USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=24 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 75 TYR OH : rot 30:sc= 0.0343 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.157 X(o=0.19,f=0.66) USER MOD Set 2.1: A 61 SER OG : rot 164:sc= -1.77! USER MOD Set 2.2: A 64 ASN : amide:sc= 0 X(o=-1.8,f=-1.8) USER MOD Set 3.1: A 54 LYS NZ :NH3+ -114:sc= -0.0222 (180deg=-0.053) USER MOD Set 3.2: A 56 ASN : amide:sc= -0.0424 X(o=-0.065,f=-0.039) USER MOD Single : A 12 SER OG : rot -43:sc= 0.676 USER MOD Single : A 13 ASN : amide:sc= -1.81 X(o=-1.8,f=-2.2) USER MOD Single : A 14 MET CE :methyl -166:sc=-0.00377 (180deg=-0.29) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= -0.226 (180deg=-0.299) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 19 ASN : amide:sc= -2.99! C(o=-3!,f=-4.1!) USER MOD Single : A 27 SER OG : rot 47:sc= 1.03 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.128 F(o=-0.69,f=-0.13) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00799) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc=-0.00637 X(o=-0.0064,f=-0.0064) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.59) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0674 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -91:sc= 0.115 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.0588 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -110:sc= -0.438 USER MOD Single : A 83 ASN : amide:sc= -0.54 K(o=-0.54,f=-4.1!) USER MOD Single : A 84 SER OG : rot 57:sc= 0.607 USER MOD Single : A 88 MET CE :methyl 162:sc= -1.54 (180deg=-2.24!) USER MOD Single : A 90 ASN :FLIP amide:sc= -2.14! C(o=-3.7!,f=-2.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LEU A 11 -10.909 -10.920 -1.212 1.00 0.00 N ATOM 155 CA LEU A 11 -9.490 -10.884 -0.878 1.00 0.00 C ATOM 156 C LEU A 11 -9.298 -10.769 0.632 1.00 0.00 C ATOM 157 O LEU A 11 -9.240 -11.784 1.323 1.00 0.00 O ATOM 158 CB LEU A 11 -8.788 -9.739 -1.615 1.00 0.00 C ATOM 159 CG LEU A 11 -7.796 -10.182 -2.690 1.00 0.00 C ATOM 160 CD1 LEU A 11 -8.531 -10.747 -3.899 1.00 0.00 C ATOM 161 CD2 LEU A 11 -6.899 -9.022 -3.098 1.00 0.00 C ATOM 0 HA LEU A 11 -9.034 -11.819 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.545 -9.105 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.261 -9.125 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.168 -10.971 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.807 -11.057 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.127 -11.607 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.186 -9.982 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.199 -9.355 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.510 -8.211 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.344 -8.668 -2.229 1.00 0.00 H new ATOM 173 N SER A 12 -9.214 -9.532 1.143 1.00 0.00 N ATOM 174 CA SER A 12 -9.041 -9.292 2.575 1.00 0.00 C ATOM 175 C SER A 12 -7.759 -9.952 3.107 1.00 0.00 C ATOM 176 O SER A 12 -7.663 -11.178 3.204 1.00 0.00 O ATOM 177 CB SER A 12 -10.283 -9.781 3.340 1.00 0.00 C ATOM 178 OG SER A 12 -10.061 -11.021 3.993 1.00 0.00 O ATOM 0 H SER A 12 -9.264 -8.683 0.580 1.00 0.00 H new ATOM 0 HA SER A 12 -8.933 -8.219 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.571 -9.031 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.117 -9.883 2.646 1.00 0.00 H new ATOM 0 HG SER A 12 -9.578 -11.626 3.392 1.00 0.00 H new ATOM 184 N ASN A 13 -6.770 -9.131 3.451 1.00 0.00 N ATOM 185 CA ASN A 13 -5.501 -9.642 3.969 1.00 0.00 C ATOM 186 C ASN A 13 -4.892 -8.683 4.992 1.00 0.00 C ATOM 187 O ASN A 13 -4.990 -8.916 6.198 1.00 0.00 O ATOM 188 CB ASN A 13 -4.517 -9.895 2.820 1.00 0.00 C ATOM 189 CG ASN A 13 -4.160 -11.362 2.677 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.857 -12.117 2.003 1.00 0.00 O ATOM 191 ND2 ASN A 13 -3.066 -11.775 3.311 1.00 0.00 N ATOM 0 H ASN A 13 -6.821 -8.115 3.382 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.702 -10.587 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.952 -9.537 1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.608 -9.318 2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.778 -12.751 