USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 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 70 ASN : amide:sc= 0.978 K(o=1.8,f=-3!) USER MOD Set 1.2: A 72 THR OG1 : rot -76:sc= 0.852 USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0.109 USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.33 USER MOD Set 3.2: A 34 THR OG1 : rot -94:sc= 0.236 USER MOD Single : A 13 GLN : amide:sc= -3.1 K(o=-3.1,f=-4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0614) USER MOD Single : A 17 GLN : amide:sc=-0.00356 X(o=-0.0036,f=0) USER MOD Single : A 18 THR OG1 : rot 170:sc= -1.12 USER MOD Single : A 22 THR OG1 : rot -73:sc= 0.429 USER MOD Single : A 28 THR OG1 : rot -7:sc= 0.686 USER MOD Single : A 33 HIS : no HE2:sc= 0.345 K(o=0.35,f=-1.2) USER MOD Single : A 38 SER OG : rot 180:sc= -0.462 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 134:sc= -0.228 (180deg=-0.857) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc=-0.00891 (180deg=-0.0898) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 86:sc= 0.243 USER MOD Single : A 58 THR OG1 : rot -150:sc= 0.305 USER MOD Single : A 65 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 140:sc= 0.148 (180deg=0) USER MOD Single : A 78 SER OG : rot -160:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.295 F(o=-2.8!,f=-0.3) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 100 THR OG1 : rot -28:sc= 0.271 USER MOD Single : A 106 CYS SG : rot -118:sc= -6.82! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.372 -15.164 7.569 1.00 0.00 N ATOM 85 CA LEU A 6 11.172 -14.552 6.245 1.00 0.00 C ATOM 86 C LEU A 6 12.322 -14.954 5.300 1.00 0.00 C ATOM 87 O LEU A 6 13.333 -15.507 5.749 1.00 0.00 O ATOM 88 CB LEU A 6 11.081 -12.996 6.371 1.00 0.00 C ATOM 89 CG LEU A 6 9.950 -12.401 7.289 1.00 0.00 C ATOM 90 CD1 LEU A 6 8.585 -13.056 7.019 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.321 -12.457 8.784 1.00 0.00 C ATOM 0 HA LEU A 6 10.233 -14.915 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.040 -12.633 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.951 -12.586 5.370 1.00 0.00 H new ATOM 0 HG LEU A 6 9.860 -11.347 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.834 -12.615 7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.301 -12.891 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.651 -14.127 7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.509 -12.035 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.485 -13.493 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.231 -11.882 8.955 1.00 0.00 H new ATOM 103 N ARG A 7 12.164 -14.660 3.996 1.00 0.00 N ATOM 104 CA ARG A 7 13.149 -15.043 2.949 1.00 0.00 C ATOM 105 C ARG A 7 13.426 -13.894 1.950 1.00 0.00 C ATOM 106 O ARG A 7 14.532 -13.788 1.406 1.00 0.00 O ATOM 107 CB ARG A 7 12.653 -16.303 2.186 1.00 0.00 C ATOM 108 CG ARG A 7 11.242 -16.178 1.565 1.00 0.00 C ATOM 109 CD ARG A 7 10.864 -17.387 0.689 1.00 0.00 C ATOM 110 NE ARG A 7 11.040 -18.668 1.412 1.00 0.00 N ATOM 111 CZ ARG A 7 10.060 -19.473 1.860 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.780 -19.142 1.724 1.00 0.00 N ATOM 113 NH2 ARG A 7 10.375 -20.607 2.465 1.00 0.00 N ATOM 0 H ARG A 7 11.357 -14.153 3.633 1.00 0.00 H new ATOM 0 HA ARG A 7 14.088 -15.265 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.364 -16.532 1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.658 -17.150 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.507 -16.070 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.194 -15.270 0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.827 -17.292 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.479 -17.390 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 7 11.999 -18.969 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.526 -18.263 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.052 -19.767 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.354 -20.864 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.639 -21.224 2.808 1.00 0.00 H new ATOM 127 N ASP A 8 12.426 -13.032 1.752 1.00 0.00 N ATOM 128 CA ASP A 8 12.409 -11.954 0.735 1.00 0.00 C ATOM 129 C ASP A 8 12.583 -10.576 1.408 1.00 0.00 C ATOM 130 O ASP A 8 12.870 -10.496 2.608 1.00 0.00 O ATOM 131 CB ASP A 8 11.056 -11.983 -0.039 1.00 0.00 C ATOM 132 CG ASP A 8 10.801 -13.293 -0.797 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.709 -13.753 -1.528 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.697 -13.878 -0.664 1.00 0.00 O ATOM 0 H ASP A 8 11.572 -13.058 2.309 1.00 0.00 H new ATOM 0 HA ASP A 8 13.234 -12.117 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.242 -11.818 0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.036 -11.155 -0.748 1.00 0.00 H new ATOM 139 N ARG A 9 12.402 -9.499 0.612 1.00 0.00 N ATOM 140 CA ARG A 9 12.426 -8.093 1.088 1.00 0.00 C ATOM 141 C ARG A 9 11.339 -7.296 0.348 1.00 0.00 C ATOM 142 O ARG A 9 11.065 -7.569 -0.833 1.00 0.00 O ATOM 143 CB ARG A 9 13.798 -7.405 0.817 1.00 0.00 C ATOM 144 CG ARG A 9 15.033 -8.163 1.342 1.00 0.00 C ATOM 145 CD ARG A 9 16.357 -7.481 0.950 1.00 0.00 C ATOM 146 NE ARG A 9 17.533 -8.359 1.154 1.00 0.00 N ATOM 147 CZ ARG A 9 18.777 -7.939 1.449 1.00 0.00 C ATOM 148 NH1 ARG A 9 19.013 -6.667 1.748 1.00 0.00 N ATOM 149 NH2 ARG A 9 19.768 -8.824 1.499 1.00 0.00 N ATOM 0 H ARG A 9 12.233 -9.580 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 9 12.253 -8.107 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.909 -7.265 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.783 -6.413 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.975 -8.238 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.023 -9.181 0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.310 -7.180 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.481 -6.572 1.538 1.00 0.00 H new ATOM 0 HE ARG A 9 17.388 -9.365 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.246 -5.994 1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.961 -6.363 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.581 -9.810 1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.715 -8.517 1.722 1.00 0.00 H new ATOM 163 N ILE A 10 10.739 -6.300 1.025 1.00 0.00 N ATOM 164 CA ILE A 10 9.779 -5.357 0.402 1.00 0.00 C ATOM 165 C ILE A 10 10.087 -3.929 0.856 1.00 0.00 C ATOM 166 O ILE A 10 10.660 -3.731 1.928 1.00 0.00 O ATOM 167 CB ILE A 10 8.257 -5.679 0.705 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.779 -5.254 2.145 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.916 -7.155 0.420 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.526 -5.855 3.317 1.00 0.00 C ATOM 0 H ILE A 10 10.902 -6.123 2.016 1.00 0.00 H new ATOM 0 HA ILE A 10 9.911 -5.469 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 10 7.695 -5.054 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.847 -4.169 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.725 -5.515 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.864 -7.334 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.110 -7.377 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.533 -7.799 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.100 -5.483 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.438 -6.941 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.578 -5.574 3.261 1.00 0.00 H new ATOM 182 N THR A 11 9.682 -2.947 0.043 1.00 0.00 N ATOM 183 CA THR A 11 9.859 -1.532 0.345 1.00 0.00 C ATOM 184 C THR A 11 8.486 -0.876 0.570 1.00 0.00 C ATOM 185 O THR A 11 7.604 -0.989 -0.272 1.00 0.00 O ATOM 186 CB THR A 11 10.627 -0.811 -0.796 1.00 0.00 C ATOM 187 OG1 THR A 11 11.803 -1.572 -1.110 1.00 0.00 O ATOM 188 CG2 THR A 11 11.038 0.611 -0.372 1.00 0.00 C ATOM 0 H THR A 11 9.219 -3.119 -0.849 1.00 0.00 H new ATOM 0 HA THR A 11 10.453 -1.441 1.254 1.00 0.00 H new ATOM 0 HB THR A 11 9.976 -0.733 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.297 -1.128 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.574 1.094 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.147 1.190 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.684 0.557 0.504 1.00 0.00 H new ATOM 196 N ILE A 12 8.333 -0.234 1.733 1.00 0.00 N ATOM 197 CA ILE A 12 7.110 0.470 2.144 1.00 0.00 C ATOM 198 C ILE A 12 7.068 1.883 1.535 1.00 0.00 C ATOM 199 O ILE A 12 7.858 2.751 1.911 1.00 0.00 O ATOM 200 CB ILE A 12 7.026 0.540 3.720 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.101 -0.896 4.338 1.00 0.00 C ATOM 202 CG2 ILE A 12 5.765 1.304 4.214 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.036 -1.871 3.857 1.00 0.00 C ATOM 0 H ILE A 12 9.073 -0.187 2.433 1.00 0.00 H new ATOM 0 HA ILE A 12 6.248 -0.085 1.774 1.00 0.00 H new ATOM 0 HB ILE A 12 7.888 1.111 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.082 -1.317 4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.028 -0.811 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.755 1.323 5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.786 2.325 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.869 0.800 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.178 -2.835 4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.048 -1.481 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.118 -1.996 2.777 1.00 0.00 H new ATOM 215 N GLN A 13 6.164 2.085 0.557 1.00 0.00 N ATOM 216 CA GLN A 13 5.873 3.409 -0.017 1.00 0.00 C ATOM 217 C GLN A 13 4.922 4.149 0.906 1.00 0.00 C ATOM 218 O GLN A 13 3.707 3.931 0.906 1.00 0.00 O ATOM 219 CB GLN A 13 5.300 3.330 -1.469 1.00 0.00 C ATOM 220 CG GLN A 13 6.329 2.867 -2.518 1.00 0.00 C ATOM 221 CD GLN A 13 6.761 1.412 -2.344 1.00 0.00 C ATOM 222 OE1 GLN A 13 5.949 0.551 -1.990 1.00 0.00 O ATOM 223 NE2 GLN A 13 8.047 1.138 -2.512 1.00 0.00 N ATOM 0 H GLN A 13 5.615 1.332 0.143 1.00 0.00 H new ATOM 0 HA GLN A 13 6.813 3.955 -0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.452 2.645 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.921 4.311 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.905 2.995 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.208 3.509 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.691 1.873 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.393 0.192 -2.348 1.00 0.00 H new ATOM 232 N THR A 14 5.532 4.999 1.703 1.00 0.00 N ATOM 233 CA THR A 14 4.853 5.843 2.659 1.00 0.00 C ATOM 234 C THR A 14 4.273 7.052 1.899 1.00 0.00 C ATOM 235 O THR A 14 4.868 7.503 0.912 1.00 0.00 O ATOM 236 CB THR A 14 5.867 6.277 3.756 1.00 0.00 C ATOM 237 OG1 THR A 14 6.661 5.140 4.133 1.00 0.00 O ATOM 238 CG2 THR A 14 5.171 6.822 4.997 1.00 0.00 C ATOM 0 H THR A 14 6.544 5.125 1.703 1.00 0.00 H new ATOM 0 HA THR A 14 4.035 5.317 3.152 1.00 0.00 H new ATOM 0 HB THR A 14 6.487 7.072 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.304 5.405 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.918 7.112 5.735 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.572 7.691 4.726 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.524 6.053 5.419 1.00 0.00 H new ATOM 246 N LEU A 15 3.106 7.555 2.311 1.00 0.00 N ATOM 247 CA LEU A 15 2.401 8.607 1.570 1.00 0.00 C ATOM 248 C LEU A 15 2.712 9.976 2.188 1.00 0.00 C ATOM 249 O LEU A 15 2.148 10.335 3.224 1.00 0.00 O ATOM 250 CB LEU A 15 0.877 8.336 1.580 1.00 0.00 C ATOM 251 CG LEU A 15 0.014 9.333 0.750 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.340 9.245 -0.756 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.487 9.125 1.023 1.00 0.00 C ATOM 0 H LEU A 15 2.627 7.249 3.158 1.00 0.00 H new ATOM 0 HA LEU A 15 2.742 8.606 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.702 7.329 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.529 8.354 2.613 1.00 0.00 H new ATOM 0 HG LEU A 15 0.269 10.343 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.280 9.954 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.392 9.484 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.139 8.235 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.066 9.834 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.769 8.108 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.690 9.286 2.082 1.00 0.00 H new ATOM 265 N LYS A 16 3.638 10.711 1.573 1.00 0.00 N ATOM 266 CA LYS A 16 4.012 12.058 2.008 1.00 0.00 C ATOM 267 C LYS A 16 3.024 13.088 1.430 1.00 0.00 C ATOM 268 O LYS A 16 3.045 13.376 0.229 1.00 0.00 O ATOM 269 CB LYS A 16 5.461 12.371 1.551 1.00 0.00 C ATOM 270 CG LYS A 16 6.030 13.698 2.093 1.00 0.00 C ATOM 271 CD LYS A 16 7.466 13.980 1.602 1.00 0.00 C ATOM 272 CE LYS A 16 7.984 15.358 2.045 1.00 0.00 C ATOM 273 NZ LYS A 16 7.956 15.513 3.517 1.00 0.00 N ATOM 0 H LYS A 16 4.153 10.388 0.754 1.00 0.00 H new ATOM 0 HA LYS A 16 3.970 12.114 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.112 11.556 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.487 12.397 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.380 