USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 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 Single : A 7 THR OG1 : rot -36:sc= -0.0278 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 170:sc= -1.74! USER MOD Single : A 15 HIS : no HE2:sc= -8.03! K(o=-8!,f=-3.8) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.45) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 158:sc= -0.893 USER MOD Single : A 41 SER OG : rot -66:sc= -2.58! USER MOD Single : A 45 THR OG1 : rot 59:sc= -5.2! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -4.25! K(o=-4.2!,f=-0.72) USER MOD Single : A 79 GLN : amide:sc= -3.34! C(o=-3.3!,f=-3!) USER MOD Single : A 80 GLN : amide:sc= -1.94! C(o=-1.9!,f=-2.3!) USER MOD Single : A 82 TYR OH : rot 130:sc= -0.109 USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.5 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 91 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.2) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 30:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.366 -0.622 -10.680 1.00 0.00 N ATOM 67 CA THR A 7 -6.021 -0.464 -10.154 1.00 0.00 C ATOM 68 C THR A 7 -6.034 -0.531 -8.626 1.00 0.00 C ATOM 69 O THR A 7 -7.077 -0.343 -8.002 1.00 0.00 O ATOM 70 CB THR A 7 -5.450 0.847 -10.700 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.551 1.750 -10.654 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.101 0.759 -12.187 1.00 0.00 C ATOM 0 HA THR A 7 -5.372 -1.278 -10.478 1.00 0.00 H new ATOM 0 HB THR A 7 -4.559 1.119 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.378 1.269 -10.867 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.700 1.715 -12.524 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.355 -0.021 -12.340 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.998 0.520 -12.758 1.00 0.00 H new ATOM 80 N PRO A 8 -4.833 -0.808 -8.052 1.00 0.00 N ATOM 81 CA PRO A 8 -4.697 -0.902 -6.608 1.00 0.00 C ATOM 82 C PRO A 8 -4.725 0.485 -5.963 1.00 0.00 C ATOM 83 O PRO A 8 -5.451 0.709 -4.996 1.00 0.00 O ATOM 84 CB PRO A 8 -3.384 -1.635 -6.384 1.00 0.00 C ATOM 85 CG PRO A 8 -2.611 -1.513 -7.686 1.00 0.00 C ATOM 86 CD PRO A 8 -3.576 -1.037 -8.759 1.00 0.00 C ATOM 0 HA PRO A 8 -5.523 -1.439 -6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.827 -1.195 -5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.559 -2.681 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.786 -0.809 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.176 -2.473 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.218 -0.125 -9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.694 -1.783 -9.545 1.00 0.00 H new ATOM 94 N LEU A 9 -3.926 1.380 -6.525 1.00 0.00 N ATOM 95 CA LEU A 9 -3.850 2.739 -6.016 1.00 0.00 C ATOM 96 C LEU A 9 -5.261 3.323 -5.922 1.00 0.00 C ATOM 97 O LEU A 9 -5.635 3.889 -4.896 1.00 0.00 O ATOM 98 CB LEU A 9 -2.893 3.577 -6.867 1.00 0.00 C ATOM 99 CG LEU A 9 -2.081 4.635 -6.118 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.413 5.606 -7.094 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.948 5.364 -5.088 1.00 0.00 C ATOM 0 H LEU A 9 -3.326 1.191 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.434 2.746 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.199 2.903 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.472 4.075 -7.645 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.285 4.130 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.842 6.348 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.744 5.055 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.177 6.108 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.347 6.111 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.779 5.855 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.336 4.646 -4.366 1.00 0.00 H new ATOM 113 N SER A 10 -6.006 3.166 -7.006 1.00 0.00 N ATOM 114 CA SER A 10 -7.367 3.671 -7.059 1.00 0.00 C ATOM 115 C SER A 10 -8.245 2.914 -6.060 1.00 0.00 C ATOM 116 O SER A 10 -9.066 3.516 -5.369 1.00 0.00 O ATOM 117 CB SER A 10 -7.945 3.551 -8.470 1.00 0.00 C ATOM 118 OG SER A 10 -8.657 4.723 -8.857 1.00 0.00 O ATOM 0 H SER A 10 -5.692 2.696 -7.855 1.00 0.00 H new ATOM 0 HA SER A 10 -7.350 4.728 -6.791 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.137 3.367 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.612 2.690 -8.517 1.00 0.00 H new ATOM 0 HG SER A 10 -9.009 4.607 -9.764 1.00 0.00 H new ATOM 124 N LEU A 11 -8.041 1.606 -6.015 1.00 0.00 N ATOM 125 CA LEU A 11 -8.804 0.761 -5.112 1.00 0.00 C ATOM 126 C LEU A 11 -8.602 1.246 -3.674 1.00 0.00 C ATOM 127 O LEU A 11 -9.568 1.410 -2.930 1.00 0.00 O ATOM 128 CB LEU A 11 -8.441 -0.711 -5.321 1.00 0.00 C ATOM 129 CG LEU A 11 -9.065 -1.388 -6.542 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.176 -2.524 -7.053 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.487 -1.866 -6.238 1.00 0.00 C ATOM 0 H LEU A 11 -7.359 1.111 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.870 0.837 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.357 -0.790 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.736 -1.267 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.137 -0.650 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.643 -2.989 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.202 -2.125 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.050 -3.269 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.907 -2.344 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.462 -2.582 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.105 -1.013 -5.958 1.00 0.00 H new ATOM 143 N THR A 12 -7.342 1.461 -3.327 1.00 0.00 N ATOM 144 CA THR A 12 -7.002 1.924 -1.993 1.00 0.00 C ATOM 145 C THR A 12 -7.599 3.309 -1.740 1.00 0.00 C ATOM 146 O THR A 12 -8.318 3.511 -0.763 1.00 0.00 O ATOM 147 CB THR A 12 -5.479 1.884 -1.852 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.007 2.631 -2.970 1.00 0.00 O ATOM 149 CG2 THR A 12 -4.907 0.482 -2.074 1.00 0.00 C ATOM 0 H THR A 12 -6.544 1.323 -3.947 1.00 0.00 H new ATOM 0 HA THR A 12 -7.431 1.276 -1.229 1.00 0.00 H new ATOM 0 HB THR A 12 -5.197 2.239 -0.861 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.045 2.793 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.823 0.509 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.330 -0.204 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.160 0.141 -3.078 1.00 0.00 H new ATOM 157 N LEU A 13 -7.279 4.229 -2.639 1.00 0.00 N ATOM 158 CA LEU A 13 -7.775 5.590 -2.526 1.00 0.00 C ATOM 159 C LEU A 13 -9.301 5.565 -2.416 1.00 0.00 C ATOM 160 O LEU A 13 -9.875 6.219 -1.547 1.00 0.00 O ATOM 161 CB LEU A 13 -7.256 6.448 -3.682 1.00 0.00 C ATOM 162 CG LEU A 13 -5.979 7.243 -3.406 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.219 8.314 -2.339 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.823 6.313 -3.034 1.00 0.00 C ATOM 0 H LEU A 13 -6.682 4.058 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.397 6.058 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.078 5.798 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.041 7.148 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.694 7.760 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.295 8.865 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.992 9.002 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.541 7.839 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.927 6.904 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.083 5.749 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.633 5.622 -3.855 1.00 0.00 H new ATOM 176 N ASP A 14 -9.914 4.803 -3.309 1.00 0.00 N ATOM 177 CA ASP A 14 -11.362 4.684 -3.323 1.00 0.00 C ATOM 178 C ASP A 14 -11.849 4.271 -1.933 1.00 0.00 C ATOM 179 O ASP A 14 -12.989 4.549 -1.563 1.00 0.00 O ATOM 180 CB ASP A 14 -11.817 3.616 -4.320 1.00 0.00 C ATOM 181 CG ASP A 14 -11.897 4.081 -5.775 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.097 5.299 -5.971 1.00 0.00 O ATOM 183 OD2 ASP A 14 -11.755 3.208 -6.659 1.00 0.00 O ATOM 0 H ASP A 14 -9.435 4.262 -4.028 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.777 5.649 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.131 2.771 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.798 3.252 -4.016 1.00 0.00 H new ATOM 188 N HIS A 15 -10.962 3.614 -1.201 1.00 0.00 N ATOM 189 CA HIS A 15 -11.287 3.161 0.141 1.00 0.00 C ATOM 190 C HIS A 15 -10.283 3.744 1.137 1.00 0.00 C ATOM 191 O HIS A 15 -9.734 3.021 1.967 1.00 0.00 O ATOM 192 CB HIS A 15 -11.357 1.633 0.196 1.00 0.00 C ATOM 193 CG HIS A 15 -12.682 1.063 -0.249 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.892 1.474 0.283 1.00 0.00 N ATOM 195 CD2 HIS A 15 -12.976 0.111 -1.181 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.862 0.793 -0.308 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.292 -0.052 -1.214 1.00 0.00 N ATOM 0 H HIS A 15 -10.018 3.384 -1.512 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.276 3.523 0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.567 1.220 -0.431 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.157 1.307 1.217 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.016 2.181 1.007 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.259 -0.420 -1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.919 0.890 -0.108 1.00 0.00 H new ATOM 205 N TRP A 16 -10.074 5.048 1.023 1.00 0.00 N ATOM 206 CA TRP A 16 -9.147 5.737 1.904 1.00 0.00 C ATOM 207 C TRP A 16 -9.554 5.438 3.348 1.00 0.00 C ATOM 208 O TRP A 16 -8.700 5.287 4.219 1.00 0.00 O ATOM 209 CB TRP A 16 -9.105 7.234 1.592 1.00 0.00 C ATOM 210 CG TRP A 16 -8.155 8.030 2.490 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.437 9.100 3.246 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.750 7.774 2.696 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.321 9.550 3.922 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.263 8.719 3.576 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.918 6.778 2.156 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.927 8.760 3.994 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.586 6.833 2.583 1.00 0.00 C ATOM 218 CH2 TRP A 16 -4.080 7.777 3.469 1.00 0.00 C ATOM 0 H TRP A 16 -10.531 5.645 0.334 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.129 5.379 1.749 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.806 7.370 0.553 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.110 7.644 1.690 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.415 9.553 3.317 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.281 10.346 4.558 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.278 6.029 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.569 9.510 4.