USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=17 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 Set 1.1: A 65 LYS NZ :NH3+ -160:sc= -0.274 (180deg=-1.22) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.41 K(o=-1.7,f=-8.7!) USER MOD Single : A 7 THR OG1 : rot -37:sc= 0.564 USER MOD Single : A 10 SER OG : rot -65:sc= 0.00247 USER MOD Single : A 12 THR OG1 : rot -98:sc= -2.46! USER MOD Single : A 15 HIS : no HD1:sc= -5.44! K(o=-5.4!,f=-1.5) 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= -0.422 X(o=-0.42,f=-0.15) USER MOD Single : A 25 ASN : amide:sc= -0.063 X(o=-0.063,f=-0.34) USER MOD Single : A 27 SER OG : rot -59:sc= 0.0341 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= -3.78! (180deg=-3.85!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 152:sc= -0.852 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 175:sc= -3.49! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 94:sc= 0.271 USER MOD Single : A 70 GLN : amide:sc= 1.29 K(o=1.3,f=-0.085) USER MOD Single : A 76 HIS : no HD1:sc= -3.94! K(o=-3.9!,f=-0.59) USER MOD Single : A 79 GLN : amide:sc= -4.98! C(o=-5!,f=-6.5!) USER MOD Single : A 80 GLN : amide:sc= -0.434 K(o=-0.43,f=-1.4) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.543 USER MOD Single : A 84 THR OG1 : rot 68:sc= 1.32 USER MOD Single : A 91 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.0002) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 17:sc= 0.841 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.560 -0.504 -10.456 1.00 0.00 N ATOM 67 CA THR A 7 -6.195 -0.380 -9.974 1.00 0.00 C ATOM 68 C THR A 7 -6.165 -0.412 -8.444 1.00 0.00 C ATOM 69 O THR A 7 -7.188 -0.205 -7.795 1.00 0.00 O ATOM 70 CB THR A 7 -5.599 0.898 -10.567 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.673 1.834 -10.528 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.280 0.759 -12.057 1.00 0.00 C ATOM 0 HA THR A 7 -5.583 -1.222 -10.297 1.00 0.00 H new ATOM 0 HB THR A 7 -4.691 1.160 -10.024 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.516 1.373 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.860 1.694 -12.428 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.559 -0.046 -12.201 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.194 0.530 -12.605 1.00 0.00 H new ATOM 80 N PRO A 8 -4.948 -0.680 -7.900 1.00 0.00 N ATOM 81 CA PRO A 8 -4.770 -0.742 -6.459 1.00 0.00 C ATOM 82 C PRO A 8 -4.775 0.660 -5.845 1.00 0.00 C ATOM 83 O PRO A 8 -5.481 0.912 -4.869 1.00 0.00 O ATOM 84 CB PRO A 8 -3.454 -1.474 -6.256 1.00 0.00 C ATOM 85 CG PRO A 8 -2.718 -1.385 -7.583 1.00 0.00 C ATOM 86 CD PRO A 8 -3.713 -0.929 -8.638 1.00 0.00 C ATOM 0 HA PRO A 8 -5.583 -1.266 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.872 -1.017 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.625 -2.513 -5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.888 -0.683 -7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.295 -2.353 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.367 -0.029 -9.146 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.856 -1.692 -9.403 1.00 0.00 H new ATOM 94 N LEU A 9 -3.980 1.535 -6.442 1.00 0.00 N ATOM 95 CA LEU A 9 -3.884 2.905 -5.966 1.00 0.00 C ATOM 96 C LEU A 9 -5.286 3.511 -5.882 1.00 0.00 C ATOM 97 O LEU A 9 -5.646 4.115 -4.873 1.00 0.00 O ATOM 98 CB LEU A 9 -2.918 3.709 -6.839 1.00 0.00 C ATOM 99 CG LEU A 9 -2.146 4.825 -6.132 1.00 0.00 C ATOM 100 CD1 LEU A 9 -1.583 5.827 -7.142 1.00 0.00 C ATOM 101 CD2 LEU A 9 -3.015 5.507 -5.073 1.00 0.00 C ATOM 0 H LEU A 9 -3.396 1.322 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.465 2.930 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.198 3.019 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.483 4.149 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.298 4.378 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.039 6.610 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.907 5.314 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.401 6.273 -7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.442 6.296 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.896 5.938 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.326 4.773 -4.330 1.00 0.00 H new ATOM 113 N SER A 10 -6.041 3.327 -6.956 1.00 0.00 N ATOM 114 CA SER A 10 -7.396 3.848 -7.016 1.00 0.00 C ATOM 115 C SER A 10 -8.286 3.107 -6.017 1.00 0.00 C ATOM 116 O SER A 10 -9.010 3.732 -5.243 1.00 0.00 O ATOM 117 CB SER A 10 -7.970 3.728 -8.429 1.00 0.00 C ATOM 118 OG SER A 10 -8.891 4.774 -8.722 1.00 0.00 O ATOM 0 H SER A 10 -5.740 2.825 -7.791 1.00 0.00 H new ATOM 0 HA SER A 10 -7.368 4.905 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.156 3.748 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.469 2.765 -8.537 1.00 0.00 H new ATOM 0 HG SER A 10 -9.675 4.693 -8.139 1.00 0.00 H new ATOM 124 N LEU A 11 -8.203 1.786 -6.065 1.00 0.00 N ATOM 125 CA LEU A 11 -8.993 0.953 -5.174 1.00 0.00 C ATOM 126 C LEU A 11 -8.715 1.359 -3.725 1.00 0.00 C ATOM 127 O LEU A 11 -9.640 1.499 -2.927 1.00 0.00 O ATOM 128 CB LEU A 11 -8.737 -0.528 -5.457 1.00 0.00 C ATOM 129 CG LEU A 11 -9.572 -1.150 -6.578 1.00 0.00 C ATOM 130 CD1 LEU A 11 -9.335 -2.659 -6.667 1.00 0.00 C ATOM 131 CD2 LEU A 11 -11.055 -0.813 -6.409 1.00 0.00 C ATOM 0 H LEU A 11 -7.601 1.271 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.057 1.108 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.683 -0.654 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.919 -1.090 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.248 -0.717 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.941 -3.076 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.281 -2.850 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.614 -3.127 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.626 -1.267 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.409 -1.200 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.187 0.269 -6.434 1.00 0.00 H new ATOM 143 N THR A 12 -7.435 1.536 -3.429 1.00 0.00 N ATOM 144 CA THR A 12 -7.024 1.922 -2.090 1.00 0.00 C ATOM 145 C THR A 12 -7.597 3.295 -1.731 1.00 0.00 C ATOM 146 O THR A 12 -8.264 3.445 -0.708 1.00 0.00 O ATOM 147 CB THR A 12 -5.496 1.868 -2.031 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.078 2.534 -3.219 1.00 0.00 O ATOM 149 CG2 THR A 12 -4.954 0.446 -2.191 1.00 0.00 C ATOM 0 H THR A 12 -6.670 1.419 -4.093 1.00 0.00 H new ATOM 0 HA THR A 12 -7.418 1.234 -1.342 1.00 0.00 H new ATOM 0 HB THR A 12 -5.155 2.282 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.866 1.871 -3.909 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.865 0.464 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.343 -0.184 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.267 0.044 -3.154 1.00 0.00 H new ATOM 157 N LEU A 13 -7.316 4.261 -2.592 1.00 0.00 N ATOM 158 CA LEU A 13 -7.796 5.616 -2.379 1.00 0.00 C ATOM 159 C LEU A 13 -9.321 5.599 -2.256 1.00 0.00 C ATOM 160 O LEU A 13 -9.880 6.204 -1.342 1.00 0.00 O ATOM 161 CB LEU A 13 -7.278 6.547 -3.477 1.00 0.00 C ATOM 162 CG LEU A 13 -6.047 7.384 -3.123 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.315 8.262 -1.899 1.00 0.00 C ATOM 164 CD2 LEU A 13 -4.817 6.495 -2.932 1.00 0.00 C ATOM 0 H LEU A 13 -6.762 4.133 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.405 6.016 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.043 5.945 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.083 7.224 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.836 8.052 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.424 8.847 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.146 8.935 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.565 7.631 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.956 7.114 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.002 5.787 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.615 5.950 -3.854 1.00 0.00 H new ATOM 176 N ASP A 14 -9.950 4.900 -3.189 1.00 0.00 N ATOM 177 CA ASP A 14 -11.400 4.797 -3.196 1.00 0.00 C ATOM 178 C ASP A 14 -11.880 4.329 -1.820 1.00 0.00 C ATOM 179 O ASP A 14 -13.026 4.571 -1.444 1.00 0.00 O ATOM 180 CB ASP A 14 -11.874 3.778 -4.234 1.00 0.00 C ATOM 181 CG ASP A 14 -11.959 4.307 -5.667 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.820 5.183 -5.898 1.00 0.00 O ATOM 183 OD2 ASP A 14 -11.161 3.824 -6.498 1.00 0.00 O ATOM 0 H ASP A 14 -9.483 4.400 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.807 5.778 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.197 2.924 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.857 3.412 -3.939 1.00 0.00 H new ATOM 188 N HIS A 15 -10.980 3.667 -1.108 1.00 0.00 N ATOM 189 CA HIS A 15 -11.297 3.163 0.217 1.00 0.00 C ATOM 190 C HIS A 15 -10.299 3.724 1.232 1.00 0.00 C ATOM 191 O HIS A 15 -9.817 2.998 2.100 1.00 0.00 O ATOM 192 CB HIS A 15 -11.349 1.634 0.219 1.00 0.00 C ATOM 193 CG HIS A 15 -12.683 1.064 -0.199 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.877 1.439 0.392 1.00 0.00 N ATOM 195 CD2 HIS A 15 -12.999 0.144 -1.155 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.860 0.768 -0.189 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.314 -0.035 -1.147 1.00 0.00 N ATOM 0 H HIS A 15 -10.031 3.468 -1.424 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.290 3.502 0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.577 1.254 -0.450 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.109 1.274 1.219 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.298 -0.354 -1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.910 0.843 0.053 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.831 -0.669 -1.757 1.00 0.00 H new ATOM 205 N TRP A 16 -10.020 5.012 1.090 1.00 0.00 N ATOM 206 CA TRP A 16 -9.088 5.678 1.984 1.00 0.00 C ATOM 207 C TRP A 16 -9.556 5.438 3.420 1.00 0.00 C ATOM 208 O TRP A 16 -8.739 5.257 4.321 1.00 0.00 O ATOM 209 CB TRP A 16 -8.962 7.163 1.636 1.00 0.00 C ATOM 210 CG TRP A 16 -7.974 7.927 2.519 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.195 9.039 3.234 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.591 7.588 2.754 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.060 9.440 3.909 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.054 8.530 3.608 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.819 6.522 2.261 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.724 8.500 4.044 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.492 6.506 2.706 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.936 7.446 3.566 1.00 0.00 C ATOM 0 H TRP A 16 -10.423 5.611 0.370 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.085 5.266 1.872 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.651 7.257 0.595 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.944 7.630 1.719 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.142 9.556 3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.975 10.255 4.517 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.218 5.774 1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.327 9.249 4.