USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 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 61 SER OG : rot 170:sc= -3.71! USER MOD Set 1.2: A 64 ASN : amide:sc= -0.169 X(o=-3.9,f=-3.9) USER MOD Single : A 12 SER OG : rot -64:sc= 0.51 USER MOD Single : A 13 ASN : amide:sc= -1.38 K(o=-1.4,f=-3!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= -1.93 (180deg=-2.5) USER MOD Single : A 17 TYR OH : rot -140:sc= -0.678 USER MOD Single : A 19 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.22) USER MOD Single : A 27 SER OG : rot 48:sc= 0.253 USER MOD Single : A 29 ASN : amide:sc= -0.95 K(o=-0.95,f=-1.7) USER MOD Single : A 33 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 41 ASN : amide:sc= -4.16! C(o=-4.2!,f=-3.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 45:sc= 1.1 USER MOD Single : A 54 LYS NZ :NH3+ 151:sc=-0.00825 (180deg=-0.481) USER MOD Single : A 56 ASN : amide:sc= 0.775 K(o=0.77,f=-0.14) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 67 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-1.37e-05 USER MOD Single : A 72 THR OG1 : rot -74:sc= 0.478 USER MOD Single : A 74 THR OG1 : rot -20:sc= 0.0698 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 26:sc= 0.445 USER MOD Single : A 80 CYS SG : rot -25:sc= 0.00189 USER MOD Single : A 81 GLN : amide:sc= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 82 SER OG : rot 20:sc= 0.468! USER MOD Single : A 83 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.64) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0964 F(o=-0.76,f=-0.096) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -8.084 -9.507 -2.527 1.00 0.00 N ATOM 155 CA LEU A 11 -7.535 -8.783 -1.382 1.00 0.00 C ATOM 156 C LEU A 11 -7.971 -9.444 -0.069 1.00 0.00 C ATOM 157 O LEU A 11 -7.653 -10.610 0.171 1.00 0.00 O ATOM 158 CB LEU A 11 -7.975 -7.314 -1.417 1.00 0.00 C ATOM 159 CG LEU A 11 -7.389 -6.463 -2.539 1.00 0.00 C ATOM 160 CD1 LEU A 11 -5.885 -6.668 -2.655 1.00 0.00 C ATOM 161 CD2 LEU A 11 -8.078 -6.765 -3.863 1.00 0.00 C ATOM 0 HA LEU A 11 -6.447 -8.819 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.062 -7.283 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.711 -6.854 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.567 -5.416 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.495 -6.049 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.406 -6.386 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.676 -7.716 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.644 -6.147 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.941 -7.817 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.143 -6.548 -3.777 1.00 0.00 H new ATOM 173 N SER A 12 -8.707 -8.701 0.774 1.00 0.00 N ATOM 174 CA SER A 12 -9.191 -9.213 2.051 1.00 0.00 C ATOM 175 C SER A 12 -8.117 -10.023 2.783 1.00 0.00 C ATOM 176 O SER A 12 -8.214 -11.248 2.905 1.00 0.00 O ATOM 177 CB SER A 12 -10.448 -10.057 1.831 1.00 0.00 C ATOM 178 OG SER A 12 -10.849 -10.708 3.023 1.00 0.00 O ATOM 0 H SER A 12 -8.978 -7.736 0.584 1.00 0.00 H new ATOM 0 HA SER A 12 -9.438 -8.361 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.257 -9.421 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.259 -10.799 1.055 1.00 0.00 H new ATOM 0 HG SER A 12 -10.157 -11.347 3.296 1.00 0.00 H new ATOM 184 N ASN A 13 -7.089 -9.328 3.269 1.00 0.00 N ATOM 185 CA ASN A 13 -5.994 -9.969 3.993 1.00 0.00 C ATOM 186 C ASN A 13 -5.396 -9.014 5.032 1.00 0.00 C ATOM 187 O ASN A 13 -5.688 -9.128 6.222 1.00 0.00 O ATOM 188 CB ASN A 13 -4.918 -10.450 3.012 1.00 0.00 C ATOM 189 CG ASN A 13 -3.788 -11.188 3.706 1.00 0.00 C ATOM 190 OD1 ASN A 13 -2.804 -10.581 4.132 1.00 0.00 O ATOM 191 ND2 ASN A 13 -3.919 -12.505 3.819 1.00 0.00 N ATOM 0 H ASN A 13 -6.993 -8.317 3.173 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.390 -10.835 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.374 -11.105 2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.512 -9.593 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.188 -13.053 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.750 -12.968 3.452 1.00 0.00 H new ATOM 198 N MET A 14 -4.564 -8.072 4.577 1.00 0.00 N ATOM 199 CA MET A 14 -3.936 -7.103 5.474 1.00 0.00 C ATOM 200 C MET A 14 -3.272 -5.976 4.678 1.00 0.00 C ATOM 201 O MET A 14 -2.516 -6.230 3.741 1.00 0.00 O ATOM 202 CB MET A 14 -2.900 -7.797 6.366 1.00 0.00 C ATOM 203 CG MET A 14 -3.360 -7.983 7.805 1.00 0.00 C ATOM 204 SD MET A 14 -3.368 -9.710 8.320 1.00 0.00 S ATOM 205 CE MET A 14 -4.791 -9.728 9.409 1.00 0.00 C ATOM 0 H MET A 14 -4.312 -7.962 3.595 1.00 0.00 H new ATOM 0 HA MET A 14 -4.713 -6.670 6.104 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.662 -8.772 5.941 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.979 -7.214 6.360 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.706 -7.415 8.467 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.363 -7.571 7.917 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.929 -10.732 9.810 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.630 -9.028 10.229 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.680 -9.435 8.851 1.00 0.00 H new ATOM 215 N LYS A 15 -3.564 -4.732 5.057 1.00 0.00 N ATOM 216 CA LYS A 15 -2.998 -3.567 4.382 1.00 0.00 C ATOM 217 C LYS A 15 -2.763 -2.423 5.370 1.00 0.00 C ATOM 218 O LYS A 15 -3.461 -2.307 6.377 1.00 0.00 O ATOM 219 CB LYS A 15 -3.920 -3.110 3.248 1.00 0.00 C ATOM 220 CG LYS A 15 -3.171 -2.602 2.027 1.00 0.00 C ATOM 221 CD LYS A 15 -4.079 -2.498 0.814 1.00 0.00 C ATOM 222 CE LYS A 15 -4.225 -3.837 0.109 1.00 0.00 C ATOM 223 NZ LYS A 15 -4.032 -3.715 -1.363 1.00 0.00 N ATOM 0 H LYS A 15 -4.191 -4.506 5.830 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.035 -3.853 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.559 -3.942 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.574 -2.321 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.741 -1.624 2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.341 -3.273 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.061 -2.140 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.676 -1.762 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.498 -4.541 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.214 -4.248 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.304 -4.607 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.624 -2.942 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.033 -3.511 -1.566 1.00 0.00 H new ATOM 237 N PHE A 16 -1.768 -1.590 5.082 1.00 0.00 N ATOM 238 CA PHE A 16 -1.433 -0.460 5.950 1.00 0.00 C ATOM 239 C PHE A 16 -0.671 0.605 5.160 1.00 0.00 C ATOM 240 O PHE A 16 0.251 0.279 4.415 1.00 0.00 O ATOM 241 CB PHE A 16 -0.611 -0.964 7.141 1.00 0.00 C ATOM 242 CG PHE A 16 -0.235 0.092 8.144 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.189 0.960 8.659 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.072 0.205 8.585 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.838 1.919 9.590 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.427 1.160 9.517 1.00 0.00 C ATOM 247 CZ PHE A 16 0.470 2.018 10.020 1.00 0.00 C ATOM 0 H PHE A 16 -1.178 -1.674 4.254 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.347 -0.001 6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.178 -1.743 7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.301 -1.427 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.215 0.885 8.329 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.825 -0.463 8.195 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.587 2.591 9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.451 1.235 9.852 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.744 2.766 10.749 1.00 0.00 H new ATOM 257 N TYR A 17 -1.071 1.870 5.301 1.00 0.00 N ATOM 258 CA TYR A 17 -0.429 2.962 4.565 1.00 0.00 C ATOM 259 C TYR A 17 0.144 4.031 5.504 1.00 0.00 C ATOM 260 O TYR A 17 -0.584 4.886 6.008 1.00 0.00 O ATOM 261 CB TYR A 17 -1.434 3.591 3.593 1.00 0.00 C ATOM 262 CG TYR A 17 -1.379 3.015 2.193 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.380 1.641 1.987 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.320 3.845 1.081 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.325 1.110 0.715 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.264 3.321 -0.196 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.267 1.954 -0.374 1.00 0.00 C ATOM 268 OH TYR A 17 -1.207 1.431 -1.644 1.00 0.00 O ATOM 0 H TYR A 17 -1.832 2.163 5.914 1.00 0.00 H new ATOM 0 HA TYR A 17 0.408 2.542 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.440 3.458 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.251 4.664 3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.425 0.977 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.318 4.916 1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.327 0.039 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.218 3.979 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.581 1.956 -2.185 1.00 0.00 H new ATOM 278 N LEU A 18 1.461 3.980 5.721 1.00 0.00 N ATOM 279 CA LEU A 18 2.146 4.944 6.584 1.00 0.00 C ATOM 280 C LEU A 18 3.587 5.160 6.110 1.00 0.00 C ATOM 281 O LEU A 18 4.537 4.824 6.814 1.00 0.00 O ATOM 282 CB LEU A 18 2.131 4.459 8.041 1.00 0.00 C ATOM 283 CG LEU A 18 1.398 5.368 9.034 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.107 5.170 8.936 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.879 5.097 10.454 1.00 0.00 C ATOM 0 H LEU A 18 2.076 3.278 5.309 1.00 0.00 H new ATOM 0 HA LEU A 18 1.618 5.896 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.670 