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.904 6.090 2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -3.038 7.752 3.751 1.00 0.00 H new ATOM 229 N SER A 17 -10.861 5.361 3.556 1.00 0.00 N ATOM 230 CA SER A 17 -11.392 5.082 4.879 1.00 0.00 C ATOM 231 C SER A 17 -10.762 3.805 5.438 1.00 0.00 C ATOM 232 O SER A 17 -10.295 3.786 6.577 1.00 0.00 O ATOM 233 CB SER A 17 -12.916 4.950 4.844 1.00 0.00 C ATOM 234 OG SER A 17 -13.481 4.942 6.152 1.00 0.00 O ATOM 0 H SER A 17 -11.567 5.487 2.831 1.00 0.00 H new ATOM 0 HA SER A 17 -11.141 5.919 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.338 5.776 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.189 4.031 4.326 1.00 0.00 H new ATOM 0 HG SER A 17 -14.455 4.858 6.087 1.00 0.00 H new ATOM 240 N GLU A 18 -10.768 2.769 4.612 1.00 0.00 N ATOM 241 CA GLU A 18 -10.203 1.491 5.010 1.00 0.00 C ATOM 242 C GLU A 18 -8.715 1.646 5.331 1.00 0.00 C ATOM 243 O GLU A 18 -8.232 1.109 6.327 1.00 0.00 O ATOM 244 CB GLU A 18 -10.423 0.433 3.927 1.00 0.00 C ATOM 245 CG GLU A 18 -9.556 -0.801 4.182 1.00 0.00 C ATOM 246 CD GLU A 18 -9.980 -1.512 5.469 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.201 -1.731 5.621 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.073 -1.821 6.271 1.00 0.00 O ATOM 0 H GLU A 18 -11.155 2.789 3.669 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.716 1.153 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.474 0.145 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.186 0.853 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.637 -1.487 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.509 -0.506 4.253 1.00 0.00 H new ATOM 255 N ILE A 19 -8.029 2.382 4.468 1.00 0.00 N ATOM 256 CA ILE A 19 -6.606 2.614 4.647 1.00 0.00 C ATOM 257 C ILE A 19 -6.383 3.417 5.930 1.00 0.00 C ATOM 258 O ILE A 19 -5.435 3.159 6.671 1.00 0.00 O ATOM 259 CB ILE A 19 -6.009 3.268 3.400 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.532 2.600 2.126 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.480 3.268 3.460 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.450 1.076 2.233 1.00 0.00 C ATOM 0 H ILE A 19 -8.433 2.825 3.643 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.077 1.668 4.766 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.331 4.309 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.565 2.901 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.951 2.940 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.081 3.739 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.150 3.824 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.118 2.242 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.828 0.626 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.413 0.777 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.051 0.738 3.077 1.00 0.00 H new ATOM 274 N ARG A 20 -7.270 4.375 6.153 1.00 0.00 N ATOM 275 CA ARG A 20 -7.181 5.218 7.333 1.00 0.00 C ATOM 276 C ARG A 20 -7.547 4.418 8.585 1.00 0.00 C ATOM 277 O ARG A 20 -7.071 4.719 9.679 1.00 0.00 O ATOM 278 CB ARG A 20 -8.113 6.426 7.218 1.00 0.00 C ATOM 279 CG ARG A 20 -7.565 7.448 6.220 1.00 0.00 C ATOM 280 CD ARG A 20 -7.935 8.874 6.636 1.00 0.00 C ATOM 281 NE ARG A 20 -9.204 9.276 5.989 1.00 0.00 N ATOM 282 CZ ARG A 20 -9.929 10.341 6.356 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.516 11.117 7.367 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.068 10.631 5.711 1.00 0.00 N ATOM 0 H ARG A 20 -8.054 4.586 5.536 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.153 5.572 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.103 6.097 6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.230 6.894 8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.481 7.354 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.962 7.241 5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.036 8.931 7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.139 9.563 6.353 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.548 8.707 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.649 10.897 7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.068 11.928 7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.382 10.041 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.620 11.442 5.990 1.00 0.00 H new ATOM 298 N SER A 21 -8.388 3.415 8.383 1.00 0.00 N ATOM 299 CA SER A 21 -8.822 2.570 9.482 1.00 0.00 C ATOM 300 C SER A 21 -7.667 1.682 9.948 1.00 0.00 C ATOM 301 O SER A 21 -7.380 1.606 11.142 1.00 0.00 O ATOM 302 CB SER A 21 -10.021 1.711 9.076 1.00 0.00 C ATOM 303 OG SER A 21 -11.061 1.750 10.049 1.00 0.00 O ATOM 0 H SER A 21 -8.781 3.168 7.474 1.00 0.00 H new ATOM 0 HA SER A 21 -9.132 3.213 10.305 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.408 2.059 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.697 0.680 8.934 1.00 0.00 H new ATOM 0 HG SER A 21 -11.808 1.190 9.751 1.00 0.00 H new ATOM 309 N ARG A 22 -7.034 1.033 8.981 1.00 0.00 N ATOM 310 CA ARG A 22 -5.916 0.154 9.278 1.00 0.00 C ATOM 311 C ARG A 22 -4.836 0.911 10.052 1.00 0.00 C ATOM 312 O ARG A 22 -4.120 0.324 10.862 1.00 0.00 O ATOM 313 CB ARG A 22 -5.309 -0.417 7.994 1.00 0.00 C ATOM 314 CG ARG A 22 -6.395 -0.994 7.083 1.00 0.00 C ATOM 315 CD ARG A 22 -6.189 -2.494 6.868 1.00 0.00 C ATOM 316 NE ARG A 22 -6.936 -2.941 5.671 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.208 -4.222 5.389 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.797 -5.192 6.218 1.00 0.00 N ATOM 319 NH2 ARG A 22 -7.892 -4.534 4.280 1.00 0.00 N ATOM 0 H ARG A 22 -7.274 1.099 7.992 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.293 -0.669 9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.764 0.366 7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.587 -1.195 8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.376 -0.817 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.380 -0.480 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.128 -2.710 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.528 -3.045 7.745 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.265 -2.228 5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.277 -4.954 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.004 -6.168 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.206 -3.796 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.099 -5.510 4.066 1.00 0.00 H new ATOM 333 N ALA A 23 -4.751 2.204 9.776 1.00 0.00 N ATOM 334 CA ALA A 23 -3.770 3.048 10.436 1.00 0.00 C ATOM 335 C ALA A 23 -4.072 3.096 11.935 1.00 0.00 C ATOM 336 O ALA A 23 -3.158 3.058 12.758 1.00 0.00 O ATOM 337 CB ALA A 23 -3.777 4.437 9.795 1.00 0.00 C ATOM 0 H ALA A 23 -5.346 2.688 9.104 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.767 2.638 10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.041 5.070 10.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.528 4.351 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.767 4.881 9.900 1.00 0.00 H new ATOM 343 N HIS A 24 -5.358 3.179 12.245 1.00 0.00 N ATOM 344 CA HIS A 24 -5.791 3.233 13.631 1.00 0.00 C ATOM 345 C HIS A 24 -5.484 1.900 14.317 1.00 0.00 C ATOM 346 O HIS A 24 -5.043 1.876 15.465 1.00 0.00 O ATOM 347 CB HIS A 24 -7.268 3.621 13.724 1.00 0.00 C ATOM 348 CG HIS A 24 -7.527 4.863 14.542 1.00 0.00 C ATOM 349 ND1 HIS A 24 -7.445 4.881 15.924 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.866 6.128 14.160 1.00 0.00 C ATOM 351 CE1 HIS A 24 -7.724 6.107 16.343 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.986 6.877 15.249 1.00 0.00 N ATOM 0 H HIS A 24 -6.113 3.210 11.560 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.237 4.010 14.159 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.657 3.774 12.717 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.825 2.790 14.158 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.012 6.463 13.144 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.741 6.438 17.371 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.234 7.866 15.265 1.00 0.00 H new ATOM 360 N ASN A 25 -5.730 0.824 13.585 1.00 0.00 N ATOM 361 CA ASN A 25 -5.485 -0.509 14.108 1.00 0.00 C ATOM 362 C ASN A 25 -3.977 -0.738 14.225 1.00 0.00 C ATOM 363 O ASN A 25 -3.524 -1.493 15.083 1.00 0.00 O ATOM 364 CB ASN A 25 -6.055 -1.580 13.176 1.00 0.00 C ATOM 365 CG ASN A 25 -5.555 -2.972 13.569 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.214 -3.721 14.270 1.00 0.00 O ATOM 367 ND2 ASN A 25 -4.356 -3.274 13.079 1.00 0.00 N ATOM 0 H ASN A 25 -6.097 0.848 12.633 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.970 -0.583 15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.144 -1.557 13.213 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.766 -1.363 12.148 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.935 -4.180 13.284 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.858 -2.600 12.498 1.00 0.00 H new ATOM 374 N LEU A 26 -3.240 -0.071 13.348 1.00 0.00 N ATOM 375 CA LEU A 26 -1.792 -0.192 13.342 1.00 0.00 C ATOM 376 C LEU A 26 -1.188 0.924 14.197 1.00 0.00 C ATOM 377 O LEU A 26 0.015 0.931 14.455 1.00 0.00 O ATOM 378 CB LEU A 26 -1.263 -0.222 11.907 1.00 0.00 C ATOM 379 CG LEU A 26 -1.719 -1.404 11.048 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.302 -1.214 9.589 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.210 -2.727 11.623 1.00 0.00 C ATOM 0 H LEU A 26 -3.619 0.555 12.637 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.487 -1.138 13.790 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.565 0.700 11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.174 -0.223 11.942 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.808 -1.442 11.068 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.638 -2.068 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.754 -0.303 9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.216 -1.136 9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.548 -3.551 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.120 -2.716 11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.599 -2.858 12.633 1.00 0.00 H new ATOM 393 N SER A 27 -2.050 1.840 14.612 1.00 0.00 N ATOM 394 CA SER A 27 -1.616 2.958 15.433 1.00 0.00 C ATOM 395 C SER A 27 -0.649 3.843 14.643 1.00 0.00 C ATOM 396 O SER A 27 0.459 4.119 15.099 1.00 0.00 O ATOM 397 CB SER A 27 -0.955 2.471 16.724 1.00 0.00 C ATOM 398 OG SER A 27 -1.790 1.566 17.442 1.00 0.00 O ATOM 0 H SER A 27 -3.047 1.831 14.395 1.00 0.00 H new ATOM 0 HA SER A 27 -2.495 3.543 15.705 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.011 1.982 16.486 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.720 3.327 17.356 1.00 0.00 H new ATOM 0 HG SER A 27 -1.332 1.276 18.259 1.00 0.00 H new ATOM 404 N VAL A 28 -1.104 4.262 13.471 1.00 0.00 N ATOM 