3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.515 -11.115 3.860 1.00 0.00 H new ATOM 198 N MET A 14 -4.265 -7.606 4.508 1.00 0.00 N ATOM 199 CA MET A 14 -3.641 -6.619 5.390 1.00 0.00 C ATOM 200 C MET A 14 -3.032 -5.469 4.589 1.00 0.00 C ATOM 201 O MET A 14 -2.323 -5.691 3.607 1.00 0.00 O ATOM 202 CB MET A 14 -2.557 -7.280 6.253 1.00 0.00 C ATOM 203 CG MET A 14 -2.624 -6.887 7.719 1.00 0.00 C ATOM 204 SD MET A 14 -2.044 -5.206 8.014 1.00 0.00 S ATOM 205 CE MET A 14 -3.562 -4.404 8.522 1.00 0.00 C ATOM 0 H MET A 14 -4.177 -7.397 3.513 1.00 0.00 H new ATOM 0 HA MET A 14 -4.419 -6.215 6.038 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.649 -8.363 6.171 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.577 -7.013 5.858 1.00 0.00 H new ATOM 0 HG2 MET A 14 -3.652 -6.979 8.069 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.024 -7.583 8.305 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.427 -3.323 8.499 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.367 -4.684 7.842 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.818 -4.717 9.534 1.00 0.00 H new ATOM 215 N LYS A 15 -3.309 -4.241 5.025 1.00 0.00 N ATOM 216 CA LYS A 15 -2.791 -3.047 4.367 1.00 0.00 C ATOM 217 C LYS A 15 -2.520 -1.955 5.398 1.00 0.00 C ATOM 218 O LYS A 15 -3.202 -1.871 6.419 1.00 0.00 O ATOM 219 CB LYS A 15 -3.779 -2.543 3.313 1.00 0.00 C ATOM 220 CG LYS A 15 -3.108 -1.929 2.093 1.00 0.00 C ATOM 221 CD LYS A 15 -3.681 -2.487 0.799 1.00 0.00 C ATOM 222 CE LYS A 15 -5.175 -2.220 0.686 1.00 0.00 C ATOM 223 NZ LYS A 15 -5.471 -1.081 -0.227 1.00 0.00 N ATOM 0 H LYS A 15 -3.894 -4.048 5.838 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.856 -3.304 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.409 -3.372 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.436 -1.801 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.237 -0.847 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.036 -2.123 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.166 -2.039 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.498 -3.561 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.677 -3.116 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.581 -2.007 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.491 -0.878 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.946 -0.240 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.183 -1.328 -1.195 1.00 0.00 H new ATOM 237 N PHE A 16 -1.514 -1.131 5.137 1.00 0.00 N ATOM 238 CA PHE A 16 -1.157 -0.056 6.058 1.00 0.00 C ATOM 239 C PHE A 16 -0.388 1.040 5.329 1.00 0.00 C ATOM 240 O PHE A 16 0.674 0.786 4.773 1.00 0.00 O ATOM 241 CB PHE A 16 -0.329 -0.625 7.214 1.00 0.00 C ATOM 242 CG PHE A 16 -0.010 0.372 8.294 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.023 1.064 8.941 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.303 0.613 8.666 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.731 1.974 9.937 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.600 1.522 9.664 1.00 0.00 C ATOM 247 CZ PHE A 16 0.582 2.205 10.300 1.00 0.00 C ATOM 0 H PHE A 16 -0.933 -1.184 4.301 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.068 0.387 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.870 -1.462 7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.604 -1.023 6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.052 0.889 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.104 0.084 8.170 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.529 2.506 10.433 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.627 1.698 9.946 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.811 2.917 11.079 1.00 0.00 H new ATOM 257 N TYR A 17 -0.928 2.255 5.323 1.00 0.00 N ATOM 258 CA TYR A 17 -0.274 3.374 4.643 1.00 0.00 C ATOM 259 C TYR A 17 0.216 4.418 5.648 1.00 0.00 C ATOM 260 O TYR A 17 -0.522 5.327 6.023 1.00 0.00 O ATOM 261 CB TYR A 17 -1.245 4.018 3.645 1.00 0.00 C ATOM 262 CG TYR A 17 -1.308 3.337 2.292 1.00 0.00 C ATOM 263 CD1 TYR A 17 -0.896 2.019 2.117 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.790 4.018 1.184 1.00 0.00 C ATOM 265 CE1 TYR A 17 -0.962 1.407 