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.855 5.707 2.357 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.901 7.364 3.864 1.00 0.00 H new ATOM 229 N SER A 17 -10.871 5.443 3.589 1.00 0.00 N ATOM 230 CA SER A 17 -11.457 5.228 4.900 1.00 0.00 C ATOM 231 C SER A 17 -10.925 3.927 5.505 1.00 0.00 C ATOM 232 O SER A 17 -10.614 3.873 6.694 1.00 0.00 O ATOM 233 CB SER A 17 -12.985 5.190 4.821 1.00 0.00 C ATOM 234 OG SER A 17 -13.541 6.484 4.608 1.00 0.00 O ATOM 0 H SER A 17 -11.546 5.593 2.839 1.00 0.00 H new ATOM 0 HA SER A 17 -11.173 6.062 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.290 4.527 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.385 4.771 5.744 1.00 0.00 H new ATOM 0 HG SER A 17 -14.518 6.417 4.562 1.00 0.00 H new ATOM 240 N GLU A 18 -10.836 2.911 4.659 1.00 0.00 N ATOM 241 CA GLU A 18 -10.347 1.615 5.095 1.00 0.00 C ATOM 242 C GLU A 18 -8.851 1.690 5.406 1.00 0.00 C ATOM 243 O GLU A 18 -8.383 1.088 6.372 1.00 0.00 O ATOM 244 CB GLU A 18 -10.635 0.539 4.046 1.00 0.00 C ATOM 245 CG GLU A 18 -9.765 -0.698 4.276 1.00 0.00 C ATOM 246 CD GLU A 18 -10.104 -1.367 5.610 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.312 -1.425 5.925 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.147 -1.804 6.285 1.00 0.00 O ATOM 0 H GLU A 18 -11.095 2.960 3.674 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.875 1.337 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.688 0.260 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.449 0.939 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.913 -1.407 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.713 -0.414 4.265 1.00 0.00 H new ATOM 255 N ILE A 19 -8.141 2.433 4.570 1.00 0.00 N ATOM 256 CA ILE A 19 -6.707 2.594 4.744 1.00 0.00 C ATOM 257 C ILE A 19 -6.440 3.390 6.023 1.00 0.00 C ATOM 258 O ILE A 19 -5.467 3.129 6.729 1.00 0.00 O ATOM 259 CB ILE A 19 -6.082 3.212 3.492 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.574 2.507 2.227 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.555 3.218 3.588 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.040 1.075 2.155 1.00 0.00 C ATOM 0 H ILE A 19 -8.532 2.930 3.770 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.226 1.624 4.866 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.405 4.251 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.664 2.494 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.252 3.064 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.135 3.662 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.247 3.801 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.193 2.195 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.405 0.596 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.950 1.093 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.384 0.514 3.024 1.00 0.00 H new ATOM 274 N ARG A 20 -7.321 4.345 6.283 1.00 0.00 N ATOM 275 CA ARG A 20 -7.192 5.181 7.464 1.00 0.00 C ATOM 276 C ARG A 20 -7.521 4.375 8.723 1.00 0.00 C ATOM 277 O ARG A 20 -7.049 4.697 9.812 1.00 0.00 O ATOM 278 CB ARG A 20 -8.121 6.394 7.385 1.00 0.00 C ATOM 279 CG ARG A 20 -7.637 7.387 6.326 1.00 0.00 C ATOM 280 CD ARG A 20 -8.049 8.816 6.686 1.00 0.00 C ATOM 281 NE ARG A 20 -9.373 9.123 6.102 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.540 8.869 6.711 1.00 0.00 C ATOM 283 NH1 ARG A 20 -10.553 8.303 7.925 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.694 9.182 6.105 1.00 0.00 N ATOM 0 H ARG A 20 -8.127 4.558 5.696 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.161 5.531 7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.133 6.067 7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.166 6.886 8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.552 7.329 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.052 7.119 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.085 8.931 7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.306 9.522 6.315 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.400 9.555 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.675 8.065 8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.441 8.110 8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.684 9.613 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.582 8.989 6.568 1.00 0.00 H new ATOM 298 N SER A 21 -8.330 3.343 8.531 1.00 0.00 N ATOM 299 CA SER A 21 -8.729 2.490 9.637 1.00 0.00 C ATOM 300 C SER A 21 -7.590 1.533 9.996 1.00 0.00 C ATOM 301 O SER A 21 -7.290 1.333 11.172 1.00 0.00 O ATOM 302 CB SER A 21 -9.996 1.703 9.297 1.00 0.00 C ATOM 303 OG SER A 21 -11.042 1.945 10.233 1.00 0.00 O ATOM 0 H SER A 21 -8.720 3.079 7.626 1.00 0.00 H new ATOM 0 HA SER A 21 -8.948 3.124 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.334 1.975 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.767 0.638 9.277 1.00 0.00 H new ATOM 0 HG SER A 21 -11.834 1.426 9.980 1.00 0.00 H new ATOM 309 N ARG A 22 -6.987 0.967 8.961 1.00 0.00 N ATOM 310 CA ARG A 22 -5.888 0.036 9.153 1.00 0.00 C ATOM 311 C ARG A 22 -4.741 0.716 9.903 1.00 0.00 C ATOM 312 O ARG A 22 -4.015 0.067 10.655 1.00 0.00 O ATOM 313 CB ARG A 22 -5.371 -0.490 7.813 1.00 0.00 C ATOM 314 CG ARG A 22 -6.521 -1.006 6.946 1.00 0.00 C ATOM 315 CD ARG A 22 -6.337 -2.489 6.616 1.00 0.00 C ATOM 316 NE ARG A 22 -7.055 -2.822 5.366 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.111 -4.052 4.837 1.00 0.00 C ATOM 318 NH1 ARG A 22 -6.491 -5.072 5.446 1.00 0.00 N ATOM 319 NH2 ARG A 22 -7.787 -4.262 3.699 1.00 0.00 N ATOM 0 H ARG A 22 -7.239 1.135 7.987 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.263 -0.803 9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.842 0.304 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.653 -1.292 7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.467 -0.860 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.573 -0.428 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.277 -2.717 6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.713 -3.102 7.435 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.537 -2.068 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.977 -4.912 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.534 -6.008 5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.259 -3.486 3.235 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.830 -5.198 3.296 1.00 0.00 H new ATOM 333 N ALA A 23 -4.612 2.014 9.672 1.00 0.00 N ATOM 334 CA ALA A 23 -3.566 2.790 10.316 1.00 0.00 C ATOM 335 C ALA A 23 -3.942 3.029 11.780 1.00 0.00 C ATOM 336 O ALA A 23 -3.075 3.041 12.653 1.00 0.00 O ATOM 337 CB ALA A 23 -3.352 4.096 9.549 1.00 0.00 C ATOM 0 H ALA A 23 -5.215 2.548 9.047 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.622 2.246 10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.567 4.678 10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.058 3.872 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.278 4.671 9.543 1.00 0.00 H new ATOM 343 N HIS A 24 -5.235 3.213 12.003 1.00 0.00 N ATOM 344 CA HIS A 24 -5.736 3.450 13.346 1.00 0.00 C ATOM 345 C HIS A 24 -5.487 2.215 14.213 1.00 0.00 C ATOM 346 O HIS A 24 -5.012 2.329 15.342 1.00 0.00 O ATOM 347 CB HIS A 24 -7.209 3.863 13.311 1.00 0.00 C ATOM 348 CG HIS A 24 -7.593 4.858 14.380 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.902 5.056 14.784 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.828 5.707 15.124 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.912 5.985 15.728 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.626 6.388 15.937 1.00 0.00 N ATOM 0 H HIS A 24 -5.951 3.203 11.276 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.196 4.282 13.798 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.433 4.291 12.334 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.828 2.972 13.419 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.755 5.808 15.062 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.785 6.358 16.242 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.327 7.096 16.608 1.00 0.00 H new ATOM 360 N ASN A 25 -5.818 1.061 13.652 1.00 0.00 N ATOM 361 CA ASN A 25 -5.636 -0.195 14.360 1.00 0.00 C ATOM 362 C ASN A 25 -4.143 -0.513 14.450 1.00 0.00 C ATOM 363 O ASN A 25 -3.698 -1.161 15.396 1.00 0.00 O ATOM 364 CB ASN A 25 -6.322 -1.347 13.622 1.00 0.00 C ATOM 365 CG ASN A 25 -7.225 -2.142 14.566 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.925 -2.343 15.732 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.345 -2.582 14.000 1.00 0.00 N ATOM 0 H ASN A 25 -6.211 0.969 12.715 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.075 -0.090 15.352 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.912 -0.953 12.794 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.569 -2.007 13.191 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.014 -3.123 14.547 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.535 -2.378 13.019 1.00 0.00 H new ATOM 374 N LEU A 26 -3.409 -0.042 13.452 1.00 0.00 N ATOM 375 CA LEU A 26 -1.974 -0.269 13.407 1.00 0.00 C ATOM 376 C LEU A 26 -1.265 0.816 14.221 1.00 0.00 C ATOM 377 O LEU A 26 -0.041 0.810 14.336 1.00 0.00 O ATOM 378 CB LEU A 26 -1.492 -0.363 11.958 1.00 0.00 C ATOM 379 CG LEU A 26 -1.900 -1.626 11.196 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.584 -1.494 9.705 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.254 -2.870 11.811 1.00 0.00 C ATOM 0 H LEU A 26 -3.781 0.495 12.669 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.725 -1.226 13.865 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.868 0.503 11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.404 -0.295 11.953 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.980 -1.745 11.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.884 -2.405 9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.129 -0.646 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.514 -1.337 9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.560 -3.754 11.251 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.169 -2.774 11.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.572 -2.970 12.849 1.00 0.00 H new ATOM 393 N SER A 27 -2.066 1.721 14.765 1.00 0.00 N ATOM 394 CA SER A 27 -1.530 2.809 15.565 1.00 0.00 C ATOM 395 C SER A 27 -0.510 3.606 14.749 1.00 0.00 C ATOM 396 O SER A 27 0.632 3.775 15.172 1.00 0.00 O ATOM 397 CB SER A 27 -0.887 2.283 16.850 1.00 0.00 C ATOM 398 OG SER A 27 -0.619 3.329 17.780 1.00 0.00 O ATOM 0 H SER A 27 -3.081 1.723 14.667 1.00 0.00 H new ATOM 0 HA SER A 27 -2.354 3.465 15.