405 CA VAL A 28 -0.293 5.110 12.613 1.00 0.00 C ATOM 406 C VAL A 28 -1.196 6.115 11.896 1.00 0.00 C ATOM 407 O VAL A 28 -2.374 5.843 11.666 1.00 0.00 O ATOM 408 CB VAL A 28 0.526 4.248 11.650 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.625 3.487 12.394 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.376 3.288 10.872 1.00 0.00 C ATOM 0 H VAL A 28 -2.024 4.030 13.095 1.00 0.00 H new ATOM 0 HA VAL A 28 0.422 5.681 13.205 1.00 0.00 H new ATOM 0 HB VAL A 28 1.007 4.912 10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.192 2.882 11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.293 4.197 12.881 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.174 2.839 13.145 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.231 2.687 10.195 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.898 2.633 11.570 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.104 3.859 10.296 1.00 0.00 H new ATOM 420 N GLU A 29 -0.611 7.256 11.563 1.00 0.00 N ATOM 421 CA GLU A 29 -1.348 8.303 10.877 1.00 0.00 C ATOM 422 C GLU A 29 -0.771 8.528 9.477 1.00 0.00 C ATOM 423 O GLU A 29 0.445 8.585 9.305 1.00 0.00 O ATOM 424 CB GLU A 29 -1.341 9.600 11.688 1.00 0.00 C ATOM 425 CG GLU A 29 -2.728 10.246 11.702 1.00 0.00 C ATOM 426 CD GLU A 29 -2.669 11.683 11.179 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.214 11.849 10.026 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.080 12.582 11.943 1.00 0.00 O ATOM 0 H GLU A 29 0.366 7.478 11.756 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.385 7.983 10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.022 9.393 12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.617 10.295 11.263 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.412 9.660 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.125 10.241 12.717 1.00 0.00 H new ATOM 435 N ILE A 30 -1.672 8.651 8.514 1.00 0.00 N ATOM 436 CA ILE A 30 -1.268 8.868 7.135 1.00 0.00 C ATOM 437 C ILE A 30 -2.243 9.843 6.471 1.00 0.00 C ATOM 438 O ILE A 30 -3.341 10.070 6.976 1.00 0.00 O ATOM 439 CB ILE A 30 -1.136 7.534 6.398 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.482 6.810 6.328 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.050 6.663 7.033 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.318 5.400 5.758 1.00 0.00 C ATOM 0 H ILE A 30 -2.680 8.605 8.661 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.280 9.326 7.095 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.827 7.739 5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.921 6.754 7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.173 7.379 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.024 5.720 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.907 7.184 6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.306 6.464 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.290 4.908 5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.901 5.460 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.646 4.826 6.395 1.00 0.00 H new ATOM 454 N LYS A 31 -1.805 10.394 5.348 1.00 0.00 N ATOM 455 CA LYS A 31 -2.625 11.339 4.609 1.00 0.00 C ATOM 456 C LYS A 31 -3.024 10.722 3.267 1.00 0.00 C ATOM 457 O LYS A 31 -2.466 9.705 2.857 1.00 0.00 O ATOM 458 CB LYS A 31 -1.906 12.683 4.478 1.00 0.00 C ATOM 459 CG LYS A 31 -2.290 13.624 5.622 1.00 0.00 C ATOM 460 CD LYS A 31 -2.736 14.985 5.087 1.00 0.00 C ATOM 461 CE LYS A 31 -4.205 15.252 5.424 1.00 0.00 C ATOM 462 NZ LYS A 31 -4.691 16.452 4.707 1.00 0.00 N ATOM 0 H LYS A 31 -0.893 10.204 4.932 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.548 11.548 5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.828 12.524 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.159 13.143 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.093 13.179 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.440 13.754 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.113 15.770 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.595 15.019 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.810 14.388 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.318 15.393 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.689 16.619 4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.125 17.278 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.601 16.304 3.682 1.00 0.00 H new ATOM 476 N LYS A 32 -3.986 11.363 2.620 1.00 0.00 N ATOM 477 CA LYS A 32 -4.466 10.889 1.333 1.00 0.00 C ATOM 478 C LYS A 32 -3.674 11.572 0.215 1.00 0.00 C ATOM 479 O LYS A 32 -3.727 11.146 -0.937 1.00 0.00 O ATOM 480 CB LYS A 32 -5.979 11.084 1.221 1.00 0.00 C ATOM 481 CG LYS A 32 -6.493 10.615 -0.142 1.00 0.00 C ATOM 482 CD LYS A 32 -7.974 10.238 -0.069 1.00 0.00 C ATOM 483 CE LYS A 32 -8.863 11.449 -0.359 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.400 12.011 0.900 1.00 0.00 N ATOM 0 H LYS A 32 -4.446 12.206 2.963 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.297 9.817 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.480 10.529 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.225 12.136 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.351 11.405 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.912 9.757 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.187 9.446 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.204 9.842 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.290 12.210 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.684 11.156 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.001 12.832 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.964 11.288 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.613 12.309 1.511 1.00 0.00 H new ATOM 498 N GLY A 33 -2.957 12.619 0.596 1.00 0.00 N ATOM 499 CA GLY A 33 -2.155 13.364 -0.359 1.00 0.00 C ATOM 500 C GLY A 33 -0.822 12.661 -0.622 1.00 0.00 C ATOM 501 O GLY A 33 -0.449 12.439 -1.773 1.00 0.00 O ATOM 0 H GLY A 33 -2.915 12.969 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.704 13.472 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.971 14.369 0.021 1.00 0.00 H new ATOM 505 N PRO A 34 -0.121 12.322 0.494 1.00 0.00 N ATOM 506 CA PRO A 34 1.163 11.649 0.395 1.00 0.00 C ATOM 507 C PRO A 34 0.983 10.177 0.019 1.00 0.00 C ATOM 508 O PRO A 34 1.759 9.634 -0.766 1.00 0.00 O ATOM 509 CB PRO A 34 1.812 11.840 1.757 1.00 0.00 C ATOM 510 CG PRO A 34 0.685 12.205 2.709 1.00 0.00 C ATOM 511 CD PRO A 34 -0.531 12.570 1.873 1.00 0.00 C ATOM 0 HA PRO A 34 1.794 12.059 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.317 10.929 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.565 12.627 1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.457 11.368 3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.977 13.042 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.395 11.963 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.815 13.612 2.020 1.00 0.00 H new ATOM 519 N TRP A 35 -0.045 9.573 0.598 1.00 0.00 N ATOM 520 CA TRP A 35 -0.336 8.175 0.333 1.00 0.00 C ATOM 521 C TRP A 35 -0.306 7.964 -1.182 1.00 0.00 C ATOM 522 O TRP A 35 0.149 6.925 -1.659 1.00 0.00 O ATOM 523 CB TRP A 35 -1.666 7.762 0.968 1.00 0.00 C ATOM 524 CG TRP A 35 -2.195 6.412 0.481 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.937 6.159 -0.606 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.992 5.130 1.113 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.225 4.815 -0.721 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.633 4.169 0.358 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.291 4.795 2.285 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.636 2.809 0.691 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.303 3.431 2.603 1.00 0.00 C ATOM 532 CH2 TRP A 35 -1.943 2.451 1.853 1.00 0.00 C ATOM 0 H TRP A 35 -0.686 10.026 1.249 1.00 0.00 H new ATOM 0 HA TRP A 35 0.417 7.532 0.789 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.544 7.724 2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.411 8.530 0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.268 6.913 -1.305 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.772 4.376 -1.462 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.784 5.531 2.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.146 2.076 0.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.778 3.119 3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.906 1.418 2.166 1.00 0.00 H new ATOM 543 N ARG A 36 -0.797 8.966 -1.897 1.00 0.00 N ATOM 544 CA ARG A 36 -0.832 8.903 -3.348 1.00 0.00 C ATOM 545 C ARG A 36 0.564 9.147 -3.924 1.00 0.00 C ATOM 546 O ARG A 36 1.017 8.409 -4.798 1.00 0.00 O ATOM 547 CB ARG A 36 -1.801 9.939 -3.921 1.00 0.00 C ATOM 548 CG ARG A 36 -2.254 9.548 -5.329 1.00 0.00 C ATOM 549 CD ARG A 36 -3.692 9.027 -5.317 1.00 0.00 C ATOM 550 NE ARG A 36 -4.624 10.105 -5.716 1.00 0.00 N ATOM 551 CZ ARG A 36 -5.824 9.893 -6.273 1.00 0.00 C ATOM 552 NH1 ARG A 36 -6.245 8.642 -6.502 1.00 0.00 N ATOM 553 NH2 ARG A 36 -6.603 10.933 -6.603 1.00 0.00 N ATOM 0 H ARG A 36 -1.174 9.826 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.175 7.907 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.669 10.030 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.319 10.916 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.182 10.411 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.589 8.782 -5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.787 8.182 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.948 8.664 -4.322 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.335 11.070 -5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.652 7.851 -6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.159 8.481 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.282 11.886 -6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.517 10.772 -7.027 1.00 0.00 H new ATOM 567 N THR A 37 1.208 10.185 -3.410 1.00 0.00 N ATOM 568 CA THR A 37 2.544 10.535 -3.862 1.00 0.00 C ATOM 569 C THR A 37 3.482 9.334 -3.735 1.00 0.00 C ATOM 570 O THR A 37 4.158 8.965 -4.694 1.00 0.00 O ATOM 571 CB THR A 37 3.007 11.756 -3.065 1.00 0.00 C ATOM 572 OG1 THR A 37 2.304 12.845 -3.657 1.00 0.00 O ATOM 573 CG2 THR A 37 4.481 12.088 -3.308 1.00 0.00 C ATOM 0 H THR A 37 0.829 10.795 -2.685 1.00 0.00 H new ATOM 0 HA THR A 37 2.548 10.799 -4.920 1.00 0.00 H new ATOM 0 HB THR A 37 2.845 11.578 -2.002 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.544 13.677 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.759 12.962 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.099 11.240 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.637 12.299 -4.366 1.00 0.00 H new ATOM 581 N PHE A 38 3.494 8.756 -2.542 1.00 0.00 N ATOM 582 CA PHE A 38 4.338 7.604 -2.277 1.00 