14.518 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.022 13.673 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.134 13.206 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.492 13.919 0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.004 15.495 1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.377 16.138 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.406 16.413 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.970 15.510 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.472 14.726 3.959 1.00 0.00 H new ATOM 287 N GLN A 17 2.136 13.609 2.288 1.00 0.00 N ATOM 288 CA GLN A 17 1.177 14.664 1.928 1.00 0.00 C ATOM 289 C GLN A 17 1.851 16.032 2.159 1.00 0.00 C ATOM 290 O GLN A 17 1.804 16.590 3.262 1.00 0.00 O ATOM 291 CB GLN A 17 -0.133 14.500 2.759 1.00 0.00 C ATOM 292 CG GLN A 17 -0.838 13.144 2.558 1.00 0.00 C ATOM 293 CD GLN A 17 -2.129 12.992 3.373 1.00 0.00 C ATOM 294 OE1 GLN A 17 -2.111 12.507 4.505 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.255 13.405 2.804 1.00 0.00 N ATOM 0 H GLN A 17 2.062 13.308 3.260 1.00 0.00 H new ATOM 0 HA GLN A 17 0.895 14.591 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.102 14.622 3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.823 15.300 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.070 13.019 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.150 12.343 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.236 13.802 1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.139 13.325 3.306 1.00 0.00 H new ATOM 304 N THR A 18 2.537 16.528 1.113 1.00 0.00 N ATOM 305 CA THR A 18 3.356 17.749 1.168 1.00 0.00 C ATOM 306 C THR A 18 2.533 18.950 0.714 1.00 0.00 C ATOM 307 O THR A 18 1.829 18.861 -0.291 1.00 0.00 O ATOM 308 CB THR A 18 4.621 17.611 0.249 1.00 0.00 C ATOM 309 OG1 THR A 18 5.237 16.342 0.482 1.00 0.00 O ATOM 310 CG2 THR A 18 5.657 18.728 0.504 1.00 0.00 C ATOM 0 H THR A 18 2.537 16.085 0.194 1.00 0.00 H new ATOM 0 HA THR A 18 3.681 17.895 2.198 1.00 0.00 H new ATOM 0 HB THR A 18 4.286 17.698 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.926 16.183 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.513 18.588 -0.156 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.202 19.698 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.988 18.687 1.542 1.00 0.00 H new ATOM 318 N ARG A 19 2.620 20.064 1.447 1.00 0.00 N ATOM 319 CA ARG A 19 1.937 21.299 1.064 1.00 0.00 C ATOM 320 C ARG A 19 2.663 21.969 -0.120 1.00 0.00 C ATOM 321 O ARG A 19 3.885 21.860 -0.245 1.00 0.00 O ATOM 322 CB ARG A 19 1.803 22.270 2.276 1.00 0.00 C ATOM 323 CG ARG A 19 1.000 23.581 1.987 1.00 0.00 C ATOM 324 CD ARG A 19 -0.105 23.877 3.027 1.00 0.00 C ATOM 325 NE ARG A 19 0.439 24.090 4.377 1.00 0.00 N ATOM 326 CZ ARG A 19 -0.238 24.568 5.429 1.00 0.00 C ATOM 327 NH1 ARG A 19 -1.505 24.944 5.321 1.00 0.00 N ATOM 328 NH2 ARG A 19 0.372 24.667 6.597 1.00 0.00 N ATOM 0 H ARG A 19 3.158 20.134 2.310 1.00 0.00 H new ATOM 0 HA ARG A 19 0.927 21.047 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.320 21.739 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.802 22.541 2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.693 24.422 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.546 23.508 0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.663 24.762 2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.811 23.047 3.049 1.00 0.00 H new ATOM 0 HE ARG A 19 1.420 23.852 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.984 24.872 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.001 25.305 6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.347 24.381 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.132 25.029 7.406 1.00 0.00 H new ATOM 342 N ASP A 20 1.895 22.662 -0.976 1.00 0.00 N ATOM 343 CA ASP A 20 2.429 23.384 -2.152 1.00 0.00 C ATOM 344 C ASP A 20 2.626 24.861 -1.781 1.00 0.00 C ATOM 345 O ASP A 20 2.077 25.319 -0.774 1.00 0.00 O ATOM 346 CB ASP A 20 1.445 23.263 -3.342 1.00 0.00 C ATOM 347 CG ASP A 20 2.027 23.773 -4.672 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.793 23.029 -5.322 1.00 0.00 O ATOM 349 OD2 ASP A 20 1.741 24.922 -5.067 1.00 0.00 O ATOM 0 H ASP A 20 0.883 22.740 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 20 3.384 22.949 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.154 22.219 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.538 23.823 -3.112 1.00 0.00 H new ATOM 354 N ILE A 21 3.401 25.614 -2.582 1.00 0.00 N ATOM 355 CA ILE A 21 3.590 27.067 -2.395 1.00 0.00 C ATOM 356 C ILE A 21 2.277 27.890 -2.583 1.00 0.00 C ATOM 357 O ILE A 21 2.228 29.069 -2.224 1.00 0.00 O ATOM 358 CB ILE A 21 4.720 27.580 -3.370 1.00 0.00 C ATOM 359 CG1 ILE A 21 5.203 29.023 -2.990 1.00 0.00 C ATOM 360 CG2 ILE A 21 4.252 27.499 -4.845 1.00 0.00 C ATOM 361 CD1 ILE A 21 6.341 29.562 -3.838 1.00 0.00 C ATOM 0 H ILE A 21 3.914 25.234 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 21 3.893 27.224 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 21 5.581 26.922 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.357 29.706 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.517 29.022 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.047 27.858 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.015 26.465 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.365 28.117 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.604 30.564 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.207 28.908 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.030 29.602 -4.882 1.00 0.00 H new ATOM 373 N THR A 22 1.197 27.266 -3.104 1.00 0.00 N ATOM 374 CA THR A 22 -0.127 27.927 -3.233 1.00 0.00 C ATOM 375 C THR A 22 -1.044 27.493 -2.057 1.00 0.00 C ATOM 376 O THR A 22 -2.162 27.984 -1.902 1.00 0.00 O ATOM 377 CB THR A 22 -0.794 27.577 -4.605 1.00 0.00 C ATOM 378 OG1 THR A 22 -0.926 26.156 -4.731 1.00 0.00 O ATOM 379 CG2 THR A 22 0.024 28.115 -5.795 1.00 0.00 C ATOM 0 H THR A 22 1.214 26.304 -3.443 1.00 0.00 H new ATOM 0 HA THR A 22 0.016 29.007 -3.196 1.00 0.00 H new ATOM 0 HB THR A 22 -1.775 28.052 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.045 25.759 -4.891 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.474 27.850 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.104 29.200 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.022 27.676 -5.779 1.00 0.00 H new ATOM 387 N GLY A 23 -0.512 26.571 -1.238 1.00 0.00 N ATOM 388 CA GLY A 23 -1.180 26.075 -0.042 1.00 0.00 C ATOM 389 C GLY A 23 -2.161 24.959 -0.337 1.00 0.00 C ATOM 390 O GLY A 23 -3.285 24.960 0.173 1.00 0.00 O ATOM 0 H GLY A 23 0.403 26.150 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.431 25.717 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.707 26.897 0.442 1.00 0.00 H new ATOM 394 N GLU A 24 -1.731 24.006 -1.182 1.00 0.00 N ATOM 395 CA GLU A 24 -2.497 22.775 -1.493 1.00 0.00 C ATOM 396 C GLU A 24 -1.889 21.580 -0.738 1.00 0.00 C ATOM 397 O GLU A 24 -0.857 21.729 -0.103 1.00 0.00 O ATOM 398 CB GLU A 24 -2.477 22.513 -3.023 1.00 0.00 C ATOM 399 CG GLU A 24 -2.977 23.690 -3.874 1.00 0.00 C ATOM 400 CD GLU A 24 -2.834 23.433 -5.383 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.693 23.185 -5.839 1.00 0.00 O ATOM 402 OE2 GLU A 24 -3.843 23.473 -6.120 1.00 0.00 O ATOM 0 H GLU A 24 -0.839 24.063 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.531 22.904 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.458 22.269 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.091 21.638 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.024 23.883 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.420 24.588 -3.608 1.00 0.00 H new ATOM 409 N ILE A 25 -2.538 20.398 -0.797 1.00 0.00 N ATOM 410 CA ILE A 25 -2.022 19.153 -0.178 1.00 0.00 C ATOM 411 C ILE A 25 -1.790 18.095 -1.277 1.00 0.00 C ATOM 412 O ILE A 25 -2.737 17.489 -1.792 1.00 0.00 O ATOM 413 CB ILE A 25 -2.990 18.595 0.940 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.191 19.643 2.085 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.480 17.239 1.511 1.00 0.00 C ATOM 416 CD1 ILE A 25 -1.928 20.018 2.851 1.00 0.00 C ATOM 0 H ILE A 25 -3.432 20.277 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.078 19.385 0.314 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.958 18.414 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.619 20.549 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.922 19.250 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.169 16.884 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.422 16.505 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.491 17.377 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.173 20.749 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.507 19.127 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.199 20.447 2.163 1.00 0.00 H new ATOM 428 N LEU A 26 -0.515 17.913 -1.637 1.00 0.00 N ATOM 429 CA LEU A 26 -0.062 16.989 -2.691 1.00 0.00 C ATOM 430 C LEU A 26 0.329 15.652 -2.058 1.00 0.00 C ATOM 431 O LEU A 26 1.347 15.561 -1.361 1.00 0.00 O ATOM 432 CB LEU A 26 1.152 17.589 -3.480 1.00 0.00 C ATOM 433 CG LEU A 26 0.832 18.717 -4.517 1.00 0.00 C ATOM 434 CD1 LEU A 26 0.170 19.946 -3.865 1.00 0.00 C ATOM 435 CD2 LEU A 26 2.104 19.117 -5.298 1.00 0.00 C ATOM 0 H LEU A 26 0.254 18.416 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.878 16.835 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.865 17.985 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.651 16.775 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 26 0.107 18.309 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.031 20.698 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.767 19.648 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.839 20.363 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.860 19.902 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.859 19.483 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.492 18.249 -5.831 1.00 0.00 H new ATOM 447 N GLU A 27 -0.493 14.625 -2.297 1.00 0.00 N ATOM 448 CA GLU A 27 -0.211 13.261 -1.859 1.00 0.00 C ATOM 449 C GLU A 27 0.782 12.623 -2.840 1.00 0.00 C ATOM 450 O GLU A 27 0.486 12.475 -4.031 1.00 0.00 O ATOM 451 CB GLU A 27 -1.510 12.424 -1.781 1.00 0.00 C ATOM 452 CG GLU A 27 -2.577 13.028 -0.861 1.00 0.00 C ATOM 453 CD GLU A 27 -3.819 12.134 -0.689 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.665 12.083 -1.606 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.956 11.483 0.370 1.00 0.00 O ATOM 0 H GLU A 27 -1.374 14.720 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 27 0.223 13.286 -0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.925 12.318 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.265 11.421 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.137 13.216 0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.887 13.993 -1.262 1.00 0.00 H new ATOM 462 N THR A 28 1.963 12.282 -2.321 1.00 0.00 N ATOM 463 CA THR A 28 3.079 11.705 -3.097 1.00 0.00 C ATOM 464 C THR A 28 3.626 10.479 -2.366 1.00 0.00 C ATOM 465 O THR A 28 3.466 10.355 -1.152 1.00 0.00 O ATOM 466 CB THR A 28 4.230 12.748 -3.335 1.00 0.00 C ATOM 467 OG1 THR A 28 4.593 13.380 -2.099 1.00 0.00 O ATOM 468 CG2 THR A 28 3.842 13.816 -4.364 1.00 0.00 C ATOM 0 H THR A 28 2.182 12.399 -1.332 1.00 0.00 H new ATOM 0 HA THR A 28 2.695 11.415 -4.075 1.00 0.00 H new ATOM 0 HB THR A 28 5.082 12.197 -3.732 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.968 13.106 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.669 14.513 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.617 13.338 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.963 14.357 -4.013 1.00 0.00 H new ATOM 476 N TRP A 29 4.291 9.581 -3.103 1.00 0.00 N ATOM 477 CA TRP A 29 4.767 8.302 -2.556 1.00 0.00 C ATOM 478 C TRP A 29 6.272 8.369 -2.313 1.00 0.00 C ATOM 479 O TRP A 29 7.062 8.279 -3.254 1.00 0.00 O ATOM 480 CB TRP A 29 4.415 7.135 -3.516 1.00 0.00 C ATOM 481 CG TRP A 29 2.930 6.967 -3.702 1.00 0.00 C ATOM 482 CD1 TRP A 29 2.180 7.365 -4.771 1.00 0.00 C ATOM 483 CD2 TRP A 29 2.017 6.380 -2.766 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.865 7.049 -4.563 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.737 6.445 -3.339 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.163 5.805 -1.496 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.394 5.951 -2.696 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.042 5.317 -0.856 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.226 5.398 -1.453 1.00 0.00 C ATOM 0 H TRP A 29 4.514 9.718 -4.089 1.00 0.00 H new ATOM 0 HA TRP A 29 4.269 8.117 -1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.881 7.313 -4.485 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.836 6.208 -3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.567 7.857 -5.651 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.102 7.233 -5.214 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.134 5.745 -1.