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.547 1.548 17.311 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.042 1.768 16.606 1.00 0.00 H new ATOM 0 HG SER A 27 -0.015 3.984 17.371 1.00 0.00 H new ATOM 404 N VAL A 28 -0.960 4.074 13.594 1.00 0.00 N ATOM 405 CA VAL A 28 -0.101 4.848 12.715 1.00 0.00 C ATOM 406 C VAL A 28 -0.936 5.913 12.001 1.00 0.00 C ATOM 407 O VAL A 28 -2.114 5.697 11.720 1.00 0.00 O ATOM 408 CB VAL A 28 0.635 3.918 11.749 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.771 3.178 12.458 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.334 2.933 11.091 1.00 0.00 C ATOM 0 H VAL A 28 -1.908 3.932 13.247 1.00 0.00 H new ATOM 0 HA VAL A 28 0.665 5.368 13.291 1.00 0.00 H new ATOM 0 HB VAL A 28 1.075 4.532 10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.278 2.524 11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.483 3.901 12.857 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.363 2.582 13.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.215 2.283 10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.816 2.328 11.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.092 3.485 10.535 1.00 0.00 H new ATOM 420 N GLU A 29 -0.293 7.038 11.726 1.00 0.00 N ATOM 421 CA GLU A 29 -0.962 8.136 11.050 1.00 0.00 C ATOM 422 C GLU A 29 -0.409 8.303 9.633 1.00 0.00 C ATOM 423 O GLU A 29 0.803 8.259 9.427 1.00 0.00 O ATOM 424 CB GLU A 29 -0.828 9.435 11.847 1.00 0.00 C ATOM 425 CG GLU A 29 -1.715 10.534 11.259 1.00 0.00 C ATOM 426 CD GLU A 29 -0.963 11.865 11.186 1.00 0.00 C ATOM 427 OE1 GLU A 29 0.259 11.813 10.929 1.00 0.00 O ATOM 428 OE2 GLU A 29 -1.627 12.904 11.390 1.00 0.00 O ATOM 0 H GLU A 29 0.684 7.213 11.959 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.024 7.900 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.104 9.258 12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.212 9.762 11.844 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.046 10.244 10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.610 10.651 11.871 1.00 0.00 H new ATOM 435 N ILE A 30 -1.324 8.491 8.693 1.00 0.00 N ATOM 436 CA ILE A 30 -0.943 8.665 7.302 1.00 0.00 C ATOM 437 C ILE A 30 -1.849 9.716 6.657 1.00 0.00 C ATOM 438 O ILE A 30 -2.909 10.039 7.191 1.00 0.00 O ATOM 439 CB ILE A 30 -0.947 7.319 6.574 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.363 6.747 6.486 1.00 0.00 C ATOM 441 CG2 ILE A 30 0.028 6.339 7.229 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.347 5.332 5.903 1.00 0.00 C ATOM 0 H ILE A 30 -2.328 8.527 8.868 1.00 0.00 H new ATOM 0 HA ILE A 30 0.079 9.038 7.230 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.602 7.482 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.815 6.731 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.982 7.393 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.006 5.390 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.036 6.752 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.262 6.176 8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.366 4.948 5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.917 5.356 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.747 4.683 6.540 1.00 0.00 H new ATOM 454 N LYS A 31 -1.398 10.219 5.517 1.00 0.00 N ATOM 455 CA LYS A 31 -2.155 11.227 4.794 1.00 0.00 C ATOM 456 C LYS A 31 -2.616 10.648 3.455 1.00 0.00 C ATOM 457 O LYS A 31 -2.126 9.606 3.023 1.00 0.00 O ATOM 458 CB LYS A 31 -1.340 12.515 4.659 1.00 0.00 C ATOM 459 CG LYS A 31 -1.603 13.456 5.835 1.00 0.00 C ATOM 460 CD LYS A 31 -2.993 14.088 5.732 1.00 0.00 C ATOM 461 CE LYS A 31 -3.919 13.558 6.828 1.00 0.00 C ATOM 462 NZ LYS A 31 -4.470 14.676 7.626 1.00 0.00 N ATOM 0 H LYS A 31 -0.519 9.948 5.077 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.052 11.502 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.278 12.274 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.595 13.015 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.519 12.905 6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.845 14.239 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.910 15.172 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.422 13.874 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.733 12.987 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.370 12.876 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.096 14.299 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.691 15.204 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.011 15.312 7.006 1.00 0.00 H new ATOM 476 N LYS A 32 -3.554 11.350 2.835 1.00 0.00 N ATOM 477 CA LYS A 32 -4.087 10.918 1.554 1.00 0.00 C ATOM 478 C LYS A 32 -3.312 11.603 0.427 1.00 0.00 C ATOM 479 O LYS A 32 -3.433 11.222 -0.736 1.00 0.00 O ATOM 480 CB LYS A 32 -5.597 11.156 1.494 1.00 0.00 C ATOM 481 CG LYS A 32 -6.060 11.382 0.053 1.00 0.00 C ATOM 482 CD LYS A 32 -7.558 11.692 0.001 1.00 0.00 C ATOM 483 CE LYS A 32 -8.260 10.824 -1.046 1.00 0.00 C ATOM 484 NZ LYS A 32 -7.595 10.959 -2.361 1.00 0.00 N ATOM 0 H LYS A 32 -3.958 12.214 3.196 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.951 9.844 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.121 10.299 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.857 12.022 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.499 12.206 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.847 10.495 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.003 11.519 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.707 12.746 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.247 9.781 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.306 11.118 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.114 10.404 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.585 11.960 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.618 10.608 -2.294 1.00 0.00 H new ATOM 498 N GLY A 33 -2.532 12.604 0.811 1.00 0.00 N ATOM 499 CA GLY A 33 -1.737 13.346 -0.153 1.00 0.00 C ATOM 500 C GLY A 33 -0.443 12.600 -0.486 1.00 0.00 C ATOM 501 O GLY A 33 -0.115 12.412 -1.656 1.00 0.00 O ATOM 0 H GLY A 33 -2.434 12.918 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.316 13.502 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.500 14.332 0.247 1.00 0.00 H new ATOM 505 N PRO A 34 0.275 12.185 0.592 1.00 0.00 N ATOM 506 CA PRO A 34 1.525 11.464 0.425 1.00 0.00 C ATOM 507 C PRO A 34 1.272 10.018 -0.006 1.00 0.00 C ATOM 508 O PRO A 34 2.003 9.476 -0.833 1.00 0.00 O ATOM 509 CB PRO A 34 2.222 11.568 1.772 1.00 0.00 C ATOM 510 CG PRO A 34 1.140 11.939 2.773 1.00 0.00 C ATOM 511 CD PRO A 34 -0.083 12.390 1.992 1.00 0.00 C ATOM 0 HA PRO A 34 2.148 11.882 -0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.696 10.624 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.008 12.323 1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.896 11.085 3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.487 12.735 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.964 11.808 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.317 13.436 2.192 1.00 0.00 H new ATOM 519 N TRP A 35 0.233 9.435 0.574 1.00 0.00 N ATOM 520 CA TRP A 35 -0.126 8.062 0.260 1.00 0.00 C ATOM 521 C TRP A 35 -0.169 7.921 -1.263 1.00 0.00 C ATOM 522 O TRP A 35 0.267 6.909 -1.808 1.00 0.00 O ATOM 523 CB TRP A 35 -1.444 7.673 0.934 1.00 0.00 C ATOM 524 CG TRP A 35 -2.028 6.348 0.439 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.746 6.125 -0.670 1.00 0.00 C ATOM 526 CD2 TRP A 35 -1.913 5.063 1.087 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.101 4.797 -0.785 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.578 4.130 0.317 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.268 4.701 2.282 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.663 2.775 0.659 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.362 3.343 2.610 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.028 2.391 1.846 1.00 0.00 C ATOM 0 H TRP A 35 -0.372 9.888 1.259 1.00 0.00 H new ATOM 0 HA TRP A 35 0.618 7.369 0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.285 7.609 2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.174 8.465 0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.013 6.889 -1.385 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.647 4.381 -1.540 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.741 5.414 2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.190 2.064 0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.884 3.012 3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.055 1.360 2.167 1.00 0.00 H new ATOM 543 N ARG A 36 -0.699 8.952 -1.906 1.00 0.00 N ATOM 544 CA ARG A 36 -0.804 8.955 -3.355 1.00 0.00 C ATOM 545 C ARG A 36 0.571 9.183 -3.987 1.00 0.00 C ATOM 546 O ARG A 36 0.973 8.449 -4.888 1.00 0.00 O ATOM 547 CB ARG A 36 -1.765 10.045 -3.835 1.00 0.00 C ATOM 548 CG ARG A 36 -2.464 9.628 -5.130 1.00 0.00 C ATOM 549 CD ARG A 36 -3.979 9.535 -4.930 1.00 0.00 C ATOM 550 NE ARG A 36 -4.645 10.696 -5.560 1.00 0.00 N ATOM 551 CZ ARG A 36 -4.677 10.919 -6.881 1.00 0.00 C ATOM 552 NH1 ARG A 36 -4.081 10.061 -7.720 1.00 0.00 N ATOM 553 NH2 ARG A 36 -5.305 12.000 -7.363 1.00 0.00 N ATOM 0 H ARG A 36 -1.060 9.790 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.192 7.983 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.509 10.244 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.217 10.973 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.241 10.349 -5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.078 8.664 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.355 8.609 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.212 9.505 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.109 11.369 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.603 9.238 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.105 10.231 -8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.759 12.653 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.329 12.170 -8.368 1.00 0.00 H new ATOM 567 N THR A 37 1.254 10.204 -3.489 1.00 0.00 N ATOM 568 CA THR A 37 2.575 10.537 -3.993 1.00 0.00 C ATOM 569 C THR A 37 3.505 9.326 -3.895 1.00 0.00 C ATOM 570 O THR A 37 4.145 8.950 -4.875 1.00 0.00 O ATOM 571 CB THR A 37 3.081 11.757 -3.220 1.00 0.00 C ATOM 572 OG1 THR A 37 2.373 12.851 -3.795 1.00 0.00 O ATOM 573 CG2 THR A 37 4.550 12.068 -3.515 1.00 0.00 C ATOM 0 H THR A 37 0.917 10.811 -2.742 1.00 0.00 H new ATOM 0 HA THR A 37 2.541 10.795 -5.051 1.00 0.00 H new ATOM 0 HB THR A 37 2.953 11.588 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.640 13.683 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.859 12.942 -2.942 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.166 11.214 