USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 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 71 THR OG1 : rot -170:sc= 0.646 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= 0.34 K(o=0.99,f=-4.6!) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.444 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.316 K(o=0.76,f=-0.036) USER MOD Single : A 8 ASN : amide:sc= 0.343 K(o=0.34,f=-0.72) USER MOD Single : A 9 GLN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 15 ASN : amide:sc= 0.647 K(o=0.65,f=-0.4) USER MOD Single : A 20 THR OG1 : rot 90:sc= 0.99 USER MOD Single : A 21 ASN : amide:sc= 0.453 K(o=0.45,f=-3.7!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 78:sc= 1.22 USER MOD Single : A 27 MET CE :methyl -173:sc= 0 (180deg=-0.0691) USER MOD Single : A 30 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.1) USER MOD Single : A 31 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.17) USER MOD Single : A 45 HIS : no HE2:sc= 0.815 K(o=0.81,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot 78:sc= 0.522 USER MOD Single : A 58 SER OG : rot 76:sc= 0.128 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 62 LYS NZ :NH3+ 147:sc= 1.19 (180deg=0.432) USER MOD Single : A 66 GLN : amide:sc= 0.287 K(o=0.29,f=-0.28) USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.682) USER MOD Single : A 76 MET CE :methyl -142:sc=-0.00162 (180deg=-0.752) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 34:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 90 N PRO A 7 12.292 5.998 9.276 1.00 0.00 N ATOM 91 CA PRO A 7 13.271 6.444 8.299 1.00 0.00 C ATOM 92 C PRO A 7 14.622 5.730 8.440 1.00 0.00 C ATOM 93 O PRO A 7 15.010 5.290 9.526 1.00 0.00 O ATOM 94 CB PRO A 7 13.352 7.964 8.476 1.00 0.00 C ATOM 95 CG PRO A 7 12.973 8.174 9.940 1.00 0.00 C ATOM 96 CD PRO A 7 11.924 7.086 10.170 1.00 0.00 C ATOM 0 HA PRO A 7 12.971 6.190 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.353 8.340 8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 7 12.667 8.483 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.831 8.057 10.602 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.569 9.171 10.115 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.921 6.757 11.209 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.922 7.454 9.949 1.00 0.00 H new ATOM 104 N ASN A 8 15.352 5.653 7.325 1.00 0.00 N ATOM 105 CA ASN A 8 16.672 5.039 7.191 1.00 0.00 C ATOM 106 C ASN A 8 17.463 5.869 6.174 1.00 0.00 C ATOM 107 O ASN A 8 16.861 6.430 5.262 1.00 0.00 O ATOM 108 CB ASN A 8 16.531 3.584 6.696 1.00 0.00 C ATOM 109 CG ASN A 8 17.892 2.960 6.424 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.838 3.138 7.187 1.00 0.00 O ATOM 111 ND2 ASN A 8 18.041 2.258 5.320 1.00 0.00 N ATOM 0 H ASN A 8 15.018 6.040 6.442 1.00 0.00 H new ATOM 0 HA ASN A 8 17.187 5.019 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.000 2.993 7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.930 3.563 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.950 1.855 5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.248 2.117 4.694 1.00 0.00 H new ATOM 118 N GLN A 9 18.792 5.950 6.308 1.00 0.00 N ATOM 119 CA GLN A 9 19.648 6.783 5.455 1.00 0.00 C ATOM 120 C GLN A 9 19.869 6.213 4.036 1.00 0.00 C ATOM 121 O GLN A 9 20.754 6.672 3.308 1.00 0.00 O ATOM 122 CB GLN A 9 20.965 7.132 6.172 1.00 0.00 C ATOM 123 CG GLN A 9 21.970 5.974 6.285 1.00 0.00 C ATOM 124 CD GLN A 9 23.297 6.441 6.883 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.668 6.061 7.992 1.00 0.00 O ATOM 126 NE2 GLN A 9 24.046 7.267 6.168 1.00 0.00 N ATOM 0 H GLN A 9 19.309 5.433 7.019 1.00 0.00 H new ATOM 0 HA GLN A 9 19.104 7.713 5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.442 7.957 5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.731 7.490 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.548 5.184 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.145 5.545 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.729 7.576 5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.939 7.594 6.536 1.00 0.00 H new ATOM 135 N ILE A 10 19.124 5.177 3.651 1.00 0.00 N ATOM 136 CA ILE A 10 19.224 4.504 2.364 1.00 0.00 C ATOM 137 C ILE A 10 17.778 4.258 1.932 1.00 0.00 C ATOM 138 O ILE A 10 16.922 3.912 2.754 1.00 0.00 O ATOM 139 CB ILE A 10 20.052 3.191 2.457 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.378 3.361 3.237 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.326 2.626 1.048 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.213 2.079 3.373 1.00 0.00 C ATOM 0 H ILE A 10 18.408 4.771 4.253 1.00 0.00 H new ATOM 0 HA ILE A 10 19.759 5.107 1.630 1.00 0.00 H new ATOM 0 HB ILE A 10 19.447 2.482 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.981 4.120 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.151 3.738 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.906 1.707 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.380 2.414 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.886 3.357 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.123 2.295 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.633 1.321 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.477 1.710 2.382 1.00 0.00 H new ATOM 154 N LEU A 11 17.511 4.424 0.642 1.00 0.00 N ATOM 155 CA LEU A 11 16.196 4.325 0.032 1.00 0.00 C ATOM 156 C LEU A 11 16.259 3.230 -1.025 1.00 0.00 C ATOM 157 O LEU A 11 17.308 3.027 -1.642 1.00 0.00 O ATOM 158 CB LEU A 11 15.802 5.668 -0.612 1.00 0.00 C ATOM 159 CG LEU A 11 15.781 6.880 0.341 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.448 8.158 -0.436 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.778 6.677 1.479 1.00 0.00 C ATOM 0 H LEU A 11 18.241 4.641 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 11 15.445 4.085 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.497 5.879 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.813 5.561 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 11 16.773 6.978 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.436 9.007 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.202 8.323 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.469 8.055 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.788 7.549 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.779 6.546 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.052 5.791 2.052 1.00 0.00 H new ATOM 173 N PHE A 12 15.133 2.564 -1.257 1.00 0.00 N ATOM 174 CA PHE A 12 14.932 1.610 -2.336 1.00 0.00 C ATOM 175 C PHE A 12 13.754 2.134 -3.139 1.00 0.00 C ATOM 176 O PHE A 12 12.767 2.604 -2.564 1.00 0.00 O ATOM 177 CB PHE A 12 14.646 0.207 -1.793 1.00 0.00 C ATOM 178 CG PHE A 12 14.294 -0.788 -2.886 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.286 -1.224 -3.784 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.970 -1.240 -3.048 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.973 -2.132 -4.810 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.660 -2.162 -4.064 1.00 0.00 C ATOM 183 CZ PHE A 12 13.659 -2.609 -4.946 1.00 0.00 C ATOM 0 H PHE A 12 14.304 2.680 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 12 15.826 1.518 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.520 -0.152 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.825 0.260 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.297 -0.858 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 12 12.192 -0.878 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.742 -2.462 -5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.649 -2.528 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.417 -3.317 -5.725 1.00 0.00 H new ATOM 193 N LEU A 13 13.868 2.091 -4.460 1.00 0.00 N ATOM 194 CA LEU A 13 12.949 2.736 -5.376 1.00 0.00 C ATOM 195 C LEU A 13 12.511 1.731 -6.425 1.00 0.00 C ATOM 196 O LEU A 13 13.278 0.835 -6.789 1.00 0.00 O ATOM 197 CB LEU A 13 13.626 3.906 -6.103 1.00 0.00 C ATOM 198 CG LEU A 13 13.788 5.215 -5.317 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.777 5.122 -4.150 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.267 6.281 -6.303 1.00 0.00 C ATOM 0 H LEU A 13 14.623 1.593 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 13 12.101 3.108 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.615 3.579 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.053 4.121 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 13 12.824 5.459 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.836 6.086 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.437 4.363 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.762 4.850 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.394 7.229 -5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.219 5.975 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.529 6.400 -7.097 1.00 0.00 H new ATOM 212 N THR A 14 11.315 1.950 -6.962 1.00 0.00 N ATOM 213 CA THR A 14 10.685 1.111 -7.976 1.00 0.00 C ATOM 