USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 122:sc= 1.2 USER MOD Set 2.2: A 25 SER OG : rot -133:sc= 2.36 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.199 F(o=-0.75,f=-0.2) USER MOD Single : A 16 TYR OH : rot 90:sc= -0.311 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 162:sc= -0.101 (180deg=-0.532) USER MOD Single : A 30 GLN : amide:sc= 1.61 K(o=1.6,f=-8.5!) USER MOD Single : A 34 SER OG : rot -116:sc= 1.08 USER MOD Single : A 35 GLN : amide:sc= 1 K(o=1,f=-5.9!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-5.7!) USER MOD Single : A 40 HIS : no HD1:sc= 0.115 K(o=0.12,f=-4.8!) USER MOD Single : A 42 TYR OH : rot -128:sc= 1.49 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= -0.352 (180deg=-1.98!) USER MOD Single : A 49 ASN : amide:sc= -0.0952 K(o=-0.095,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 2.37 (180deg=2.15) USER MOD Single : A 51 ASN : amide:sc= 0.615 K(o=0.61,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.1!) USER MOD Single : A 59 ASN : amide:sc= -1.03 K(o=-1,f=-12!) USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.0013 USER MOD Single : A 71 THR OG1 : rot -45:sc= 0.378 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -165:sc= 1.24 USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 LYS NZ :NH3+ 168:sc= 1.69 (180deg=1.39) USER MOD Single : B 115 ASN : amide:sc= -3.75! C(o=-3.8!,f=-5.7!) USER MOD Single : B 118 HIS : +bothHN:sc= 1.83 K(o=1.8,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.124 9.724 3.835 1.00 0.00 N ATOM 180 CA GLY A 13 -3.465 9.091 2.602 1.00 0.00 C ATOM 181 C GLY A 13 -4.363 7.905 2.744 1.00 0.00 C ATOM 182 O GLY A 13 -4.654 7.238 1.757 1.00 0.00 O ATOM 0 HA2 GLY A 13 -3.949 9.822 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.548 8.779 2.102 1.00 0.00 H new ATOM 186 N GLU A 14 -4.825 7.626 3.947 1.00 0.00 N ATOM 187 CA GLU A 14 -5.750 6.522 4.118 1.00 0.00 C ATOM 188 C GLU A 14 -7.084 6.901 3.463 1.00 0.00 C ATOM 189 O GLU A 14 -7.824 6.046 2.952 1.00 0.00 O ATOM 190 CB GLU A 14 -5.950 6.172 5.591 1.00 0.00 C ATOM 191 CG GLU A 14 -6.777 4.919 5.801 1.00 0.00 C ATOM 192 CD GLU A 14 -7.028 4.612 7.245 1.00 0.00 C ATOM 193 OE1 GLU A 14 -7.777 5.356 7.915 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.506 3.617 7.736 1.00 0.00 O ATOM 0 H GLU A 14 -4.584 8.132 4.799 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.336 5.634 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.976 6.039 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.436 7.008 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.733 5.032 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.267 4.073 5.340 1.00 0.00 H new ATOM 201 N ASN A 15 -7.352 8.212 3.431 1.00 0.00 N ATOM 202 CA ASN A 15 -8.552 8.752 2.807 1.00 0.00 C ATOM 203 C ASN A 15 -8.252 9.120 1.337 1.00 0.00 C ATOM 204 O ASN A 15 -8.962 9.879 0.706 1.00 0.00 O ATOM 205 CB ASN A 15 -9.030 9.979 3.610 1.00 0.00 C ATOM 206 CG ASN A 15 -10.332 10.591 3.161 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.260 9.786 2.751 1.00 0.00 O flip ATOM 208 ND2 ASN A 15 -10.513 11.808 3.257 1.00 0.00 N flip ATOM 0 H ASN A 15 -6.741 8.921 3.837 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.348 8.007 2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.128 9.689 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.255 10.744 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.759 12.412 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.417 12.210 3.010 1.00 0.00 H new ATOM 215 N TYR A 16 -7.184 8.575 0.803 1.00 0.00 N ATOM 216 CA TYR A 16 -6.874 8.799 -0.585 1.00 0.00 C ATOM 217 C TYR A 16 -7.508 7.708 -1.427 1.00 0.00 C ATOM 218 O TYR A 16 -7.295 6.514 -1.187 1.00 0.00 O ATOM 219 CB TYR A 16 -5.354 8.879 -0.846 1.00 0.00 C ATOM 220 CG TYR A 16 -5.008 9.035 -2.315 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.114 10.266 -2.949 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.607 7.938 -3.074 1.00 0.00 C ATOM 223 CE1 TYR A 16 -4.836 10.400 -4.294 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.319 8.062 -4.414 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.439 9.300 -5.022 1.00 0.00 C ATOM 226 OH TYR A 16 -4.184 9.427 -6.363 1.00 0.00 O ATOM 0 H TYR A 16 -6.523 7.980 1.304 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.287 9.767 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.940 9.721 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.878 7.977 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.419 11.132 -2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.520 6.971 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.929 11.363 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.003 7.202 -4.986 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.240 9.654 -6.496 1.00 0.00 H new ATOM 236 N ASP A 17 -8.303 8.106 -2.368 1.00 0.00 N ATOM 237 CA ASP A 17 -8.940 7.188 -3.268 1.00 0.00 C ATOM 238 C ASP A 17 -8.817 7.753 -4.671 1.00 0.00 C ATOM 239 O ASP A 17 -9.722 8.405 -5.191 1.00 0.00 O ATOM 240 CB ASP A 17 -10.405 6.970 -2.865 1.00 0.00 C ATOM 241 CG ASP A 17 -11.077 5.846 -3.608 1.00 0.00 C ATOM 242 OD1 ASP A 17 -10.882 4.679 -3.233 1.00 0.00 O ATOM 243 OD2 ASP A 17 -11.852 6.107 -4.542 1.00 0.00 O ATOM 0 H ASP A 17 -8.533 9.085 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.458 6.211 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.452 6.766 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.961 7.891 -3.038 1.00 0.00 H new ATOM 248 N GLY A 18 -7.634 7.618 -5.213 1.00 0.00 N ATOM 249 CA GLY A 18 -7.317 8.156 -6.516 1.00 0.00 C ATOM 250 C GLY A 18 -7.134 7.074 -7.537 1.00 0.00 C ATOM 251 O GLY A 18 -7.171 5.900 -7.201 1.00 0.00 O ATOM 0 H GLY A 18 -6.859 7.131 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.115 8.826 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.407 8.752 -6.451 1.00 0.00 H new ATOM 255 N LYS A 19 -6.921 7.461 -8.769 1.00 0.00 N ATOM 256 CA LYS A 19 -6.768 6.518 -9.864 1.00 0.00 C ATOM 257 C LYS A 19 -5.298 6.341 -10.241 1.00 0.00 C ATOM 258 O LYS A 19 -4.984 5.809 -11.313 1.00 0.00 O ATOM 259 CB LYS A 19 -7.559 7.010 -11.079 1.00 0.00 C ATOM 260 CG LYS A 19 -9.072 7.015 -10.895 1.00 0.00 C ATOM 261 CD LYS A 19 -9.643 5.617 -10.964 1.00 0.00 C ATOM 262 CE LYS A 19 -11.148 5.626 -10.843 1.00 0.00 C ATOM 263 NZ LYS A 19 -11.736 4.284 -11.053 1.00 0.00 N ATOM 0 H LYS A 19 -6.848 8.439 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.153 5.551 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.233 8.021 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.313 6.381 -11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.321 7.464 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.531 7.635 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.356 5.152 -11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.217 5.009 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.429 5.993 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.565 6.321 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.770 4.340 -10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.492 3.943 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.360 3.625 -10.342 1.00 0.00 H new ATOM 277 N ILE A 20 -4.405 6.790 -9.380 1.00 0.00 N ATOM 278 CA ILE A 20 -2.981 6.669 -9.633 1.00 0.00 C ATOM 279 C ILE A 20 -2.553 5.206 -9.469 1.00 0.00 C ATOM 280 O ILE A 20 -2.994 4.522 -8.546 1.00 0.00 O ATOM 281 CB ILE A 20 -2.146 7.597 -8.698 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.694 7.674 -9.170 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.210 7.120 -7.249 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.157 8.647 -8.385 1.00 0.00 C ATOM 0 H ILE A 20 -4.641 7.243 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.787 6.990 -10.657 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.580 8.596 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.248 6.682 -9.104 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.679 7.961 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.619 7.786 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.246 7.125 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.811 6.108 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.173 8.644 -8.781 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.263 9.649 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.175 8.350 -7.336 1.00 0.00 H new ATOM 296 N SER A 21 -1.739 4.730 -10.359 1.00 0.00 N ATOM 297 CA SER A 21 -1.331 3.355 -10.323 1.00 0.00 C ATOM 298 C SER A 21 0.182 3.213 -10.490 1.00 0.00 C ATOM 299 O SER A 21 0.701 2.120 -10.776 1.00 0.00 O ATOM 300 CB SER A 21 -2.081 2.613 -11.417 1.00 0.00 C ATOM 301 OG SER A 21 -1.874 3.217 -12.703 1.00 0.00 O ATOM 0 H SER A 21 -1.341 5.274 -11.124 1.00 0.00 H new ATOM 0 HA SER A 21 -1.572 2.925 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.751 1.574 -11.445 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.146 2.603 -11.186 1.00 0.00 H new ATOM 0 HG SER A 21 -2.368 2.715 -13.384 1.00 0.00 H new ATOM 307 N LYS A 22 0.885 4.298 -10.274 1.00 0.00 N ATOM 308 CA LYS A 22 2.322 4.315 -10.433 1.00 0.00 C ATOM 309 C LYS A 22 2.988 4.817 -9.189 1.00 0.00 C ATOM 310 O LYS A 22 2.438 5.660 -8.489 1.00 0.00 O ATOM 311 CB LYS A 22 2.758 5.101 -11.666 1.00 0.00 C ATOM 312 CG LYS A 22 2.420 4.402 -12.967 1.00 0.00 C ATOM 313 CD LYS A 22 2.911 5.181 -14.160 1.00 0.00 C ATOM 314 CE LYS A 22 2.692 4.406 -15.442 1.00 0.00 C ATOM 315 NZ LYS A 22 3.147 5.158 -16.626 1.00 0.00 N ATOM 0 H LYS A 22 0.482 5.189 -9.985 1.00 0.00 H new ATOM 0 HA LYS A 22 2.645 3.287 -10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.281 6.081 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.834 5.270 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.866 3.407 -12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.341 4.268 -13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.389 6.136 -14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.972 5.403 -14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.226 3.457 -15.388 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.633 4.170 -15.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.979 4.592 -17.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.620 6.052 -16.