -12.724 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.747 1.225 -11.936 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.239 -1.739 -10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.986 -1.560 -9.909 1.00 0.00 H new ATOM 656 N PRO A 44 -2.052 0.644 -10.549 1.00 0.00 N ATOM 657 CA PRO A 44 -3.221 0.411 -9.722 1.00 0.00 C ATOM 658 C PRO A 44 -4.179 -0.647 -10.256 1.00 0.00 C ATOM 659 O PRO A 44 -4.043 -1.159 -11.371 1.00 0.00 O ATOM 660 CB PRO A 44 -3.891 1.777 -9.769 1.00 0.00 C ATOM 661 CG PRO A 44 -3.603 2.295 -11.145 1.00 0.00 C ATOM 662 CD PRO A 44 -2.377 1.562 -11.650 1.00 0.00 C ATOM 0 HA PRO A 44 -2.948 0.034 -8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.964 1.698 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.490 2.441 -9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.453 2.125 -11.806 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.427 3.370 -11.123 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.583 1.023 -12.575 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.556 2.248 -11.857 1.00 0.00 H new ATOM 670 N PHE A 45 -5.167 -0.935 -9.431 1.00 0.00 N ATOM 671 CA PHE A 45 -6.245 -1.845 -9.755 1.00 0.00 C ATOM 672 C PHE A 45 -7.532 -1.039 -9.878 1.00 0.00 C ATOM 673 O PHE A 45 -7.681 -0.016 -9.213 1.00 0.00 O ATOM 674 CB PHE A 45 -6.361 -2.930 -8.672 1.00 0.00 C ATOM 675 CG PHE A 45 -6.091 -2.433 -7.279 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.093 -1.847 -6.529 1.00 0.00 C ATOM 677 CD2 PHE A 45 -4.827 -2.555 -6.722 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.844 -1.391 -5.250 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.571 -2.100 -5.444 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.581 -1.516 -4.707 1.00 0.00 C ATOM 0 H PHE A 45 -5.243 -0.533 -8.497 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.049 -2.350 -10.701 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.363 -3.358 -8.706 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.663 -3.735 -8.902 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.083 -1.745 -6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.033 -3.011 -7.295 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.637 -0.937 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.582 -2.201 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.384 -1.158 -3.708 1.00 0.00 H new ATOM 690 N PRO A 46 -8.452 -1.464 -10.767 1.00 0.00 N ATOM 691 CA PRO A 46 -9.666 -0.695 -11.136 1.00 0.00 C ATOM 692 C PRO A 46 -10.540 -0.258 -9.953 1.00 0.00 C ATOM 693 O PRO A 46 -11.481 0.513 -10.134 1.00 0.00 O ATOM 694 CB PRO A 46 -10.437 -1.675 -12.022 1.00 0.00 C ATOM 695 CG PRO A 46 -9.395 -2.537 -12.603 1.00 0.00 C ATOM 696 CD PRO A 46 -8.390 -2.741 -11.510 1.00 0.00 C ATOM 0 HA PRO A 46 -9.391 0.247 -11.611 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.155 -2.255 -11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.999 -1.153 -12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.812 -3.488 -12.935 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.938 -2.068 -13.474 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.647 -3.590 -10.877 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.393 -2.930 -11.907 1.00 0.00 H new ATOM 704 N GLY A 47 -10.230 -0.739 -8.755 1.00 0.00 N ATOM 705 CA GLY A 47 -10.988 -0.363 -7.578 1.00 0.00 C ATOM 706 C GLY A 47 -10.117 0.307 -6.538 1.00 0.00 C ATOM 707 O GLY A 47 -10.383 0.224 -5.340 1.00 0.00 O ATOM 0 H GLY A 47 -9.462 -1.387 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.795 0.311 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.452 -1.250 -7.146 1.00 0.00 H new ATOM 711 N PHE A 48 -9.056 0.944 -6.995 1.00 0.00 N ATOM 712 CA PHE A 48 -8.151 1.661 -6.111 1.00 0.00 C ATOM 713 C PHE A 48 -8.769 2.966 -5.614 1.00 0.00 C ATOM 714 O PHE A 48 -9.298 3.757 -6.396 1.00 0.00 O ATOM 715 CB PHE A 48 -6.828 1.933 -6.838 1.00 0.00 C ATOM 716 CG PHE A 48 -5.955 2.956 -6.170 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.321 2.673 -4.973 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.770 4.202 -6.747 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.519 3.615 -4.364 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.970 5.148 -6.142 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.344 4.855 -4.950 1.00 0.00 C ATOM 0 H PHE A 48 -8.797 0.981 -7.981 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.961 1.038 -5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.274 0.998 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.046 2.266 -7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.456 1.706 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.258 4.435 -7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.028 3.384 -3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.834 6.116 -6.601 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.717 5.594 -4.474 1.00 0.00 H new ATOM 731 N ILE A 49 -8.689 3.180 -4.306 1.00 0.00 N ATOM 732 CA ILE A 49 -9.234 4.380 -3.691 1.00 0.00 C ATOM 733 C ILE A 49 -8.124 5.341 -3.275 1.00 0.00 C ATOM 734 O ILE A 49 -8.044 6.460 -3.781 1.00 0.00 O ATOM 735 CB ILE A 49 -10.100 4.024 -2.464 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.346 3.255 -2.904 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.486 5.264 -1.675 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.256 4.028 -3.832 1.00 0.00 C ATOM 0 H ILE A 49 -8.250 2.534 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.859 4.872 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.507 