3.472 8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.161 4.341 8.376 1.00 0.00 H new ATOM 0 HG LEU A 18 1.623 6.404 8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.607 5.825 9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.441 5.411 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.353 4.132 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.350 5.750 11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.682 4.057 10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.950 5.291 10.519 1.00 0.00 H new ATOM 297 N ASN A 19 3.744 5.711 4.902 1.00 0.00 N ATOM 298 CA ASN A 19 5.074 5.957 4.329 1.00 0.00 C ATOM 299 C ASN A 19 5.999 6.664 5.325 1.00 0.00 C ATOM 300 O ASN A 19 5.547 7.474 6.136 1.00 0.00 O ATOM 301 CB ASN A 19 4.965 6.791 3.044 1.00 0.00 C ATOM 302 CG ASN A 19 3.987 6.212 2.035 1.00 0.00 C ATOM 303 OD1 ASN A 19 3.009 6.859 1.662 1.00 0.00 O ATOM 304 ND2 ASN A 19 4.245 4.987 1.587 1.00 0.00 N ATOM 0 H ASN A 19 2.969 5.995 4.302 1.00 0.00 H new ATOM 0 HA ASN A 19 5.507 4.985 4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.655 7.804 3.301 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.950 6.867 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.621 4.550 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.067 4.484 1.922 1.00 0.00 H new ATOM 311 N ARG A 20 7.297 6.348 5.255 1.00 0.00 N ATOM 312 CA ARG A 20 8.285 6.955 6.151 1.00 0.00 C ATOM 313 C ARG A 20 8.557 8.409 5.756 1.00 0.00 C ATOM 314 O ARG A 20 8.054 9.335 6.392 1.00 0.00 O ATOM 315 CB ARG A 20 9.596 6.158 6.139 1.00 0.00 C ATOM 316 CG ARG A 20 9.633 5.026 7.153 1.00 0.00 C ATOM 317 CD ARG A 20 11.045 4.777 7.663 1.00 0.00 C ATOM 318 NE ARG A 20 11.798 3.879 6.786 1.00 0.00 N ATOM 319 CZ ARG A 20 11.667 2.551 6.782 1.00 0.00 C ATOM 320 NH1 ARG A 20 10.794 1.954 7.592 1.00 0.00 N ATOM 321 NH2 ARG A 20 12.409 1.816 5.961 1.00 0.00 N ATOM 0 H ARG A 20 7.685 5.679 4.590 1.00 0.00 H new ATOM 0 HA ARG A 20 7.873 6.937 7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.751 5.746 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.425 6.837 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.980 5.267 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.244 4.115 6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.572 5.727 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.998 4.349 8.664 1.00 0.00 H new ATOM 0 HE ARG A 20 12.465 4.295 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.219 2.513 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.701 0.938 7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.077 2.267 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.311 0.801 5.956 1.00 0.00 H new ATOM 397 N ASP A 26 4.810 7.263 -5.956 1.00 0.00 N ATOM 398 CA ASP A 26 3.684 7.107 -6.872 1.00 0.00 C ATOM 399 C ASP A 26 2.569 8.097 -6.536 1.00 0.00 C ATOM 400 O ASP A 26 2.105 8.837 -7.406 1.00 0.00 O ATOM 401 CB ASP A 26 3.157 5.668 -6.824 1.00 0.00 C ATOM 402 CG ASP A 26 2.119 5.392 -7.895 1.00 0.00 C ATOM 403 OD1 ASP A 26 2.423 5.604 -9.088 1.00 0.00 O ATOM 404 OD2 ASP A 26 1.001 4.960 -7.541 1.00 0.00 O ATOM 0 HA ASP A 26 4.031 7.319 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.990 4.975 -6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.722 5.477 -5.843 1.00 0.00 H new ATOM 409 N SER A 27 2.148 8.108 -5.271 1.00 0.00 N ATOM 410 CA SER A 27 1.090 9.011 -4.817 1.00 0.00 C ATOM 411 C SER A 27 1.001 9.036 -3.292 1.00 0.00 C ATOM 412 O SER A 27 1.377 8.070 -2.624 1.00 0.00 O ATOM 413 CB SER A 27 -0.259 8.592 -5.408 1.00 0.00 C ATOM 414 OG SER A 27 -0.594 9.383 -6.533 1.00 0.00 O ATOM 0 H SER A 27 2.524 7.501 -4.542 1.00 0.00 H new ATOM 0 HA SER A 27 1.338 10.014 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.222 7.542 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.036 8.686 -4.650 1.00 0.00 H new ATOM 0 HG SER A 27 0.176 9.437 -7.136 1.00 0.00 H new ATOM 420 N LEU A 28 0.492 10.143 -2.746 1.00 0.00 N ATOM 421 CA LEU A 28 0.342 10.292 -1.298 1.00 0.00 C ATOM 422 C LEU A 28 -1.123 10.504 -0.923 1.00 0.00 C ATOM 423 O LEU A 28 -1.680 9.753 -0.124 1.00 0.00 O ATOM 424 CB LEU A 28 1.194 11.458 -0.782 1.00 0.00 C ATOM 425 CG LEU A 28 2.682 11.149 -0.594 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.418 12.371 -0.071 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.870 9.968 0.351 1.00 0.00 C ATOM 0 H LEU A 28 0.177 10.949 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 28 0.690 9.372 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.098 12.292 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.786 11.790 0.172 1.00 0.00 H new ATOM 0 HG LEU A 28 3.102 10.882 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.474 12.133 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.314 13.190 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.995 12.668 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.934 9.764 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.434 10.205 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.377 9.089 -0.063 1.00 0.00 H new ATOM 439 N ASN A 29 -1.745 11.528 -1.508 1.00 0.00 N ATOM 440 CA ASN A 29 -3.151 11.826 -1.244 1.00 0.00 C ATOM 441 C ASN A 29 -4.060 11.078 -2.221 1.00 0.00 C ATOM 442 O ASN A 29 -5.172 10.682 -1.869 1.00 0.00 O ATOM 443 CB ASN A 29 -3.412 13.332 -1.337 1.00 0.00 C ATOM 444 CG ASN A 29 -2.684 14.113 -0.260 1.00 0.00 C ATOM 445 OD1 ASN A 29 -1.611 14.667 -0.498 1.00 0.00 O ATOM 446 ND2 ASN A 29 -3.264 14.160 0.935 1.00 0.00 N ATOM 0 H ASN A 29 -1.297 12.164 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.378 11.492 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.099 13.692 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.483 13.518 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.819 14.670 1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.154 13.686 1.089 1.00 0.00 H new ATOM 453 N ASP A 30 -3.579 10.898 -3.454 1.00 0.00 N ATOM 454 CA ASP A 30 -4.344 10.208 -4.493 1.00 0.00 C ATOM 455 C ASP A 30 -4.586 8.739 -4.143 1.00 0.00 C ATOM 456 O ASP A 30 -5.645 8.192 -4.452 1.00 0.00 O ATOM 457 CB ASP A 30 -3.622 10.307 -5.838 1.00 0.00 C ATOM 458 CG ASP A 30 -4.583 10.348 -7.011 1.00 0.00 C ATOM 459 OD1 ASP A 30 -5.406 11.285 -7.073 1.00 0.00 O ATOM 460 OD2 ASP A 30 -4.509 9.443 -7.868 1.00 0.00 O ATOM 0 H ASP A 30 -2.660 11.222 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.314 10.700 -4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.002 11.203 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.952 9.455 -5.951 1.00 0.00 H new ATOM 465 N ILE A 31 -3.601 8.103 -3.502 1.00 0.00 N ATOM 466 CA ILE A 31 -3.725 6.695 -3.116 1.00 0.00 C ATOM 467 C ILE A 31 -4.977 6.455 -2.279 1.00 0.00 C ATOM 468 O ILE A 31 -5.579 5.391 -2.355 1.00 0.00 O ATOM 469 CB ILE A 31 -2.500 6.186 -2.328 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.183 7.126 -1.161 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.304 6.037 -3.253 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.878 6.808 -0.460 1.00 0.00 C ATOM 0 H ILE A 31 -2.716 8.537 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.793 6.139 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.732 5.205 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.146 8.151 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.996 7.078 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.447 5.677 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.541 5.324 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.065 7.003 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.721 7.515 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.918 5.795 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.055 6.885 -1.171 1.00 0.00 H new ATOM 484 N ASP A 32 -5.370 7.456 -1.489 1.00 0.00 N ATOM 485 CA ASP A 32 -6.563 7.348 -0.651 1.00 0.00 C ATOM 486 C ASP A 32 -7.791 7.031 -1.499 1.00 0.00 C ATOM 487 O ASP A 32 -8.711 6.348 -1.049 1.00 0.00 O ATOM 488 CB ASP A 32 -6.793 8.651 0.116 1.00 0.00 C ATOM 489 CG ASP A 32 -7.819 8.494 1.219 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.029 8.514 0.910 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.414 8.347 2.389 1.00 0.00 O ATOM 0 H ASP A 32 -4.880 8.348 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.406 6.536 0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.850 8.989 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.123 9.425 -0.577 1.00 0.00 H new ATOM 496 N GLN A 33 -7.797 7.547 -2.727 1.00 0.00 N ATOM 497 CA GLN A 33 -8.906 7.338 -3.647 1.00 0.00 C ATOM 498 C GLN A 33 -8.782 6.001 -4.379 1.00 0.00 C ATOM 499 O GLN A 33 -9.750 5.243 -4.456 1.00 0.00 O ATOM 500 CB GLN A 33 -8.976 8.496 -4.648 1.00 0.00 C ATOM 501 CG GLN A 33 -10.205 8.466 -5.544 1.00 0.00 C ATOM 502 CD GLN A 33 -11.505 8.491 -4.760 1.00 0.00 C ATOM 503 OE1 GLN A 33 -11.891 9.521 -4.206 1.00 0.00 O ATOM 504 NE2 GLN A 33 -12.190 7.353 -4.709 1.00 0.00 N ATOM 0 H GLN A 33 -7.040 8.116 -3.106 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.829 7.309 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.962 9.438 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.083 8.477 -5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.177 9.321 -6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.176 7.569 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.835 6.522 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.071 7.311 -4.197 1.00 0.00 H new ATOM 513 N LEU A 34 -7.593 5.712 -4.906 1.00 0.00 N ATOM 514 CA LEU A 34 -7.364 4.457 -5.622 1.00 0.00 C ATOM 515 C LEU A 34 -7.353 3.263 -4.663 1.00 0.00 C ATOM 516 O LEU A 34 -7.594 2.126 -5.073 1.00 0.00 O ATOM 517 CB LEU A 34 -6.056 4.524 -6.417 1.00 0.00 C ATOM 518 CG LEU A 34 -4.770 4.371 -5.598 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.378 2.907 -5.475 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.643 5.170 -6.235 1.00 0.00 C ATOM 0 H LEU A 34 -6.779 6.324 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.189 4.314 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.075 3.744 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.020 5.479 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.953 4.759 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.462 2.823 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.177 2.357 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.213 2.490 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.735 5.053 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.466 4.806 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.919 6.224 -6.271 1.00 0.00 H new ATOM 532 N ALA A 35 -7.084 3.532 -3.385 1.00 0.00 N ATOM 533 CA ALA A 35 -7.056 2.484 -2.367 1.00 0.00 C ATOM 534 C ALA A 35 -8.441 2.271 -1.752 1.00 0.00 C ATOM 535 O ALA A 35 -8.706 1.223 -1.161 1.00 0.00 O ATOM 536 CB ALA A 35 -6.039 2.814 -1.285 1.00 0.00 C ATOM 0 H ALA A 35 -6.883 4.467 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.757 1.555 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.034 2.021 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.048 2.899 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.306 3.759 -0.811 1.00 0.00 H new ATOM 542 N ARG A 36 -9.326 3.261 -1.906 1.00 0.00 N ATOM 543 CA ARG A 36 -10.686 3.162 -1.379 1.00 0.00 C ATOM 544 C ARG A 36 -11.393 1.928 -1.943 1.00 0.00 C ATOM 545 O ARG A 36 -12.250 1.338 -1.285 1.00 0.00 O ATOM 546 CB ARG A 36 -11.487 4.425 -1.715 1.00 0.00 C ATOM 547 CG ARG A 36 -11.864 5.248 -0.494 1.00 0.00 C ATOM 548 CD ARG A 36 -12.555 6.544 -0.886 1.00 0.00 C ATOM 549 NE ARG A 36 -14.000 6.483 -0.663 1.00 0.00 N ATOM 550 CZ ARG A 36 -14.580 6.635 0.530 1.00 0.00 C ATOM 551 NH1 ARG A 36 -13.844 6.848 1.619 1.00 0.00 N ATOM 552 NH2 ARG A 36 -15.903 6.572 0.635 1.00 0.00 N ATOM 0 H ARG A 36 -9.124 4.136 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.624 3.065 -0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.903 5.045 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.396 4.139 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.522 4.664 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.968 5.473 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.134 7.368 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.359 6.756 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.602 6.314 -1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.828 6.896 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.296 6.963 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.473 6.408 -0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.348 6.688 1.545 1.00 0.00 H new ATOM 566 N LEU A 37 -11.016 1.539 -3.163 1.00 0.00 N ATOM 567 CA LEU A 37 -11.597 0.370 -3.817 1.00 0.00 C ATOM 568 C LEU A 37 -11.021 -0.919 -3.232 1.00 0.00 C ATOM 569 O LEU A 37 -11.759 -1.856 -2.923 1.00 0.00 O ATOM 570 CB LEU A 37 -11.339 0.428 -5.323 1.00 0.00 C ATOM 571 CG LEU A 37 -12.497 0.974 -6.162 1.00 0.00 C ATOM 572 CD1 LEU A 37 -12.644 2.475 -5.957 1.00 0.00 C ATOM 573 CD2 LEU A 37 -12.285 0.649 -7.637 1.00 0.00 C ATOM 0 H LEU A 37 -10.308 2.020 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.673 0.376 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.459 1.046 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.099 -0.576 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.419 0.494 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.472 2.845 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.842 2.681 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.723 2.975 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.117 1.044 -8.220 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.355 1.102 -7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.232 -0.432 -7.767 1.00 0.00 H new ATOM 585 N ILE A 38 -9.697 -0.956 -3.078 1.00 0.00 N ATOM 586 CA ILE A 38 -9.016 -2.123 -2.524 1.00 0.00 C ATOM 587 C ILE A 38 -9.428 -2.354 -1.071 1.00 0.00 C ATOM 588 O ILE A 38 -9.535 -3.496 -0.619 1.00 0.00 O ATOM 589 CB ILE A 38 -7.476 -1.973 -2.635 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.858 -3.264 -3.176 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.847 -1.592 -1.298 1.00 0.00 C ATOM 592 CD1 ILE A 38 -5.867 -3.036 -4.297 1.00 0.00 C ATOM 0 H ILE A 38 -9.075 -0.188 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.316 -2.993 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.269 -1.162 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.358 -3.787 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.655 -3.917 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.768 -1.497 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.260 -0.642 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.063 -2.365 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.469 -3.994 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.367 -2.540 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.050 -2.409 -3.939 1.00 0.00 H new ATOM 604 N ARG A 39 -9.683 -1.259 -0.354 1.00 0.00 N ATOM 605 CA ARG A 39 -10.112 -1.327 1.036 1.00 0.00 C ATOM 606 C ARG A 39 -11.546 -1.840 1.107 1.00 0.00 C ATOM 607 O ARG A 39 -11.946 -2.471 2.085 1.00 0.00 O ATOM 608 CB ARG A 39 -10.013 0.054 1.689 1.00 0.00 C ATOM 609 CG ARG A 39 -10.411 0.070 3.157 1.00 0.00 C ATOM 610 CD ARG A 39 -10.221 1.449 3.774 1.00 0.00 C ATOM 611 NE ARG A 39 -11.453 1.952 4.380 1.00 0.00 N ATOM 612 CZ ARG A 39 -12.448 2.527 3.696 1.00 0.00 C ATOM 613 NH1 ARG A 39 -12.360 2.680 2.376 1.00 0.00 N ATOM 614 NH2 ARG A 39 -13.532 2.949 4.335 1.00 0.00 N ATOM 0 H ARG A 39 -9.598 -0.310 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.460 -2.014 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.989 0.417 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.649 0.750 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.453 -0.233 3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.814 -0.660 3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.437 1.403 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.883 2.146 3.007 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.560 1.858 5.390 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.529 2.358 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.123 3.120 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.605 2.835 5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.292 3.388 3.815 1.00 0.00 H new ATOM 628 N ALA A 40 -12.313 -1.570 0.046 1.00 0.00 N ATOM 629 CA ALA A 40 -13.699 -2.008 -0.036 1.00 0.00 C ATOM 630 C ALA A 40 -13.793 -3.453 -0.535 1.00 0.00 C ATOM 631 O ALA A 40 -14.844 -4.086 -0.430 1.00 0.00 O ATOM 632 CB ALA A 40 -14.494 -1.082 -0.944 1.00 0.00 C ATOM 0 H ALA A 40 -11.990 -1.048 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.125 -1.969 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.528 -1.422 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.465 -0.068 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.059 -1.091 -1.943 1.00 0.00 H new ATOM 638 N ASN A 41 -12.685 -3.966 -1.080 1.00 0.00 N ATOM 639 CA ASN A 41 -12.629 -5.331 -1.597 1.00 0.00 C ATOM 640 C ASN A 41 -12.817 -6.360 -0.480 1.00 0.00 C ATOM 641 O ASN A 41 -13.311 -7.463 -0.717 1.00 0.00 O ATOM 642 CB ASN A 41 -11.284 -5.568 -2.289 1.00 0.00 C ATOM 643 CG ASN A 41 -11.329 -6.727 -3.267 1.00 0.00 C ATOM 644 OD1 ASN A 41 -11.550 -7.873 -2.876 1.00 0.00 O ATOM 645 ND2 ASN A 41 -11.117 -6.437 -4.547 1.00 0.00 N ATOM 0 H ASN A 41 -11.811 -3.449 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.442 -5.453 -2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.987 -4.662 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.521 -5.762 -1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.134 -7.178 -5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.937 -5.473 -4.829 1.00 0.00 H new ATOM 652 N GLY A 42 -12.410 -5.993 0.734 1.00 0.00 N ATOM 653 CA GLY A 42 -12.529 -6.892 1.868 1.00 0.00 C ATOM 654 C GLY A 42 -11.403 -6.713 2.870 1.00 0.00 C ATOM 655 O GLY A 42 -11.560 -7.033 4.049 1.00 0.00 O ATOM 0 H GLY A 42 -11.999 -5.085 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.484 -6.721 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.535 -7.922 1.512 1.00 0.00 H new ATOM 659 N GLY A 43 -10.262 -6.195 2.403 1.00 0.00 N ATOM 660 CA GLY A 43 -9.128 -5.979 3.284 1.00 0.00 C ATOM 661 C GLY A 43 -9.284 -4.729 4.129 1.00 0.00 C ATOM 662 O GLY A 43 -10.403 -4.346 4.475 1.00 0.00 O ATOM 0 H GLY A 43 -10.108 -5.923 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.009 -6.843 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.218 -5.901 2.689 1.00 0.00 H new ATOM 666 N GLU A 44 -8.167 -4.087 4.468 1.00 0.00 N ATOM 667 CA GLU A 44 -8.202 -2.877 5.282 1.00 0.00 C ATOM 668 C GLU A 44 -6.916 -2.077 5.119 1.00 0.00 C ATOM 669 O GLU A 44 -5.827 -2.582 5.386 1.00 0.00 O ATOM 670 CB GLU A 44 -8.407 -3.235 6.757 1.00 0.00 C ATOM 671 CG GLU A 44 -8.494 -2.021 7.670 1.00 0.00 C ATOM 672 CD GLU A 44 -9.540 -2.179 8.757 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.732 -2.333 8.417 1.00 0.00 O ATOM 674 OE2 GLU A 44 -9.167 -2.147 9.949 1.00 0.00 O ATOM 0 H GLU A 44 -7.231 -4.384 4.192 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.038 -2.265 