214 C THR A 14 9.924 1.990 -8.983 1.00 0.00 C ATOM 215 O THR A 14 9.877 3.218 -8.847 1.00 0.00 O ATOM 216 CB THR A 14 9.789 0.049 -7.294 1.00 0.00 C ATOM 217 OG1 THR A 14 8.841 0.645 -6.439 1.00 0.00 O ATOM 218 CG2 THR A 14 10.570 -0.939 -6.424 1.00 0.00 C ATOM 0 H THR A 14 10.737 2.746 -6.693 1.00 0.00 H new ATOM 0 HA THR A 14 11.442 0.568 -8.543 1.00 0.00 H new ATOM 0 HB THR A 14 9.318 -0.476 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.290 -0.052 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.880 -1.655 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.296 -1.471 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.091 -0.396 -5.635 1.00 0.00 H new ATOM 226 N ASN A 15 9.317 1.360 -9.998 1.00 0.00 N ATOM 227 CA ASN A 15 8.547 1.989 -11.077 1.00 0.00 C ATOM 228 C ASN A 15 9.315 3.092 -11.828 1.00 0.00 C ATOM 229 O ASN A 15 8.730 4.047 -12.344 1.00 0.00 O ATOM 230 CB ASN A 15 7.180 2.456 -10.552 1.00 0.00 C ATOM 231 CG ASN A 15 6.195 2.746 -11.684 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.985 1.918 -12.567 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.544 3.896 -11.666 1.00 0.00 N ATOM 0 H ASN A 15 9.352 0.345 -10.092 1.00 0.00 H new ATOM 0 HA ASN A 15 8.374 1.227 -11.836 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.763 1.691 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.312 3.354 -9.949 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.858 4.105 -12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.728 4.575 -10.927 1.00 0.00 H new ATOM 240 N LEU A 16 10.643 2.981 -11.864 1.00 0.00 N ATOM 241 CA LEU A 16 11.528 3.865 -12.621 1.00 0.00 C ATOM 242 C LEU A 16 11.413 3.532 -14.121 1.00 0.00 C ATOM 243 O LEU A 16 10.903 2.457 -14.460 1.00 0.00 O ATOM 244 CB LEU A 16 12.983 3.672 -12.147 1.00 0.00 C ATOM 245 CG LEU A 16 13.212 3.656 -10.628 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.678 3.382 -10.321 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.810 4.988 -9.999 1.00 0.00 C ATOM 0 H LEU A 16 11.146 2.255 -11.354 1.00 0.00 H new ATOM 0 HA LEU A 16 11.239 4.903 -12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.354 2.733 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.590 4.470 -12.575 1.00 0.00 H new ATOM 0 HG LEU A 16 12.592 2.865 -10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.828 3.373 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.962 2.414 -10.735 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.295 4.162 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.982 4.949 -8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.407 5.790 -10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.754 5.177 -10.191 1.00 0.00 H new ATOM 259 N PRO A 17 11.879 4.410 -15.028 1.00 0.00 N ATOM 260 CA PRO A 17 12.018 4.087 -16.442 1.00 0.00 C ATOM 261 C PRO A 17 12.770 2.763 -16.640 1.00 0.00 C ATOM 262 O PRO A 17 13.706 2.446 -15.901 1.00 0.00 O ATOM 263 CB PRO A 17 12.783 5.247 -17.080 1.00 0.00 C ATOM 264 CG PRO A 17 12.571 6.417 -16.128 1.00 0.00 C ATOM 265 CD PRO A 17 12.239 5.794 -14.774 1.00 0.00 C ATOM 0 HA PRO A 17 11.040 3.958 -16.906 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.842 5.011 -17.189 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.402 5.473 -18.076 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.465 7.037 -16.065 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.761 7.060 -16.472 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.094 5.854 -14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.417 6.326 -14.294 1.00 0.00 H new ATOM 273 N GLU A 18 12.465 2.043 -17.719 1.00 0.00 N ATOM 274 CA GLU A 18 13.226 0.858 -18.131 1.00 0.00 C ATOM 275 C GLU A 18 14.616 1.235 -18.674 1.00 0.00 C ATOM 276 O GLU A 18 15.387 0.362 -19.077 1.00 0.00 O ATOM 277 CB GLU A 18 12.419 0.052 -19.164 1.00 0.00 C ATOM 278 CG GLU A 18 11.121 -0.520 -18.572 1.00 0.00 C ATOM 279 CD GLU A 18 10.380 -1.402 -19.592 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.563 -0.877 -20.384 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.589 -2.637 -19.606 1.00 0.00 O ATOM 0 H GLU A 18 11.682 2.263 -18.335 1.00 0.00 H new ATOM 0 HA GLU A 18 13.391 0.233 -17.253 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.178 0.692 -20.013 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.033 -0.764 -19.545 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.352 -1.106 -17.682 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.472 0.297 -18.256 1.00 0.00 H new ATOM 288 N GLU A 19 14.952 2.529 -18.672 1.00 0.00 N ATOM 289 CA GLU A 19 16.141 3.113 -19.255 1.00 0.00 C ATOM 290 C GLU A 19 16.844 4.052 -18.252 1.00 0.00 C ATOM 291 O GLU A 19 17.694 4.852 -18.648 1.00 0.00 O ATOM 292 CB GLU A 19 15.773 3.847 -20.561 1.00 0.00 C ATOM 293 CG GLU A 19 14.932 3.008 -21.537 1.00 0.00 C ATOM 294 CD GLU A 19 14.767 3.718 -22.893 1.00 0.00 C ATOM 295 OE1 GLU A 19 13.822 4.524 -23.056 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.569 3.464 -23.821 1.00 0.00 O ATOM 0 H GLU A 19 14.357 3.231 -18.233 1.00 0.00 H new ATOM 0 HA GLU A 19 16.847 2.318 -19.496 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.223 4.755 -20.312 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.690 4.157 -21.062 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.407 2.039 -21.688 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.950 2.818 -21.103 1.00 0.00 H new ATOM 303 N THR A 20 16.474 3.992 -16.967 1.00 0.00 N ATOM 304 CA THR A 20 17.075 4.800 -15.909 1.00 0.00 C ATOM 305 C THR A 20 18.577 4.517 -15.852 1.00 0.00 C ATOM 306 O THR A 20 19.026 3.388 -16.076 1.00 0.00 O ATOM 307 CB THR A 20 16.396 4.508 -14.561 1.00 0.00 C ATOM 308 OG1 THR A 20 15.004 4.495 -14.731 1.00 0.00 O ATOM 309 CG2 THR A 20 16.673 5.596 -13.517 1.00 0.00 C ATOM 0 H THR A 20 15.738 3.371 -16.632 1.00 0.00 H new ATOM 0 HA THR A 20 16.928 5.858 -16.125 1.00 0.00 H new ATOM 0 HB THR A 20 16.794 3.552 -14.220 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.710 3.586 -14.950 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.171 5.341 -12.584 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.747 5.669 -13.343 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.299 6.553 -13.881 1.00 0.00 H new ATOM 317 N ASN A 21 19.349 5.546 -15.511 1.00 0.00 N ATOM 318 CA ASN A 21 20.785 5.469 -15.326 1.00 0.00 C ATOM 319 C ASN A 21 21.111 6.188 -14.021 1.00 0.00 C ATOM 320 O ASN A 21 20.354 7.064 -13.600 1.00 0.00 O ATOM 321 CB ASN A 21 21.499 6.119 -16.524 1.00 0.00 C ATOM 322 CG ASN A 21 23.011 6.130 -16.340 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.571 7.094 -15.831 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.692 5.051 -16.685 1.00 0.00 N ATOM 0 H ASN A 21 18.976 6.482 -15.352 1.00 0.00 H new ATOM 0 HA ASN A 21 21.126 4.435 -15.271 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.247 5.577 -17.436 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.140 7.140 -16.651 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.699 5.012 -16.529 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.210 4.257 -17.108 1.00 0.00 H new ATOM 331 N GLU A 22 22.238 5.839 -13.400 1.00 0.00 N ATOM 332 CA GLU A 22 22.723 6.417 -12.150 1.00 0.00 C ATOM 333 C GLU A 22 22.692 7.949 -12.177 1.00 0.00 C ATOM 334 O GLU A 22 22.289 8.579 -11.197 1.00 0.00 O ATOM 335 CB GLU A 22 24.141 5.869 -11.915 1.00 0.00 C ATOM 336 CG GLU A 22 24.660 6.099 -10.493 1.00 0.00 C ATOM 337 CD GLU A 22 26.118 5.626 -10.343 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.377 4.401 -10.375 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.025 6.477 -10.200 1.00 0.00 O ATOM 0 H GLU A 22 22.860 5.119 -13.769 1.00 0.00 H new ATOM 0 HA GLU A 22 22.071 6.133 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.148 4.800 -12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.825 6.338 -12.623 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.593 7.159 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.028 5.566 -9.783 1.00 0.00 H new ATOM 346 N MET A 23 23.056 8.547 -13.314 1.00 0.00 N ATOM 347 CA MET A 23 23.096 9.995 -13.479 1.00 0.00 C ATOM 348 C MET A 23 21.717 10.631 -13.310 1.00 0.00 C ATOM 349 O MET A 23 21.632 11.716 -12.740 1.00 0.00 O ATOM 350 CB MET A 23 23.675 10.362 -14.853 1.00 0.00 C ATOM 351 CG MET A 23 25.153 9.972 -14.984 1.00 0.00 C ATOM 352 SD MET A 23 25.893 10.418 -16.578 1.00 0.00 S ATOM 353 CE MET A 23 27.567 9.768 -16.321 1.00 0.00 C ATOM 0 H MET A 23 23.333 8.032 -14.150 1.00 0.00 H new ATOM 0 HA MET A 23 23.742 10.390 -12.695 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.099 9.863 -15.633 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.569 11.435 -15.015 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.718 10.453 -14.185 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.249 8.896 -14.839 1.00 0.00 H new ATOM 0 HE1 MET A 23 28.170 9.955 -17.209 1.00 0.00 H new ATOM 0 HE2 MET A 23 28.022 10.263 -15.463 1.00 