USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 656 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 112 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.81) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000594) USER MOD Set 2.1: A 81 THR OG1 : rot -51:sc= 1.17 USER MOD Set 2.2: A 83 THR OG1 : rot -160:sc= 0.22 USER MOD Set 2.3: A 86 TYR OH : rot 138:sc= 0.0561 USER MOD Set 3.1: A 27 HIS : no HD1:sc= -9.01! C(o=-13!,f=-11!) USER MOD Set 3.2: A 40 GLN : amide:sc= -4.18! C(o=-13!,f=-16!) USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -0.989 (180deg=-2.19!) USER MOD Single : A 14 MET CE :methyl -153:sc= -0.41 (180deg=-2.39!) USER MOD Single : A 16 HIS : no HE2:sc= 0.0193 X(o=0.019,f=-0.21) USER MOD Single : A 17 TYR OH : rot -59:sc= 0.818 USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.424 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.088) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= -1.33 (180deg=-1.61) USER MOD Single : A 28 TYR OH : rot 153:sc= -3.19! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 150:sc= -0.299 (180deg=-1.52!) USER MOD Single : A 35 CYS SG : rot 17:sc= -0.73 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -2.63 X(o=-2.6,f=-2.9!) USER MOD Single : A 76 CYS SG : rot -55:sc= -0.607 USER MOD Single : A 84 MET CE :methyl 171:sc= -0.412 (180deg=-0.708) USER MOD Single : A 91 ASN : amide:sc= -0.902 K(o=-0.9,f=-0.0078) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.933 K(o=-0.93,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.171 2.756 8.979 1.00 0.00 N ATOM 100 CA LYS A 10 -3.290 1.372 8.539 1.00 0.00 C ATOM 101 C LYS A 10 -1.925 0.796 8.176 1.00 0.00 C ATOM 102 O LYS A 10 -1.218 1.340 7.328 1.00 0.00 O ATOM 103 CB LYS A 10 -4.231 1.277 7.335 1.00 0.00 C ATOM 104 CG LYS A 10 -4.696 -0.138 7.036 1.00 0.00 C ATOM 105 CD LYS A 10 -5.059 -0.307 5.571 1.00 0.00 C ATOM 106 CE LYS A 10 -5.357 -1.761 5.235 1.00 0.00 C ATOM 107 NZ LYS A 10 -6.679 -2.193 5.766 1.00 0.00 N ATOM 0 HA LYS A 10 -3.703 0.790 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.103 1.906 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.725 1.677 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.909 -0.844 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.560 -0.377 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.929 0.307 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.239 0.051 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.339 -1.895 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.574 -2.397 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.008 -3.029 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.587 -2.431 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.367 -1.421 5.654 1.00 0.00 H new ATOM 121 N GLU A 11 -1.561 -0.306 8.823 1.00 0.00 N ATOM 122 CA GLU A 11 -0.281 -0.955 8.567 1.00 0.00 C ATOM 123 C GLU A 11 -0.445 -2.469 8.480 1.00 0.00 C ATOM 124 O GLU A 11 -1.494 -3.012 8.827 1.00 0.00 O ATOM 125 CB GLU A 11 0.723 -0.602 9.667 1.00 0.00 C ATOM 126 CG GLU A 11 0.638 0.843 10.128 1.00 0.00 C ATOM 127 CD GLU A 11 1.167 1.038 11.536 1.00 0.00 C ATOM 128 OE1 GLU A 11 0.411 0.779 12.496 1.00 0.00 O ATOM 129 OE2 GLU A 11 2.337 1.449 11.678 1.00 0.00 O ATOM 0 H GLU A 11 -2.135 -0.768 9.529 1.00 0.00 H new ATOM 0 HA GLU A 11 0.096 -0.593 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.558 -1.258 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.731 -0.800 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.203 1.473 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.400 1.174 10.085 1.00 0.00 H new ATOM 136 N GLY A 12 0.600 -3.146 8.013 1.00 0.00 N ATOM 137 CA GLY A 12 0.551 -4.591 7.888 1.00 0.00 C ATOM 138 C GLY A 12 1.514 -5.115 6.840 1.00 0.00 C ATOM 139 O GLY A 12 1.854 -4.408 5.892 1.00 0.00 O ATOM 0 H GLY A 12 1.479 -2.720 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.785 -5.044 8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.463 -4.896 7.630 1.00 0.00 H new ATOM 143 N TRP A 13 1.955 -6.356 7.012 1.00 0.00 N ATOM 144 CA TRP A 13 2.886 -6.973 6.074 1.00 0.00 C ATOM 145 C TRP A 13 2.164 -7.427 4.810 1.00 0.00 C ATOM 146 O TRP A 13 1.264 -8.264 4.866 1.00 0.00 O ATOM 147 CB TRP A 13 3.589 -8.162 6.730 1.00 0.00 C ATOM 148 CG TRP A 13 4.663 -7.759 7.694 1.00 0.00 C ATOM 149 CD1 TRP A 13 4.491 -7.305 8.971 1.00 0.00 C ATOM 150 CD2 TRP A 13 6.075 -7.771 7.458 1.00 0.00 C ATOM 151 NE1 TRP A 13 5.710 -7.035 9.543 1.00 0.00 N ATOM 152 CE2 TRP A 13 6.698 -7.313 8.636 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.874 -8.127 6.368 1.00 0.00 C ATOM 154 CZ2 TRP A 13 8.082 -7.201 8.750 1.00 0.00 C ATOM 155 CZ3 TRP A 13 8.247 -8.014 6.484 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.839 -7.556 7.668 1.00 0.00 C ATOM 0 H TRP A 13 1.683 -6.955 7.792 1.00 0.00 H new ATOM 0 HA TRP A 13 3.631 -6.228 5.796 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.850 -8.768 7.253 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.025 -8.791 5.954 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.536 -7.177 9.459 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.856 -6.684 10.490 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.427 -8.484 5.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.541 -6.846 9.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.874 -8.284 5.647 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.915 -7.482 7.727 1.00 0.00 H new ATOM 167 N MET A 14 2.565 -6.869 3.672 1.00 0.00 N ATOM 168 CA MET A 14 1.956 -7.219 2.394 1.00 0.00 C ATOM 169 C MET A 14 3.021 -7.604 1.372 1.00 0.00 C ATOM 170 O MET A 14 4.212 -7.383 1.589 1.00 0.00 O ATOM 171 CB MET A 14 1.123 -6.050 1.865 1.00 0.00 C ATOM 172 CG MET A 14 0.085 -6.462 0.833 1.00 0.00 C ATOM 173 SD MET A 14 -1.296 -5.307 0.739 1.00 0.00 S ATOM 174 CE MET A 14 -2.495 -6.126 1.787 1.00 0.00 C ATOM 0 H MET A 14 3.308 -6.173 3.609 1.00 0.00 H new ATOM 0 HA MET A 14 1.304 -8.078 2.553 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.619 -5.565 2.701 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.790 -5.310 1.422 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.560 -6.535 -0.145 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.292 -7.455 1.079 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.501 -5.844 1.478 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.378 -7.206 1.699 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.337 -5.827 2.823 1.00 0.00 H new ATOM 184 N VAL A 15 2.583 -8.182 0.258 1.00 0.00 N ATOM 185 CA VAL A 15 3.499 -8.598 -0.798 1.00 0.00 C ATOM 186 C VAL A 15 3.242 -7.822 -2.085 1.00 0.00 C ATOM 187 O VAL A 15 2.109 -7.434 -2.373 1.00 0.00 O ATOM 188 CB VAL A 15 3.376 -10.105 -1.087 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.602 -10.913 0.182 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.018 -10.422 -1.696 1.00 0.00 C ATOM 0 H VAL A 15 1.600 -8.373 0.063 1.00 0.00 H new ATOM 0 HA VAL A 15 4.508 -8.385 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 15 4.145 -10.383 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.511 -11.976 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.599 -10.708 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.858 -10.635 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.949 -11.492 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.231 -10.130 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.901 -9.872 -2.630 1.00 0.00 H new ATOM 200 N HIS A 16 4.301 -7.599 -2.857 1.00 0.00 N ATOM 201 CA HIS A 16 4.190 -6.870 -4.116 1.00 0.00 C ATOM 202 C HIS A 16 5.306 -7.270 -5.076 1.00 0.00 C ATOM 203 O HIS A 16 6.363 -7.740 -4.653 1.00 0.00 O ATOM 204 CB HIS A 16 4.235 -5.363 -3.862 1.00 0.00 C ATOM 205 CG HIS A 16 5.625 -4.815 -3.758 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.447 -5.049 -2.676 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.337 -4.040 -4.609 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.604 -4.441 -2.866 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.564 -3.822 -4.032 1.00 0.00 N ATOM 0 H HIS A 16 5.245 -7.912 -2.633 1.00 0.00 H new ATOM 0 HA HIS A 16 3.234 -7.126 -4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.711 -4.851 -4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.696 -5.142 -2.941 1.00 0.00 H new ATOM 0 HD1 HIS A 16 6.200 -5.605 -1.857 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.002 -3.663 -5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.441 -4.449 -2.184 1.00 0.00 H new ATOM 218 N TYR A 17 5.064 -7.082 -6.368 1.00 0.00 N ATOM 219 CA TYR A 17 6.047 -7.426 -7.388 1.00 0.00 C ATOM 220 C TYR A 17 6.084 -6.369 -8.488 1.00 0.00 C ATOM 221 O TYR A 17 5.056 -5.797 -8.852 1.00 0.00 O ATOM 222 CB TYR A 17 5.729 -8.795 -7.992 1.00 0.00 C ATOM 223 CG TYR A 17 4.599 -8.766 -8.996 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.836 -8.457 -10.330 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.294 -9.048 -8.611 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.806 -8.429 -11.250 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.258 -9.023 -9.525 1.00 0.00 C ATOM 228 CZ TYR A 17 2.519 -8.713 -10.843 1.00 0.00 C ATOM 229 OH TYR A 17 1.491 -8.687 -11.758 1.00 0.00 O ATOM 0 H TYR A 17 4.195 -6.693 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 17 7.027 -7.465 -6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.624 -9.186 -8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.473 -9.486 -7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.842 -8.235 -10.653 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.086 -9.291 -7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.007 -8.186 -12.283 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.249 -9.245 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 17 1.430 -7.794 -12.156 1.00 0.00 H new ATOM 239 N THR A 18 7.278 -6.114 -9.014 1.00 0.00 N ATOM 240 CA THR A 18 7.452 -5.126 -10.071 1.00 0.00 C ATOM 241 C THR A 18 7.488 -5.789 -11.443 1.00 0.00 C ATOM 242 O THR A 18 7.685 -6.999 -11.553 1.00 0.00 O ATOM 243 CB THR A 18 8.745 -4.313 -9.873 1.00 0.00 C ATOM 244 OG1 THR A 18 9.882 -5.182 -9.918 1.00 0.00 O ATOM 245 CG2 THR A 18 8.720 -3.570 -8.546 1.00 0.00 C ATOM 0 H THR A 18 8.139 -6.578 -8.725 1.00 0.00 H new ATOM 0 HA THR