3.389 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.035 2.336 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.911 2.964 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.095 4.975 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.585 5.768 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.055 5.939 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.115 3.411 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.599 4.934 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.710 4.296 -4.737 1.00 0.00 H new ATOM 750 N GLU A 50 -7.251 4.896 -2.378 1.00 0.00 N ATOM 751 CA GLU A 50 -6.251 5.784 -1.799 1.00 0.00 C ATOM 752 C GLU A 50 -5.118 4.978 -1.167 1.00 0.00 C ATOM 753 O GLU A 50 -5.263 3.788 -0.912 1.00 0.00 O ATOM 754 CB GLU A 50 -6.922 6.681 -0.752 1.00 0.00 C ATOM 755 CG GLU A 50 -6.034 7.772 -0.179 1.00 0.00 C ATOM 756 CD GLU A 50 -6.787 8.669 0.775 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.098 8.222 1.896 1.00 0.00 O ATOM 758 OE2 GLU A 50 -7.103 9.818 0.398 1.00 0.00 O ATOM 0 H GLU A 50 -7.215 3.935 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.821 6.405 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.799 7.146 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.278 6.055 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.190 7.318 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.624 8.370 -0.992 1.00 0.00 H new ATOM 765 N CYS A 51 -3.996 5.630 -0.934 1.00 0.00 N ATOM 766 CA CYS A 51 -2.862 5.013 -0.270 1.00 0.00 C ATOM 767 C CYS A 51 -1.977 6.102 0.310 1.00 0.00 C ATOM 768 O CYS A 51 -1.456 6.947 -0.419 1.00 0.00 O ATOM 769 CB CYS A 51 -2.078 4.131 -1.243 1.00 0.00 C ATOM 770 SG CYS A 51 -1.821 4.871 -2.869 1.00 0.00 S ATOM 0 H CYS A 51 -3.844 6.603 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.218 4.372 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.108 3.899 -0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.607 3.186 -1.366 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.736 4.446 -3.689 1.00 0.00 H new ATOM 776 N ILE A 52 -1.824 6.095 1.621 1.00 0.00 N ATOM 777 CA ILE A 52 -1.074 7.140 2.298 1.00 0.00 C ATOM 778 C ILE A 52 0.109 6.574 3.073 1.00 0.00 C ATOM 779 O ILE A 52 0.015 5.513 3.686 1.00 0.00 O ATOM 780 CB ILE A 52 -1.981 7.960 3.240 1.00 0.00 C ATOM 781 CG1 ILE A 52 -2.891 7.038 4.056 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.800 8.955 2.433 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.715 7.760 5.102 1.00 0.00 C ATOM 0 H ILE A 52 -2.208 5.380 2.239 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.687 7.803 1.524 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.353 8.511 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.563 6.513 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.279 6.282 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.438 9.530 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.130 9.631 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.420 8.418 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.334 7.040 5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.051 8.263 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.354 8.497 4.616 1.00 0.00 H new ATOM 795 N PRO A 53 1.253 7.268 3.026 1.00 0.00 N ATOM 796 CA PRO A 53 2.461 6.859 3.724 1.00 0.00 C ATOM 797 C PRO A 53 2.474 7.325 5.173 1.00 0.00 C ATOM 798 O PRO A 53 2.166 8.481 5.471 1.00 0.00 O ATOM 799 CB PRO A 53 3.588 7.544 2.941 1.00 0.00 C ATOM 800 CG PRO A 53 2.933 8.453 1.944 1.00 0.00 C ATOM 801 CD PRO A 53 1.466 8.507 2.278 1.00 0.00 C ATOM 0 HA PRO A 53 2.553 5.774 3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.236 8.108 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.214 6.806 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.373 9.449 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.082 8.081 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.220 9.386 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.849 8.548 1.380 1.00 0.00 H new ATOM 809 N ALA A 54 2.828 6.423 6.068 1.00 0.00 N ATOM 810 CA ALA A 54 2.940 6.752 7.479 1.00 0.00 C ATOM 811 C ALA A 54 4.370 6.547 7.962 1.00 0.00 C ATOM 812 O ALA A 54 4.602 5.962 9.023 1.00 0.00 O ATOM 813 CB ALA A 54 1.968 5.919 8.298 1.00 0.00 C ATOM 0 H ALA A 54 3.044 5.452 5.843 1.00 0.00 H new ATOM 0 HA ALA A 54 2.683 7.803 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.065 6.178 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.949 6.120 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.192 4.861 8.162 1.00 0.00 H new ATOM 819 N PHE A 55 5.320 7.002 7.141 1.00 0.00 N ATOM 820 CA PHE A 55 6.751 6.994 7.467 1.00 0.00 C ATOM 821 C PHE A 55 7.352 5.582 7.433 1.00 0.00 C ATOM 822 O PHE A 55 8.469 5.393 6.961 1.00 0.00 O ATOM 823 CB PHE A 55 6.999 7.654 8.828 1.00 0.00 C ATOM 824 CG PHE A 55 8.444 7.957 9.102 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.104 8.934 8.376 1.00 0.00 C ATOM 826 CD2 PHE A 55 9.142 7.271 10.085 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.432 9.222 8.623 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.469 7.557 10.338 1.00 0.00 C ATOM 829 CZ PHE A 55 11.116 8.534 9.606 1.00 0.00 C ATOM 0 H PHE A 55 5.116 7.391 6.220 1.00 0.00 H new ATOM 0 HA PHE A 55 7.257 7.574 6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.427 8.580 8.881 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.620 7.000 9.613 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.574 9.477 7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.642 