0.00 H new ATOM 0 HE3 MET A 23 27.516 8.695 -16.136 1.00 0.00 H new ATOM 363 N MET A 24 20.645 9.972 -13.763 1.00 0.00 N ATOM 364 CA MET A 24 19.292 10.534 -13.714 1.00 0.00 C ATOM 365 C MET A 24 18.920 10.820 -12.266 1.00 0.00 C ATOM 366 O MET A 24 18.625 11.956 -11.879 1.00 0.00 O ATOM 367 CB MET A 24 18.252 9.593 -14.361 1.00 0.00 C ATOM 368 CG MET A 24 18.518 9.378 -15.846 1.00 0.00 C ATOM 369 SD MET A 24 17.200 8.472 -16.696 1.00 0.00 S ATOM 370 CE MET A 24 17.970 8.262 -18.323 1.00 0.00 C ATOM 0 H MET A 24 20.691 9.039 -14.172 1.00 0.00 H new ATOM 0 HA MET A 24 19.286 11.460 -14.288 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.265 8.631 -13.848 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.254 10.011 -14.229 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.649 10.347 -16.327 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.455 8.834 -15.964 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.290 7.719 -18.980 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.185 9.240 -18.753 1.00 0.00 H new ATOM 0 HE3 MET A 24 18.898 7.700 -18.217 1.00 0.00 H new ATOM 380 N LEU A 25 18.990 9.776 -11.443 1.00 0.00 N ATOM 381 CA LEU A 25 18.600 9.903 -10.052 1.00 0.00 C ATOM 382 C LEU A 25 19.624 10.740 -9.297 1.00 0.00 C ATOM 383 O LEU A 25 19.234 11.451 -8.377 1.00 0.00 O ATOM 384 CB LEU A 25 18.447 8.542 -9.371 1.00 0.00 C ATOM 385 CG LEU A 25 17.429 7.581 -10.007 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.144 6.460 -9.004 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.131 8.286 -10.419 1.00 0.00 C ATOM 0 H LEU A 25 19.310 8.847 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 25 17.629 10.397 -10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.421 8.052 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.161 8.708 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 25 17.854 7.176 -10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.423 5.763 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.069 5.931 -8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.736 6.887 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.448 7.561 -10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.665 8.733 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.356 9.065 -11.147 1.00 0.00 H new ATOM 399 N SER A 26 20.905 10.700 -9.677 1.00 0.00 N ATOM 400 CA SER A 26 21.907 11.535 -9.032 1.00 0.00 C ATOM 401 C SER A 26 21.552 13.010 -9.211 1.00 0.00 C ATOM 402 O SER A 26 21.530 13.747 -8.231 1.00 0.00 O ATOM 403 CB SER A 26 23.312 11.226 -9.555 1.00 0.00 C ATOM 404 OG SER A 26 23.645 9.872 -9.316 1.00 0.00 O ATOM 0 H SER A 26 21.264 10.102 -10.421 1.00 0.00 H new ATOM 0 HA SER A 26 21.911 11.311 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.363 11.436 -10.623 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.039 11.876 -9.068 1.00 0.00 H new ATOM 0 HG SER A 26 23.199 9.304 -9.978 1.00 0.00 H new ATOM 410 N MET A 27 21.194 13.436 -10.426 1.00 0.00 N ATOM 411 CA MET A 27 20.763 14.810 -10.671 1.00 0.00 C ATOM 412 C MET A 27 19.510 15.124 -9.860 1.00 0.00 C ATOM 413 O MET A 27 19.434 16.187 -9.245 1.00 0.00 O ATOM 414 CB MET A 27 20.473 15.039 -12.161 1.00 0.00 C ATOM 415 CG MET A 27 21.744 14.994 -13.006 1.00 0.00 C ATOM 416 SD MET A 27 22.970 16.304 -12.702 1.00 0.00 S ATOM 417 CE MET A 27 22.065 17.763 -13.291 1.00 0.00 C ATOM 0 H MET A 27 21.195 12.844 -11.257 1.00 0.00 H new ATOM 0 HA MET A 27 21.572 15.473 -10.364 1.00 0.00 H new ATOM 0 HB2 MET A 27 19.775 14.280 -12.515 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.986 16.005 -12.291 1.00 0.00 H new ATOM 0 HG2 MET A 27 22.227 14.031 -12.844 1.00 0.00 H new ATOM 0 HG3 MET A 27 21.456 15.033 -14.057 1.00 0.00 H new ATOM 0 HE1 MET A 27 22.728 18.628 -13.287 1.00 0.00 H new ATOM 0 HE2 MET A 27 21.707 17.584 -14.305 1.00 0.00 H new ATOM 0 HE3 MET A 27 21.216 17.954 -12.635 1.00 0.00 H new ATOM 427 N LEU A 28 18.538 14.206 -9.854 1.00 0.00 N ATOM 428 CA LEU A 28 17.259 14.461 -9.187 1.00 0.00 C ATOM 429 C LEU A 28 17.429 14.605 -7.677 1.00 0.00 C ATOM 430 O LEU A 28 16.925 15.568 -7.096 1.00 0.00 O ATOM 431 CB LEU A 28 16.221 13.372 -9.511 1.00 0.00 C ATOM 432 CG LEU A 28 15.701 13.421 -10.961 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.794 12.216 -11.232 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.922 14.708 -11.267 1.00 0.00 C ATOM 0 H LEU A 28 18.611 13.291 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 28 16.886 15.408 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.665 12.394 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.377 13.473 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 28 16.577 13.398 -11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.431 12.258 -12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.358 11.295 -11.084 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.947 12.237 -10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.579 14.689 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.062 14.780 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.571 15.571 -11.116 1.00 0.00 H new ATOM 446 N PHE A 29 18.130 13.675 -7.035 1.00 0.00 N ATOM 447 CA PHE A 29 18.226 13.645 -5.579 1.00 0.00 C ATOM 448 C PHE A 29 19.344 14.543 -5.038 1.00 0.00 C ATOM 449 O PHE A 29 19.225 15.017 -3.909 1.00 0.00 O ATOM 450 CB PHE A 29 18.422 12.208 -5.086 1.00 0.00 C ATOM 451 CG PHE A 29 17.164 11.361 -5.060 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.679 10.748 -6.231 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.480 11.171 -3.843 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.522 9.956 -6.184 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.320 10.382 -3.795 1.00 0.00 C ATOM 456 CZ PHE A 29 14.841 9.778 -4.968 1.00 0.00 C ATOM 0 H PHE A 29 18.643 12.928 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 29 17.285 14.039 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.158 11.719 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.842 12.239 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.199 10.888 -7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.851 11.635 -2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.155 9.483 -7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.799 10.240 -2.860 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.946 9.174 -4.936 1.00 0.00 H new ATOM 466 N ASN A 30 20.413 14.830 -5.794 1.00 0.00 N ATOM 467 CA ASN A 30 21.505 15.681 -5.300 1.00 0.00 C ATOM 468 C ASN A 30 21.052 17.127 -5.034 1.00 0.00 C ATOM 469 O ASN A 30 21.773 17.900 -4.402 1.00 0.00 O ATOM 470 CB ASN A 30 22.711 15.646 -6.245 1.00 0.00 C ATOM 471 CG ASN A 30 23.897 16.455 -5.721 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.400 16.212 -4.628 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.388 17.414 -6.490 1.00 0.00 N ATOM 0 H ASN A 30 20.545 14.487 -6.746 1.00 0.00 H new ATOM 0 HA ASN A 30 21.813 15.265 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.020 14.611 -6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.415 16.034 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.191 17.959 -6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.963 17.608 -7.397 1.00 0.00 H new ATOM 480 N GLN A 31 19.849 17.504 -5.486 1.00 0.00 N ATOM 481 CA GLN A 31 19.208 18.764 -5.129 1.00 0.00 C ATOM 482 C GLN A 31 19.092 18.925 -3.604 1.00 0.00 C ATOM 483 O GLN A 31 19.139 20.054 -3.111 1.00 0.00 O ATOM 484 CB GLN A 31 17.811 18.849 -5.767 1.00 0.00 C ATOM 485 CG GLN A 31 17.851 18.882 -7.302 1.00 0.00 C ATOM 486 CD GLN A 31 16.449 19.036 -7.893 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.049 20.115 -8.323 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.666 17.970 -7.919 1.00 0.00 N ATOM 0 H GLN A 31 19.291 16.930 -6.118 1.00 0.00 H new ATOM 0 HA GLN A 31 19.832 19.572 -5.510 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.218 17.994 -5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.306 19.744 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.480 19.708 -7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.306 17.965 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.007 17.078 -7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.722 18.040 -8.298 1.00 0.00 H new ATOM 497 N PHE A 32 18.941 17.827 -2.853 1.00 0.00 N ATOM 498 CA PHE A 32 18.829 17.867 -1.400 1.00 0.00 C ATOM 499 C PHE A 32 20.241 17.827 -0.798 1.00 0.00 C ATOM 500 O PHE A 32 21.048 16.997 -1.231 1.00 0.00 O ATOM 501 CB PHE A 32 17.974 16.689 -0.906 1.00 0.00 C ATOM 502 CG PHE A 32 16.661 16.547 -1.665 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.685 17.562 -1.611 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.459 15.445 -2.517 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.541 17.486 -2.428 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.320 15.365 -3.328 1.00 0.00 C ATOM 507 CZ PHE A 32 14.370 16.395 -3.301 1.00 0.00 C ATOM 0 H PHE A 32 18.894 