0.00 C ATOM 583 C PHE A 38 4.026 6.461 -3.244 1.00 0.00 C ATOM 584 O PHE A 38 4.908 5.676 -3.589 1.00 0.00 O ATOM 585 CB PHE A 38 4.034 7.146 -0.849 1.00 0.00 C ATOM 586 CG PHE A 38 4.645 8.038 0.234 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.905 8.527 0.082 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.927 8.342 1.349 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.471 9.355 1.087 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.494 9.170 2.354 1.00 0.00 C ATOM 591 CZ PHE A 38 5.754 9.659 2.202 1.00 0.00 C ATOM 0 H PHE A 38 2.932 9.065 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 38 5.386 7.874 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.953 7.113 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.403 6.129 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.475 8.286 -0.803 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.926 7.954 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.471 9.744 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.924 9.411 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.185 10.288 2.966 1.00 0.00 H new ATOM 601 N CYS A 39 2.767 6.403 -3.655 1.00 0.00 N ATOM 602 CA CYS A 39 2.327 5.369 -4.575 1.00 0.00 C ATOM 603 C CYS A 39 2.202 5.988 -5.969 1.00 0.00 C ATOM 604 O CYS A 39 1.598 5.397 -6.863 1.00 0.00 O ATOM 605 CB CYS A 39 1.018 4.724 -4.118 1.00 0.00 C ATOM 606 SG CYS A 39 0.889 3.025 -4.786 1.00 0.00 S ATOM 0 H CYS A 39 2.038 7.056 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 39 3.062 4.565 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.976 4.699 -3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.171 5.322 -4.456 1.00 0.00 H new ATOM 0 HG CYS A 39 0.061 2.335 -4.059 1.00 0.00 H new ATOM 612 N ALA A 40 2.782 7.170 -6.111 1.00 0.00 N ATOM 613 CA ALA A 40 2.743 7.876 -7.380 1.00 0.00 C ATOM 614 C ALA A 40 4.047 7.624 -8.140 1.00 0.00 C ATOM 615 O ALA A 40 4.040 7.007 -9.204 1.00 0.00 O ATOM 616 CB ALA A 40 2.493 9.365 -7.130 1.00 0.00 C ATOM 0 H ALA A 40 3.282 7.657 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 40 1.924 7.507 -7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.464 9.894 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.541 9.493 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.296 9.770 -6.514 1.00 0.00 H new ATOM 622 N SER A 41 5.134 8.114 -7.563 1.00 0.00 N ATOM 623 CA SER A 41 6.443 7.949 -8.172 1.00 0.00 C ATOM 624 C SER A 41 7.514 7.828 -7.087 1.00 0.00 C ATOM 625 O SER A 41 8.616 8.353 -7.236 1.00 0.00 O ATOM 626 CB SER A 41 6.766 9.115 -9.109 1.00 0.00 C ATOM 627 OG SER A 41 8.138 9.129 -9.491 1.00 0.00 O ATOM 0 H SER A 41 5.135 8.625 -6.680 1.00 0.00 H new ATOM 0 HA SER A 41 6.431 7.034 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.142 9.047 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.517 10.055 -8.617 1.00 0.00 H new ATOM 0 HG SER A 41 8.694 9.316 -8.706 1.00 0.00 H new ATOM 633 N GLU A 42 7.153 7.133 -6.018 1.00 0.00 N ATOM 634 CA GLU A 42 8.069 6.936 -4.908 1.00 0.00 C ATOM 635 C GLU A 42 8.391 5.450 -4.742 1.00 0.00 C ATOM 636 O GLU A 42 9.557 5.071 -4.639 1.00 0.00 O ATOM 637 CB GLU A 42 7.497 7.521 -3.615 1.00 0.00 C ATOM 638 CG GLU A 42 8.614 7.857 -2.624 1.00 0.00 C ATOM 639 CD GLU A 42 9.165 9.262 -2.875 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.829 9.822 -3.941 1.00 0.00 O ATOM 641 OE2 GLU A 42 9.910 9.745 -1.995 1.00 0.00 O ATOM 0 H GLU A 42 6.238 6.699 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 42 8.996 7.465 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.924 8.420 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.807 6.808 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.234 7.788 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.417 7.126 -2.714 1.00 0.00 H new ATOM 648 N TRP A 43 7.337 4.647 -4.722 1.00 0.00 N ATOM 649 CA TRP A 43 7.493 3.211 -4.571 1.00 0.00 C ATOM 650 C TRP A 43 7.941 2.639 -5.918 1.00 0.00 C ATOM 651 O TRP A 43 8.844 1.806 -5.973 1.00 0.00 O ATOM 652 CB TRP A 43 6.205 2.571 -4.049 1.00 0.00 C ATOM 653 CG TRP A 43 5.953 2.808 -2.558 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.844 3.132 -1.612 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.683 2.726 -1.878 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.244 3.265 -0.376 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.888 3.010 -0.543 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.403 2.422 -2.374 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.859 3.018 0.406 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.385 2.434 -1.412 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.576 2.718 -0.065 1.00 0.00 C ATOM 0 H TRP A 43 6.371 4.964 -4.808 1.00 0.00 H new ATOM 0 HA TRP A 43 8.254 2.983 -3.825 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.361 2.963 -4.617 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.243 1.498 -4.235 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.899 3.272 -1.793 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.710 3.506 0.499 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.219 2.197 -3.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.045 3.244 1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.381 2.207 -1.740 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.737 2.707 0.616 1.00 0.00 H new ATOM 672 N PRO A 44 7.271 3.122 -6.998 1.00 0.00 N ATOM 673 CA PRO A 44 7.590 2.668 -8.341 1.00 0.00 C ATOM 674 C PRO A 44 8.900 3.288 -8.833 1.00 0.00 C ATOM 675 O PRO A 44 9.321 3.044 -9.962 1.00 0.00 O ATOM 676 CB PRO A 44 6.391 3.065 -9.186 1.00 0.00 C ATOM 677 CG PRO A 44 5.655 4.132 -8.391 1.00 0.00 C ATOM 678 CD PRO A 44 6.195 4.109 -6.970 1.00 0.00 C ATOM 0 HA PRO A 44 7.758 1.592 -8.392 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.707 3.449 -10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.747 2.207 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.804 5.114 -8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.582 3.939 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.565 5.090 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.420 3.830 -6.256 1.00 0.00 H new ATOM 686 N THR A 45 9.507 4.079 -7.960 1.00 0.00 N ATOM 687 CA THR A 45 10.760 4.736 -8.291 1.00 0.00 C ATOM 688 C THR A 45 11.906 4.143 -7.469 1.00 0.00 C ATOM 689 O THR A 45 12.972 4.748 -7.357 1.00 0.00 O ATOM 690 CB THR A 45 10.575 6.240 -8.080 1.00 0.00 C ATOM 691 OG1 THR A 45 9.782 6.330 -6.900 1.00 0.00 O ATOM 692 CG2 THR A 45 9.706 6.881 -9.163 1.00 0.00 C ATOM 0 H THR A 45 9.154 4.280 -7.024 1.00 0.00 H new ATOM 0 HA THR A 45 11.030 4.571 -9.334 1.00 0.00 H new ATOM 0 HB THR A 45 11.550 6.726 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.253 5.900 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.607 7.948 -8.965 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.172 6.734 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.719 6.418 -9.159 1.00 0.00 H new ATOM 700 N PHE A 46 11.649 2.967 -6.916 1.00 0.00 N ATOM 701 CA PHE A 46 12.646 2.286 -6.107 1.00 0.00 C ATOM 702 C PHE A 46 13.378 1.219 -6.924 1.00 0.00 C ATOM 703 O PHE A 46 14.432 0.735 -6.516 1.00 0.00 O ATOM 704 CB PHE A 46 11.901 1.608 -4.956 1.00 0.00 C ATOM 705 CG PHE A 46 11.548 2.550 -3.803 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.722 3.892 -3.943 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.061 2.046 -2.638 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.395 4.766 -2.873 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.734 2.920 -1.567 1.00 0.00 C ATOM 710 CZ PHE A 46 10.908 4.262 -1.708 1.00 0.00 C ATOM 0 H PHE A 46 10.765 2.468 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 46 13.386 3.001 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.984 1.163 -5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.513 0.792 -4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.109 4.293 -4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.923 0.981 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.533 5.831 -2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.348 2.520 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.659 4.927 -0.894 1.00 0.00 H new ATOM 720 N ASP A 47 12.789 0.884 -8.063 1.00 0.00 N ATOM 721 CA ASP A 47 13.372 -0.117 -8.940 1.00 0.00 C ATOM 722 C ASP A 47 13.252 -1.495 -8.285 1.00 0.00 C ATOM 723 O ASP A 47 14.094 -1.875 -7.472 1.00 0.00 O ATOM 724 CB ASP A 47 14.856 0.163 -9.185 1.00 0.00 C ATOM 725 CG ASP A 47 15.231 0.433 -10.644 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.021 -0.487 -11.463 1.00 0.00 O ATOM 727 OD2 ASP A 47 15.719 1.553 -10.906 1.00 0.00 O ATOM 0 H ASP A 47 11.914 1.288 -8.398 1.00 0.00 H new ATOM 0 HA ASP A 47 12.838 -0.086 -9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.152 1.023 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.435 -0.689 -8.829 1.00 0.00 H new ATOM 732 N VAL A 48 12.201 -2.205 -8.665 1.00 0.00 N ATOM 733 CA VAL A 48 11.960 -3.533 -8.125 1.00 0.00 C ATOM 734 C VAL A 48 10.852 -4.213 -8.931 1.00 0.00 C ATOM 735 O VAL A 48 11.126 -5.079 -9.761 1.00 0.00 O ATOM 736 CB VAL A 48 11.642 -3.440 -6.631 1.00 0.00 C ATOM 737 CG1 VAL A 48 12.922 -3.479 -5.794 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.823 -2.186 -6.322 1.00 0.00 C ATOM 0 H VAL A 48 11.506 -1.887 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 48 12.854 -4.151 -8.216 1.00 0.00 H new ATOM 0 HB VAL A 48 11.040 -4.308 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.667 -3.411 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.451 -4.414 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.561 -2.640 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.611 -2.144 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.388 -1.301 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.886 -2.218 -6.877 1.00 0.00 H new ATOM 748 N GLY A 49 9.624 -3.797 -8.658 1.00 0.00 N ATOM 749 CA GLY A 49 8.474 -4.356 -9.348 1.00 0.00 C ATOM 750 C GLY A 49 7.189 -3.628 -8.949 1.00 0.00 C ATOM 751 O GLY A 49 6.120 -4.234 -8.891 1.00 0.00 O ATOM 0 H GLY A 49 9.400 -3.079 -7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.620 -4.280 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.384 -5.416 -9.112 1.00 0.00 H new ATOM 755 N TRP A 50 7.335 -2.338 -8.683 1.00 0.00 N ATOM 756 CA TRP A 50 6.199 -1.521 -8.291 1.00 0.00 C ATOM 757 C TRP A 50 5.811 -0.647 -9.485 1.00 0.00 C ATOM 758 O TRP A 50 6.564 0.242 -9.879 1.00 0.00 O ATOM 759 CB TRP A 50 6.516 -0.709 -7.034 1.00 0.00 C ATOM 760 CG TRP A 50 5.291 -0.056 -6.390 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.806 1.175 -6.602 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.411 -0.653 -5.414 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.682 1.414 -5.837 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.434 0.267 -5.092 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.440 -1.929 -4.824 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.413 0.009 -4.170 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.413 -2.171 -3.904 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.422 -1.255 -3.569 1.00 0.00 C ATOM 0 H TRP A 50 8.223 -1.838 -8.731 1.00 0.00 H new ATOM 0 HA TRP A 50 5.347 -2.147 -8.026 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.994 -1.362 -6.303 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.238 0.067 -7.288 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.240 1.890 -7.285 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.134 2.274 -5.821 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.195 -2.664 -5.