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.673 12.270 -4.579 1.00 0.00 H new ATOM 581 N PHE A 38 3.549 8.750 -2.702 1.00 0.00 N ATOM 582 CA PHE A 38 4.390 7.589 -2.463 1.00 0.00 C ATOM 583 C PHE A 38 4.051 6.457 -3.435 1.00 0.00 C ATOM 584 O PHE A 38 4.927 5.688 -3.828 1.00 0.00 O ATOM 585 CB PHE A 38 4.110 7.121 -1.034 1.00 0.00 C ATOM 586 CG PHE A 38 4.694 8.033 0.046 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.933 8.570 -0.115 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.974 8.308 1.167 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.476 9.416 0.888 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.517 9.154 2.169 1.00 0.00 C ATOM 591 CZ PHE A 38 5.756 9.691 2.009 1.00 0.00 C ATOM 0 H PHE A 38 3.016 9.065 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 38 5.438 7.852 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.032 7.050 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.515 6.117 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.504 8.353 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.989 7.883 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.461 9.841 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.946 9.371 3.059 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.168 10.335 2.771 1.00 0.00 H new ATOM 601 N CYS A 39 2.777 6.390 -3.793 1.00 0.00 N ATOM 602 CA CYS A 39 2.311 5.364 -4.711 1.00 0.00 C ATOM 603 C CYS A 39 2.220 5.977 -6.110 1.00 0.00 C ATOM 604 O CYS A 39 1.646 5.378 -7.018 1.00 0.00 O ATOM 605 CB CYS A 39 0.976 4.767 -4.262 1.00 0.00 C ATOM 606 SG CYS A 39 0.801 3.066 -4.912 1.00 0.00 S ATOM 0 H CYS A 39 2.053 7.029 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 39 3.019 4.535 -4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.921 4.757 -3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.153 5.387 -4.617 1.00 0.00 H new ATOM 0 HG CYS A 39 0.040 2.374 -4.117 1.00 0.00 H new ATOM 612 N ALA A 40 2.795 7.163 -6.240 1.00 0.00 N ATOM 613 CA ALA A 40 2.787 7.864 -7.513 1.00 0.00 C ATOM 614 C ALA A 40 4.085 7.564 -8.265 1.00 0.00 C ATOM 615 O ALA A 40 4.066 6.923 -9.314 1.00 0.00 O ATOM 616 CB ALA A 40 2.585 9.361 -7.271 1.00 0.00 C ATOM 0 H ALA A 40 3.270 7.657 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 40 1.960 7.520 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.579 9.886 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.635 9.522 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.397 9.742 -6.652 1.00 0.00 H new ATOM 622 N SER A 41 5.183 8.043 -7.698 1.00 0.00 N ATOM 623 CA SER A 41 6.489 7.834 -8.301 1.00 0.00 C ATOM 624 C SER A 41 7.554 7.703 -7.210 1.00 0.00 C ATOM 625 O SER A 41 8.664 8.212 -7.357 1.00 0.00 O ATOM 626 CB SER A 41 6.843 8.976 -9.255 1.00 0.00 C ATOM 627 OG SER A 41 7.049 8.514 -10.587 1.00 0.00 O ATOM 0 H SER A 41 5.195 8.575 -6.828 1.00 0.00 H new ATOM 0 HA SER A 41 6.456 6.911 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.043 9.716 -9.248 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.744 9.477 -8.902 1.00 0.00 H new ATOM 0 HG SER A 41 7.271 9.273 -11.166 1.00 0.00 H new ATOM 633 N GLU A 42 7.178 7.018 -6.140 1.00 0.00 N ATOM 634 CA GLU A 42 8.088 6.814 -5.025 1.00 0.00 C ATOM 635 C GLU A 42 8.405 5.325 -4.865 1.00 0.00 C ATOM 636 O GLU A 42 9.571 4.942 -4.777 1.00 0.00 O ATOM 637 CB GLU A 42 7.510 7.393 -3.733 1.00 0.00 C ATOM 638 CG GLU A 42 8.620 7.709 -2.729 1.00 0.00 C ATOM 639 CD GLU A 42 9.169 9.121 -2.944 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.334 10.033 -3.125 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.412 9.256 -2.924 1.00 0.00 O ATOM 0 H GLU A 42 6.256 6.597 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 42 9.017 7.343 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.948 8.300 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.809 6.683 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.234 7.616 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.426 6.982 -2.832 1.00 0.00 H new ATOM 648 N TRP A 43 7.348 4.528 -4.832 1.00 0.00 N ATOM 649 CA TRP A 43 7.499 3.090 -4.684 1.00 0.00 C ATOM 650 C TRP A 43 7.927 2.518 -6.037 1.00 0.00 C ATOM 651 O TRP A 43 8.822 1.677 -6.104 1.00 0.00 O ATOM 652 CB TRP A 43 6.215 2.456 -4.146 1.00 0.00 C ATOM 653 CG TRP A 43 5.965 2.720 -2.660 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.864 3.026 -1.714 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.691 2.689 -1.983 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.264 3.193 -0.482 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.901 2.982 -0.651 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.403 2.423 -2.480 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.869 3.037 0.294 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.383 2.481 -1.523 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.578 2.774 -0.179 1.00 0.00 C ATOM 0 H TRP A 43 6.383 4.850 -4.905 1.00 0.00 H new ATOM 0 HA TRP A 43 8.269 2.857 -3.948 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.368 2.834 -4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.257 1.379 -4.311 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.924 3.129 -1.893 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.735 3.428 0.392 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.215 2.192 -3.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.059 3.270 1.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.374 2.284 -1.853 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.737 2.799 0.498 1.00 0.00 H new ATOM 672 N PRO A 44 7.251 3.009 -7.109 1.00 0.00 N ATOM 673 CA PRO A 44 7.552 2.556 -8.456 1.00 0.00 C ATOM 674 C PRO A 44 8.862 3.166 -8.960 1.00 0.00 C ATOM 675 O PRO A 44 9.265 2.926 -10.097 1.00 0.00 O ATOM 676 CB PRO A 44 6.347 2.966 -9.288 1.00 0.00 C ATOM 677 CG PRO A 44 5.630 4.037 -8.482 1.00 0.00 C ATOM 678 CD PRO A 44 6.185 4.006 -7.068 1.00 0.00 C ATOM 0 HA PRO A 44 7.710 1.479 -8.512 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.656 3.350 -10.260 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.693 2.114 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.783 5.019 -8.931 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.556 3.854 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.568 4.983 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.415 3.733 -6.346 1.00 0.00 H new ATOM 686 N THR A 45 9.489 3.942 -8.089 1.00 0.00 N ATOM 687 CA THR A 45 10.745 4.588 -8.431 1.00 0.00 C ATOM 688 C THR A 45 11.886 4.016 -7.588 1.00 0.00 C ATOM 689 O THR A 45 12.924 4.656 -7.424 1.00 0.00 O ATOM 690 CB THR A 45 10.562 6.097 -8.261 1.00 0.00 C ATOM 691 OG1 THR A 45 9.918 6.229 -6.996 1.00 0.00 O ATOM 692 CG2 THR A 45 9.555 6.681 -9.254 1.00 0.00 C ATOM 0 H THR A 45 9.151 4.138 -7.147 1.00 0.00 H new ATOM 0 HA THR A 45 11.020 4.394 -9.468 1.00 0.00 H new ATOM 0 HB THR A 45 11.524 6.595 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.835 7.179 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.463 7.755 -9.090 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.899 6.498 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.584 6.207 -9.109 1.00 0.00 H new ATOM 700 N PHE A 46 11.656 2.816 -7.074 1.00 0.00 N ATOM 701 CA PHE A 46 12.651 2.150 -6.252 1.00 0.00 C ATOM 702 C PHE A 46 13.391 1.074 -7.050 1.00 0.00 C ATOM 703 O PHE A 46 14.405 0.547 -6.597 1.00 0.00 O ATOM 704 CB PHE A 46 11.904 1.486 -5.095 1.00 0.00 C ATOM 705 CG PHE A 46 11.555 2.439 -3.950 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.730 3.779 -4.104 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.070 1.947 -2.779 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.406 4.664 -3.042 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.746 2.833 -1.717 1.00 0.00 C ATOM 710 CZ PHE A 46 10.921 4.172 -1.871 1.00 0.00 C ATOM 0 H PHE A 46 10.794 2.288 -7.212 1.00 0.00 H new ATOM 0 HA PHE A 46 13.386 2.873 -5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.985 1.042 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.513 0.671 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.115 4.170 -5.034 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.931 0.883 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.545 5.728 -3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.360 2.442 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.675 4.845 -1.063 1.00 0.00 H new ATOM 720 N ASP A 47 12.854 0.781 -8.226 1.00 0.00 N ATOM 721 CA ASP A 47 13.450 -0.223 -9.091 1.00 0.00 C ATOM 722 C ASP A 47 13.385 -1.587 -8.403 1.00 0.00 C ATOM 723 O ASP A 47 14.380 -2.056 -7.851 1.00 0.00 O ATOM 724 CB ASP A 47 14.920 0.096 -9.372 1.00 0.00 C ATOM 725 CG ASP A 47 15.181 1.486 -9.955 1.00 0.00 C ATOM 726 OD1 ASP A 47 14.225 2.291 -9.952 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.331 1.713 -10.390 1.00 0.00 O ATOM 0 H ASP A 47 12.013 1.221 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 47 12.896 -0.231 -10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.481 -0.003 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.312 -0.650 -10.063 1.00 0.00 H new ATOM 732 N VAL A 48 12.205 -2.186 -8.458 1.00 0.00 N ATOM 733 CA VAL A 48 11.997 -3.488 -7.846 1.00 0.00 C ATOM 734 C VAL A 48 10.907 -4.239 -8.613 1.00 0.00 C ATOM 735 O VAL A 48 11.185 -5.232 -9.282 1.00 0.00 O ATOM 736 CB VAL A 48 11.676 -3.323 -6.359 1.00 0.00 C ATOM 737 CG1 VAL A 48 12.953 -3.105 -5.544 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.682 -2.181 -6.137 1.00 0.00 C ATOM 0 H VAL A 48 11.383 -1.794 -8.917 1.00 0.00 H new ATOM 0 HA VAL A 48 12.906 -4.086 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 48 11.210 -4.245 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.697 -2.991 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.613 -3.964 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.459 -2.205 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.470 -2.085 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.109 -1.249 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.757 -2.394 -6.673 1.00 0.00 H new ATOM 748 N GLY A 49 9.687 -3.734 -8.490 1.00 0.00 N ATOM 749 CA GLY A 49 8.554 -4.345 -9.163 1.00 0.00 C ATOM 750 C GLY A 49 7.249 -3.636 -8.793 1.00 0.00 C ATOM 751 O GLY A 49 6.197 -4.267 -8.711 1.00 0.00 O ATOM 0 H GLY A 49 9.460 -2.909 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.702 -4.303 -10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.490 -5.398 -8.891 1.00 0.00 H new ATOM 755 N TRP A 50 7.362 -2.333 -8.580 1.00 0.00 N ATOM 756 CA TRP A 50 6.204 -1.531 -8.221 1.00 0.00 C ATOM 757 C TRP A 50 5.811 -0.695 -9.441 1.00 0.00 C ATOM 758 O TRP A 50 6.578 0.156 -9.888 1.00 0.00 O ATOM 759 CB TRP A 50 6.489 -0.681 -6.981 1.00 0.00 C ATOM 760 CG TRP A 50 5.246 -0.026 -6.376 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.730 1.179 -6.656 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.378 -0.592 -5.372 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.598 1.430 -5.908 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.376 0.318 -5.103 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.436 -1.833 -4.714 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.359 0.085 -4.171 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.412 -2.051 -3.785 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.397 -1.145 -3.502 1.00 0.00 C ATOM 0 H TRP A 50 8.237 -1.813 -8.649 1.00 0.00 H new ATOM 0 HA TRP A 50 5.362 -2.169 -7.950 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.961 -1.308 -6.225 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.206 0.097 -7.243 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.148 1.867 -7.376 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.029 2.276 -5.940 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.210 -2.561 -4.