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.163 5.361 -16.539 1.00 0.00 H new ATOM 329 N THR A 23 4.179 4.327 -8.928 1.00 0.00 N ATOM 330 CA THR A 23 4.850 4.592 -7.683 1.00 0.00 C ATOM 331 C THR A 23 5.649 5.887 -7.765 1.00 0.00 C ATOM 332 O THR A 23 5.589 6.593 -8.775 1.00 0.00 O ATOM 333 CB THR A 23 5.785 3.419 -7.381 1.00 0.00 C ATOM 334 OG1 THR A 23 6.722 3.293 -8.459 1.00 0.00 O ATOM 335 CG2 THR A 23 4.983 2.122 -7.261 1.00 0.00 C ATOM 0 H THR A 23 4.705 3.736 -9.572 1.00 0.00 H new ATOM 0 HA THR A 23 4.113 4.703 -6.888 1.00 0.00 H new ATOM 0 HB THR A 23 6.305 3.602 -6.441 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.634 3.375 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.659 1.295 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.257 2.217 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.460 1.929 -8.198 1.00 0.00 H new ATOM 343 N MET A 24 6.390 6.211 -6.713 1.00 0.00 N ATOM 344 CA MET A 24 7.248 7.382 -6.708 1.00 0.00 C ATOM 345 C MET A 24 8.382 7.242 -7.729 1.00 0.00 C ATOM 346 O MET A 24 8.947 8.230 -8.195 1.00 0.00 O ATOM 347 CB MET A 24 7.766 7.692 -5.278 1.00 0.00 C ATOM 348 CG MET A 24 8.545 6.578 -4.548 1.00 0.00 C ATOM 349 SD MET A 24 10.161 6.185 -5.252 1.00 0.00 S ATOM 350 CE MET A 24 11.011 7.758 -5.094 1.00 0.00 C ATOM 0 H MET A 24 6.411 5.672 -5.847 1.00 0.00 H new ATOM 0 HA MET A 24 6.654 8.242 -7.018 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.409 8.570 -5.336 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.910 7.964 -4.661 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.681 6.873 -3.508 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.937 5.673 -4.545 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.086 7.601 -5.181 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.678 8.432 -5.883 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.786 8.197 -4.122 1.00 0.00 H new ATOM 360 N SER A 25 8.692 6.010 -8.080 1.00 0.00 N ATOM 361 CA SER A 25 9.674 5.704 -9.073 1.00 0.00 C ATOM 362 C SER A 25 9.021 5.575 -10.463 1.00 0.00 C ATOM 363 O SER A 25 9.706 5.384 -11.480 1.00 0.00 O ATOM 364 CB SER A 25 10.362 4.421 -8.656 1.00 0.00 C ATOM 365 OG SER A 25 9.392 3.505 -8.143 1.00 0.00 O ATOM 0 H SER A 25 8.254 5.186 -7.669 1.00 0.00 H new ATOM 0 HA SER A 25 10.408 6.506 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.880 3.980 -9.508 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.117 4.630 -7.898 1.00 0.00 H new ATOM 0 HG SER A 25 9.717 3.121 -7.302 1.00 0.00 H new ATOM 371 N GLY A 26 7.693 5.686 -10.484 1.00 0.00 N ATOM 372 CA GLY A 26 6.928 5.599 -11.705 1.00 0.00 C ATOM 373 C GLY A 26 6.742 4.186 -12.174 1.00 0.00 C ATOM 374 O GLY A 26 6.460 3.940 -13.345 1.00 0.00 O ATOM 0 H GLY A 26 7.127 5.839 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.951 6.057 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.429 6.173 -12.484 1.00 0.00 H new ATOM 378 N LEU A 27 6.892 3.265 -11.268 1.00 0.00 N ATOM 379 CA LEU A 27 6.705 1.871 -11.547 1.00 0.00 C ATOM 380 C LEU A 27 5.244 1.571 -11.442 1.00 0.00 C ATOM 381 O LEU A 27 4.506 2.347 -10.859 1.00 0.00 O ATOM 382 CB LEU A 27 7.462 1.038 -10.533 1.00 0.00 C ATOM 383 CG LEU A 27 8.995 1.127 -10.577 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.609 0.372 -9.412 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.523 0.568 -11.884 1.00 0.00 C ATOM 0 H LEU A 27 7.151 3.463 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 27 7.076 1.634 -12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.132 1.332 -9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.177 -0.005 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 27 9.274 2.178 -10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.695 0.447 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.258 0.802 -8.474 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.315 -0.676 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.611 0.639 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.227 -0.477 -11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.112 1.139 -12.716 1.00 0.00 H new ATOM 397 N GLU A 28 4.826 0.471 -11.964 1.00 0.00 N ATOM 398 CA GLU A 28 3.433 0.148 -11.938 1.00 0.00 C ATOM 399 C GLU A 28 3.095 -0.656 -10.694 1.00 0.00 C ATOM 400 O GLU A 28 3.848 -1.559 -10.280 1.00 0.00 O ATOM 401 CB GLU A 28 3.005 -0.571 -13.220 1.00 0.00 C ATOM 402 CG GLU A 28 1.516 -0.879 -13.281 1.00 0.00 C ATOM 403 CD GLU A 28 1.082 -1.458 -14.596 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.372 -2.626 -14.871 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.387 -0.751 -15.373 1.00 0.00 O ATOM 0 H GLU A 28 5.423 -0.222 -12.415 1.00 0.00 H new ATOM 0 HA GLU A 28 2.865 1.078 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.275 0.044 -14.078 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.564 -1.503 -13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.264 -1.578 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.955 0.036 -13.092 1.00 0.00 H new ATOM 412 N CYS A 29 2.006 -0.297 -10.078 1.00 0.00 N ATOM 413 CA CYS A 29 1.537 -0.972 -8.906 1.00 0.00 C ATOM 414 C CYS A 29 0.785 -2.225 -9.258 1.00 0.00 C ATOM 415 O CYS A 29 0.164 -2.326 -10.332 1.00 0.00 O ATOM 416 CB CYS A 29 0.663 -0.057 -8.061 1.00 0.00 C ATOM 417 SG CYS A 29 -0.167 -0.856 -6.644 1.00 0.00 S ATOM 0 H CYS A 29 1.415 0.478 -10.378 1.00 0.00 H new ATOM 0 HA CYS A 29 2.414 -1.253 -8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.279 0.761 -7.686 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.098 0.386 -8.704 1.00 0.00 H new ATOM 422 N GLN A 30 0.859 -3.155 -8.369 1.00 0.00 N ATOM 423 CA GLN A 30 0.187 -4.418 -8.455 1.00 0.00 C ATOM 424 C GLN A 30 -1.178 -4.308 -7.773 1.00 0.00 C ATOM 425 O GLN A 30 -1.285 -3.725 -6.696 1.00 0.00 O ATOM 426 CB GLN A 30 1.024 -5.488 -7.756 1.00 0.00 C ATOM 427 CG GLN A 30 0.298 -6.811 -7.603 1.00 0.00 C ATOM 428 CD GLN A 30 1.010 -7.794 -6.721 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.236 -7.809 -6.630 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.254 -8.616 -6.059 1.00 0.00 N ATOM 0 H GLN A 30 1.415 -3.056 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 30 0.052 -4.692 -9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.942 -5.648 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.316 -5.125 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.696 -6.625 -7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.160 -7.255 -8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.760 -8.572 -6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.674 -9.306 -5.436 1.00 0.00 H new ATOM 439 N ALA A 31 -2.197 -4.862 -8.402 1.00 0.00 N ATOM 440 CA ALA A 31 -3.539 -4.844 -7.866 1.00 0.00 C ATOM 441 C ALA A 31 -3.608 -5.515 -6.497 1.00 0.00 C ATOM 442 O ALA A 31 -3.082 -6.626 -6.297 1.00 0.00 O ATOM 443 CB ALA A 31 -4.518 -5.500 -8.833 1.00 0.00 C ATOM 0 H ALA A 31 -2.114 -5.337 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.824 -3.800 -7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.521 -5.475 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.511 -4.960 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.222 -6.535 -9.004 1.00 0.00 H new ATOM 449 N TRP A 32 -4.256 -4.842 -5.566 1.00 0.00 N ATOM 450 CA TRP A 32 -4.424 -5.306 -4.211 1.00 0.00 C ATOM 451 C TRP A 32 -5.205 -6.623 -4.157 1.00 0.00 C ATOM 452 O TRP A 32 -5.047 -7.402 -3.233 1.00 0.00 O ATOM 453 CB TRP A 32 -5.142 -4.260 -3.366 1.00 0.00 C ATOM 454 CG TRP A 32 -4.479 -2.906 -3.306 1.00 0.00 C ATOM 455 CD1 TRP A 32 -4.892 -1.778 -3.940 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.306 -2.530 -2.560 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.068 -0.736 -3.648 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.084 -1.163 -2.808 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.424 -3.207 -1.712 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.025 -0.461 -2.241 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.372 -2.502 -1.151 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.183 -1.147 -1.418 1.00 0.00 C ATOM 0 H TRP A 32 -4.689 -3.935 -5.740 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.426 -5.477 -3.807 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.152 -4.134 -3.757 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.239 -4.643 -2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.755 -1.717 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.171 0.215 -4.002 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.560 -4.257 -1.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.876 0.589 -2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.684 -3.013 -0.493 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.351 -0.630 -0.963 1.00 0.00 H new ATOM 473 N ASP A 33 -6.023 -6.881 -5.150 1.00 0.00 N ATOM 474 CA ASP A 33 -6.790 -8.122 -5.171 1.00 0.00 C ATOM 475 C ASP A 33 -6.021 -9.233 -5.878 1.00 0.00 C ATOM 476 O ASP A 33 -6.479 -10.385 -5.934 1.00 0.00 O ATOM 477 CB ASP A 33 -8.176 -7.942 -5.816 1.00 0.00 C ATOM 478 CG ASP A 33 -8.141 -7.614 -7.290 1.00 0.00 C ATOM 479 OD1 ASP A 33 -8.165 -8.547 -8.131 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.153 -6.424 -7.643 1.00 0.00 O ATOM 0 H ASP A 33 -6.179 -6.264 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.945 -8.408 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.751 -8.857 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.707 -7.147 -5.292 1.00 0.00 H new ATOM 485 N SER A 34 -4.857 -8.906 -6.391 1.00 0.00 N ATOM 486 CA SER A 34 -4.047 -9.856 -7.100 1.00 0.00 C ATOM 487 C SER A 34 -2.922 -10.354 -6.201 1.00 0.00 C ATOM 488 O SER A 34 -2.366 -9.589 -5.400 1.00 0.00 O ATOM 489 CB SER A 34 -3.477 -9.227 -8.388 1.00 0.00 C ATOM 490 OG SER A 34 -2.696 -10.164 -9.130 1.00 0.00 O ATOM 0 H SER A 34 -4.450 -7.973 -6.326 1.00 0.00 H new ATOM 0 HA SER A 34 -4.669 -10.705 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.296 -8.863 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.863 -8.364 -8.131 1.00 0.00 H new ATOM 0 HG SER A 34 -1.766 -9.857 -9.169 1.00 0.00 H new ATOM 496 N GLN A 35 -2.597 -11.627 -6.324 1.00 0.00 N ATOM 497 CA GLN A 35 -1.503 -12.225 -5.564 1.00 0.00 C ATOM 498 C GLN A 35 -0.313 -12.448 -6.484 1.00 0.00 C ATOM 499 O GLN A 35 0.640 -13.151 -6.148 1.00 0.00 O ATOM 500 CB GLN A 35 -1.926 -13.560 -4.941 1.00 0.00 C ATOM 501 CG GLN A 35 -3.129 -13.472 -4.025 1.00 0.00 C ATOM 502 CD GLN A 35 -2.861 -12.613 -2.821 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.739 -12.518 -2.353 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.864 -11.974 -2.325 1.00 0.00 N ATOM 0 H GLN A 35 -3.077 -12.276 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.231 -11.543 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.145 -14.267 -5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.086 -13.966 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.976 -13.066 -4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.411 -14.474 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.790 -12.076 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.732 -11.366 -1.517 1.00 0.00 H new ATOM 513 N SER A 36 -0.369 -11.841 -7.630 1.00 0.00 N ATOM 514 CA SER A 36 0.663 -11.940 -8.600 1.00 0.00 C ATOM 515 C SER A 36 0.983 -10.545 -9.094 1.00 0.00 C ATOM 516 O SER A 36 0.066 -9.772 -9.398 1.00 0.00 O ATOM 517 CB SER A 36 0.217 -12.851 -9.748 1.00 0.00 C ATOM 518 OG SER A 36 -0.076 -14.170 -9.263 1.00 0.00 O ATOM 0 H SER A 36 -1.151 -11.253 -7.917 1.00 0.00 H new ATOM 0 HA SER A 36 1.560 -12.381 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.665 -12.431 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.000 -12.902 -10.504 1.00 0.00 H new ATOM 0 HG SER A 36 -0.361 -14.737 -10.010 1.00 0.00 H new ATOM 524 N PRO A 37 2.273 -10.167 -9.109 1.00 0.00 N ATOM 525 CA PRO A 37 3.399 -11.126 -8.923 1.00 0.00 C ATOM 526 C PRO A 37 3.687 -11.411 -7.439 1.00 0.00 C ATOM 527 O PRO A 37 4.164 -12.486 -7.078 1.00 0.00 O ATOM 528 CB PRO A 37 4.584 -10.359 -9.522 1.00 0.00 C ATOM 529 CG PRO A 37 4.192 -8.955 -9.302 1.00 0.00 C ATOM 530 CD PRO A 37 2.762 -8.906 -9.679 1.00 0.00 C ATOM 0 HA PRO A 37 3.192 -12.095 -9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.521 -10.603 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.720 -10.582 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.339 -8.660 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.787 -8.276 -9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.254 -8.039 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.623 -8.861 -10.759 1.00 0.00 H new ATOM 538 N HIS A 38 3.416 -10.441 -6.597 1.00 0.00 N ATOM 539 CA HIS A 38 3.691 -10.569 -5.181 1.00 0.00 C ATOM 540 C HIS A 38 2.498 -11.045 -4.410 1.00 0.00 C ATOM 541 O HIS A 38 1.385 -10.550 -4.579 1.00 0.00 O ATOM 542 CB HIS A 38 4.178 -9.263 -4.582 1.00 0.00 C ATOM 543 CG HIS A 38 5.500 -8.824 -5.073 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.696 -9.110 -4.454 1.00 0.00 N ATOM 545 CD2 HIS A 38 5.805 -8.119 -6.147 1.00 0.00 C ATOM 546 CE1 HIS A 38 7.674 -8.577 -5.160 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.152 -7.978 -6.186 1.00 0.00 N ATOM 0 H HIS A 38 3.003 -9.549 -6.868 1.00 0.00 H new ATOM 0 HA HIS A 38 4.479 -11.317 -5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.447 -8.484 -4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.223 -9.368 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.104 -7.724 -6.868 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.727 -8.630 -4.925 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.673 -7.480 -6.908 1.00 0.00 H new ATOM 556 N ALA A 39 2.746 -11.959 -3.541 1.00 0.00 N ATOM 557 CA ALA A 39 1.728 -12.523 -2.694 1.00 0.00 C ATOM 558 C ALA A 39 1.553 -11.630 -1.487 1.00 0.00 C ATOM 559 O ALA A 39 2.524 -11.023 -1.012 1.00 0.00 O ATOM 560 CB ALA A 39 2.121 -13.924 -2.260 1.00 0.00 C ATOM 0 H ALA A 39 3.675 -12.350 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 39 0.788 -12.589 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.342 -14.339 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.243 -14.557 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.060 -13.884 -1.709 1.00 0.00 H new ATOM 566 N HIS A 40 0.339 -11.492 -1.022 1.00 0.00 N ATOM 567 CA HIS A 40 0.092 -10.655 0.146 1.00 0.00 C ATOM 568 C HIS A 40 -1.189 -11.029 0.868 1.00 0.00 C ATOM 569 O HIS A 40 -2.012 -11.760 0.342 1.00 0.00 O ATOM 570 CB HIS A 40 0.075 -9.158 -0.231 1.00 0.00 C ATOM 571 CG HIS A 40 -0.952 -8.752 -1.260 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.685 -7.868 -2.260 1.00 0.00 N ATOM 573 CD2 HIS A 40 -2.272 -9.042 -1.374 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.784 -7.631 -2.918 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.746 -8.331 -2.402 1.00 0.00 N ATOM 0 H HIS A 40 -0.489 -11.936 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 40 0.919 -10.835 0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.096 -8.576 0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.062 -8.885 -0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.835 -9.721 -0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.879 -6.959 -3.758 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.712 -8.338 -2.729 1.00 0.00 H new ATOM 584 N GLY A 41 -1.382 -10.468 2.040 1.00 0.00 N ATOM 585 CA GLY A 41 -2.570 -10.718 2.777 1.00 0.00 C ATOM 586 C GLY A 41 -3.490 -9.535 2.753 1.00 0.00 C ATOM 587 O GLY A 41 -4.386 -9.419 3.580 1.00 0.00 O ATOM 0 H GLY A 41 -0.722 -9.836 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.081 -11.586 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.315 -10.961 3.808 1.00 0.00 H new ATOM 591 N TYR A 42 -3.295 -8.641 1.791 1.00 0.00 N ATOM 592 CA TYR A 42 -4.126 -7.482 1.712 1.00 0.00 C ATOM 593 C TYR A 42 -5.235 -7.791 0.794 1.00 0.00 C ATOM 594 O TYR A 42 -5.164 -7.543 -0.394 1.00 0.00 O ATOM 595 CB TYR A 42 -3.358 -6.223 1.281 1.00 0.00 C ATOM 596 CG TYR A 42 -2.362 -5.713 2.297 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.180 -6.343 3.519 1.00 0.00 C ATOM 598 CD2 TYR A 42 -1.598 -4.599 2.028 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.277 -5.875 4.427 1.00 0.00 C ATOM 600 CE2 TYR A 42 -0.679 -4.136 2.938 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.526 -4.775 4.135 1.00 0.00 C ATOM 602 OH TYR A 42 0.431 -4.356 5.030 1.00 0.00 O ATOM 0 H TYR A 42 -2.575 -8.708 1.072 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.510 -7.246 2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.831 -6.436 0.351 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.076 -5.431 1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.764 -7.220 3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.723 -4.082 1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.157 -6.375 5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.079 -3.268 2.707 1.00 0.00 H new ATOM 0 HH TYR A 42 0.307 -3.402 5.219 1.00 0.00 H new ATOM 612 N ILE A 43 -6.163 -8.495 1.331 1.00 0.00 N ATOM 613 CA ILE A 43 -7.327 -8.894 0.613 1.00 0.00 C ATOM 614 C ILE A 43 -8.388 -7.791 0.757 1.00 0.00 C ATOM 615 O ILE A 43 -8.778 -7.445 1.880 1.00 0.00 O ATOM 616 CB ILE A 43 -7.866 -10.217 1.218 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.726 -11.245 1.394 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.982 -10.795 0.374 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.010 -11.631 0.119 1.00 0.00 C ATOM 0 H ILE A 43 -6.139 -8.818 2.298 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.092 -9.048 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.277 -9.988 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.996 -10.839 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.137 -12.146 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.337 -11.721 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.803 -10.080 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.610 -11.000 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.228 -12.356 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.722 -12.072 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.563 -10.744 -0.330 1.00 0.00 H new ATOM 631 N PRO A 44 -8.909 -7.250 -0.359 1.00 0.00 N ATOM 632 CA PRO A 44 -9.901 -6.161 -0.325 1.00 0.00 C ATOM 633 C PRO A 44 -11.258 -6.619 0.173 1.00 0.00 C ATOM 634 O PRO A 44 -12.151 -5.809 0.417 1.00 0.00 O ATOM 635 CB PRO A 44 -10.014 -5.702 -1.778 1.00 0.00 C ATOM 636 CG PRO A 44 -8.909 -6.380 -2.514 1.00 0.00 C ATOM 637 CD PRO A 44 -8.557 -7.613 -1.739 1.00 0.00 C ATOM 0 HA PRO A 44 -9.587 -5.374 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.984 -5.971 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.924 -4.618 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.221 -6.637 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.045 -5.722 -2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.120 -8.480 -2.084 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.500 -7.861 -1.834 1.00 0.00 H new ATOM 645 N SER A 45 -11.408 -7.908 0.331 1.00 0.00 N ATOM 646 CA SER A 45 -12.619 -8.472 0.810 1.00 0.00 C ATOM 647 C SER A 45 -12.675 -8.307 2.323 1.00 0.00 C ATOM 648 O SER A 45 -13.732 -8.082 2.900 1.00 0.00 O ATOM 649 CB SER A 45 -12.658 -9.945 0.421 1.00 0.00 C ATOM 650 OG SER A 45 -12.342 -10.094 -0.964 1.00 0.00 O ATOM 0 H SER A 45 -10.680 -8.592 0.126 1.00 0.00 H new ATOM 0 HA SER A 45 -13.482 -7.969 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.948 -10.508 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.647 -10.357 0.623 1.00 0.00 H new ATOM 0 HG SER A 45 -12.368 -11.044 -1.205 1.00 0.00 H new ATOM 656 N LYS A 46 -11.510 -8.353 2.952 1.00 0.00 N ATOM 657 CA LYS A 46 -11.429 -8.282 4.365 1.00 0.00 C ATOM 658 C LYS A 46 -11.097 -6.858 4.827 1.00 0.00 C ATOM 659 O LYS A 46 -11.442 -6.461 5.938 1.00 0.00 O ATOM 660 CB LYS A 46 -10.418 -9.313 4.859 1.00 0.00 C ATOM 661 CG LYS A 46 -8.965 -9.014 4.538 1.00 0.00 C ATOM 662 CD LYS A 46 -7.998 -10.178 4.877 1.00 0.00 C ATOM 663 CE LYS A 46 -7.717 -10.362 6.385 1.00 0.00 C ATOM 664 NZ LYS A 46 -8.860 -10.863 7.172 1.00 0.00 N ATOM 0 H LYS A 46 -10.610 -8.440 2.481 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.398 -8.521 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.521 -9.407 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.674 -10.281 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.878 -8.778 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.656 -8.125 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.414 -11.105 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.052 -10.009 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.882 -11.053 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.400 -9.405 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.517 -11.515 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.349 -10.063 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.520 -11.365 6.544 1.00 0.00 H new ATOM 678 N PHE A 47 -10.468 -6.072 3.949 1.00 0.00 N ATOM 679 CA PHE A 47 -10.139 -4.680 4.279 1.00 0.00 C ATOM 680 C PHE A 47 -10.760 -3.702 3.245 1.00 0.00 C ATOM 681 O PHE A 47 -10.033 -2.946 2.592 1.00 0.00 O ATOM 682 CB PHE A 47 -8.609 -4.445 4.307 1.00 0.00 C ATOM 683 CG PHE A 47 -7.804 -5.410 5.145 1.00 0.00 C ATOM 684 CD1 PHE A 47 -8.021 -5.534 6.508 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.808 -6.176 4.559 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.260 -6.408 7.267 1.00 0.00 C ATOM 687 CE2 PHE A 47 -6.049 -7.049 5.312 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.275 -7.164 6.668 1.00 0.00 C ATOM 0 H PHE A 47 -10.179 -6.369 3.017 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.552 -4.491 5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.237 -4.486 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.424 -3.435 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.791 -4.944 6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.623 -6.088 3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.438 -6.497 8.328 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.279 -7.641 4.840 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.681 -7.845 7.259 1.00 0.00 H new ATOM 698 N PRO A 48 -12.105 -3.676 3.076 1.00 0.00 N ATOM 699 CA PRO A 48 -12.743 -2.785 2.094 1.00 0.00 C ATOM 700 C PRO A 48 -12.797 -1.356 2.627 1.00 0.00 C ATOM 701 O PRO A 48 -12.804 -0.374 1.881 1.00 0.00 O ATOM 702 CB PRO A 48 -14.152 -3.350 2.002 1.00 0.00 C ATOM 703 CG PRO A 48 -14.410 -3.873 3.370 1.00 0.00 C ATOM 704 CD PRO A 48 -13.116 -4.481 3.808 1.00 0.00 C ATOM 0 HA PRO A 48 -12.216 -2.744 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.874 -2.582 1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.220 -4.138 1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.718 -3.075 4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.211 -4.613 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.982 -4.412 4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.057 -5.538 3.546 1.00 0.00 H new ATOM 712 N ASN A 49 -12.792 -1.281 3.935 1.00 0.00 N ATOM 713 CA ASN A 49 -12.884 -0.065 4.707 1.00 0.00 C ATOM 714 C ASN A 49 -11.711 0.882 4.470 1.00 0.00 C ATOM 715 O ASN A 49 -11.840 2.091 4.678 1.00 0.00 O ATOM 716 CB ASN A 49 -13.006 -0.409 6.202 1.00 0.00 C ATOM 717 CG ASN A 49 -11.787 -1.125 6.797 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.046 -1.829 6.105 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.599 -0.981 8.079 1.00 0.00 N ATOM 0 H ASN A 49 -12.720 -2.112 4.522 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.777 0.463 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.177 0.512 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.885 -1.037 6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.822 -1.457 8.537 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.229 -0.392 8.624 1.00 0.00 H new ATOM 726 N LYS A 50 -10.580 0.355 4.035 1.00 0.00 N ATOM 727 CA LYS A 50 -9.440 1.182 3.771 1.00 0.00 C ATOM 728 C LYS A 50 -9.345 1.525 2.287 1.00 0.00 C ATOM 729 O LYS A 50 -8.353 2.112 1.848 1.00 0.00 O ATOM 730 CB LYS A 50 -8.151 0.499 4.206 1.00 0.00 C ATOM 731 CG LYS A 50 -8.046 0.088 5.679 1.00 0.00 C ATOM 732 CD LYS A 50 -8.477 1.204 6.635 1.00 0.00 C ATOM 733 CE LYS A 50 -8.139 0.879 8.095 1.00 0.00 C ATOM 734 NZ LYS A 50 -6.693 1.040 8.382 1.00 0.00 N ATOM 0 H LYS A 50 -10.437 -0.640 3.861 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.570 2.099 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.017 -0.393 3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.320 1.168 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.665 -0.792 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.018 -0.197 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.987 2.135 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.551 1.367 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.714 1.531 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.440 -0.145 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.504 0.778 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.143 0.425 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.417 2.031 8.228 1.00 0.00 H new ATOM 748 N ASN A 51 -10.387 1.161 1.529 1.00 0.00 N ATOM 749 CA ASN A 51 -10.461 1.375 0.078 1.00 0.00 C ATOM 750 C ASN A 51 -9.350 0.677 -0.643 1.00 0.00 C ATOM 751 O ASN A 51 -8.699 1.235 -1.514 1.00 0.00 O ATOM 752 CB ASN A 51 -10.488 2.851 -0.308 1.00 0.00 C ATOM 753 CG ASN A 51 -11.789 3.532 0.006 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.471 3.210 0.974 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.166 4.444 -0.829 1.00 0.00 N ATOM 0 H ASN A 51 -11.214 0.703 1.912 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.411 0.939 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.682 3.369 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.288 2.942 -1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.057 4.922 -0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.573 4.686 -1.623 1.00 0.00 H new ATOM 762 N LEU A 52 -9.144 -0.553 -0.294 1.00 0.00 N ATOM 763 CA LEU A 52 -8.122 -1.346 -0.898 1.00 0.00 C ATOM 764 C LEU A 52 -8.624 -1.791 -2.287 1.00 0.00 C ATOM 765 O LEU A 52 -9.267 -2.817 -2.405 1.00 0.00 O ATOM 766 CB LEU A 52 -7.878 -2.547 0.008 1.00 0.00 C ATOM 767 CG LEU A 52 -6.614 -3.331 -0.210 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.412 -2.499 0.191 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.658 -4.604 0.584 1.00 0.00 C ATOM 0 H LEU A 52 -9.684 -1.038 0.423 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.190 -0.795 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.884 -2.197 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.721 -3.229 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.527 -3.581 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.501 -3.075 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.380 -1.592 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.490 -2.231 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.739 -5.167 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.756 -4.369 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.511 -5.203 0.265 1.00 0.00 H new ATOM 781 N LYS A 53 -8.430 -0.965 -3.315 1.00 0.00 N ATOM 782 CA LYS A 53 -9.005 -1.286 -4.622 1.00 0.00 C ATOM 783 C LYS A 53 -7.995 -1.165 -5.750 1.00 0.00 C ATOM 784 O LYS A 53 -7.151 -0.268 -5.754 1.00 0.00 O ATOM 785 CB LYS A 53 -10.160 -0.342 -4.940 1.00 0.00 C ATOM 786 CG LYS A 53 -11.173 -0.099 -3.804 1.00 0.00 C ATOM 787 CD LYS A 53 -12.408 -1.009 -3.848 1.00 0.00 C ATOM 788 CE LYS A 53 -12.094 -2.503 -3.765 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.328 -3.329 -3.783 1.00 0.00 N ATOM 0 H LYS A 53 -7.897 -0.096 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.344 -2.320 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.744 0.620 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.699 -0.738 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.668 -0.239 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.501 0.940 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.070 -0.743 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.954 -0.816 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.455 -2.787 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.534 -2.706 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.073 -4.336 -3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.927 -3.076 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.850 -3.154 -4.666 1.00 0.00 H new ATOM 803 N LYS A 54 -8.164 -2.029 -6.724 1.00 0.00 N ATOM 804 CA LYS A 54 -7.342 -2.107 -7.938 1.00 0.00 C ATOM 805 C LYS A 54 -5.854 -2.037 -7.629 1.00 0.00 C ATOM 806 O LYS A 54 -5.399 -2.692 -6.723 1.00 0.00 O ATOM 807 CB LYS A 54 -7.796 -1.064 -8.990 1.00 0.00 C ATOM 808 CG LYS A 54 -9.202 -1.306 -9.581 1.00 0.00 C ATOM 809 CD LYS A 54 -9.237 -2.351 -10.738 1.00 0.00 C ATOM 810 CE LYS A 54 -8.777 -3.758 -10.340 1.00 0.00 C ATOM 811 NZ LYS A 54 -8.925 -4.728 -11.442 1.00 0.00 N ATOM 0 H LYS A 54 -8.904 -2.731 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.501 -3.089 -8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.776 -0.075 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.072 -1.053 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.866 -1.640 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.597 -0.359 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.254 -2.411 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.607 -1.994 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.733 -3.722 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.355 -4.097 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.602 -5.665 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.925 -4.784 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.353 -4.420 -12.254 1.00 0.00 H new ATOM 825 N ASN A 55 -5.112 -1.279 -8.384 1.00 0.00 N ATOM 826 CA ASN A 55 -3.682 -1.144 -8.174 1.00 0.00 C ATOM 827 C ASN A 55 -3.380 0.321 -7.892 1.00 0.00 C ATOM 828 O ASN A 55 -2.335 0.854 -8.248 1.00 0.00 O ATOM 829 CB ASN A 55 -2.918 -1.632 -9.422 1.00 0.00 C ATOM 830 CG ASN A 55 -3.078 -0.740 -10.647 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.134 -0.124 -10.878 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.041 -0.647 -11.430 1.00 0.00 N ATOM 0 H ASN A 55 -5.473 -0.733 -9.166 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.361 -1.753 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.858 -1.707 -9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.259 -2.637 -9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.080 -0.056 -12.260 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.190 -1.165 -11.213 1.00 0.00 H new ATOM 839 N TYR A 56 -4.312 0.956 -7.243 1.00 0.00 N ATOM 840 CA TYR A 56 -4.209 2.351 -6.938 1.00 0.00 C ATOM 841 C TYR A 56 -3.530 2.528 -5.608 1.00 0.00 C ATOM 842 O TYR A 56 -3.847 1.791 -4.662 1.00 0.00 O ATOM 843 CB TYR A 56 -5.590 2.961 -6.909 1.00 0.00 C ATOM 844 CG TYR A 56 -6.392 2.852 -8.192 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.787 2.713 -9.457 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.770 2.879 -8.135 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.560 2.613 -10.596 