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.659 0.746 -3.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.389 -3.137 -3.421 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.662 -1.518 -2.848 1.00 0.00 H new ATOM 779 N PRO A 51 4.605 -0.938 -10.043 1.00 0.00 N ATOM 780 CA PRO A 51 4.108 -0.189 -11.184 1.00 0.00 C ATOM 781 C PRO A 51 3.615 1.196 -10.759 1.00 0.00 C ATOM 782 O PRO A 51 3.534 1.491 -9.567 1.00 0.00 O ATOM 783 CB PRO A 51 3.007 -1.055 -11.774 1.00 0.00 C ATOM 784 CG PRO A 51 2.613 -2.032 -10.678 1.00 0.00 C ATOM 785 CD PRO A 51 3.687 -1.984 -9.603 1.00 0.00 C ATOM 0 HA PRO A 51 4.882 0.009 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.155 -0.448 -12.081 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.358 -1.583 -12.660 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.642 -1.766 -10.260 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.521 -3.041 -11.081 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.260 -1.752 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.196 -2.943 -9.508 1.00 0.00 H new ATOM 793 N PRO A 52 3.292 2.030 -11.783 1.00 0.00 N ATOM 794 CA PRO A 52 2.810 3.377 -11.527 1.00 0.00 C ATOM 795 C PRO A 52 1.360 3.357 -11.039 1.00 0.00 C ATOM 796 O PRO A 52 0.778 4.406 -10.768 1.00 0.00 O ATOM 797 CB PRO A 52 2.983 4.114 -12.845 1.00 0.00 C ATOM 798 CG PRO A 52 3.117 3.037 -13.910 1.00 0.00 C ATOM 799 CD PRO A 52 3.376 1.715 -13.206 1.00 0.00 C ATOM 0 HA PRO A 52 3.362 3.877 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.128 4.759 -13.047 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.866 4.753 -12.822 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.209 2.978 -14.510 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.934 3.273 -14.591 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.638 0.964 -13.490 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.356 1.313 -13.466 1.00 0.00 H new ATOM 807 N GLU A 53 0.818 2.151 -10.942 1.00 0.00 N ATOM 808 CA GLU A 53 -0.553 1.981 -10.492 1.00 0.00 C ATOM 809 C GLU A 53 -0.586 1.205 -9.174 1.00 0.00 C ATOM 810 O GLU A 53 -1.619 1.148 -8.508 1.00 0.00 O ATOM 811 CB GLU A 53 -1.398 1.284 -11.560 1.00 0.00 C ATOM 812 CG GLU A 53 -1.924 2.291 -12.585 1.00 0.00 C ATOM 813 CD GLU A 53 -3.068 3.122 -12.001 1.00 0.00 C ATOM 814 OE1 GLU A 53 -3.121 3.218 -10.756 1.00 0.00 O ATOM 815 OE2 GLU A 53 -3.863 3.643 -12.812 1.00 0.00 O ATOM 0 H GLU A 53 1.304 1.283 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.984 2.967 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.800 0.525 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.235 0.769 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.115 2.950 -12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.270 1.763 -13.474 1.00 0.00 H new ATOM 822 N GLY A 54 0.557 0.626 -8.836 1.00 0.00 N ATOM 823 CA GLY A 54 0.672 -0.145 -7.610 1.00 0.00 C ATOM 824 C GLY A 54 0.339 -1.618 -7.855 1.00 0.00 C ATOM 825 O GLY A 54 -0.045 -1.996 -8.960 1.00 0.00 O ATOM 0 H GLY A 54 1.412 0.676 -9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.684 -0.058 -7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.000 0.263 -6.855 1.00 0.00 H new ATOM 829 N THR A 55 0.498 -2.410 -6.804 1.00 0.00 N ATOM 830 CA THR A 55 0.219 -3.833 -6.892 1.00 0.00 C ATOM 831 C THR A 55 0.035 -4.427 -5.494 1.00 0.00 C ATOM 832 O THR A 55 0.693 -4.005 -4.544 1.00 0.00 O ATOM 833 CB THR A 55 1.350 -4.489 -7.686 1.00 0.00 C ATOM 834 OG1 THR A 55 0.691 -5.467 -8.486 1.00 0.00 O ATOM 835 CG2 THR A 55 2.291 -5.307 -6.799 1.00 0.00 C ATOM 0 H THR A 55 0.816 -2.093 -5.888 1.00 0.00 H new ATOM 0 HA THR A 55 -0.717 -4.021 -7.417 1.00 0.00 H new ATOM 0 HB THR A 55 1.920 -3.720 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.351 -5.939 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.075 -5.751 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.741 -4.657 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.728 -6.097 -6.303 1.00 0.00 H new ATOM 843 N PHE A 56 -0.864 -5.397 -5.411 1.00 0.00 N ATOM 844 CA PHE A 56 -1.144 -6.053 -4.145 1.00 0.00 C ATOM 845 C PHE A 56 -0.332 -7.343 -4.005 1.00 0.00 C ATOM 846 O PHE A 56 -0.863 -8.372 -3.591 1.00 0.00 O ATOM 847 CB PHE A 56 -2.634 -6.399 -4.140 1.00 0.00 C ATOM 848 CG PHE A 56 -3.553 -5.188 -3.971 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.438 -4.394 -2.872 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.486 -4.904 -4.919 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.291 -3.270 -2.715 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.339 -3.780 -4.762 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.224 -2.987 -3.663 1.00 0.00 C ATOM 0 H PHE A 56 -1.408 -5.745 -6.201 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.877 -5.395 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.883 -6.903 -5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.830 -7.106 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.697 -4.619 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.578 -5.534 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.199 -2.640 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.079 -3.555 -5.515 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.874 -2.133 -3.543 1.00 0.00 H new ATOM 863 N ASP A 57 0.941 -7.244 -4.359 1.00 0.00 N ATOM 864 CA ASP A 57 1.830 -8.390 -4.278 1.00 0.00 C ATOM 865 C ASP A 57 2.756 -8.228 -3.070 1.00 0.00 C ATOM 866 O ASP A 57 3.731 -7.479 -3.127 1.00 0.00 O ATOM 867 CB ASP A 57 2.702 -8.500 -5.530 1.00 0.00 C ATOM 868 CG ASP A 57 3.528 -9.784 -5.632 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.213 -10.724 -4.871 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.457 -9.797 -6.469 1.00 0.00 O ATOM 0 H ASP A 57 1.377 -6.388 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 57 1.217 -9.286 -4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.061 -8.428 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.380 -7.647 -5.559 1.00 0.00 H new ATOM 875 N LEU A 58 2.418 -8.941 -2.006 1.00 0.00 N ATOM 876 CA LEU A 58 3.206 -8.885 -0.787 1.00 0.00 C ATOM 877 C LEU A 58 4.686 -9.066 -1.132 1.00 0.00 C ATOM 878 O LEU A 58 5.559 -8.582 -0.413 1.00 0.00 O ATOM 879 CB LEU A 58 2.686 -9.897 0.235 1.00 0.00 C ATOM 880 CG LEU A 58 3.285 -9.802 1.640 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.396 -8.964 2.560 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.557 -11.193 2.216 1.00 0.00 C ATOM 0 H LEU A 58 1.609 -9.561 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 58 3.105 -7.908 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.605 -9.780 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.871 -10.900 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 58 4.245 -9.291 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.845 -8.913 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.298 -7.957 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.410 -9.424 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.982 -11.096 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.623 -11.753 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.259 -11.722 1.572 1.00 0.00 H new ATOM 894 N THR A 59 4.922 -9.764 -2.233 1.00 0.00 N ATOM 895 CA THR A 59 6.281 -10.015 -2.683 1.00 0.00 C ATOM 896 C THR A 59 6.984 -8.697 -3.016 1.00 0.00 C ATOM 897 O THR A 59 8.066 -8.420 -2.501 1.00 0.00 O ATOM 898 CB THR A 59 6.216 -10.985 -3.865 1.00 0.00 C ATOM 899 OG1 THR A 59 5.712 -12.190 -3.297 1.00 0.00 O ATOM 900 CG2 THR A 59 7.604 -11.369 -4.383 1.00 0.00 C ATOM 0 H THR A 59 4.195 -10.164 -2.827 1.00 0.00 H new ATOM 0 HA THR A 59 6.879 -10.477 -1.898 1.00 0.00 H new ATOM 0 HB THR A 59 5.638 -10.536 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.636 -12.874 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.502 -12.058 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.130 -10.473 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.170 -11.849 -3.585 1.00 0.00 H new ATOM 908 N VAL A 60 6.341 -7.921 -3.876 1.00 0.00 N ATOM 909 CA VAL A 60 6.891 -6.640 -4.284 1.00 0.00 C ATOM 910 C VAL A 60 6.824 -5.663 -3.108 1.00 0.00 C ATOM 911 O VAL A 60 7.762 -4.904 -2.872 1.00 0.00 O ATOM 912 CB VAL A 60 6.162 -6.129 -5.528 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.910 -5.337 -5.143 1.00 0.00 C ATOM 914 CG2 VAL A 60 7.094 -5.290 -6.404 1.00 0.00 C ATOM 0 H VAL A 60 5.444 -8.155 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 60 7.940 -6.746 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 60 5.845 -6.995 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.410 -4.985 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.232 -5.979 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.195 -4.482 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.551 -4.939 -7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.455 -4.434 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.941 -5.898 -6.721 1.00 0.00 H new ATOM 924 N ILE A 61 5.704 -5.714 -2.401 1.00 0.00 N ATOM 925 CA ILE A 61 5.502 -4.843 -1.256 1.00 0.00 C ATOM 926 C ILE A 61 6.673 -5.006 -0.284 1.00 0.00 C ATOM 927 O ILE A 61 7.250 -4.019 0.168 1.00 0.00 O ATOM 928 CB ILE A 61 4.135 -5.103 -0.620 1.00 0.00 C ATOM 929 CG1 ILE A 61 3.004 -4.659 -1.551 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.036 -4.443 0.757 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.675 -5.296 -1.142 1.00 0.00 C ATOM 0 H ILE A 61 4.927 -6.345 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 61 5.489 -3.799 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 61 4.027 -6.177 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.913 -3.573 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.243 -4.936 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.055 -4.643 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.808 -4.848 