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.368 6.001 -3.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.142 4.865 0.120 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.086 5.017 -0.922 1.00 0.00 H new ATOM 500 N GLU A 30 6.656 8.564 -1.048 1.00 0.00 N ATOM 501 CA GLU A 30 8.057 8.523 -0.636 1.00 0.00 C ATOM 502 C GLU A 30 8.450 7.054 -0.404 1.00 0.00 C ATOM 503 O GLU A 30 7.795 6.331 0.361 1.00 0.00 O ATOM 504 CB GLU A 30 8.318 9.397 0.626 1.00 0.00 C ATOM 505 CG GLU A 30 7.477 9.057 1.871 1.00 0.00 C ATOM 506 CD GLU A 30 8.035 9.662 3.167 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.954 9.059 3.757 1.00 0.00 O ATOM 508 OE2 GLU A 30 7.593 10.751 3.581 1.00 0.00 O ATOM 0 H GLU A 30 6.005 8.754 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 30 8.679 8.947 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.372 9.312 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.138 10.440 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.458 9.415 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.422 7.974 1.979 1.00 0.00 H new ATOM 515 N ASP A 31 9.485 6.614 -1.120 1.00 0.00 N ATOM 516 CA ASP A 31 10.015 5.248 -1.025 1.00 0.00 C ATOM 517 C ASP A 31 10.729 5.116 0.337 1.00 0.00 C ATOM 518 O ASP A 31 11.731 5.792 0.567 1.00 0.00 O ATOM 519 CB ASP A 31 10.975 5.001 -2.218 1.00 0.00 C ATOM 520 CG ASP A 31 11.427 3.543 -2.357 1.00 0.00 C ATOM 521 OD1 ASP A 31 10.633 2.714 -2.859 1.00 0.00 O ATOM 522 OD2 ASP A 31 12.576 3.223 -1.988 1.00 0.00 O ATOM 0 H ASP A 31 9.986 7.199 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 31 9.226 4.498 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.480 5.308 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.854 5.635 -2.102 1.00 0.00 H new ATOM 527 N GLY A 32 10.212 4.249 1.229 1.00 0.00 N ATOM 528 CA GLY A 32 10.508 4.322 2.671 1.00 0.00 C ATOM 529 C GLY A 32 11.410 3.192 3.148 1.00 0.00 C ATOM 530 O GLY A 32 12.530 3.047 2.657 1.00 0.00 O ATOM 0 H GLY A 32 9.584 3.487 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.984 5.278 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.573 4.295 3.231 1.00 0.00 H new ATOM 534 N HIS A 33 10.913 2.375 4.094 1.00 0.00 N ATOM 535 CA HIS A 33 11.690 1.277 4.720 1.00 0.00 C ATOM 536 C HIS A 33 11.762 0.071 3.783 1.00 0.00 C ATOM 537 O HIS A 33 10.947 -0.047 2.882 1.00 0.00 O ATOM 538 CB HIS A 33 11.045 0.860 6.071 1.00 0.00 C ATOM 539 CG HIS A 33 11.074 1.940 7.112 1.00 0.00 C ATOM 540 ND1 HIS A 33 9.979 2.298 7.857 1.00 0.00 N ATOM 541 CD2 HIS A 33 12.085 2.722 7.543 1.00 0.00 C ATOM 542 CE1 HIS A 33 10.316 3.248 8.699 1.00 0.00 C ATOM 543 NE2 HIS A 33 11.587 3.528 8.532 1.00 0.00 N ATOM 0 H HIS A 33 9.960 2.453 4.450 1.00 0.00 H new ATOM 0 HA HIS A 33 12.702 1.637 4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.010 0.566 5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.564 -0.018 6.456 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.048 1.890 7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.101 2.714 7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.656 3.721 9.411 1.00 0.00 H new ATOM 552 N THR A 34 12.740 -0.820 3.995 1.00 0.00 N ATOM 553 CA THR A 34 12.874 -2.060 3.214 1.00 0.00 C ATOM 554 C THR A 34 13.232 -3.200 4.173 1.00 0.00 C ATOM 555 O THR A 34 14.396 -3.364 4.555 1.00 0.00 O ATOM 556 CB THR A 34 13.929 -1.931 2.061 1.00 0.00 C ATOM 557 OG1 THR A 34 13.595 -0.808 1.234 1.00 0.00 O ATOM 558 CG2 THR A 34 13.989 -3.193 1.177 1.00 0.00 C ATOM 0 H THR A 34 13.459 -0.704 4.709 1.00 0.00 H new ATOM 0 HA THR A 34 11.924 -2.271 2.723 1.00 0.00 H new ATOM 0 HB THR A 34 14.905 -1.799 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.061 -1.111 0.470 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.734 -3.054 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.262 -4.053 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.013 -3.366 0.723 1.00 0.00 H new ATOM 566 N LEU A 35 12.198 -3.943 4.604 1.00 0.00 N ATOM 567 CA LEU A 35 12.327 -5.003 5.623 1.00 0.00 C ATOM 568 C LEU A 35 12.102 -6.397 5.030 1.00 0.00 C ATOM 569 O LEU A 35 11.694 -6.540 3.875 1.00 0.00 O ATOM 570 CB LEU A 35 11.353 -4.758 6.825 1.00 0.00 C ATOM 571 CG LEU A 35 9.828 -4.557 6.496 1.00 0.00 C ATOM 572 CD1 LEU A 35 8.938 -4.954 7.690 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.522 -3.098 6.079 1.00 0.00 C ATOM 0 H LEU A 35 11.246 -3.826 4.256 1.00 0.00 H new ATOM 0 HA LEU A 35 13.351 -4.960 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.441 -5.604 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.700 -3.876 7.364 1.00 0.00 H new ATOM 0 HG LEU A 35 9.599 -5.212 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.891 -4.803 7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.103 -6.003 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.190 -4.337 8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.459 -2.998 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.790 -2.423 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.101 -2.844 5.191 1.00 0.00 H new ATOM 585 N TRP A 36 12.416 -7.406 5.853 1.00 0.00 N ATOM 586 CA TRP A 36 12.257 -8.829 5.512 1.00 0.00 C ATOM 587 C TRP A 36 10.762 -9.218 5.389 1.00 0.00 C ATOM 588 O TRP A 36 9.958 -8.914 6.281 1.00 0.00 O ATOM 589 CB TRP A 36 12.952 -9.715 6.578 1.00 0.00 C ATOM 590 CG TRP A 36 14.356 -9.264 6.953 1.00 0.00 C ATOM 591 CD1 TRP A 36 14.777 -8.826 8.181 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.505 -9.181 6.089 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.110 -8.510 8.137 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.579 -8.710 6.869 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.739 -9.470 4.740 1.00 0.00 C ATOM 596 CZ2 TRP A 36 17.858 -8.514 6.349 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.007 -9.274 4.229 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.054 -8.804 5.029 1.00 0.00 C ATOM 0 H TRP A 36 12.793 -7.256 6.789 1.00 0.00 H new ATOM 0 HA TRP A 36 12.728 -8.996 4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.336 -9.730 7.477 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.000 -10.739 6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.150 -8.742 9.056 1.00 0.00 H new ATOM 0 HE1 TRP A 36 16.664 -8.178 8.926 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.943 -9.839 4.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.664 -8.146 6.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.195 -9.489 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.034 -8.668 4.595 1.00 0.00 H new ATOM 609 N ALA A 37 10.424 -9.907 4.288 1.00 0.00 N ATOM 610 CA ALA A 37 9.068 -10.439 4.029 1.00 0.00 C ATOM 611 C ALA A 37 9.127 -11.825 3.381 1.00 0.00 C ATOM 612 O ALA A 37 10.187 -12.380 3.209 1.00 0.00 O ATOM 613 CB ALA A 37 8.272 -9.489 3.133 1.00 0.00 C ATOM 0 H ALA A 37 11.088 -10.115 3.542 1.00 0.00 H new ATOM 0 HA ALA A 37 8.566 -10.526 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.279 -9.902 2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.180 -8.519 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.789 -9.368 2.181 1.00 0.00 H new ATOM 619 N SER A 38 7.954 -12.421 3.133 1.00 0.00 N ATOM 620 CA SER A 38 7.774 -13.563 2.243 1.00 0.00 C ATOM 621 C SER A 38 6.458 -13.317 1.490 1.00 0.00 C ATOM 622 O SER A 38 5.369 -13.421 2.078 1.00 0.00 O ATOM 623 CB SER A 38 7.722 -14.878 3.056 1.00 0.00 C ATOM 624 OG SER A 38 8.887 -15.042 3.845 1.00 0.00 O ATOM 0 H SER A 38 7.082 -12.109 3.561 1.00 0.00 H new ATOM 0 HA SER A 38 8.604 -13.663 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.842 -14.876 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.618 -15.724 2.377 1.00 0.00 H new ATOM 0 HG SER A 38 8.826 -15.880 4.349 1.00 0.00 H new ATOM 630 N VAL A 39 6.557 -12.935 0.211 1.00 0.00 N ATOM 631 CA VAL A 39 5.398 -12.486 -0.585 1.00 0.00 C ATOM 632 C VAL A 39 4.808 -13.682 -1.339 1.00 0.00 C ATOM 633 O VAL A 39 5.483 -14.278 -2.176 1.00 0.00 O ATOM 634 CB VAL A 39 5.811 -11.353 -1.595 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.592 -10.841 -2.416 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.504 -10.191 -0.842 1.00 0.00 C ATOM 0 H VAL A 39 7.437 -12.927 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 39 4.647 -12.073 0.089 1.00 0.00 H new ATOM 0 HB VAL A 39 6.519 -11.778 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.918 -10.059 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.163 -11.667 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.840 -10.438 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.785 -9.413 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.819 -9.777 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.397 -10.564 -0.340 1.00 0.00 H new ATOM 646 N ASN A 40 3.565 -14.068 -0.996 1.00 0.00 N ATOM 647 CA ASN A 40 2.852 -15.187 -1.646 1.00 0.00 C ATOM 648 C ASN A 40 1.424 -14.727 -1.986 1.00 0.00 C ATOM 649 O ASN A 40 0.696 -14.269 -1.097 1.00 0.00 O ATOM 650 CB ASN A 40 2.784 -16.433 -0.707 1.00 0.00 C ATOM 651 CG ASN A 40 4.130 -16.809 -0.101 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.888 -17.582 -0.670 1.00 0.00 O ATOM 653 ND2 ASN A 40 4.454 -16.233 1.052 1.00 0.00 N ATOM 0 H ASN A 40 3.025 -13.613 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 40 3.391 -15.472 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.075 -16.235 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.398 -17.282 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.356 -16.432 1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.801 -15.592 1.503 1.00 0.00 H new ATOM 660 N MET A 41 1.026 -14.838 -3.262 1.00 0.00 N ATOM 661 CA MET A 41 -0.354 -14.528 -3.691 1.00 0.00 C ATOM 662 C MET A 41 -1.316 -15.571 -3.099 1.00 0.00 C ATOM 663 O MET A 41 -1.020 -16.774 -3.136 1.00 0.00 O ATOM 664 CB MET A 41 -0.467 -14.516 -5.235 1.00 0.00 C ATOM 665 CG MET A 41 0.471 -13.523 -5.933 1.00 0.00 C ATOM 666 SD MET A 41 0.200 -13.420 -7.720 1.00 0.00 S ATOM 667 CE MET A 41 -1.502 -12.847 -7.809 1.00 0.00 C ATOM 0 H MET A 41 1.639 -15.140 -4.019 1.00 0.00 H new ATOM 0 HA MET A 41 -0.619 -13.535 -3.328 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.259 -15.518 -5.610 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.495 -14.280 -5.510 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.335 -12.535 -5.494 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.504 -13.816 -5.745 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.576 -12.038 -8.535 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.147 -13.670 -8.116 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.816 -12.486 -6.830 1.00 0.00 H new ATOM 677 N VAL A 42 -2.453 -15.108 -2.543 1.00 0.00 N ATOM 678 CA VAL A 42 -3.460 -16.000 -1.933 1.00 0.00 C ATOM 679 C VAL A 42 -4.158 -16.835 -3.020 1.00 0.00 C ATOM 680 O VAL A 42 -4.251 -16.410 -4.179 1.00 0.00 O ATOM 681 CB VAL A 42 -4.556 -15.220 -1.094 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.916 -14.187 -0.141 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.660 -14.567 -1.979 1.00 0.00 C ATOM 0 H VAL A 42 -2.698 -14.119 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.918 -16.647 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.058 -15.973 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.699 -13.673 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.250 -14.698 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.347 -13.461 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.378 -14.050 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.202 -13.854 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.173 -15.341 -2.550 1.00 0.00 H new ATOM 693 N SER A 43 -4.628 -18.017 -2.630 1.00 0.00 N ATOM 694 CA SER A 43 -5.439 -18.886 -3.485 1.00 0.00 C ATOM 695 C SER A 43 -6.929 -18.676 -3.136 1.00 0.00 C ATOM 696 O SER A 43 -7.273 -17.811 -2.303 1.00 0.00 O ATOM 697 CB SER A 43 -4.983 -20.353 -3.286 1.00 0.00 C ATOM 698 OG SER A 43 -5.639 -21.246 -4.174 1.00 0.00 O ATOM 0 H SER A 43 -4.456 -18.404 -1.702 1.00 0.00 H new ATOM 0 HA SER A 43 -5.308 -18.642 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.906 -20.420 -3.437 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.180 -20.656 -2.258 1.00 0.00 H new ATOM 0 HG SER A 43 -5.320 -22.159 -4.015 1.00 0.00 H new ATOM 704 N SER A 44 -7.797 -19.479 -3.775 1.00 0.00 N ATOM 705 CA SER A 44 -9.263 -19.423 -3.604 1.00 0.00 C ATOM 706 C SER A 44 -9.704 -19.583 -2.132 1.00 0.00 C ATOM 707 O SER A 44 -10.711 -19.001 -1.732 1.00 0.00 O ATOM 708 CB SER A 44 -9.929 -20.500 -4.494 1.00 0.00 C ATOM 709 OG SER A 44 -9.303 -21.763 -4.333 1.00 0.00 O ATOM 0 H SER A 44 -7.498 -20.197 -4.435 1.00 