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.586 0.814 -3.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.411 -2.989 -3.250 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.641 -1.388 -2.770 1.00 0.00 H new ATOM 779 N PRO A 51 4.585 -0.975 -9.958 1.00 0.00 N ATOM 780 CA PRO A 51 4.081 -0.258 -11.118 1.00 0.00 C ATOM 781 C PRO A 51 3.636 1.156 -10.738 1.00 0.00 C ATOM 782 O PRO A 51 3.535 1.482 -9.556 1.00 0.00 O ATOM 783 CB PRO A 51 2.943 -1.117 -11.646 1.00 0.00 C ATOM 784 CG PRO A 51 2.550 -2.038 -10.503 1.00 0.00 C ATOM 785 CD PRO A 51 3.649 -1.976 -9.455 1.00 0.00 C ATOM 0 HA PRO A 51 4.841 -0.111 -11.885 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.100 -0.500 -11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.258 -1.690 -12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.596 -1.729 -10.075 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.422 -3.059 -10.862 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.251 -1.692 -8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.134 -2.945 -9.332 1.00 0.00 H new ATOM 793 N PRO A 52 3.376 1.978 -11.789 1.00 0.00 N ATOM 794 CA PRO A 52 2.944 3.349 -11.578 1.00 0.00 C ATOM 795 C PRO A 52 1.482 3.401 -11.130 1.00 0.00 C ATOM 796 O PRO A 52 0.941 4.479 -10.890 1.00 0.00 O ATOM 797 CB PRO A 52 3.184 4.046 -12.907 1.00 0.00 C ATOM 798 CG PRO A 52 3.301 2.940 -13.943 1.00 0.00 C ATOM 799 CD PRO A 52 3.484 1.625 -13.202 1.00 0.00 C ATOM 0 HA PRO A 52 3.494 3.845 -10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.363 4.721 -13.148 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.092 4.648 -12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.408 2.905 -14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.146 3.126 -14.606 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.722 0.900 -13.488 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.452 1.176 -13.425 1.00 0.00 H new ATOM 807 N GLU A 53 0.884 2.223 -11.032 1.00 0.00 N ATOM 808 CA GLU A 53 -0.504 2.120 -10.617 1.00 0.00 C ATOM 809 C GLU A 53 -0.609 1.355 -9.297 1.00 0.00 C ATOM 810 O GLU A 53 -1.676 1.305 -8.687 1.00 0.00 O ATOM 811 CB GLU A 53 -1.354 1.458 -11.704 1.00 0.00 C ATOM 812 CG GLU A 53 -1.428 2.338 -12.954 1.00 0.00 C ATOM 813 CD GLU A 53 -0.056 2.462 -13.620 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.411 1.432 -14.152 1.00 0.00 O ATOM 815 OE2 GLU A 53 0.494 3.583 -13.581 1.00 0.00 O ATOM 0 H GLU A 53 1.336 1.331 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.891 3.127 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.929 0.488 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.359 1.275 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.142 1.914 -13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.796 3.328 -12.685 1.00 0.00 H new ATOM 822 N GLY A 54 0.513 0.776 -8.895 1.00 0.00 N ATOM 823 CA GLY A 54 0.561 0.015 -7.658 1.00 0.00 C ATOM 824 C GLY A 54 0.231 -1.458 -7.907 1.00 0.00 C ATOM 825 O GLY A 54 -0.251 -1.817 -8.981 1.00 0.00 O ATOM 0 H GLY A 54 1.396 0.819 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.553 0.099 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.146 0.434 -6.942 1.00 0.00 H new ATOM 829 N THR A 55 0.505 -2.271 -6.898 1.00 0.00 N ATOM 830 CA THR A 55 0.244 -3.698 -6.994 1.00 0.00 C ATOM 831 C THR A 55 -0.018 -4.287 -5.607 1.00 0.00 C ATOM 832 O THR A 55 0.524 -3.807 -4.612 1.00 0.00 O ATOM 833 CB THR A 55 1.426 -4.347 -7.716 1.00 0.00 C ATOM 834 OG1 THR A 55 0.827 -5.352 -8.529 1.00 0.00 O ATOM 835 CG2 THR A 55 2.335 -5.129 -6.766 1.00 0.00 C ATOM 0 H THR A 55 0.905 -1.969 -6.010 1.00 0.00 H new ATOM 0 HA THR A 55 -0.658 -3.897 -7.573 1.00 0.00 H new ATOM 0 HB THR A 55 2.008 -3.577 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.523 -5.822 -9.034 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.158 -5.569 -7.330 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.734 -4.455 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.762 -5.920 -6.283 1.00 0.00 H new ATOM 843 N PHE A 56 -0.850 -5.318 -5.585 1.00 0.00 N ATOM 844 CA PHE A 56 -1.191 -5.977 -4.336 1.00 0.00 C ATOM 845 C PHE A 56 -0.407 -7.281 -4.172 1.00 0.00 C ATOM 846 O PHE A 56 -0.989 -8.328 -3.892 1.00 0.00 O ATOM 847 CB PHE A 56 -2.686 -6.298 -4.393 1.00 0.00 C ATOM 848 CG PHE A 56 -3.592 -5.080 -4.203 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.439 -4.282 -3.113 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.550 -4.795 -5.125 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.279 -3.151 -2.937 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.391 -3.665 -4.950 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.238 -2.866 -3.859 1.00 0.00 C ATOM 0 H PHE A 56 -1.298 -5.713 -6.412 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.946 -5.329 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.912 -6.759 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.919 -7.034 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.678 -4.509 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.671 -5.429 -5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.157 -2.517 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.152 -3.439 -5.682 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.878 -2.006 -3.725 1.00 0.00 H new ATOM 863 N ASP A 57 0.900 -7.175 -4.355 1.00 0.00 N ATOM 864 CA ASP A 57 1.770 -8.333 -4.232 1.00 0.00 C ATOM 865 C ASP A 57 2.608 -8.202 -2.958 1.00 0.00 C ATOM 866 O ASP A 57 3.486 -7.346 -2.874 1.00 0.00 O ATOM 867 CB ASP A 57 2.728 -8.431 -5.420 1.00 0.00 C ATOM 868 CG ASP A 57 3.816 -9.499 -5.288 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.684 -10.331 -4.364 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.754 -9.460 -6.113 1.00 0.00 O ATOM 0 H ASP A 57 1.379 -6.305 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 57 1.143 -9.224 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.147 -8.635 -6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.207 -7.462 -5.562 1.00 0.00 H new ATOM 875 N LEU A 58 2.306 -9.065 -1.999 1.00 0.00 N ATOM 876 CA LEU A 58 3.020 -9.057 -0.734 1.00 0.00 C ATOM 877 C LEU A 58 4.519 -9.208 -0.998 1.00 0.00 C ATOM 878 O LEU A 58 5.342 -8.722 -0.224 1.00 0.00 O ATOM 879 CB LEU A 58 2.452 -10.121 0.209 1.00 0.00 C ATOM 880 CG LEU A 58 2.426 -9.755 1.694 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.100 -10.839 2.537 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.046 -8.377 1.931 1.00 0.00 C ATOM 0 H LEU A 58 1.577 -9.774 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 58 2.880 -8.104 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.434 -10.351 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.037 -11.033 0.090 1.00 0.00 H new ATOM 0 HG LEU A 58 1.385 -9.698 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.068 -10.554 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.575 -11.785 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.138 -10.951 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.014 -8.142 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.081 -8.381 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.484 -7.625 1.377 1.00 0.00 H new ATOM 894 N THR A 59 4.829 -9.883 -2.095 1.00 0.00 N ATOM 895 CA THR A 59 6.215 -10.104 -2.472 1.00 0.00 C ATOM 896 C THR A 59 6.907 -8.771 -2.766 1.00 0.00 C ATOM 897 O THR A 59 7.947 -8.465 -2.184 1.00 0.00 O ATOM 898 CB THR A 59 6.235 -11.072 -3.656 1.00 0.00 C ATOM 899 OG1 THR A 59 5.453 -12.178 -3.213 1.00 0.00 O ATOM 900 CG2 THR A 59 7.622 -11.671 -3.900 1.00 0.00 C ATOM 0 H THR A 59 4.144 -10.284 -2.735 1.00 0.00 H new ATOM 0 HA THR A 59 6.779 -10.555 -1.656 1.00 0.00 H new ATOM 0 HB THR A 59 5.901 -10.553 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.524 -12.059 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.580 -12.351 -4.751 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.332 -10.871 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.943 -12.219 -3.014 1.00 0.00 H new ATOM 908 N VAL A 60 6.301 -8.013 -3.668 1.00 0.00 N ATOM 909 CA VAL A 60 6.845 -6.720 -4.046 1.00 0.00 C ATOM 910 C VAL A 60 6.716 -5.753 -2.868 1.00 0.00 C ATOM 911 O VAL A 60 7.650 -5.014 -2.560 1.00 0.00 O ATOM 912 CB VAL A 60 6.157 -6.213 -5.315 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.919 -5.380 -4.971 1.00 0.00 C ATOM 914 CG2 VAL A 60 7.130 -5.415 -6.186 1.00 0.00 C ATOM 0 H VAL A 60 5.438 -8.270 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 60 7.906 -6.806 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 60 5.830 -7.080 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.448 -5.031 -5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.212 -5.993 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.214 -4.522 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.615 -5.067 -7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.502 -4.558 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.967 -6.051 -6.473 1.00 0.00 H new ATOM 924 N ILE A 61 5.549 -5.788 -2.240 1.00 0.00 N ATOM 925 CA ILE A 61 5.285 -4.923 -1.103 1.00 0.00 C ATOM 926 C ILE A 61 6.386 -5.113 -0.057 1.00 0.00 C ATOM 927 O ILE A 61 6.818 -4.151 0.576 1.00 0.00 O ATOM 928 CB ILE A 61 3.875 -5.165 -0.562 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.817 -4.634 -1.531 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.716 -4.574 0.840 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.451 -5.263 -1.251 1.00 0.00 C ATOM 0 H ILE A 61 4.776 -6.402 -2.497 1.00 0.00 H new ATOM 0 HA ILE A 61 5.310 -3.876 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 61 3.723 -6.241 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.747 -3.550 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.117 -4.850 