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.175 -3.367 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.889 -4.964 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.762 -6.381 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.426 -4.997 -0.124 1.00 0.00 H new ATOM 943 N PHE A 62 6.987 -6.259 0.009 1.00 0.00 N ATOM 944 CA PHE A 62 8.079 -6.564 0.919 1.00 0.00 C ATOM 945 C PHE A 62 9.377 -5.897 0.460 1.00 0.00 C ATOM 946 O PHE A 62 10.195 -5.491 1.284 1.00 0.00 O ATOM 947 CB PHE A 62 8.265 -8.082 0.901 1.00 0.00 C ATOM 948 CG PHE A 62 7.935 -8.765 2.229 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.660 -8.750 2.704 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.916 -9.388 2.936 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.354 -9.384 3.937 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.610 -10.022 4.169 1.00 0.00 C ATOM 953 CZ PHE A 62 7.335 -10.007 4.643 1.00 0.00 C ATOM 0 H PHE A 62 6.505 -7.075 -0.367 1.00 0.00 H new ATOM 0 HA PHE A 62 7.846 -6.195 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.634 -8.506 0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.297 -8.308 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.881 -8.256 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.928 -9.400 2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.342 -9.371 4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.389 -10.516 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.102 -10.490 5.580 1.00 0.00 H new ATOM 963 N GLU A 63 9.526 -5.804 -0.853 1.00 0.00 N ATOM 964 CA GLU A 63 10.711 -5.193 -1.431 1.00 0.00 C ATOM 965 C GLU A 63 10.721 -3.689 -1.154 1.00 0.00 C ATOM 966 O GLU A 63 11.706 -3.154 -0.647 1.00 0.00 O ATOM 967 CB GLU A 63 10.796 -5.475 -2.932 1.00 0.00 C ATOM 968 CG GLU A 63 11.199 -6.927 -3.196 1.00 0.00 C ATOM 969 CD GLU A 63 12.618 -7.009 -3.761 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.555 -6.717 -2.987 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.734 -7.362 -4.955 1.00 0.00 O ATOM 0 H GLU A 63 8.845 -6.142 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 63 11.590 -5.635 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.832 -5.271 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.521 -4.803 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.139 -7.499 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.498 -7.381 -3.897 1.00 0.00 H new ATOM 978 N VAL A 64 9.614 -3.048 -1.499 1.00 0.00 N ATOM 979 CA VAL A 64 9.483 -1.616 -1.294 1.00 0.00 C ATOM 980 C VAL A 64 9.496 -1.316 0.206 1.00 0.00 C ATOM 981 O VAL A 64 10.088 -0.329 0.641 1.00 0.00 O ATOM 982 CB VAL A 64 8.225 -1.099 -1.996 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.742 0.207 -1.363 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.467 -0.925 -3.496 1.00 0.00 C ATOM 0 H VAL A 64 8.799 -3.495 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 64 10.327 -1.089 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 64 7.439 -1.844 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.847 0.553 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.511 0.038 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.524 0.962 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.558 -0.557 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.274 -0.210 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.742 -1.885 -3.934 1.00 0.00 H new ATOM 994 N LYS A 65 8.837 -2.187 0.957 1.00 0.00 N ATOM 995 CA LYS A 65 8.765 -2.028 2.399 1.00 0.00 C ATOM 996 C LYS A 65 10.159 -2.222 2.999 1.00 0.00 C ATOM 997 O LYS A 65 10.629 -1.387 3.770 1.00 0.00 O ATOM 998 CB LYS A 65 7.706 -2.961 2.989 1.00 0.00 C ATOM 999 CG LYS A 65 7.745 -2.938 4.519 1.00 0.00 C ATOM 1000 CD LYS A 65 7.176 -4.233 5.101 1.00 0.00 C ATOM 1001 CE LYS A 65 7.802 -4.544 6.462 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.346 -5.920 6.480 1.00 0.00 N ATOM 0 H LYS A 65 8.348 -3.005 0.593 1.00 0.00 H new ATOM 0 HA LYS A 65 8.445 -1.018 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.717 -2.660 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.873 -3.978 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.772 -2.803 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.173 -2.087 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.095 -4.144 5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.363 -5.058 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.597 -3.829 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.054 -4.432 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.767 -6.115 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.579 -6.599 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.074 -6.015 5.744 1.00 0.00 H new ATOM 1016 N ALA A 66 10.781 -3.330 2.623 1.00 0.00 N ATOM 1017 CA ALA A 66 12.112 -3.644 3.114 1.00 0.00 C ATOM 1018 C ALA A 66 13.035 -2.447 2.878 1.00 0.00 C ATOM 1019 O ALA A 66 14.037 -2.284 3.572 1.00 0.00 O ATOM 1020 CB ALA A 66 12.621 -4.916 2.431 1.00 0.00 C ATOM 0 H ALA A 66 10.388 -4.021 1.984 1.00 0.00 H new ATOM 0 HA ALA A 66 12.089 -3.836 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.619 -5.152 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.947 -5.743 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.659 -4.760 1.353 1.00 0.00 H new ATOM 1026 N ILE A 67 12.663 -1.639 1.895 1.00 0.00 N ATOM 1027 CA ILE A 67 13.445 -0.461 1.559 1.00 0.00 C ATOM 1028 C ILE A 67 13.141 0.651 2.564 1.00 0.00 C ATOM 1029 O ILE A 67 14.053 1.209 3.173 1.00 0.00 O ATOM 1030 CB ILE A 67 13.205 -0.057 0.103 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.791 -1.094 -0.858 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.745 1.348 -0.172 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.181 -0.955 -2.254 1.00 0.00 C ATOM 0 H ILE A 67 11.831 -1.777 1.321 1.00 0.00 H new ATOM 0 HA ILE A 67 14.511 -0.676 1.635 1.00 0.00 H new ATOM 0 HB ILE A 67 12.129 -0.029 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.872 -0.971 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.605 -2.097 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.562 1.611 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.242 2.065 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.817 1.371 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.615 -1.704 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.103 -1.103 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.390 0.041 -2.645 1.00 0.00 H new ATOM 1045 N VAL A 68 11.856 0.942 2.706 1.00 0.00 N ATOM 1046 CA VAL A 68 11.420 1.978 3.627 1.00 0.00 C ATOM 1047 C VAL A 68 11.740 1.548 5.060 1.00 0.00 C ATOM 1048 O VAL A 68 12.076 2.380 5.901 1.00 0.00 O ATOM 1049 CB VAL A 68 9.936 2.281 3.410 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.567 2.181 1.928 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.059 1.357 4.257 1.00 0.00 C ATOM 0 H VAL A 68 11.103 0.478 2.198 1.00 0.00 H new ATOM 0 HA VAL A 68 11.958 2.907 3.439 1.00 0.00 H new ATOM 0 HB VAL A 68 9.752 3.306 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.507 2.401 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.157 2.898 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.774 1.173 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.009 1.593 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.248 0.320 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.294 1.499 5.312 1.00 0.00 H new ATOM 1061 N PHE A 69 11.623 0.249 5.294 1.00 0.00 N ATOM 1062 CA PHE A 69 11.895 -0.302 6.611 1.00 0.00 C ATOM 1063 C PHE A 69 13.341 -0.790 6.713 1.00 0.00 C ATOM 1064 O PHE A 69 13.630 -1.740 7.439 1.00 0.00 O ATOM 1065 CB PHE A 69 10.953 -1.493 6.801 1.00 0.00 C ATOM 1066 CG PHE A 69 9.589 -1.120 7.385 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.423 -1.048 8.733 1.00 0.00 C ATOM 1068 CD2 PHE A 69 8.542 -0.861 6.556 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.157 -0.702 9.275 1.00 0.00 C ATOM 1070 CE2 PHE A 69 7.276 -0.515 7.098 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.110 -0.443 8.446 1.00 0.00 C ATOM 0 H PHE A 69 11.343 -0.438 4.594 1.00 0.00 H new ATOM 0 HA PHE A 69 11.743 0.463 7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.803 -1.982 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.431 -2.220 7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.254 -1.254 9.391 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.674 -0.919 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.025 -0.644 10.345 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.445 -0.309 6.440 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.147 -0.180 8.858 1.00 0.00 H new ATOM 1081 N GLN A 70 14.213 -0.117 5.975 1.00 0.00 N ATOM 1082 CA GLN A 70 15.622 -0.470 5.973 1.00 0.00 C ATOM 1083 C GLN A 70 16.352 0.254 7.107 1.00 0.00 C ATOM 1084 O GLN A 70 15.719 0.862 7.968 1.00 0.00 O ATOM 1085 CB GLN A 70 16.264 -0.158 4.620 1.00 0.00 C ATOM 1086 CG GLN A 70 16.605 1.329 4.505 1.00 0.00 C ATOM 1087 CD GLN A 70 17.352 1.621 3.203 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.562 1.496 3.110 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.567 2.018 2.205 1.00 0.00 N ATOM 0 H GLN A 70 13.970 0.671 5.375 1.00 0.00 H new ATOM 0 HA GLN A 70 15.708 -1.544 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.169 -0.753 4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.584 -0.442 3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.690 1.920 4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.216 1.632 5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.561 2.102 2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.971 2.239 1.295 1.00 0.00 H new ATOM 1149 N HIS A 76 12.561 5.014 5.149 1.00 0.00 N ATOM 1150 CA HIS A 76 11.467 5.968 5.188 1.00 0.00 C ATOM 1151 C HIS A 76 10.466 5.557 6.270 1.00 0.00 C ATOM 1152 O HIS A 76 9.588 4.731 6.027 1.00 0.00 O ATOM 1153 CB HIS A 76 10.822 6.112 3.808 1.00 0.00 C ATOM 1154 CG HIS A 76 11.766 5.851 2.659 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.745 6.750 2.274 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.871 4.783 1.817 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.403 6.236 1.245 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.860 5.018 0.963 1.00 0.00 N ATOM 0 HA HIS A 76 11.849 6.954 5.451 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.981 5.422 3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.417 7.119 3.711 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.254 3.897 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.225 6.701 0.722 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.164 4.390 0.218 1.00 0.00 H new ATOM 1166 N PRO A 77 10.637 6.169 7.473 1.00 0.00 N ATOM 1167 CA PRO A 77 9.759 5.876 8.593 1.00 0.00 C