0.00 H new ATOM 0 HA SER A 44 -9.591 -18.431 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.986 -20.581 -4.241 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.874 -20.195 -5.539 1.00 0.00 H new ATOM 0 HG SER A 44 -9.746 -22.423 -4.906 1.00 0.00 H new ATOM 715 N LYS A 45 -8.908 -20.344 -1.349 1.00 0.00 N ATOM 716 CA LYS A 45 -9.160 -20.630 0.085 1.00 0.00 C ATOM 717 C LYS A 45 -9.448 -19.351 0.908 1.00 0.00 C ATOM 718 O LYS A 45 -10.423 -19.292 1.671 1.00 0.00 O ATOM 719 CB LYS A 45 -7.931 -21.368 0.681 1.00 0.00 C ATOM 720 CG LYS A 45 -8.073 -21.770 2.169 1.00 0.00 C ATOM 721 CD LYS A 45 -6.791 -22.399 2.763 1.00 0.00 C ATOM 722 CE LYS A 45 -6.396 -23.714 2.079 1.00 0.00 C ATOM 723 NZ LYS A 45 -7.464 -24.745 2.176 1.00 0.00 N ATOM 0 H LYS A 45 -8.058 -20.785 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.051 -21.255 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.744 -22.267 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.054 -20.729 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.339 -20.888 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.896 -22.478 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.969 -21.688 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.941 -22.580 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.174 -23.522 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.482 -24.097 2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.103 -25.654 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.755 -24.851 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.282 -24.452 1.605 1.00 0.00 H new ATOM 737 N GLU A 46 -8.593 -18.327 0.730 1.00 0.00 N ATOM 738 CA GLU A 46 -8.675 -17.068 1.501 1.00 0.00 C ATOM 739 C GLU A 46 -9.893 -16.237 1.079 1.00 0.00 C ATOM 740 O GLU A 46 -10.532 -15.597 1.912 1.00 0.00 O ATOM 741 CB GLU A 46 -7.384 -16.242 1.321 1.00 0.00 C ATOM 742 CG GLU A 46 -6.076 -17.015 1.597 1.00 0.00 C ATOM 743 CD GLU A 46 -6.060 -17.762 2.935 1.00 0.00 C ATOM 744 OE1 GLU A 46 -6.119 -17.110 3.998 1.00 0.00 O ATOM 745 OE2 GLU A 46 -5.974 -19.007 2.937 1.00 0.00 O ATOM 0 H GLU A 46 -7.830 -18.346 0.053 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.788 -17.328 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.354 -15.858 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.426 -15.379 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.913 -17.731 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.241 -16.315 1.574 1.00 0.00 H new ATOM 752 N ALA A 47 -10.192 -16.275 -0.230 1.00 0.00 N ATOM 753 CA ALA A 47 -11.351 -15.585 -0.825 1.00 0.00 C ATOM 754 C ALA A 47 -12.670 -16.153 -0.256 1.00 0.00 C ATOM 755 O ALA A 47 -13.606 -15.411 0.036 1.00 0.00 O ATOM 756 CB ALA A 47 -11.297 -15.723 -2.354 1.00 0.00 C ATOM 0 H ALA A 47 -9.633 -16.789 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.314 -14.526 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.153 -15.213 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.376 -15.275 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.323 -16.778 -2.625 1.00 0.00 H new ATOM 762 N ILE A 48 -12.691 -17.484 -0.093 1.00 0.00 N ATOM 763 CA ILE A 48 -13.834 -18.225 0.478 1.00 0.00 C ATOM 764 C ILE A 48 -14.024 -17.860 1.962 1.00 0.00 C ATOM 765 O ILE A 48 -15.135 -17.536 2.393 1.00 0.00 O ATOM 766 CB ILE A 48 -13.639 -19.781 0.291 1.00 0.00 C ATOM 767 CG1 ILE A 48 -13.592 -20.141 -1.228 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.737 -20.604 1.022 1.00 0.00 C ATOM 769 CD1 ILE A 48 -13.242 -21.588 -1.536 1.00 0.00 C ATOM 0 H ILE A 48 -11.910 -18.085 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.738 -17.937 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.687 -20.049 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -14.563 -19.916 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.863 -19.495 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -14.560 -21.668 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.705 -20.386 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.717 -20.336 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -13.235 -21.739 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.257 -21.818 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.983 -22.246 -1.083 1.00 0.00 H new ATOM 781 N SER A 49 -12.916 -17.860 2.713 1.00 0.00 N ATOM 782 CA SER A 49 -12.920 -17.610 4.169 1.00 0.00 C ATOM 783 C SER A 49 -13.213 -16.136 4.511 1.00 0.00 C ATOM 784 O SER A 49 -13.668 -15.833 5.614 1.00 0.00 O ATOM 785 CB SER A 49 -11.570 -18.053 4.766 1.00 0.00 C ATOM 786 OG SER A 49 -11.531 -17.887 6.173 1.00 0.00 O ATOM 0 H SER A 49 -11.986 -18.033 2.332 1.00 0.00 H new ATOM 0 HA SER A 49 -13.727 -18.195 4.610 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.391 -19.099 4.519 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.765 -17.476 4.311 1.00 0.00 H new ATOM 0 HG SER A 49 -10.660 -18.180 6.513 1.00 0.00 H new ATOM 792 N SER A 50 -12.933 -15.228 3.570 1.00 0.00 N ATOM 793 CA SER A 50 -13.204 -13.783 3.734 1.00 0.00 C ATOM 794 C SER A 50 -14.480 -13.364 2.973 1.00 0.00 C ATOM 795 O SER A 50 -14.918 -12.211 3.072 1.00 0.00 O ATOM 796 CB SER A 50 -11.982 -12.987 3.249 1.00 0.00 C ATOM 797 OG SER A 50 -10.809 -13.395 3.938 1.00 0.00 O ATOM 0 H SER A 50 -12.513 -15.467 2.672 1.00 0.00 H new ATOM 0 HA SER A 50 -13.378 -13.568 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.849 -13.133 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.150 -11.922 3.407 1.00 0.00 H new ATOM 0 HG SER A 50 -10.415 -14.169 3.483 1.00 0.00 H new ATOM 803 N GLY A 51 -15.061 -14.313 2.213 1.00 0.00 N ATOM 804 CA GLY A 51 -16.309 -14.089 1.479 1.00 0.00 C ATOM 805 C GLY A 51 -16.121 -13.230 0.228 1.00 0.00 C ATOM 806 O GLY A 51 -15.850 -13.750 -0.858 1.00 0.00 O ATOM 0 H GLY A 51 -14.676 -15.250 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.733 -15.051 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.031 -13.607 2.139 1.00 0.00 H new ATOM 810 N ALA A 52 -16.254 -11.907 0.394 1.00 0.00 N ATOM 811 CA ALA A 52 -16.113 -10.922 -0.701 1.00 0.00 C ATOM 812 C ALA A 52 -14.927 -9.979 -0.438 1.00 0.00 C ATOM 813 O ALA A 52 -14.512 -9.234 -1.333 1.00 0.00 O ATOM 814 CB ALA A 52 -17.422 -10.124 -0.848 1.00 0.00 C ATOM 0 H ALA A 52 -16.464 -11.481 1.297 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.914 -11.453 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.317 -9.399 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.240 -10.806 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.636 -9.601 0.084 1.00 0.00 H new ATOM 820 N GLU A 53 -14.394 -10.032 0.800 1.00 0.00 N ATOM 821 CA GLU A 53 -13.332 -9.132 1.276 1.00 0.00 C ATOM 822 C GLU A 53 -12.033 -9.360 0.467 1.00 0.00 C ATOM 823 O GLU A 53 -11.538 -8.448 -0.209 1.00 0.00 O ATOM 824 CB GLU A 53 -13.108 -9.361 2.796 1.00 0.00 C ATOM 825 CG GLU A 53 -12.268 -8.287 3.501 1.00 0.00 C ATOM 826 CD GLU A 53 -12.923 -6.890 3.490 1.00 0.00 C ATOM 827 OE1 GLU A 53 -13.898 -6.670 4.244 1.00 0.00 O ATOM 828 OE2 GLU A 53 -12.450 -6.000 2.751 1.00 0.00 O ATOM 0 H GLU A 53 -14.694 -10.709 1.502 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.632 -8.095 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.080 -9.419 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.623 -10.328 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.096 -8.591 4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.292 -8.226 3.020 1.00 0.00 H new ATOM 835 N LEU A 54 -11.512 -10.599 0.521 1.00 0.00 N ATOM 836 CA LEU A 54 -10.394 -11.044 -0.330 1.00 0.00 C ATOM 837 C LEU A 54 -10.955 -11.723 -1.583 1.00 0.00 C ATOM 838 O LEU A 54 -12.126 -12.135 -1.603 1.00 0.00 O ATOM 839 CB LEU A 54 -9.444 -12.015 0.435 1.00 0.00 C ATOM 840 CG LEU A 54 -8.764 -11.448 1.725 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.751 -12.459 2.315 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.104 -10.074 1.455 1.00 0.00 C ATOM 0 H LEU A 54 -11.854 -11.320 1.156 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.806 -10.172 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.013 -12.903 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.661 -12.338 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.544 -11.294 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.295 -12.037 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.268 -13.384 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.976 -12.670 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.640 -9.707 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.344 -10.181 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.862 -9.365 1.123 1.00 0.00 H new ATOM 854 N ALA A 55 -10.112 -11.847 -2.611 1.00 0.00 N ATOM 855 CA ALA A 55 -10.485 -12.446 -3.903 1.00 0.00 C ATOM 856 C ALA A 55 -9.333 -13.301 -4.446 1.00 0.00 C ATOM 857 O ALA A 55 -8.204 -13.228 -3.946 1.00 0.00 O ATOM 858 CB ALA A 55 -10.883 -11.350 -4.903 1.00 0.00 C ATOM 0 H ALA A 55 -9.142 -11.533 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.347 -13.097 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.156 -11.807 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.733 -10.791 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.042 -10.673 -5.054 1.00 0.00 H new ATOM 864 N ILE A 56 -9.638 -14.124 -5.458 1.00 0.00 N ATOM 865 CA ILE A 56 -8.633 -14.947 -6.153 1.00 0.00 C ATOM 866 C ILE A 56 -7.745 -14.019 -7.002 1.00 0.00 C ATOM 867 O ILE A 56 -8.225 -13.419 -7.962 1.00 0.00 O ATOM 868 CB ILE A 56 -9.327 -16.033 -7.059 1.00 0.00 C ATOM 869 CG1 ILE A 56 -10.332 -16.877 -6.205 1.00 0.00 C ATOM 870 CG2 ILE A 56 -8.285 -16.942 -7.769 1.00 0.00 C ATOM 871 CD1 ILE A 56 -11.171 -17.873 -6.991 1.00 0.00 C ATOM 0 H ILE A 56 -10.585 -14.240 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.022 -15.475 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.882 -15.519 -7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.771 -17.419 -5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.002 -16.195 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.803 -17.678 -8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.639 -16.331 -8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.681 -17.455 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.834 -18.407 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.765 -17.341 -7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.516 -18.585 -7.492 1.00 0.00 H new ATOM 883 N GLY A 57 -6.466 -13.883 -6.620 1.00 0.00 N ATOM 884 CA GLY A 57 -5.549 -12.911 -7.245 1.00 0.00 C ATOM 885 C GLY A 57 -5.075 -11.839 -6.268 1.00 0.00 C ATOM 886 O GLY A 57 -4.167 -11.061 -6.589 1.00 0.00 O ATOM 0 H GLY A 57 -6.039 -14.436 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.684 -13.439 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.050 -12.434 -8.087 1.00 0.00 H new ATOM 890 N THR A 58 -5.703 -11.791 -5.076 1.00 0.00 N ATOM 891 CA THR A 58 -5.225 -10.978 -3.940 1.00 0.00 C ATOM 892 C THR A 58 -3.819 -11.461 -3.514 1.00 0.00 C ATOM 893 O THR A 58 -3.551 -12.662 -3.494 1.00 0.00 O ATOM 894 CB THR A 58 -6.241 -11.069 -2.743 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.468 -10.401 -3.092 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.696 -10.508 -1.413 1.00 0.00 C ATOM 0 H THR A 58 -6.555 -12.314 -4.874 1.00 0.00 H new ATOM 0 HA THR A 58 -5.156 -9.933 -4.243 1.00 0.00 H new ATOM 0 HB THR A 58 -6.418 -12.131 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.885 -10.038 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.456 -10.607 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.805 -11.064 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.442 -9.456 -1.539 1.00 0.00 H new ATOM 904 N VAL A 59 -2.914 -10.521 -3.224 1.00 0.00 N ATOM 905 CA VAL A 59 -1.522 -10.827 -2.859 1.00 0.00 C ATOM 906 C VAL A 59 -1.322 -10.625 -1.353 1.00 0.00 C ATOM 907 O VAL A 59 -1.648 -9.567 -0.823 1.00 0.00 O ATOM 908 CB VAL A 59 -0.513 -9.921 -3.646 1.00 0.00 C ATOM 909 CG1 VAL A 59 0.955 -10.297 -3.301 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.784 -9.996 -5.175 1.00 0.00 C ATOM 0 H VAL A 59 -3.124 -9.523 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.327 -11.867 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.664 -8.887 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.636 -9.655 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.124 -10.163 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.137 -11.338 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.073 -9.360 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.671 -11.026 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.798 -9.655 -5.382 1.00 0.00 H new ATOM 920 N ARG A 60 -0.787 -11.638 -0.664 1.00 0.00 N ATOM 921 CA ARG A 60 -0.501 -11.548 0.774 1.00 0.00 C ATOM 922 C ARG A 60 1.017 -11.493 1.003 1.00 0.00 C ATOM 923 O ARG