6.505 10.659 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.935 9.985 8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.001 7.017 11.108 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.154 8.759 9.802 1.00 0.00 H new ATOM 839 N THR A 56 6.619 4.601 7.938 1.00 0.00 N ATOM 840 CA THR A 56 7.091 3.222 7.947 1.00 0.00 C ATOM 841 C THR A 56 5.997 2.258 7.474 1.00 0.00 C ATOM 842 O THR A 56 6.281 1.129 7.064 1.00 0.00 O ATOM 843 CB THR A 56 7.596 2.822 9.358 1.00 0.00 C ATOM 844 OG1 THR A 56 7.834 1.411 9.438 1.00 0.00 O ATOM 845 CG2 THR A 56 6.597 3.229 10.430 1.00 0.00 C ATOM 0 H THR A 56 5.694 4.733 8.347 1.00 0.00 H new ATOM 0 HA THR A 56 7.926 3.152 7.249 1.00 0.00 H new ATOM 0 HB THR A 56 8.534 3.350 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.977 1.052 8.537 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.975 2.937 11.410 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.455 4.309 10.403 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.644 2.733 10.246 1.00 0.00 H new ATOM 853 N SER A 57 4.750 2.708 7.511 1.00 0.00 N ATOM 854 CA SER A 57 3.629 1.890 7.075 1.00 0.00 C ATOM 855 C SER A 57 2.865 2.565 5.940 1.00 0.00 C ATOM 856 O SER A 57 2.725 3.785 5.915 1.00 0.00 O ATOM 857 CB SER A 57 2.701 1.614 8.260 1.00 0.00 C ATOM 858 OG SER A 57 2.454 2.797 9.002 1.00 0.00 O ATOM 0 H SER A 57 4.490 3.638 7.840 1.00 0.00 H new ATOM 0 HA SER A 57 4.015 0.944 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.758 1.204 7.899 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.149 0.861 8.909 1.00 0.00 H new ATOM 0 HG SER A 57 1.857 2.594 9.752 1.00 0.00 H new ATOM 864 N LEU A 58 2.402 1.769 4.990 1.00 0.00 N ATOM 865 CA LEU A 58 1.597 2.269 3.890 1.00 0.00 C ATOM 866 C LEU A 58 0.137 1.920 4.136 1.00 0.00 C ATOM 867 O LEU A 58 -0.233 0.744 4.176 1.00 0.00 O ATOM 868 CB LEU A 58 2.074 1.685 2.572 1.00 0.00 C ATOM 869 CG LEU A 58 1.780 2.548 1.343 1.00 0.00 C ATOM 870 CD1 LEU A 58 0.302 2.566 1.006 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.276 3.967 1.536 1.00 0.00 C ATOM 0 H LEU A 58 2.573 0.764 4.960 1.00 0.00 H new ATOM 0 HA LEU A 58 1.700 3.353 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.150 1.519 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.608 0.709 2.433 1.00 0.00 H new ATOM 0 HG LEU A 58 2.316 2.096 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.137 3.190 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.036 1.551 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.258 2.970 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.052 4.555 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.780 4.412 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.353 3.956 1.703 1.00 0.00 H new ATOM 883 N THR A 59 -0.678 2.936 4.332 1.00 0.00 N ATOM 884 CA THR A 59 -2.092 2.754 4.571 1.00 0.00 C ATOM 885 C THR A 59 -2.836 2.703 3.235 1.00 0.00 C ATOM 886 O THR A 59 -3.005 3.725 2.570 1.00 0.00 O ATOM 887 CB THR A 59 -2.620 3.921 5.424 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.653 4.252 6.430 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.933 3.570 6.095 1.00 0.00 C ATOM 0 H THR A 59 -0.377 3.911 4.330 1.00 0.00 H new ATOM 0 HA THR A 59 -2.256 1.817 5.104 1.00 0.00 H new ATOM 0 HB THR A 59 -2.789 4.771 4.763 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.546 3.495 7.042 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.276 4.417 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.678 3.334 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.790 2.706 6.744 1.00 0.00 H new ATOM 897 N VAL A 60 -3.268 1.512 2.843 1.00 0.00 N ATOM 898 CA VAL A 60 -3.891 1.306 1.539 1.00 0.00 C ATOM 899 C VAL A 60 -5.407 1.224 1.650 1.00 0.00 C ATOM 900 O VAL A 60 -5.953 0.404 2.390 1.00 0.00 O ATOM 901 CB VAL A 60 -3.364 0.020 0.862 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.998 -0.192 -0.502 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.856 0.069 0.740 1.00 0.00 C ATOM 0 H VAL A 60 -3.199 0.668 3.412 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.627 2.168 0.927 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.641 -0.825 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.604 -1.105 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.079 -0.279 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.767 0.656 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.500 -0.843 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.567 0.931 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.413 0.155 1.732 1.00 0.00 H new ATOM 913 N PHE A 61 -6.072 2.079 0.902 1.00 0.00 N ATOM 914 CA PHE A 61 -7.518 2.106 0.842 1.00 0.00 C ATOM 915 C PHE A 61 -7.973 1.750 -0.567 1.00 0.00 C ATOM 916 O PHE A 61 -7.311 2.083 -1.552 1.00 0.00 O ATOM 917 CB PHE A 61 -8.035 3.490 1.206 1.00 0.00 C ATOM 918 CG PHE A 61 -7.739 3.926 2.612 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.514 4.490 2.941 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.700 3.795 3.602 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.259 4.912 4.230 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.445 4.210 4.894 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.225 4.772 5.207 1.00 0.00 C ATOM 0 H PHE A 61 -5.621 2.780 0.314 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.915 1.381 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.603 4.216 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.114 3.510 1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.754 4.600 