16.886 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 32 18.336 18.786 -1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.546 15.766 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.762 16.821 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.815 18.400 -0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.191 14.652 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.794 18.265 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.174 14.511 -3.973 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.507 16.352 -3.949 1.00 0.00 H new ATOM 517 N PRO A 33 20.556 18.653 0.220 1.00 0.00 N ATOM 518 CA PRO A 33 21.904 18.810 0.780 1.00 0.00 C ATOM 519 C PRO A 33 22.343 17.628 1.675 1.00 0.00 C ATOM 520 O PRO A 33 23.094 17.808 2.638 1.00 0.00 O ATOM 521 CB PRO A 33 21.860 20.159 1.513 1.00 0.00 C ATOM 522 CG PRO A 33 20.417 20.246 1.998 1.00 0.00 C ATOM 523 CD PRO A 33 19.645 19.602 0.850 1.00 0.00 C ATOM 0 HA PRO A 33 22.668 18.802 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.566 20.189 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.112 20.986 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.271 19.711 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.107 21.277 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.752 19.097 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.313 20.355 0.135 1.00 0.00 H new ATOM 531 N GLY A 34 21.882 16.412 1.370 1.00 0.00 N ATOM 532 CA GLY A 34 22.187 15.192 2.102 1.00 0.00 C ATOM 533 C GLY A 34 22.456 13.999 1.194 1.00 0.00 C ATOM 534 O GLY A 34 22.855 12.958 1.710 1.00 0.00 O ATOM 0 H GLY A 34 21.263 16.250 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.059 15.363 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.354 14.956 2.765 1.00 0.00 H new ATOM 538 N PHE A 35 22.255 14.116 -0.121 1.00 0.00 N ATOM 539 CA PHE A 35 22.540 13.065 -1.076 1.00 0.00 C ATOM 540 C PHE A 35 23.997 12.621 -0.976 1.00 0.00 C ATOM 541 O PHE A 35 24.896 13.427 -0.711 1.00 0.00 O ATOM 542 CB PHE A 35 22.255 13.634 -2.464 1.00 0.00 C ATOM 543 CG PHE A 35 22.672 12.757 -3.626 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.774 11.813 -4.149 1.00 0.00 C ATOM 545 CD2 PHE A 35 23.955 12.891 -4.194 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.142 11.022 -5.246 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.330 12.087 -5.283 1.00 0.00 C ATOM 548 CZ PHE A 35 23.420 11.158 -5.810 1.00 0.00 C ATOM 0 H PHE A 35 21.883 14.963 -0.550 1.00 0.00 H new ATOM 0 HA PHE A 35 21.921 12.190 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.186 13.830 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.763 14.594 -2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.797 11.696 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.650 13.613 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.443 10.309 -5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.316 12.184 -5.713 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.704 10.545 -6.653 1.00 0.00 H new ATOM 558 N LYS A 36 24.220 11.344 -1.279 1.00 0.00 N ATOM 559 CA LYS A 36 25.546 10.758 -1.396 1.00 0.00 C ATOM 560 C LYS A 36 25.688 9.955 -2.680 1.00 0.00 C ATOM 561 O LYS A 36 26.653 10.197 -3.407 1.00 0.00 O ATOM 562 CB LYS A 36 25.849 9.849 -0.200 1.00 0.00 C ATOM 563 CG LYS A 36 25.840 10.573 1.157 1.00 0.00 C ATOM 564 CD LYS A 36 26.155 9.598 2.299 1.00 0.00 C ATOM 565 CE LYS A 36 27.609 9.139 2.215 1.00 0.00 C ATOM 566 NZ LYS A 36 27.854 7.863 2.930 1.00 0.00 N ATOM 0 H LYS A 36 23.467 10.678 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 36 26.259 11.583 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.115 9.043 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.825 9.387 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.574 11.379 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.865 11.031 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 36 25.973 10.081 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 36 25.490 8.736 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.888 9.022 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.254 9.913 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 28.878 7.687 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.461 7.922 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 27.396 7.084 2.416 1.00 0.00 H new ATOM 580 N GLU A 37 24.792 9.002 -2.967 1.00 0.00 N ATOM 581 CA GLU A 37 25.030 8.067 -4.074 1.00 0.00 C ATOM 582 C GLU A 37 23.732 7.434 -4.596 1.00 0.00 C ATOM 583 O GLU A 37 22.684 7.530 -3.959 1.00 0.00 O ATOM 584 CB GLU A 37 26.022 6.982 -3.590 1.00 0.00 C ATOM 585 CG GLU A 37 26.921 6.441 -4.712 1.00 0.00 C ATOM 586 CD GLU A 37 27.987 5.472 -4.169 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.689 4.272 -3.974 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.145 5.896 -3.949 1.00 0.00 O ATOM 0 H GLU A 37 23.917 8.859 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 37 25.454 8.618 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.648 7.397 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.462 6.156 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.309 5.930 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.410 7.272 -5.220 1.00 0.00 H new ATOM 595 N VAL A 38 23.825 6.739 -5.734 1.00 0.00 N ATOM 596 CA VAL A 38 22.775 5.942 -6.370 1.00 0.00 C ATOM 597 C VAL A 38 23.391 4.601 -6.796 1.00 0.00 C ATOM 598 O VAL A 38 24.581 4.537 -7.118 1.00 0.00 O ATOM 599 CB VAL A 38 22.223 6.704 -7.600 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.189 5.908 -8.411 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.589 8.036 -7.199 1.00 0.00 C ATOM 0 H VAL A 38 24.693 6.718 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 38 21.950 5.765 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 38 23.096 6.870 -8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.849 6.507 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.645 4.988 -8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.339 5.662 -7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.213 8.542 -8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.765 7.854 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.337 8.663 -6.713 1.00 0.00 H new ATOM 611 N ARG A 39 22.575 3.544 -6.857 1.00 0.00 N ATOM 612 CA ARG A 39 22.928 2.252 -7.439 1.00 0.00 C ATOM 613 C ARG A 39 21.692 1.729 -8.167 1.00 0.00 C ATOM 614 O ARG A 39 20.707 1.367 -7.525 1.00 0.00 O ATOM 615 CB ARG A 39 23.415 1.305 -6.324 1.00 0.00 C ATOM 616 CG ARG A 39 23.764 -0.127 -6.765 1.00 0.00 C ATOM 617 CD ARG A 39 24.804 -0.185 -7.895 1.00 0.00 C ATOM 618 NE ARG A 39 25.528 -1.470 -7.912 1.00 0.00 N ATOM 619 CZ ARG A 39 25.076 -2.655 -8.346 1.00 0.00 C ATOM 620 NH1 ARG A 39 23.870 -2.777 -8.895 1.00 0.00 N ATOM 621 NH2 ARG A 39 25.847 -3.731 -8.220 1.00 0.00 N ATOM 0 H ARG A 39 21.623 3.568 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 39 23.745 2.332 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 39 24.296 1.746 -5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.643 1.250 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 39 24.142 -0.681 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 39 22.854 -0.629 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.307 -0.036 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.516 0.631 -7.775 1.00 0.00 H new ATOM 0 HE ARG A 39 26.482 -1.455 -7.552 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.269 -1.959 -8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.547 -3.689 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.771 -3.649 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 39 25.514 -4.638 -8.547 1.00 0.00 H new ATOM 635 N LEU A 40 21.717 1.739 -9.502 1.00 0.00 N ATOM 636 CA LEU A 40 20.703 1.072 -10.317 1.00 0.00 C ATOM 637 C LEU A 40 20.948 -0.431 -10.235 1.00 0.00 C ATOM 638 O LEU A 40 21.995 -0.884 -9.764 1.00 0.00 O ATOM 639 CB LEU A 40 20.793 1.530 -11.799 1.00 0.00 C ATOM 640 CG LEU A 40 19.971 2.777 -12.174 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.476 2.461 -12.221 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.227 3.957 -11.234 1.00 0.00 C ATOM 0 H LEU A 40 22.440 2.209 -10.046 1.00 0.00 H new ATOM 0 HA LEU A 40 19.711 1.327 -9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.839 1.725 -12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.472 0.704 -12.433 1.00 0.00 H new ATOM 0 HG LEU A 40 20.304 3.072 -13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.922 3.361 -12.488 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.291 1.687 -12.