A 60 1.797 -12.118 0.285 1.00 0.00 O ATOM 924 CB ARG A 60 -1.167 -12.723 1.500 1.00 0.00 C ATOM 925 CG ARG A 60 -1.042 -12.715 3.034 1.00 0.00 C ATOM 926 CD ARG A 60 -2.063 -13.655 3.689 1.00 0.00 C ATOM 927 NE ARG A 60 -2.027 -15.026 3.146 1.00 0.00 N ATOM 928 CZ ARG A 60 -2.790 -16.041 3.560 1.00 0.00 C ATOM 929 NH1 ARG A 60 -3.609 -15.892 4.600 1.00 0.00 N ATOM 930 NH2 ARG A 60 -2.710 -17.209 2.950 1.00 0.00 N ATOM 0 H ARG A 60 -0.541 -12.536 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.918 -10.630 1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.225 -12.734 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.736 -13.651 1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.034 -13.016 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.189 -11.701 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.876 -13.692 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.064 -13.244 3.554 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.365 -15.214 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.657 -14.997 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.188 -16.673 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.068 -17.333 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.290 -17.988 3.262 1.00 0.00 H new ATOM 944 N ILE A 61 1.409 -10.720 2.014 1.00 0.00 N ATOM 945 CA ILE A 61 2.794 -10.302 2.252 1.00 0.00 C ATOM 946 C ILE A 61 3.077 -10.467 3.745 1.00 0.00 C ATOM 947 O ILE A 61 2.556 -9.720 4.565 1.00 0.00 O ATOM 948 CB ILE A 61 2.985 -8.798 1.803 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.593 -8.623 0.292 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.429 -8.296 2.074 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.266 -7.210 -0.111 1.00 0.00 C ATOM 0 H ILE A 61 0.757 -10.356 2.709 1.00 0.00 H new ATOM 0 HA ILE A 61 3.490 -10.910 1.674 1.00 0.00 H new ATOM 0 HB ILE A 61 2.317 -8.181 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.415 -8.982 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.732 -9.256 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.520 -7.259 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.644 -8.365 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.138 -8.911 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.007 -7.184 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.422 -6.850 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.131 -6.571 0.067 1.00 0.00 H new ATOM 963 N TRP A 62 3.868 -11.474 4.086 1.00 0.00 N ATOM 964 CA TRP A 62 4.167 -11.812 5.485 1.00 0.00 C ATOM 965 C TRP A 62 5.479 -11.155 5.848 1.00 0.00 C ATOM 966 O TRP A 62 6.489 -11.519 5.303 1.00 0.00 O ATOM 967 CB TRP A 62 4.256 -13.354 5.641 1.00 0.00 C ATOM 968 CG TRP A 62 2.992 -14.074 5.208 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.531 -14.232 3.931 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.054 -14.742 6.050 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.354 -14.918 3.944 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.047 -15.260 5.226 1.00 0.00 C ATOM 973 CE3 TRP A 62 1.974 -14.948 7.423 1.00 0.00 C ATOM 974 CZ2 TRP A 62 -0.030 -15.971 5.736 1.00 0.00 C ATOM 975 CZ3 TRP A 62 0.906 -15.649 7.931 1.00 0.00 C ATOM 976 CH2 TRP A 62 -0.082 -16.161 7.087 1.00 0.00 C ATOM 0 H TRP A 62 4.324 -12.084 3.407 1.00 0.00 H new ATOM 0 HA TRP A 62 3.381 -11.454 6.150 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.096 -13.724 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.465 -13.596 6.683 1.00 0.00 H new ATOM 0 HD1 TRP A 62 3.026 -13.867 3.043 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.791 -15.140 3.123 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.739 -14.563 8.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.800 -16.361 5.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.830 -15.806 8.997 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.904 -16.718 7.512 1.00 0.00 H new ATOM 987 N ILE A 63 5.466 -10.200 6.764 1.00 0.00 N ATOM 988 CA ILE A 63 6.671 -9.428 7.126 1.00 0.00 C ATOM 989 C ILE A 63 7.016 -9.705 8.583 1.00 0.00 C ATOM 990 O ILE A 63 6.145 -10.120 9.347 1.00 0.00 O ATOM 991 CB ILE A 63 6.467 -7.880 6.923 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.358 -7.331 7.862 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.137 -7.542 5.449 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.279 -5.827 7.925 1.00 0.00 C ATOM 0 H ILE A 63 4.630 -9.930 7.282 1.00 0.00 H new ATOM 0 HA ILE A 63 7.482 -9.742 6.469 1.00 0.00 H new ATOM 0 HB ILE A 63 7.408 -7.395 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.395 -7.719 7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.528 -7.716 8.868 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.002 -6.465 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.956 -7.869 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.220 -8.053 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.478 -5.533 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.226 -5.428 8.287 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.075 -5.431 6.930 1.00 0.00 H new ATOM 1006 N ARG A 64 8.294 -9.520 8.952 1.00 0.00 N ATOM 1007 CA ARG A 64 8.719 -9.478 10.367 1.00 0.00 C ATOM 1008 C ARG A 64 7.914 -8.389 11.115 1.00 0.00 C ATOM 1009 O ARG A 64 7.601 -7.344 10.521 1.00 0.00 O ATOM 1010 CB ARG A 64 10.268 -9.220 10.441 1.00 0.00 C ATOM 1011 CG ARG A 64 10.977 -9.733 11.730 1.00 0.00 C ATOM 1012 CD ARG A 64 10.750 -8.864 12.981 1.00 0.00 C ATOM 1013 NE ARG A 64 11.214 -9.527 14.215 1.00 0.00 N ATOM 1014 CZ ARG A 64 11.457 -8.908 15.378 1.00 0.00 C ATOM 1015 NH1 ARG A 64 11.362 -7.586 15.489 1.00 0.00 N ATOM 1016 NH2 ARG A 64 11.810 -9.617 16.433 1.00 0.00 N ATOM 0 H ARG A 64 9.058 -9.396 8.287 1.00 0.00 H new ATOM 0 HA ARG A 64 8.517 -10.433 10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.738 -9.691 9.578 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.444 -8.148 10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.631 -10.745 11.940 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.048 -9.796 11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.274 -7.916 12.862 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.689 -8.633 13.072 1.00 0.00 H new ATOM 0 HE ARG A 64 11.361 -10.536 14.180 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.100 -7.024 14.679 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.551 -7.134 16.384 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.897 -10.631 16.360 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.996 -9.151 17.321 1.00 0.00 H new ATOM 1030 N TYR A 65 7.584 -8.669 12.400 1.00 0.00 N ATOM 1031 CA TYR A 65 6.780 -7.785 13.272 1.00 0.00 C ATOM 1032 C TYR A 65 7.240 -6.316 13.173 1.00 0.00 C ATOM 1033 O TYR A 65 8.423 -6.004 13.377 1.00 0.00 O ATOM 1034 CB TYR A 65 6.849 -8.280 14.740 1.00 0.00 C ATOM 1035 CG TYR A 65 5.880 -7.551 15.683 1.00 0.00 C ATOM 1036 CD1 TYR A 65 4.552 -7.971 15.811 1.00 0.00 C ATOM 1037 CD2 TYR A 65 6.283 -6.444 16.435 1.00 0.00 C ATOM 1038 CE1 TYR A 65 3.672 -7.312 16.647 1.00 0.00 C ATOM 1039 CE2 TYR A 65 5.409 -5.791 17.263 1.00 0.00 C ATOM 1040 CZ TYR A 65 4.111 -6.227 17.375 1.00 0.00 C ATOM 1041 OH TYR A 65 3.246 -5.565 18.214 1.00 0.00 O ATOM 0 H TYR A 65 7.875 -9.529 12.864 1.00 0.00 H new ATOM 0 HA TYR A 65 5.746 -7.826 12.930 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.632 -9.348 14.765 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.867 -8.153 15.110 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.209 -8.825 15.246 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.303 -6.097 16.362 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.648 -7.644 16.730 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.740 -4.933 17.828 1.00 0.00 H new ATOM 0 HH TYR A 65 3.747 -5.178 18.962 1.00 0.00 H new ATOM 1051 N ARG A 66 6.289 -5.426 12.845 1.00 0.00 N ATOM 1052 CA ARG A 66 6.570 -4.036 12.505 1.00 0.00 C ATOM 1053 C ARG A 66 5.359 -3.158 12.881 1.00 0.00 C ATOM 1054 O ARG A 66 4.274 -3.327 12.320 1.00 0.00 O ATOM 1055 CB ARG A 66 6.883 -3.934 10.984 1.00 0.00 C ATOM 1056 CG ARG A 66 7.451 -2.576 10.508 1.00 0.00 C ATOM 1057 CD ARG A 66 8.918 -2.318 10.935 1.00 0.00 C ATOM 1058 NE ARG A 66 9.094 -2.116 12.387 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.263 -2.109 13.038 1.00 0.00 C ATOM 1060 NH1 ARG A 66 11.405 -2.308 12.405 1.00 0.00 N ATOM 1061 NH2 ARG A 66 10.268 -1.895 14.337 1.00 0.00 N ATOM 0 H ARG A 66 5.297 -5.661 12.810 1.00 0.00 H new ATOM 0 HA ARG A 66 7.436 -3.681 13.063 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.596 -4.717 10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.968 -4.140 10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.387 -2.529 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.824 -1.775 10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.531 -3.162 10.619 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.290 -1.439 10.409 1.00 0.00 H new ATOM 0 HE ARG A 66 8.251 -1.969 12.942 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.408 -2.472 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.284 -2.298 12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.390 -1.738 14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.150 -1.886 14.849 1.00 0.00 H new ATOM 1075 N LYS A 67 5.560 -2.229 13.839 1.00 0.00 N ATOM 1076 CA LYS A 67 4.517 -1.275 14.313 1.00 0.00 C ATOM 1077 C LYS A 67 4.441 -0.015 13.407 1.00 0.00 C ATOM 1078 O LYS A 67 3.735 0.942 13.730 1.00 0.00 O ATOM 1079 CB LYS A 67 4.824 -0.852 15.784 1.00 0.00 C ATOM 1080 CG LYS A 67 4.882 -2.017 16.801 1.00 0.00 C ATOM 1081 CD LYS A 67 5.456 -1.574 18.172 1.00 0.00 C ATOM 1082 CE LYS A 67 5.625 -2.737 19.160 1.00 0.00 C ATOM 1083 NZ LYS A 67 6.264 -2.309 20.427 1.00 0.00 N ATOM 0 H LYS A 67 6.455 -2.113 14.313 1.00 0.00 H new ATOM 0 HA LYS A 67 3.551 -1.779 14.266 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.778 -0.325 15.803 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.062 -0.144 16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.880 -2.422 16.943 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.496 -2.820 16.395 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.422 -1.094 18.016 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.796 -0.826 18.611 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.649 -3.172 19.376 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.227 -3.519 18.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.357 -3.127 21.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.206 -1.918 20.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.677 -1.581 20.883 1.00 0.00 H new ATOM 1097 N ASP A 68 5.164 -0.045 12.267 1.00 0.00 N ATOM 1098 CA ASP A 68 5.328 1.107 11.344 1.00 0.00 C ATOM 1099 C ASP A 68 4.284 1.075 10.204 1.00 0.00 C ATOM 1100 O ASP A 68 3.930 2.116 9.636 1.00 0.00 O ATOM 1101 CB ASP A 68 6.775 1.074 10.762 1.00 0.00 C ATOM 1102 CG ASP A 68 7.051 2.119 9.660 1.00 0.00 C ATOM 1103 OD1 ASP A 68 7.248 3.312 9.986 1.00 0.00 O ATOM 1104 OD2 ASP A 68 7.094 1.744 8.464 1.00 0.00 O ATOM 0 H ASP A 68 5.659 -0.880 11.954 1.00 0.00 H new ATOM 0 HA ASP A 68 5.167 2.032 11.897 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.483 1.229 11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.967 0.080 10.358 1.00 0.00 H new ATOM 1109 N ILE A 69 3.767 -0.124 9.902 1.00 0.00 N ATOM 1110 CA ILE A 69 2.929 -0.353 8.712 1.00 0.00 C ATOM 1111 C ILE A 69 1.518 0.221 8.905 1.00 0.00 C ATOM 1112 O ILE A 69 0.854 -0.079 9.898 1.00 0.00 O ATOM 1113 CB ILE A 69 2.820 -1.882 8.368 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.232 -2.539 8.371 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.083 -2.117 7.015 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.254 -1.913 7.434 1.00 0.00 C ATOM 0 H ILE A 69 3.915 -0.958 10.470 1.00 0.00 H new ATOM 0 HA ILE A 69 3.416 0.162 7.884 1.00 0.00 H new ATOM 0 HB ILE A 69 2.219 -2.361 9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.627 -2.502 9.386 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.123 -3.591 8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.028 -3.186 6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.075 -1.706 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.630 -1.623 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.200 -2.448 7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.892 -1.974 6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.404 -0.868 7.705 1.00 0.00 H new ATOM 1128 N ASN A 70 1.084 1.059 7.953 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.291 1.576 7.888 1.00 0.00 C ATOM 1130 C ASN A 70 -0.897 1.180 6.534 1.00 0.00 C ATOM 1131 O ASN A 70 -0.165 0.932 5.578 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.317 3.117 8.075 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.735 