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.660 3.363 3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.304 5.352 4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.200 4.095 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.025 5.102 6.216 1.00 0.00 H new ATOM 933 N TYR A 62 -9.111 1.099 -0.666 1.00 0.00 N ATOM 934 CA TYR A 62 -9.589 0.594 -1.938 1.00 0.00 C ATOM 935 C TYR A 62 -11.047 0.203 -1.829 1.00 0.00 C ATOM 936 O TYR A 62 -11.611 0.159 -0.734 1.00 0.00 O ATOM 937 CB TYR A 62 -8.748 -0.599 -2.394 1.00 0.00 C ATOM 938 CG TYR A 62 -8.393 -1.543 -1.274 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.353 -2.348 -0.687 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.095 -1.613 -0.791 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.029 -3.195 0.346 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.766 -2.463 0.241 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.740 -3.250 0.803 1.00 0.00 C ATOM 944 OH TYR A 62 -7.432 -4.098 1.831 1.00 0.00 O ATOM 0 H TYR A 62 -9.727 0.905 0.123 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.493 1.384 -2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.294 -1.147 -3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.831 -0.233 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.371 -2.310 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.330 -0.991 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.790 -3.816 0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.750 -2.510 0.605 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.186 -4.143 2.455 1.00 0.00 H new ATOM 954 N ASP A 63 -11.642 -0.074 -2.968 1.00 0.00 N ATOM 955 CA ASP A 63 -13.046 -0.388 -3.036 1.00 0.00 C ATOM 956 C ASP A 63 -13.231 -1.888 -3.127 1.00 0.00 C ATOM 957 O ASP A 63 -12.872 -2.519 -4.126 1.00 0.00 O ATOM 958 CB ASP A 63 -13.679 0.294 -4.240 1.00 0.00 C ATOM 959 CG ASP A 63 -15.149 0.571 -4.010 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.900 -0.386 -3.719 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.559 1.748 -4.095 1.00 0.00 O ATOM 0 H ASP A 63 -11.165 -0.087 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.536 -0.024 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.159 1.230 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.560 -0.336 -5.121 1.00 0.00 H new ATOM 966 N MET A 64 -13.790 -2.451 -2.076 1.00 0.00 N ATOM 967 CA MET A 64 -13.964 -3.891 -1.962 1.00 0.00 C ATOM 968 C MET A 64 -14.878 -4.446 -3.056 1.00 0.00 C ATOM 969 O MET A 64 -14.835 -5.639 -3.349 1.00 0.00 O ATOM 970 CB MET A 64 -14.490 -4.262 -0.570 1.00 0.00 C ATOM 971 CG MET A 64 -15.737 -3.502 -0.151 1.00 0.00 C ATOM 972 SD MET A 64 -15.405 -1.764 0.218 1.00 0.00 S ATOM 973 CE MET A 64 -17.045 -1.059 0.085 1.00 0.00 C ATOM 0 H MET A 64 -14.138 -1.926 -1.274 1.00 0.00 H new ATOM 0 HA MET A 64 -12.985 -4.350 -2.098 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.705 -5.330 -0.548 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.704 -4.080 0.163 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.480 -3.565 -0.946 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.170 -3.979 0.728 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.999 0.011 0.287 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.431 -1.222 -0.921 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.706 -1.536 0.808 1.00 0.00 H new ATOM 983 N TYR A 65 -15.685 -3.589 -3.673 1.00 0.00 N ATOM 984 CA TYR A 65 -16.587 -4.032 -4.731 1.00 0.00 C ATOM 985 C TYR A 65 -15.793 -4.513 -5.947 1.00 0.00 C ATOM 986 O TYR A 65 -16.214 -5.429 -6.654 1.00 0.00 O ATOM 987 CB TYR A 65 -17.558 -2.901 -5.128 1.00 0.00 C ATOM 988 CG TYR A 65 -17.260 -2.234 -6.463 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.262 -1.272 -6.585 1.00 0.00 C ATOM 990 CD2 TYR A 65 -17.986 -2.568 -7.600 1.00 0.00 C ATOM 991 CE1 TYR A 65 -15.996 -0.668 -7.800 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.724 -1.968 -8.817 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.729 -1.020 -8.912 1.00 0.00 C ATOM 994 OH TYR A 65 -16.472 -0.420 -10.122 1.00 0.00 O ATOM 0 H TYR A 65 -15.733 -2.592 -3.462 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.175 -4.868 -4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.570 -3.306 -5.159 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.543 -2.140 -4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.685 -0.992 -5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.768 -3.309 -7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.217 0.076 -7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.297 -2.241 -9.691 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.077 -0.783 -10.802 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.632 -3.910 -6.173 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.844 -4.218 -7.355 1.00 0.00 C ATOM 1006 C GLU A 66 -12.880 -5.346 -7.042 1.00 0.00 C ATOM 1007 O GLU A 66 -12.450 -6.096 -7.918 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.079 -2.984 -7.826 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.172 -2.741 -9.323 1.00 0.00 C ATOM 1010 CD GLU A 66 -12.722 -3.927 -10.145 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -11.500 -4.145 -10.264 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -13.591 -4.643 -10.681 1.00 0.00 O ATOM 0 H GLU A 66 -14.219 -3.210 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.514 -4.530 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.461 -2.109 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.030 -3.090 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.202 -2.497 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.564 -1.875 -9.583 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.537 -5.471 -5.777 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.649 -6.530 -5.365 1.00 0.00 C ATOM 1021 C VAL A 67 -12.410 -7.847 -5.336 1.00 0.00 C ATOM 1022 O VAL A 67 -11.883 -8.868 -5.746 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.966 -6.222 -4.008 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.445 -4.795 -4.012 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.896 -6.446 -2.828 1.00 0.00 C ATOM 0 H VAL A 67 -12.857 -4.859 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.842 -6.610 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.135 -6.917 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.965 -4.580 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.721 -4.674 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.275 -4.105 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.370 -6.216 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.766 -5.796 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.220 -7.486 -2.813 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.669 -7.800 -4.884 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.588 -8.937 -4.960 1.00 0.00 C ATOM 1037 C TYR A 68 -14.732 -9.440 -6.388 1.00 0.00 C ATOM 1038 O TYR A 68 -14.965 -10.630 -6.608 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.968 -8.554 -4.426 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.135 -8.663 -2.927 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.461 -9.631 -2.190 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.003 -7.814 -2.254 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -15.649 -9.745 -0.827 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -17.190 -7.917 -0.890 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.512 -8.884 -0.181 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.703 -8.999 1.175 1.00 0.00 O ATOM 0 H TYR A 68 -14.078 -6.970 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.166 -9.732 -4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.183 -7.528 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.714 -9.189 -4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -14.781 -10.303 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -17.542 -7.059 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.123 -10.505 -0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.864 -7.243 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.340 -8.317 1.475 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.605 -8.525 -7.352 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.646 -8.889 -8.766 1.00 0.00 C ATOM 1058 C LYS A 69 -13.562 -9.903 -9.040 1.00 0.00 C ATOM 1059 O LYS A 69 -13.767 -10.909 -9.717 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.384 -7.672 -9.645 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.007 -7.756 -11.028 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.485 -7.404 -10.997 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.699 -5.934 -10.669 1.00 0.00 C ATOM 1064 NZ LYS A 69 -18.137 -5.567 -10.697 1.00 0.00 N ATOM 0 H LYS A 69 -14.473 -7.529 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.633 -9.293 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.766 -6.785 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.307 -7.540 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.485 -7.079 -11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.880 -8.763 -11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.935 -7.632 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.992 -8.021 -10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.288 -5.718 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.153 -5.319 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.242 -4.558 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.523 -5.749 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.654 -6.136 -9.997 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.403 -9.621 -8.477 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.246 -10.455 -8.666 1.00 0.00 C ATOM 1080 C HIS A 70 -11.312 -11.651 -7.733 1.00 0.00 C ATOM 1081 O HIS A 70 -11.201 -12.789 -8.182 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.967 -9.661 -8.390 1.00 0.00 C ATOM 1083 CG HIS A 70 -9.695 -8.576 -9.390 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -10.232 -7.307 -9.304 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -8.927 -8.579 -10.504 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -9.806 -6.584 -10.320 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -9.013 -7.328 -11.065 1.00 0.00 N ATOM 0 H HIS A 70 -12.244 -8.810 -7.880 1.00 0.00 H new ATOM 0 HA HIS A 70 -11.233 -10.802 -9.699 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.034 -9.217 -7.397 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.121 -10.348 -8.375 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.860 -6.980 -8.569 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.352 -9.411 -10.882 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.064 -5.553 -10.511 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.540 -11.337 -6.444 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.518 -12.272 -5.312 1.00 0.00 C ATOM 1098 C LEU A 71 -11.495 -13.744 -5.713 1.00 0.00 C ATOM 1099 O LEU A 71 -12.542 -14.396 -5.787 