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.147 2.110 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.622 4.808 -11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.960 3.675 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.282 4.229 -11.271 1.00 0.00 H new ATOM 654 N VAL A 41 20.006 -1.201 -10.766 1.00 0.00 N ATOM 655 CA VAL A 41 20.160 -2.630 -10.987 1.00 0.00 C ATOM 656 C VAL A 41 20.247 -2.764 -12.513 1.00 0.00 C ATOM 657 O VAL A 41 19.215 -2.661 -13.173 1.00 0.00 O ATOM 658 CB VAL A 41 19.005 -3.416 -10.327 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.200 -4.932 -10.490 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.909 -3.095 -8.824 1.00 0.00 C ATOM 0 H VAL A 41 19.098 -0.841 -11.060 1.00 0.00 H new ATOM 0 HA VAL A 41 21.048 -3.061 -10.524 1.00 0.00 H new ATOM 0 HB VAL A 41 18.086 -3.112 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.372 -5.458 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.230 -5.183 -11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.137 -5.231 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.088 -3.661 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.843 -3.368 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.727 -2.029 -8.691 1.00 0.00 H new ATOM 722 N HIS A 45 16.461 -1.804 -14.629 1.00 0.00 N ATOM 723 CA HIS A 45 16.604 -0.365 -14.404 1.00 0.00 C ATOM 724 C HIS A 45 15.342 0.249 -13.767 1.00 0.00 C ATOM 725 O HIS A 45 15.381 1.400 -13.344 1.00 0.00 O ATOM 726 CB HIS A 45 16.874 0.369 -15.725 1.00 0.00 C ATOM 727 CG HIS A 45 17.962 -0.220 -16.583 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.847 -0.547 -17.915 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.242 -0.513 -16.202 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.030 -1.036 -18.325 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.918 -1.040 -17.312 1.00 0.00 N ATOM 0 HA HIS A 45 17.445 -0.244 -13.721 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.951 0.391 -16.304 1.00 0.00 H new ATOM 0 HB3 HIS A 45 17.133 1.403 -15.499 1.00 0.00 H new ATOM 0 HD1 HIS A 45 17.011 -0.438 -18.490 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.660 -0.364 -15.217 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.240 -1.378 -19.328 1.00 0.00 H new ATOM 739 N ASP A 46 14.220 -0.487 -13.732 1.00 0.00 N ATOM 740 CA ASP A 46 12.957 -0.027 -13.175 1.00 0.00 C ATOM 741 C ASP A 46 12.987 0.017 -11.641 1.00 0.00 C ATOM 742 O ASP A 46 12.034 0.518 -11.043 1.00 0.00 O ATOM 743 CB ASP A 46 11.785 -0.882 -13.676 1.00 0.00 C ATOM 744 CG ASP A 46 11.645 -2.204 -12.917 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.536 -3.070 -13.049 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.631 -2.404 -12.213 1.00 0.00 O ATOM 0 H ASP A 46 14.174 -1.437 -14.100 1.00 0.00 H new ATOM 0 HA ASP A 46 12.807 0.994 -13.526 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.860 -0.314 -13.579 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.922 -1.091 -14.737 1.00 0.00 H new ATOM 751 N ILE A 47 14.064 -0.456 -10.999 1.00 0.00 N ATOM 752 CA ILE A 47 14.294 -0.349 -9.563 1.00 0.00 C ATOM 753 C ILE A 47 15.707 0.196 -9.305 1.00 0.00 C ATOM 754 O ILE A 47 16.580 0.127 -10.177 1.00 0.00 O ATOM 755 CB ILE A 47 14.063 -1.717 -8.875 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.291 -2.635 -9.087 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.720 -2.343 -9.308 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.013 -4.130 -9.090 1.00 0.00 C ATOM 0 H ILE A 47 14.820 -0.938 -11.486 1.00 0.00 H new ATOM 0 HA ILE A 47 13.581 0.352 -9.129 1.00 0.00 H new ATOM 0 HB ILE A 47 13.972 -1.573 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.758 -2.370 -10.036 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.018 -2.422 -8.303 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.588 -3.302 -8.808 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.903 -1.676 -9.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.720 -2.494 -10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.945 -4.673 -9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.579 -4.421 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.315 -4.369 -9.892 1.00 0.00 H new ATOM 770 N ALA A 48 15.946 0.726 -8.105 1.00 0.00 N ATOM 771 CA ALA A 48 17.231 1.310 -7.718 1.00 0.00 C ATOM 772 C ALA A 48 17.348 1.430 -6.203 1.00 0.00 C ATOM 773 O ALA A 48 16.376 1.232 -5.475 1.00 0.00 O ATOM 774 CB ALA A 48 17.377 2.718 -8.322 1.00 0.00 C ATOM 0 H ALA A 48 15.244 0.762 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 48 18.014 0.651 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.337 3.143 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.327 2.655 -9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.571 3.355 -7.958 1.00 0.00 H new ATOM 780 N PHE A 49 18.528 1.848 -5.752 1.00 0.00 N ATOM 781 CA PHE A 49 18.819 2.245 -4.389 1.00 0.00 C ATOM 782 C PHE A 49 19.449 3.637 -4.448 1.00 0.00 C ATOM 783 O PHE A 49 20.116 3.978 -5.431 1.00 0.00 O ATOM 784 CB PHE A 49 19.778 1.251 -3.719 1.00 0.00 C ATOM 785 CG PHE A 49 19.215 -0.138 -3.476 1.00 0.00 C ATOM 786 CD1 PHE A 49 19.194 -1.089 -4.517 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.742 -0.493 -2.198 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.693 -2.382 -4.285 1.00 0.00 C ATOM 789 CE2 PHE A 49 18.258 -1.792 -1.960 1.00 0.00 C ATOM 790 CZ PHE A 49 18.234 -2.737 -3.004 1.00 0.00 C ATOM 0 H PHE A 49 19.343 1.920 -6.362 1.00 0.00 H new ATOM 0 HA PHE A 49 17.905 2.257 -3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.670 1.159 -4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 49 20.096 1.668 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.564 -0.823 -5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.751 0.234 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.661 -3.102 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.905 -2.065 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.863 -3.735 -2.821 1.00 0.00 H new ATOM 800 N VAL A 50 19.268 4.430 -3.395 1.00 0.00 N ATOM 801 CA VAL A 50 19.835 5.768 -3.251 1.00 0.00 C ATOM 802 C VAL A 50 20.355 5.853 -1.812 1.00 0.00 C ATOM 803 O VAL A 50 19.734 5.303 -0.900 1.00 0.00 O ATOM 804 CB VAL A 50 18.765 6.839 -3.587 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.339 8.262 -3.566 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.104 6.620 -4.960 1.00 0.00 C ATOM 0 H VAL A 50 18.704 4.150 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 50 20.655 5.957 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 50 18.014 6.727 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.551 8.976 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.735 8.480 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.139 8.342 -4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.365 7.401 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.865 6.657 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.614 5.647 -4.977 1.00 0.00 H new ATOM 816 N GLU A 51 21.489 6.517 -1.594 1.00 0.00 N ATOM 817 CA GLU A 51 22.171 6.602 -0.309 1.00 0.00 C ATOM 818 C GLU A 51 22.346 8.075 0.044 1.00 0.00 C ATOM 819 O GLU A 51 22.658 8.900 -0.826 1.00 0.00 O ATOM 820 CB GLU A 51 23.523 5.869 -0.379 1.00 0.00 C ATOM 821 CG GLU A 51 24.278 5.959 0.958 1.00 0.00 C ATOM 822 CD GLU A 51 25.639 5.244 0.964 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.731 4.062 0.563 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.626 5.865 1.424 1.00 0.00 O ATOM 0 H GLU A 51 21.972 7.027 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 51 21.583 6.118 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.359 4.823 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.132 6.301 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.431 7.009 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.654 5.534 1.744 1.00 0.00 H new ATOM 831 N PHE A 52 22.152 8.377 1.329 1.00 0.00 N ATOM 832 CA PHE A 52 22.095 9.710 1.896 1.00 0.00 C ATOM 833 C PHE A 52 22.872 9.761 3.216 1.00 0.00 C ATOM 834 O PHE A 52 23.197 8.740 3.831 1.00 0.00 O ATOM 835 CB PHE A 52 20.620 10.071 2.134 1.00 0.00 C ATOM 836 CG PHE A 52 19.995 10.952 1.078 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.764 10.446 -0.214 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.627 12.274 1.387 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.216 11.273 -1.206 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.068 13.100 0.397 1.00 0.00 C ATOM 841 CZ PHE A 52 18.882 12.604 -0.904 1.00 0.00 C ATOM 0 H PHE A 52 22.024 7.652 2.035 1.00 0.00 H new ATOM 0 HA PHE A 52 22.549 10.425 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.043 9.149 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.536 10.572 3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 52 20.009 9.419 -0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.774 12.655 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 52 19.051 10.887 -2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.782 14.114 0.636 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.481 13.247 -1.674 1.00 0.00 H new ATOM 851 N THR A 53 23.162 10.985 3.643 1.00 0.00 N ATOM 852 CA THR A 53 23.857 11.335 4.872 1.00 0.00 C ATOM 853 C THR A 53 23.048 10.933 6.103 1.00 0.00 C ATOM 854 O THR A 53 23.599 