0.881 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.860 3.412 -0.055 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.445 2.108 -0.203 1.00 0.00 C ATOM 268 OH TYR A 17 -1.510 1.501 -1.437 1.00 0.00 O ATOM 0 H TYR A 17 -1.810 2.492 5.777 1.00 0.00 H new ATOM 0 HA TYR A 17 0.592 2.989 4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.244 4.021 4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.957 5.059 3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.518 1.465 2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.117 5.042 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.637 0.384 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.239 3.960 -0.905 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.875 2.131 -2.093 1.00 0.00 H new ATOM 278 N LEU A 18 1.472 4.290 6.076 1.00 0.00 N ATOM 279 CA LEU A 18 2.052 5.230 7.029 1.00 0.00 C ATOM 280 C LEU A 18 3.563 5.343 6.826 1.00 0.00 C ATOM 281 O LEU A 18 4.346 4.847 7.630 1.00 0.00 O ATOM 282 CB LEU A 18 1.729 4.794 8.466 1.00 0.00 C ATOM 283 CG LEU A 18 0.678 5.648 9.186 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.717 5.069 8.991 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.002 5.758 10.669 1.00 0.00 C ATOM 0 H LEU A 18 2.104 3.547 5.778 1.00 0.00 H new ATOM 0 HA LEU A 18 1.614 6.213 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.383 3.761 8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.650 4.811 9.049 1.00 0.00 H new ATOM 0 HG LEU A 18 0.699 6.647 8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.445 5.692 9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.955 5.043 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.751 4.057 9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.245 6.368 11.163 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.013 4.763 11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.980 6.222 10.794 1.00 0.00 H new ATOM 297 N ASN A 19 3.968 6.000 5.739 1.00 0.00 N ATOM 298 CA ASN A 19 5.390 6.173 5.433 1.00 0.00 C ATOM 299 C ASN A 19 6.062 7.100 6.443 1.00 0.00 C ATOM 300 O ASN A 19 5.392 7.862 7.142 1.00 0.00 O ATOM 301 CB ASN A 19 5.579 6.735 4.021 1.00 0.00 C ATOM 302 CG ASN A 19 4.786 5.977 2.974 1.00 0.00 C ATOM 303 OD1 ASN A 19 5.159 4.874 2.577 1.00 0.00 O ATOM 304 ND2 ASN A 19 3.686 6.565 2.521 1.00 0.00 N ATOM 0 H ASN A 19 3.335 6.420 5.058 1.00 0.00 H new ATOM 0 HA ASN A 19 5.858 5.190 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.279 7.783 4.009 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.637 6.704 3.761 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.113 6.101 1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.413 7.481 2.878 1.00 0.00 H new ATOM 311 N ARG A 20 7.393 7.031 6.509 1.00 0.00 N ATOM 312 CA ARG A 20 8.157 7.867 7.429 1.00 0.00 C ATOM 313 C ARG A 20 8.290 9.291 6.890 1.00 0.00 C ATOM 314 O ARG A 20 7.633 10.207 7.381 1.00 0.00 O ATOM 315 CB ARG A 20 9.545 7.267 7.680 1.00 0.00 C ATOM 316 CG ARG A 20 9.626 6.429 8.947 1.00 0.00 C ATOM 317 CD ARG A 20 10.184 7.228 10.117 1.00 0.00 C ATOM 318 NE ARG A 20 11.377 6.603 10.690 1.00 0.00 N ATOM 319 CZ ARG A 20 12.612 6.754 10.197 1.00 0.00 C ATOM 320 NH1 ARG A 20 12.823 7.508 9.119 1.00 0.00 N ATOM 321 NH2 ARG A 20 13.639 6.148 10.787 1.00 0.00 N ATOM 0 H ARG A 20 7.960 6.406 5.937 1.00 0.00 H new ATOM 0 HA ARG A 20 7.616 7.905 8.374 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.824 6.649 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.275 8.074 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.633 6.057 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.257 5.558 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.428 8.237 9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.419 7.324 10.888 1.00 0.00 H new ATOM 0 HE ARG A 20 11.260 6.016 11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.040 7.976 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.768 7.617 8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.484 5.570 11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.581 6.261 10.413 1.00 0.00 H new ATOM 397 N ASP A 26 5.677 9.311 -5.509 1.00 0.00 N ATOM 