A 18 6.596 -4.453 -10.018 1.00 0.00 H new ATOM 0 HB THR A 18 8.815 -3.582 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.596 -6.104 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.644 -3.003 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.870 -2.887 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.628 -4.286 -7.730 1.00 0.00 H new ATOM 253 N SER A 19 7.295 -4.990 -12.488 1.00 0.00 N ATOM 254 CA SER A 19 7.303 -5.501 -13.853 1.00 0.00 C ATOM 255 C SER A 19 8.635 -6.170 -14.176 1.00 0.00 C ATOM 256 O SER A 19 8.680 -7.345 -14.540 1.00 0.00 O ATOM 257 CB SER A 19 7.034 -4.368 -14.846 1.00 0.00 C ATOM 258 OG SER A 19 7.077 -4.839 -16.181 1.00 0.00 O ATOM 0 H SER A 19 7.131 -3.986 -12.415 1.00 0.00 H new ATOM 0 HA SER A 19 6.512 -6.246 -13.940 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.058 -3.927 -14.644 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.774 -3.579 -14.711 1.00 0.00 H new ATOM 0 HG SER A 19 6.901 -4.096 -16.796 1.00 0.00 H new ATOM 264 N ARG A 20 9.719 -5.413 -14.040 1.00 0.00 N ATOM 265 CA ARG A 20 11.053 -5.931 -14.318 1.00 0.00 C ATOM 266 C ARG A 20 11.436 -7.014 -13.313 1.00 0.00 C ATOM 267 O ARG A 20 11.637 -8.171 -13.680 1.00 0.00 O ATOM 268 CB ARG A 20 12.081 -4.798 -14.280 1.00 0.00 C ATOM 269 CG ARG A 20 12.104 -3.954 -15.544 1.00 0.00 C ATOM 270 CD ARG A 20 12.896 -4.632 -16.651 1.00 0.00 C ATOM 271 NE ARG A 20 13.264 -3.697 -17.711 1.00 0.00 N ATOM 272 CZ ARG A 20 14.298 -3.879 -18.525 1.00 0.00 C ATOM 273 NH1 ARG A 20 15.062 -4.955 -18.401 1.00 0.00 N ATOM 274 NH2 ARG A 20 14.570 -2.983 -19.465 1.00 0.00 N ATOM 0 H ARG A 20 9.699 -4.439 -13.739 1.00 0.00 H new ATOM 0 HA ARG A 20 11.044 -6.371 -15.315 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.868 -4.154 -13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.072 -5.223 -14.119 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.083 -3.775 -15.882 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.542 -2.980 -15.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.798 -5.077 -16.231 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.306 -5.445 -17.073 1.00 0.00 H new ATOM 0 HE ARG A 20 12.696 -2.859 -17.833 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.857 -5.646 -17.679 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.855 -5.092 -19.027 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.985 -2.153 -19.563 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.364 -3.124 -20.089 1.00 0.00 H new ATOM 288 N ASP A 21 11.535 -6.629 -12.046 1.00 0.00 N ATOM 289 CA ASP A 21 11.893 -7.567 -10.988 1.00 0.00 C ATOM 290 C ASP A 21 10.657 -8.284 -10.456 1.00 0.00 C ATOM 291 O ASP A 21 10.106 -7.909 -9.422 1.00 0.00 O ATOM 292 CB ASP A 21 12.603 -6.835 -9.848 1.00 0.00 C ATOM 293 CG ASP A 21 13.510 -5.727 -10.346 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.222 -5.949 -11.348 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.508 -4.638 -9.735 1.00 0.00 O ATOM 0 H ASP A 21 11.373 -5.674 -11.726 1.00 0.00 H new ATOM 0 HA ASP A 21 12.569 -8.311 -11.409 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.859 -6.415 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.190 -7.550 -9.272 1.00 0.00 H new ATOM 300 N ASN A 22 10.224 -9.317 -11.172 1.00 0.00 N ATOM 301 CA ASN A 22 9.052 -10.087 -10.773 1.00 0.00 C ATOM 302 C ASN A 22 9.208 -10.620 -9.352 1.00 0.00 C ATOM 303 O ASN A 22 8.241 -10.686 -8.592 1.00 0.00 O ATOM 304 CB ASN A 22 8.823 -11.248 -11.743 1.00 0.00 C ATOM 305 CG ASN A 22 8.749 -10.789 -13.187 1.00 0.00 C ATOM 306 OD1 ASN A 22 7.692 -10.380 -13.666 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.875 -10.856 -13.887 1.00 0.00 N ATOM 0 H ASN A 22 10.668 -9.640 -12.032 1.00 0.00 H new ATOM 0 HA ASN A 22 8.187 -9.424 -10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.631 -11.972 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.898 -11.761 -11.480 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.887 -10.561 -14.863 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.728 -11.202 -13.448 1.00 0.00 H new ATOM 314 N LEU A 23 10.432 -10.998 -8.999 1.00 0.00 N ATOM 315 CA LEU A 23 10.716 -11.524 -7.669 1.00 0.00 C ATOM 316 C LEU A 23 9.852 -10.839 -6.616 1.00 0.00 C ATOM 317 O LEU A 23 10.146 -9.722 -6.189 1.00 0.00 O ATOM 318 CB LEU A 23 12.197 -11.338 -7.331 1.00 0.00 C ATOM 319 CG LEU A 23 12.598 -11.635 -5.886 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.750 -13.133 -5.671 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.887 -10.909 -5.530 1.00 0.00 C ATOM 0 H LEU A 23 11.243 -10.950 -9.615 1.00 0.00 H new ATOM 0 HA LEU A 23 10.480 -12.588 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.783 -11.980 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.475 -10.309 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 23 11.808 -11.273 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.036 -13.325 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.803 -13.629 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.520 -13.520 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.157 -11.132 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.686 -11.240 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.743 -9.835 -5.643 1.00 0.00 H new ATOM 333 N ARG A 24 8.787 -11.516 -6.199 1.00 0.00 N ATOM 334 CA ARG A 24 7.881 -10.972 -5.195 1.00 0.00 C ATOM 335 C ARG A 24 8.659 -10.400 -4.013 1.00 0.00 C ATOM 336 O ARG A 24 9.796 -10.796 -3.754 1.00 0.00 O ATOM 337 CB ARG A 24 6.917 -12.056 -4.707 1.00 0.00 C ATOM 338 CG ARG A 24 5.904 -11.556 -3.690 1.00 0.00 C ATOM 339 CD ARG A 24 4.935 -12.655 -3.284 1.00 0.00 C ATOM 340 NE ARG A 24 4.119 -13.109 -4.407 1.00 0.00 N ATOM 341 CZ ARG A 24 4.511 -14.037 -5.272 1.00 0.00 C ATOM 342 NH1 ARG A 24 5.701 -14.608 -5.144 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.712 -14.397 -6.269 1.00 0.00 N ATOM 0 H ARG A 24 8.531 -12.442 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 24 7.309 -10.166 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.385 -12.470 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.492 -12.870 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.425 -11.185 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.349 -10.717 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.493 -13.498 -2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.285 -12.290 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 24 3.198 -12.690 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.318 -14.335 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.999 -15.321 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.796 -13.961 -6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.014 -15.110 -6.933 1.00 0.00 H new ATOM 357 N LYS A 25 8.040 -9.466 -3.300 1.00 0.00 N ATOM 358 CA LYS A 25 8.672 -8.838 -2.146 1.00 0.00 C ATOM 359 C LYS A 25 7.641 -8.514 -1.070 1.00 0.00 C ATOM 360 O LYS A 25 6.686 -7.776 -1.315 1.00 0.00 O ATOM 361 CB LYS A 25 9.402 -7.561 -2.570 1.00 0.00 C ATOM 362 CG LYS A 25 10.726 -7.821 -3.267 1.00 0.00 C ATOM 363 CD LYS A 25 11.366 -6.528 -3.746 1.00 0.00 C ATOM 364 CE LYS A 25 12.839 -6.724 -4.074 1.00 0.00 C ATOM 365 NZ LYS A 25 13.031 -7.624 -5.246 1.00 0.00 N ATOM 0 H LYS A 25 7.099 -9.127 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 25 9.394 -9.541 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.757 -6.988 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.580 -6.944 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.404 -8.333 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.567 -8.486 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.840 -6.166 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.262 -5.762 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.297 -5.757 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.352 -7.142 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.033 -7.896 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.448 -8.477 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.747 -7.128 -6.115 1.00 0.00 H new ATOM 379 N ARG A 26 7.841 -9.068 0.121 1.00 0.00 N ATOM 380 CA ARG A 26 6.928 -8.837 1.234 1.00 0.00 C ATOM 381 C ARG A 26 7.580 -7.959 2.299 1.00 0.00 C ATOM 382 O ARG A 26 8.641 -8.292 2.829 1.00 0.00 O ATOM 383 CB ARG A 26 6.495 -10.168 1.851 1.00 0.00 C ATOM 384 CG ARG A 26 5.661 -10.012 3.112 1.00 0.00 C ATOM 385 CD ARG A 26 5.867 -11.180 4.064 1.00 0.00 C ATOM 386 NE ARG A 26 5.413 -12.442 3.487 1.00 0.00 N ATOM 387 CZ ARG A 26 5.274 -13.562 4.187 1.00 0.00 C ATOM 388 NH1 ARG A 26 5.551 -13.576 5.484 1.00 0.00 N ATOM 389 NH2 ARG A 26 4.856 -14.672 3.591 1.00 0.00 N ATOM 0 H ARG A 26 8.627 -9.680 0.340 1.00 0.00 H new ATOM 0 HA ARG A 26 6.049 -8.320 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.922 -10.731 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.382 -10.757 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.928 -9.081 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.607 -9.940 2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.924 -11.257 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.328 -10.991 4.992 1.00 0.00 H new ATOM 0 HE ARG A 26 5.190 -12.465 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.872 -12.725 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.443 -14.438 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.641 -14.666 2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.750 -15.531 4.130 1.00 0.00 H new ATOM 403 N HIS A 27 6.939 -6.836 2.607 1.00 0.00 N ATOM 404 CA HIS A 27 7.457 -5.910 3.608 1.00 0.00 C ATOM 405 C HIS A 27 6.319 -5.289 4.413 1.00 0.00 C ATOM 406 O HIS A 27 5.155 -5.362 4.020 1.00 0.00 O ATOM 407 CB HIS A 27 8.282 -4.811 2.939 1.00 0.00 C ATOM 408 CG HIS A 27 9.270 -5.328 1.938 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.388 -4.816 0.664 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.189 -6.318 2.031 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.336 -5.469 0.015 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.838 -6.385 0.823 1.00 0.00 N ATOM 0 H HIS A 27 6.060 -6.545 2.178 1.00 0.00 H new ATOM 0 HA HIS A 27 8.097 -6.471 4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.608 -4.112 2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.815 -4.250 3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.377 -6.939 2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.647 -5.285 -1.003 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.587 -7.037 0.588 1.00 0.00 H new ATOM 421 N TYR A 28 6.664 -4.680 5.542 1.00 0.00 N ATOM 422 CA TYR A 28 5.672 -4.050 6.405 1.00 0.00 C ATOM 423 C TYR A 28 5.168 -2.746 5.793 1.00 0.00 C ATOM 424 O TYR A 28 5.737 -1.679 6.023 1.00 0.00 O ATOM 425 CB TYR A 28 6.265 -3.781 7.789 1.00 0.00 C ATOM 426 CG TYR A 28 5.292 -3.137 8.750 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.307 -3.887 9.379 1.00 0.00 C ATOM 428 CD2 TYR A 28 5.359 -1.777 9.029 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.415 -3.303 10.258 1.00 0.00 C ATOM 430 CE2 TYR A 28 4.472 -1.184 9.908 1.00 0.00 C ATOM 431 CZ TYR A 28 3.502 -1.951 10.519 1.00 0.00 C ATOM 432 OH TYR A 28 2.617 -1.365 11.394 1.00 0.00 O ATOM 0 H TYR A 28 7.623 -4.609 5.881 1.00 0.00 H new ATOM 0 HA TYR A 28 4.829 -4.734 6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.614 -4.722 8.215 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.137 -3.136 7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.237 -4.946 9.178 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.117 -1.174 8.551 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.654 -3.901 10.738 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.538 -0.126 10.115 1.00 0.00 H new ATOM 0 HH TYR A 28 3.032 -0.576 11.800 1.00 0.00 H new ATOM 442 N TRP A 29 4.097 -2.841 5.014 1.00 0.00 N ATOM 443 CA TRP A 29 3.515 -1.670 4.369 1.00 0.00 C ATOM 444 C TRP A 29 2.699 -0.850 5.362 1.00 0.00 C ATOM 445 O TRP A 29 1.787 -1.368 6.007 1.00 0.00 O ATOM 446 CB TRP A 29 2.633 -2.095 3.194 1.00 0.00 C ATOM 447 CG TRP A 29 3.391 -2.263 1.912 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.627 -2.823 1.758 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.963 -1.866 0.604 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.993 -2.799 0.434 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.989 -2.217 -0.294 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.812 -1.250 0.105 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.897 -1.971 -1.662 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.723 -1.006 -1.252 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.760 -1.366 -2.123 1.00 0.00 C ATOM 0 H TRP A 29 3.614 -3.717 4.814 1.00 0.00 H new ATOM 0 HA TRP A 29 4.330 -1.049 3.997 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.139 -3.035 3.441 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.849 -1.351 3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.229 -3.226 2.559 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.870 -3.156 0.055 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.007 -0.970 0.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.695 -2.248 -2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.839 -0.529 -1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.660 -1.162 -3.179 1.00 0.00 H new ATOM 466 N ARG A 30 3.033 0.431 5.481 1.00 0.00 N ATOM 467 CA ARG A 30 2.331 1.321 6.397 1.00 0.00 C ATOM 468 C ARG A 30 1.821 2.560 5.668 1.00 0.00 C ATOM 469 O ARG A 30 2.561 3.204 4.923 1.00 0.00 O ATOM 470 CB ARG A 30 3.253 1.736 7.545 1.00 0.00 C ATOM 471 CG ARG A 30 4.361 2.687 7.124 1.00 0.00 C ATOM 472 CD ARG A 30 5.147 3.194 8.323 1.00 0.00 C ATOM 473 NE ARG A 30 4.307 3.952 9.247 1.00 0.00 N ATOM 474 CZ ARG A 30 4.776 4.881 10.072 1.00 0.00 C ATOM 475 NH1 ARG A 30 6.071 5.166 10.088 1.00 0.00 N ATOM 476 NH2 ARG A 30 3.949 5.528 10.883 1.00 0.00 N ATOM 0 H ARG A 30 3.785 0.875 4.955 1.00 0.00 H new ATOM 0 HA ARG A 30 1.475 0.782 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.657 2.209 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.699 0.843 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.035 2.179 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.932 3.532 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.593 2.349 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.967 3.824 7.979 1.00 0.00 H new ATOM 0 HE ARG A 30 3.306 3.757 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.710 4.671 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.428 5.880 10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.952 5.312 10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.310 6.241 11.516 1.00 0.00 H new ATOM 490 N LEU A 31 0.552 2.888 5.885 1.00 0.00 N ATOM 491 CA LEU A 31 -0.058 4.050 5.248 1.00 0.00 C ATOM 492 C LEU A 31 -0.637 5.002 6.291 1.00 0.00 C ATOM 493 O LEU A 31 -1.184 4.569 7.305 1.00 0.00 O ATOM 494 CB LEU A 31 -1.156 3.607 4.280 1.00 0.00 C ATOM 495 CG LEU A 31 -2.084 4.710 3.768 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.500 5.365 2.526 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.469 4.149 3.477 1.00 0.00 C ATOM 0 H LEU A 31 -0.075 2.366 6.497 1.00 0.00 H new ATOM 0 HA LEU A 31 0.717 4.578 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.685 3.129 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.764 2.849 4.774 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.177 5.470 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.174 6.147 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.531 5.802 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.376 4.616 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.116 4.947 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.394 3.370 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.890 3.728 4.390 1.00 0.00 H new ATOM 509 N ASP A 32 -0.513 6.299 6.033 1.00 0.00 N ATOM 510 CA ASP A 32 -1.026 7.313 6.947 1.00 0.00 C ATOM 511 C ASP A 32 -1.603 8.497 6.178 1.00 0.00 C ATOM 512 O ASP A 32 -1.435 8.601 4.963 1.00 0.00 O ATOM 513 CB ASP A 32 0.082 7.790 7.887 1.00 0.00 C ATOM 514 CG ASP A 32 1.455 7.712 7.250 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.998 6.591 7.146 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.987 8.770 6.856 1.00 0.00 O ATOM 0 H ASP A 32 -0.062 6.673 5.198 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.824 6.864 7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.118 8.819 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.071 7.185 8.794 1.00 0.00 H new ATOM 521 N SER A 33 -2.284 9.386 6.893 1.00 0.00 N ATOM 522 CA SER A 33 -2.890 10.560 6.277 1.00 0.00 C ATOM 523 C SER A 33 -1.835 11.416 5.583 1.00 0.00 C ATOM 524 O SER A 33 -2.158 12.311 4.802 1.00 0.00 O ATOM 525 CB SER A 33 -3.627 11.392 7.329 1.00 0.00 C ATOM 526 OG SER A 33 -2.725 12.210 8.054 1.00 0.00 O ATOM 0 H SER A 33 -2.430 9.316 7.900 1.00 0.00 H new ATOM 0 HA SER A 33 -3.605 10.218 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.379 12.015 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.156 10.731 8.015 1.00 0.00 H new ATOM 0 HG SER A 33 -3.220 12.733 8.719 1.00 0.00 H new ATOM 532 N LYS A 34 -0.569 11.134 5.875 1.00 0.00 N ATOM 533 CA LYS A 34 0.537 11.875 5.280 1.00 0.00 C ATOM 534 C LYS A 34 0.993 11.221 3.980 1.00 0.00 C ATOM 535 O LYS A 34 0.751 11.746 2.892 1.00 0.00 O ATOM 536 CB LYS A 34 1.709 11.957 6.261 1.00 0.00 C ATOM 537 CG LYS A 34 2.831 12.868 5.793 1.00 0.00 C ATOM 538 CD LYS A 34 4.102 12.644 6.595 1.00 0.00 C ATOM 539 CE LYS A 34 4.150 13.541 7.823 1.00 0.00 C ATOM 540 NZ LYS A 34 3.132 13.150 8.836 1.00 0.00 N ATOM 0 H LYS A 34 -0.284 10.397 6.520 1.00 0.00 H new ATOM 0 HA LYS A 34 0.188 12.883 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.342 12.312 7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.108 10.956 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.030 12.689 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.519 13.908 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.160 11.600 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.970 12.840 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.143 13.493 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.985 14.576 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.481 13.385 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.247 13.665 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.956 12.127 8.775 1.00 0.00 H new ATOM 554 N CYS A 35 1.652 10.074 4.100 1.00 0.00 N ATOM 555 CA CYS A 35 2.142 9.348 2.933 1.00 0.00 C ATOM 556 C CYS A 35 2.357 7.874 3.261 1.00 0.00 C ATOM 557 O CYS A 35 2.437 7.492 4.429 1.00 0.00 O ATOM 558 CB CYS A 35 3.447 9.967 2.432 1.00 0.00 C ATOM 559 SG CYS A 35 3.242 11.577 1.633 1.00 0.00 S ATOM 0 H CYS A 35 1.859 9.627 4.993 1.00 0.00 H new ATOM 0 HA CYS A 35 1.389 9.421 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.132 10.075 3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.915 9.280 1.727 1.00 0.00 H new ATOM 0 HG CYS A 35 2.084 12.075 1.951 1.00 0.00 H new ATOM 565 N LEU A 36 2.447 7.050 2.223 1.00 0.00 N ATOM 566 CA LEU A 36 2.651 5.616 2.400 1.00 0.00 C ATOM 567 C LEU A 36 4.134 5.291 2.543 1.00 0.00 C ATOM 568 O LEU A 36 4.939 5.612 1.668 1.00 0.00 O ATOM 569 CB LEU A 36 2.060 4.847 1.217 1.00 0.00 C ATOM 570 CG LEU A 36 2.293 3.336 1.215 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.298 2.642 2.133 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.193 2.783 -0.199 1.00 0.00 C ATOM 0 H LEU A 36 2.382 7.350 1.250 1.00 0.00 H new ATOM 0 HA LEU A 36 2.141 5.311 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.986 5.029 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.475 5.260 0.297 1.00 0.00 H new ATOM 0 HG LEU A 36 3.298 3.142 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.479 1.567 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.418 3.017 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.284 2.844 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.362 1.706 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.201 2.988 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.945 3.258 -0.829 1.00 0.00 H new ATOM 584 N THR A 37 4.490 4.649 3.651 1.00 0.00 N ATOM 585 CA THR A 37 5.876 4.279 3.909 1.00 0.00 C ATOM 586 C THR A 37 6.052 2.765 3.894 1.00 0.00 C ATOM 587 O THR A 37 5.102 2.016 4.125 1.00 0.00 O ATOM 588 CB THR A 37 6.362 4.827 5.264 1.00 0.00 C ATOM 589 OG1 THR A 37 6.141 6.241 5.327 1.00 0.00 O ATOM 590 CG2 THR A 37 7.839 4.530 5.470 1.00 0.00 C ATOM 0 H THR A 37 3.837 