10.305 7.010 1.00 0.00 O ATOM 855 CB THR A 53 24.109 12.854 4.847 1.00 0.00 C ATOM 856 OG1 THR A 53 24.950 13.187 3.756 1.00 0.00 O ATOM 857 CG2 THR A 53 24.731 13.373 6.144 1.00 0.00 C ATOM 0 H THR A 53 22.900 11.810 3.104 1.00 0.00 H new ATOM 0 HA THR A 53 24.802 10.795 4.933 1.00 0.00 H new ATOM 0 HB THR A 53 23.136 13.333 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.427 13.185 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.886 14.449 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.063 13.160 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.689 12.880 6.311 1.00 0.00 H new ATOM 865 N THR A 54 21.761 11.276 6.141 1.00 0.00 N ATOM 866 CA THR A 54 20.956 11.149 7.341 1.00 0.00 C ATOM 867 C THR A 54 19.554 10.690 6.978 1.00 0.00 C ATOM 868 O THR A 54 19.031 10.961 5.892 1.00 0.00 O ATOM 869 CB THR A 54 20.952 12.487 8.117 1.00 0.00 C ATOM 870 OG1 THR A 54 21.189 13.609 7.276 1.00 0.00 O ATOM 871 CG2 THR A 54 22.024 12.493 9.208 1.00 0.00 C ATOM 0 H THR A 54 21.254 11.649 5.338 1.00 0.00 H new ATOM 0 HA THR A 54 21.387 10.393 7.997 1.00 0.00 H new ATOM 0 HB THR A 54 19.956 12.570 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.175 14.429 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.999 13.445 9.738 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.833 11.682 9.911 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.006 12.356 8.754 1.00 0.00 H new ATOM 879 N GLU A 55 18.953 9.975 7.918 1.00 0.00 N ATOM 880 CA GLU A 55 17.657 9.323 7.778 1.00 0.00 C ATOM 881 C GLU A 55 16.570 10.367 7.498 1.00 0.00 C ATOM 882 O GLU A 55 15.685 10.145 6.675 1.00 0.00 O ATOM 883 CB GLU A 55 17.319 8.518 9.051 1.00 0.00 C ATOM 884 CG GLU A 55 18.412 7.560 9.557 1.00 0.00 C ATOM 885 CD GLU A 55 19.343 8.200 10.606 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.175 9.060 10.239 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.255 7.838 11.801 1.00 0.00 O ATOM 0 H GLU A 55 19.371 9.827 8.836 1.00 0.00 H new ATOM 0 HA GLU A 55 17.701 8.631 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.083 9.222 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.416 7.938 8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.941 6.677 9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.009 7.220 8.710 1.00 0.00 H new ATOM 894 N LEU A 56 16.655 11.530 8.153 1.00 0.00 N ATOM 895 CA LEU A 56 15.671 12.599 8.009 1.00 0.00 C ATOM 896 C LEU A 56 15.798 13.289 6.652 1.00 0.00 C ATOM 897 O LEU A 56 14.780 13.657 6.068 1.00 0.00 O ATOM 898 CB LEU A 56 15.822 13.633 9.143 1.00 0.00 C ATOM 899 CG LEU A 56 15.098 13.307 10.466 1.00 0.00 C ATOM 900 CD1 LEU A 56 13.572 13.264 10.300 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.575 11.999 11.111 1.00 0.00 C ATOM 0 H LEU A 56 17.412 11.753 8.799 1.00 0.00 H new ATOM 0 HA LEU A 56 14.681 12.147 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.884 13.755 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.457 14.594 8.781 1.00 0.00 H new ATOM 0 HG LEU A 56 15.360 14.127 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.108 13.031 11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.217 14.234 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.307 12.497 9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.026 11.829 12.037 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.397 11.170 10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.641 12.068 11.328 1.00 0.00 H new ATOM 913 N GLN A 57 17.014 13.448 6.116 1.00 0.00 N ATOM 914 CA GLN A 57 17.181 14.020 4.781 1.00 0.00 C ATOM 915 C GLN A 57 16.702 13.023 3.725 1.00 0.00 C ATOM 916 O GLN A 57 16.031 13.420 2.773 1.00 0.00 O ATOM 917 CB GLN A 57 18.634 14.447 4.534 1.00 0.00 C ATOM 918 CG GLN A 57 19.045 15.570 5.496 1.00 0.00 C ATOM 919 CD GLN A 57 20.287 16.301 4.995 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.192 17.345 4.359 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.470 15.762 5.236 1.00 0.00 N ATOM 0 H GLN A 57 17.885 13.191 6.582 1.00 0.00 H new ATOM 0 HA GLN A 57 16.570 14.920 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.296 13.591 4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.748 14.785 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.223 16.278 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.240 15.153 6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.536 14.893 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.317 16.215 4.892 1.00 0.00 H new ATOM 930 N SER A 58 16.970 11.732 3.932 1.00 0.00 N ATOM 931 CA SER A 58 16.407 10.658 3.118 1.00 0.00 C ATOM 932 C SER A 58 14.878 10.730 3.123 1.00 0.00 C ATOM 933 O SER A 58 14.258 10.668 2.063 1.00 0.00 O ATOM 934 CB SER A 58 16.871 9.296 3.641 1.00 0.00 C ATOM 935 OG SER A 58 18.261 9.303 3.873 1.00 0.00 O ATOM 0 H SER A 58 17.588 11.403 4.674 1.00 0.00 H new ATOM 0 HA SER A 58 16.759 10.780 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.344 9.056 4.564 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.621 8.518 2.919 1.00 0.00 H new ATOM 0 HG SER A 58 18.452 9.789 4.702 1.00 0.00 H new ATOM 941 N ASN A 59 14.268 10.916 4.301 1.00 0.00 N ATOM 942 CA ASN A 59 12.824 11.072 4.425 1.00 0.00 C ATOM 943 C ASN A 59 12.336 12.281 3.639 1.00 0.00 C ATOM 944 O ASN A 59 11.396 12.161 2.864 1.00 0.00 O ATOM 945 CB ASN A 59 12.397 11.188 5.894 1.00 0.00 C ATOM 946 CG ASN A 59 10.887 11.397 5.997 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.105 10.515 5.663 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.448 12.559 6.453 1.00 0.00 N ATOM 0 H ASN A 59 14.766 10.962 5.190 1.00 0.00 H new ATOM 0 HA ASN A 59 12.364 10.177 4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.683 10.286 6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.918 12.021 6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.446 12.731 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.112 13.283 6.727 1.00 0.00 H new ATOM 955 N ALA A 60 12.979 13.435 3.793 1.00 0.00 N ATOM 956 CA ALA A 60 12.561 14.642 3.090 1.00 0.00 C ATOM 957 C ALA A 60 12.644 14.462 1.571 1.00 0.00 C ATOM 958 O ALA A 60 11.720 14.848 0.858 1.00 0.00 O ATOM 959 CB ALA A 60 13.384 15.838 3.567 1.00 0.00 C ATOM 0 H ALA A 60 13.791 13.559 4.398 1.00 0.00 H new ATOM 0 HA ALA A 60 11.514 14.836 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.064 16.735 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.236 15.978 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.440 15.656 3.368 1.00 0.00 H new ATOM 965 N ALA A 61 13.715 13.835 1.079 1.00 0.00 N ATOM 966 CA ALA A 61 13.875 13.537 -0.339 1.00 0.00 C ATOM 967 C ALA A 61 12.794 12.567 -0.826 1.00 0.00 C ATOM 968 O ALA A 61 12.229 12.763 -1.903 1.00 0.00 O ATOM 969 CB ALA A 61 15.264 12.951 -0.598 1.00 0.00 C ATOM 0 H ALA A 61 14.495 13.521 1.657 1.00 0.00 H new ATOM 0 HA ALA A 61 13.769 14.468 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.374 12.732 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.025 13.671 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.384 12.033 -0.023 1.00 0.00 H new ATOM 975 N LYS A 62 12.482 11.538 -0.030 1.00 0.00 N ATOM 976 CA LYS A 62 11.394 10.607 -0.303 1.00 0.00 C ATOM 977 C LYS A 62 10.087 11.384 -0.439 1.00 0.00 C ATOM 978 O LYS A 62 9.430 11.264 -1.467 1.00 0.00 O ATOM 979 CB LYS A 62 11.361 9.524 0.795 1.00 0.00 C ATOM 980 CG LYS A 62 10.094 8.659 0.802 1.00 0.00 C ATOM 981 CD LYS A 62 10.105 7.696 1.997 1.00 0.00 C ATOM 982 CE LYS A 62 8.775 6.939 2.097 1.00 0.00 C ATOM 983 NZ LYS A 62 7.678 7.763 2.663 1.00 0.00 N ATOM 0 H LYS A 62 12.987 11.330 0.831 1.00 0.00 H new ATOM 0 HA LYS A 62 11.547 10.087 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.228 8.874 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.460 10.008 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.212 9.297 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.028 8.093 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.926 6.986 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.282 8.253 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.486 6.592 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.913 6.053 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.775 7.484 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.628 7.615 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.861 8.768 2.466 1.00 0.00 H new ATOM 997 N GLU A 63 9.716 12.206 0.541 1.00 0.00 N ATOM 998 CA GLU A 63 8.447 12.925 0.491 1.00 0.00 C ATOM 999 C GLU A 63 8.404 13.889 -0.704 1.00 0.00 C ATOM 1000 O GLU A 63 7.346 14.078 -1.305 1.00 0.00 O ATOM 1001 CB GLU A 63 8.185 13.676 1.808 1.00 0.00 C ATOM 1002 CG GLU A 63 8.063 12.777 3.050 1.00 0.00 C ATOM 1003 CD GLU A 63 7.020 11.656 2.892 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.813 11.919 3.099 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.404 10.505 2.577 1.00 0.00 O ATOM 0 H GLU A 63 10.274 12.389 1.375 1.00 0.00 H new ATOM 0 HA GLU A 63 7.654 12.189 