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.704 -4.760 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.434 -5.040 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.897 -3.500 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.718 -4.868 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.518 -6.345 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.143 -5.025 -0.233 1.00 0.00 H new ATOM 943 N PHE A 62 6.808 -6.360 0.092 1.00 0.00 N ATOM 944 CA PHE A 62 7.850 -6.689 1.050 1.00 0.00 C ATOM 945 C PHE A 62 9.194 -6.096 0.622 1.00 0.00 C ATOM 946 O PHE A 62 10.057 -5.839 1.460 1.00 0.00 O ATOM 947 CB PHE A 62 7.965 -8.214 1.080 1.00 0.00 C ATOM 948 CG PHE A 62 7.350 -8.860 2.323 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.170 -8.398 2.817 1.00 0.00 C ATOM 950 CD2 PHE A 62 7.984 -9.896 2.935 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.600 -8.997 3.970 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.413 -10.496 4.089 1.00 0.00 C ATOM 953 CZ PHE A 62 6.233 -10.034 4.582 1.00 0.00 C ATOM 0 H PHE A 62 6.447 -7.155 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 62 7.598 -6.281 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.480 -8.622 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.018 -8.490 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.667 -7.575 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.922 -10.262 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.663 -8.629 4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.916 -11.319 4.575 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.798 -10.490 5.459 1.00 0.00 H new ATOM 963 N GLU A 63 9.329 -5.896 -0.680 1.00 0.00 N ATOM 964 CA GLU A 63 10.553 -5.338 -1.229 1.00 0.00 C ATOM 965 C GLU A 63 10.605 -3.829 -0.985 1.00 0.00 C ATOM 966 O GLU A 63 11.589 -3.315 -0.456 1.00 0.00 O ATOM 967 CB GLU A 63 10.682 -5.657 -2.720 1.00 0.00 C ATOM 968 CG GLU A 63 11.216 -7.075 -2.933 1.00 0.00 C ATOM 969 CD GLU A 63 12.720 -7.058 -3.212 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.075 -6.940 -4.405 1.00 0.00 O ATOM 971 OE2 GLU A 63 13.482 -7.163 -2.226 1.00 0.00 O ATOM 0 H GLU A 63 8.611 -6.110 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 63 11.399 -5.798 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.710 -5.554 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.351 -4.938 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.013 -7.680 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.693 -7.543 -3.767 1.00 0.00 H new ATOM 978 N VAL A 64 9.532 -3.160 -1.383 1.00 0.00 N ATOM 979 CA VAL A 64 9.443 -1.720 -1.214 1.00 0.00 C ATOM 980 C VAL A 64 9.438 -1.385 0.279 1.00 0.00 C ATOM 981 O VAL A 64 10.063 -0.414 0.703 1.00 0.00 O ATOM 982 CB VAL A 64 8.215 -1.182 -1.951 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.758 0.151 -1.355 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.491 -1.046 -3.450 1.00 0.00 C ATOM 0 H VAL A 64 8.717 -3.589 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 64 10.311 -1.230 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 64 7.406 -1.901 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.884 0.511 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.502 0.011 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.563 0.882 -1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.602 -0.662 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.321 -0.357 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.746 -2.022 -3.863 1.00 0.00 H new ATOM 994 N LYS A 65 8.726 -2.208 1.035 1.00 0.00 N ATOM 995 CA LYS A 65 8.632 -2.011 2.471 1.00 0.00 C ATOM 996 C LYS A 65 10.029 -2.108 3.088 1.00 0.00 C ATOM 997 O LYS A 65 10.457 -1.208 3.809 1.00 0.00 O ATOM 998 CB LYS A 65 7.622 -2.985 3.081 1.00 0.00 C ATOM 999 CG LYS A 65 7.694 -2.965 4.609 1.00 0.00 C ATOM 1000 CD LYS A 65 7.030 -4.208 5.205 1.00 0.00 C ATOM 1001 CE LYS A 65 5.789 -3.830 6.017 1.00 0.00 C ATOM 1002 NZ LYS A 65 4.823 -4.952 6.038 1.00 0.00 N ATOM 0 H LYS A 65 8.209 -3.012 0.680 1.00 0.00 H new ATOM 0 HA LYS A 65 8.253 -1.014 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.615 -2.720 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.819 -3.994 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.735 -2.917 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.203 -2.069 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.751 -4.894 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.740 -4.734 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.078 -3.572 7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.320 -2.946 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.878 -4.592 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.791 -5.400 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.120 -5.653 6.747 1.00 0.00 H new ATOM 1016 N ALA A 66 10.701 -3.208 2.782 1.00 0.00 N ATOM 1017 CA ALA A 66 12.041 -3.435 3.297 1.00 0.00 C ATOM 1018 C ALA A 66 12.906 -2.205 3.014 1.00 0.00 C ATOM 1019 O ALA A 66 13.743 -1.829 3.833 1.00 0.00 O ATOM 1020 CB ALA A 66 12.618 -4.708 2.677 1.00 0.00 C ATOM 0 H ALA A 66 10.343 -3.952 2.184 1.00 0.00 H new ATOM 0 HA ALA A 66 12.017 -3.581 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.623 -4.878 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.983 -5.557 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.660 -4.598 1.593 1.00 0.00 H new ATOM 1026 N ILE A 67 12.673 -1.612 1.852 1.00 0.00 N ATOM 1027 CA ILE A 67 13.421 -0.432 1.451 1.00 0.00 C ATOM 1028 C ILE A 67 13.133 0.706 2.432 1.00 0.00 C ATOM 1029 O ILE A 67 14.057 1.301 2.986 1.00 0.00 O ATOM 1030 CB ILE A 67 13.122 -0.078 -0.007 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.758 -1.093 -0.959 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.555 1.355 -0.323 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.039 -1.103 -2.310 1.00 0.00 C ATOM 0 H ILE A 67 11.977 -1.926 1.176 1.00 0.00 H new ATOM 0 HA ILE A 67 14.493 -0.627 1.494 1.00 0.00 H new ATOM 0 HB ILE A 67 12.044 -0.128 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.811 -0.850 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.719 -2.088 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.331 1.581 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.016 2.049 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.627 1.458 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.511 -1.833 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.992 -1.370 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.101 -0.113 -2.762 1.00 0.00 H new ATOM 1045 N VAL A 68 11.849 0.976 2.616 1.00 0.00 N ATOM 1046 CA VAL A 68 11.429 2.033 3.520 1.00 0.00 C ATOM 1047 C VAL A 68 11.765 1.632 4.958 1.00 0.00 C ATOM 1048 O VAL A 68 11.964 2.491 5.815 1.00 0.00 O ATOM 1049 CB VAL A 68 9.943 2.335 3.316 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.551 2.192 1.843 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.074 1.443 4.204 1.00 0.00 C ATOM 0 H VAL A 68 11.086 0.481 2.154 1.00 0.00 H new ATOM 0 HA VAL A 68 11.968 2.956 3.305 1.00 0.00 H new ATOM 0 HB VAL A 68 9.769 3.370 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.490 2.412 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.135 2.889 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.749 1.173 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.023 1.679 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.254 0.397 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.325 1.617 5.250 1.00 0.00 H new ATOM 1061 N PHE A 69 11.818 0.326 5.177 1.00 0.00 N ATOM 1062 CA PHE A 69 12.127 -0.199 6.496 1.00 0.00 C ATOM 1063 C PHE A 69 13.594 -0.624 6.587 1.00 0.00 C ATOM 1064 O PHE A 69 13.936 -1.527 7.350 1.00 0.00 O ATOM 1065 CB PHE A 69 11.239 -1.427 6.708 1.00 0.00 C ATOM 1066 CG PHE A 69 9.858 -1.104 7.284 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.689 -1.008 8.630 1.00 0.00 C ATOM 1068 CD2 PHE A 69 8.801 -0.912 6.450 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.408 -0.709 9.165 1.00 0.00 C ATOM 1070 CE2 PHE A 69 7.520 -0.613 6.985 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.351 -0.517 8.331 1.00 0.00 C ATOM 0 H PHE A 69 11.652 -0.384 4.463 1.00 0.00 H new ATOM 0 HA PHE A 69 11.950 0.566 7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.113 -1.940 5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.748 -2.120 7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.529 -1.159 9.292 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.936 -0.987 5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.273 -0.634 10.234 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.680 -0.462 6.323 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.377 -0.288 8.738 1.00 0.00 H new ATOM 1081 N GLN A 70 14.421 0.047 5.800 1.00 0.00 N ATOM 1082 CA GLN A 70 15.843 -0.250 5.782 1.00 0.00 C ATOM 1083 C GLN A 70 16.546 0.449 6.948 1.00 0.00 C ATOM 1084 O GLN A 70 15.892 1.029 7.814 1.00 0.00 O ATOM 1085 CB GLN A 70 16.471 0.150 4.445 1.00 0.00 C ATOM 1086 CG GLN A 70 16.675 1.664 4.367 1.00 0.00 C ATOM 1087 CD GLN A 70 17.307 2.063 3.031 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.507 2.245 2.912 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.433 2.189 2.036 1.00 0.00 N ATOM 0 H GLN A 70 14.134 0.796 5.170 1.00 0.00 H new ATOM 0 HA GLN A 70 15.970 -1.326 5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.428 -0.356 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.831 -0.177 3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.717 2.170 4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.313 1.992 5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.441 2.022 2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.755 2.453 1.105 1.00 0.00 H new ATOM 1149 N HIS A 76 12.358 5.156 5.219 1.00 0.00 N ATOM 1150 CA HIS A 76 11.249 6.095 5.189 1.00 0.00 C ATOM 1151 C HIS A 76 10.250 5.744 6.293 1.00 0.00 C ATOM 1152 O HIS A 76 9.409 4.863 6.118 1.00 0.00 O ATOM 1153 CB HIS A 76 10.609 6.135 3.800 1.00 0.00 C ATOM 1154 CG HIS A 76 11.587 5.942 2.667 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.547 6.883 2.337 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.745 4.908 1.792 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.245 6.425 1.307 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.746 5.201 0.971 1.00 0.00 N ATOM 0 HA HIS A 76 11.615 7.103 5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.844 5.361 3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.104 7.092 3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.155 4.003 1.771 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.065 6.932 0.820 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.086 4.608 0.214 1.00 0.00 H new ATOM 1166 N PRO A 77 10.377 6.471 