4.374 4.385 1.00 0.00 H new ATOM 0 HA THR A 37 6.474 4.720 3.112 1.00 0.00 H new ATOM 0 HB THR A 37 5.796 4.335 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.451 6.582 6.192 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.159 4.927 6.434 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.000 3.452 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.419 4.998 4.674 1.00 0.00 H new ATOM 598 N LEU A 38 7.274 2.319 3.622 1.00 0.00 N ATOM 599 CA LEU A 38 7.575 0.892 3.578 1.00 0.00 C ATOM 600 C LEU A 38 8.649 0.531 4.599 1.00 0.00 C ATOM 601 O LEU A 38 9.520 1.343 4.914 1.00 0.00 O ATOM 602 CB LEU A 38 8.034 0.491 2.175 1.00 0.00 C ATOM 603 CG LEU A 38 6.933 0.049 1.210 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.207 1.258 0.640 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.514 -0.803 0.091 1.00 0.00 C ATOM 0 H LEU A 38 8.072 2.925 3.429 1.00 0.00 H new ATOM 0 HA LEU A 38 6.665 0.346 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.561 1.336 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.755 -0.321 2.268 1.00 0.00 H new ATOM 0 HG LEU A 38 6.213 -0.555 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.427 0.925 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.757 1.829 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.916 1.888 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.716 -1.108 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.255 -0.224 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.988 -1.688 0.516 1.00 0.00 H new ATOM 617 N PHE A 39 8.583 -0.694 5.112 1.00 0.00 N ATOM 618 CA PHE A 39 9.551 -1.163 6.097 1.00 0.00 C ATOM 619 C PHE A 39 9.966 -2.603 5.807 1.00 0.00 C ATOM 620 O PHE A 39 9.125 -3.498 5.733 1.00 0.00 O ATOM 621 CB PHE A 39 8.965 -1.063 7.507 1.00 0.00 C ATOM 622 CG PHE A 39 9.162 0.283 8.143 1.00 0.00 C ATOM 623 CD1 PHE A 39 10.436 0.756 8.414 1.00 0.00 C ATOM 624 CD2 PHE A 39 8.074 1.076 8.470 1.00 0.00 C ATOM 625 CE1 PHE A 39 10.621 1.994 9.000 1.00 0.00 C ATOM 626 CE2 PHE A 39 8.252 2.315 9.057 1.00 0.00 C ATOM 627 CZ PHE A 39 9.527 2.774 9.321 1.00 0.00 C ATOM 0 H PHE A 39 7.870 -1.379 4.862 1.00 0.00 H new ATOM 0 HA PHE A 39 10.435 -0.528 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.898 -1.284 7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.424 -1.825 8.137 1.00 0.00 H new ATOM 0 HD1 PHE A 39 11.294 0.150 8.164 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.075 0.722 8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 39 11.619 2.351 9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.395 2.923 9.309 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.669 3.742 9.778 1.00 0.00 H new ATOM 637 N GLN A 40 11.268 -2.816 5.645 1.00 0.00 N ATOM 638 CA GLN A 40 11.794 -4.146 5.363 1.00 0.00 C ATOM 639 C GLN A 40 11.586 -5.078 6.552 1.00 0.00 C ATOM 640 O GLN A 40 11.207 -6.237 6.385 1.00 0.00 O ATOM 641 CB GLN A 40 13.282 -4.066 5.017 1.00 0.00 C ATOM 642 CG GLN A 40 13.552 -3.686 3.570 1.00 0.00 C ATOM 643 CD GLN A 40 13.618 -4.892 2.654 1.00 0.00 C ATOM 644 OE1 GLN A 40 12.613 -5.564 2.419 1.00 0.00 O ATOM 645 NE2 GLN A 40 14.805 -5.172 2.129 1.00 0.00 N ATOM 0 H GLN A 40 11.977 -2.085 5.704 1.00 0.00 H new ATOM 0 HA GLN A 40 11.250 -4.550 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.759 -3.336 5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.747 -5.030 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.768 -3.013 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.492 -3.138 3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.611 -4.588 2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.910 -5.971 1.504 1.00 0.00 H new ATOM 654 N ASN A 41 11.835 -4.563 7.751 1.00 0.00 N ATOM 655 CA ASN A 41 11.675 -5.350 8.969 1.00 0.00 C ATOM 656 C ASN A 41 11.032 -4.518 10.074 1.00 0.00 C ATOM 657 O ASN A 41 11.070 -3.289 10.040 1.00 0.00 O ATOM 658 CB ASN A 41 13.031 -5.882 9.439 1.00 0.00 C ATOM 659 CG ASN A 41 13.502 -7.069 8.621 1.00 0.00 C ATOM 660 OD1 ASN A 41 14.168 -6.906 7.598 1.00 0.00 O ATOM 661 ND2 ASN A 41 13.157 -8.270 9.068 1.00 0.00 N ATOM 0 H ASN A 41 12.148 -3.605 7.906 1.00 0.00 H new ATOM 0 HA ASN A 41 11.020 -6.192 8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.772 -5.085 9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.961 -6.172 10.487 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.445 -9.106 8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.604 -8.357 9.921 1.00 0.00 H new ATOM 755 N TYR A 48 12.808 1.569 3.542 1.00 0.00 N ATOM 756 CA TYR A 48 12.963 1.066 2.183 1.00 0.00 C ATOM 757 C TYR A 48 12.745 2.178 1.162 1.00 0.00 C ATOM 758 O TYR A 48 13.664 2.563 0.439 1.00 0.00 O ATOM 759 CB TYR A 48 11.980 -0.078 1.925 1.00 0.00 C ATOM 760 CG TYR A 48 12.188 -0.767 0.595 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.574 -0.294 -0.558 1.00 0.00 C ATOM 762 CD2 TYR A 48 13.000 -1.889 0.492 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.761 -0.921 -1.775 1.00 0.00 C ATOM 764 CE2 TYR A 48 13.194 -2.522 -0.721 1.00 0.00 C ATOM 765 CZ TYR A 48 12.572 -2.034 -1.851 1.00 0.00 C ATOM 766 OH TYR A 48 12.762 -2.661 -3.062 1.00 0.00 O ATOM 0 HA TYR A 48 13.981 0.693 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.074 -0.813 2.724 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.963 0.312 1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.940 0.578 -0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.488 -2.273 1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.275 -0.542 -2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.829 -3.393 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 48 13.361 -3.427 -2.943 1.00 0.00 H new ATOM 776 N LYS A 49 11.521 2.692 1.109 1.00 0.00 N ATOM 777 CA LYS A 49 11.179 3.762 0.179 1.00 0.00 C ATOM 778 C LYS A 49 9.945 4.523 0.654 1.00 0.00 C ATOM 779 O LYS A 49 9.277 4.108 1.601 1.00 0.00 O ATOM 780 CB LYS A 49 10.933 3.192 -1.219 1.00 0.00 C ATOM 781 CG LYS A 49 12.199 2.731 -1.920 1.00 0.00 C ATOM 782 CD LYS A 49 11.954 2.467 -3.397 1.00 0.00 C ATOM 783 CE LYS A 49 11.885 3.762 -4.191 1.00 0.00 C ATOM 784 NZ LYS A 49 13.240 4.292 -4.508 1.00 0.00 N ATOM 0 H LYS A 49 10.748 2.385 1.700 1.00 0.00 H new ATOM 0 HA LYS A 49 12.019 4.456 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.243 2.351 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.445 3.951 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.974 3.489 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.570 1.823 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.752 1.839 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.023 1.914 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.336 3.591 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.328 4.507 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.149 5.175 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.755 4.479 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.763 3.592 -5.072 1.00 0.00 H new ATOM 798 N GLU A 50 9.649 5.635 -0.010 1.00 0.00 N ATOM 799 CA GLU A 50 8.494 6.452 0.345 1.00 0.00 C ATOM 800 C GLU A 50 7.559 6.621 -0.849 1.00 0.00 C ATOM 801 O GLU A 50 8.000 6.921 -1.958 1.00 0.00 O ATOM 802 CB GLU A 50 8.947 7.823 0.850 1.00 0.00 C ATOM 803 CG GLU A 50 7.975 8.465 1.825 1.00 0.00 C ATOM 804 CD GLU A 50 8.269 8.100 3.268 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.983 7.100 3.492 1.00 0.00 O ATOM 806 OE2 GLU A 50 7.786 8.814 4.171 1.00 0.00 O ATOM 0 H GLU A 50 10.192 5.991 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 50 7.951 5.941 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.918 7.720 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.085 8.488 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.016 9.548 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.960 8.157 1.576 1.00 0.00 H new ATOM 813 N ILE A 51 6.266 6.425 -0.612 1.00 0.00 N ATOM 814 CA ILE A 51 5.269 6.556 -1.667 1.00 0.00 C ATOM 815 C ILE A 51 4.267 7.658 -1.342 1.00 0.00 C ATOM 816 O ILE A 51 3.255 7.436 -0.678 1.00 0.00 O ATOM 817 CB ILE A 51 4.508 5.235 -1.889 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.482 4.118 -2.269 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.448 5.410 -2.967 1.00 0.00 C ATOM 820 CD1 ILE A 51 4.841 2.748 -2.316 1.00 0.00 C ATOM 0 H ILE A 51 5.885 6.175 0.301 1.00 0.00 H new ATOM 0 HA ILE A 51 5.807 6.814 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 51 4.011 4.958 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.916 4.341 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.302 4.102 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.919 4.468 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.741 6.180 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.925 5.707 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.590 2.005 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.432 2.504 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.039 2.747 -3.055 1.00 0.00 H new ATOM 832 N PRO A 52 4.552 8.877 -1.823 1.00 0.00 N ATOM 833 CA PRO A 52 3.687 10.039 -1.599 1.00 0.00 C ATOM 834 C PRO A 52 2.371 9.939 -2.363 1.00 0.00 C ATOM 835 O PRO A 52 2.359 9.678 -3.567 1.00 0.00 O ATOM 836 CB PRO A 52 4.522 11.210 -2.124 1.00 0.00 C ATOM 837 CG PRO A 52 5.441 10.601 -3.126 1.00 0.00 C ATOM 838 CD PRO A 52 5.741 9.215 -2.624 1.00 0.00 C ATOM 0 HA PRO A 52 3.401 10.137 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.891 11.974 -2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.077 11.692 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.977 10.567 -4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.355 11.187 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.885 8.513 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.650 9.193 -2.023 1.00 0.00 H new ATOM 846 N LEU A 53 1.265 10.147 -1.658 1.00 0.00 N ATOM 847 CA LEU A 53 -0.057 10.080 -2.270 1.00 0.00 C ATOM 848 C LEU A 53 -0.042 10.695 -3.666 1.00 0.00 C ATOM 849 O LEU A 53 -0.807 10.290 -4.542 1.00 0.00 O ATOM 850 CB LEU A 53 -1.084 10.800 -1.394 1.00 0.00 C ATOM 851 CG LEU A 53 -1.276 10.237 0.014 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.023 11.232 0.889 1.00 0.00 C ATOM 853 CD2 LEU A 53 -2.018 8.910 -0.038 1.00 0.00 C ATOM 0 H LEU A 53 1.257 10.364 