3.656 8.288 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.427 4.023 7.343 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.189 3.668 9.530 1.00 0.00 N ATOM 0 H ASN A 70 1.682 1.400 7.200 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.881 1.144 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.303 3.387 8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.122 3.594 7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.138 3.988 9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.590 3.357 10.295 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.232 1.151 6.464 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.970 0.716 5.272 1.00 0.00 C ATOM 1144 C ALA A 71 -2.930 1.760 4.132 1.00 0.00 C ATOM 1145 O ALA A 71 -3.289 1.445 2.991 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.409 0.365 5.659 1.00 0.00 C ATOM 0 H ALA A 71 -2.835 1.430 7.238 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.477 -0.173 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.956 0.042 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.402 -0.440 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.895 1.242 6.086 1.00 0.00 H new ATOM 1152 N THR A 72 -2.499 3.001 4.444 1.00 0.00 N ATOM 1153 CA THR A 72 -2.274 4.051 3.426 1.00 0.00 C ATOM 1154 C THR A 72 -0.957 3.813 2.673 1.00 0.00 C ATOM 1155 O THR A 72 -0.790 4.288 1.547 1.00 0.00 O ATOM 1156 CB THR A 72 -2.266 5.481 4.059 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.348 5.528 5.168 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.663 5.905 4.528 1.00 0.00 C ATOM 0 H THR A 72 -2.299 3.302 5.398 1.00 0.00 H new ATOM 0 HA THR A 72 -3.104 3.993 2.722 1.00 0.00 H new ATOM 0 HB THR A 72 -1.945 6.179 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.749 5.082 5.943 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.614 6.904 4.961 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.346 5.911 3.678 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.024 5.201 5.278 1.00 0.00 H new ATOM 1166 N SER A 73 -0.023 3.091 3.319 1.00 0.00 N ATOM 1167 CA SER A 73 1.260 2.706 2.715 1.00 0.00 C ATOM 1168 C SER A 73 1.055 1.597 1.667 1.00 0.00 C ATOM 1169 O SER A 73 0.062 0.858 1.716 1.00 0.00 O ATOM 1170 CB SER A 73 2.236 2.225 3.814 1.00 0.00 C ATOM 1171 OG SER A 73 2.367 3.188 4.849 1.00 0.00 O ATOM 0 H SER A 73 -0.140 2.759 4.276 1.00 0.00 H new ATOM 0 HA SER A 73 1.685 3.577 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.879 1.284 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.213 2.027 3.374 1.00 0.00 H new ATOM 0 HG SER A 73 2.989 2.855 5.529 1.00 0.00 H new ATOM 1177 N ARG A 74 1.986 1.511 0.707 1.00 0.00 N ATOM 1178 CA ARG A 74 2.035 0.421 -0.276 1.00 0.00 C ATOM 1179 C ARG A 74 3.294 -0.419 -0.042 1.00 0.00 C ATOM 1180 O ARG A 74 4.213 -0.006 0.665 1.00 0.00 O ATOM 1181 CB ARG A 74 2.036 0.970 -1.728 1.00 0.00 C ATOM 1182 CG ARG A 74 0.816 1.835 -2.086 1.00 0.00 C ATOM 1183 CD ARG A 74 0.820 2.276 -3.563 1.00 0.00 C ATOM 1184 NE ARG A 74 2.049 2.996 -3.957 1.00 0.00 N ATOM 1185 CZ ARG A 74 2.258 3.567 -5.148 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.303 3.627 -6.065 1.00 0.00 N ATOM 1187 NH2 ARG A 74 3.421 4.111 -5.400 1.00 0.00 N ATOM 0 H ARG A 74 2.730 2.199 0.590 1.00 0.00 H new ATOM 0 HA ARG A 74 1.145 -0.196 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.940 1.560 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.085 0.129 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.096 1.275 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.800 2.717 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.703 1.397 -4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.042 2.917 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 74 2.797 3.063 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.383 3.232 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.488 4.068 -6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.155 4.096 -4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.594 4.550 -6.304 1.00 0.00 H new ATOM 1201 N ILE A 75 3.281 -1.616 -0.610 1.00 0.00 N ATOM 1202 CA ILE A 75 4.420 -2.527 -0.672 1.00 0.00 C ATOM 1203 C ILE A 75 4.865 -2.640 -2.141 1.00 0.00 C ATOM 1204 O ILE A 75 4.048 -2.907 -3.013 1.00 0.00 O ATOM 1205 CB ILE A 75 4.043 -3.964 -0.115 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.918 -3.983 1.456 1.00 0.00 C ATOM 1207 CG2 ILE A 75 5.042 -5.038 -0.605 1.00 0.00 C ATOM 1208 CD1 ILE A 75 2.682 -3.305 2.037 1.00 0.00 C ATOM 0 H ILE A 75 2.447 -1.996 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 75 5.226 -2.134 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 75 3.060 -4.208 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.929 -5.021 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.802 -3.504 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.755 -6.011 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.031 -5.075 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.045 -4.786 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.703 -3.380 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.672 -2.255 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.786 -3.795 1.657 1.00 0.00 H new ATOM 1220 N LYS A 76 6.145 -2.406 -2.404 1.00 0.00 N ATOM 1221 CA LYS A 76 6.781 -2.721 -3.688 1.00 0.00 C ATOM 1222 C LYS A 76 7.895 -3.733 -3.415 1.00 0.00 C ATOM 1223 O LYS A 76 8.851 -3.415 -2.704 1.00 0.00 O ATOM 1224 CB LYS A 76 7.349 -1.448 -4.342 1.00 0.00 C ATOM 1225 CG LYS A 76 8.064 -1.664 -5.694 1.00 0.00 C ATOM 1226 CD LYS A 76 8.745 -0.376 -6.210 1.00 0.00 C ATOM 1227 CE LYS A 76 9.843 0.146 -5.251 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.490 1.386 -5.740 1.00 0.00 N ATOM 0 H LYS A 76 6.783 -1.987 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 76 6.050 -3.139 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.533 -0.740 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.051 -0.985 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.812 -2.449 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.342 -2.012 -6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.185 -0.570 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.991 0.399 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.404 0.333 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.601 -0.626 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.651 2.032 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.401 1.151 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.873 1.847 -6.439 1.00 0.00 H new ATOM 1242 N VAL A 77 7.755 -4.943 -3.968 1.00 0.00 N ATOM 1243 CA VAL A 77 8.624 -6.083 -3.632 1.00 0.00 C ATOM 1244 C VAL A 77 10.078 -5.832 -4.107 1.00 0.00 C ATOM 1245 O VAL A 77 10.349 -5.794 -5.309 1.00 0.00 O ATOM 1246 CB VAL A 77 8.056 -7.416 -4.243 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.897 -8.641 -3.835 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.578 -7.622 -3.850 1.00 0.00 C ATOM 0 H VAL A 77 7.038 -5.162 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 77 8.640 -6.187 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 77 8.117 -7.320 -5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.469 -9.540 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.920 -8.514 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.897 -8.737 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.212 -8.551 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.494 -7.673 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.983 -6.788 -4.221 1.00 0.00 H new ATOM 1258 N SER A 78 10.980 -5.631 -3.129 1.00 0.00 N ATOM 1259 CA SER A 78 12.416 -5.363 -3.354 1.00 0.00 C ATOM 1260 C SER A 78 13.147 -6.623 -3.876 1.00 0.00 C ATOM 1261 O SER A 78 14.163 -6.518 -4.567 1.00 0.00 O ATOM 1262 CB SER A 78 13.047 -4.863 -2.033 1.00 0.00 C ATOM 1263 OG SER A 78 14.405 -4.483 -2.183 1.00 0.00 O ATOM 0 H SER A 78 10.728 -5.650 -2.141 1.00 0.00 H new ATOM 0 HA SER A 78 12.520 -4.594 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.475 -4.013 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.975 -5.649 -1.281 1.00 0.00 H new ATOM 0 HG SER A 78 14.843 -4.482 -1.306 1.00 0.00 H new ATOM 1269 N THR A 79 12.607 -7.800 -3.517 1.00 0.00 N ATOM 1270 CA THR A 79 13.065 -9.105 -4.025 1.00 0.00 C ATOM 1271 C THR A 79 12.012 -10.158 -3.665 1.00 0.00 C ATOM 1272 O THR A 79 11.443 -10.115 -2.568 1.00 0.00 O ATOM 1273 CB THR A 79 14.483 -9.520 -3.482 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.981 -10.660 -4.201 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.486 -9.837 -1.977 1.00 0.00 C ATOM 0 H THR A 79 11.831 -7.873 -2.859 1.00 0.00 H new ATOM 0 HA THR A 79 13.179 -9.029 -5.106 1.00 0.00 H new ATOM 0 HB THR A 79 15.131 -8.657 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.864 -10.906 -3.854 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.493 -10.116 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.165 -8.957 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.803 -10.663 -1.778 1.00 0.00 H new ATOM 1283 N GLY A 80 11.714 -11.062 -4.609 1.00 0.00 N ATOM 1284 CA GLY A 80 10.684 -12.084 -4.415 1.00 0.00 C ATOM 1285 C GLY A 80 10.093 -12.566 -5.733 1.00 0.00 C ATOM 1286 O GLY A 80 10.684 -12.328 -6.796 1.00 0.00 O ATOM 0 H GLY A 80 12.176 -11.103 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.112 -12.931 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.888 -11.681 -3.789 1.00 0.00 H new ATOM 1290 N PRO A 81 8.894 -13.232 -5.711 1.00 0.00 N ATOM 1291 CA PRO A 81 8.235 -13.760 -6.936 1.00 0.00 C ATOM 1292 C PRO A 81 7.562 -12.635 -7.755 1.00 0.00 C ATOM 1293 O PRO A 81 7.181 -12.834 -8.913 1.00 0.00 O ATOM 1294 CB PRO A 81 7.196 -14.749 -6.359 1.00 0.00 C ATOM 1295 CG PRO A 81 6.800 -14.122 -5.055 1.00 0.00 C ATOM 1296 CD PRO A 81 8.071 -13.511 -4.492 1.00 0.00 C ATOM 0 HA PRO A 81 8.931 -14.224 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.340 -14.865 -7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.624 -15.741 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.032 -13.363 -5.203 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.387 -14.865 -4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.864 -12.600 -3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.579 -14.196 -3.813 1.00 0.00 H new ATOM 1304 N LEU A 82 7.413 -11.460 -7.118 1.00 0.00 N ATOM 1305 CA LEU A 82 6.789 -10.272 -7.706 1.00 0.00 C ATOM 1306 C LEU A 82 7.770 -9.086 -7.612 1.00 0.00 C ATOM 1307 O LEU A 82 7.351 -7.936 -7.465 1.00 0.00 O ATOM 1308 CB LEU A 82 5.462 -9.961 -6.946 1.00 0.00 C ATOM 1309 CG LEU A 82 4.396 -11.106 -6.906 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.154 -10.679 -6.101 1.00 0.00 C ATOM 1311 CD2 LEU A 82 4.002 -11.574 -8.328 1.00 0.00 C ATOM 0 H LEU A 82 7.731 -11.312 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 82 6.555 -10.446 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.712 -9.691 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.004 -9.084 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 82 4.853 -11.956 -6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.430 -11.494 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.447 -10.440 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.705 -9.801 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.260 -12.369 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.583 -10.735 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.885 -11.947 -8.846 1.00 0.00 H new ATOM 1323 N ALA A 83 9.087 -9.390 -7.709 1.00 0.00 N ATOM 1324 CA ALA A 83 10.174 -8.396 -7.556 1.00 0.00 C ATOM 1325 C ALA A 83 10.084 -7.288 -8.630 1.00 0.00 C ATOM 1326 O ALA A 83 10.431 -7.513 -9.795 1.00 0.00 O ATOM 1327 CB ALA A 83 11.544 -9.102 -7.602 1.00 0.00 C ATOM 0 H ALA A 83 9.425 -10.334 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 83 10.061 -7.913 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.338 -8.364 -7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.606 -9.829 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.658 -9.613 -8.558 1.00 0.00 H new ATOM 1333 N GLY A 84 9.571 -6.108 -8.229 1.00 0.00 N ATOM 1334 CA GLY A 84 9.415 -4.964 -9.142 1.00 0.00 C ATOM 1335 C GLY A 84 7.966 -4.520 -9.304 1.00 0.00 C ATOM 1336 O GLY A 84 7.693 -3.570 -10.045 1.00 0.00 O ATOM 0 H GLY A 84 9.258 -5.924 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.006 -4.127 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.819 -5.229 -10.119 1.00 0.00 H new ATOM 1340 N ARG A 85 7.035 -5.200 -8.613 1.00 0.00 N ATOM 1341 CA ARG A 85 5.582 -4.896 -8.673 1.00 0.00 C ATOM 1342 C ARG A 85 5.132 -4.215 -7.373 1.00 0.00 C ATOM 1343 O ARG A 85 5.789 -4.355 -6.336 1.00 0.00 O ATOM 1344 CB ARG A 85 4.782 -6.201 -8.925 1.00 0.00 C ATOM 1345 CG ARG A 85 5.300 -6.996 -10.138 1.00 