398 CA ASP A 26 4.714 8.567 -6.321 1.00 0.00 C ATOM 399 C ASP A 26 3.295 9.060 -6.057 1.00 0.00 C ATOM 400 O ASP A 26 2.678 9.686 -6.919 1.00 0.00 O ATOM 401 CB ASP A 26 4.808 7.063 -6.035 1.00 0.00 C ATOM 402 CG ASP A 26 5.036 6.249 -7.294 1.00 0.00 C ATOM 403 OD1 ASP A 26 4.051 5.986 -8.017 1.00 0.00 O ATOM 404 OD2 ASP A 26 6.198 5.872 -7.555 1.00 0.00 O ATOM 0 HA ASP A 26 4.956 8.738 -7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.622 6.879 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.890 6.730 -5.551 1.00 0.00 H new ATOM 409 N SER A 27 2.787 8.775 -4.855 1.00 0.00 N ATOM 410 CA SER A 27 1.441 9.185 -4.461 1.00 0.00 C ATOM 411 C SER A 27 1.201 8.881 -2.985 1.00 0.00 C ATOM 412 O SER A 27 1.749 7.918 -2.446 1.00 0.00 O ATOM 413 CB SER A 27 0.389 8.472 -5.315 1.00 0.00 C ATOM 414 OG SER A 27 0.030 9.249 -6.445 1.00 0.00 O ATOM 0 H SER A 27 3.293 8.259 -4.136 1.00 0.00 H new ATOM 0 HA SER A 27 1.354 10.260 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.776 7.507 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.497 8.272 -4.712 1.00 0.00 H new ATOM 0 HG SER A 27 0.840 9.588 -6.880 1.00 0.00 H new ATOM 420 N LEU A 28 0.382 9.707 -2.337 1.00 0.00 N ATOM 421 CA LEU A 28 0.070 9.525 -0.920 1.00 0.00 C ATOM 422 C LEU A 28 -1.401 9.822 -0.634 1.00 0.00 C ATOM 423 O LEU A 28 -2.081 9.033 0.025 1.00 0.00 O ATOM 424 CB LEU A 28 0.970 10.417 -0.057 1.00 0.00 C ATOM 425 CG LEU A 28 1.810 9.673 0.982 1.00 0.00 C ATOM 426 CD1 LEU A 28 0.911 8.902 1.937 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.795 8.732 0.304 1.00 0.00 C ATOM 0 H LEU A 28 -0.077 10.508 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 28 0.258 8.482 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.639 10.974 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.346 11.148 0.458 1.00 0.00 H new ATOM 0 HG LEU A 28 2.377 10.408 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.524 8.378 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.245 9.596 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.319 8.179 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.382 8.213 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.249 8.003 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.461 9.305 -0.341 1.00 0.00 H new ATOM 439 N ASN A 29 -1.889 10.955 -1.137 1.00 0.00 N ATOM 440 CA ASN A 29 -3.282 11.343 -0.943 1.00 0.00 C ATOM 441 C ASN A 29 -4.164 10.778 -2.060 1.00 0.00 C ATOM 442 O ASN A 29 -5.332 10.462 -1.837 1.00 0.00 O ATOM 443 CB ASN A 29 -3.409 12.869 -0.895 1.00 0.00 C ATOM 444 CG ASN A 29 -4.784 13.321 -0.439 1.00 0.00 C ATOM 445 OD1 ASN A 29 -4.989 13.371 0.874 1.00 0.00 O flip ATOM 446 ND2 ASN A 29 -5.651 13.626 -1.257 1.00 0.00 N flip ATOM 0 H ASN A 29 -1.339 11.619 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.620 10.930 0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.654 13.273 -0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.204 13.279 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.451 13.573 -2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.570 13.932 -0.936 1.00 0.00 H new ATOM 453 N ASP A 30 -3.594 10.656 -3.264 1.00 0.00 N ATOM 454 CA ASP A 30 -4.328 10.131 -4.414 1.00 0.00 C ATOM 455 C ASP A 30 -4.566 8.630 -4.285 1.00 0.00 C ATOM 456 O ASP A 30 -5.627 8.130 -4.667 1.00 0.00 O ATOM 457 CB ASP A 30 -3.572 10.425 -5.711 1.00 0.00 C ATOM 458 CG ASP A 30 -4.416 10.168 -6.947 1.00 0.00 C ATOM 459 OD1 ASP A 30 -5.446 10.854 -7.116 1.00 0.00 O ATOM 460 OD2 ASP A 30 -4.045 9.282 -7.744 1.00 0.00 O ATOM 0 H ASP A 30 -2.628 10.914 -3.464 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.297 10.630 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.244 11.464 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.675 9.807 -5.753 1.00 0.00 H new ATOM 465 N ILE A 31 -3.578 7.911 -3.744 1.00 0.00 N ATOM 466 CA ILE A 31 -3.696 6.461 -3.566 1.00 0.00 C ATOM 467 C ILE A 31 -4.930 6.104 -2.738 1.00 0.00 C ATOM 468 O ILE A 31 -5.482 5.021 -2.888 1.00 0.00 O ATOM 469 CB ILE A 31 -2.446 5.845 -2.907 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.070 6.617 -1.641 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.285 