USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 676 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 80 ASN : amide:sc= -0.263 K(o=-1.4,f=-14!) USER MOD Set 1.2: A 83 MET CE :methyl -108:sc= -1.1 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 17 GLN : amide:sc= -0.965 K(o=-0.97,f=-2.3!) USER MOD Single : A 18 SER OG : rot 38:sc= 1.04 USER MOD Single : A 20 HIS : no HD1:sc= -0.943! C(o=-0.94!,f=-2.2!) USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= -2.39 (180deg=-4.64!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 31:sc= -0.064 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 18:sc= -1.68 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -60:sc= 0.229 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.52) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -139:sc= -3.86! (180deg=-8.17!) USER MOD Single : A 54 THR OG1 : rot 12:sc= 0.58 USER MOD Single : A 58 SER OG : rot 100:sc= -0.152 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= -4.94! (180deg=-5.95!) USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -0.134 (180deg=-1.42!) USER MOD Single : A 72 ASN : amide:sc= -0.475 K(o=-0.47,f=-3.7!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0223 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= -0.0502 (180deg=-0.324) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -17.798 -4.870 -14.291 1.00 0.00 N ATOM 160 CA LYS A 14 -16.812 -3.798 -14.361 1.00 0.00 C ATOM 161 C LYS A 14 -15.544 -4.269 -15.066 1.00 0.00 C ATOM 162 O LYS A 14 -15.459 -5.413 -15.513 1.00 0.00 O ATOM 163 CB LYS A 14 -16.470 -3.299 -12.955 1.00 0.00 C ATOM 164 CG LYS A 14 -17.436 -2.250 -12.430 1.00 0.00 C ATOM 165 CD LYS A 14 -18.638 -2.888 -11.754 1.00 0.00 C ATOM 166 CE LYS A 14 -19.768 -3.134 -12.742 1.00 0.00 C ATOM 167 NZ LYS A 14 -20.621 -4.284 -12.335 1.00 0.00 N ATOM 0 HA LYS A 14 -17.244 -2.979 -14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.460 -4.147 -12.270 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.463 -2.883 -12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.921 -1.602 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.772 -1.619 -13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -18.341 -3.832 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.990 -2.242 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.382 -2.237 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.351 -3.324 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.379 -4.419 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.041 -5.146 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.040 -4.093 -11.403 1.00 0.00 H new ATOM 181 N VAL A 15 -14.560 -3.381 -15.162 1.00 0.00 N ATOM 182 CA VAL A 15 -13.296 -3.707 -15.811 1.00 0.00 C ATOM 183 C VAL A 15 -12.112 -3.233 -14.977 1.00 0.00 C ATOM 184 O VAL A 15 -12.244 -2.338 -14.142 1.00 0.00 O ATOM 185 CB VAL A 15 -13.206 -3.077 -17.214 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.313 -3.610 -18.111 1.00 0.00 C ATOM 187 CG2 VAL A 15 -13.268 -1.560 -17.121 1.00 0.00 C ATOM 0 H VAL A 15 -14.614 -2.430 -14.798 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.260 -4.792 -15.905 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.249 -3.353 -17.656 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.233 -3.154 -19.098 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.218 -4.692 -18.203 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.282 -3.367 -17.676 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.203 -1.131 -18.121 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.209 -1.262 -16.659 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.436 -1.198 -16.516 1.00 0.00 H new ATOM 197 N THR A 16 -10.952 -3.840 -15.207 1.00 0.00 N ATOM 198 CA THR A 16 -9.743 -3.481 -14.477 1.00 0.00 C ATOM 199 C THR A 16 -9.005 -2.337 -15.163 1.00 0.00 C ATOM 200 O THR A 16 -8.886 -2.310 -16.387 1.00 0.00 O ATOM 201 CB THR A 16 -8.790 -4.684 -14.342 1.00 0.00 C ATOM 202 OG1 THR A 16 -8.655 -5.346 -15.605 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.303 -5.667 -13.301 1.00 0.00 C ATOM 0 H THR A 16 -10.825 -4.583 -15.894 1.00 0.00 H new ATOM 0 HA THR A 16 -10.057 -3.162 -13.483 1.00 0.00 H new ATOM 0 HB THR A 16 -7.817 -4.314 -14.020 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.046 -6.108 -15.511 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.614 -6.508 -13.224 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.377 -5.168 -12.335 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.287 -6.031 -13.598 1.00 0.00 H new ATOM 211 N GLN A 17 -8.510 -1.396 -14.365 1.00 0.00 N ATOM 212 CA GLN A 17 -7.783 -0.249 -14.897 1.00 0.00 C ATOM 213 C GLN A 17 -6.410 -0.126 -14.246 1.00 0.00 C ATOM 214 O GLN A 17 -6.291 -0.117 -13.021 1.00 0.00 O ATOM 215 CB GLN A 17 -8.583 1.035 -14.676 1.00 0.00 C ATOM 216 CG GLN A 17 -8.028 2.235 -15.427 1.00 0.00 C ATOM 217 CD GLN A 17 -8.672 3.539 -15.001 1.00 0.00 C ATOM 218 OE1 GLN A 17 -8.742 3.852 -13.812 1.00 0.00 O ATOM 219 NE2 GLN A 17 -9.147 4.310 -15.973 1.00 0.00 N ATOM 0 H GLN A 17 -8.599 -1.405 -13.349 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.645 -0.402 -15.967 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.615 0.868 -14.986 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.603 1.262 -13.610 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.952 2.295 -15.263 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.180 2.091 -16.497 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.068 4.012 -16.945 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.591 5.200 -15.747 1.00 0.00 H new ATOM 228 N SER A 18 -5.374 -0.031 -15.074 1.00 0.00 N ATOM 229 CA SER A 18 -4.008 0.088 -14.579 1.00 0.00 C ATOM 230 C SER A 18 -3.578 1.551 -14.515 1.00 0.00 C ATOM 231 O SER A 18 -3.210 2.145 -15.529 1.00 0.00 O ATOM 232 CB SER A 18 -3.048 -0.699 -15.474 1.00 0.00 C ATOM 233 OG SER A 18 -3.033 -0.174 -16.790 1.00 0.00 O ATOM 0 H SER A 18 -5.455 -0.034 -16.091 1.00 0.00 H new ATOM 0 HA SER A 18 -3.976 -0.326 -13.571 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.043 -0.664 -15.054 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.347 -1.747 -15.500 1.00 0.00 H new ATOM 0 HG SER A 18 -3.092 0.804 -16.753 1.00 0.00 H new ATOM 239 N ILE A 19 -3.630 2.124 -13.318 1.00 0.00 N ATOM 240 CA ILE A 19 -3.245 3.516 -13.121 1.00 0.00 C ATOM 241 C ILE A 19 -1.790 3.628 -12.681 1.00 0.00 C ATOM 242 O ILE A 19 -1.423 3.181 -11.593 1.00 0.00 O ATOM 243 CB ILE A 19 -4.141 4.205 -12.074 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.568 4.346 -12.606 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.571 5.566 -11.703 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.623 4.317 -11.522 1.00 0.00 C ATOM 0 H ILE A 19 -3.935 1.646 -12.470 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.371 4.017 -14.081 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.168 3.587 -11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.651 5.283 -13.157 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.764 3.541 -13.314 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.215 6.041 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.571 5.441 -11.287 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.518 6.193 -12.593 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.610 4.422 -11.972 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.568 3.370 -10.986 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.452 5.138 -10.826 1.00 0.00 H new ATOM 258 N HIS A 20 -0.964 4.228 -13.532 1.00 0.00 N ATOM 259 CA HIS A 20 0.453 4.400 -13.230 1.00 0.00 C ATOM 260 C HIS A 20 0.750 5.840 -12.821 1.00 0.00 C ATOM 261 O HIS A 20 0.565 6.769 -13.609 1.00 0.00 O ATOM 262 CB HIS A 20 1.305 4.015 -14.439 1.00 0.00 C ATOM 263 CG HIS A 20 1.556 5.152 -15.381 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.562 5.739 -16.134 1.00 0.00 N ATOM 265 CD2 HIS A 20 2.698 5.811 -15.689 1.00 0.00 C ATOM 266 CE1 HIS A 20 1.081 6.709 -16.866 1.00 0.00 C ATOM 267 NE2 HIS A 20 2.376 6.773 -16.614 1.00 0.00 N ATOM 0 H HIS A 20 -1.251 4.603 -14.436 1.00 0.00 H new ATOM 0 HA HIS A 20 0.703 3.744 -12.396 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.261 3.625 -14.090 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.810 3.208 -14.980 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.679 5.616 -15.283 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.539 7.342 -17.553 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.031 7.430 -17.038 1.00 0.00 H new ATOM 276 N ILE A 21 1.209 6.018 -11.587 1.00 0.00 N ATOM 277 CA ILE A 21 1.531 7.344 -11.076 1.00 0.00 C ATOM 278 C ILE A 21 3.033 7.602 -11.123 1.00 0.00 C ATOM 279 O ILE A 21 3.823 6.825 -10.586 1.00 0.00 O ATOM 280 CB ILE A 21 1.036 7.525 -9.629 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.414 7.052 -9.500 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.163 8.980 -9.204 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.786 6.620 -8.099 1.00 0.00 C ATOM 0 H ILE A 21 1.366 5.260 -10.923 1.00 0.00 H new ATOM 0 HA ILE A 21 1.021 8.062 -11.719 1.00 0.00 H new ATOM 0 HB ILE A 21 1.657 6.918 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.079 7.857 -9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.578 6.219 -10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.809 9.092 -8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.207 9.286 -9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.564 9.606 -9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.827 6.298 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.145 5.794 -7.791 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.654 7.457 -7.413 1.00 0.00 H new ATOM 295 N GLU A 22 3.421 8.698 -11.767 1.00 0.00 N ATOM 296 CA GLU A 22 4.829 9.058 -11.883 1.00 0.00 C ATOM 297 C GLU A 22 5.120 10.360 -11.142 1.00 0.00 C ATOM 298 O GLU A 22 4.384 11.339 -11.270 1.00 0.00 O ATOM 299 CB GLU A 22 5.223 9.197 -13.355 1.00 0.00 C ATOM 300 CG GLU A 22 5.641 7.886 -13.999 1.00 0.00 C ATOM 301 CD GLU A 22 5.976 8.039 -15.470 1.00 0.00 C ATOM 302 OE1 GLU A 22 5.049 7.948 -16.303 1.00 0.00 O ATOM 303 OE2 GLU A 22 7.165 8.250 -15.789 1.00 0.00 O ATOM 0 H GLU A 22 2.780 9.352 -12.216 1.00 0.00 H new ATOM 0 HA GLU A 22 5.420 8.262 -11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.382 9.613 -13.