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.321 -3.821 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.584 -3.869 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.521 -1.847 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.726 -1.139 7.073 1.00 0.00 H new ATOM 681 N VAL A 45 -7.050 -0.825 4.681 1.00 0.00 N ATOM 682 CA VAL A 45 -5.896 0.048 4.486 1.00 0.00 C ATOM 683 C VAL A 45 -6.143 1.436 5.077 1.00 0.00 C ATOM 684 O VAL A 45 -7.220 2.011 4.909 1.00 0.00 O ATOM 685 CB VAL A 45 -5.534 0.182 2.989 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.647 0.882 2.219 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.214 0.921 2.824 1.00 0.00 C ATOM 0 H VAL A 45 -7.947 -0.394 4.455 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.059 -0.415 5.009 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.421 -0.820 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.367 0.964 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.568 0.305 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.803 1.879 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.975 1.006 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.298 1.917 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.422 0.370 3.331 1.00 0.00 H new ATOM 697 N LEU A 46 -5.134 1.968 5.763 1.00 0.00 N ATOM 698 CA LEU A 46 -5.231 3.290 6.376 1.00 0.00 C ATOM 699 C LEU A 46 -4.278 4.263 5.687 1.00 0.00 C ATOM 700 O LEU A 46 -3.081 4.270 5.970 1.00 0.00 O ATOM 701 CB LEU A 46 -4.908 3.210 7.875 1.00 0.00 C ATOM 702 CG LEU A 46 -5.457 1.978 8.601 1.00 0.00 C ATOM 703 CD1 LEU A 46 -4.704 1.747 9.903 1.00 0.00 C ATOM 704 CD2 LEU A 46 -6.949 2.132 8.861 1.00 0.00 C ATOM 0 H LEU A 46 -4.238 1.502 5.908 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.252 3.652 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.825 3.230 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.301 4.103 8.362 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.310 1.107 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.107 0.868 10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.647 1.590 9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.818 2.618 10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.322 1.247 9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.122 3.013 9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.474 2.246 7.912 1.00 0.00 H new ATOM 716 N ASP A 47 -4.814 5.074 4.775 1.00 0.00 N ATOM 717 CA ASP A 47 -4.005 6.046 4.035 1.00 0.00 C ATOM 718 C ASP A 47 -3.651 7.249 4.908 1.00 0.00 C ATOM 719 O ASP A 47 -4.497 8.103 5.174 1.00 0.00 O ATOM 720 CB ASP A 47 -4.747 6.514 2.779 1.00 0.00 C ATOM 721 CG ASP A 47 -5.110 5.368 1.852 1.00 0.00 C ATOM 722 OD1 ASP A 47 -6.143 4.713 2.095 1.00 0.00 O ATOM 723 OD2 ASP A 47 -4.359 5.130 0.882 1.00 0.00 O ATOM 0 H ASP A 47 -5.804 5.078 4.530 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.079 5.552 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.655 7.040 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.125 7.229 2.240 1.00 0.00 H new ATOM 728 N SER A 48 -2.397 7.307 5.352 1.00 0.00 N ATOM 729 CA SER A 48 -1.931 8.404 6.195 1.00 0.00 C ATOM 730 C SER A 48 -0.576 8.924 5.722 1.00 0.00 C ATOM 731 O SER A 48 0.426 8.205 5.768 1.00 0.00 O ATOM 732 CB SER A 48 -1.838 7.949 7.653 1.00 0.00 C ATOM 733 OG SER A 48 -2.418 8.904 8.527 1.00 0.00 O ATOM 0 H SER A 48 -1.686 6.607 5.141 1.00 0.00 H new ATOM 0 HA SER A 48 -2.653 9.217 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.344 6.991 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.793 7.793 7.922 1.00 0.00 H new ATOM 0 HG SER A 48 -2.346 8.587 9.452 1.00 0.00 H new ATOM 739 N LYS A 49 -0.551 10.178 5.269 1.00 0.00 N ATOM 740 CA LYS A 49 0.680 10.799 4.787 1.00 0.00 C ATOM 741 C LYS A 49 1.683 10.973 5.928 1.00 0.00 C ATOM 742 O LYS A 49 1.295 11.218 7.072 1.00 0.00 O ATOM 743 CB LYS A 49 0.378 12.161 4.151 1.00 0.00 C ATOM 744 CG LYS A 49 0.234 12.114 2.639 1.00 0.00 C ATOM 745 CD LYS A 49 0.011 13.500 2.054 1.00 0.00 C ATOM 746 CE LYS A 49 1.326 14.235 1.836 1.00 0.00 C ATOM 747 NZ LYS A 49 1.207 15.694 2.120 1.00 0.00 N ATOM 0 H LYS A 49 -1.371 10.783 5.226 1.00 0.00 H new ATOM 0 HA LYS A 49 1.117 10.143 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.542 12.557 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.176 12.857 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.130 11.674 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.602 11.467 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.520 13.414 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.624 14.080 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.093 13.803 2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.654 14.092 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.125 16.155 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.494 16.113 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.919 15.833 3.110 1.00 0.00 H new ATOM 761 N PRO A 50 2.993 10.849 5.630 1.00 0.00 N ATOM 762 CA PRO A 50 4.054 10.993 6.636 1.00 0.00 C ATOM 763 C PRO A 50 3.944 12.302 7.418 1.00 0.00 C ATOM 764 O PRO A 50 3.998 13.388 6.838 1.00 0.00 O ATOM 765 CB PRO A 50 5.341 10.975 5.807 1.00 0.00 C ATOM 766 CG PRO A 50 4.982 10.229 4.568 1.00 0.00 C ATOM 767 CD PRO A 50 3.542 10.556 4.290 1.00 0.00 C ATOM 0 HA PRO A 50 4.005 10.206 7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.678 11.986 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.152 10.483 6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.618 10.528 3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.119 9.156 4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.446 11.411 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.024 9.721 3.817 1.00 0.00 H new ATOM 775 N ARG A 51 3.785 12.189 8.737 1.00 0.00 N ATOM 776 CA ARG A 51 3.663 13.361 9.601 1.00 0.00 C ATOM 777 C ARG A 51 4.756 13.373 10.663 1.00 0.00 C ATOM 778 O ARG A 51 5.699 14.163 10.583 1.00 0.00 O ATOM 779 CB ARG A 51 2.287 13.392 10.271 1.00 0.00 C ATOM 780 CG ARG A 51 1.178 13.918 9.374 1.00 0.00 C ATOM 781 CD ARG A 51 0.876 15.382 9.659 1.00 0.00 C ATOM 782 NE ARG A 51 -0.091 15.938 8.714 1.00 0.00 N ATOM 783 CZ ARG A 51 0.202 16.284 7.458 1.00 0.00 C ATOM 784 NH1 ARG A 51 1.435 16.117 6.983 1.00 0.00 N ATOM 785 NH2 ARG A 51 -0.740 16.795 6.673 1.00 0.00 N ATOM 0 H ARG A 51 3.738 11.297 9.229 1.00 0.00 H new ATOM 0 HA ARG A 51 3.776 14.248 8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.030 12.384 10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.343 14.013 11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.468 13.802 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.276 13.324 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.489 15.481 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.800 15.958 9.612 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.050 16.070 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.162 15.723 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.652 16.383 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.687 16.923 7.030 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.516 17.059 5.714 1.00 0.00 H new ATOM 799 N GLU A 52 4.631 12.493 11.653 1.00 0.00 N ATOM 800 CA GLU A 52 5.616 12.406 12.722 1.00 0.00 C ATOM 801 C GLU A 52 6.722 11.435 12.336 1.00 0.00 C ATOM 802 O GLU A 52 6.461 10.270 12.029 1.00 0.00 O ATOM 803 CB GLU A 52 4.957 11.953 14.027 1.00 0.00 C ATOM 804 CG GLU A 52 4.556 13.101 14.942 1.00 0.00 C ATOM 805 CD GLU A 52 3.146 12.949 15.480 1.00 0.00 C ATOM 806 OE1 GLU A 52 2.954 12.159 16.427 1.00 0.00 O ATOM 807 OE2 GLU A 52 2.235 13.620 14.951 1.00 0.00 O ATOM 0 H GLU A 52 3.858 11.832 11.735 1.00 0.00 H new ATOM 0 HA GLU A 52 6.046 13.396 12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.072 11.363 13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.644 11.297 14.562 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.256 13.158 15.776 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.634 14.041 14.396 1.00 0.00 H new ATOM 814 N SER A 53 7.955 11.923 12.348 1.00 0.00 N ATOM 815 CA SER A 53 9.102 11.099 11.991 1.00 0.00 C ATOM 816 C SER A 53 9.731 10.474 13.240 1.00 0.00 C ATOM 817 O SER A 53 10.528 11.107 13.934 1.00 0.00 O ATOM 818 CB SER A 53 10.128 11.937 11.222 1.00 0.00 C ATOM 819 OG SER A 53 10.740 12.906 12.059 1.00 0.00 O ATOM 0 H SER A 53 8.187 12.884 12.601 1.00 0.00 H new ATOM 0 HA SER A 53 8.764 10.287 11.347 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.892 11.283 10.802 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.639 12.435 10.385 1.00 0.00 H new ATOM 0 HG SER A 53 10.982 12.493 12.914 1.00 0.00 H new ATOM 825 N LYS A 54 9.355 9.228 13.519 1.00 0.00 N ATOM 826 CA LYS A 54 9.863 8.506 14.686 1.00 0.00 C ATOM 827 C LYS A 54 10.172 7.045 14.348 1.00 0.00 C ATOM 828 O LYS A 54 10.152 6.181 15.227 1.00 0.00 O ATOM 829 CB LYS A 54 8.836 8.574 15.818 1.00 0.00 C ATOM 830 CG LYS A 54 7.528 7.854 15.509 1.00 0.00 C ATOM 831 CD LYS A 54 6.684 7.663 16.760 1.00 0.00 C ATOM 832 CE LYS A 54 5.221 7.998 16.503 1.00 0.00 C ATOM 833 NZ LYS A 54 4.346 6.798 16.601 1.00 0.00 N ATOM 0 H LYS A 54 8.697 8.694 12.951 1.00 0.00 H new ATOM 0 HA LYS A 54 10.792 8.980 15.003 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.273 8.142 16.718 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.621 9.620 16.038 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.963 8.425 14.772 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.743 6.883 15.063 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.767 6.632 17.102 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.068 8.296 17.560 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.890 8.747 17.222 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.120 8.440 15.