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.337 9.030 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.790 11.846 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.046 10.781 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.293 10.064 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.151 10.814 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.453 12.159 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.001 11.437 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.145 8.524 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.996 9.058 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.445 8.196 -0.629 1.00 0.00 H new ATOM 865 N SER A 54 0.834 11.673 -3.867 1.00 0.00 N ATOM 866 CA SER A 54 0.948 12.345 -5.156 1.00 0.00 C ATOM 867 C SER A 54 1.536 11.409 -6.207 1.00 0.00 C ATOM 868 O SER A 54 0.933 11.177 -7.254 1.00 0.00 O ATOM 869 CB SER A 54 1.818 13.597 -5.028 1.00 0.00 C ATOM 870 OG SER A 54 1.115 14.643 -4.380 1.00 0.00 O ATOM 0 H SER A 54 1.476 12.018 -3.153 1.00 0.00 H new ATOM 0 HA SER A 54 -0.053 12.638 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.722 13.360 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.135 13.926 -6.018 1.00 0.00 H new ATOM 0 HG SER A 54 1.693 15.431 -4.309 1.00 0.00 H new ATOM 876 N GLU A 55 2.719 10.874 -5.918 1.00 0.00 N ATOM 877 CA GLU A 55 3.390 9.963 -6.839 1.00 0.00 C ATOM 878 C GLU A 55 2.378 9.081 -7.565 1.00 0.00 C ATOM 879 O GLU A 55 2.248 9.144 -8.787 1.00 0.00 O ATOM 880 CB GLU A 55 4.396 9.091 -6.085 1.00 0.00 C ATOM 881 CG GLU A 55 4.833 7.858 -6.859 1.00 0.00 C ATOM 882 CD GLU A 55 6.210 7.373 -6.453 1.00 0.00 C ATOM 883 OE1 GLU A 55 7.142 8.204 -6.405 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.358 6.162 -6.184 1.00 0.00 O ATOM 0 H GLU A 55 3.232 11.055 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 55 3.922 10.561 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.275 9.689 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.955 8.778 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.109 7.059 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.831 8.083 -7.925 1.00 0.00 H new ATOM 891 N ILE A 56 1.665 8.258 -6.802 1.00 0.00 N ATOM 892 CA ILE A 56 0.666 7.363 -7.372 1.00 0.00 C ATOM 893 C ILE A 56 -0.237 8.102 -8.355 1.00 0.00 C ATOM 894 O ILE A 56 -1.036 8.953 -7.961 1.00 0.00 O ATOM 895 CB ILE A 56 -0.205 6.720 -6.276 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.668 5.925 -5.303 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.264 5.824 -6.899 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.049 5.535 -4.029 1.00 0.00 C ATOM 0 H ILE A 56 1.761 8.193 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 56 1.209 6.579 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.708 7.511 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.024 5.023 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.547 6.517 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.871 5.377 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.901 6.416 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.780 5.036 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.630 4.974 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.382 6.433 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.913 4.916 -4.272 1.00 0.00 H new ATOM 910 N LEU A 57 -0.106 7.770 -9.634 1.00 0.00 N ATOM 911 CA LEU A 57 -0.912 8.401 -10.674 1.00 0.00 C ATOM 912 C LEU A 57 -2.354 7.908 -10.620 1.00 0.00 C ATOM 913 O LEU A 57 -3.281 8.692 -10.416 1.00 0.00 O ATOM 914 CB LEU A 57 -0.315 8.114 -12.053 1.00 0.00 C ATOM 915 CG LEU A 57 1.110 8.619 -12.286 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.743 7.903 -13.469 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.112 10.125 -12.509 1.00 0.00 C ATOM 0 H LEU A 57 0.550 7.068 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.909 9.477 -10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.328 7.036 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.964 8.558 -12.808 1.00 0.00 H new ATOM 0 HG LEU A 57 1.702 8.402 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.756 8.275 -13.620 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.776 6.832 -13.271 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.151 8.088 -14.365 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.134 10.467 -12.673 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.505 10.364 -13.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.699 10.623 -11.632 1.00 0.00 H new ATOM 929 N ARG A 58 -2.536 6.604 -10.801 1.00 0.00 N ATOM 930 CA ARG A 58 -3.865 6.006 -10.771 1.00 0.00 C ATOM 931 C ARG A 58 -3.776 4.488 -10.641 1.00 0.00 C ATOM 932 O ARG A 58 -2.684 3.926 -10.560 1.00 0.00 O ATOM 933 CB ARG A 58 -4.642 6.376 -12.036 1.00 0.00 C ATOM 934 CG ARG A 58 -4.018 5.837 -13.314 1.00 0.00 C ATOM 935 CD ARG A 58 -5.004 5.867 -14.471 1.00 0.00 C ATOM 936 NE ARG A 58 -5.453 7.223 -14.772 1.00 0.00 N ATOM 937 CZ ARG A 58 -6.286 7.518 -15.764 1.00 0.00 C ATOM 938 NH1 ARG A 58 -6.758 6.557 -16.546 1.00 0.00 N ATOM 939 NH2 ARG A 58 -6.650 8.777 -15.975 1.00 0.00 N ATOM 0 H ARG A 58 -1.779 5.941 -10.970 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.393 6.397 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.660 5.997 -11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.711 7.462 -12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.139 6.429 -13.568 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.678 4.814 -13.151 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.537 5.435 -15.356 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.866 5.245 -14.229 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.108 7.986 -14.189 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.482 5.588 -16.387 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.397 6.787 -17.307 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.290 9.519 -15.375 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.290 9.002 -16.737 1.00 0.00 H new ATOM 953 N ILE A 59 -4.931 3.833 -10.622 1.00 0.00 N ATOM 954 CA ILE A 59 -4.983 2.381 -10.502 1.00 0.00 C ATOM 955 C ILE A 59 -5.468 1.740 -11.798 1.00 0.00 C ATOM 956 O ILE A 59 -6.341 2.277 -12.480 1.00 0.00 O ATOM 957 CB ILE A 59 -5.906 1.944 -9.349 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.562 2.713 -8.072 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.791 0.444 -9.118 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.246 2.298 -7.453 1.00 0.00 C ATOM 0 H ILE A 59 -5.843 4.284 -10.688 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.968 2.045 -10.291 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.936 2.172 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.528 3.779 -8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.359 2.566 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.449 0.150 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.080 -0.087 -10.025 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.761 0.193 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.067 2.884 -6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.283 1.239 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.439 2.471 -8.165 1.00 0.00 H new ATOM 972 N SER A 60 -4.898 0.586 -12.131 1.00 0.00 N ATOM 973 CA SER A 60 -5.270 -0.129 -13.346 1.00 0.00 C ATOM 974 C SER A 60 -5.827 -1.510 -13.015 1.00 0.00 C ATOM 975 O SER A 60 -5.252 -2.247 -12.214 1.00 0.00 O ATOM 976 CB SER A 60 -4.062 -0.262 -14.275 1.00 0.00 C ATOM 977 OG SER A 60 -4.430 -0.854 -15.509 1.00 0.00 O ATOM 0 H SER A 60 -4.176 0.126 -11.576 1.00 0.00 H new ATOM 0 HA SER A 60 -6.047 0.444 -13.852 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.628 0.721 -14.455 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.293 -0.866 -13.793 1.00 0.00 H new ATOM 0 HG SER A 60 -3.641 -0.926 -16.085 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.832 -10.698 -8.498 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.668 -9.490 -7.697 1.00 0.00 C ATOM 1187 C HIS A 75 -5.012 -8.810 -7.459 1.00 0.00 C ATOM 1188 O HIS A 75 -6.050 -9.286 -7.919 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.707 -8.522 -8.387 1.00 0.00 C ATOM 1190 CG HIS A 75 -3.364 -7.661 -9.421 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -4.235 -8.156 -10.369 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.276 -6.331 -9.653 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -4.652 -7.168 -11.140 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -4.085 -6.049 -10.726 1.00 0.00 N ATOM 0 HA HIS A 75 -3.251 -9.777 -6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.245 -7.883 -7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.905 -9.092 -8.857 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -4.514 -9.133 -10.460 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.680 -5.622 -9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.339 -7.259 -11.968 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.985 -7.695 -6.737 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.203 -6.949 -6.437 1.00 0.00 C ATOM 1205 C CYS A 76 -6.200 -5.597 -7.142 1.00 0.00 C ATOM 1206 O CYS A 76 -7.215 -5.171 -7.694 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.344 -6.750 -4.927 1.00 0.00 C ATOM 1208 SG CYS A 76 -7.759 -5.732 -4.446 1.00 0.00 S ATOM 0 H CYS A 76 -4.134 -7.288 -6.349 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.053 -7.526 -6.801 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.433 -7.726 -4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.433 -6.290 -4.545 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.703 -4.590 -5.065 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.053 -4.926 -7.120 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.919 -3.620 -7.755 1.00 0.00 C ATOM 1216 C PHE A 77 -3.468 -3.350 -8.142 1.00 0.00 C ATOM 1217 O PHE A 77 -2.549 -3.980 -7.620 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.423 -2.520 -6.819 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.598 -2.369 -5.572 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.821 -3.186 -4.476 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.600 -1.411 -5.497 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.064 -3.051 -3.327 