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.043 9.910 -13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.508 7.487 -13.472 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.837 7.158 -13.887 1.00 0.00 H new ATOM 310 N LYS A 23 6.199 10.364 -10.366 1.00 0.00 N ATOM 311 CA LYS A 23 6.590 11.544 -9.605 1.00 0.00 C ATOM 312 C LYS A 23 7.807 12.217 -10.231 1.00 0.00 C ATOM 313 O LYS A 23 8.403 11.692 -11.171 1.00 0.00 O ATOM 314 CB LYS A 23 6.895 11.162 -8.154 1.00 0.00 C ATOM 315 CG LYS A 23 5.742 10.465 -7.453 1.00 0.00 C ATOM 316 CD LYS A 23 5.738 10.756 -5.962 1.00 0.00 C ATOM 317 CE LYS A 23 4.893 11.978 -5.634 1.00 0.00 C ATOM 318 NZ LYS A 23 5.622 13.247 -5.910 1.00 0.00 N ATOM 0 H LYS A 23 6.818 9.562 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 23 5.759 12.249 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.768 10.510 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.157 12.062 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.798 10.791 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.814 9.389 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.353 9.891 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.760 10.916 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.974 11.952 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.602 11.947 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.342 13.967 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.646 13.080 -5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.387 13.581 -6.866 1.00 0.00 H new ATOM 332 N SER A 24 8.171 13.381 -9.703 1.00 0.00 N ATOM 333 CA SER A 24 9.315 14.127 -10.212 1.00 0.00 C ATOM 334 C SER A 24 10.565 13.833 -9.388 1.00 0.00 C ATOM 335 O SER A 24 11.594 13.423 -9.926 1.00 0.00 O ATOM 336 CB SER A 24 9.021 15.628 -10.195 1.00 0.00 C ATOM 337 OG SER A 24 10.183 16.379 -10.501 1.00 0.00 O ATOM 0 H SER A 24 7.690 13.828 -8.923 1.00 0.00 H new ATOM 0 HA SER A 24 9.495 13.811 -11.240 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.236 15.856 -10.916 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.645 15.917 -9.213 1.00 0.00 H new ATOM 0 HG SER A 24 9.968 17.335 -10.485 1.00 0.00 H new ATOM 343 N ASP A 25 10.468 14.046 -8.081 1.00 0.00 N ATOM 344 CA ASP A 25 11.590 13.804 -7.181 1.00 0.00 C ATOM 345 C ASP A 25 11.204 12.814 -6.086 1.00 0.00 C ATOM 346 O ASP A 25 10.632 13.193 -5.064 1.00 0.00 O ATOM 347 CB ASP A 25 12.062 15.117 -6.555 1.00 0.00 C ATOM 348 CG ASP A 25 13.502 15.049 -6.086 1.00 0.00 C ATOM 349 OD1 ASP A 25 13.945 13.952 -5.684 1.00 0.00 O ATOM 350 OD2 ASP A 25 14.187 16.093 -6.121 1.00 0.00 O ATOM 0 H ASP A 25 9.624 14.386 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 25 12.405 13.375 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.957 15.922 -7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.419 15.366 -5.711 1.00 0.00 H new ATOM 355 N THR A 26 11.520 11.541 -6.308 1.00 0.00 N ATOM 356 CA THR A 26 11.204 10.496 -5.342 1.00 0.00 C ATOM 357 C THR A 26 11.464 10.969 -3.916 1.00 0.00 C ATOM 358 O THR A 26 10.778 10.556 -2.981 1.00 0.00 O ATOM 359 CB THR A 26 12.027 9.221 -5.605 1.00 0.00 C ATOM 360 OG1 THR A 26 11.573 8.161 -4.756 1.00 0.00 O ATOM 361 CG2 THR A 26 13.508 9.473 -5.363 1.00 0.00 C ATOM 0 H THR A 26 11.994 11.210 -7.148 1.00 0.00 H new ATOM 0 HA THR A 26 10.145 10.267 -5.459 1.00 0.00 H new ATOM 0 HB THR A 26 11.889 8.935 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.617 8.275 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.069 8.558 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.857 10.260 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.660 9.782 -4.329 1.00 0.00 H new ATOM 369 N ALA A 27 12.457 11.837 -3.757 1.00 0.00 N ATOM 370 CA ALA A 27 12.804 12.368 -2.444 1.00 0.00 C ATOM 371 C ALA A 27 11.960 13.592 -2.106 1.00 0.00 C ATOM 372 O ALA A 27 11.084 13.535 -1.244 1.00 0.00 O ATOM 373 CB ALA A 27 14.285 12.714 -2.390 1.00 0.00 C ATOM 0 H ALA A 27 13.035 12.188 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 27 12.594 11.599 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.531 13.109 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.875 11.817 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.511 13.464 -3.148 1.00 0.00 H new ATOM 379 N ALA A 28 12.231 14.699 -2.791 1.00 0.00 N ATOM 380 CA ALA A 28 11.495 15.937 -2.564 1.00 0.00 C ATOM 381 C ALA A 28 9.992 15.683 -2.526 1.00 0.00 C ATOM 382 O ALA A 28 9.362 15.784 -1.473 1.00 0.00 O ATOM 383 CB ALA A 28 11.833 16.957 -3.641 1.00 0.00 C ATOM 0 H ALA A 28 12.954 14.763 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 28 11.794 16.336 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.276 17.876 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.902 17.169 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.563 16.557 -4.618 1.00 0.00 H new ATOM 389 N ASP A 29 9.423 15.353 -3.681 1.00 0.00 N ATOM 390 CA ASP A 29 7.993 15.084 -3.780 1.00 0.00 C ATOM 391 C ASP A 29 7.693 13.621 -3.470 1.00 0.00 C ATOM 392 O ASP A 29 8.407 12.722 -3.915 1.00 0.00 O ATOM 393 CB ASP A 29 7.481 15.439 -5.177 1.00 0.00 C ATOM 394 CG ASP A 29 8.138 16.686 -5.735 1.00 0.00 C ATOM 395 OD1 ASP A 29 9.355 16.642 -6.012 1.00 0.00 O ATOM 396 OD2 ASP A 29 7.436 17.707 -5.893 1.00 0.00 O ATOM 0 H ASP A 29 9.930 15.265 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 29 7.479 15.705 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.664 14.603 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.402 15.587 -5.139 1.00 0.00 H new ATOM 401 N THR A 30 6.631 13.389 -2.704 1.00 0.00 N ATOM 402 CA THR A 30 6.238 12.036 -2.333 1.00 0.00 C ATOM 403 C THR A 30 4.723 11.921 -2.198 1.00 0.00 C ATOM 404 O THR A 30 4.070 12.811 -1.653 1.00 0.00 O ATOM 405 CB THR A 30 6.894 11.603 -1.009 1.00 0.00 C ATOM 406 OG1 THR A 30 6.700 12.613 -0.012 1.00 0.00 O ATOM 407 CG2 THR A 30 8.382 11.351 -1.199 1.00 0.00 C ATOM 0 H THR A 30 6.028 14.121 -2.329 1.00 0.00 H new ATOM 0 HA THR A 30 6.580 11.378 -3.131 1.00 0.00 H new ATOM 0 HB THR A 30 6.423 10.676 -0.683 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.119 12.329 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.824 11.046 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.526 10.561 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.864 12.265 -1.547 1.00 0.00 H new ATOM 415 N TYR A 31 4.171 10.821 -2.697 1.00 0.00 N ATOM 416 CA TYR A 31 2.733 10.592 -2.633 1.00 0.00 C ATOM 417 C TYR A 31 2.187 10.935 -1.250 1.00 0.00 C ATOM 418 O TYR A 31 2.946 11.130 -0.302 1.00 0.00 O ATOM 419 CB TYR A 31 2.412 9.135 -2.973 1.00 0.00 C ATOM 420 CG TYR A 31 3.161 8.616 -4.181 1.00 0.00 C ATOM 421 CD1 TYR A 31 2.892 9.106 -5.453 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.137 7.637 -4.048 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.572 8.634 -6.558 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.824 7.160 -5.148 1.00 0.00 C ATOM 425 CZ TYR A 31 4.538 7.662 -6.401 1.00 0.00 C ATOM 426 OH TYR A 31 5.219 7.190 -7.500 1.00 0.00 O ATOM 0 H TYR A 31 4.697 10.074 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 31 2.254 11.243 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.649 8.509 -2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.341 9.040 -3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.138 9.869 -5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.363 7.242 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.349 9.024 -7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.580 6.399 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 31 5.118 7.821 -8.243 1.00 0.00 H new ATOM 436 N GLY A 32 0.863 11.005 -1.144 1.00 0.00 N ATOM 437 CA GLY A 32 0.237 11.324 0.125 1.00 0.00 C ATOM 438 C GLY A 32 -1.012 10.503 0.378 1.00 0.00 C ATOM 439 O GLY A 32 -1.912 10.934 1.099 1.00 0.00 O ATOM 0 H GLY A 32 0.214 10.846 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.950 11.153 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.018 12.384 0.145 1.00 0.00 H new ATOM 443 N PHE A 33 -1.069 9.317 -0.219 1.00 0.00 N ATOM 444 CA PHE A 33 -2.219 8.434 -0.057 1.00 0.00 C ATOM 445 C PHE A 33 -1.846 7.199 0.759 1.00 0.00 C ATOM 446 O PHE A 33 -0.842 6.541 0.485 1.00 0.00 O ATOM 447 CB PHE A 33 -2.760 8.011 -1.424 1.00 0.00 C ATOM 448 CG PHE A 33 -2.043 6.831 -2.015 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.720 6.937 -2.415 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.691 5.616 -2.169 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.058 5.853 -2.959 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.033 4.528 -2.713 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.715 4.647 -3.107 1.00 0.00 C ATOM 0 H PHE A 33 -0.333 8.945 -0.819 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.994 8.982 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.819 7.771 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.685 8.853 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.201 7.877 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.721 5.518 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.972 5.949 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.549 3.587 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.198 3.798 -3.530 1.00 0.00 H new ATOM 463 N SER A 34 -2.662 6.892 1.762 1.00 0.00 N ATOM 464 CA SER A 34 -2.416 5.740 2.621 1.00 0.00 C ATOM 465 C SER A 34 -3.266 4.549 2.188 1.00 0.00 C ATOM 466 O SER A 34 -4.279 4.709 1.506 1.00 0.00 O ATOM 467 CB SER A 34 -2.716 6.091 4.080 1.00 0.00 C ATOM 468 OG SER A 34 -1.977 7.228 4.492 1.00 0.00 O ATOM 0 H SER A 34 -3.499 7.425 2.000 1.00 0.00 H new ATOM 0 HA SER A 34 -1.365 5.467 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.782 6.283 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.471 5.243 4.719 1.00 0.00 H new ATOM 0 HG SER A 34 -2.187 7.433 5.427 1.00 0.00 H new ATOM 474 N LEU A 35 -2.847 3.354 2.590 1.00 0.00 N ATOM 475 CA LEU A 35 -3.569 2.134 2.245 1.00 0.00 C ATOM 476 C LEU A 35 -3.893 1.321 3.494 1.00 0.00 C ATOM 477 O LEU A 35 -3.021 1.067 4.325 1.00 0.00 O ATOM 478 CB LEU A 35 -2.745 1.289 1.272 1.00 0.00 C ATOM 479 CG LEU A 35 -2.568 1.865 -0.134 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.518 1.080 -0.904 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.893 1.862 -0.882 1.00 0.00 C ATOM 0 H LEU A 35 -2.011 3.204 3.155 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.506 2.419 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.757 1.132 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.215 0.309 1.185 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.227 2.896 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.406 1.504 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.565 1.134 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.829 0.039 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.748 2.275 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.263 0.840 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.618 2.469 -0.340 1.00 0.00 H new ATOM 493 N SER A 36 -5.152 0.914 3.619 1.00 0.00 N ATOM 494 CA SER A 36 -5.592 0.131 4.768 1.00 0.00 C ATOM 495 C SER A 36 -5.783 -1.334 4.385 1.00 0.00 C ATOM 496 O SER A 36 -6.396 -1.645 3.364 1.00 0.00 O ATOM 497 CB SER A 36 -6.897 0.698 5.329 1.00 0.00 C ATOM 498 OG SER A 36 -8.006 0.300 4.542 1.00 0.00 O ATOM 0 H SER A 36 -5.885 1.113 2.939 1.00 0.00 H new ATOM 0 HA SER A 36 -4.820 0.191 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.034 0.357 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.841 1.786 5.360 1.00 0.00 H new ATOM 0 HG SER A 36 -7.892 0.630 3.626 1.00 0.00 H new ATOM 504 N SER A 37 -5.254 -2.229 5.213 1.00 0.00 N ATOM 505 CA SER A 37 -5.363 -3.661 4.961 1.00 0.00 C ATOM 506 C SER A 37 -6.454 -4.284 5.826 1.00 0.00 C ATOM 507 O SER A 37 -6.584 -3.964 7.008 1.00 0.00 O ATOM 508 CB SER A 37 -4.025 -4.351 5.233 1.00 0.00 C ATOM 509 OG SER A 37 -3.584 -4.106 6.557 1.00 0.00 O ATOM 0 H SER A 37 -4.746 -1.988 6.064 1.00 0.00 H new ATOM 0 HA SER A 37 -5.630 -3.801 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.127 -5.424 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.277 -3.993 4.525 1.00 0.00 H new ATOM 0 HG SER A 37 -2.728 -4.559 6.706 1.00 0.00 H new ATOM 515 N VAL A 38 -7.238 -5.176 5.228 1.00 0.00 N ATOM 516 CA VAL A 38 -8.318 -5.845 5.943 1.00 0.00 C ATOM 517 C VAL A 38 -8.410 -7.315 5.548 1.00 0.00 C ATOM 518 O VAL A 38 -8.468 -7.647 4.365 1.00 0.00 O ATOM 519 CB VAL A 38 -9.674 -5.167 5.674 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.785 -5.872 6.437 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.615 -3.693 6.045 1.00 0.00 C ATOM 0 H VAL A 38 -7.145 -5.452 4.250 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.088 -5.771 7.006 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.893 -5.242 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.736 -5.379 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.841 -6.913 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.575 -5.830 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.582 -3.229 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.373 -3.594 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.848 -3.198 5.450 1.00 0.00 H new ATOM 531 N GLU A 39 -8.424 -8.191 6.548 1.00 0.00 N ATOM 532 CA GLU A 39 -8.509 -9.626 6.304 1.00 0.00 C ATOM 533 C GLU A 39 -9.946 -10.119 6.450 1.00 0.00 C ATOM 534 O GLU A 39 -10.515 -10.087 7.541 1.00 0.00 O ATOM 535 CB GLU A 39 -7.597 -10.385 7.271 1.00 0.00 C ATOM 536 CG GLU A 39 -7.053 -11.684 6.701 1.00 0.00 C ATOM 537 CD GLU A 39 -6.717 -12.698 7.778 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.322 -12.629 8.868 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.848 -13.560 7.529 1.00 0.00 O ATOM 0 H GLU A 39 -8.378 -7.932 7.534 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.181 -9.815 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.762 -9.742 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.151 -10.602 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.787 -12.113 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.159 -11.473 6.114 1.00 0.00 H new ATOM 546 N GLU A 40 -10.525 -10.573 5.343 1.00 0.00 N ATOM 547 CA GLU A 40 -11.895 -11.070 5.348 1.00 0.00 C ATOM 548 C GLU A 40 -11.922 -12.592 5.240 1.00 0.00 C ATOM 549 O GLU A 40 -11.816 -13.150 4.148 1.00 0.00 O ATOM 550 CB GLU A 40 -12.689 -10.453 4.195 1.00 0.00 C ATOM 551 CG GLU A 40 -13.053 -8.995 4.418 1.00 0.00 C ATOM 552 CD GLU A 40 -13.751 -8.764 5.744 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.595 -9.602 6.123 1.00 0.00 O ATOM 554 OE2 GLU A 40 -13.453 -7.746 6.403 1.00 0.00 O ATOM 0 H GLU A 40 -10.067 -10.607 4.432 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.355 -10.781 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.106 -10.537 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.603 -11.028 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.148 -8.388 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.700 -8.658 3.608 1.00 0.00 H new ATOM 561 N ASP A 41 -12.063 -13.257 6.382 1.00 0.00 N ATOM 562 CA ASP A 41 -12.104 -14.715 6.417 1.00 0.00 C ATOM 563 C ASP A 41 -10.816 -15.308 5.857 1.00 0.00 C ATOM 564 O ASP A 41 -10.837 -16.334 5.178 1.00 0.00 O ATOM 565 CB ASP A 41 -13.306 -15.232 5.625 1.00 0.00 C ATOM 566 CG ASP A 41 -14.627 -14.879 6.279 1.00 0.00 C ATOM 567 OD1 ASP A 41 -15.000 -13.687 6.259 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.288 -15.795 6.811 1.00 0.00 O ATOM 0 H ASP A 41 -12.151 -12.810 7.295 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.204 -15.026 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.280 -14.815 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.232 -16.315 5.524 1.00 0.00 H new ATOM 573 N GLY A 42 -9.694 -14.655 6.146 1.00 0.00 N ATOM 574 CA GLY A 42 -8.412 -15.132 5.663 1.00 0.00 C ATOM 575 C GLY A 42 -7.966 -14.419 4.402 1.00 0.00 C ATOM 576 O GLY A 42 -6.768 -14.281 4.150 1.00 0.00 O ATOM 0 H GLY A 42 -9.651 -13.804 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.660 -14.994 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.476 -16.203 5.468 1.00 0.00 H new ATOM 580 N ILE A 43 -8.930 -13.966 3.607 1.00 0.00 N ATOM 581 CA ILE A 43 -8.629 -13.264 2.366 1.00 0.00 C ATOM 582 C ILE A 43 -8.263 -11.808 2.633 1.00 0.00 C ATOM 583 O ILE A 43 -9.133 -10.976 2.891 1.00 0.00 O ATOM 584 CB ILE A 43 -9.819 -13.312 1.390 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.155 -14.761 1.031 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.508 -12.509 0.135 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.451 -14.910 0.266 1.00 0.00 C ATOM 0 H ILE A 43 -9.926 -14.073 3.801 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.778 -13.773 1.914 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.687 -12.867 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.342 -15.177 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.214 -15.349 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.359 -12.553 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.313 -11.471 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.629 -12.927 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.625 -15.963 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.275 -14.524 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.389 -14.350 -0.667 1.00 0.00 H new ATOM 599 N ARG A 44 -6.971 -11.507 2.566 1.00 0.00 N ATOM 600 CA ARG A 44 -6.489 -10.150 2.800 1.00 0.00 C ATOM 601 C ARG A 44 -6.903 -9.223 1.661 1.00 0.00 C ATOM 602 O ARG A 44 -7.003 -9.645 0.509 1.00 0.00 O ATOM 603 CB ARG A 44 -4.967 -10.145 2.948 1.00 0.00 C ATOM 604 CG ARG A 44 -4.447 -9.040 3.853 1.00 0.00 C ATOM 605 CD ARG A 44 -3.054 -8.591 3.440 1.00 0.00 C ATOM 606 NE ARG A 44 -2.331 -7.964 4.543 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.760 -8.646 5.530 1.00 0.00 C ATOM 608 NH1 ARG A 44 -1.827 -9.970 5.550 1.00 0.00 N ATOM 609 NH2 ARG A 44 -1.120 -8.003 6.498 1.00 0.00 N ATOM 0 H ARG A 44 -6.239 -12.184 2.352 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.938 -9.786 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.646 -11.108 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.515 -10.038 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.129 -8.190 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.426 -9.392 4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.489 -9.450 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.131 -7.888 2.611 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.260 -6.947 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.318 -10.467 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.388 -10.491 6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.066 -6.985 6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.682 -8.527 7.255 1.00 0.00 H new ATOM 623 N ARG A 45 -7.143 -7.958 1.992 1.00 0.00 N ATOM 624 CA ARG A 45 -7.548 -6.972 0.998 1.00 0.00 C ATOM 625 C ARG A 45 -7.008 -5.589 1.353 1.00 0.00 C ATOM 626 O ARG A 45 -6.679 -5.317 2.508 1.00 0.00 O ATOM 627 CB ARG A 45 -9.073 -6.922 0.889 1.00 0.00 C ATOM 628 CG ARG A 45 -9.675 -8.143 0.212 1.00 0.00 C ATOM 629 CD ARG A 45 -9.446 -8.116 -1.291 1.00 0.00 C ATOM 630 NE ARG A 45 -9.571 -9.444 -1.887 1.00 0.00 N ATOM 631 CZ ARG A 45 -9.838 -9.650 -3.172 1.00 0.00 C ATOM 632 NH1 ARG A 45 -10.008 -8.621 -3.991 1.00 0.00 N ATOM 633 NH2 ARG A 45 -9.936 -10.888 -3.640 1.00 0.00 N ATOM 0 H ARG A 45 -7.064 -7.592 2.941 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.131 -7.271 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.497 -6.825 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.360 -6.030 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.235 -9.047 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.745 -8.184 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.165 -7.441 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.453 -7.717 -1.500 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.447 -10.257 -1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.934 -7.668 -3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.213 -8.782 -4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.806 -11.682 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.141 -11.045 -4.627 1.00 0.00 H new ATOM 647 N LEU A 46 -6.918 -4.721 0.352 1.00 0.00 N ATOM 648 CA LEU A 46 -6.417 -3.366 0.557 1.00 0.00 C ATOM 649 C LEU A 46 -7.449 -2.332 0.120 1.00 0.00 C ATOM 650 O LEU A 46 -8.247 -2.579 -0.785 1.00 0.00 O ATOM 651 CB LEU A 46 -5.113 -3.160 -0.217 1.00 0.00 C ATOM 652 CG LEU A 46 -3.849 -3.716 0.439 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.473 -2.890 