5.819 -3.893 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.717 6.245 -1.078 1.00 0.00 C ATOM 0 H ILE A 31 -2.694 8.306 -3.424 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.795 6.041 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.674 4.818 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.080 7.684 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.830 6.441 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.410 5.381 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.559 5.221 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.054 6.836 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.521 6.834 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.707 5.185 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.054 6.448 -1.821 1.00 0.00 H new ATOM 484 N ASP A 32 -5.368 7.028 -1.880 1.00 0.00 N ATOM 485 CA ASP A 32 -6.552 6.812 -1.055 1.00 0.00 C ATOM 486 C ASP A 32 -7.760 6.471 -1.928 1.00 0.00 C ATOM 487 O ASP A 32 -8.635 5.700 -1.529 1.00 0.00 O ATOM 488 CB ASP A 32 -6.843 8.064 -0.222 1.00 0.00 C ATOM 489 CG ASP A 32 -8.022 7.885 0.715 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.174 7.897 0.232 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.793 7.739 1.934 1.00 0.00 O ATOM 0 H ASP A 32 -4.918 7.933 -1.741 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.361 5.973 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.958 8.322 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.040 8.902 -0.891 1.00 0.00 H new ATOM 496 N GLN A 33 -7.791 7.055 -3.126 1.00 0.00 N ATOM 497 CA GLN A 33 -8.874 6.824 -4.070 1.00 0.00 C ATOM 498 C GLN A 33 -8.698 5.494 -4.802 1.00 0.00 C ATOM 499 O GLN A 33 -9.640 4.706 -4.894 1.00 0.00 O ATOM 500 CB GLN A 33 -8.950 7.977 -5.071 1.00 0.00 C ATOM 501 CG GLN A 33 -10.147 7.899 -6.002 1.00 0.00 C ATOM 502 CD GLN A 33 -9.845 8.445 -7.383 1.00 0.00 C ATOM 503 OE1 GLN A 33 -10.005 7.748 -8.386 1.00 0.00 O ATOM 504 NE2 GLN A 33 -9.407 9.698 -7.445 1.00 0.00 N ATOM 0 H GLN A 33 -7.072 7.695 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.808 6.775 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.987 8.919 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.037 7.990 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.469 6.861 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.977 8.456 -5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.289 10.240 -6.589 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.189 10.118 -8.349 1.00 0.00 H new ATOM 513 N LEU A 34 -7.493 5.241 -5.314 1.00 0.00 N ATOM 514 CA LEU A 34 -7.219 3.990 -6.028 1.00 0.00 C ATOM 515 C LEU A 34 -7.173 2.802 -5.062 1.00 0.00 C ATOM 516 O LEU A 34 -7.372 1.654 -5.465 1.00 0.00 O ATOM 517 CB LEU A 34 -5.909 4.098 -6.813 1.00 0.00 C ATOM 518 CG LEU A 34 -4.627 3.999 -5.978 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.202 2.549 -5.814 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.517 4.810 -6.622 1.00 0.00 C ATOM 0 H LEU A 34 -6.698 5.877 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.033 3.817 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.892 3.311 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.902 5.049 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.828 4.408 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.290 2.502 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.993 1.993 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.017 2.111 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.612 4.731 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.320 4.427 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.820 5.855 -6.686 1.00 0.00 H new ATOM 532 N ALA A 35 -6.921 3.091 -3.786 1.00 0.00 N ATOM 533 CA ALA A 35 -6.861 2.058 -2.755 1.00 0.00 C ATOM 534 C ALA A 35 -8.245 1.774 -2.178 1.00 0.00 C ATOM 535 O ALA A 35 -8.465 0.718 -1.588 1.00 0.00 O ATOM 536 CB ALA A 35 -5.898 2.463 -1.650 1.00 0.00 C ATOM 0 H ALA A 35 -6.755 4.036 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.495 1.142 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.866 1.682 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.901 