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.537 2.782 -9.266 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.934 2.650 -10.489 1.00 0.00 C ATOM 850 OH TYR A 56 -8.713 2.564 -11.612 1.00 0.00 O ATOM 0 H TYR A 56 -5.170 0.517 -6.909 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.616 2.853 -7.703 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.158 2.488 -6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.494 4.016 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.710 2.684 -9.536 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.256 2.979 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.092 2.507 -11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.614 2.810 -9.194 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.659 2.605 -11.358 1.00 0.00 H new ATOM 860 N CYS A 57 -2.649 3.524 -5.513 1.00 0.00 N ATOM 861 CA CYS A 57 -1.836 3.721 -4.308 1.00 0.00 C ATOM 862 C CYS A 57 -2.711 4.016 -3.125 1.00 0.00 C ATOM 863 O CYS A 57 -3.417 5.023 -3.103 1.00 0.00 O ATOM 864 CB CYS A 57 -0.857 4.870 -4.467 1.00 0.00 C ATOM 865 SG CYS A 57 0.275 4.758 -5.885 1.00 0.00 S ATOM 0 H CYS A 57 -2.479 4.206 -6.252 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.280 2.796 -4.152 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.425 5.796 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.262 4.944 -3.557 1.00 0.00 H new ATOM 870 N ARG A 58 -2.672 3.158 -2.151 1.00 0.00 N ATOM 871 CA ARG A 58 -3.492 3.316 -0.990 1.00 0.00 C ATOM 872 C ARG A 58 -2.654 3.278 0.249 1.00 0.00 C ATOM 873 O ARG A 58 -1.466 2.962 0.196 1.00 0.00 O ATOM 874 CB ARG A 58 -4.579 2.226 -0.904 1.00 0.00 C ATOM 875 CG ARG A 58 -5.615 2.235 -1.971 1.00 0.00 C ATOM 876 CD ARG A 58 -6.113 3.635 -2.255 1.00 0.00 C ATOM 877 NE ARG A 58 -7.417 3.679 -2.920 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.874 2.944 -3.941 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.113 2.060 -4.523 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.111 3.109 -4.362 1.00 0.00 N ATOM 0 H ARG A 58 -2.073 2.332 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.984 4.285 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.088 1.253 -0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.081 2.320 0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.202 1.804 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.452 1.605 -1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.177 4.185 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.382 4.151 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.071 4.369 -2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.155 1.921 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.476 1.507 -5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.716 3.795 -3.910 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.464 2.551 -5.140 1.00 0.00 H new ATOM 894 N ASN A 59 -3.259 3.613 1.335 1.00 0.00 N ATOM 895 CA ASN A 59 -2.643 3.531 2.633 1.00 0.00 C ATOM 896 C ASN A 59 -3.635 2.785 3.513 1.00 0.00 C ATOM 897 O ASN A 59 -4.503 3.386 4.126 1.00 0.00 O ATOM 898 CB ASN A 59 -2.343 4.945 3.205 1.00 0.00 C ATOM 899 CG ASN A 59 -1.633 4.935 4.561 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.707 3.986 5.321 1.00 0.00 O ATOM 901 ND2 ASN A 59 -0.983 6.017 4.895 1.00 0.00 N ATOM 0 H ASN A 59 -4.218 3.961 1.356 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.684 3.016 2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.728 5.491 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.281 5.492 3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.527 6.077 5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.932 6.802 4.246 1.00 0.00 H new ATOM 908 N PRO A 60 -3.602 1.449 3.478 1.00 0.00 N ATOM 909 CA PRO A 60 -4.549 0.634 4.221 1.00 0.00 C ATOM 910 C PRO A 60 -4.083 0.275 5.622 1.00 0.00 C ATOM 911 O PRO A 60 -4.865 0.254 6.574 1.00 0.00 O ATOM 912 CB PRO A 60 -4.639 -0.623 3.370 1.00 0.00 C ATOM 913 CG PRO A 60 -3.269 -0.765 2.752 1.00 0.00 C ATOM 914 CD PRO A 60 -2.672 0.624 2.668 1.00 0.00 C ATOM 0 HA PRO A 60 -5.491 1.160 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.893 -1.494 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.411 -0.530 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.640 -1.419 3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.338 -1.215 1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.659 0.650 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.617 0.976 1.638 1.00 0.00 H new ATOM 922 N ASP A 61 -2.833 0.004 5.730 1.00 0.00 N ATOM 923 CA ASP A 61 -2.223 -0.467 6.932 1.00 0.00 C ATOM 924 C ASP A 61 -1.743 0.650 7.835 1.00 0.00 C ATOM 925 O ASP A 61 -1.284 0.401 8.967 1.00 0.00 O ATOM 926 CB ASP A 61 -1.104 -1.435 6.592 1.00 0.00 C ATOM 927 CG ASP A 61 -0.096 -0.936 5.561 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.137 0.259 5.160 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.730 -1.758 5.140 1.00 0.00 O ATOM 0 H ASP A 61 -2.176 0.106 4.956 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.988 -0.991 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.568 -1.681 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.547 -2.360 6.224 1.00 0.00 H new ATOM 934 N ARG A 62 -1.868 1.868 7.358 1.00 0.00 N ATOM 935 CA ARG A 62 -1.527 3.066 8.107 1.00 0.00 C ATOM 936 C ARG A 62 -0.039 3.355 8.214 1.00 0.00 C ATOM 937 O ARG A 62 0.544 3.338 9.306 1.00 0.00 O ATOM 938 CB ARG A 62 -2.266 3.181 9.455 1.00 0.00 C ATOM 939 CG ARG A 62 -3.748 3.343 9.270 1.00 0.00 C ATOM 940 CD ARG A 62 -4.526 3.344 10.568 1.00 0.00 C ATOM 941 NE ARG A 62 -5.925 3.645 10.275 1.00 0.00 N ATOM 942 CZ ARG A 62 -6.973 3.461 11.051 1.00 0.00 C ATOM 943 NH1 ARG A 62 -6.864 2.781 12.181 1.00 0.00 N ATOM 944 NH2 ARG A 62 -8.158 3.902 10.637 1.00 0.00 N ATOM 0 H ARG A 62 -2.217 2.062 6.419 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.911 3.875 7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.070 2.291 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.875 4.032 10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.939 4.277 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.117 2.536 8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.443 2.374 11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.116 4.085 11.254 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.113 4.047 9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.962 2.394 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.682 2.644 12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.241 4.371 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.984 3.771 11.221 1.00 0.00 H new ATOM 958 N ASP A 63 0.590 3.536 7.080 1.00 0.00 N ATOM 959 CA ASP A 63 1.952 4.066 7.024 1.00 0.00 C ATOM 960 C ASP A 63 1.832 5.623 7.025 1.00 0.00 C ATOM 961 O ASP A 63 0.758 6.160 7.368 1.00 0.00 O ATOM 962 CB ASP A 63 2.694 3.556 5.758 1.00 0.00 C ATOM 963 CG ASP A 63 4.154 3.989 5.746 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.944 3.447 6.514 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.503 4.937 5.041 1.00 0.00 O ATOM 0 H ASP A 63 0.185 3.325 6.168 1.00 0.00 H new ATOM 0 HA ASP A 63 2.537 3.728 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.637 2.468 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.195 3.935 4.866 1.00 0.00 H new ATOM 970 N LEU A 64 2.863 6.331 6.645 1.00 0.00 N ATOM 971 CA LEU A 64 2.880 7.785 6.681 1.00 0.00 C ATOM 972 C LEU A 64 2.318 8.351 5.388 1.00 0.00 C ATOM 973 O LEU A 64 1.766 9.457 5.370 1.00 0.00 O ATOM 974 CB LEU A 64 4.310 8.289 6.885 1.00 0.00 C ATOM 975 CG LEU A 64 5.037 7.784 8.134 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.453 8.319 8.170 1.00 0.00 C ATOM 977 CD2 LEU A 64 4.289 8.179 9.400 1.00 0.00 C ATOM 0 H LEU A 64 3.728 5.918 6.297 1.00 0.00 H new ATOM 0 HA LEU A 64 2.260 8.119 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.899 8.010 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.287 9.378 6.920 1.00 0.00 H new ATOM 0 HG LEU A 64 5.073 6.696 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.958 7.952 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.992 7.982 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.430 9.409 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.828 7.807 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.215 9.265 9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.288 7.748 9.381 1.00 0.00 H new ATOM 989 N ARG A 65 2.479 7.600 4.322 1.00 0.00 N ATOM 990 CA ARG A 65 1.986 7.953 3.017 1.00 0.00 C ATOM 991 C ARG A 65 1.495 6.711 2.317 1.00 0.00 C ATOM 992 O ARG A 65 1.929 5.613 2.655 1.00 0.00 O ATOM 993 CB ARG A 65 3.086 8.562 2.154 1.00 0.00 C ATOM 994 CG ARG A 65 3.173 10.068 2.162 1.00 0.00 C ATOM 995 CD ARG A 65 4.150 10.522 1.097 1.00 0.00 C ATOM 996 NE ARG A 65 4.124 11.973 0.878 1.00 0.00 N ATOM 997 CZ ARG A 65 4.544 12.564 -0.258 1.00 0.00 C ATOM 998 NH1 ARG A 65 5.157 11.837 -1.192 1.00 0.00 N ATOM 999 NH2 ARG A 65 4.371 13.873 -0.442 1.00 0.00 N ATOM 0 H ARG A 65 2.969 6.706 4.343 1.00 0.00 H new ATOM 0 HA ARG A 65 1.185 8.680 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.044 8.160 2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.939 8.231 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.190 10.501 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.497 10.419 3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.158 10.221 1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.920 10.014 0.160 1.00 0.00 H new ATOM 0 HE ARG A 65 3.768 12.567 1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.306 10.839 -1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.477 12.279 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.918 14.434 0.280 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.691 14.314 -1.304 1.00 0.00 H new ATOM 1013 N PRO A 66 0.552 6.851 1.364 1.00 0.00 N ATOM 1014 CA PRO A 66 0.121 5.753 0.522 1.00 0.00 C ATOM 1015 C PRO A 66 1.265 5.173 -0.263 1.00 0.00 C ATOM 1016 O PRO A 66 2.231 5.868 -0.653 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.895 6.396 -0.419 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.425 7.489 0.392 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.220 8.058 1.073 1.00 0.00 C ATOM 0 HA PRO A 66 -0.288 4.926 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.428 6.759 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.675 5.695 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.924 8.237 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.158 7.130 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.326 8.748 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.482 8.605 1.979 1.00 0.00 H new ATOM 1027 N TRP A 67 1.135 3.949 -0.541 1.00 0.00 N ATOM 1028 CA TRP A 67 2.134 3.199 -1.162 1.00 0.00 C ATOM 1029 C TRP A 67 1.462 2.159 -2.004 1.00 0.00 C ATOM 1030 O TRP A 67 0.226 2.155 -2.097 1.00 0.00 O ATOM 1031 CB TRP A 67 3.083 2.593 -0.105 1.00 0.00 C ATOM 1032 CG TRP A 67 2.436 1.689 0.917 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.847 2.055 2.104 1.00 0.00 C ATOM 1034 CD2 TRP A 67 2.347 0.266 0.854 1.00 0.00 C ATOM 1035 NE1 TRP A 67 1.398 0.936 2.764 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.700 -0.167 2.017 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.753 -0.685 -0.078 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 1.459 -1.499 2.267 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 2.508 -2.012 0.174 1.00 0.00 C ATOM 1040 CH2 TRP A 67 1.869 -2.410 1.338 1.00 0.00 C ATOM 0 H TRP A 67 0.291 3.416 -0.333 1.00 0.00 H new ATOM 0 HA TRP A 67 2.757 3.821 -1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.859 2.029 -0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.579 3.409 0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.751 3.069 2.464 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.918 0.930 3.664 1.00 0.00 H new ATOM 0 HE3 TRP A 67 3.253 -0.383 -0.