ATOM 1168 C PRO A 77 8.394 6.542 8.409 1.00 0.00 C ATOM 1169 O PRO A 77 7.478 6.317 9.199 1.00 0.00 O ATOM 1170 CB PRO A 77 10.504 6.377 9.819 1.00 0.00 C ATOM 1171 CG PRO A 77 11.554 7.346 9.300 1.00 0.00 C ATOM 1172 CD PRO A 77 11.666 7.152 7.797 1.00 0.00 C ATOM 0 HA PRO A 77 9.536 4.813 8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.825 6.872 10.514 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.967 5.551 10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.273 8.373 9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.514 7.162 9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.501 8.088 7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.657 6.795 7.516 1.00 0.00 H new ATOM 1180 N ASP A 78 8.301 7.348 7.362 1.00 0.00 N ATOM 1181 CA ASP A 78 7.063 8.048 7.064 1.00 0.00 C ATOM 1182 C ASP A 78 6.148 7.134 6.247 1.00 0.00 C ATOM 1183 O ASP A 78 4.933 7.135 6.437 1.00 0.00 O ATOM 1184 CB ASP A 78 7.328 9.310 6.240 1.00 0.00 C ATOM 1185 CG ASP A 78 7.810 10.519 7.045 1.00 0.00 C ATOM 1186 OD1 ASP A 78 8.235 10.299 8.200 1.00 0.00 O ATOM 1187 OD2 ASP A 78 7.742 11.635 6.487 1.00 0.00 O ATOM 0 H ASP A 78 9.063 7.532 6.709 1.00 0.00 H new ATOM 0 HA ASP A 78 6.597 8.326 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.073 9.079 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.412 9.583 5.717 1.00 0.00 H new ATOM 1192 N GLN A 79 6.768 6.375 5.355 1.00 0.00 N ATOM 1193 CA GLN A 79 6.025 5.457 4.508 1.00 0.00 C ATOM 1194 C GLN A 79 5.864 4.104 5.205 1.00 0.00 C ATOM 1195 O GLN A 79 5.033 3.291 4.804 1.00 0.00 O ATOM 1196 CB GLN A 79 6.703 5.296 3.147 1.00 0.00 C ATOM 1197 CG GLN A 79 6.806 6.640 2.423 1.00 0.00 C ATOM 1198 CD GLN A 79 7.867 6.589 1.321 1.00 0.00 C ATOM 1199 OE1 GLN A 79 7.808 5.788 0.403 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.838 7.487 1.464 1.00 0.00 N ATOM 0 H GLN A 79 7.776 6.377 5.200 1.00 0.00 H new ATOM 0 HA GLN A 79 5.033 5.875 4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.699 4.874 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.138 4.592 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.840 6.899 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.056 7.424 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.827 8.129 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.594 7.534 0.781 1.00 0.00 H new ATOM 1209 N GLN A 80 6.673 3.905 6.235 1.00 0.00 N ATOM 1210 CA GLN A 80 6.631 2.665 6.991 1.00 0.00 C ATOM 1211 C GLN A 80 5.186 2.310 7.349 1.00 0.00 C ATOM 1212 O GLN A 80 4.752 1.178 7.143 1.00 0.00 O ATOM 1213 CB GLN A 80 7.500 2.758 8.247 1.00 0.00 C ATOM 1214 CG GLN A 80 8.884 2.155 8.002 1.00 0.00 C ATOM 1215 CD GLN A 80 9.832 2.471 9.160 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.427 2.656 10.296 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.115 2.521 8.811 1.00 0.00 N ATOM 0 H GLN A 80 7.362 4.582 6.564 1.00 0.00 H new ATOM 0 HA GLN A 80 7.037 1.868 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.602 3.801 8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.012 2.236 9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.798 1.075 7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.296 2.547 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.387 2.356 7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.827 2.724 9.513 1.00 0.00 H new ATOM 1226 N PRO A 81 4.463 3.325 7.893 1.00 0.00 N ATOM 1227 CA PRO A 81 3.076 3.131 8.281 1.00 0.00 C ATOM 1228 C PRO A 81 2.163 3.092 7.054 1.00 0.00 C ATOM 1229 O PRO A 81 1.053 2.567 7.118 1.00 0.00 O ATOM 1230 CB PRO A 81 2.764 4.288 9.217 1.00 0.00 C ATOM 1231 CG PRO A 81 3.833 5.337 8.953 1.00 0.00 C ATOM 1232 CD PRO A 81 4.944 4.679 8.151 1.00 0.00 C ATOM 0 HA PRO A 81 2.908 2.176 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.768 4.688 9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.783 3.965 10.258 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.413 6.180 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.222 5.731 9.892 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.133 5.216 7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.881 4.667 8.708 1.00 0.00 H new ATOM 1240 N TYR A 82 2.666 3.654 5.964 1.00 0.00 N ATOM 1241 CA TYR A 82 1.909 3.690 4.724 1.00 0.00 C ATOM 1242 C TYR A 82 1.996 2.351 3.990 1.00 0.00 C ATOM 1243 O TYR A 82 0.976 1.794 3.584 1.00 0.00 O ATOM 1244 CB TYR A 82 2.563 4.773 3.863 1.00 0.00 C ATOM 1245 CG TYR A 82 2.302 6.199 4.353 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.658 6.564 5.635 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.710 7.120 3.512 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.413 7.906 6.096 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.465 8.462 3.973 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.828 8.789 5.242 1.00 0.00 C ATOM 1251 OH TYR A 82 1.597 10.057 5.677 1.00 0.00 O ATOM 0 H TYR A 82 3.588 4.088 5.914 1.00 0.00 H new ATOM 0 HA TYR A 82 0.856 3.892 4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.639 4.600 3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.199 4.679 2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.120 5.843 6.293 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.431 6.834 2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.687 8.205 7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.003 9.193 3.325 1.00 0.00 H new ATOM 0 HH TYR A 82 1.945 10.696 5.021 1.00 0.00 H new ATOM 1261 N ILE A 83 3.222 1.872 3.842 1.00 0.00 N ATOM 1262 CA ILE A 83 3.455 0.608 3.164 1.00 0.00 C ATOM 1263 C ILE A 83 2.920 -0.536 4.028 1.00 0.00 C ATOM 1264 O ILE A 83 2.430 -1.536 3.506 1.00 0.00 O ATOM 1265 CB ILE A 83 4.933 0.461 2.796 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.161 -0.777 1.927 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.811 0.454 4.048 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.223 -0.781 0.719 1.00 0.00 C ATOM 0 H ILE A 83 4.065 2.336 4.180 1.00 0.00 H new ATOM 0 HA ILE A 83 2.911 0.577 2.220 1.00 0.00 H new ATOM 0 HB ILE A 83 5.226 1.328 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.197 -0.801 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.999 -1.677 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.857 0.348 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.678 1.390 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.526 -0.381 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.407 -1.672 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.188 -0.781 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.405 0.108 0.114 1.00 0.00 H new ATOM 1280 N THR A 84 3.032 -0.349 5.335 1.00 0.00 N ATOM 1281 CA THR A 84 2.566 -1.353 6.277 1.00 0.00 C ATOM 1282 C THR A 84 1.107 -1.715 5.991 1.00 0.00 C ATOM 1283 O THR A 84 0.745 -2.891 5.988 1.00 0.00 O ATOM 1284 CB THR A 84 2.793 -0.816 7.691 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.147 -1.155 7.978 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.987 -1.579 8.744 1.00 0.00 C ATOM 0 H THR A 84 3.438 0.482 5.764 1.00 0.00 H new ATOM 0 HA THR A 84 3.125 -2.283 6.174 1.00 0.00 H new ATOM 0 HB THR A 84 2.526 0.240 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.744 -0.505 7.552 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.185 -1.157 9.730 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.924 -1.494 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.277 -2.630 8.734 1.00 0.00 H new ATOM 1294 N VAL A 85 0.309 -0.684 5.758 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.102 -0.879 5.472 1.00 0.00 C ATOM 1296 C VAL A 85 -1.250 -1.673 4.173 1.00 0.00 C ATOM 1297 O VAL A 85 -2.141 -2.512 4.052 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.819 0.472 5.432 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.226 0.329 4.847 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.866 1.110 6.822 1.00 0.00 C ATOM 0 H VAL A 85 0.613 0.290 5.761 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.575 -1.460 6.263 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.250 1.134 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.714 1.304 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.160 -0.062 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.808 -0.357 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.381 2.069 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.400 0.451 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.850 1.265 7.186 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.363 -1.380 3.234 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.383 -2.056 1.948 1.00 0.00 C ATOM 1312 C TRP A 86 -0.161 -3.549 2.195 1.00 0.00 C ATOM 1313 O TRP A 86 -0.899 -4.385 1.677 1.00 0.00 O ATOM 1314 CB TRP A 86 0.645 -1.448 0.992 1.00 0.00 C ATOM 1315 CG TRP A 86 0.119 -0.260 0.185 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.073 1.029 0.549 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.436 -0.304 -1.147 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.470 1.816 -0.446 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.789 0.980 -1.510 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.633 -1.392 -2.015 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.362 1.296 -2.748 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.206 -1.059 -3.248 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.568 0.228 -3.629 1.00 0.00 C ATOM 0 H TRP A 86 0.375 -0.683 3.338 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.348 -1.924 1.458 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.514 -1.127 1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.985 -2.220 0.302 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.418 1.405 1.501 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.611 2.825 -0.408 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.364 -2.404 -1.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.630 2.309 -3.