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.395 7.086 16.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.284 6.336 15.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.746 6.132 17.292 1.00 0.00 H new ATOM 847 N GLU A 55 10.447 6.775 13.068 1.00 0.00 N ATOM 848 CA GLU A 55 10.746 5.419 12.605 1.00 0.00 C ATOM 849 C GLU A 55 9.610 4.448 12.950 1.00 0.00 C ATOM 850 O GLU A 55 9.821 3.235 13.033 1.00 0.00 O ATOM 851 CB GLU A 55 12.068 4.924 13.200 1.00 0.00 C ATOM 852 CG GLU A 55 13.037 4.391 12.156 1.00 0.00 C ATOM 853 CD GLU A 55 14.388 4.022 12.740 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.456 3.043 13.513 1.00 0.00 O ATOM 855 OE2 GLU A 55 15.379 4.710 12.419 1.00 0.00 O ATOM 0 H GLU A 55 10.468 7.482 12.333 1.00 0.00 H new ATOM 0 HA GLU A 55 10.842 5.454 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.543 5.742 13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.860 4.139 13.926 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.602 3.514 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.176 5.142 11.379 1.00 0.00 H new ATOM 862 N ASN A 56 8.404 4.987 13.138 1.00 0.00 N ATOM 863 CA ASN A 56 7.238 4.172 13.464 1.00 0.00 C ATOM 864 C ASN A 56 6.163 4.304 12.380 1.00 0.00 C ATOM 865 O ASN A 56 4.965 4.237 12.667 1.00 0.00 O ATOM 866 CB ASN A 56 6.673 4.585 14.827 1.00 0.00 C ATOM 867 CG ASN A 56 5.970 3.444 15.537 1.00 0.00 C ATOM 868 OD1 ASN A 56 6.510 2.853 16.472 1.00 0.00 O ATOM 869 ND2 ASN A 56 4.755 3.128 15.099 1.00 0.00 N ATOM 0 H ASN A 56 8.212 5.986 13.069 1.00 0.00 H new ATOM 0 HA ASN A 56 7.548 3.128 13.511 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.483 4.955 15.455 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.973 5.410 14.691 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.235 2.370 15.541 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.343 3.643 14.321 1.00 0.00 H new ATOM 876 N VAL A 57 6.597 4.489 11.132 1.00 0.00 N ATOM 877 CA VAL A 57 5.680 4.627 10.005 1.00 0.00 C ATOM 878 C VAL A 57 6.131 3.763 8.825 1.00 0.00 C ATOM 879 O VAL A 57 7.207 3.971 8.268 1.00 0.00 O ATOM 880 CB VAL A 57 5.556 6.104 9.550 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.612 6.868 10.465 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.920 6.785 9.506 1.00 0.00 C ATOM 0 H VAL A 57 7.583 4.547 10.878 1.00 0.00 H new ATOM 0 HA VAL A 57 4.702 4.286 10.344 1.00 0.00 H new ATOM 0 HB VAL A 57 5.144 6.108 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.538 7.902 10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.625 6.406 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.995 6.844 11.485 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.800 7.819 9.183 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.369 6.764 10.499 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.567 6.259 8.804 1.00 0.00 H new ATOM 892 N PHE A 58 5.296 2.790 8.451 1.00 0.00 N ATOM 893 CA PHE A 58 5.602 1.889 7.338 1.00 0.00 C ATOM 894 C PHE A 58 4.327 1.470 6.609 1.00 0.00 C ATOM 895 O PHE A 58 3.278 1.296 7.226 1.00 0.00 O ATOM 896 CB PHE A 58 6.342 0.641 7.837 1.00 0.00 C ATOM 897 CG PHE A 58 5.937 0.219 9.225 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.675 -0.301 9.464 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.811 0.363 10.290 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.292 -0.674 10.738 1.00 0.00 C ATOM 901 CE2 PHE A 58 6.434 -0.004 11.567 1.00 0.00 C ATOM 902 CZ PHE A 58 5.173 -0.523 11.791 1.00 0.00 C ATOM 0 H PHE A 58 4.401 2.606 8.904 1.00 0.00 H new ATOM 0 HA PHE A 58 6.244 2.429 6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.157 -0.182 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.415 0.834 7.823 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.982 -0.416 8.644 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.798 0.767 10.120 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.307 -1.082 10.910 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.124 0.114 12.389 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.877 -0.810 12.789 1.00 0.00 H new ATOM 912 N ILE A 59 4.427 1.307 5.294 1.00 0.00 N ATOM 913 CA ILE A 59 3.289 0.901 4.481 1.00 0.00 C ATOM 914 C ILE A 59 3.392 -0.577 4.100 1.00 0.00 C ATOM 915 O ILE A 59 4.307 -0.978 3.382 1.00 0.00 O ATOM 916 CB ILE A 59 3.177 1.775 3.205 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.136 1.202 2.239 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.529 1.904 2.517 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.973 2.011 0.971 1.00 0.00 C ATOM 0 H ILE A 59 5.289 1.451 4.768 1.00 0.00 H new ATOM 0 HA ILE A 59 2.388 1.045 5.077 1.00 0.00 H new ATOM 0 HB ILE A 59 2.850 2.770 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.420 0.183 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.174 1.143 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.426 2.521 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.241 2.368 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.889 0.915 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.220 1.545 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.658 3.024 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.923 2.048 0.439 1.00 0.00 H new ATOM 931 N VAL A 60 2.453 -1.386 4.593 1.00 0.00 N ATOM 932 CA VAL A 60 2.449 -2.820 4.305 1.00 0.00 C ATOM 933 C VAL A 60 1.572 -3.140 3.090 1.00 0.00 C ATOM 934 O VAL A 60 0.611 -2.425 2.801 1.00 0.00 O ATOM 935 CB VAL A 60 1.980 -3.660 5.526 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.411 -3.013 6.835 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.471 -3.874 5.514 1.00 0.00 C ATOM 0 H VAL A 60 1.688 -1.074 5.191 1.00 0.00 H new ATOM 0 HA VAL A 60 3.480 -3.094 4.081 1.00 0.00 H new ATOM 0 HB VAL A 60 2.459 -4.636 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.069 -3.622 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.498 -2.936 6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.975 -2.017 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.180 -4.465 6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.034 -2.908 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.186 -4.402 4.604 1.00 0.00 H new ATOM 947 N SER A 61 1.913 -4.217 2.382 1.00 0.00 N ATOM 948 CA SER A 61 1.162 -4.632 1.199 1.00 0.00 C ATOM 949 C SER A 61 0.244 -5.813 1.513 1.00 0.00 C ATOM 950 O SER A 61 0.433 -6.510 2.511 1.00 0.00 O ATOM 951 CB SER A 61 2.116 -4.998 0.059 1.00 0.00 C ATOM 952 OG SER A 61 3.202 -5.779 0.527 1.00 0.00 O ATOM 0 H SER A 61 2.706 -4.818 2.608 1.00 0.00 H new ATOM 0 HA SER A 61 0.542 -3.791 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.574 -5.549 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.494 -4.088 -0.408 1.00 0.00 H new ATOM 0 HG SER A 61 3.704 -6.132 -0.237 1.00 0.00 H new ATOM 958 N PRO A 62 -0.766 -6.059 0.652 1.00 0.00 N ATOM 959 CA PRO A 62 -1.715 -7.165 0.833 1.00 0.00 C ATOM 960 C PRO A 62 -1.028 -8.527 0.777 1.00 0.00 C ATOM 961 O PRO A 62 -0.257 -8.801 -0.144 1.00 0.00 O ATOM 962 CB PRO A 62 -2.689 -7.005 -0.341 1.00 0.00 C ATOM 963 CG PRO A 62 -1.935 -6.216 -1.356 1.00 0.00 C ATOM 964 CD PRO A 62 -1.057 -5.286 -0.571 1.00 0.00 C ATOM 0 HA PRO A 62 -2.201 -7.128 1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.992 -7.974 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.598 -6.488 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.342 -6.867 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.613 -5.661 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.147 -5.034 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.563 -4.348 -0.345 1.00 0.00 H new ATOM 972 N TYR A 63 -1.312 -9.374 1.773 1.00 0.00 N ATOM 973 CA TYR A 63 -0.722 -10.716 1.852 1.00 0.00 C ATOM 974 C TYR A 63 0.731 -10.681 2.351 1.00 0.00 C ATOM 975 O TYR A 63 1.372 -11.727 2.470 1.00 0.00 O ATOM 976 CB TYR A 63 -0.788 -11.409 0.487 1.00 0.00 C ATOM 977 CG TYR A 63 -1.377 -12.803 0.532 1.00 0.00 C ATOM 978 CD1 TYR A 63 -2.659 -13.023 1.019 1.00 0.00 C ATOM 979 CD2 TYR A 63 -0.647 -13.897 0.087 1.00 0.00 C ATOM 980 CE1 TYR A 63 -3.197 -14.295 1.060 1.00 0.00 C ATOM 981 CE2 TYR A 63 -1.179 -15.172 0.123 1.00 0.00 C ATOM 982 CZ TYR A 63 -2.454 -15.365 0.611 1.00 0.00 C ATOM 983 OH TYR A 63 -2.986 -16.634 0.650 1.00 0.00 O ATOM 0 H TYR A 63 -1.949 -9.153 2.538 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.307 -11.282 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.382 -10.797 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.218 -11.464 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.245 -12.187 1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.353 -13.749 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.195 -14.450 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.599 -16.012 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.333 -17.273 0.296 1.00 0.00 H new ATOM 993 N ASN A 64 1.246 -9.485 2.645 1.00 0.00 N ATOM 994 CA ASN A 64 2.615 -9.341 3.132 1.00 0.00 C ATOM 995 C ASN A 64 2.672 -9.465 4.653 1.00 0.00 C ATOM 996 O ASN A 64 2.117 -8.633 5.375 1.00 0.00 O ATOM 997 CB ASN A 64 3.199 -7.992 2.691 1.00 0.00 C ATOM 998 CG ASN A 64 4.446 -8.147 1.841 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.547 -7.800 2.266 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.281 -8.670 0.629 1.00 0.00 N ATOM 0 H ASN A 64 0.736 -8.606 2.554 