7.436 1.00 0.00 N ATOM 1167 CA PRO A 77 9.495 6.245 8.568 1.00 0.00 C ATOM 1168 C PRO A 77 8.107 6.834 8.308 1.00 0.00 C ATOM 1169 O PRO A 77 7.183 6.623 9.091 1.00 0.00 O ATOM 1170 CB PRO A 77 10.201 6.889 9.751 1.00 0.00 C ATOM 1171 CG PRO A 77 11.219 7.849 9.157 1.00 0.00 C ATOM 1172 CD PRO A 77 11.361 7.522 7.679 1.00 0.00 C ATOM 0 HA PRO A 77 9.315 5.187 8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.492 7.417 10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.689 6.137 10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.894 8.881 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.179 7.749 9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.167 8.397 7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.370 7.182 7.444 1.00 0.00 H new ATOM 1180 N ASP A 78 8.005 7.561 7.205 1.00 0.00 N ATOM 1181 CA ASP A 78 6.746 8.182 6.831 1.00 0.00 C ATOM 1182 C ASP A 78 5.905 7.181 6.036 1.00 0.00 C ATOM 1183 O ASP A 78 4.691 7.102 6.218 1.00 0.00 O ATOM 1184 CB ASP A 78 6.977 9.411 5.950 1.00 0.00 C ATOM 1185 CG ASP A 78 6.210 10.665 6.374 1.00 0.00 C ATOM 1186 OD1 ASP A 78 4.985 10.691 6.127 1.00 0.00 O ATOM 1187 OD2 ASP A 78 6.866 11.568 6.936 1.00 0.00 O ATOM 0 H ASP A 78 8.774 7.734 6.558 1.00 0.00 H new ATOM 0 HA ASP A 78 6.236 8.485 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.043 9.640 5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.699 9.162 4.926 1.00 0.00 H new ATOM 1192 N GLN A 79 6.584 6.442 5.171 1.00 0.00 N ATOM 1193 CA GLN A 79 5.914 5.449 4.348 1.00 0.00 C ATOM 1194 C GLN A 79 5.834 4.112 5.087 1.00 0.00 C ATOM 1195 O GLN A 79 5.053 3.239 4.714 1.00 0.00 O ATOM 1196 CB GLN A 79 6.620 5.289 3.000 1.00 0.00 C ATOM 1197 CG GLN A 79 6.523 6.573 2.174 1.00 0.00 C ATOM 1198 CD GLN A 79 7.913 7.077 1.779 1.00 0.00 C ATOM 1199 OE1 GLN A 79 8.458 7.997 2.366 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.453 6.426 0.753 1.00 0.00 N ATOM 0 H GLN A 79 7.591 6.511 5.022 1.00 0.00 H new ATOM 0 HA GLN A 79 4.899 5.794 4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.668 5.035 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.173 4.462 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.931 6.389 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.003 7.340 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.942 5.664 0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.378 6.688 0.413 1.00 0.00 H new ATOM 1209 N GLN A 80 6.653 3.995 6.123 1.00 0.00 N ATOM 1210 CA GLN A 80 6.684 2.779 6.918 1.00 0.00 C ATOM 1211 C GLN A 80 5.265 2.366 7.312 1.00 0.00 C ATOM 1212 O GLN A 80 4.879 1.212 7.136 1.00 0.00 O ATOM 1213 CB GLN A 80 7.567 2.956 8.155 1.00 0.00 C ATOM 1214 CG GLN A 80 8.945 2.327 7.939 1.00 0.00 C ATOM 1215 CD GLN A 80 9.927 2.770 9.026 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.570 2.973 10.175 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.179 2.908 8.601 1.00 0.00 N ATOM 0 H GLN A 80 7.299 4.722 6.430 1.00 0.00 H new ATOM 0 HA GLN A 80 7.118 1.983 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.678 4.017 8.378 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.085 2.498 9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.857 1.241 7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.329 2.611 6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.410 2.722 7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.909 3.200 9.251 1.00 0.00 H new ATOM 1226 N PRO A 81 4.507 3.358 7.852 1.00 0.00 N ATOM 1227 CA PRO A 81 3.138 3.109 8.273 1.00 0.00 C ATOM 1228 C PRO A 81 2.204 3.005 7.066 1.00 0.00 C ATOM 1229 O PRO A 81 1.134 2.405 7.155 1.00 0.00 O ATOM 1230 CB PRO A 81 2.793 4.268 9.193 1.00 0.00 C ATOM 1231 CG PRO A 81 3.806 5.359 8.889 1.00 0.00 C ATOM 1232 CD PRO A 81 4.930 4.737 8.076 1.00 0.00 C ATOM 0 HA PRO A 81 3.024 2.158 8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.776 4.619 9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.847 3.966 10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.337 6.171 8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.195 5.787 9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.075 5.265 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.877 4.778 8.614 1.00 0.00 H new ATOM 1240 N TYR A 82 2.643 3.598 5.966 1.00 0.00 N ATOM 1241 CA TYR A 82 1.859 3.580 4.742 1.00 0.00 C ATOM 1242 C TYR A 82 1.941 2.214 4.059 1.00 0.00 C ATOM 1243 O TYR A 82 0.918 1.630 3.705 1.00 0.00 O ATOM 1244 CB TYR A 82 2.483 4.634 3.826 1.00 0.00 C ATOM 1245 CG TYR A 82 2.146 6.075 4.214 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.346 6.505 5.510 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.642 6.945 3.269 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.029 7.861 5.876 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.325 8.301 3.634 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.534 8.692 4.920 1.00 0.00 C ATOM 1251 OH TYR A 82 1.235 9.973 5.265 1.00 0.00 O ATOM 0 H TYR A 82 3.531 4.094 5.896 1.00 0.00 H new ATOM 0 HA TYR A 82 0.809 3.781 4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.566 4.511 3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.148 4.456 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.740 5.824 6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.485 6.608 2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.181 8.210 6.887 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.930 8.992 2.904 1.00 0.00 H new ATOM 0 HH TYR A 82 2.022 10.540 5.130 1.00 0.00 H new ATOM 1261 N ILE A 83 3.169 1.743 3.893 1.00 0.00 N ATOM 1262 CA ILE A 83 3.398 0.457 3.259 1.00 0.00 C ATOM 1263 C ILE A 83 2.852 -0.655 4.157 1.00 0.00 C ATOM 1264 O ILE A 83 2.391 -1.684 3.666 1.00 0.00 O ATOM 1265 CB ILE A 83 4.877 0.290 2.904 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.097 -0.954 2.040 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.744 0.273 4.165 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.258 -0.889 0.763 1.00 0.00 C ATOM 0 H ILE A 83 4.016 2.230 4.187 1.00 0.00 H new ATOM 0 HA ILE A 83 2.858 0.398 2.314 1.00 0.00 H new ATOM 0 HB ILE A 83 5.186 1.151 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.153 -1.040 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.834 -1.847 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.791 0.153 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.618 1.211 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.442 -0.557 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.433 -1.785 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.202 -0.827 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.541 -0.008 0.186 1.00 0.00 H new ATOM 1280 N THR A 84 2.922 -0.409 5.457 1.00 0.00 N ATOM 1281 CA THR A 84 2.440 -1.377 6.428 1.00 0.00 C ATOM 1282 C THR A 84 0.997 -1.777 6.112 1.00 0.00 C ATOM 1283 O THR A 84 0.656 -2.958 6.141 1.00 0.00 O ATOM 1284 CB THR A 84 2.610 -0.772 7.823 1.00 0.00 C ATOM 1285 OG1 THR A 84 3.989 -0.973 8.122 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.875 -1.570 8.902 1.00 0.00 C ATOM 0 H THR A 84 3.305 0.446 5.860 1.00 0.00 H new ATOM 0 HA THR A 84 3.017 -2.301 6.385 1.00 0.00 H new ATOM 0 HB THR A 84 2.245 0.255 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.537 -0.421 7.526 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.029 -1.097 9.872 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.809 -1.594 8.675 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.263 -2.588 8.929 1.00 0.00 H new ATOM 1294 N VAL A 85 0.189 -0.770 5.817 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.209 -1.001 5.496 1.00 0.00 C ATOM 1296 C VAL A 85 -1.303 -1.821 4.207 1.00 0.00 C ATOM 1297 O VAL A 85 -2.098 -2.755 4.118 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.955 0.332 5.412 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.306 0.162 4.714 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -2.129 0.951 6.800 1.00 0.00 C ATOM 0 H VAL A 85 0.476 0.209 5.793 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.691 -1.578 6.285 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.353 1.015 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.815 1.125 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.148 -0.214 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.918 -0.546 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.662 1.898 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.699 0.271 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.150 1.126 7.246 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.479 -1.442 3.241 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.459 -2.130 1.962 1.00 0.00 C ATOM 1312 C TRP A 86 -0.266 -3.624 2.231 1.00 0.00 C ATOM 1313 O TRP A 86 -1.024 -4.452 1.729 1.00 0.00 O ATOM 1314 CB TRP A 86 0.615 -1.545 1.042 1.00 0.00 C ATOM 1315 CG TRP A 86 0.155 -0.318 0.251 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.216 0.969 0.617 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.442 -0.317 -1.063 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.296 1.798 -0.361 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.708 0.991 -1.415 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.746 -1.384 -1.926 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.292 1.352 -2.636 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.329 -1.007 -3.141 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.604 0.305 -3.511 1.00 0.00 C ATOM 0 H TRP A 86 0.180 -0.667 3.319 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.403 -1.990 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.484 -1.273 1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.939 -2.315 0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.616 1.315 1.559 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.360 2.815 -0.318 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.545 -2.414 -1.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.491 2.383 -2.