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.700 -12.014 -4.388 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.301 -11.516 -3.004 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.327 -10.012 -2.921 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -13.168 -12.138 -1.938 1.00 0.00 C ATOM 0 H LEU A 71 -11.753 -10.383 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.578 -12.080 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.359 -11.280 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.274 -12.935 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.272 -11.828 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.036 -9.698 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.630 -9.595 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.333 -9.653 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.864 -11.767 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.210 -11.875 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.057 -13.222 -1.966 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.291 -14.271 -5.985 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.083 -15.686 -6.320 1.00 0.00 C ATOM 1117 C PRO A 72 -10.501 -16.616 -5.181 1.00 0.00 C ATOM 1118 O PRO A 72 -10.764 -16.175 -4.064 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.572 -15.775 -6.562 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.154 -14.380 -6.867 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.032 -13.511 -6.026 1.00 0.00 C ATOM 0 HA PRO A 72 -10.682 -15.998 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.053 -16.161 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.343 -16.447 -7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.102 -14.224 -6.628 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.277 -14.155 -7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.617 -13.359 -5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.168 -12.524 -6.468 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.535 -17.908 -5.476 1.00 0.00 N ATOM 1130 CA GLN A 73 -11.065 -18.910 -4.553 1.00 0.00 C ATOM 1131 C GLN A 73 -10.175 -19.083 -3.321 1.00 0.00 C ATOM 1132 O GLN A 73 -10.653 -19.465 -2.255 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.233 -20.242 -5.286 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.573 -20.914 -5.037 1.00 0.00 C ATOM 1135 CD GLN A 73 -12.666 -21.573 -3.676 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -12.301 -22.738 -3.513 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.178 -20.849 -2.698 1.00 0.00 N ATOM 0 H GLN A 73 -10.198 -18.293 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.035 -18.563 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.114 -20.074 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.435 -20.918 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.367 -20.173 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.745 -21.664 -5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.468 -19.887 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.283 -21.251 -1.767 1.00 0.00 H new ATOM 1146 N GLY A 74 -8.886 -18.805 -3.465 1.00 0.00 N ATOM 1147 CA GLY A 74 -7.989 -18.866 -2.323 1.00 0.00 C ATOM 1148 C GLY A 74 -8.151 -17.649 -1.436 1.00 0.00 C ATOM 1149 O GLY A 74 -7.827 -17.669 -0.248 1.00 0.00 O ATOM 0 H GLY A 74 -8.445 -18.540 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.190 -19.769 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.958 -18.932 -2.670 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.670 -16.595 -2.038 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.919 -15.334 -1.362 1.00 0.00 C ATOM 1155 C ILE A 75 -10.282 -15.362 -0.694 1.00 0.00 C ATOM 1156 O ILE A 75 -11.310 -15.441 -1.361 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.872 -14.198 -2.394 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.534 -14.231 -3.135 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -9.108 -12.849 -1.740 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -6.341 -13.833 -2.294 1.00 0.00 C ATOM 0 H ILE A 75 -8.934 -16.590 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.158 -15.173 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.675 -14.347 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.371 -15.238 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.594 -13.566 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.069 -12.066 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.088 -12.843 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.338 -12.668 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.436 -13.885 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.476 -12.815 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.250 -14.512 -1.447 1.00 0.00 H new ATOM 1172 N SER A 76 -10.288 -15.316 0.623 1.00 0.00 N ATOM 1173 CA SER A 76 -11.521 -15.398 1.377 1.00 0.00 C ATOM 1174 C SER A 76 -11.901 -14.029 1.936 1.00 0.00 C ATOM 1175 O SER A 76 -12.939 -13.865 2.576 1.00 0.00 O ATOM 1176 CB SER A 76 -11.339 -16.416 2.497 1.00 0.00 C ATOM 1177 OG SER A 76 -10.909 -17.668 1.974 1.00 0.00 O ATOM 0 H SER A 76 -9.448 -15.222 1.195 1.00 0.00 H new ATOM 0 HA SER A 76 -12.333 -15.719 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.608 -16.046 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.278 -16.544 3.035 1.00 0.00 H new ATOM 0 HG SER A 76 -10.796 -18.308 2.708 1.00 0.00 H new ATOM 1183 N SER A 77 -11.052 -13.048 1.677 1.00 0.00 N ATOM 1184 CA SER A 77 -11.262 -11.702 2.174 1.00 0.00 C ATOM 1185 C SER A 77 -10.859 -10.650 1.143 1.00 0.00 C ATOM 1186 O SER A 77 -9.866 -10.833 0.439 1.00 0.00 O ATOM 1187 CB SER A 77 -10.451 -11.497 3.443 1.00 0.00 C ATOM 1188 OG SER A 77 -10.934 -12.308 4.504 1.00 0.00 O ATOM 0 H SER A 77 -10.205 -13.162 1.121 1.00 0.00 H new ATOM 0 HA SER A 77 -12.326 -11.584 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.405 -11.733 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.492 -10.448 3.737 1.00 0.00 H new ATOM 0 HG SER A 77 -10.391 -12.155 5.306 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.622 -9.548 1.033 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.315 -8.447 0.112 1.00 0.00 C ATOM 1196 C PRO A 78 -9.846 -8.047 0.121 1.00 0.00 C ATOM 1197 O PRO A 78 -9.168 -8.095 -0.912 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.166 -7.308 0.658 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.359 -7.985 1.230 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.866 -9.295 1.790 1.00 0.00 C ATOM 0 HA PRO A 78 -11.521 -8.719 -0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.629 -6.739 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.445 -6.607 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.817 -7.376 2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.118 -8.149 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.677 -9.228 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.594 -10.093 1.644 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.367 -7.671 1.298 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.002 -7.193 1.470 1.00 0.00 C ATOM 1210 C PHE A 79 -6.970 -8.207 0.969 1.00 0.00 C ATOM 1211 O PHE A 79 -5.894 -7.825 0.517 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.761 -6.830 2.940 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.979 -7.824 3.748 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.583 -8.953 4.281 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.637 -7.607 3.993 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.851 -9.849 5.039 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.904 -8.491 4.748 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.509 -9.617 5.274 1.00 0.00 C ATOM 0 H PHE A 79 -9.912 -7.688 2.160 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.876 -6.298 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.240 -5.873 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.729 -6.684 3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.633 -9.134 4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.157 -6.730 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.327 -10.728 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.856 -8.306 4.930 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.935 -10.313 5.867 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.309 -9.495 1.015 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.382 -10.531 0.568 1.00 0.00 C ATOM 1230 C GLU A 80 -6.167 -10.458 -0.935 1.00 0.00 C ATOM 1231 O GLU A 80 -5.077 -10.754 -1.428 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.877 -11.931 0.920 1.00 0.00 C ATOM 1233 CG GLU A 80 -6.940 -12.222 2.400 1.00 0.00 C ATOM 1234 CD GLU A 80 -7.336 -13.662 2.671 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -8.543 -13.973 2.626 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -6.437 -14.497 2.907 1.00 0.00 O ATOM 0 H GLU A 80 -8.207 -9.842 1.353 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.442 -10.347 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.871 -12.069 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.223 -12.663 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.969 -12.020 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.658 -11.552 2.873 1.00 0.00 H new ATOM 1243 N SER A 81 -7.202 -10.048 -1.659 1.00 0.00 N ATOM 1244 CA SER A 81 -7.125 -9.968 -3.108 1.00 0.00 C ATOM 1245 C SER A 81 -6.204 -8.825 -3.473 1.00 0.00 C ATOM 1246 O SER A 81 -5.449 -8.890 -4.440 1.00 0.00 O ATOM 1247 CB SER A 81 -8.517 -9.749 -3.714 1.00 0.00 C ATOM 1248 OG SER A 81 -8.480 -9.764 -5.133 1.00 0.00 O ATOM 0 H SER A 81 -8.100 -9.767 -1.266 1.00 0.00 H new ATOM 0 HA SER A 81 -6.735 -10.904 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.195 -10.526 -3.359 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.918 -8.795 -3.370 1.00 0.00 H new ATOM 0 HG SER A 81 -9.334 -10.099 -5.479 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.251 -7.800 -2.641 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.458 -6.605 -2.837 1.00 0.00 C ATOM 1256 C VAL A 82 -4.020 -6.852 -2.431 1.00 0.00 C ATOM 1257 O VAL A 82 -3.098 -6.233 -2.962 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.016 -5.444 -2.009 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.283 -4.155 -2.338 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.511 -5.310 -2.241 1.00 0.00 C ATOM 0 H VAL A 82 -6.842 -7.775 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.500 -6.347 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.856 -5.652 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.693 -3.341 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.223 -4.272 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.407 -3.926 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.898 -4.482 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.700 -5.119 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.009 -6.233 -1.944 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.833 -7.756 -1.474 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.497 -8.128 -1.050 1.00 0.00 C ATOM 1272 C LYS A 83 -1.689 -8.559 -2.252 1.00 0.00 C ATOM 1273 O LYS A 83 -0.548 -8.173 -2.409 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.523 -9.276 -0.046 1.00 0.00 C ATOM 1275 CG LYS A 83 -3.107 -8.932 1.305 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.756 -9.979 2.360 1.00 0.00 C ATOM 1277 CE LYS A 83 -3.107 -11.397 1.924 1.00 0.00 C ATOM 1278 NZ LYS A 83 -2.040 -12.003 1.076 1.00 0.00 N ATOM 0 H LYS A 83 -4.586 -8.238 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.048 -7.258 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.096 -10.099 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.504 -9.637 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.737 -7.958 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.191 -8.849 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.690 -9.924 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.284 -9.747 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.266 -12.018 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.046 -11.384 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.363 -12.045 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.179 -11.423 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.833 -12.965 1.414 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.320 -9.323 -3.124 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.637 -9.878 -4.284 1.00 0.00 C ATOM 1294 C ARG A 84 -1.174 -8.752 -5.202 1.00 0.00 C ATOM 1295 O ARG A 84 -0.063 -8.788 -5.732 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.564 -10.839 -5.038 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.377 -11.744 -4.122 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.499 -12.519 -3.143 1.00 0.00 C ATOM 1299 NE ARG A 84 -1.687 -13.544 -3.796 1.00 0.00 N ATOM 1300 CZ ARG A 84 -0.407 -13.790 -3.497 1.00 0.00 C ATOM 1301 NH1 ARG A 84 0.231 -13.042 -2.606 1.00 0.00 N ATOM 1302 NH2 ARG A 84 0.236 -14.791 -4.086 1.00 0.00 N ATOM 0 H ARG A 84 -3.306 -9.575 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.764 -10.437 -3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.245 -10.260 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.966 -11.457 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.095 -11.142 -3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.951 -12.447 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.844 -11.822 -2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.131 -12.989 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.124 -14.107 -4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.255 -12.273 -2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.207 -13.236 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.246 -15.375 -4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.212 -14.976 -3.856 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.027 -7.742 -5.344 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.734 -6.571 -6.163 1.00 0.00 C ATOM 1318 C ASP A 85 -0.520 -5.815 -5.637 1.00 0.00 C ATOM 1319 O ASP A 85 0.278 -5.287 -6.408 1.00 0.00 O ATOM 1320 CB ASP A 85 -2.941 -5.626 -6.197 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.097 -6.165 -7.015 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.925 -6.918 -6.462 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -4.188 -5.833 -8.215 1.00 0.00 O ATOM 0 H ASP A 85 -2.942 -7.713 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.516 -6.924 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.280 -5.443 -5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.631 -4.665 -6.607 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.400 -5.735 -4.320 1.00 0.00 N ATOM 1329 CA VAL A 86 0.709 -5.021 -3.706 1.00 0.00 C ATOM 1330 C VAL A 86 1.927 -5.928 -3.499 1.00 0.00 C ATOM 1331 O VAL A 86 3.053 -5.478 -3.631 1.00 0.00 O ATOM 1332 CB VAL A 86 0.297 -4.340 -2.378 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -0.866 -3.391 -2.615 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.057 -5.356 -1.303 1.00 0.00 C ATOM 0 H VAL A 86 -1.054 -6.154 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 86 0.995 -4.235 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 86 1.156 -3.773 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.147 -2.918 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.570 -2.625 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.716 -3.948 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.340 -4.835 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.891 -5.970 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.806 -5.992 -1.106 1.00 0.00 H new ATOM 1344 N GLU A 87 1.699 -7.199 -3.186 1.00 0.00 N ATOM 1345 CA GLU A 87 2.779 -8.166 -2.993 1.00 0.00 C ATOM 1346 C GLU A 87 3.590 -8.364 -4.270 1.00 0.00 C ATOM 1347 O GLU A 87 4.805 -8.496 -4.219 1.00 0.00 O ATOM 1348 CB GLU A 87 2.229 -9.520 -2.529 1.00 0.00 C ATOM 1349 CG GLU A 87 1.704 -9.523 -1.097 1.00 0.00 C ATOM 1350 CD GLU A 87 1.080 -10.851 -0.704 1.00 0.00 C ATOM 1351 OE1 GLU A 87 1.821 -11.760 -0.283 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -0.162 -10.998 -0.827 1.00 0.00 O ATOM 0 H GLU A 87 0.765 -7.589 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 87 3.433 -7.759 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.425 -9.822 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.016 -10.269 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.522 -9.294 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.964 -8.731 -0.984 1.00 0.00 H new