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.994 14.389 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.267 14.254 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.035 12.332 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.798 13.392 3.910 1.00 0.00 H new ATOM 1012 N ALA A 64 9.551 14.472 -1.069 1.00 0.00 N ATOM 1013 CA ALA A 64 9.664 15.403 -2.182 1.00 0.00 C ATOM 1014 C ALA A 64 9.481 14.717 -3.542 1.00 0.00 C ATOM 1015 O ALA A 64 8.851 15.306 -4.423 1.00 0.00 O ATOM 1016 CB ALA A 64 11.031 16.087 -2.131 1.00 0.00 C ATOM 0 H ALA A 64 10.435 14.304 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 64 8.864 16.137 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.120 16.785 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.132 16.629 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.817 15.335 -2.203 1.00 0.00 H new ATOM 1022 N LEU A 65 10.024 13.506 -3.733 1.00 0.00 N ATOM 1023 CA LEU A 65 10.092 12.864 -5.051 1.00 0.00 C ATOM 1024 C LEU A 65 9.196 11.631 -5.183 1.00 0.00 C ATOM 1025 O LEU A 65 9.145 11.047 -6.265 1.00 0.00 O ATOM 1026 CB LEU A 65 11.554 12.542 -5.425 1.00 0.00 C ATOM 1027 CG LEU A 65 12.457 13.756 -5.713 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.861 13.267 -6.088 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.938 14.644 -6.852 1.00 0.00 C ATOM 0 H LEU A 65 10.426 12.947 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 65 9.697 13.587 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.999 11.967 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.551 11.899 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 65 12.467 14.357 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.502 14.124 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.278 12.690 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.802 12.638 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.621 15.480 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.874 14.059 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.950 15.025 -6.595 1.00 0.00 H new ATOM 1041 N GLN A 66 8.466 11.219 -4.142 1.00 0.00 N ATOM 1042 CA GLN A 66 7.479 10.154 -4.294 1.00 0.00 C ATOM 1043 C GLN A 66 6.471 10.561 -5.374 1.00 0.00 C ATOM 1044 O GLN A 66 5.885 11.645 -5.325 1.00 0.00 O ATOM 1045 CB GLN A 66 6.762 9.834 -2.972 1.00 0.00 C ATOM 1046 CG GLN A 66 7.459 8.711 -2.190 1.00 0.00 C ATOM 1047 CD GLN A 66 6.668 8.283 -0.951 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.986 9.074 -0.306 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.731 7.011 -0.593 1.00 0.00 N ATOM 0 H GLN A 66 8.540 11.602 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 66 7.998 9.243 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.722 10.732 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.732 9.544 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.599 7.850 -2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.451 9.045 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.299 6.357 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.212 6.684 0.222 1.00 0.00 H new ATOM 1058 N GLY A 67 6.279 9.671 -6.345 1.00 0.00 N ATOM 1059 CA GLY A 67 5.371 9.856 -7.468 1.00 0.00 C ATOM 1060 C GLY A 67 5.919 10.791 -8.554 1.00 0.00 C ATOM 1061 O GLY A 67 5.164 11.174 -9.449 1.00 0.00 O ATOM 0 H GLY A 67 6.767 8.776 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.154 8.885 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.427 10.256 -7.099 1.00 0.00 H new ATOM 1065 N PHE A 68 7.195 11.187 -8.496 1.00 0.00 N ATOM 1066 CA PHE A 68 7.781 12.123 -9.453 1.00 0.00 C ATOM 1067 C PHE A 68 7.972 11.412 -10.792 1.00 0.00 C ATOM 1068 O PHE A 68 8.648 10.384 -10.852 1.00 0.00 O ATOM 1069 CB PHE A 68 9.114 12.655 -8.912 1.00 0.00 C ATOM 1070 CG PHE A 68 9.837 13.614 -9.839 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.581 14.997 -9.765 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.780 13.126 -10.765 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.264 15.887 -10.612 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.459 14.018 -11.613 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.204 15.398 -11.537 1.00 0.00 C ATOM 0 H PHE A 68 7.849 10.865 -7.782 1.00 0.00 H new ATOM 0 HA PHE A 68 7.116 12.974 -9.600 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.930 13.158 -7.963 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.769 11.809 -8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.859 15.374 -9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.981 12.067 -10.823 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.067 16.947 -10.552 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.179 13.642 -12.325 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.729 16.082 -12.188 1.00 0.00 H new ATOM 1085 N LYS A 69 7.392 11.953 -11.866 1.00 0.00 N ATOM 1086 CA LYS A 69 7.608 11.451 -13.225 1.00 0.00 C ATOM 1087 C LYS A 69 9.070 11.651 -13.601 1.00 0.00 C ATOM 1088 O LYS A 69 9.492 12.784 -13.839 1.00 0.00 O ATOM 1089 CB LYS A 69 6.702 12.160 -14.257 1.00 0.00 C ATOM 1090 CG LYS A 69 5.485 11.329 -14.675 1.00 0.00 C ATOM 1091 CD LYS A 69 4.451 11.127 -13.561 1.00 0.00 C ATOM 1092 CE LYS A 69 3.438 10.039 -13.952 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.502 10.454 -15.027 1.00 0.00 N ATOM 0 H LYS A 69 6.759 12.752 -11.818 1.00 0.00 H new ATOM 0 HA LYS A 69 7.351 10.392 -13.240 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.359 13.106 -13.838 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.291 12.398 -15.143 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.000 11.815 -15.522 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.826 10.353 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.955 10.846 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.929 12.064 -13.368 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.980 9.151 -14.277 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.863 9.757 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.654 9.853 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.228 11.447 -14.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.968 10.353 -15.951 1.00 0.00 H new ATOM 1107 N ILE A 70 9.832 10.561 -13.671 1.00 0.00 N ATOM 1108 CA ILE A 70 11.175 10.613 -14.249 1.00 0.00 C ATOM 1109 C ILE A 70 10.949 10.812 -15.757 1.00 0.00 C ATOM 1110 O ILE A 70 11.558 11.691 -16.366 1.00 0.00 O ATOM 1111 CB ILE A 70 11.972 9.348 -13.898 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.187 9.263 -12.374 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.336 9.384 -14.603 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.764 7.923 -11.917 1.00 0.00 C ATOM 0 H ILE A 70 9.547 9.640 -13.339 1.00 0.00 H new ATOM 0 HA ILE A 70 11.783 11.426 -13.851 1.00 0.00 H new ATOM 0 HB ILE A 70 11.411 8.474 -14.230 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.858 10.064 -12.064 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.235 9.431 -11.870 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.899 8.485 -14.352 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.187 9.429 -15.682 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.891 10.263 -14.276 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.890 7.931 -10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.083 7.119 -12.197 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.731 7.762 -12.394 1.00 0.00 H new ATOM 1126 N THR A 71 10.018 10.042 -16.335 1.00 0.00 N ATOM 1127 CA THR A 71 9.487 10.242 -17.682 1.00 0.00 C ATOM 1128 C THR A 71 7.961 10.146 -17.565 1.00 0.00 C ATOM 1129 O THR A 71 7.495 9.639 -16.541 1.00 0.00 O ATOM 1130 CB THR A 71 10.079 9.229 -18.678 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.009 7.918 -18.163 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.538 9.529 -19.031 1.00 0.00 C ATOM 0 H THR A 71 9.604 9.240 -15.861 1.00 0.00 H new ATOM 0 HA THR A 71 9.768 11.217 -18.081 1.00 0.00 H new ATOM 0 HB THR A 71 9.478 9.316 -19.583 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.528 7.314 -18.734 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.903 8.782 -19.737 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.607 10.519 -19.482 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.145 9.500 -18.126 1.00 0.00 H new ATOM 1140 N PRO A 72 7.171 10.623 -18.550 1.00 0.00 N ATOM 1141 CA PRO A 72 5.717 10.773 -18.445 1.00 0.00 C ATOM 1142 C PRO A 72 4.920 9.578 -17.909 1.00 0.00 C ATOM 1143 O PRO A 72 3.812 9.783 -17.411 1.00 0.00 O ATOM 1144 CB PRO A 72 5.243 11.160 -19.848 1.00 0.00 C ATOM 1145 CG PRO A 72 6.425 11.954 -20.392 1.00 0.00 C ATOM 1146 CD PRO A 72 7.626 11.215 -19.806 1.00 0.00 C ATOM 0 HA PRO A 72 5.522 11.526 -17.681 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.028 10.283 -20.459 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.332 11.758 -19.817 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.444 11.956 -21.482 