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.583 -1.790 -3.840 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.056 0.515 -4.469 1.00 0.00 H new ATOM 1334 N GLN A 87 0.753 -3.923 3.024 1.00 0.00 N ATOM 1335 CA GLN A 87 1.055 -5.302 3.366 1.00 0.00 C ATOM 1336 C GLN A 87 -0.175 -5.981 3.971 1.00 0.00 C ATOM 1337 O GLN A 87 -0.423 -7.160 3.724 1.00 0.00 O ATOM 1338 CB GLN A 87 2.250 -5.381 4.319 1.00 0.00 C ATOM 1339 CG GLN A 87 2.409 -6.796 4.881 1.00 0.00 C ATOM 1340 CD GLN A 87 1.861 -6.884 6.307 1.00 0.00 C ATOM 1341 OE1 GLN A 87 0.668 -6.803 6.547 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.797 -7.056 7.236 1.00 0.00 N ATOM 0 H GLN A 87 1.380 -3.233 3.439 1.00 0.00 H new ATOM 0 HA GLN A 87 1.325 -5.832 2.452 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.159 -5.090 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.115 -4.674 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.885 -7.506 4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.462 -7.078 4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.779 -7.116 6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.533 -7.128 8.219 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.914 -5.206 4.752 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.113 -5.718 5.395 1.00 0.00 C ATOM 1353 C ASP A 88 -3.217 -5.881 4.348 1.00 0.00 C ATOM 1354 O ASP A 88 -4.016 -6.813 4.423 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.617 -4.752 6.468 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.166 -5.418 7.732 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -2.723 -6.553 8.013 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.016 -4.778 8.388 1.00 0.00 O ATOM 0 H ASP A 88 -0.706 -4.228 4.954 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.867 -6.674 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.800 -4.088 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.399 -4.128 6.035 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.227 -4.958 3.397 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.220 -4.988 2.337 1.00 0.00 C ATOM 1365 C LEU A 89 -4.118 -6.316 1.585 1.00 0.00 C ATOM 1366 O LEU A 89 -5.106 -7.037 1.453 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.080 -3.759 1.436 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.826 -2.504 1.893 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.216 -1.246 1.271 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.324 -2.620 1.599 1.00 0.00 C ATOM 0 H LEU A 89 -2.564 -4.185 3.339 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.225 -4.935 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.021 -3.516 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.430 -4.023 0.438 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.715 -2.415 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.765 -0.368 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.172 -1.161 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.276 -1.312 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.832 -1.715 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.476 -2.746 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.733 -3.481 2.127 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.914 -6.600 1.111 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.669 -7.829 0.376 1.00 0.00 C ATOM 1384 C VAL A 90 -2.900 -9.026 1.300 1.00 0.00 C ATOM 1385 O VAL A 90 -3.585 -9.978 0.930 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.265 -7.805 -0.232 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.085 -6.592 -1.148 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.194 -7.832 0.860 1.00 0.00 C ATOM 0 H VAL A 90 -2.097 -6.000 1.222 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.367 -7.921 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.147 -8.703 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.079 -6.599 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.815 -6.635 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.233 -5.677 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.794 -7.814 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.310 -6.961 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.302 -8.740 1.453 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.314 -8.939 2.486 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.446 -10.003 3.466 1.00 0.00 C ATOM 1400 C GLN A 91 -3.913 -10.416 3.606 1.00 0.00 C ATOM 1401 O GLN A 91 -4.250 -11.588 3.446 1.00 0.00 O ATOM 1402 CB GLN A 91 -1.864 -9.581 4.816 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.335 -9.577 4.777 1.00 0.00 C ATOM 1404 CD GLN A 91 0.231 -10.891 5.320 1.00 0.00 C ATOM 1405 OE1 GLN A 91 0.185 -11.174 6.506 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.765 -11.676 4.388 1.00 0.00 N ATOM 0 H GLN A 91 -1.747 -8.148 2.790 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.878 -10.865 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.227 -8.587 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.210 -10.262 5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.006 -9.426 3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.045 -8.742 5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.771 -11.378 3.412 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.169 -12.576 4.649 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.746 -9.430 3.904 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.169 -9.676 4.067 1.00 0.00 C ATOM 1417 C ASN A 92 -6.923 -9.096 2.869 1.00 0.00 C ATOM 1418 O ASN A 92 -7.778 -8.226 3.031 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.702 -9.002 5.333 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.283 -9.776 6.584 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -6.974 -10.662 7.058 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.114 -9.392 7.091 1.00 0.00 N ATOM 0 H ASN A 92 -4.463 -8.459 4.037 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.319 -10.753 4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.327 -7.980 5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.789 -8.940 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.746 -9.847 7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.586 -8.643 6.644 1.00 0.00 H new ATOM 1429 N SER A 93 -6.580 -9.600 1.693 1.00 0.00 N ATOM 1430 CA SER A 93 -7.214 -9.143 0.468 1.00 0.00 C ATOM 1431 C SER A 93 -8.691 -8.839 0.726 1.00 0.00 C ATOM 1432 O SER A 93 -9.473 -9.742 1.020 1.00 0.00 O ATOM 1433 CB SER A 93 -7.072 -10.182 -0.646 1.00 0.00 C ATOM 1434 OG SER A 93 -7.890 -11.327 -0.416 1.00 0.00 O ATOM 0 H SER A 93 -5.871 -10.321 1.562 1.00 0.00 H new ATOM 0 HA SER A 93 -6.713 -8.231 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.342 -9.730 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.029 -10.491 -0.723 1.00 0.00 H new ATOM 0 HG SER A 93 -8.570 -11.114 0.257 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.038 -7.530 0.603 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.407 -7.095 0.820 1.00 0.00 C ATOM 1442 C PRO A 94 -11.297 -7.477 -0.365 1.00 0.00 C ATOM 1443 O PRO A 94 -10.799 -7.855 -1.424 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.314 -5.593 1.032 1.00 0.00 C ATOM 1445 CG PRO A 94 -8.966 -5.175 0.468 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.139 -6.433 0.257 1.00 0.00 C ATOM 0 HA PRO A 94 -10.870 -7.577 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.128 -5.076 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.389 -5.343 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.095 -4.641 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.459 -4.496 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.796 -6.513 -0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.251 -6.434 0.889 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.634 -7.363 -0.140 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.598 -7.692 -1.176 1.00 0.00 C ATOM 1456 C PRO A 95 -13.649 -6.599 -2.245 1.00 0.00 C ATOM 1457 O PRO A 95 -14.037 -6.857 -3.383 1.00 0.00 O ATOM 1458 CB PRO A 95 -14.918 -7.868 -0.443 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.744 -7.180 0.901 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.260 -6.918 1.102 1.00 0.00 C ATOM 0 HA PRO A 95 -13.336 -8.599 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.739 -7.424 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.155 -8.924 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.304 -6.245 0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.133 -7.806 1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.066 -5.862 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.873 -7.468 1.960 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.252 -5.401 -1.840 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.248 -4.268 -2.749 1.00 0.00 C ATOM 1470 C TRP A 96 -11.978 -4.348 -3.599 1.00 0.00 C ATOM 1471 O TRP A 96 -11.804 -3.570 -4.536 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.372 -2.950 -1.983 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.354 -2.789 -0.852 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.485 -3.147 0.433 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.037 -2.210 -0.957 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.352 -2.843 1.160 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.444 -2.255 0.288 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.368 -1.666 -2.068 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.154 -1.772 0.541 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.080 -1.188 -1.799 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.469 -1.226 -0.551 1.00 0.00 C ATOM 0 H TRP A 96 -12.931 -5.191 -0.895 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.113 -4.302 -3.411 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.256 -2.123 -2.683 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.377 -2.877 -1.567 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.366 -3.614 0.847 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.208 -3.018 2.154 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.813 -1.621 -3.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.712 -1.818 1.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.522 -0.760 -2.619 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.470 -0.836 -0.424 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.124 -5.295 -3.241 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.875 -5.487 -3.959 1.00 0.00 C ATOM 1494 C ILE A 97 -9.977 -6.744 -4.824 1.00 0.00 C ATOM 1495 O ILE A 97 -9.896 -6.667 -6.049 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.695 -5.504 -2.985 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.139 -4.095 -2.771 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.614 -6.482 -3.452 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -6.871 -4.129 -1.916 1.00 0.00 C ATOM 0 H ILE A 97 -11.272 -5.938 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.690 -4.651 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.055 -5.857 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.919 -3.637 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.892 -3.473 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.786 -6.475 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.033 -7.486 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.252 -6.182 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.497 -3.114 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.099 -4.565 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.112 -4.732 -2.415 1.00 0.00 H new