1.00 0.00 H new ATOM 0 HA ASN A 64 3.212 -10.144 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.446 -7.441 2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.436 -7.397 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.085 -8.796 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.350 -8.945 0.315 1.00 0.00 H new ATOM 1007 N HIS A 65 3.347 -10.510 5.132 1.00 0.00 N ATOM 1008 CA HIS A 65 3.484 -10.752 6.568 1.00 0.00 C ATOM 1009 C HIS A 65 4.515 -9.807 7.184 1.00 0.00 C ATOM 1010 O HIS A 65 5.260 -9.135 6.468 1.00 0.00 O ATOM 1011 CB HIS A 65 3.892 -12.207 6.827 1.00 0.00 C ATOM 1012 CG HIS A 65 2.875 -12.992 7.597 1.00 0.00 C ATOM 1013 ND1 HIS A 65 2.239 -14.105 7.087 1.00 0.00 N ATOM 1014 CD2 HIS A 65 2.385 -12.822 8.850 1.00 0.00 C ATOM 1015 CE1 HIS A 65 1.404 -14.585 7.992 1.00 0.00 C ATOM 1016 NE2 HIS A 65 1.474 -13.825 9.069 1.00 0.00 N ATOM 0 H HIS A 65 3.809 -11.204 4.544 1.00 0.00 H new ATOM 0 HA HIS A 65 2.518 -10.564 7.035 1.00 0.00 H new ATOM 0 HB2 HIS A 65 4.071 -12.700 5.871 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.835 -12.218 7.373 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.660 -12.043 9.546 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.772 -15.452 7.871 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.938 -13.961 9.926 1.00 0.00 H new ATOM 1025 N THR A 66 4.548 -9.764 8.520 1.00 0.00 N ATOM 1026 CA THR A 66 5.477 -8.904 9.254 1.00 0.00 C ATOM 1027 C THR A 66 5.117 -7.432 9.064 1.00 0.00 C ATOM 1028 O THR A 66 5.159 -6.912 7.946 1.00 0.00 O ATOM 1029 CB THR A 66 6.930 -9.147 8.811 1.00 0.00 C ATOM 1030 OG1 THR A 66 7.112 -10.476 8.346 1.00 0.00 O ATOM 1031 CG2 THR A 66 7.941 -8.904 9.915 1.00 0.00 C ATOM 0 H THR A 66 3.936 -10.320 9.117 1.00 0.00 H new ATOM 0 HA THR A 66 5.391 -9.156 10.311 1.00 0.00 H new ATOM 0 HB THR A 66 7.104 -8.428 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.044 -10.601 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.946 -9.093 9.537 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.869 -7.870 10.253 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.736 -9.574 10.750 1.00 0.00 H new ATOM 1039 N ASN A 67 4.764 -6.763 10.160 1.00 0.00 N ATOM 1040 CA ASN A 67 4.399 -5.349 10.108 1.00 0.00 C ATOM 1041 C ASN A 67 5.616 -4.442 10.315 1.00 0.00 C ATOM 1042 O ASN A 67 5.467 -3.247 10.565 1.00 0.00 O ATOM 1043 CB ASN A 67 3.319 -5.034 11.155 1.00 0.00 C ATOM 1044 CG ASN A 67 2.171 -6.033 11.143 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.709 -6.470 12.196 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.707 -6.403 9.953 1.00 0.00 N ATOM 0 H ASN A 67 4.723 -7.176 11.092 1.00 0.00 H new ATOM 0 HA ASN A 67 4.000 -5.150 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.773 -5.023 12.146 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.925 -4.034 10.973 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.940 -7.073 9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.118 -6.017 9.103 1.00 0.00 H new ATOM 1053 N LEU A 68 6.821 -5.008 10.201 1.00 0.00 N ATOM 1054 CA LEU A 68 8.049 -4.233 10.364 1.00 0.00 C ATOM 1055 C LEU A 68 8.526 -3.674 9.017 1.00 0.00 C ATOM 1056 O LEU A 68 8.774 -2.474 8.896 1.00 0.00 O ATOM 1057 CB LEU A 68 9.147 -5.088 11.011 1.00 0.00 C ATOM 1058 CG LEU A 68 9.620 -4.606 12.387 1.00 0.00 C ATOM 1059 CD1 LEU A 68 9.948 -5.788 13.289 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.830 -3.692 12.247 1.00 0.00 C ATOM 0 H LEU A 68 6.970 -5.996 9.997 1.00 0.00 H new ATOM 0 HA LEU A 68 7.833 -3.393 11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.781 -6.110 11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.005 -5.119 10.339 1.00 0.00 H new ATOM 0 HG LEU A 68 8.810 -4.039 12.846 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.282 -5.423 14.260 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.058 -6.404 13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.739 -6.384 12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.151 -3.360 13.234 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.643 -4.235 11.765 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.563 -2.826 11.642 1.00 0.00 H new ATOM 1072 N PRO A 69 8.663 -4.537 7.981 1.00 0.00 N ATOM 1073 CA PRO A 69 9.111 -4.113 6.641 1.00 0.00 C ATOM 1074 C PRO A 69 8.182 -3.082 5.996 1.00 0.00 C ATOM 1075 O PRO A 69 7.206 -2.637 6.603 1.00 0.00 O ATOM 1076 CB PRO A 69 9.104 -5.414 5.827 1.00 0.00 C ATOM 1077 CG PRO A 69 9.142 -6.508 6.835 1.00 0.00 C ATOM 1078 CD PRO A 69 8.396 -5.987 8.027 1.00 0.00 C ATOM 0 HA PRO A 69 10.083 -3.623 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.212 -5.484 5.204 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.964 -5.465 5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.677 -7.414 6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.169 -6.764 7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.330 -6.203 7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.755 -6.434 8.954 1.00 0.00 H new ATOM 1086 N THR A 70 8.501 -2.700 4.756 1.00 0.00 N ATOM 1087 CA THR A 70 7.706 -1.716 4.018 1.00 0.00 C ATOM 1088 C THR A 70 7.586 -2.094 2.537 1.00 0.00 C ATOM 1089 O THR A 70 8.398 -2.855 2.017 1.00 0.00 O ATOM 1090 CB THR A 70 8.342 -0.327 4.160 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.699 -0.073 5.510 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.437 0.796 3.704 1.00 0.00 C ATOM 0 H THR A 70 9.306 -3.058 4.242 1.00 0.00 H new ATOM 0 HA THR A 70 6.701 -1.701 4.440 1.00 0.00 H new ATOM 0 HB THR A 70 9.221 -0.346 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.104 0.817 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.948 1.750 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.186 0.657 2.653 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.524 0.792 4.299 1.00 0.00 H new ATOM 1100 N VAL A 71 6.562 -1.559 1.867 1.00 0.00 N ATOM 1101 CA VAL A 71 6.322 -1.836 0.446 1.00 0.00 C ATOM 1102 C VAL A 71 5.857 -0.565 -0.279 1.00 0.00 C ATOM 1103 O VAL A 71 5.369 0.368 0.355 1.00 0.00 O ATOM 1104 CB VAL A 71 5.263 -2.950 0.273 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.099 -3.329 -1.191 1.00 0.00 C ATOM 1106 CG2 VAL A 71 5.628 -4.176 1.102 1.00 0.00 C ATOM 0 H VAL A 71 5.881 -0.927 2.288 1.00 0.00 H new ATOM 0 HA VAL A 71 7.261 -2.174 0.008 1.00 0.00 H new ATOM 0 HB VAL A 71 4.310 -2.561 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.348 -4.114 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.781 -2.455 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.050 -3.690 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.869 -4.947 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.596 -4.558 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.680 -3.901 2.155 1.00 0.00 H new ATOM 1116 N THR A 72 6.012 -0.525 -1.606 1.00 0.00 N ATOM 1117 CA THR A 72 5.607 0.652 -2.384 1.00 0.00 C ATOM 1118 C THR A 72 4.083 0.795 -2.438 1.00 0.00 C ATOM 1119 O THR A 72 3.352 -0.195 -2.393 1.00 0.00 O ATOM 1120 CB THR A 72 6.160 0.586 -3.814 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.360 -0.755 -4.223 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.473 1.321 -3.988 1.00 0.00 C ATOM 0 H THR A 72 6.410 -1.284 -2.159 1.00 0.00 H new ATOM 0 HA THR A 72 6.023 1.523 -1.877 1.00 0.00 H new ATOM 0 HB THR A 72 5.405 1.074 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.155 -1.117 -3.779 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.805 1.233 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.337 2.373 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.224 0.886 -3.328 1.00 0.00 H new ATOM 1130 N PRO A 73 3.589 2.047 -2.553 1.00 0.00 N ATOM 1131 CA PRO A 73 2.147 2.338 -2.634 1.00 0.00 C ATOM 1132 C PRO A 73 1.547 1.907 -3.968 1.00 0.00 C ATOM 1133 O PRO A 73 0.395 1.477 -4.033 1.00 0.00 O ATOM 1134 CB PRO A 73 2.088 3.858 -2.502 1.00 0.00 C ATOM 1135 CG PRO A 73 3.399 4.331 -3.021 1.00 0.00 C ATOM 1136 CD PRO A 73 4.399 3.280 -2.632 1.00 0.00 C ATOM 0 HA PRO A 73 1.579 1.803 -1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.261 4.274 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.940 4.160 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.368 4.459 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.662 5.298 -2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.195 3.191 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.873 3.511 -1.678 1.00 0.00 H new ATOM 1144 N THR A 74 2.351 2.020 -5.028 1.00 0.00 N ATOM 1145 CA THR A 74 1.927 1.641 -6.378 1.00 0.00 C ATOM 1146 C THR A 74 1.433 0.188 -6.430 1.00 0.00 C ATOM 1147 O THR A 74 0.766 -0.205 -7.389 1.00 0.00 O ATOM 1148 CB THR A 74 3.076 1.847 -7.373 1.00 0.00 C ATOM 1149 OG1 THR A 74 2.657 1.553 -8.697 1.00 0.00 O ATOM 1150 CG2 THR A 74 4.301 1.001 -7.074 1.00 0.00 C ATOM 0 H THR A 74 3.306 2.374 -4.976 1.00 0.00 H new ATOM 0 HA THR A 74 1.093 2.285 -6.656 1.00 0.00 H new ATOM 0 HB THR A 74 3.353 2.896 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.856 0.989 -8.669 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.071 1.200 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.682 1.249 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.031 -0.054 -7.105 1.00 0.00 H new ATOM 1158 N TYR A 75 1.760 -0.600 -5.395 1.00 0.00 N ATOM 1159 CA TYR A 75 1.340 -2.003 -5.316 1.00 0.00 C ATOM 1160 C TYR A 75 -0.127 -2.171 -5.726 1.00 0.00 C ATOM 1161 O TYR A 75 -0.488 -3.162 -6.358 1.00 0.00 O ATOM 1162 CB TYR A 75 1.540 -2.527 -3.888 1.00 0.00 C ATOM 1163 CG TYR A 75 1.549 -4.040 -3.771 1.00 0.00 C ATOM 1164 CD1 TYR A 75 0.392 -4.784 -3.974 1.00 0.00 C ATOM 1165 CD2 TYR A 75 2.715 -4.722 -3.445 1.00 0.00 C ATOM 1166 CE1 TYR A 75 0.397 -6.161 -3.856 1.00 0.00 C ATOM 1167 CE2 TYR A 75 2.728 -6.100 -3.327 1.00 0.00 C ATOM 1168 CZ TYR A 75 1.567 -6.814 -3.532 1.00 0.00 C ATOM 1169 OH TYR A 75 1.576 -8.186 -3.411 1.00 0.00 O ATOM 0 H TYR A 75 2.316 -0.286 -4.600 1.00 0.00 H new ATOM 0 HA TYR A 75 1.955 -2.578 -6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.482 -2.139 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.747 -2.130 -3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.527 -4.277 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.627 -4.167 -3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.511 -6.723 -4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.644 -6.614 -3.075 1.00 0.00 H new ATOM 0 HH TYR A 75 2.479 -8.488 -3.180 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.965 -1.194 -5.370 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.388 -1.238 -5.708 1.00 0.00 C ATOM 1181 C ILE A 76 -2.591 -1.317 -7.220 1.00 0.00 C ATOM 1182 O ILE A 76 -3.203 -2.260 -7.717 1.00 0.00 O ATOM 1183 CB ILE A 76 -3.153 -0.006 -5.172 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.890 0.197 -3.677 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.647 -0.157 -5.439 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.485 -0.880 -2.797 1.00 0.00 C ATOM 0 H ILE A 76 -0.682 -0.364 -4.848 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.786 -2.134 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.791 0.877 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.814 0.235 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.294 1.163 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.175 0.717 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.818 -0.244 -6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.017 -1.052 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.255 -0.665 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.566 -0.905 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.063 -1.847 -3.070 1.00 0.00 H new ATOM 1198 N LYS A 77 -2.070 -0.326 -7.945 1.00 0.00 N ATOM 1199 CA LYS A 77 -2.193 -0.297 -9.403 1.00 0.00 C ATOM 1200 C LYS A 77 -1.576 -1.551 -10.023 1.00 0.00 C ATOM 1201 O LYS A 77 -2.109 -2.100 -10.987 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.525 0.957 -9.975 1.00 0.00 C ATOM 1203 CG LYS A 77 -2.293 1.584 -11.129 1.00 0.00 C ATOM 1204 CD LYS A 77 -3.423 2.476 -10.634 1.00 0.00 C ATOM 1205 CE LYS A 77 -3.995 3.326 -11.759 1.00 0.00 C ATOM 1206 NZ LYS A 77 -5.433 3.647 -11.544 1.00 0.00 N ATOM 0 H LYS A 77 -1.561 0.464 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.254 -0.273 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.415 1.694 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.521 0.701 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.610 2.169 -11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.701 0.798 -11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.213 1.860 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.055 3.124 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.425 4.252 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.880 2.798 -12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.781 4.227 -12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.982 2.765 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.542 4.173 -10.654 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.459 -2.007 -9.450 1.00 0.00 N ATOM 1221 CA ALA A 78 0.219 -3.208 -9.937 1.00 0.00 C ATOM 1222 C ALA A 78 -0.580 -4.471 -9.608 1.00 0.00 C ATOM 1223 O ALA A 78 -0.454 -5.486 -10.289 1.00 0.00 O ATOM 1224 CB ALA A 78 1.619 -3.303 -9.345 1.00 0.00 C ATOM 0 H ALA A 78 -0.007 -1.563 -8.651 1.00 0.00 H new ATOM 0 HA ALA A 78 0.296 -3.131 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.111 -4.202 -9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.197 -2.426 -9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.552 -3.349 -8.258 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.396 -4.405 -8.555 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.208 -5.549 -8.143 1.00 0.00 C ATOM 1232 C CYS A 79 -3.595 -5.519 -8.786 1.00 0.00 C ATOM 1233 O CYS A 79 -4.216 -6.561 -8.977 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.339 -5.578 -6.621 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.803 -7.192 -5.948 1.00 0.00 S ATOM 0 H CYS A 79 -1.511 -3.574 -7.974 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.703 -6.453 -8.482 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.390 -5.272 -6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.084 -4.842 -6.317 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.414 -8.129 -6.760 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.076 -4.323 -9.112 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.389 -4.172 -9.731 1.00 0.00 C ATOM 1243 C CYS A 80 -5.297 -4.256 -11.256 1.00 0.00 C ATOM 1244 O CYS A 80 -6.208 -4.763 -11.912 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.019 -2.840 -9.316 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.686 -2.573 -9.964 1.00 0.00 S ATOM 0 H CYS A 80 -3.578 -3.446 -8.958 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.020 -4.991 -9.384 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.052 -2.790 -8.228 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.376 -2.027 -9.653 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.849 -3.275 -11.046 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.196 -3.751 -11.815 1.00 0.00 N ATOM 1253 CA GLN A 81 -3.992 -3.765 -13.263 1.00 0.00 C ATOM 1254 C GLN A 81 -3.110 -4.936 -13.699 1.00 0.00 C ATOM 1255 O GLN A 81 -3.395 -5.593 -14.700 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.368 -2.442 -13.726 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.182 -1.214 -13.345 1.00 0.00 C ATOM 1258 CD GLN A 81 -5.261 -0.890 -14.359 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -5.122 0.038 -15.156 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -6.347 -1.655 -14.335 1.00 0.00 N ATOM 0 H GLN A 81 -3.433 -3.328 -11.287 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.969 -3.888 -13.730 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.370 -2.352 -13.298 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.249 -2.466 -14.809 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.642 -1.376 -12.370 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.515 -0.358 -13.244 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.421 -2.414 -13.658 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.106 -1.483 -14.994 1.00 0.00 H new ATOM 1269 N SER A 82 -2.036 -5.186 -12.951 1.00 0.00 N ATOM 1270 CA SER A 82 -1.111 -6.275 -13.277 1.00 0.00 C ATOM 1271 C SER A 82 -1.403 -7.539 -12.458 1.00 0.00 C ATOM 1272 O SER A 82 -0.840 -8.601 -12.735 1.00 0.00 O ATOM 1273 CB SER A 82 0.339 -5.811 -13.056 1.00 0.00 C ATOM 1274 OG SER A 82 1.201 -6.897 -12.759 1.00 0.00 O ATOM 0 H SER A 82 -1.784 -4.653 -12.119 1.00 0.00 H new ATOM 0 HA SER A 82 -1.252 -6.533 -14.327 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.696 -5.297 -13.949 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.369 -5.089 -12.240 1.00 0.00 H new ATOM 0 HG SER A 82 0.786 -7.734 -13.054 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.280 -7.426 -11.455 1.00 0.00 N ATOM 1281 CA ASN A 83 -2.637 -8.561 -10.604 1.00 0.00 C ATOM 1282 C ASN A 83 -1.470 -8.942 -9.691 1.00 0.00 C ATOM 1283 O ASN A 83 -1.489 -8.654 -8.495 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.074 -9.763 -11.453 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.419 -10.322 -11.022 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.776 -10.276 -9.843 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.177 -10.854 -11.976 1.00 0.00 N ATOM 0 H ASN A 83 -2.756 -6.557 -11.214 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.478 -8.263 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.127 -9.464 -12.500 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.319 -10.546 -11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.091 -11.243 -11.744 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.845 -10.873 -12.940 1.00 0.00 H new ATOM 1294 N SER A 84 -0.451 -9.583 -10.266 1.00 0.00 N ATOM 1295 CA SER A 84 0.729 -9.994 -9.509 1.00 0.00 C ATOM 1296 C SER A 84 1.806 -10.565 -10.440 1.00 0.00 C ATOM 1297 O SER A 84 2.505 -11.516 -10.088 1.00 0.00 O ATOM 1298 CB SER A 84 0.348 -11.029 -8.444 1.00 0.00 C ATOM 1299 OG SER A 84 1.076 -10.818 -7.245 1.00 0.00 O ATOM 0 H SER A 84 -0.421 -9.828 -11.256 1.00 0.00 H new ATOM 0 HA SER A 84 1.136 -9.113 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.721 -10.969 -8.240 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.544 -12.033 -8.821 1.00 0.00 H new ATOM 0 HG SER A 84 0.814 -11.490 -6.581 1.00 0.00 H new ATOM 1305 N LEU A 85 1.930 -9.971 -11.628 1.00 0.00 N ATOM 1306 CA LEU A 85 2.914 -10.412 -12.613 1.00 0.00 C ATOM 1307 C LEU A 85 4.269 -9.746 -12.371 1.00 0.00 C ATOM 1308 O LEU A 85 5.317 -10.365 -12.558 1.00 0.00 O ATOM 1309 CB LEU A 85 2.412 -10.096 -14.029 1.00 0.00 C ATOM 1310 CG LEU A 85 2.409 -11.277 -15.007 1.00 0.00 C ATOM 1311 CD1 LEU A 85 3.826 -11.765 -15.260 1.00 0.00 C ATOM 1312 CD2 LEU A 85 1.534 -12.408 -14.482 1.00 0.00 C ATOM 0 H LEU A 85 1.359 -9.182 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 85 3.045 -11.489 -12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.398 -9.704 -13.957 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.032 -9.302 -14.447 1.00 0.00 H new ATOM 0 HG LEU A 85 1.991 -10.936 -15.954 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.803 -12.603 -15.956 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.419 -10.956 -15.686 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.273 -12.087 -14.320 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.546 -13.236 -15.191 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.918 -12.748 -13.520 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.512 -12.050 -14.359 1.00 0.00 H new ATOM 1324 N LEU A 86 4.240 -8.480 -11.955 1.00 0.00 N ATOM 1325 CA LEU A 86 5.460 -7.730 -11.687 1.00 0.00 C ATOM 1326 C LEU A 86 5.687 -7.582 -10.185 1.00 0.00 C ATOM 1327 O LEU A 86 5.261 -6.599 -9.573 1.00 0.00 O ATOM 1328 CB LEU A 86 5.393 -6.352 -12.353 1.00 0.00 C ATOM 1329 CG LEU A 86 5.661 -6.349 -13.860 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.567 -7.106 -14.600 1.00 0.00 C ATOM 1331 CD2 LEU A 86 5.773 -4.922 -14.379 1.00 0.00 C ATOM 0 H LEU A 86 3.381 -7.954 -11.797 1.00 0.00 H new ATOM 0 HA LEU A 86 6.301 -8.283 -12.106 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.406 -5.926 -12.174 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.116 -5.696 -11.869 1.00 0.00 H new ATOM 0 HG LEU A 86 6.609 -6.855 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.775 -7.093 -15.670 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.537 -8.137 -14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.604 -6.631 -14.412 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.964 -4.939 -15.452 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.842 -4.390 -14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.594 -4.414 -13.873 1.00 0.00 H new ATOM 1343 N ASN A 87 6.365 -8.568 -9.597 1.00 0.00 N ATOM 1344 CA ASN A 87 6.659 -8.557 -8.165 1.00 0.00 C ATOM 1345 C ASN A 87 7.983 -7.853 -7.884 1.00 0.00 C ATOM 1346 O ASN A 87 8.193 -7.339 -6.787 1.00 0.00 O ATOM 1347 CB ASN A 87 6.684 -9.984 -7.604 1.00 0.00 C ATOM 1348 CG ASN A 87 7.803 -10.828 -8.188 1.00 0.00 C ATOM 1349 OD1 ASN A 87 9.020 -10.635 -7.685 1.00 0.00 O flip ATOM 1350 ND2 ASN A 87 7.577 -11.643 -9.082 1.00 0.00 N flip ATOM 0 H ASN A 87 6.721 -9.386 -10.092 1.00 0.00 H new ATOM 0 HA ASN A 87 5.865 -8.003 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.795 -9.941 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.728 -10.466 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.628 -11.759 -9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.338 -12.203 -9.466 1.00 0.00 H new ATOM 1357 N MET A 88 8.870 -7.819 -8.883 1.00 0.00 N ATOM 1358 CA MET A 88 10.162 -7.155 -8.733 1.00 0.00 C ATOM 1359 C MET A 88 9.967 -5.686 -8.361 1.00 0.00 C ATOM 1360 O MET A 88 10.834 -5.075 -7.734 1.00 0.00 O ATOM 1361 CB MET A 88 10.979 -7.264 -10.027 1.00 0.00 C ATOM 1362 CG MET A 88 12.417 -7.709 -9.803 1.00 0.00 C ATOM 1363 SD MET A 88 13.464 -6.391 -9.159 1.00 0.00 S ATOM 1364 CE MET A 88 13.954 -7.084 -7.581 1.00 0.00 C ATOM 0 H MET A 88 8.716 -8.242 -9.798 1.00 0.00 H new ATOM 0 HA MET A 88 10.709 -7.652 -7.932 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.489 -7.970 -10.698 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.981 -6.296 -10.529 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.429 -8.548 -9.108 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.832 -8.069 -10.744 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.607 -6.382 -7.062 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.068 -7.271 -6.975 1.00 0.00 H new ATOM 0 HE3 MET A 88 14.486 -8.021 -7.745 1.00 0.00 H new ATOM 1374 N GLU A 89 8.816 -5.127 -8.746 1.00 0.00 N ATOM 1375 CA GLU A 89 8.503 -3.733 -8.446 1.00 0.00 C ATOM 1376 C GLU A 89 7.901 -3.563 -7.058 1.00 0.00 C ATOM 1377 O GLU A 89 7.584 -2.441 -6.658 1.00 0.00 O ATOM 1378 CB GLU A 89 7.567 -3.153 -9.510 1.00 0.00 C ATOM 1379 CG GLU A 89 8.116 -1.910 -10.192 1.00 0.00 C ATOM 1380 CD GLU A 89 7.066 -1.170 -10.999 1.00 0.00 C ATOM 1381 OE1 GLU A 89 6.080 -0.692 -10.398 1.00 0.00 O ATOM 1382 OE2 GLU A 89 7.230 -1.068 -12.232 1.00 0.00 O ATOM 0 H GLU A 89 8.089 -5.620 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 89 9.443 -3.182 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.372 -3.915 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.610 -2.911 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.528 -1.239 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.938 -2.195 -10.848 1.00 0.00 H new ATOM 1389 N ASN A 90 7.782 -4.659 -6.305 1.00 0.00 N ATOM 1390 CA ASN A 90 7.264 -4.578 -4.945 1.00 0.00 C ATOM 1391 C ASN A 90 8.071 -3.540 -4.168 1.00 0.00 C ATOM 1392 O ASN A 90 7.556 -2.904 -3.248 1.00 0.00 O ATOM 1393 CB ASN A 90 7.355 -5.938 -4.245 1.00 0.00 C ATOM 1394 CG ASN A 90 6.091 -6.768 -4.388 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.649 -7.407 -3.434 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.501 -6.772 -5.581 1.00 0.00 N ATOM 0 H ASN A 90 8.034 -5.599 -6.612 1.00 0.00 H new ATOM 0 HA ASN A 90 6.215 -4.285 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.197 -6.496 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.562 -5.782 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.652 -7.318 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.898 -6.229 -6.348 1.00 0.00 H new ATOM 1403 N TYR A 91 9.347 -3.375 -4.565 1.00 0.00 N ATOM 1404 CA TYR A 91 10.249 -2.421 -3.939 1.00 0.00 C ATOM 1405 C TYR A 91 10.090 -2.429 -2.424 1.00 0.00 C ATOM 1406 O TYR A 91 10.113 -1.385 -1.769 1.00 0.00 O ATOM 1407 CB TYR A 91 10.015 -1.022 -4.518 1.00 0.00 C ATOM 1408 CG TYR A 91 11.155 -0.067 -4.256 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.374 -0.233 -4.895 1.00 0.00 C ATOM 1410 CD2 TYR A 91 11.017 0.991 -3.367 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.426 0.625 -4.659 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.065 1.857 -3.125 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.269 1.671 -3.773 1.00 0.00 C ATOM 1414 OH TYR A 91 14.319 2.529 -3.530 1.00 0.00 O ATOM 0 H TYR A 91 9.770 -3.904 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 91 11.275 -2.716 -4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.859 -1.103 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.100 -0.609 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.501 -1.050 -5.590 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.076 1.139 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.369 0.479 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.943 2.676 -2.432 1.00 0.00 H new ATOM 0 HH TYR A 91 14.042 3.210 -2.882 1.00 0.00 H new ATOM 1424 N LEU A 92 9.933 -3.631 -1.880 1.00 0.00 N ATOM 1425 CA LEU A 92 9.773 -3.800 -0.440 1.00 0.00 C ATOM 1426 C LEU A 92 11.117 -3.664 0.275 1.00 0.00 C ATOM 1427 O LEU A 92 12.159 -4.031 -0.269 1.00 0.00 O ATOM 1428 CB LEU A 92 9.128 -5.154 -0.092 1.00 0.00 C ATOM 1429 CG LEU A 92 9.489 -6.338 -0.999 1.00 0.00 C ATOM 1430 CD1 LEU A 92 10.998 -6.520 -1.078 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.827 -7.613 -0.492 1.00 0.00 C ATOM 0 H LEU A 92 9.913 -4.501 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 92 9.105 -3.010 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.405 -5.411 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.045 -5.030 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 92 9.119 -6.125 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.229 -7.365 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.453 -5.616 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.394 -6.709 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.092 -8.445 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.170 -7.823 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.745 -7.484 -0.489 1.00 0.00 H new ATOM 1443 N VAL A 93 11.078 -3.138 1.496 1.00 0.00 N ATOM 1444 CA VAL A 93 12.284 -2.954 2.295 1.00 0.00 C ATOM 1445 C VAL A 93 12.544 -4.185 3.163 1.00 0.00 C ATOM 1446 O VAL A 93 11.816 -4.439 4.126 1.00 0.00 O ATOM 1447 CB VAL A 93 12.185 -1.702 3.200 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.506 -1.449 3.910 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.768 -0.480 2.392 1.00 0.00 C ATOM 0 H VAL A 93 10.220 -2.831 1.954 1.00 0.00 H new ATOM 0 HA VAL A 93 13.112 -2.813 1.600 1.00 0.00 H new ATOM 0 HB VAL A 93 11.419 -1.888 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.416 -0.565 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.758 -2.311 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.291 -1.289 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.705 0.387 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.505 -0.291 1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.795 -0.660 1.936 1.00 0.00 H new ATOM 1459 N PRO A 94 13.585 -4.975 2.826 1.00 0.00 N ATOM 1460 CA PRO A 94 13.934 -6.191 3.572 1.00 0.00 C ATOM 1461 C PRO A 94 14.313 -5.894 5.019 1.00 0.00 C ATOM 1462 O PRO A 94 15.181 -5.062 5.288 1.00 0.00 O ATOM 1463 CB PRO A 94 15.140 -6.759 2.812 1.00 0.00 C ATOM 1464 CG PRO A 94 15.095 -6.112 1.472 1.00 0.00 C ATOM 1465 CD PRO A 94 14.497 -4.754 1.692 1.00 0.00 C ATOM 0 HA PRO A 94 13.092 -6.881 3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.073 -6.532 3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.077 -7.844 2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.094 -6.034 1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.493 -6.696 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.259 -4.010 1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.965 -4.399 0.809 1.00 0.00 H new