1.660 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.043 -5.176 0.820 1.00 0.00 C ATOM 0 H LEU A 46 -7.185 -4.931 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.225 -3.234 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.221 -3.619 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.974 -2.091 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.033 -3.655 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.571 -3.301 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.290 -1.858 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.288 -2.918 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.133 -5.555 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.872 -5.262 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.263 -5.759 -0.074 1.00 0.00 H new ATOM 666 N TYR A 47 -7.427 -1.172 0.767 1.00 0.00 N ATOM 667 CA TYR A 47 -8.361 -0.099 0.446 1.00 0.00 C ATOM 668 C TYR A 47 -7.744 1.265 0.736 1.00 0.00 C ATOM 669 O TYR A 47 -7.180 1.491 1.806 1.00 0.00 O ATOM 670 CB TYR A 47 -9.656 -0.266 1.244 1.00 0.00 C ATOM 671 CG TYR A 47 -10.264 -1.645 1.130 1.00 0.00 C ATOM 672 CD1 TYR A 47 -11.088 -1.977 0.061 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.015 -2.618 2.091 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.647 -3.235 -0.047 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.568 -3.880 1.991 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.384 -4.183 0.920 1.00 0.00 C ATOM 677 OH TYR A 47 -11.937 -5.439 0.816 1.00 0.00 O ATOM 0 H TYR A 47 -6.772 -0.951 1.517 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.588 -0.156 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.456 -0.052 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.382 0.471 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.295 -1.238 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.378 -2.383 2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.286 -3.475 -0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.363 -4.625 2.746 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.652 -5.986 1.577 1.00 0.00 H new ATOM 687 N VAL A 48 -7.856 2.174 -0.228 1.00 0.00 N ATOM 688 CA VAL A 48 -7.312 3.519 -0.078 1.00 0.00 C ATOM 689 C VAL A 48 -7.972 4.253 1.084 1.00 0.00 C ATOM 690 O VAL A 48 -9.143 4.623 1.012 1.00 0.00 O ATOM 691 CB VAL A 48 -7.496 4.345 -1.364 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.860 5.719 -1.212 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.911 3.608 -2.560 1.00 0.00 C ATOM 0 H VAL A 48 -8.318 2.003 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.247 3.409 0.125 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.564 4.482 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.000 6.288 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.330 6.248 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.794 5.607 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.050 4.207 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.847 3.439 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.417 2.650 -2.680 1.00 0.00 H new ATOM 703 N ASN A 49 -7.212 4.459 2.154 1.00 0.00 N ATOM 704 CA ASN A 49 -7.723 5.150 3.333 1.00 0.00 C ATOM 705 C ASN A 49 -7.756 6.658 3.108 1.00 0.00 C ATOM 706 O ASN A 49 -8.753 7.318 3.400 1.00 0.00 O ATOM 707 CB ASN A 49 -6.862 4.823 4.555 1.00 0.00 C ATOM 708 CG ASN A 49 -6.924 5.908 5.612 1.00 0.00 C ATOM 709 OD1 ASN A 49 -8.003 6.383 5.968 1.00 0.00 O ATOM 710 ND2 ASN A 49 -5.763 6.306 6.120 1.00 0.00 N ATOM 0 H ASN A 49 -6.240 4.158 2.230 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.741 4.805 3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.193 3.879 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.828 4.684 4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.742 7.033 6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.893 5.884 5.795 1.00 0.00 H new ATOM 717 N SER A 50 -6.658 7.197 2.587 1.00 0.00 N ATOM 718 CA SER A 50 -6.559 8.629 2.326 1.00 0.00 C ATOM 719 C SER A 50 -5.851 8.891 1.001 1.00 0.00 C ATOM 720 O SER A 50 -5.079 8.061 0.521 1.00 0.00 O ATOM 721 CB SER A 50 -5.811 9.326 3.464 1.00 0.00 C ATOM 722 OG SER A 50 -6.143 10.702 3.525 1.00 0.00 O ATOM 0 H SER A 50 -5.825 6.664 2.337 1.00 0.00 H new ATOM 0 HA SER A 50 -7.569 9.033 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.057 8.847 4.412 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.736 9.214 3.319 1.00 0.00 H new ATOM 0 HG SER A 50 -5.653 11.124 4.261 1.00 0.00 H new ATOM 728 N VAL A 51 -6.119 10.054 0.414 1.00 0.00 N ATOM 729 CA VAL A 51 -5.508 10.428 -0.856 1.00 0.00 C ATOM 730 C VAL A 51 -4.943 11.843 -0.797 1.00 0.00 C ATOM 731 O VAL A 51 -5.551 12.743 -0.219 1.00 0.00 O ATOM 732 CB VAL A 51 -6.519 10.338 -2.014 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.862 10.730 -3.328 1.00 0.00 C ATOM 734 CG2 VAL A 51 -7.109 8.938 -2.099 1.00 0.00 C ATOM 0 H VAL A 51 -6.755 10.753 0.798 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.697 9.723 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.332 11.038 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.592 10.660 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.494 11.754 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.029 10.058 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.821 8.893 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.310 8.216 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.619 8.701 -1.165 1.00 0.00 H new ATOM 744 N LYS A 52 -3.774 12.032 -1.401 1.00 0.00 N ATOM 745 CA LYS A 52 -3.126 13.338 -1.420 1.00 0.00 C ATOM 746 C LYS A 52 -4.008 14.373 -2.111 1.00 0.00 C ATOM 747 O LYS A 52 -4.501 14.144 -3.215 1.00 0.00 O ATOM 748 CB LYS A 52 -1.774 13.248 -2.132 1.00 0.00 C ATOM 749 CG LYS A 52 -1.029 14.571 -2.192 1.00 0.00 C ATOM 750 CD LYS A 52 0.476 14.363 -2.208 1.00 0.00 C ATOM 751 CE LYS A 52 0.959 13.898 -3.574 1.00 0.00 C ATOM 752 NZ LYS A 52 0.833 14.968 -4.601 1.00 0.00 N ATOM 0 H LYS A 52 -3.257 11.297 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.967 13.652 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.152 12.513 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.931 12.882 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.331 15.120 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.303 15.183 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.976 15.294 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.751 13.626 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.000 13.584 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.383 13.026 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.488 14.556 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.161 15.689 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.762 15.408 -4.760 1.00 0.00 H new ATOM 766 N GLU A 53 -4.200 15.513 -1.454 1.00 0.00 N ATOM 767 CA GLU A 53 -5.022 16.583 -2.007 1.00 0.00 C ATOM 768 C GLU A 53 -4.305 17.280 -3.159 1.00 0.00 C ATOM 769 O GLU A 53 -3.137 17.653 -3.045 1.00 0.00 O ATOM 770 CB GLU A 53 -5.372 17.601 -0.919 1.00 0.00 C ATOM 771 CG GLU A 53 -6.660 17.283 -0.179 1.00 0.00 C ATOM 772 CD GLU A 53 -6.701 15.857 0.335 1.00 0.00 C ATOM 773 OE1 GLU A 53 -6.638 14.925 -0.494 1.00 0.00 O ATOM 774 OE2 GLU A 53 -6.795 15.674 1.567 1.00 0.00 O ATOM 0 H GLU A 53 -3.798 15.719 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.941 16.140 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.553 17.649 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.457 18.589 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.772 17.971 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.507 17.450 -0.844 1.00 0.00 H new ATOM 781 N THR A 54 -5.014 17.452 -4.271 1.00 0.00 N ATOM 782 CA THR A 54 -4.446 18.102 -5.446 1.00 0.00 C ATOM 783 C THR A 54 -3.087 17.509 -5.799 1.00 0.00 C ATOM 784 O THR A 54 -2.209 18.205 -6.308 1.00 0.00 O ATOM 785 CB THR A 54 -4.291 19.619 -5.229 1.00 0.00 C ATOM 786 OG1 THR A 54 -3.366 19.870 -4.165 1.00 0.00 O ATOM 787 CG2 THR A 54 -5.633 20.259 -4.903 1.00 0.00 C ATOM 0 H THR A 54 -5.982 17.150 -4.382 1.00 0.00 H new ATOM 0 HA THR A 54 -5.140 17.929 -6.269 1.00 0.00 H new ATOM 0 HB THR A 54 -3.911 20.059 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.900 19.039 -3.934 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.499 21.330 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.326 20.092 -5.728 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.037 19.814 -3.994 1.00 0.00 H new ATOM 795 N GLY A 55 -2.919 16.219 -5.526 1.00 0.00 N ATOM 796 CA GLY A 55 -1.664 15.555 -5.822 1.00 0.00 C ATOM 797 C GLY A 55 -1.667 14.891 -7.185 1.00 0.00 C ATOM 798 O GLY A 55 -2.239 15.418 -8.140 1.00 0.00 O ATOM 0 H GLY A 55 -3.631 15.622 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.853 16.281 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.464 14.805 -5.056 1.00 0.00 H new ATOM 802 N LEU A 56 -1.025 13.731 -7.277 1.00 0.00 N ATOM 803 CA LEU A 56 -0.954 12.994 -8.534 1.00 0.00 C ATOM 804 C LEU A 56 -2.051 11.937 -8.608 1.00 0.00 C ATOM 805 O LEU A 56 -2.802 11.875 -9.581 1.00 0.00 O ATOM 806 CB LEU A 56 0.418 12.334 -8.685 1.00 0.00 C ATOM 807 CG LEU A 56 1.614 13.283 -8.764 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.912 12.497 -8.872 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.464 14.233 -9.943 1.00 0.00 C ATOM 0 H LEU A 56 -0.547 13.281 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.101 13.701 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.570 11.660 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.407 11.720 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 56 1.646 13.874 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.753 13.189 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.025 11.858 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.890 11.880 -9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.324 14.901 -9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.406 13.659 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.554 14.821 -9.823 1.00 0.00 H new ATOM 821 N ALA A 57 -2.138 11.108 -7.573 1.00 0.00 N ATOM 822 CA ALA A 57 -3.145 10.056 -7.519 1.00 0.00 C ATOM 823 C ALA A 57 -4.553 10.643 -7.533 1.00 0.00 C ATOM 824 O ALA A 57 -5.481 10.042 -8.074 1.00 0.00 O ATOM 825 CB ALA A 57 -2.943 9.195 -6.281 1.00 0.00 C ATOM 0 H ALA A 57 -1.523 11.145 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.030 9.432 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.702 8.413 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.954 8.739 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.028 9.815 -5.389 1.00 0.00 H new ATOM 831 N SER A 58 -4.704 11.820 -6.935 1.00 0.00 N ATOM 832 CA SER A 58 -6.000 12.486 -6.875 1.00 0.00 C ATOM 833 C SER A 58 -6.439 12.947 -8.262 1.00 0.00 C ATOM 834 O SER A 58 -7.614 12.855 -8.617 1.00 0.00 O ATOM 835 CB SER A 58 -5.939 13.683 -5.924 1.00 0.00 C ATOM 836 OG SER A 58 -4.778 14.461 -6.157 1.00 0.00 O ATOM 0 H SER A 58 -3.945 12.332 -6.485 1.00 0.00 H new ATOM 0 HA SER A 58 -6.731 11.770 -6.500 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.827 14.301 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.944 13.332 -4.892 1.00 0.00 H new ATOM 0 HG SER A 58 -5.012 15.243 -6.699 1.00 0.00 H new ATOM 842 N LYS A 59 -5.485 13.443 -9.043 1.00 0.00 N ATOM 843 CA LYS A 59 -5.770 13.917 -10.392 1.00 0.00 C ATOM 844 C LYS A 59 -5.779 12.759 -11.385 1.00 0.00 C ATOM 845 O LYS A 59 -6.479 12.801 -12.397 1.00 0.00 O ATOM 846 CB LYS A 59 -4.734 14.960 -10.817 1.00 0.00 C ATOM 847 CG LYS A 59 -3.330 14.399 -10.959 1.00 0.00 C ATOM 848 CD LYS A 59 -2.471 15.268 -11.863 1.00 0.00 C ATOM 849 CE LYS A 59 -2.016 16.533 -11.152 1.00 0.00 C ATOM 850 NZ LYS A 59 -0.897 17.202 -11.872 1.00 0.00 N ATOM 0 H LYS A 59 -4.507 13.527 -8.765 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.759 14.376 -10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.040 15.397 -11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.722 15.767 -10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.866 14.325 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.380 13.389 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.600 14.702 -12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.035 15.535 -12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.856 17.223 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.700 16.286 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.616 18.060 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.086 16.553 -11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.206 17.461 -12.831 1.00 0.00 H new ATOM 864 N LYS A 60 -4.999 11.726 -11.089 1.00 0.00 N ATOM 865 CA LYS A 60 -4.918 10.554 -11.953 1.00 0.00 C ATOM 866 C LYS A 60 -6.269 9.851 -12.044 1.00 0.00 C ATOM 867 O LYS A 60 -6.835 9.709 -13.127 1.00 0.00 O ATOM 868 CB LYS A 60 -3.858 9.582 -11.432 1.00 0.00 C ATOM 869 CG LYS A 60 -2.439 9.972 -11.805 1.00 0.00 C ATOM 870 CD LYS A 60 -2.189 9.810 -13.295 1.00 0.00 C ATOM 871 CE LYS A 60 -1.611 8.440 -13.617 1.00 0.00 C ATOM 872 NZ LYS A 60 -2.677 7.445 -13.918 1.00 0.00 N ATOM 0 H LYS A 60 -4.413 11.676 -10.256 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.635 10.888 -12.951 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.936 9.521 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.067 8.586 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.257 11.007 -11.515 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.733 9.356 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.123 9.949 -13.839 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.503 10.585 -13.636 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.938 8.521 -14.471 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.015 8.090 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.438 6.535 -13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.585 7.785 -13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.753 7.318 -14.947 1.00 0.00 H new ATOM 886 N GLY A 61 -6.781 9.413 -10.897 1.00 0.00 N ATOM 887 CA GLY A 61 -8.061 8.731 -10.869 1.00 0.00 C ATOM 888 C GLY A 61 -8.199 7.804 -9.678 1.00 0.00 C ATOM 889 O GLY A 61 -8.608 6.651 -9.822 1.00 0.00 O ATOM 0 H GLY A 61 -6.332 9.519 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.862 9.470 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.184 8.158 -11.788 1.00 0.00 H new ATOM 893 N LEU A 62 -7.856 8.307 -8.497 1.00 0.00 N ATOM 894 CA LEU A 62 -7.942 7.515 -7.274 1.00 0.00 C ATOM 895 C LEU A 62 -8.934 8.133 -6.294 1.00 0.00 C ATOM 896 O LEU A 62 -9.487 9.204 -6.546 1.00 0.00 O ATOM 897 CB LEU A 62 -6.564 7.401 -6.620 1.00 0.00 C ATOM 898 CG LEU A 62 -5.698 6.227 -7.078 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.223 6.584 -6.985 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.002 4.986 -6.251 1.00 0.00 C ATOM 0 H LEU A 62 -7.516 9.259 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.295 6.518 -7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.017 8.325 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.701 7.326 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.933 6.011 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.622 5.737 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.016 7.445 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.972 6.827 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.377 4.160 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.795 5.189 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.052 4.718 -6.369 1.00 0.00 H new ATOM 912 N LYS A 63 -9.153 7.452 -5.175 1.00 0.00 N ATOM 913 CA LYS A 63 -10.075 7.935 -4.153 1.00 0.00 C ATOM 914 C LYS A 63 -9.826 7.235 -2.821 1.00 0.00 C ATOM 915 O LYS A 63 -9.214 6.169 -2.774 1.00 0.00 O ATOM 916 CB LYS A 63 -11.523 7.710 -4.597 1.00 0.00 C ATOM 917 CG LYS A 63 -12.546 8.039 -3.524 1.00 0.00 C ATOM 918 CD LYS A 63 -12.526 9.517 -3.169 1.00 0.00 C ATOM 919 CE LYS A 63 -13.435 10.322 -4.085 1.00 0.00 C ATOM 920 NZ LYS A 63 -12.747 10.708 -5.348 1.00 0.00 N ATOM 0 H LYS A 63 -8.705 6.563 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.904 9.003 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.723 8.320 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.645 6.669 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.541 7.761 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.342 7.447 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.842 9.648 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.507 9.896 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.324 9.737 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.772 11.219 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.942 11.708 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.722 10.571 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.096 10.115 -6.128 1.00 0.00 H new ATOM 934 N ALA A 64 -10.306 7.842 -1.740 1.00 0.00 N ATOM 935 CA ALA A 64 -10.138 7.275 -0.408 1.00 0.00 C ATOM 936 C ALA A 64 -11.201 6.220 -0.123 1.00 0.00 C ATOM 937 O ALA A 64 -11.528 5.950 1.033 1.00 0.00 O ATOM 938 CB ALA A 64 -10.187 8.374 0.643 1.00 0.00 C ATOM 0 H ALA A 64 -10.814 8.726 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.162 6.791 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.060 7.936 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.387 9.091 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.149 8.884 0.592 1.00 0.00 H new ATOM 944 N GLY A 65 -11.739 5.626 -1.184 1.00 0.00 N ATOM 945 CA GLY A 65 -12.761 4.607 -1.025 1.00 0.00 C ATOM 946 C GLY A 65 -12.719 3.568 -2.128 1.00 0.00 C ATOM 947 O GLY A 65 -13.758 3.066 -2.556 1.00 0.00 O ATOM 0 H GLY A 65 -11.486 5.832 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.632 4.115 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.743 5.080 -1.013 1.00 0.00 H new ATOM 951 N ASP A 66 -11.516 3.246 -2.590 1.00 0.00 N ATOM 952 CA ASP A 66 -11.343 2.260 -3.651 1.00 0.00 C ATOM 953 C ASP A 66 -10.439 1.121 -3.192 1.00 0.00 C ATOM 954 O ASP A 66 -9.491 1.335 -2.437 1.00 0.00 O ATOM 955 CB ASP A 66 -10.758 2.921 -4.900 1.00 0.00 C ATOM 956 CG ASP A 66 -11.198 2.236 -6.178 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.070 0.996 -6.261 1.00 0.00 O ATOM 958 OD2 ASP A 66 -11.671 2.938 -7.096 1.00 0.00 O ATOM 0 H ASP A 66 -10.646 3.653 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.322 1.847 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.061 3.968 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.670 2.906 -4.839 1.00 0.00 H new ATOM 963 N GLU A 67 -10.741 -0.089 -3.651 1.00 0.00 N ATOM 964 CA GLU A 67 -9.956 -1.262 -3.285 1.00 0.00 C ATOM 965 C GLU A 67 -8.867 -1.533 -4.320 1.00 0.00 C ATOM 966 O GLU A 67 -9.099 -1.420 -5.524 1.00 0.00 O ATOM 967 CB GLU A 67 -10.862 -2.488 -3.150 1.00 0.00 C ATOM 968 CG GLU A 67 -11.541 -2.890 -4.448 1.00 0.00 C ATOM 969 CD GLU A 67 -12.685 -3.861 -4.232 1.00 0.00 C ATOM 970 OE1 GLU A 67 -13.655 -3.491 -3.538 1.00 0.00 O ATOM 971 OE2 GLU A 67 -12.611 -4.991 -4.759 1.00 0.00 O ATOM 0 H GLU A 67 -11.523 -0.283 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.480 -1.063 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.271 -3.327 -2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.625 -2.284 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.917 -1.998 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.806 -3.343 -5.113 1.00 0.00 H new ATOM 978 N ILE A 68 -7.680 -1.890 -3.841 1.00 0.00 N ATOM 979 CA ILE A 68 -6.556 -2.177 -4.724 1.00 0.00 C ATOM 980 C ILE A 68 -6.493 -3.661 -5.069 1.00 0.00 C ATOM 981 O ILE A 68 -6.353 -4.509 -4.186 1.00 0.00 O ATOM 982 CB ILE A 68 -5.219 -1.752 -4.089 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.255 -0.268 -3.718 1.00 0.00 C ATOM 984 CG2 ILE A 68 -4.067 -2.037 -5.041 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.317 0.653 -4.917 1.00 0.00 C ATOM 0 H ILE A 68 -7.472 -1.987 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.716 -1.601 -5.636 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.065 -2.332 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.120 -0.082 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.369 -0.027 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.129 -1.731 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.032 -3.104 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.214 -1.480 -5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.340 1.689 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.439 0.495 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.217 0.439 -5.494 1.00 0.00 H new ATOM 997 N LEU A 69 -6.595 -3.969 -6.357 1.00 0.00 N ATOM 998 CA LEU A 69 -6.547 -5.351 -6.819 1.00 0.00 C ATOM 999 C LEU A 69 -5.107 -5.843 -6.920 1.00 0.00 C ATOM 1000 O LEU A 69 -4.762 -6.897 -6.387 1.00 0.00 O ATOM 1001 CB LEU A 69 -7.238 -5.479 -8.178 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.736 -5.171 -8.202 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -9.179 -4.786 -9.604 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.534 -6.364 -7.697 1.00 0.00 C ATOM 0 H LEU A 69 -6.711 -3.280 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.072 -5.969 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.739 -4.812 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.091 -6.495 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.925 -4.327 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.247 -4.570 -9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.631 -3.901 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.977 -5.610 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.598 -6.127 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.340 -7.227 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.237 -6.594 -6.674 1.00 0.00 H new ATOM 1016 N GLU A 70 -4.270 -5.070 -7.606 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.867 -5.427 -7.775 1.00 0.00 C ATOM 1018 C GLU A 70 -1.993 -4.178 -7.850 1.00 0.00 C ATOM 1019 O GLU A 70 -2.496 -3.065 -8.005 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.680 -6.270 -9.038 1.00 0.00 C ATOM 1021 CG GLU A 70 -3.156 -7.705 -8.888 1.00 0.00 C ATOM 1022 CD GLU A 70 -3.330 -8.405 -10.222 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -2.643 -8.015 -11.190 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -4.153 -9.340 -10.300 1.00 0.00 O ATOM 0 H GLU A 70 -4.539 -4.194 -8.053 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.561 -6.012 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.220 -5.801 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.624 -6.273 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.440 -8.260 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.104 -7.715 -8.350 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.683 -4.372 -7.739 1.00 0.00 N ATOM 1032 CA ILE A 71 0.260 -3.263 -7.795 1.00 0.00 C ATOM 1033 C ILE A 71 1.520 -3.650 -8.562 1.00 0.00 C ATOM 1034 O ILE A 71 2.368 -4.383 -8.054 1.00 0.00 O ATOM 1035 CB ILE A 71 0.657 -2.790 -6.384 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.574 -2.292 -5.624 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.712 -1.696 -6.469 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.306 -2.001 -4.164 1.00 0.00 C ATOM 0 H ILE A 71 -0.251 -5.287 -7.610 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.243 -2.448 -8.315 1.00 0.00 H new ATOM 0 HB ILE A 71 1.080 -3.634 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.946 -1.387 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.364 -3.040 -5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.982 -1.372 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.596 -2.082 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.314 -0.849 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.223 -1.652 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.037 -2.910 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.461 -1.231 -4.081 1.00 0.00 H new ATOM 1050 N ASN A 72 1.636 -3.151 -9.788 1.00 0.00 N ATOM 1051 CA ASN A 72 2.794 -3.443 -10.626 1.00 0.00 C ATOM 1052 C ASN A 72 2.919 -4.943 -10.876 1.00 0.00 C ATOM 1053 O ASN A 72 3.995 -5.520 -10.726 1.00 0.00 O ATOM 1054 CB ASN A 72 4.071 -2.916 -9.969 1.00 0.00 C ATOM 1055 CG ASN A 72 4.264 -1.428 -10.193 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.717 -0.854 -11.134 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.046 -0.797 -9.325 1.00 0.00 N ATOM 0 H ASN A 72 0.943 -2.543 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 72 2.654 -2.943 -11.584 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.036 -3.118 -8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.931 -3.455 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.214 0.204 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.479 -1.314 -8.559 1.00 0.00 H new ATOM 1064 N ASN A 73 1.810 -5.568 -11.258 1.00 0.00 N ATOM 1065 CA ASN A 73 1.796 -7.001 -11.529 1.00 0.00 C ATOM 1066 C ASN A 73 2.147 -7.796 -10.275 1.00 0.00 C ATOM 1067 O ASN A 73 2.953 -8.725 -10.322 1.00 0.00 O ATOM 1068 CB ASN A 73 2.778 -7.339 -12.652 1.00 0.00 C ATOM 1069 CG ASN A 73 2.157 -7.193 -14.028 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.408 -6.216 -14.734 1.00 0.00 O ATOM 1071 ND2 ASN A 73 1.340 -8.166 -14.415 1.00 0.00 N ATOM 0 H ASN A 73 0.910 -5.105 -11.387 1.00 0.00 H new ATOM 0 HA ASN A 73 0.789 -7.276 -11.842 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.648 -6.687 -12.578 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.134 -8.361 -12.524 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.892 -8.122 -15.330 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.161 -8.957 -13.797 1.00 0.00 H new ATOM 1078 N ARG A 74 1.535 -7.424 -9.155 1.00 0.00 N ATOM 1079 CA ARG A 74 1.784 -8.101 -7.888 1.00 0.00 C ATOM 1080 C ARG A 74 0.511 -8.168 -7.049 1.00 0.00 C ATOM 1081 O ARG A 74 -0.251 -7.204 -6.982 1.00 0.00 O ATOM 1082 CB ARG A 74 2.885 -7.381 -7.108 1.00 0.00 C ATOM 1083 CG ARG A 74 4.267 -7.539 -7.718 1.00 0.00 C ATOM 1084 CD ARG A 74 4.922 -8.841 -7.286 1.00 0.00 C ATOM 1085 NE ARG A 74 6.107 -9.149 -8.083 1.00 0.00 N ATOM 1086 CZ ARG A 74 6.602 -10.374 -8.218 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.019 -11.400 -7.614 1.00 0.00 N ATOM 1088 NH2 ARG A 74 7.684 -10.575 -8.961 1.00 0.00 N ATOM 0 H ARG A 74 0.864 -6.658 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 74 2.109 -9.118 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.642 -6.320 -7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.903 -7.761 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.191 -7.512 -8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.895 -6.699 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.200 -8.775 -6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.203 -9.655 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 74 6.580 -8.382 -8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.187 -11.250 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.402 -12.339 -7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.135 -9.788 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.064 -11.516 -9.065 1.00 0.00 H new ATOM 1102 N ALA A 75 0.288 -9.313 -6.412 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.891 -9.505 -5.576 1.00 0.00 C ATOM 1104 C ALA A 75 -0.806 -8.666 -4.306 1.00 0.00 C ATOM 1105 O ALA A 75 0.161 -8.764 -3.550 1.00 0.00 O ATOM 1106 CB ALA A 75 -1.058 -10.977 -5.230 1.00 0.00 C ATOM 0 H ALA A 75 0.908 -10.121 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.764 -9.175 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.942 -11.106 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.174 -11.555 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.178 -11.326 -4.690 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.823 -7.842 -4.077 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.863 -6.988 -2.896 1.00 0.00 C ATOM 1114 C ALA A 76 -1.473 -7.764 -1.643 1.00 0.00 C ATOM 1115 O ALA A 76 -0.480 -7.447 -0.989 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.248 -6.378 -2.733 1.00 0.00 C ATOM 0 H ALA A 76 -2.630 -7.748 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.138 -6.185 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.264 -5.743 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.488 -5.781 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.985 -7.173 -2.622 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.262 -8.781 -1.314 1.00 0.00 N ATOM 1123 CA ASP A 77 -1.999 -9.604 -0.139 1.00 0.00 C ATOM 1124 C ASP A 77 -0.524 -9.985 -0.061 1.00 0.00 C ATOM 1125 O ASP A 77 0.087 -9.929 1.006 1.00 0.00 O ATOM 1126 CB ASP A 77 -2.863 -10.865 -0.168 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.300 -11.973 0.699 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.595 -11.984 1.912 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -1.564 -12.829 0.165 1.00 0.00 O ATOM 0 H ASP A 77 -3.089 -9.055 -1.844 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.252 -9.020 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.870 -10.620 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.949 -11.220 -1.195 1.00 0.00 H new ATOM 1134 N ALA A 78 0.043 -10.373 -1.199 1.00 0.00 N ATOM 1135 CA ALA A 78 1.446 -10.763 -1.261 1.00 0.00 C ATOM 1136 C ALA A 78 2.350 -9.638 -0.767 1.00 0.00 C ATOM 1137 O ALA A 78 3.343 -9.882 -0.081 1.00 0.00 O ATOM 1138 CB ALA A 78 1.822 -11.161 -2.680 1.00 0.00 C ATOM 0 H ALA A 78 -0.449 -10.426 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 78 1.588 -11.623 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.873 -11.450 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.205 -12.002 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.658 -10.317 -3.350 1.00 0.00 H new ATOM 1144 N LEU A 79 2.000 -8.406 -1.121 1.00 0.00 N ATOM 1145 CA LEU A 79 2.781 -7.243 -0.715 1.00 0.00 C ATOM 1146 C LEU A 79 2.565 -6.931 0.763 1.00 0.00 C ATOM 1147 O LEU A 79 1.447 -6.648 1.191 1.00 0.00 O ATOM 1148 CB LEU A 79 2.403 -6.028 -1.564 1.00 0.00 C ATOM 1149 CG LEU A 79 2.564 -6.191 -3.076 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.708 -5.174 -3.816 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.026 -6.051 -3.475 1.00 0.00 C ATOM 0 H LEU A 79 1.181 -8.187 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 79 3.835 -7.473 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.364 -5.772 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.011 -5.182 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 79 2.227 -7.190 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.835 -5.305 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.660 -5.321 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.015 -4.167 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.122 -6.170 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.390 -5.065 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.615 -6.818 -2.972 1.00 0.00 H new ATOM 1163 N ASN A 80 3.644 -6.983 1.537 1.00 0.00 N