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.840 -1.271 -4.351 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.073 -2.091 -3.265 1.00 0.00 C ATOM 0 H PHE A 77 -4.203 -5.265 -6.669 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.524 -3.621 -8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.431 -1.572 -7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.454 -2.736 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.595 -3.937 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.414 -0.766 -6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.247 -3.695 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.065 -0.521 -4.305 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.481 -1.982 -2.368 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.272 -2.409 -9.060 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.933 -2.057 -9.518 1.00 0.00 C ATOM 1236 C GLU A 78 -1.628 -0.589 -9.231 1.00 0.00 C ATOM 1237 O GLU A 78 -2.404 0.298 -9.588 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.792 -2.335 -11.016 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.618 -3.807 -11.348 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.642 -4.076 -12.840 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.842 -3.452 -13.568 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.462 -4.908 -13.280 1.00 0.00 O ATOM 0 H GLU A 78 -4.022 -1.877 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.217 -2.672 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.675 -1.957 -11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.936 -1.781 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.673 -4.160 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.410 -4.380 -10.867 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.495 -0.342 -8.583 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.088 1.017 -8.249 1.00 0.00 C ATOM 1251 C ILE A 79 0.841 1.591 -9.313 1.00 0.00 C ATOM 1252 O ILE A 79 2.054 1.380 -9.272 1.00 0.00 O ATOM 1253 CB ILE A 79 0.620 1.073 -6.882 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.290 0.510 -5.789 1.00 0.00 C ATOM 1255 CG2 ILE A 79 1.029 2.501 -6.555 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.330 0.544 -4.409 1.00 0.00 C ATOM 0 H ILE A 79 0.157 -1.065 -8.279 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.998 1.616 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 79 1.520 0.461 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.221 1.077 -5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.548 -0.519 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.528 2.524 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.710 2.869 -7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.143 3.135 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.371 0.130 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.246 -0.047 -4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.563 1.574 -4.140 1.00 0.00 H new ATOM 1268 N ILE A 80 0.265 2.317 -10.265 1.00 0.00 N ATOM 1269 CA ILE A 80 1.042 2.923 -11.339 1.00 0.00 C ATOM 1270 C ILE A 80 1.649 4.250 -10.896 1.00 0.00 C ATOM 1271 O ILE A 80 0.984 5.287 -10.913 1.00 0.00 O ATOM 1272 CB ILE A 80 0.180 3.159 -12.593 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.385 1.833 -13.107 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.997 3.848 -13.676 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.659 1.409 -12.411 1.00 0.00 C ATOM 0 H ILE A 80 -0.737 2.500 -10.314 1.00 0.00 H new ATOM 0 HA ILE A 80 1.841 2.224 -11.584 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.654 3.809 -12.326 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.576 1.919 -14.177 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.366 1.053 -12.979 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.374 4.008 -14.556 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.355 4.809 -13.306 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.848 3.222 -13.943 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.002 0.461 -12.826 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.469 1.290 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.426 2.169 -12.560 1.00 0.00 H new ATOM 1287 N THR A 81 2.918 4.212 -10.502 1.00 0.00 N ATOM 1288 CA THR A 81 3.616 5.411 -10.056 1.00 0.00 C ATOM 1289 C THR A 81 4.481 5.990 -11.170 1.00 0.00 C ATOM 1290 O THR A 81 4.729 5.334 -12.182 1.00 0.00 O ATOM 1291 CB THR A 81 4.504 5.120 -8.831 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.570 4.237 -9.197 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.689 4.501 -7.707 1.00 0.00 C ATOM 0 H THR A 81 3.483 3.363 -10.483 1.00 0.00 H new ATOM 0 HA THR A 81 2.852 6.137 -9.778 1.00 0.00 H new ATOM 0 HB THR A 81 4.920 6.064 -8.479 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.202 3.454 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.337 4.304 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.897 5.189 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.248 3.565 -8.050 1.00 0.00 H new ATOM 1301 N ASP A 82 4.937 7.223 -10.978 1.00 0.00 N ATOM 1302 CA ASP A 82 5.776 7.891 -11.966 1.00 0.00 C ATOM 1303 C ASP A 82 7.050 7.093 -12.225 1.00 0.00 C ATOM 1304 O ASP A 82 7.559 7.060 -13.346 1.00 0.00 O ATOM 1305 CB ASP A 82 6.129 9.303 -11.496 1.00 0.00 C ATOM 1306 CG ASP A 82 5.117 10.335 -11.952 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.725 10.299 -13.137 1.00 0.00 O ATOM 1308 OD2 ASP A 82 4.716 11.178 -11.122 1.00 0.00 O ATOM 0 H ASP A 82 4.740 7.780 -10.147 1.00 0.00 H new ATOM 0 HA ASP A 82 5.215 7.957 -12.898 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.191 9.316 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.115 9.573 -11.875 1.00 0.00 H new ATOM 1313 N THR A 83 7.563 6.451 -11.180 1.00 0.00 N ATOM 1314 CA THR A 83 8.779 5.656 -11.293 1.00 0.00 C ATOM 1315 C THR A 83 8.525 4.370 -12.071 1.00 0.00 C ATOM 1316 O THR A 83 8.962 4.227 -13.213 1.00 0.00 O ATOM 1317 CB THR A 83 9.349 5.300 -9.907 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.316 4.755 -9.078 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.949 6.527 -9.237 1.00 0.00 C ATOM 0 H THR A 83 7.155 6.466 -10.245 1.00 0.00 H new ATOM 0 HA THR A 83 9.506 6.265 -11.831 1.00 0.00 H new ATOM 0 HB THR A 83 10.136 4.558 -10.042 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.580 4.826 -8.137 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.345 6.251 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.754 6.923 -9.856 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.178 7.288 -9.114 1.00 0.00 H new ATOM 1327 N MET A 84 7.814 3.437 -11.446 1.00 0.00 N ATOM 1328 CA MET A 84 7.500 2.163 -12.082 1.00 0.00 C ATOM 1329 C MET A 84 6.149 1.636 -11.607 1.00 0.00 C ATOM 1330 O MET A 84 5.564 2.164 -10.661 1.00 0.00 O ATOM 1331 CB MET A 84 8.594 1.136 -11.784 1.00 0.00 C ATOM 1332 CG MET A 84 9.717 1.129 -12.809 1.00 0.00 C ATOM 1333 SD MET A 84 11.006 -0.070 -12.419 1.00 0.00 S ATOM 1334 CE MET A 84 10.071 -1.597 -12.460 1.00 0.00 C ATOM 0 H MET A 84 7.445 3.539 -10.501 1.00 0.00 H new ATOM 0 HA MET A 84 7.448 2.326 -13.158 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.014 1.340 -10.799 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.147 0.143 -11.741 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.304 0.906 -13.793 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.157 2.124 -12.866 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.754 -2.444 -12.397 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.381 -1.624 -11.617 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.508 -1.654 -13.391 1.00 0.00 H new ATOM 1344 N VAL A 85 5.659 0.594 -12.270 1.00 0.00 N ATOM 1345 CA VAL A 85 4.378 -0.004 -11.914 1.00 0.00 C ATOM 1346 C VAL A 85 4.555 -1.107 -10.876 1.00 0.00 C ATOM 1347 O VAL A 85 5.405 -1.984 -11.026 1.00 0.00 O ATOM 1348 CB VAL A 85 3.668 -0.588 -13.150 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.317 -1.170 -12.765 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.512 0.477 -14.226 1.00 0.00 C ATOM 0 H VAL A 85 6.130 0.146 -13.057 1.00 0.00 H new ATOM 0 HA VAL A 85 3.764 0.792 -11.493 1.00 0.00 H new ATOM 0 HB VAL A 85 4.281 -1.394 -13.553 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.831 -1.578 -13.651 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.458 -1.964 -12.031 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.692 -0.387 -12.336 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.009 0.048 -15.092 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.920 1.305 -13.835 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.495 0.842 -14.522 1.00 0.00 H new ATOM 1360 N TYR A 86 3.746 -1.056 -9.823 1.00 0.00 N ATOM 1361 CA TYR A 86 3.815 -2.049 -8.758 1.00 0.00 C ATOM 1362 C TYR A 86 2.540 -2.887 -8.712 1.00 0.00 C ATOM 1363 O TYR A 86 1.451 -2.399 -9.014 1.00 0.00 O ATOM 1364 CB TYR A 86 4.039 -1.366 -7.408 1.00 0.00 C ATOM 1365 CG TYR A 86 5.245 -0.455 -7.383 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.532 -0.972 -7.475 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.099 0.921 -7.268 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.637 -0.144 -7.452 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.198 1.757 -7.245 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.466 1.220 -7.337 1.00 0.00 C ATOM 1371 OH TYR A 86 8.564 2.049 -7.314 1.00 0.00 O ATOM 0 H TYR A 86 3.035 -0.338 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 86 4.656 -2.710 -8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.152 -0.787 -7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.155 -2.130 -6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.670 -2.039 -7.566 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.108 1.345 -7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.630 -0.562 -7.524 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.066 2.825 -7.156 1.00 0.00 H new ATOM 0 HH TYR A 86 8.387 2.842 -7.862 1.00 0.00 H new ATOM 1381 N PHE A 87 2.685 -4.152 -8.331 1.00 0.00 N ATOM 1382 CA PHE A 87 1.547 -5.059 -8.245 1.00 0.00 C ATOM 1383 C PHE A 87 1.360 -5.563 -6.817 1.00 0.00 C ATOM 1384 O PHE A 87 2.164 -6.348 -6.313 1.00 0.00 O ATOM 1385 CB PHE A 87 1.738 -6.243 -9.195 1.00 0.00 C ATOM 1386 