0.00 C ATOM 1346 CD ARG A 85 4.619 -8.353 -10.314 1.00 0.00 C ATOM 1347 NE ARG A 85 3.272 -8.269 -10.911 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.799 -9.093 -11.858 1.00 0.00 C ATOM 1349 NH1 ARG A 85 3.544 -10.091 -12.322 1.00 0.00 N ATOM 1350 NH2 ARG A 85 1.588 -8.919 -12.339 1.00 0.00 N ATOM 0 H ARG A 85 7.262 -5.978 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 85 5.389 -4.210 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.833 -6.830 -8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.732 -5.953 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.151 -6.404 -11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.374 -7.149 -10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.246 -8.985 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.546 -8.841 -9.342 1.00 0.00 H new ATOM 0 HE ARG A 85 2.654 -7.529 -10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.486 -10.237 -11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.174 -10.711 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.006 -8.156 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.230 -9.547 -13.059 1.00 0.00 H new ATOM 1364 N VAL A 86 3.978 -3.527 -7.430 1.00 0.00 N ATOM 1365 CA VAL A 86 3.521 -2.619 -6.350 1.00 0.00 C ATOM 1366 C VAL A 86 2.094 -3.001 -5.861 1.00 0.00 C ATOM 1367 O VAL A 86 1.066 -2.746 -6.511 1.00 0.00 O ATOM 1368 CB VAL A 86 3.644 -1.096 -6.766 1.00 0.00 C ATOM 1369 CG1 VAL A 86 2.789 -0.739 -8.015 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.353 -0.151 -5.565 1.00 0.00 C ATOM 0 H VAL A 86 3.335 -3.581 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 86 4.189 -2.750 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 86 4.681 -0.937 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.914 0.318 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.114 -1.342 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.739 -0.942 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.447 0.886 -5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.341 -0.328 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.067 -0.348 -4.765 1.00 0.00 H new ATOM 1380 N LEU A 87 2.086 -3.698 -4.719 1.00 0.00 N ATOM 1381 CA LEU A 87 0.884 -4.162 -4.027 1.00 0.00 C ATOM 1382 C LEU A 87 0.388 -3.089 -3.043 1.00 0.00 C ATOM 1383 O LEU A 87 1.133 -2.623 -2.193 1.00 0.00 O ATOM 1384 CB LEU A 87 1.156 -5.494 -3.269 1.00 0.00 C ATOM 1385 CG LEU A 87 1.779 -6.675 -4.088 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.074 -6.884 -5.438 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.301 -6.521 -4.263 1.00 0.00 C ATOM 0 H LEU A 87 2.946 -3.962 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 87 0.112 -4.344 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.821 -5.276 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.213 -5.839 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 87 1.613 -7.577 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.542 -7.713 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.021 -7.110 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.158 -5.977 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.688 -7.363 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.514 -5.592 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.779 -6.499 -3.284 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.868 -2.693 -3.195 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.537 -1.715 -2.331 1.00 0.00 C ATOM 1401 C ASN A 88 -2.359 -2.478 -1.285 1.00 0.00 C ATOM 1402 O ASN A 88 -2.991 -3.488 -1.622 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.477 -0.802 -3.169 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.803 -0.014 -4.303 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.865 -0.618 -5.028 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.169 1.131 -4.563 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.469 -3.048 -3.939 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.791 -1.086 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.265 -1.420 -3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.960 -0.093 -2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.890 1.577 -3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.752 1.634 -5.346 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.404 -1.973 -0.041 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.026 -2.695 1.091 1.00 0.00 C ATOM 1415 C ILE A 89 -4.562 -2.566 1.016 1.00 0.00 C ATOM 1416 O ILE A 89 -5.098 -1.451 1.088 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.507 -2.155 2.484 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.951 -2.267 2.564 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.181 -2.895 3.680 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.326 -1.716 3.841 1.00 0.00 C ATOM 0 H ILE A 89 -2.016 -1.064 0.211 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.742 -3.745 1.014 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.786 -1.104 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.673 -3.316 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.520 -1.742 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.797 -2.495 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.260 -2.748 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.957 -3.960 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.756 -1.840 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.566 -0.657 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.721 -2.256 4.702 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.257 -3.710 0.856 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.733 -3.766 0.830 1.00 0.00 C ATOM 1434 C ILE A 90 -7.261 -4.276 2.184 1.00 0.00 C ATOM 1435 O ILE A 90 -7.722 -5.415 2.320 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.283 -4.625 -0.383 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.608 -6.037 -0.456 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -7.099 -3.854 -1.705 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -7.242 -7.006 -1.444 1.00 0.00 C ATOM 0 H ILE A 90 -4.812 -4.620 0.741 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.107 -2.755 0.671 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.347 -4.792 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.559 -5.908 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.633 -6.486 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.480 -4.453 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.646 -2.913 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.040 -3.650 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.704 -7.954 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.284 -7.173 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.193 -6.586 -2.448 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.136 -3.415 3.196 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.595 -3.722 4.544 1.00 0.00 C ATOM 1453 C GLY A 91 -6.780 -2.984 5.579 1.00 0.00 C ATOM 1454 O GLY A 91 -6.811 -1.752 5.611 1.00 0.00 O ATOM 0 H GLY A 91 -6.715 -2.491 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.646 -3.451 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.525 -4.795 4.719 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.025 -3.737 6.396 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.226 -3.191 7.504 1.00 0.00 C ATOM 1460 C GLN A 92 -4.246 -4.268 8.009 1.00 0.00 C ATOM 1461 O GLN A 92 -4.624 -5.443 8.067 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.156 -2.705 8.653 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.157 -3.759 9.185 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.115 -3.221 10.248 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -8.465 -2.041 10.254 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.571 -4.087 11.136 1.00 0.00 N ATOM 0 H GLN A 92 -5.952 -4.750 6.305 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.654 -2.333 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.535 -2.367 9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.718 -1.839 8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.738 -4.148 8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.599 -4.597 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.263 -5.059 11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.231 -3.784 11.852 1.00 0.00 H new ATOM 1475 N PRO A 93 -2.986 -3.889 8.407 1.00 0.00 N ATOM 1476 CA PRO A 93 -1.947 -4.868 8.841 1.00 0.00 C ATOM 1477 C PRO A 93 -2.398 -5.690 10.077 1.00 0.00 C ATOM 1478 O PRO A 93 -2.715 -5.126 11.131 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.714 -3.968 9.140 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.285 -2.611 9.410 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.473 -2.486 8.488 1.00 0.00 C ATOM 0 HA PRO A 93 -1.737 -5.628 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.153 -4.339 9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.026 -3.946 8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.585 -2.511 10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.551 -1.830 9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.224 -1.804 8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.185 -2.104 7.508 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.445 -7.024 9.912 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.042 -7.966 10.887 1.00 0.00 C ATOM 1491 C LEU A 94 -1.908 -8.830 11.516 1.00 0.00 C ATOM 1492 O LEU A 94 -1.356 -9.682 10.829 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.117 -8.852 10.135 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.255 -9.544 10.978 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.725 -10.619 11.949 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.128 -8.500 11.710 1.00 0.00 C ATOM 0 H LEU A 94 -2.065 -7.489 9.087 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.543 -7.435 11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.598 -8.223 9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.582 -9.635 9.598 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.886 -10.070 10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.559 -11.056 12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.214 -11.399 11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.027 -10.163 12.651 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.903 -9.010 12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.505 -7.914 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.593 -7.838 10.979 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.538 -8.625 12.827 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.482 -9.435 13.506 1.00 0.00 C ATOM 1510 C PRO A 95 -0.940 -10.876 13.834 1.00 0.00 C ATOM 1511 O PRO A 95 -2.136 -11.142 14.001 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.189 -8.618 14.791 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.489 -7.928 15.092 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.091 -7.583 13.740 1.00 0.00 C ATOM 0 HA PRO A 95 0.394 -9.583 12.875 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.119 -9.265 15.613 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.616 -7.900 14.632 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.154 -8.576 15.663 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.327 -7.031 15.690 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.180 -7.613 13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.808 -6.580 13.420 1.00 0.00 H new ATOM 1522 N ASP A 96 0.032 -11.801 13.921 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.229 -13.224 14.240 1.00 0.00 C ATOM 1524 C ASP A 96 -0.316 -13.427 15.765 1.00 0.00 C ATOM 1525 O ASP A 96 0.015 -12.520 16.522 1.00 0.00 O ATOM 1526 CB ASP A 96 0.888 -14.114 13.642 1.00 0.00 C ATOM 1527 CG ASP A 96 2.225 -14.022 14.400 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.748 -12.903 14.572 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.751 -15.064 14.829 1.00 0.00 O ATOM 0 H ASP A 96 1.019 -11.589 13.773 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.183 -13.512 13.800 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.552 -15.151 13.640 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.050 -13.829 12.602 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.705 -14.644 16.190 1.00 0.00 N ATOM 1535 CA ALA A 97 -0.883 -15.003 17.616 1.00 0.00 C ATOM 1536 C ALA A 97 0.450 -14.985 18.394 1.00 0.00 C ATOM 1537 O ALA A 97 0.477 -14.641 19.582 1.00 0.00 O ATOM 1538 CB ALA A 97 -1.564 -16.383 17.728 1.00 0.00 C ATOM 0 H ALA A 97 -0.907 -15.413 15.552 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.523 -14.247 18.072 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.692 -16.641 18.779 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.539 -16.348 17.242 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.943 -17.136 17.243 1.00 0.00 H new ATOM 1544 N ALA A 98 1.554 -15.343 17.711 1.00 0.00 N ATOM 1545 CA ALA A 98 2.902 -15.382 18.323 1.00 0.00 C ATOM 1546 C ALA A 98 3.562 -13.987 18.336 1.00 0.00 C ATOM 1547 O ALA A 98 4.625 -13.815 18.944 1.00 0.00 O ATOM 1548 CB ALA A 98 3.800 -16.402 17.597 1.00 0.00 C ATOM 0 H ALA A 98 1.541 -15.612 16.727 1.00 0.00 H new ATOM 0 HA ALA A 98 2.783 -15.699 19.359 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.786 -16.415 18.062 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.353 -17.394 17.666 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.897 -16.120 16.549 1.00 0.00 H new ATOM 1554 N ARG A 99 2.931 -13.009 17.635 1.00 0.00 N ATOM 1555 CA ARG A 99 3.351 -11.581 17.602 1.00 0.00 C ATOM 1556 C ARG A 99 4.785 -11.433 17.030 1.00 0.00 C ATOM 1557 O ARG A 99 5.505 -10.481 17.349 1.00 0.00 O ATOM 1558 CB ARG A 99 3.223 -10.917 19.015 1.00 0.00 C ATOM 1559 CG ARG A 99 1.872 -11.156 19.737 1.00 0.00 C ATOM 1560 CD ARG A 99 0.644 -10.652 18.963 1.00 0.00 C ATOM 1561 NE ARG A 99 -0.616 -11.022 19.641 1.00 0.00 N ATOM 1562 CZ ARG A 99 -1.798 -11.233 19.036 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.928 -11.126 17.724 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -2.842 -11.567 19.769 1.00 0.00 N ATOM 0 H ARG A 99 2.103 -13.192 17.068 1.00 0.00 H new ATOM 0 HA ARG A 99 2.674 -11.050 16.932 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.027 -11.292 19.649 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.375 -9.843 18.909 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.757 -12.224 19.923 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.901 -10.664 20.709 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.698 -9.568 18.860 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.652 -11.069 17.956 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.586 -11.126 20.655 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.122 -10.879 17.150 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.834 -11.291 17.286 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.746 -11.662 20.780 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.746 -11.730 19.325 1.00 0.00 H new ATOM 1578 N THR A 100 5.165 -12.375 16.156 1.00 0.00 N ATOM 1579 CA THR A 100 6.504 -12.435 15.545 1.00 0.00 C ATOM 1580 C THR A 100 6.474 -11.875 14.105 1.00 0.00 C ATOM 1581 O THR A 100 7.531 -11.693 13.484 1.00 0.00 O ATOM 1582 CB THR A 100 7.056 -13.906 15.555 1.00 0.00 C ATOM 1583 OG1 THR A 100 8.380 -13.964 14.993 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.130 -14.876 14.801 1.00 0.00 C ATOM 0 H THR A 100 4.546 -13.126 15.849 1.00 0.00 H new ATOM 0 HA THR A 100 7.175 -11.815 16.139 1.00 0.00 H new ATOM 0 HB THR A 100 7.095 -14.218 16.599 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.489 -13.244 14.338 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.551 -15.881 14.834 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.146 -14.879 15.271 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.035 -14.556 13.763 1.00 0.00 H new ATOM 1592 N ARG A 101 5.271 -11.540 13.599 1.00 0.00 N ATOM 1593 CA ARG A 101 5.079 -11.123 12.202 1.00 0.00 C ATOM 1594 C ARG A 101 3.762 -10.349 12.037 1.00 0.00 C ATOM 1595 O ARG A 101 2.825 -10.497 12.832 1.00 0.00 O ATOM 1596 CB ARG A 101 5.100 -12.352 11.238 1.00 0.00 C ATOM 1597 CG ARG A 101 4.103 -13.469 11.613 1.00 0.00 C ATOM 1598 CD ARG A 101 3.695 -14.372 10.444 1.00 0.00 C ATOM 1599 NE ARG A 101 4.830 -15.063 9.808 1.00 0.00 N ATOM 1600 CZ ARG A 101 4.840 -16.356 9.433 1.00 0.00 C ATOM 1601 NH1 ARG A 101 3.827 -17.166 9.741 1.00 0.00 N ATOM 1602 NH2 ARG A 101 5.880 -16.837 8.784 1.00 0.00 N ATOM 0 H ARG A 101 4.411 -11.552 14.147 1.00 0.00 H new ATOM 0 HA ARG A 101 5.907 -10.465 11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.881 -12.010 10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.107 -12.770 11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.545 -14.086 12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.207 -13.013 12.034 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.982 -15.115 10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.180 -13.771 9.694 1.00 0.00 H new ATOM 0 HE ARG A 101 5.676 -14.518 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.030 -16.808 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.849 -18.143 9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.672 -16.231 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.894 -17.816 8.497 1.00 0.00 H new ATOM 1616 N LEU A 102 3.718 -9.511 10.997 1.00 0.00 N ATOM 1617 CA LEU A 102 2.502 -8.821 10.546 1.00 0.00 C ATOM 1618 C LEU A 102 2.063 -9.450 9.211 1.00 0.00 C ATOM 1619 O LEU A 102 2.787 -9.361 8.214 1.00 0.00 O ATOM 1620 CB LEU A 102 2.768 -7.281 10.394 1.00 0.00 C ATOM 1621 CG LEU A 102 2.369 -6.358 11.593 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.844 -6.247 11.731 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.996 -6.822 12.918 1.00 0.00 C ATOM 0 H LEU A 102 4.539 -9.288 10.434 1.00 0.00 H new ATOM 0 HA LEU A 102 1.705 -8.936 11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.832 -7.141 10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.235 -6.933 9.509 1.00 0.00 H new ATOM 0 HG LEU A 102 2.768 -5.369 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.601 -5.599 12.573 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.426 -5.826 10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.421 -7.237 11.901 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.690 -6.150 13.720 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.661 -7.834 13.144 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.082 -6.811 12.830 1.00 0.00 H new ATOM 1635 N GLU A 103 0.911 -10.132 9.213 1.00 0.00 N ATOM 1636 CA GLU A 103 0.292 -10.652 7.989 1.00 0.00 C ATOM 1637 C GLU A 103 -0.388 -9.484 7.255 1.00 0.00 C ATOM 1638 O GLU A 103 -1.410 -8.959 7.722 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.744 -11.746 8.340 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.426 -12.402 7.121 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.485 -13.464 7.479 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -2.381 -14.099 8.546 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -3.429 -13.681 6.682 1.00 0.00 O ATOM 0 H GLU A 103 0.383 -10.338 10.061 1.00 0.00 H new ATOM 0 HA GLU A 103 1.051 -11.099 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.249 -12.522 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.512 -11.309 8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.898 -11.624 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.661 -12.865 6.497 1.00 0.00 H new ATOM 1650 N ILE A 104 0.210 -9.045 6.139 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.300 -7.909 5.352 1.00 0.00 C ATOM 1652 C ILE A 104 -1.149 -8.459 4.195 1.00 0.00 C ATOM 1653 O ILE A 104 -0.746 -9.412 3.522 1.00 0.00 O ATOM 1654 CB ILE A 104 0.870 -7.006 4.770 1.00 0.00 C ATOM 1655 CG1 ILE A 104 1.964 -6.700 5.848 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.313 -5.689 4.168 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.474 -5.956 7.069 1.00 0.00 C ATOM 0 H ILE A 104 1.057 -9.464 5.756 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.897 -7.278 6.010 1.00 0.00 H new ATOM 0 HB ILE A 104 1.345 -7.576 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.407 -7.642 6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.758 -6.117 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.136 -5.091 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.381 -5.923 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.208 -5.127 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.306 -5.793 7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.059 -4.994 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.703 -6.543 7.568 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.324 -7.869 3.983 1.00 0.00 N ATOM 1670 CA LEU A 105 -3.232 -8.239 2.889 1.00 0.00 C ATOM 1671 C LEU A 105 -3.266 -7.082 1.888 1.00 0.00 C ATOM 1672 O LEU A 105 -3.452 -5.913 2.260 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.659 -8.625 3.407 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.526 -7.519 4.120 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.956 -8.023 4.400 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.886 -7.012 5.427 1.00 0.00 C ATOM 0 H LEU A 105 -2.679 -7.113 4.569 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.861 -9.136 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.231 -8.997 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.545 -9.456 4.103 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.572 -6.679 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.529 -7.237 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.439 -8.289 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.913 -8.900 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.526 -6.252 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.770 -7.844 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.909 -6.581 5.210 1.00 0.00 H new ATOM 1688 N CYS A 106 -3.083 -7.426 0.620 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.816 -6.467 -0.456 1.00 0.00 C ATOM 1690 C CYS A 106 -3.286 -7.034 -1.792 1.00 0.00 C ATOM 1691 O CYS A 106 -3.778 -8.152 -1.867 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.303 -6.121 -0.537 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.591 -5.420 0.964 1.00 0.00 S ATOM 0 H CYS A 106 -3.115 -8.394 0.300 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.366 -5.552 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.753 -7.027 -0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -1.152 -5.416 -1.355 1.00 0.00 H new ATOM 0 HG CYS A 106 -0.152 -4.222 0.717 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.158 -6.226 -2.827 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.329 -6.645 -4.220 1.00 0.00 C ATOM 1701 C ARG A 107 -2.640 -5.616 -5.110 1.00 0.00 C ATOM 1702 O ARG A 107 -2.371 -4.505 -4.657 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.823 -6.755 -4.607 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.589 -5.409 -4.614 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.990 -5.534 -5.227 1.00 0.00 C ATOM 1706 NE ARG A 107 -6.918 -5.943 -6.648 1.00 0.00 N ATOM 1707 CZ ARG A 107 -7.424 -7.076 -7.163 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -8.088 -7.932 -6.393 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -7.260 -7.334 -8.450 1.00 0.00 N ATOM 0 H ARG A 107 -2.927 -5.237 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.888 -7.633 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.896 -7.204 -5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.316 -7.435 -3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.675 -5.038 -3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.015 -4.671 -5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.572 -6.264 -4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.512 -4.580 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.443 -5.310 -7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.217 -7.731 -5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.468 -8.789 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.753 -6.676 -9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.640 -8.191 -8.851 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.387 -5.974 -6.370 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.792 -5.055 -7.348 1.00 0.00 C ATOM 1725 C GLU A 108 -2.683 -3.814 -7.548 1.00 0.00 C ATOM 1726 O GLU A 108 -3.922 -3.916 -7.496 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.560 -5.777 -8.689 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.641 -7.007 -8.586 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.178 -7.493 -9.955 1.00 0.00 C ATOM 1730 OE1 GLU A 108 0.670 -6.807 -10.567 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -0.676 -8.528 -10.445 1.00 0.00 O ATOM 0 H GLU A 108 -2.586 -6.903 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.829 -4.721 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.523 -6.088 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.128 -5.072 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.228 -6.760 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.169 -7.812 -8.076 1.00 0.00 H new ATOM 1738 N GLY A 109 -2.045 -2.649 -7.782 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.763 -1.389 -8.002 1.00 0.00 C ATOM 1740 C GLY A 109 -3.125 -1.228 -9.472 1.00 0.00 C ATOM 1741 O GLY A 109 -2.826 -0.201 -10.098 1.00 0.00 O ATOM 0 H GLY A 109 -1.030 -2.561 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.668 -1.369 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.145 -0.551 -7.680 1.00 0.00 H new