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.379 -1.858 -3.953 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.006 0.403 -4.600 1.00 0.00 H new ATOM 1334 N GLN A 87 0.861 -3.839 2.988 1.00 0.00 N ATOM 1335 CA GLN A 87 1.190 -5.217 3.310 1.00 0.00 C ATOM 1336 C GLN A 87 0.001 -5.903 3.986 1.00 0.00 C ATOM 1337 O GLN A 87 -0.222 -7.098 3.794 1.00 0.00 O ATOM 1338 CB GLN A 87 2.438 -5.290 4.192 1.00 0.00 C ATOM 1339 CG GLN A 87 2.585 -6.678 4.820 1.00 0.00 C ATOM 1340 CD GLN A 87 2.345 -6.625 6.330 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.223 -6.654 6.808 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.459 -6.544 7.053 1.00 0.00 N ATOM 0 H GLN A 87 1.471 -3.143 3.417 1.00 0.00 H new ATOM 0 HA GLN A 87 1.409 -5.744 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.322 -5.061 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.378 -4.536 4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.876 -7.366 4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.583 -7.068 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.367 -6.524 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.405 -6.502 8.071 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.732 -5.118 4.761 1.00 0.00 N ATOM 1352 CA ASP A 88 -1.893 -5.634 5.466 1.00 0.00 C ATOM 1353 C ASP A 88 -3.039 -5.834 4.473 1.00 0.00 C ATOM 1354 O ASP A 88 -3.889 -6.703 4.666 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.365 -4.655 6.542 1.00 0.00 C ATOM 1356 CG ASP A 88 -2.682 -5.288 7.899 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -3.567 -6.170 7.921 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -2.031 -4.875 8.883 1.00 0.00 O ATOM 0 H ASP A 88 -0.544 -4.128 4.916 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.611 -6.576 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.596 -3.895 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.256 -4.143 6.180 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.027 -5.016 3.431 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.055 -5.092 2.407 1.00 0.00 C ATOM 1365 C LEU A 89 -3.937 -6.427 1.670 1.00 0.00 C ATOM 1366 O LEU A 89 -4.906 -7.180 1.582 1.00 0.00 O ATOM 1367 CB LEU A 89 -3.986 -3.872 1.486 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.727 -2.624 1.969 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.156 -1.362 1.319 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.233 -2.757 1.737 1.00 0.00 C ATOM 0 H LEU A 89 -2.321 -4.297 3.274 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.046 -5.064 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.938 -3.613 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.386 -4.154 0.512 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.574 -2.530 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.700 -0.489 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.102 -1.265 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.259 -1.432 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.736 -1.857 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.427 -2.888 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.610 -3.621 2.284 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.741 -6.680 1.158 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.483 -7.911 0.431 1.00 0.00 C ATOM 1384 C VAL A 90 -2.805 -9.107 1.330 1.00 0.00 C ATOM 1385 O VAL A 90 -3.450 -10.060 0.895 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.043 -7.922 -0.086 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.801 -6.766 -1.059 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.045 -7.883 1.072 1.00 0.00 C ATOM 0 H VAL A 90 -1.940 -6.053 1.233 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.129 -7.980 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.889 -8.854 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.230 -6.797 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.478 -6.858 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.983 -5.819 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.971 -7.892 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.200 -6.975 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.194 -8.754 1.710 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.340 -9.017 2.568 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.570 -10.079 3.532 1.00 0.00 C ATOM 1400 C GLN A 91 -4.069 -10.359 3.667 1.00 0.00 C ATOM 1401 O GLN A 91 -4.541 -11.429 3.286 1.00 0.00 O ATOM 1402 CB GLN A 91 -1.953 -9.731 4.888 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.457 -10.051 4.908 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.201 -11.442 5.492 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.099 -12.252 5.649 1.00 0.00 O ATOM 1406 NE2 GLN A 91 1.071 -11.671 5.805 1.00 0.00 N ATOM 0 H GLN A 91 -1.805 -8.225 2.925 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.083 -10.984 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.105 -8.673 5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.459 -10.290 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.057 -9.999 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.071 -9.302 5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.773 -10.948 5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.345 -12.570 6.203 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.775 -9.378 4.210 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.210 -9.504 4.399 1.00 0.00 C ATOM 1417 C ASN A 92 -6.933 -8.938 3.176 1.00 0.00 C ATOM 1418 O ASN A 92 -7.679 -7.966 3.286 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.674 -8.721 5.629 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.629 -9.593 6.885 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.556 -10.320 7.201 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.501 -9.481 7.580 1.00 0.00 N ATOM 0 H ASN A 92 -4.380 -8.492 4.525 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.441 -10.560 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.040 -7.845 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.689 -8.357 5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.372 -10.023 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.764 -8.853 7.259 1.00 0.00 H new ATOM 1429 N SER A 93 -6.689 -9.571 2.038 1.00 0.00 N ATOM 1430 CA SER A 93 -7.308 -9.143 0.796 1.00 0.00 C ATOM 1431 C SER A 93 -8.769 -8.762 1.043 1.00 0.00 C ATOM 1432 O SER A 93 -9.587 -9.614 1.385 1.00 0.00 O ATOM 1433 CB SER A 93 -7.218 -10.236 -0.271 1.00 0.00 C ATOM 1434 OG SER A 93 -7.975 -11.390 0.083 1.00 0.00 O ATOM 0 H SER A 93 -6.071 -10.377 1.950 1.00 0.00 H new ATOM 0 HA SER A 93 -6.768 -8.270 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.577 -9.844 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.175 -10.517 -0.415 1.00 0.00 H new ATOM 0 HG SER A 93 -8.743 -11.122 0.630 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.060 -7.446 0.855 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.408 -6.942 1.054 1.00 0.00 C ATOM 1442 C PRO A 94 -11.321 -7.345 -0.105 1.00 0.00 C ATOM 1443 O PRO A 94 -10.844 -7.760 -1.161 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.249 -5.436 1.189 1.00 0.00 C ATOM 1445 CG PRO A 94 -8.887 -5.107 0.600 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.116 -6.408 0.450 1.00 0.00 C ATOM 0 HA PRO A 94 -10.887 -7.360 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.042 -4.910 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.308 -5.129 2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.998 -4.616 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.348 -4.417 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.783 -6.555 -0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.225 -6.415 1.078 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.652 -7.206 0.136 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.636 -7.551 -0.876 1.00 0.00 C ATOM 1456 C PRO A 95 -13.689 -6.487 -1.975 1.00 0.00 C ATOM 1457 O PRO A 95 -14.110 -6.768 -3.096 1.00 0.00 O ATOM 1458 CB PRO A 95 -14.947 -7.688 -0.119 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.743 -6.964 1.202 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.253 -6.718 1.374 1.00 0.00 C ATOM 0 HA PRO A 95 -13.394 -8.476 -1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.771 -7.249 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.196 -8.737 0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.289 -6.021 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.129 -7.561 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.041 -5.660 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.861 -7.250 2.241 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.255 -5.288 -1.615 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.247 -4.182 -2.556 1.00 0.00 C ATOM 1470 C TRP A 96 -12.003 -4.319 -3.437 1.00 0.00 C ATOM 1471 O TRP A 96 -11.863 -3.612 -4.434 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.317 -2.839 -1.825 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.291 -2.690 -0.700 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.433 -3.010 0.594 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -10.952 -2.165 -0.821 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.288 -2.732 1.312 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.359 -2.202 0.425 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.265 -1.676 -1.946 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.051 -1.763 0.664 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -8.959 -1.242 -1.690 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.347 -1.272 -0.442 1.00 0.00 C ATOM 0 H TRP A 96 -12.906 -5.059 -0.684 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.130 -4.212 -3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.169 -2.036 -2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.317 -2.714 -1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.331 -3.432 1.021 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.149 -2.887 2.311 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.710 -1.638 -2.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.609 -1.801 1.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.386 -0.857 -2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.333 -0.918 -0.326 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.132 -5.233 -3.037 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.905 -5.472 -3.777 1.00 0.00 C ATOM 1494 C ILE A 97 -10.077 -6.712 -4.656 1.00 0.00 C ATOM 1495 O ILE A 97 -9.911 -6.644 -5.873 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.711 -5.555 -2.823 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.092 -4.174 -2.598 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.681 -6.570 -3.321 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -6.784 -4.281 -1.812 1.00 0.00 C ATOM 0 H ILE A 97 -11.252 -5.817 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.694 -4.636 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.070 -5.908 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.905 -3.695 -3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.795 -3.540 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.843 -6.609 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.144 -7.555 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.321 -6.270 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.365 -3.285 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.979 -4.739 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.075 -4.895 -2.367 1.00 0.00 H new