CG PHE A 87 1.807 -5.846 -10.641 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.917 -5.183 -11.139 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.762 -6.137 -11.504 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.982 -4.816 -12.470 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.822 -5.772 -12.836 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.934 -5.112 -13.320 1.00 0.00 C ATOM 0 H PHE A 87 3.579 -4.572 -8.077 1.00 0.00 H new ATOM 0 HA PHE A 87 0.653 -4.509 -8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.654 -6.769 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.915 -6.945 -9.058 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.740 -4.950 -10.480 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.109 -6.655 -11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.852 -4.298 -12.845 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.000 -6.003 -13.497 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.984 -4.828 -14.361 1.00 0.00 H new ATOM 1401 N VAL A 88 0.293 -5.106 -6.169 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.001 -5.510 -4.799 1.00 0.00 C ATOM 1403 C VAL A 88 -1.298 -6.308 -4.728 1.00 0.00 C ATOM 1404 O VAL A 88 -2.242 -6.047 -5.472 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.110 -4.290 -3.865 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.218 -4.736 -2.415 1.00 0.00 C ATOM 1407 CG2 VAL A 88 1.080 -3.363 -4.060 1.00 0.00 C ATOM 0 H VAL A 88 -0.382 -4.456 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 88 0.827 -6.138 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.016 -3.739 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.294 -3.861 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.105 -5.357 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.668 -5.310 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.987 -2.506 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.001 -3.901 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.106 -3.017 -5.093 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.337 -7.284 -3.825 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.523 -8.106 -3.672 1.00 0.00 C ATOM 1419 C GLY A 89 -2.286 -9.548 -4.075 1.00 0.00 C ATOM 1420 O GLY A 89 -1.742 -9.818 -5.145 1.00 0.00 O ATOM 0 H GLY A 89 -0.568 -7.520 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.853 -8.072 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.329 -7.691 -4.277 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.693 -10.476 -3.215 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.518 -11.898 -3.486 1.00 0.00 C ATOM 1426 C GLU A 90 -3.713 -12.700 -2.980 1.00 0.00 C ATOM 1427 O GLU A 90 -3.911 -12.843 -1.774 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.232 -12.410 -2.833 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.106 -13.924 -2.844 1.00 0.00 C ATOM 1430 CD GLU A 90 0.320 -14.392 -2.623 1.00 0.00 C ATOM 1431 OE1 GLU A 90 1.096 -14.413 -3.600 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.658 -14.737 -1.471 1.00 0.00 O ATOM 0 H GLU A 90 -3.146 -10.269 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.446 -12.029 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.375 -11.979 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.193 -12.058 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.747 -14.344 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.467 -14.308 -3.798 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.507 -13.219 -3.910 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.684 -14.006 -3.559 1.00 0.00 C ATOM 1441 C ASN A 91 -5.359 -15.496 -3.548 1.00 0.00 C ATOM 1442 O ASN A 91 -4.621 -15.987 -4.401 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.821 -13.728 -4.544 1.00 0.00 C ATOM 1444 CG ASN A 91 -8.135 -14.338 -4.097 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -8.447 -15.481 -4.429 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.914 -13.575 -3.338 1.00 0.00 N ATOM 0 H ASN A 91 -4.357 -13.109 -4.913 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.000 -13.714 -2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.944 -12.651 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.554 -14.124 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.810 -13.932 -3.007 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.616 -12.633 -3.087 1.00 0.00 H new ATOM 1646 N GLY A 107 -5.601 -12.082 0.975 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.759 -12.365 0.148 1.00 0.00 C ATOM 1648 C GLY A 107 -7.273 -11.135 -0.573 1.00 0.00 C ATOM 1649 O GLY A 107 -6.562 -10.136 -0.696 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.500 -13.130 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.554 -12.776 0.770 1.00 0.00 H new ATOM 1653 N LEU A 108 -8.510 -11.205 -1.051 1.00 0.00 N ATOM 1654 CA LEU A 108 -9.118 -10.088 -1.765 1.00 0.00 C ATOM 1655 C LEU A 108 -9.794 -9.124 -0.795 1.00 0.00 C ATOM 1656 O LEU A 108 -9.795 -7.912 -1.007 1.00 0.00 O ATOM 1657 CB LEU A 108 -10.137 -10.602 -2.784 1.00 0.00 C ATOM 1658 CG LEU A 108 -11.020 -9.542 -3.444 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -10.292 -8.890 -4.608 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -12.332 -10.156 -3.910 1.00 0.00 C ATOM 0 H LEU A 108 -9.112 -12.023 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.327 -9.551 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.600 -11.137 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.783 -11.327 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.244 -8.772 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.936 -8.139 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.380 -8.415 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.037 -9.648 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.948 -9.387 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.128 -10.946 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.862 -10.575 -3.054 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.367 -9.672 0.271 1.00 0.00 N ATOM 1673 CA ASP A 109 -11.043 -8.861 1.277 1.00 0.00 C ATOM 1674 C ASP A 109 -10.096 -7.819 1.862 1.00 0.00 C ATOM 1675 O ASP A 109 -10.347 -6.617 1.775 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.596 -9.750 2.393 1.00 0.00 C ATOM 1677 CG ASP A 109 -10.760 -10.996 2.607 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -9.652 -10.878 3.171 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.213 -12.090 2.209 1.00 0.00 O ATOM 0 H ASP A 109 -10.377 -10.674 0.461 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.870 -8.342 0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.638 -9.180 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.619 -10.039 2.150 1.00 0.00 H new ATOM 1684 N VAL A 110 -9.005 -8.287 2.460 1.00 0.00 N ATOM 1685 CA VAL A 110 -8.019 -7.396 3.060 1.00 0.00 C ATOM 1686 C VAL A 110 -7.551 -6.344 2.062 1.00 0.00 C ATOM 1687 O VAL A 110 -7.434 -5.165 2.396 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.797 -8.178 3.577 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -6.098 -8.895 2.432 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.836 -7.246 4.300 1.00 0.00 C ATOM 0 H VAL A 110 -8.782 -9.279 2.542 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.507 -6.903 3.901 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.142 -8.930 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.237 -9.442 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.791 -9.593 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.764 -8.165 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.978 -7.815 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.496 -6.471 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.345 -6.784 5.146 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.283 -6.778 0.835 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.830 -5.872 -0.214 1.00 0.00 C ATOM 1702 C ALA A 111 -7.818 -4.728 -0.417 1.00 0.00 C ATOM 1703 O ALA A 111 -7.437 -3.558 -0.404 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.625 -6.632 -1.516 1.00 0.00 C ATOM 0 H ALA A 111 -7.372 -7.751 0.543 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.878 -5.443 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.287 -5.943 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.875 -7.409 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.566 -7.089 -1.823 1.00 0.00 H new ATOM 1710 N GLN A 112 -9.087 -5.075 -0.604 1.00 0.00 N ATOM 1711 CA GLN A 112 -10.129 -4.076 -0.811 1.00 0.00 C ATOM 1712 C GLN A 112 -9.924 -2.877 0.109 1.00 0.00 C ATOM 1713 O GLN A 112 -10.076 -1.729 -0.308 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.509 -4.690 -0.569 1.00 0.00 C ATOM 1715 CG GLN A 112 -12.127 -5.307 -1.814 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.450 -5.989 -1.531 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -14.444 -5.335 -1.214 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.471 -7.312 -1.645 1.00 0.00 N ATOM 0 H GLN A 112 -9.418 -6.040 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.068 -3.733 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.427 -5.455 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.178 -3.920 -0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.276 -4.530 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.432 -6.032 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.624 -7.815 -1.910 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.334 -7.826 -1.467 1.00 0.00 H new ATOM 1727 N SER A 113 -9.579 -3.152 1.363 1.00 0.00 N ATOM 1728 CA SER A 113 -9.357 -2.096 2.344 1.00 0.00 C ATOM 1729 C SER A 113 -8.178 -1.217 1.939 1.00 0.00 C ATOM 1730 O SER A 113 -8.291 0.008 1.893 1.00 0.00 O ATOM 1731 CB SER A 113 -9.106 -2.700 3.727 1.00 0.00 C ATOM 1732 OG SER A 113 -10.301 -3.223 4.280 1.00 0.00 O ATOM 0 H SER A 113 -9.447 -4.097 1.724 1.00 0.00 H new ATOM 0 HA SER A 113 -10.253 -1.476 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.360 -3.491 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.697 -1.938 4.391 1.00 0.00 H new ATOM 0 HG SER A 113 -10.113 -3.605 5.163 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.049 -1.851 1.646 1.00 0.00 N ATOM 1739 CA TRP A 114 -5.848 -1.127 1.244 1.00 0.00 C ATOM 1740 C TRP A 114 -6.098 -0.320 -0.025 1.00 0.00 C ATOM 1741 O TRP A 114 -5.797 0.872 -0.082 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.690 -2.102 1.024 1.00 0.00 C ATOM 1743 CG TRP A 114 -3.966 -2.459 2.287 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.159 -3.570 3.056 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -2.934 -1.700 2.927 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.311 -3.548 4.137 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.548 -2.412 4.080 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.298 -0.490 2.638 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.556 -1.951 4.941 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.314 -0.034 3.494 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -0.950 -0.763 4.634 1.00 0.00 C ATOM 0 H TRP A 114 -6.939 -2.865 1.679 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.585 -0.436 2.045 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.074 -3.013 0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.983 -1.663 0.320 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.874 -4.352 2.846 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.258 -4.262 4.864 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.571 0.079 1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.275 -2.511 5.