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.960 -1.814 3.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.817 -2.756 -0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.692 -3.461 1.513 1.00 0.00 H new ATOM 1051 N CYS A 68 2.215 1.315 -2.625 1.00 0.00 N ATOM 1052 CA CYS A 68 1.645 0.331 -3.466 1.00 0.00 C ATOM 1053 C CYS A 68 2.624 -0.804 -3.661 1.00 0.00 C ATOM 1054 O CYS A 68 3.844 -0.609 -3.509 1.00 0.00 O ATOM 1055 CB CYS A 68 1.285 0.968 -4.801 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.409 0.635 -5.328 1.00 0.00 S ATOM 0 H CYS A 68 3.233 1.291 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 68 0.741 -0.072 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.429 2.046 -4.730 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.972 0.604 -5.565 1.00 0.00 H new ATOM 1061 N PHE A 69 2.110 -1.986 -3.952 1.00 0.00 N ATOM 1062 CA PHE A 69 2.958 -3.118 -4.237 1.00 0.00 C ATOM 1063 C PHE A 69 3.477 -2.965 -5.625 1.00 0.00 C ATOM 1064 O PHE A 69 2.746 -2.522 -6.505 1.00 0.00 O ATOM 1065 CB PHE A 69 2.210 -4.448 -4.120 1.00 0.00 C ATOM 1066 CG PHE A 69 2.077 -4.992 -2.730 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.104 -5.738 -2.171 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.933 -4.787 -1.991 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.984 -6.265 -0.904 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.808 -5.308 -0.719 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.834 -6.049 -0.176 1.00 0.00 C ATOM 0 H PHE A 69 1.110 -2.182 -3.996 1.00 0.00 H new ATOM 0 HA PHE A 69 3.767 -3.138 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.212 -4.322 -4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.722 -5.189 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.009 -5.908 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.123 -4.211 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.790 -6.847 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.094 -5.135 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.738 -6.460 0.818 1.00 0.00 H new ATOM 1081 N THR A 70 4.701 -3.283 -5.836 1.00 0.00 N ATOM 1082 CA THR A 70 5.248 -3.137 -7.130 1.00 0.00 C ATOM 1083 C THR A 70 4.992 -4.395 -7.929 1.00 0.00 C ATOM 1084 O THR A 70 4.953 -5.490 -7.372 1.00 0.00 O ATOM 1085 CB THR A 70 6.742 -2.928 -7.030 1.00 0.00 C ATOM 1086 OG1 THR A 70 7.064 -2.441 -5.722 1.00 0.00 O ATOM 1087 CG2 THR A 70 7.182 -1.915 -8.049 1.00 0.00 C ATOM 0 H THR A 70 5.341 -3.645 -5.129 1.00 0.00 H new ATOM 0 HA THR A 70 4.784 -2.280 -7.618 1.00 0.00 H new ATOM 0 HB THR A 70 7.251 -3.875 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.636 -1.649 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.259 -1.767 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.934 -2.273 -9.048 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.672 -0.969 -7.865 1.00 0.00 H new ATOM 1095 N THR A 71 4.839 -4.256 -9.218 1.00 0.00 N ATOM 1096 CA THR A 71 4.675 -5.405 -10.065 1.00 0.00 C ATOM 1097 C THR A 71 6.071 -5.903 -10.524 1.00 0.00 C ATOM 1098 O THR A 71 6.196 -6.751 -11.422 1.00 0.00 O ATOM 1099 CB THR A 71 3.742 -5.087 -11.281 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.440 -6.286 -12.011 1.00 0.00 O ATOM 1101 CG2 THR A 71 4.365 -4.075 -12.231 1.00 0.00 C ATOM 0 H THR A 71 4.825 -3.359 -9.704 1.00 0.00 H new ATOM 0 HA THR A 71 4.188 -6.200 -9.501 1.00 0.00 H new ATOM 0 HB THR A 71 2.827 -4.658 -10.872 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.260 -6.808 -12.136 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.682 -3.885 -13.059 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.555 -3.144 -11.697 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.304 -4.470 -12.618 1.00 0.00 H new ATOM 1109 N ASP A 72 7.097 -5.424 -9.831 1.00 0.00 N ATOM 1110 CA ASP A 72 8.458 -5.727 -10.128 1.00 0.00 C ATOM 1111 C ASP A 72 8.877 -6.851 -9.203 1.00 0.00 C ATOM 1112 O ASP A 72 8.671 -6.748 -8.004 1.00 0.00 O ATOM 1113 CB ASP A 72 9.303 -4.478 -9.867 1.00 0.00 C ATOM 1114 CG ASP A 72 10.755 -4.677 -10.155 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.477 -5.196 -9.296 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.206 -4.305 -11.246 1.00 0.00 O ATOM 0 H ASP A 72 6.984 -4.801 -9.031 1.00 0.00 H new ATOM 0 HA ASP A 72 8.590 -6.028 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.927 -3.659 -10.480 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.184 -4.178 -8.826 1.00 0.00 H new ATOM 1121 N PRO A 73 9.434 -7.945 -9.736 1.00 0.00 N ATOM 1122 CA PRO A 73 9.797 -9.136 -8.934 1.00 0.00 C ATOM 1123 C PRO A 73 10.880 -8.892 -7.868 1.00 0.00 C ATOM 1124 O PRO A 73 11.017 -9.676 -6.921 1.00 0.00 O ATOM 1125 CB PRO A 73 10.272 -10.159 -9.964 1.00 0.00 C ATOM 1126 CG PRO A 73 10.540 -9.393 -11.216 1.00 0.00 C ATOM 1127 CD PRO A 73 9.728 -8.132 -11.166 1.00 0.00 C ATOM 0 HA PRO A 73 8.937 -9.463 -8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.171 -10.670 -9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.514 -10.925 -10.130 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.601 -9.160 -11.302 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.272 -9.985 -12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.282 -7.286 -11.572 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.813 -8.225 -11.751 1.00 0.00 H new ATOM 1135 N ASN A 74 11.635 -7.834 -8.022 1.00 0.00 N ATOM 1136 CA ASN A 74 12.654 -7.483 -7.051 1.00 0.00 C ATOM 1137 C ASN A 74 12.055 -6.595 -5.991 1.00 0.00 C ATOM 1138 O ASN A 74 12.268 -6.805 -4.786 1.00 0.00 O ATOM 1139 CB ASN A 74 13.812 -6.733 -7.728 1.00 0.00 C ATOM 1140 CG ASN A 74 14.817 -6.131 -6.742 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.102 -6.688 -5.678 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.328 -4.970 -7.076 1.00 0.00 N ATOM 0 H ASN A 74 11.567 -7.194 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 74 13.035 -8.401 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.336 -7.418 -8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.403 -5.935 -8.348 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.982 -4.501 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.072 -4.536 -7.963 1.00 0.00 H new ATOM 1149 N LYS A 75 11.261 -5.645 -6.435 1.00 0.00 N ATOM 1150 CA LYS A 75 10.752 -4.630 -5.574 1.00 0.00 C ATOM 1151 C LYS A 75 9.553 -5.132 -4.819 1.00 0.00 C ATOM 1152 O LYS A 75 8.574 -5.581 -5.420 1.00 0.00 O ATOM 1153 CB LYS A 75 10.351 -3.407 -6.378 1.00 0.00 C ATOM 1154 CG LYS A 75 10.276 -2.135 -5.548 1.00 0.00 C ATOM 1155 CD LYS A 75 11.597 -1.845 -4.869 1.00 0.00 C ATOM 1156 CE LYS A 75 11.554 -0.565 -4.085 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.804 -0.351 -3.363 1.00 0.00 N ATOM 0 H LYS A 75 10.957 -5.565 -7.405 1.00 0.00 H new ATOM 0 HA LYS A 75 11.539 -4.362 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.067 -3.262 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.381 -3.588 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.001 -1.296 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.492 -2.234 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.852 -2.670 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.385 -1.785 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.371 0.272 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.723 -0.594 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.749 0.540 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.964 -1.140 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.592 -0.300 -4.040 1.00 0.00 H new ATOM 1171 N ARG A 76 9.611 -5.029 -3.525 1.00 0.00 N ATOM 1172 CA ARG A 76 8.532 -5.487 -2.688 1.00 0.00 C ATOM 1173 C ARG A 76 7.388 -4.502 -2.797 1.00 0.00 C ATOM 1174 O ARG A 76 6.286 -4.848 -3.236 1.00 0.00 O ATOM 1175 CB ARG A 76 8.993 -5.599 -1.236 1.00 0.00 C ATOM 1176 CG ARG A 76 8.112 -6.469 -0.366 1.00 0.00 C ATOM 1177 CD ARG A 76 8.259 -7.926 -0.765 1.00 0.00 C ATOM 1178 NE ARG A 76 7.487 -8.818 0.095 1.00 0.00 N ATOM 1179 CZ ARG A 76 8.019 -9.579 1.060 1.00 0.00 C ATOM 1180 NH1 ARG A 76 9.333 -9.590 1.258 1.00 0.00 N ATOM 1181 NH2 ARG A 76 7.245 -10.360 1.783 1.00 0.00 N ATOM 0 H ARG A 76 10.400 -4.628 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 76 8.207 -6.474 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.007 -5.998 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.037 -4.600 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.384 -6.342 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.071 -6.160 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.935 -8.052 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.311 -8.207 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 76 6.478 -8.865 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.942 -9.017 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.733 -10.171 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.240 -10.386 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.650 -10.940 2.518 1.00 0.00 H new ATOM 1195 N TRP A 77 7.669 -3.282 -2.437 1.00 0.00 N ATOM 1196 CA TRP A 77 6.707 -2.225 -2.509 1.00 0.00 C ATOM 1197 C TRP A 77 7.397 -0.898 -2.634 1.00 0.00 C ATOM 1198 O TRP A 77 8.607 -0.791 -2.399 1.00 0.00 O ATOM 1199 CB TRP A 77 5.721 -2.238 -1.323 1.00 0.00 C ATOM 1200 CG TRP A 77 6.321 -2.109 0.058 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.810 -3.111 0.844 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.447 -0.904 0.830 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.239 -2.602 2.046 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.027 -1.252 2.059 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.129 0.435 0.594 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.293 -0.316 3.052 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.393 1.365 1.578 1.00 0.00 C ATOM 1208 CH2 TRP A 77 6.970 0.986 2.794 1.00 0.00 C ATOM 0 H TRP A 77 8.581 -2.993 -2.083 1.00 0.00 H new ATOM 0 HA TRP A 77 6.108 -2.392 -3.404 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.010 -1.424 -1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.153 -3.168 -1.362 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.854 -4.153 0.562 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.650 -3.144 2.806 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.684 0.737 -0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.738 -0.607 3.