ATOM 1164 CA ASN A 80 3.573 -6.705 2.967 1.00 0.00 C ATOM 1165 C ASN A 80 4.079 -5.298 3.273 1.00 0.00 C ATOM 1166 O ASN A 80 4.690 -4.649 2.424 1.00 0.00 O ATOM 1167 CB ASN A 80 4.391 -7.734 3.749 1.00 0.00 C ATOM 1168 CG ASN A 80 5.830 -7.808 3.279 1.00 0.00 C ATOM 1169 OD1 ASN A 80 6.239 -7.074 2.379 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.606 -8.698 3.886 1.00 0.00 N ATOM 0 H ASN A 80 4.578 -7.215 1.198 1.00 0.00 H new ATOM 0 HA ASN A 80 2.529 -6.772 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.371 -7.480 4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.928 -8.715 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.584 -8.794 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.225 -9.286 4.627 1.00 0.00 H new ATOM 1177 N SER A 81 3.820 -4.834 4.491 1.00 0.00 N ATOM 1178 CA SER A 81 4.246 -3.504 4.909 1.00 0.00 C ATOM 1179 C SER A 81 5.624 -3.172 4.344 1.00 0.00 C ATOM 1180 O SER A 81 5.859 -2.064 3.862 1.00 0.00 O ATOM 1181 CB SER A 81 4.272 -3.409 6.436 1.00 0.00 C ATOM 1182 OG SER A 81 5.206 -4.321 6.987 1.00 0.00 O ATOM 0 H SER A 81 3.317 -5.360 5.206 1.00 0.00 H new ATOM 0 HA SER A 81 3.529 -2.781 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.530 -2.393 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.278 -3.616 6.834 1.00 0.00 H new ATOM 0 HG SER A 81 5.205 -4.240 7.964 1.00 0.00 H new ATOM 1188 N SER A 82 6.531 -4.141 4.408 1.00 0.00 N ATOM 1189 CA SER A 82 7.887 -3.952 3.906 1.00 0.00 C ATOM 1190 C SER A 82 7.871 -3.548 2.435 1.00 0.00 C ATOM 1191 O SER A 82 8.323 -2.461 2.074 1.00 0.00 O ATOM 1192 CB SER A 82 8.703 -5.234 4.086 1.00 0.00 C ATOM 1193 OG SER A 82 10.090 -4.951 4.149 1.00 0.00 O ATOM 0 H SER A 82 6.352 -5.064 4.802 1.00 0.00 H new ATOM 0 HA SER A 82 8.352 -3.150 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.391 -5.743 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.505 -5.914 3.258 1.00 0.00 H new ATOM 0 HG SER A 82 10.589 -5.786 4.266 1.00 0.00 H new ATOM 1199 N MET A 83 7.348 -4.430 1.591 1.00 0.00 N ATOM 1200 CA MET A 83 7.271 -4.165 0.159 1.00 0.00 C ATOM 1201 C MET A 83 6.548 -2.850 -0.112 1.00 0.00 C ATOM 1202 O MET A 83 7.018 -2.021 -0.893 1.00 0.00 O ATOM 1203 CB MET A 83 6.554 -5.312 -0.556 1.00 0.00 C ATOM 1204 CG MET A 83 7.433 -6.531 -0.784 1.00 0.00 C ATOM 1205 SD MET A 83 6.485 -8.060 -0.898 1.00 0.00 S ATOM 1206 CE MET A 83 7.176 -8.990 0.467 1.00 0.00 C ATOM 0 H MET A 83 6.971 -5.335 1.873 1.00 0.00 H new ATOM 0 HA MET A 83 8.288 -4.086 -0.226 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.683 -5.607 0.030 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.185 -4.955 -1.518 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.006 -6.394 -1.701 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.151 -6.614 0.032 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.799 -9.796 0.080 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.782 -8.330 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.369 -9.411 1.066 1.00 0.00 H new ATOM 1216 N LEU A 84 5.404 -2.664 0.536 1.00 0.00 N ATOM 1217 CA LEU A 84 4.616 -1.449 0.364 1.00 0.00 C ATOM 1218 C LEU A 84 5.486 -0.207 0.532 1.00 0.00 C ATOM 1219 O LEU A 84 5.568 0.633 -0.365 1.00 0.00 O ATOM 1220 CB LEU A 84 3.463 -1.418 1.369 1.00 0.00 C ATOM 1221 CG LEU A 84 2.247 -2.278 1.023 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.293 -2.353 2.205 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.536 -1.726 -0.204 1.00 0.00 C ATOM 0 H LEU A 84 5.001 -3.339 1.186 1.00 0.00 H new ATOM 0 HA LEU A 84 4.208 -1.450 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.844 -1.737 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.133 -0.385 1.481 1.00 0.00 H new ATOM 0 HG LEU A 84 2.592 -3.287 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.434 -2.969 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.806 -2.794 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.954 -1.350 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.673 -2.350 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.204 -0.707 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.221 -1.725 -1.052 1.00 0.00 H new ATOM 1235 N LYS A 85 6.136 -0.098 1.685 1.00 0.00 N ATOM 1236 CA LYS A 85 7.003 1.038 1.971 1.00 0.00 C ATOM 1237 C LYS A 85 7.913 1.340 0.785 1.00 0.00 C ATOM 1238 O LYS A 85 7.987 2.478 0.321 1.00 0.00 O ATOM 1239 CB LYS A 85 7.847 0.761 3.217 1.00 0.00 C ATOM 1240 CG LYS A 85 7.077 0.907 4.518 1.00 0.00 C ATOM 1241 CD LYS A 85 7.875 0.382 5.700 1.00 0.00 C ATOM 1242 CE LYS A 85 8.836 1.433 6.234 1.00 0.00 C ATOM 1243 NZ LYS A 85 8.118 2.564 6.884 1.00 0.00 N ATOM 0 H LYS A 85 6.079 -0.784 2.438 1.00 0.00 H new ATOM 0 HA LYS A 85 6.372 1.908 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.251 -0.250 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.697 1.443 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.832 1.956 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.133 0.366 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.193 0.074 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.434 -0.504 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.514 0.973 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.448 1.814 5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.760 3.051 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.795 3.234 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.297 2.199 7.408 1.00 0.00 H new ATOM 1257 N ASP A 86 8.602 0.314 0.297 1.00 0.00 N ATOM 1258 CA ASP A 86 9.505 0.469 -0.837 1.00 0.00 C ATOM 1259 C ASP A 86 8.754 0.978 -2.063 1.00 0.00 C ATOM 1260 O ASP A 86 9.184 1.930 -2.716 1.00 0.00 O ATOM 1261 CB ASP A 86 10.188 -0.861 -1.158 1.00 0.00 C ATOM 1262 CG ASP A 86 11.202 -0.736 -2.278 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.062 0.167 -2.202 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.137 -1.541 -3.230 1.00 0.00 O ATOM 0 H ASP A 86 8.552 -0.634 0.669 1.00 0.00 H new ATOM 0 HA ASP A 86 10.265 1.203 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.684 -1.237 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.433 -1.596 -1.436 1.00 0.00 H new ATOM 1269 N PHE A 87 7.632 0.338 -2.372 1.00 0.00 N ATOM 1270 CA PHE A 87 6.822 0.725 -3.522 1.00 0.00 C ATOM 1271 C PHE A 87 6.465 2.207 -3.462 1.00 0.00 C ATOM 1272 O PHE A 87 6.682 2.949 -4.421 1.00 0.00 O ATOM 1273 CB PHE A 87 5.546 -0.117 -3.580 1.00 0.00 C ATOM 1274 CG PHE A 87 5.716 -1.416 -4.315 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.709 -2.309 -3.947 1.00 0.00 C ATOM 1276 CD2 PHE A 87 4.884 -1.743 -5.373 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.869 -3.505 -4.623 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.038 -2.937 -6.052 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.032 -3.819 -5.675 1.00 0.00 C ATOM 0 H PHE A 87 7.262 -0.451 -1.842 1.00 0.00 H new ATOM 0 HA PHE A 87 7.408 0.547 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.211 -0.325 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.759 0.463 -4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.365 -2.069 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.105 -1.057 -5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.648 -4.193 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.383 -3.180 -6.875 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.154 -4.753 -6.203 1.00 0.00 H new ATOM 1289 N LEU A 88 5.916 2.631 -2.329 1.00 0.00 N ATOM 1290 CA LEU A 88 5.528 4.025 -2.142 1.00 0.00 C ATOM 1291 C LEU A 88 6.730 4.951 -2.301 1.00 0.00 C ATOM 1292 O LEU A 88 6.621 6.031 -2.882 1.00 0.00 O ATOM 1293 CB LEU A 88 4.900 4.219 -0.761 1.00 0.00 C ATOM 1294 CG LEU A 88 3.609 3.443 -0.496 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.360 3.318 0.999 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.430 4.118 -1.181 1.00 0.00 C ATOM 0 H LEU A 88 5.730 2.030 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 88 4.794 4.278 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.633 3.933 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.697 5.281 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 88 3.718 2.441 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.437 2.763 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.192 2.789 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.272 4.312 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.520 3.552 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.318 5.132 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.606 4.154 -2.256 1.00 0.00 H new ATOM 1308 N SER A 89 7.875 4.520 -1.784 1.00 0.00 N ATOM 1309 CA SER A 89 9.098 5.311 -1.867 1.00 0.00 C ATOM 1310 C SER A 89 9.465 5.591 -3.321 1.00 0.00 C ATOM 1311 O SER A 89 9.913 6.687 -3.658 1.00 0.00 O ATOM 1312 CB SER A 89 10.249 4.584 -1.168 1.00 0.00 C ATOM 1313 OG SER A 89 11.287 5.486 -0.825 1.00 0.00 O ATOM 0 H SER A 89 7.982 3.627 -1.303 1.00 0.00 H new ATOM 0 HA SER A 89 8.922 6.263 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.879 4.091 -0.269 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.641 3.804 -1.821 1.00 0.00 H new ATOM 0 HG SER A 89 12.010 4.998 -0.378 1.00 0.00 H new ATOM 1319 N GLN A 90 9.273 4.592 -4.176 1.00 0.00 N ATOM 1320 CA GLN A 90 9.585 4.731 -5.594 1.00 0.00 C ATOM 1321 C GLN A 90 8.825 5.902 -6.207 1.00 0.00 C ATOM 1322 O GLN A 90 7.688 6.197 -5.838 1.00 0.00 O ATOM 1323 CB GLN A 90 9.244 3.440 -6.341 1.00 0.00 C ATOM 1324 CG GLN A 90 10.003 2.225 -5.833 1.00 0.00 C ATOM 1325 CD GLN A 90 10.113 1.128 -6.874 1.00 0.00 C ATOM 1326 OE1 GLN A 90 10.087 1.393 -8.076 1.00 0.00 O ATOM 1327 NE2 GLN A 90 10.238 -0.112 -6.416 1.00 0.00 N ATOM 0 H GLN A 90 8.903 3.679 -3.912 1.00 0.00 H new ATOM 0 HA GLN A 90 10.653 4.926 -5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.174 3.252 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.459 3.576 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.003 2.529 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.502 1.832 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.255 -0.285 -5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.317 -0.891 -7.069 1.00 0.00 H new ATOM 1336 N PRO A 91 9.466 6.588 -7.165 1.00 0.00 N ATOM 1337 CA PRO A 91 8.869 7.738 -7.850 1.00 0.00 C ATOM 1338 C PRO A 91 7.721 7.334 -8.769 1.00 0.00 C ATOM 1339 O PRO A 91 6.862 8.151 -9.101 1.00 0.00 O ATOM 1340 CB PRO A 91 10.032 8.309 -8.665 1.00 0.00 C ATOM 1341 CG PRO A 91 10.946 7.152 -8.881 1.00 0.00 C ATOM 1342 CD PRO A 91 10.823 6.292 -7.655 1.00 0.00 C ATOM 0 HA PRO A 91 8.433 8.449 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.686 8.723 -9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.533 9.115 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.667 6.597 -9.777 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.974 7.487 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.943 5.235 -7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.581 6.540 -6.912 1.00 0.00 H new ATOM 1350 N SER A 92 7.714 6.069 -9.178 1.00 0.00 N ATOM 1351 CA SER A 92 6.674 5.558 -10.063 1.00 0.00 C ATOM 1352 C SER A 92 5.981 4.348 -9.444 1.00 0.00 C ATOM 1353 O SER A 92 6.610 3.540 -8.759 1.00 0.00 O ATOM 1354 CB SER A 92 7.269 5.180 -11.420 1.00 0.00 C ATOM 1355 OG SER A 92 7.916 3.921 -11.361 1.00 0.00 O ATOM 0 H SER A 92 8.417 5.380 -8.911 1.00 0.00 H new ATOM 0 HA SER A 92 5.934 6.346 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.480 5.152 -12.171 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.981 5.944 -11.734 1.00 0.00 H new ATOM 0 HG SER A 92 8.286 3.702 -12.242 1.00 0.00 H new ATOM 1361 N LEU A 93 4.681 4.228 -9.690 1.00 0.00 N ATOM 1362 CA LEU A 93 3.900 3.117 -9.157 1.00 0.00 C ATOM 1363 C LEU A 93 2.771 2.739 -10.110 1.00 0.00 C ATOM 1364 O LEU A 93 2.271 3.576 -10.860 1.00 0.00 O ATOM 1365 CB LEU A 93 3.327 3.481 -7.787 1.00 0.00 C ATOM 1366 CG LEU A 93 4.256 3.269 -6.592 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.678 3.916 -5.344 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.499 1.784 -6.361 1.00 0.00 C ATOM 0 H LEU A 93 4.145 4.887 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 93 4.562 2.258 -9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.028 4.529 -7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.422 2.895 -7.627 1.00 0.00 H new ATOM 0 HG LEU A 93 5.212 3.743 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.354 3.754 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.557 4.986 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.708 3.472 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.163 1.653 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.550 1.286 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.959 1.348 -7.248 1.00 0.00 H new ATOM 1380 N GLY A 94 2.372 1.471 -10.074 1.00 0.00 N ATOM 1381 CA GLY A 94 1.303 1.005 -10.937 1.00 0.00 C ATOM 1382 C GLY A 94 0.209 0.288 -10.170 1.00 0.00 C ATOM 1383 O GLY A 94 0.371 -0.869 -9.778 1.00 0.00 O ATOM 0 H GLY A 94 2.770 0.758 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.873 1.854 -11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.715 0.333 -11.690 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.907 0.974 -9.954 1.00 0.00 N ATOM 1388 CA LEU A 95 -2.032 0.396 -9.227 1.00 0.00 C ATOM 1389 C LEU A 95 -3.072 -0.167 -10.191 1.00 0.00 C ATOM 1390 O LEU A 95 -3.124 0.218 -11.360 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.676 1.450 -8.324 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.755 2.103 -7.293 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.477 3.230 -6.570 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.247 1.068 -6.299 1.00 0.00 C ATOM 0 H LEU A 95 -1.058 1.931 -10.272 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.654 -0.420 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.095 2.234 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.509 0.987 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.897 2.525 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.806 3.683 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.790 3.984 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.353 2.832 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.593 1.551 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.093 0.615 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.691 0.295 -6.830 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.899 -1.080 -9.693 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.939 -1.696 -10.509 1.00 0.00 C ATOM 1408 C LEU A 96 -6.272 -1.717 -9.767 1.00 0.00 C ATOM 1409 O LEU A 96 -6.509 -2.579 -8.921 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.535 -3.119 -10.897 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.524 -3.880 -11.782 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.342 -3.492 -13.241 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.354 -5.381 -11.602 1.00 0.00 C ATOM 0 H LEU A 96 -3.869 -1.410 -8.728 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.057 -1.100 -11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.576 -3.075 -11.413 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.380 -3.693 -9.984 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.536 -3.610 -11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.054 -4.043 -13.856 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.514 -2.422 -13.357 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.327 -3.732 -13.558 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.065 -5.907 -12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.339 -5.668 -11.878 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.535 -5.645 -10.560 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.140 -0.764 -10.092 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.450 -0.675 -9.459 1.00 0.00 C ATOM 1427 C VAL A 97 -9.561 -1.021 -10.444 1.00 0.00 C ATOM 1428 O VAL A 97 -9.359 -0.993 -11.658 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.704 0.733 -8.890 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.799 0.998 -7.696 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.502 1.787 -9.967 1.00 0.00 C ATOM 0 H VAL A 97 -6.959 -0.043 -10.790 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.456 -1.396 -8.641 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.738 0.788 -8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.993 1.998 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.998 0.261 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.757 0.925 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.686 2.776 -9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.479 1.735 -10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.196 1.606 -10.788 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.734 -1.348 -9.913 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.878 -1.701 -10.746 1.00 0.00 C ATOM 1443 C ARG A 98 -12.720 -0.468 -11.063 1.00 0.00 C ATOM 1444 O ARG A 98 -12.912 0.402 -10.214 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.740 -2.753 -10.046 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.468 -3.680 -11.006 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.716 -5.045 -10.382 1.00 0.00 C ATOM 1448 NE ARG A 98 -14.702 -5.818 -11.132 1.00 0.00 N ATOM 1449 CZ ARG A 98 -15.084 -7.045 -10.796 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -14.565 -7.636 -9.729 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -15.986 -7.685 -11.529 1.00 0.00 N ATOM 0 H ARG A 98 -10.918 -1.376 -8.910 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.501 -2.114 -11.682 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.108 -3.349 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.472 -2.249 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.419 -3.233 -11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.881 -3.796 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.778 -5.599 -10.338 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.060 -4.917 -9.356 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.120 -5.392 -11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.870 -7.148 -9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.860 -8.578 -9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.387 -7.235 -12.352 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.278 -8.627 -11.270 1.00 0.00 H new ATOM 1465 N THR A 99 -13.220 -0.400 -12.294 1.00 0.00 N ATOM 1466 CA THR A 99 -14.039 0.726 -12.725 1.00 0.00 C ATOM 1467 C THR A 99 -15.147 0.270 -13.667 1.00 0.00 C ATOM 1468 O THR A 99 -15.096 -0.832 -14.214 1.00 0.00 O ATOM 1469 CB THR A 99 -13.190 1.800 -13.430 1.00 0.00 C ATOM 1470 OG1 THR A 99 -13.912 3.036 -13.485 1.00 0.00 O ATOM 1471 CG2 THR A 99 -12.821 1.360 -14.838 1.00 0.00 C ATOM 0 H THR A 99 -13.072 -1.112 -13.009 1.00 0.00 H new ATOM 0 HA THR A 99 -14.483 1.157 -11.828 1.00 0.00 H new ATOM 0 HB THR A 99 -12.273 1.940 -12.858 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.365 3.715 -13.933 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.222 2.135 -15.316 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.247 0.434 -14.791 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.729 1.195 -15.417 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.147 1.124 -13.853 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.269 0.809 -14.728 1.00 0.00 C ATOM 1481 C TYR A 100 -16.976 1.233 -16.164 1.00 0.00 C ATOM 1482 O TYR A 100 -16.521 2.345 -16.430 1.00 0.00 O ATOM 1483 CB TYR A 100 -18.541 1.497 -14.231 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.692 1.477 -12.727 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.073 2.434 -11.933 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.456 0.500 -12.099 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.208 2.418 -10.558 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.598 0.477 -10.725 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.971 1.438 -9.959 1.00 0.00 C ATOM 1490 OH TYR A 100 -19.109 1.419 -8.590 1.00 0.00 O ATOM 0 H TYR A 100 -16.203 2.041 -13.409 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.418 -0.271 -14.710 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -18.542 2.532 -14.574 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.407 1.011 -14.681 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.476 3.204 -12.399 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -19.947 -0.254 -12.696 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.719 3.169 -9.956 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -20.196 -0.289 -10.253 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.679 0.666 -8.329 1.00 0.00 H new