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.817 0.901 3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.176 -0.380 5.283 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.649 -0.978 -1.041 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.938 -0.319 -2.309 1.00 0.00 C ATOM 1764 C GLU A 115 -7.880 0.864 -2.106 1.00 0.00 C ATOM 1765 O GLU A 115 -7.613 1.972 -2.571 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.555 -1.313 -3.296 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.723 -0.753 -4.698 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.513 -1.678 -5.605 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -8.449 -2.907 -5.397 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -9.193 -1.172 -6.522 1.00 0.00 O ATOM 0 H GLU A 115 -6.904 -1.965 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.999 0.053 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.928 -2.203 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.529 -1.628 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.227 0.212 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.740 -0.575 -5.134 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.985 0.620 -1.409 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.968 1.663 -1.142 1.00 0.00 C ATOM 1779 C LYS A 116 -9.337 2.823 -0.378 1.00 0.00 C ATOM 1780 O LYS A 116 -9.582 3.989 -0.688 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.143 1.093 -0.345 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.130 0.309 -1.193 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.486 0.202 -0.515 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.486 -0.546 -1.383 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.204 -2.008 -1.419 1.00 0.00 N ATOM 0 H LYS A 116 -9.222 -0.292 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.333 2.037 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.757 0.444 0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.669 1.912 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.244 0.794 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.736 -0.690 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.377 -0.311 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.866 1.201 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.494 -0.380 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.458 -0.146 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.917 -2.485 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.259 -2.169 -1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.239 -2.392 -0.453 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.522 2.495 0.619 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.853 3.510 1.424 1.00 0.00 C ATOM 1801 C ALA A 117 -6.884 4.330 0.579 1.00 0.00 C ATOM 1802 O ALA A 117 -6.969 5.558 0.538 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.121 2.861 2.589 1.00 0.00 C ATOM 0 H ALA A 117 -8.309 1.535 0.889 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.613 4.186 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.626 3.630 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.835 2.325 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.377 2.162 2.207 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.966 3.645 -0.093 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.982 4.311 -0.937 1.00 0.00 C ATOM 1811 C ILE A 118 -5.659 5.118 -2.039 1.00 0.00 C ATOM 1812 O ILE A 118 -5.256 6.243 -2.337 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.013 3.300 -1.578 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.216 2.567 -0.496 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.076 4.005 -2.547 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.556 1.298 -0.987 1.00 0.00 C ATOM 0 H ILE A 118 -5.883 2.629 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.417 4.984 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.595 2.565 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.451 3.237 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.882 2.324 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.397 3.277 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.659 4.485 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.499 4.759 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.009 0.832 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.318 0.610 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.865 1.537 -1.795 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.692 4.537 -2.641 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.426 5.202 -3.710 1.00 0.00 C ATOM 1830 C ARG A 119 -8.178 6.419 -3.178 1.00 0.00 C ATOM 1831 O ARG A 119 -8.143 7.493 -3.778 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.408 4.229 -4.365 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.834 4.644 -5.764 1.00 0.00 C ATOM 1834 CD ARG A 119 -10.073 5.524 -5.731 1.00 0.00 C ATOM 1835 NE ARG A 119 -11.303 4.737 -5.691 1.00 0.00 N ATOM 1836 CZ ARG A 119 -12.484 5.200 -6.085 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -12.595 6.437 -6.548 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -13.558 4.423 -6.018 1.00 0.00 N ATOM 0 H ARG A 119 -7.039 3.607 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.706 5.539 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.951 3.241 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.294 4.141 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.019 5.180 -6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.033 3.756 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.031 6.176 -4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.083 6.168 -6.610 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.252 3.780 -5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.772 7.037 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.504 6.789 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.477 3.470 -5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.465 4.779 -6.321 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.858 6.241 -2.050 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.619 7.324 -1.438 1.00 0.00 C ATOM 1854 C GLN A 120 -8.718 8.513 -1.124 1.00 0.00 C ATOM 1855 O GLN A 120 -9.025 9.649 -1.485 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.303 6.836 -0.160 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.437 7.736 0.305 1.00 0.00 C ATOM 1858 CD GLN A 120 -10.941 9.000 0.978 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -9.943 8.982 1.699 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.637 10.107 0.746 1.00 0.00 N ATOM 0 H GLN A 120 -8.898 5.358 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.380 7.646 -2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.692 5.832 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.560 6.762 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -12.057 8.004 -0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -12.072 7.185 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -12.458 10.076 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.351 10.988 1.172 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.604 8.244 -0.450 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.657 9.292 -0.090 1.00 0.00 C ATOM 1871 C ALA A 121 -6.418 10.242 -1.258 1.00 0.00 C ATOM 1872 O ALA A 121 -6.328 11.456 -1.076 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.344 8.680 0.373 1.00 0.00 C ATOM 0 H ALA A 121 -7.336 7.309 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.086 9.868 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.646 9.474 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.524 8.049 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.920 8.078 -0.431 1.00 0.00 H new ATOM 1879 N LEU A 122 -6.315 9.681 -2.458 1.00 0.00 N ATOM 1880 CA LEU A 122 -6.085 10.479 -3.658 1.00 0.00 C ATOM 1881 C LEU A 122 -7.227 11.464 -3.884 1.00 0.00 C ATOM 1882 O LEU A 122 -7.008 12.670 -3.989 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.933 9.568 -4.878 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.932 8.421 -4.739 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.135 7.398 -5.845 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.506 8.952 -4.756 1.00 0.00 C ATOM 0 H LEU A 122 -6.387 8.678 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.164 11.045 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.909 9.145 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.637 10.181 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.104 7.929 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.413 6.589 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.146 6.994 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.992 7.876 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.807 8.121 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.322 9.470 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.366 9.646 -3.927 1.00 0.00 H new