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.150 2.403 1.406 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.164 1.738 3.545 1.00 0.00 H new ATOM 1219 N GLU A 78 6.638 0.083 -3.007 1.00 0.00 N ATOM 1220 CA GLU A 78 7.117 1.434 -3.214 1.00 0.00 C ATOM 1221 C GLU A 78 6.124 2.414 -2.682 1.00 0.00 C ATOM 1222 O GLU A 78 4.927 2.121 -2.617 1.00 0.00 O ATOM 1223 CB GLU A 78 7.283 1.720 -4.706 1.00 0.00 C ATOM 1224 CG GLU A 78 8.523 1.166 -5.352 1.00 0.00 C ATOM 1225 CD GLU A 78 9.742 2.003 -5.069 1.00 0.00 C ATOM 1226 OE1 GLU A 78 10.049 2.262 -3.903 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.408 2.428 -6.027 1.00 0.00 O ATOM 0 H GLU A 78 5.639 -0.025 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 78 8.073 1.530 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.415 1.320 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.274 2.800 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.692 0.150 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.371 1.104 -6.430 1.00 0.00 H new ATOM 1234 N TYR A 79 6.610 3.567 -2.317 1.00 0.00 N ATOM 1235 CA TYR A 79 5.769 4.660 -1.926 1.00 0.00 C ATOM 1236 C TYR A 79 5.170 5.286 -3.141 1.00 0.00 C ATOM 1237 O TYR A 79 5.688 5.140 -4.261 1.00 0.00 O ATOM 1238 CB TYR A 79 6.555 5.738 -1.187 1.00 0.00 C ATOM 1239 CG TYR A 79 6.695 5.530 0.281 1.00 0.00 C ATOM 1240 CD1 TYR A 79 7.727 4.780 0.820 1.00 0.00 C ATOM 1241 CD2 TYR A 79 5.792 6.120 1.141 1.00 0.00 C ATOM 1242 CE1 TYR A 79 7.845 4.630 2.182 1.00 0.00 C ATOM 1243 CE2 TYR A 79 5.900 5.971 2.488 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.922 5.230 3.006 1.00 0.00 C ATOM 1245 OH TYR A 79 7.030 5.106 4.361 1.00 0.00 O ATOM 0 H TYR A 79 7.608 3.775 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 79 5.000 4.261 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.551 5.803 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.069 6.699 -1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.445 4.309 0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.984 6.711 0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.653 4.048 2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.180 6.437 3.145 1.00 0.00 H new ATOM 0 HH TYR A 79 6.188 5.377 4.782 1.00 0.00 H new ATOM 1255 N CYS A 80 4.102 5.957 -2.949 1.00 0.00 N ATOM 1256 CA CYS A 80 3.516 6.698 -4.002 1.00 0.00 C ATOM 1257 C CYS A 80 3.758 8.157 -3.667 1.00 0.00 C ATOM 1258 O CYS A 80 3.573 8.568 -2.516 1.00 0.00 O ATOM 1259 CB CYS A 80 2.037 6.413 -4.067 1.00 0.00 C ATOM 1260 SG CYS A 80 1.323 6.494 -5.736 1.00 0.00 S ATOM 0 H CYS A 80 3.606 6.011 -2.059 1.00 0.00 H new ATOM 0 HA CYS A 80 3.943 6.436 -4.970 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.853 5.421 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.515 7.125 -3.428 1.00 0.00 H new ATOM 1265 N ASP A 81 4.184 8.921 -4.623 1.00 0.00 N ATOM 1266 CA ASP A 81 4.514 10.312 -4.374 1.00 0.00 C ATOM 1267 C ASP A 81 3.420 11.179 -4.895 1.00 0.00 C ATOM 1268 O ASP A 81 3.405 11.598 -6.057 1.00 0.00 O ATOM 1269 CB ASP A 81 5.880 10.713 -4.946 1.00 0.00 C ATOM 1270 CG ASP A 81 6.242 12.152 -4.632 1.00 0.00 C ATOM 1271 OD1 ASP A 81 6.342 12.509 -3.445 1.00 0.00 O ATOM 1272 OD2 ASP A 81 6.474 12.940 -5.563 1.00 0.00 O ATOM 0 H ASP A 81 4.316 8.617 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 81 4.600 10.451 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.647 10.052 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.874 10.571 -6.027 1.00 0.00 H new ATOM 1277 N ILE A 82 2.476 11.385 -4.051 1.00 0.00 N ATOM 1278 CA ILE A 82 1.296 12.101 -4.373 1.00 0.00 C ATOM 1279 C ILE A 82 1.294 13.390 -3.576 1.00 0.00 C ATOM 1280 O ILE A 82 1.718 13.391 -2.422 1.00 0.00 O ATOM 1281 CB ILE A 82 0.053 11.267 -3.954 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.201 9.819 -4.427 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.230 11.879 -4.520 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.908 8.900 -3.968 1.00 0.00 C ATOM 0 H ILE A 82 2.504 11.050 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 82 1.263 12.301 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.013 11.278 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.240 9.807 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.153 9.427 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.086 11.278 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.346 12.895 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.173 11.901 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.727 7.894 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.935 8.879 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.863 9.264 -4.348 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.236 -4.245 13.333 1.00 0.00 N ATOM 1495 CA ALA B 108 -4.209 -4.893 14.160 1.00 0.00 C ATOM 1496 C ALA B 108 -3.399 -5.896 13.334 1.00 0.00 C ATOM 1497 O ALA B 108 -2.163 -5.959 13.441 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.844 -5.591 15.347 1.00 0.00 C ATOM 0 HA ALA B 108 -3.534 -4.120 14.526 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -4.068 -6.065 15.948 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -5.379 -4.861 15.955 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.542 -6.349 14.992 1.00 0.00 H new ATOM 1504 N GLU B 109 -4.101 -6.673 12.514 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.474 -7.649 11.619 1.00 0.00 C ATOM 1506 C GLU B 109 -2.641 -6.884 10.596 1.00 0.00 C ATOM 1507 O GLU B 109 -1.470 -7.213 10.337 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.558 -8.474 10.903 1.00 0.00 C ATOM 1509 CG GLU B 109 -4.031 -9.590 10.003 1.00 0.00 C ATOM 1510 CD GLU B 109 -3.382 -10.718 10.773 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -2.175 -10.657 11.078 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.070 -11.708 11.091 1.00 0.00 O ATOM 0 H GLU B 109 -5.119 -6.646 12.449 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.841 -8.331 12.186 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -5.214 -8.913 11.654 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.168 -7.800 10.301 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -4.854 -9.989 9.410 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.307 -9.173 9.303 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.251 -5.823 10.067 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.621 -4.912 9.131 1.00 0.00 C ATOM 1521 C LEU B 110 -1.311 -4.383 9.666 1.00 0.00 C ATOM 1522 O LEU B 110 -0.346 -4.317 8.943 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.565 -3.748 8.787 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.648 -4.024 7.740 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -5.607 -2.847 7.639 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.011 -4.274 6.382 1.00 0.00 C ATOM 0 H LEU B 110 -4.216 -5.574 10.286 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.409 -5.474 8.221 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.055 -3.425 9.706 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -2.960 -2.912 8.437 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.204 -4.909 8.049 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.369 -3.062 6.890 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.084 -2.682 8.605 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.056 -1.952 7.349 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -4.790 -4.469 5.645 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -3.439 -3.396 6.081 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.347 -5.136 6.445 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.277 -4.053 10.943 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.073 -3.531 11.571 1.00 0.00 C ATOM 1540 C GLN B 111 1.077 -4.539 11.541 1.00 0.00 C ATOM 1541 O GLN B 111 2.216 -4.170 11.256 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.363 -3.051 12.993 1.00 0.00 C ATOM 1543 CG GLN B 111 0.827 -2.435 13.705 1.00 0.00 C ATOM 1544 CD GLN B 111 0.423 -1.705 14.962 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.373 -2.271 16.054 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.104 -0.451 14.819 1.00 0.00 N ATOM 0 H GLN B 111 -2.075 -4.137 11.572 1.00 0.00 H new ATOM 0 HA GLN B 111 0.251 -2.671 10.986 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.169 -2.318 12.958 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.725 -3.895 13.581 1.00 0.00 H new ATOM 0 HG2 GLN B 111 1.543 -3.217 13.955 1.00 0.00 H new ATOM 0 HG3 GLN B 111 1.333 -1.743 13.032 1.00 0.00 H new ATOM 0 HE21 GLN B 111 0.157 -0.013 13.899 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -0.199 0.094 15.627 1.00 0.00 H new ATOM 1555 N ARG B 112 0.771 -5.804 11.779 1.00 0.00 N ATOM 1556 CA ARG B 112 1.794 -6.849 11.771 1.00 0.00 C ATOM 1557 C ARG B 112 2.277 -7.049 10.355 1.00 0.00 C ATOM 1558 O ARG B 112 3.462 -7.098 10.087 1.00 0.00 O ATOM 1559 CB ARG B 112 