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.395 12.995 -20.071 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.982 10.446 -20.492 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.457 11.899 -19.635 1.00 0.00 H new ATOM 1154 N THR A 73 5.456 8.360 -17.967 1.00 0.00 N ATOM 1155 CA THR A 73 4.773 7.126 -17.597 1.00 0.00 C ATOM 1156 C THR A 73 5.504 6.373 -16.473 1.00 0.00 C ATOM 1157 O THR A 73 5.151 5.232 -16.166 1.00 0.00 O ATOM 1158 CB THR A 73 4.584 6.283 -18.875 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.790 6.248 -19.628 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.487 6.874 -19.770 1.00 0.00 C ATOM 0 H THR A 73 6.412 8.202 -18.285 1.00 0.00 H new ATOM 0 HA THR A 73 3.793 7.353 -17.178 1.00 0.00 H new ATOM 0 HB THR A 73 4.301 5.279 -18.560 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.656 5.708 -20.435 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.376 6.259 -20.663 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.544 6.895 -19.224 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.761 7.889 -20.060 1.00 0.00 H new ATOM 1168 N HIS A 74 6.488 7.006 -15.821 1.00 0.00 N ATOM 1169 CA HIS A 74 7.329 6.386 -14.806 1.00 0.00 C ATOM 1170 C HIS A 74 7.425 7.313 -13.600 1.00 0.00 C ATOM 1171 O HIS A 74 8.431 7.995 -13.385 1.00 0.00 O ATOM 1172 CB HIS A 74 8.693 6.002 -15.388 1.00 0.00 C ATOM 1173 CG HIS A 74 8.595 5.039 -16.544 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.779 5.344 -17.874 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.302 3.703 -16.474 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.593 4.223 -18.589 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.305 3.186 -17.778 1.00 0.00 N ATOM 0 H HIS A 74 6.721 7.984 -15.993 1.00 0.00 H new ATOM 0 HA HIS A 74 6.881 5.452 -14.466 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.207 6.905 -15.718 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.304 5.556 -14.603 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.015 6.262 -18.251 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.103 3.144 -15.571 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.664 4.161 -19.665 1.00 0.00 H new ATOM 1185 N ALA A 75 6.322 7.381 -12.854 1.00 0.00 N ATOM 1186 CA ALA A 75 6.272 8.024 -11.550 1.00 0.00 C ATOM 1187 C ALA A 75 7.106 7.170 -10.595 1.00 0.00 C ATOM 1188 O ALA A 75 6.677 6.065 -10.251 1.00 0.00 O ATOM 1189 CB ALA A 75 4.820 8.096 -11.063 1.00 0.00 C ATOM 0 H ALA A 75 5.429 6.984 -13.146 1.00 0.00 H new ATOM 0 HA ALA A 75 6.663 9.040 -11.599 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.787 8.578 -10.086 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.226 8.673 -11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.412 7.088 -10.984 1.00 0.00 H new ATOM 1195 N MET A 76 8.291 7.640 -10.197 1.00 0.00 N ATOM 1196 CA MET A 76 9.134 6.877 -9.287 1.00 0.00 C ATOM 1197 C MET A 76 8.388 6.592 -7.987 1.00 0.00 C ATOM 1198 O MET A 76 7.729 7.469 -7.422 1.00 0.00 O ATOM 1199 CB MET A 76 10.484 7.564 -9.017 1.00 0.00 C ATOM 1200 CG MET A 76 10.506 8.702 -7.989 1.00 0.00 C ATOM 1201 SD MET A 76 12.184 9.223 -7.535 1.00 0.00 S ATOM 1202 CE MET A 76 12.558 10.424 -8.832 1.00 0.00 C ATOM 0 H MET A 76 8.681 8.536 -10.489 1.00 0.00 H new ATOM 0 HA MET A 76 9.364 5.929 -9.774 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.190 6.801 -8.689 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.856 7.958 -9.963 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.963 9.557 -8.392 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.976 8.382 -7.091 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.604 10.330 -9.125 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.921 10.236 -9.696 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.375 11.432 -8.458 1.00 0.00 H new ATOM 1212 N LYS A 77 8.521 5.369 -7.495 1.00 0.00 N ATOM 1213 CA LYS A 77 8.078 4.993 -6.166 1.00 0.00 C ATOM 1214 C LYS A 77 9.336 4.981 -5.319 1.00 0.00 C ATOM 1215 O LYS A 77 10.393 4.559 -5.795 1.00 0.00 O ATOM 1216 CB LYS A 77 7.476 3.594 -6.191 1.00 0.00 C ATOM 1217 CG LYS A 77 6.113 3.512 -6.887 1.00 0.00 C ATOM 1218 CD LYS A 77 5.599 2.064 -6.936 1.00 0.00 C ATOM 1219 CE LYS A 77 5.151 1.575 -5.549 1.00 0.00 C ATOM 1220 NZ LYS A 77 4.937 0.108 -5.498 1.00 0.00 N ATOM 0 H LYS A 77 8.945 4.602 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 77 7.320 5.676 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.170 2.920 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.371 3.237 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.394 4.138 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.195 3.906 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.764 1.997 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.385 1.411 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.902 1.854 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.227 2.082 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.636 -0.166 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.201 -0.159 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.824 -0.381 -5.736 1.00 0.00 H new ATOM 1234 N ILE A 78 9.211 5.401 -4.066 1.00 0.00 N ATOM 1235 CA ILE A 78 10.322 5.488 -3.129 1.00 0.00 C ATOM 1236 C ILE A 78 9.839 4.862 -1.831 1.00 0.00 C ATOM 1237 O ILE A 78 8.709 5.105 -1.399 1.00 0.00 O ATOM 1238 CB ILE A 78 10.768 6.953 -2.900 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.899 7.773 -4.203 1.00 0.00 C ATOM 1240 CG2 ILE A 78 12.080 6.997 -2.090 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.222 9.244 -3.948 1.00 0.00 C ATOM 0 H ILE A 78 8.320 5.695 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 78 11.194 4.966 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 78 9.972 7.429 -2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.681 7.337 -4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.968 7.703 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.379 8.034 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.927 6.518 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.862 6.470 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.302 9.769 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.428 9.693 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.167 9.321 -3.411 1.00 0.00 H new ATOM 1253 N THR A 79 10.728 4.113 -1.201 1.00 0.00 N ATOM 1254 CA THR A 79 10.552 3.425 0.063 1.00 0.00 C ATOM 1255 C THR A 79 11.907 3.482 0.780 1.00 0.00 C ATOM 1256 O THR A 79 12.935 3.753 0.151 1.00 0.00 O ATOM 1257 CB THR A 79 10.075 1.978 -0.204 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.494 1.477 -1.466 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.547 1.895 -0.215 1.00 0.00 C ATOM 0 H THR A 79 11.659 3.960 -1.589 1.00 0.00 H new ATOM 0 HA THR A 79 9.792 3.888 0.693 1.00 0.00 H new ATOM 0 HB THR A 79 10.515 1.389 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.376 1.843 -1.687 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.240 0.867 -0.405 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.158 2.217 0.751 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.153 2.542 -0.999 1.00 0.00 H new ATOM 1267 N PHE A 80 11.943 3.244 2.090 1.00 0.00 N ATOM 1268 CA PHE A 80 13.219 3.116 2.780 1.00 0.00 C ATOM 1269 C PHE A 80 13.806 1.748 2.448 1.00 0.00 C ATOM 1270 O PHE A 80 13.076 0.754 2.406 1.00 0.00 O ATOM 1271 CB PHE A 80 13.029 3.304 4.287 1.00 0.00 C ATOM 1272 CG PHE A 80 12.653 4.730 4.641 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.620 5.751 4.564 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.328 5.050 4.984 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.260 7.088 4.811 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.969 6.383 5.243 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.932 7.401 5.147 1.00 0.00 C ATOM 0 H PHE A 80 11.120 3.138 2.683 1.00 0.00 H new ATOM 0 HA PHE A 80 13.913 3.889 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.252 2.626 4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.949 3.033 4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.642 5.506 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.584 4.269 5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 80 14.001 7.871 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.953 6.625 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.651 8.427 5.332 1.00 0.00 H new ATOM 1287 N ALA A 81 15.117 1.693 2.199 1.00 0.00 N ATOM 1288 CA ALA A 81 15.809 0.416 2.106 1.00 0.00 C ATOM 1289 C ALA A 81 15.852 -0.154 3.527 1.00 0.00 C ATOM 1290 O ALA A 81 15.874 0.609 4.500 1.00 0.00 O ATOM 1291 CB ALA A 81 17.216 0.595 1.531 1.00 0.00 C ATOM 0 H ALA A 81 15.710 2.511 2.060 1.00 0.00 H new ATOM 0 HA ALA A 81 15.292 -0.266 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.711 -0.374 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.149 1.029 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.792 1.258 2.177 1.00 0.00 H new