1.234 -8.161 12.357 1.00 0.00 C ATOM 1560 CG ARG B 112 2.283 -9.250 12.613 1.00 0.00 C ATOM 1561 CD ARG B 112 2.563 -10.044 11.358 1.00 0.00 C ATOM 1562 NE ARG B 112 3.778 -10.878 11.428 1.00 0.00 N ATOM 1563 CZ ARG B 112 4.429 -11.335 10.339 1.00 0.00 C ATOM 1564 NH1 ARG B 112 3.908 -11.144 9.141 1.00 0.00 N ATOM 1565 NH2 ARG B 112 5.576 -12.004 10.461 1.00 0.00 N ATOM 0 H ARG B 112 -0.172 -6.136 11.980 1.00 0.00 H new ATOM 0 HA ARG B 112 2.634 -6.545 12.396 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.727 -7.936 13.296 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.481 -8.555 11.675 1.00 0.00 H new ATOM 0 HG2 ARG B 112 3.206 -8.793 12.971 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.933 -9.919 13.399 1.00 0.00 H new ATOM 0 HD2 ARG B 112 1.707 -10.686 11.149 1.00 0.00 H new ATOM 0 HD3 ARG B 112 2.657 -9.355 10.519 1.00 0.00 H new ATOM 0 HE ARG B 112 4.145 -11.122 12.348 1.00 0.00 H new ATOM 0 HH11 ARG B 112 3.019 -10.654 9.044 1.00 0.00 H new ATOM 0 HH12 ARG B 112 4.395 -11.487 8.313 1.00 0.00 H new ATOM 0 HH21 ARG B 112 5.971 -12.175 11.386 1.00 0.00 H new ATOM 0 HH22 ARG B 112 6.059 -12.345 9.629 1.00 0.00 H new ATOM 1579 N LEU B 113 1.343 -7.147 9.471 1.00 0.00 N ATOM 1580 CA LEU B 113 1.618 -7.317 8.048 1.00 0.00 C ATOM 1581 C LEU B 113 2.435 -6.125 7.497 1.00 0.00 C ATOM 1582 O LEU B 113 3.348 -6.288 6.678 1.00 0.00 O ATOM 1583 CB LEU B 113 0.288 -7.434 7.298 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.577 -8.662 7.582 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.936 -8.516 6.918 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.105 -9.899 7.056 1.00 0.00 C ATOM 0 H LEU B 113 0.349 -7.113 9.698 1.00 0.00 H new ATOM 0 HA LEU B 113 2.208 -8.222 7.904 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.304 -6.547 7.522 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.502 -7.413 6.229 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.715 -8.749 8.660 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.541 -9.398 7.129 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.438 -7.630 7.307 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.806 -8.415 5.841 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.515 -10.771 7.261 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.253 -9.803 5.980 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.071 -10.018 7.546 1.00 0.00 H new ATOM 1598 N LYS B 114 2.102 -4.957 7.953 1.00 0.00 N ATOM 1599 CA LYS B 114 2.763 -3.741 7.560 1.00 0.00 C ATOM 1600 C LYS B 114 4.167 -3.710 8.083 1.00 0.00 C ATOM 1601 O LYS B 114 5.098 -3.415 7.342 1.00 0.00 O ATOM 1602 CB LYS B 114 1.999 -2.584 8.121 1.00 0.00 C ATOM 1603 CG LYS B 114 2.472 -1.210 7.707 1.00 0.00 C ATOM 1604 CD LYS B 114 1.647 -0.156 8.382 1.00 0.00 C ATOM 1605 CE LYS B 114 2.048 0.053 9.832 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.132 0.977 10.516 1.00 0.00 N ATOM 0 H LYS B 114 1.347 -4.814 8.624 1.00 0.00 H new ATOM 0 HA LYS B 114 2.799 -3.685 6.472 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.954 -2.689 7.829 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.034 -2.645 9.209 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.522 -1.084 7.970 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.399 -1.102 6.625 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.750 0.784 7.840 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.595 -0.437 8.336 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.054 -0.906 10.351 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.064 0.446 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.305 0.943 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.292 1.945 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.149 0.699 10.322 1.00 0.00 H new ATOM 1620 N ASN B 115 4.316 -4.037 9.349 1.00 0.00 N ATOM 1621 CA ASN B 115 5.608 -4.008 10.028 1.00 0.00 C ATOM 1622 C ASN B 115 6.534 -5.019 9.398 1.00 0.00 C ATOM 1623 O ASN B 115 7.742 -4.814 9.327 1.00 0.00 O ATOM 1624 CB ASN B 115 5.411 -4.199 11.561 1.00 0.00 C ATOM 1625 CG ASN B 115 5.305 -5.629 12.136 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.960 -6.573 11.715 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.444 -5.782 13.108 1.00 0.00 N ATOM 0 H ASN B 115 3.544 -4.333 9.946 1.00 0.00 H new ATOM 0 HA ASN B 115 6.084 -3.035 9.906 1.00 0.00 H new ATOM 0 HB2 ASN B 115 6.243 -3.705 12.063 1.00 0.00 H new ATOM 0 HB3 ASN B 115 4.505 -3.664 11.844 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.309 -6.701 13.530 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.908 -4.982 13.445 1.00 0.00 H new ATOM 1634 N GLU B 116 5.926 -6.072 8.881 1.00 0.00 N ATOM 1635 CA GLU B 116 6.606 -7.103 8.123 1.00 0.00 C ATOM 1636 C GLU B 116 7.245 -6.461 6.918 1.00 0.00 C ATOM 1637 O GLU B 116 8.443 -6.457 6.771 1.00 0.00 O ATOM 1638 CB GLU B 116 5.596 -8.153 7.654 1.00 0.00 C ATOM 1639 CG GLU B 116 6.192 -9.209 6.751 1.00 0.00 C ATOM 1640 CD GLU B 116 5.188 -10.222 6.305 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.404 -9.932 5.393 1.00 0.00 O ATOM 1642 OE2 GLU B 116 5.163 -11.329 6.862 1.00 0.00 O ATOM 0 H GLU B 116 4.924 -6.236 8.980 1.00 0.00 H new ATOM 0 HA GLU B 116 7.360 -7.585 8.746 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.158 -8.638 8.526 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.784 -7.653 7.127 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.629 -8.728 5.876 1.00 0.00 H new ATOM 0 HG3 GLU B 116 7.003 -9.714 7.276 1.00 0.00 H new ATOM 1649 N ARG B 117 6.418 -5.890 6.079 1.00 0.00 N ATOM 1650 CA ARG B 117 6.856 -5.153 4.918 1.00 0.00 C ATOM 1651 C ARG B 117 7.770 -4.006 5.225 1.00 0.00 C ATOM 1652 O ARG B 117 8.507 -3.581 4.366 1.00 0.00 O ATOM 1653 CB ARG B 117 5.696 -4.686 4.114 1.00 0.00 C ATOM 1654 CG ARG B 117 5.147 -5.778 3.299 1.00 0.00 C ATOM 1655 CD ARG B 117 3.871 -5.386 2.610 1.00 0.00 C ATOM 1656 NE ARG B 117 2.752 -5.715 3.459 1.00 0.00 N ATOM 1657 CZ ARG B 117 2.326 -6.985 3.616 1.00 0.00 C ATOM 1658 NH1 ARG B 117 2.861 -7.981 2.913 1.00 0.00 N ATOM 1659 NH2 ARG B 117 1.381 -7.245 4.439 1.00 0.00 N ATOM 0 H ARG B 117 5.404 -5.924 6.184 1.00 0.00 H new ATOM 0 HA ARG B 117 7.445 -5.861 4.335 1.00 0.00 H new ATOM 0 HB2 ARG B 117 4.923 -4.298 4.777 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.004 -3.864 3.468 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.883 -6.078 2.553 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.964 -6.646 3.933 1.00 0.00 H new ATOM 0 HD2 ARG B 117 3.875 -4.318 2.391 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.784 -5.906 1.656 1.00 0.00 H new ATOM 0 HE ARG B 117 2.269 -4.966 3.955 1.00 0.00 H new ATOM 0 HH11 ARG B 117 3.606 -7.790 2.243 1.00 0.00 H new ATOM 0 HH12 ARG B 117 2.526 -8.935 3.045 1.00 0.00 H new ATOM 0 HH21 ARG B 117 0.951 -6.492 4.976 1.00 0.00 H new ATOM 0 HH22 ARG B 117 1.058 -8.205 4.558 1.00 0.00 H new ATOM 1673 N HIS B 118 7.709 -3.494 6.410 1.00 0.00 N ATOM 1674 CA HIS B 118 8.588 -2.443 6.809 1.00 0.00 C ATOM 1675 C HIS B 118 9.958 -2.996 7.113 1.00 0.00 C ATOM 1676 O HIS B 118 10.958 -2.423 6.701 1.00 0.00 O ATOM 1677 CB HIS B 118 7.962 -1.586 7.910 1.00 0.00 C ATOM 1678 CG HIS B 118 6.986 -0.585 7.344 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.815 -0.950 6.719 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.055 0.755 7.210 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.231 0.114 6.223 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.962 1.140 6.508 1.00 0.00 N ATOM 0 H HIS B 118 7.049 -3.792 7.129 1.00 0.00 H new ATOM 0 HA HIS B 118 8.738 -1.746 5.985 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.451 -2.229 8.627 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.747 -1.062 8.455 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.456 -1.903 6.652 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.834 1.399 7.590 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.302 0.130 5.673 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.747 2.101 6.243 1.00 0.00 H new ATOM 1691 N GLU B 119 9.992 -4.154 7.756 1.00 0.00 N ATOM 1692 CA GLU B 119 11.211 -4.890 7.935 1.00 0.00 C ATOM 1693 C GLU B 119 11.758 -5.313 6.580 1.00 0.00 C ATOM 1694 O GLU B 119 12.921 -5.104 6.285 1.00 0.00 O ATOM 1695 CB GLU B 119 10.968 -6.114 8.806 1.00 0.00 C ATOM 1696 CG GLU B 119 11.565 -5.987 10.181 1.00 0.00 C ATOM 1697 CD GLU B 119 10.994 -4.850 11.002 1.00 0.00 C ATOM 1698 OE1 GLU B 119 11.453 -3.708 10.863 1.00 0.00 O ATOM 1699 OE2 GLU B 119 10.100 -5.086 11.831 1.00 0.00 O ATOM 0 H GLU B 119 9.170 -4.600 8.164 1.00 0.00 H new ATOM 0 HA GLU B 119 11.940 -4.251 8.432 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.895 -6.281 8.896 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.387 -6.992 8.314 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.411 -6.922 10.720 1.00 0.00 H new ATOM 0 HG3 GLU B 119 12.642 -5.847 10.086 1.00 0.00 H new ATOM 1706 N GLU B 120 10.881 -5.861 5.749 1.00 0.00 N ATOM 1707 CA GLU B 120 11.228 -6.305 4.398 1.00 0.00 C ATOM 1708 C GLU B 120 11.771 -5.162 3.556 1.00 0.00 C ATOM 1709 O GLU B 120 12.705 -5.343 2.824 1.00 0.00 O ATOM 1710 CB GLU B 120 10.022 -6.921 3.688 1.00 0.00 C ATOM 1711 CG GLU B 120 9.432 -8.155 4.372 1.00 0.00 C ATOM 1712 CD GLU B 120 10.385 -9.327 4.452 1.00 0.00 C ATOM 1713 OE1 GLU B 120 11.247 -9.352 5.336 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.253 -10.274 3.641 1.00 0.00 O ATOM 0 H GLU B 120 9.902 -6.012 5.991 1.00 0.00 H new ATOM 0 HA GLU B 120 12.004 -7.062 4.509 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.243 -6.163 3.603 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.315 -7.191 2.674 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.119 -7.884 5.380 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.537 -8.464 3.833 1.00 0.00 H new ATOM 1721 N ALA B 121 11.166 -3.998 3.673 1.00 0.00 N ATOM 1722 CA ALA B 121 11.608 -2.804 2.943 1.00 0.00 C ATOM 1723 C ALA B 121 12.995 -2.374 3.381 1.00 0.00 C ATOM 1724 O ALA B 121 13.819 -1.958 2.565 1.00 0.00 O ATOM 1725 CB ALA B 121 10.635 -1.655 3.123 1.00 0.00 C ATOM 0 H ALA B 121 10.355 -3.842 4.272 1.00 0.00 H new ATOM 0 HA ALA B 121 11.641 -3.070 1.886 1.00 0.00 H new ATOM 0 HB1 ALA B 121 10.992 -0.786 2.570 1.00 0.00 H new ATOM 0 HB2 ALA B 121 9.654 -1.947 2.748 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.559 -1.405 4.181 1.00 0.00 H new