2.603 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.235 3.395 -1.197 1.00 0.00 H new ATOM 542 N ARG A 36 -9.179 2.712 -2.366 1.00 0.00 N ATOM 543 CA ARG A 36 -10.547 2.547 -1.877 1.00 0.00 C ATOM 544 C ARG A 36 -11.178 1.269 -2.441 1.00 0.00 C ATOM 545 O ARG A 36 -12.073 0.686 -1.828 1.00 0.00 O ATOM 546 CB ARG A 36 -11.398 3.762 -2.260 1.00 0.00 C ATOM 547 CG ARG A 36 -12.483 4.089 -1.248 1.00 0.00 C ATOM 548 CD ARG A 36 -12.698 5.589 -1.126 1.00 0.00 C ATOM 549 NE ARG A 36 -13.555 6.111 -2.190 1.00 0.00 N ATOM 550 CZ ARG A 36 -13.631 7.403 -2.520 1.00 0.00 C ATOM 551 NH1 ARG A 36 -12.902 8.309 -1.875 1.00 0.00 N ATOM 552 NH2 ARG A 36 -14.441 7.789 -3.501 1.00 0.00 N ATOM 0 H ARG A 36 -9.010 3.592 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.511 2.465 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.747 4.629 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.861 3.580 -3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.416 3.610 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.210 3.679 -0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.146 5.813 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.734 6.096 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.129 5.449 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.278 8.019 -1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.966 9.294 -2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.003 7.099 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.501 8.775 -3.755 1.00 0.00 H new ATOM 566 N LEU A 37 -10.697 0.837 -3.612 1.00 0.00 N ATOM 567 CA LEU A 37 -11.201 -0.374 -4.255 1.00 0.00 C ATOM 568 C LEU A 37 -10.702 -1.623 -3.529 1.00 0.00 C ATOM 569 O LEU A 37 -11.458 -2.569 -3.311 1.00 0.00 O ATOM 570 CB LEU A 37 -10.756 -0.408 -5.720 1.00 0.00 C ATOM 571 CG LEU A 37 -11.816 0.032 -6.733 1.00 0.00 C ATOM 572 CD1 LEU A 37 -12.074 1.528 -6.621 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.389 -0.335 -8.148 1.00 0.00 C ATOM 0 H LEU A 37 -9.958 1.311 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.290 -0.362 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.881 0.232 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.442 -1.423 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.745 -0.493 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.830 1.822 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.427 1.762 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.150 2.072 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.155 -0.014 -8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.448 0.161 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.258 -1.415 -8.220 1.00 0.00 H new ATOM 585 N ILE A 38 -9.425 -1.610 -3.150 1.00 0.00 N ATOM 586 CA ILE A 38 -8.814 -2.733 -2.441 1.00 0.00 C ATOM 587 C ILE A 38 -9.124 -2.662 -0.943 1.00 0.00 C ATOM 588 O ILE A 38 -9.155 -3.686 -0.257 1.00 0.00 O ATOM 589 CB ILE A 38 -7.284 -2.768 -2.659 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.959 -2.892 -4.152 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.651 -3.918 -1.885 1.00 0.00 C ATOM 592 CD1 ILE A 38 -7.065 -1.586 -4.912 1.00 0.00 C ATOM 0 H ILE A 38 -8.791 -0.830 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.241 -3.649 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.867 -1.833 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.948 -3.285 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.635 -3.619 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.574 -3.922 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.850 -3.794 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.075 -4.863 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.821 -1.754 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.082 -1.201 -4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.369 -0.861 -4.489 1.00 0.00 H new ATOM 604 N ARG A 39 -9.372 -1.448 -0.447 1.00 0.00 N ATOM 605 CA ARG A 39 -9.701 -1.236 0.957 1.00 0.00 C ATOM 606 C ARG A 39 -11.113 -1.735 1.247 1.00 0.00 C ATOM 607 O ARG A 39 -11.417 -2.153 2.364 1.00 0.00 O ATOM 608 CB ARG A 39 -9.593 0.252 1.303 1.00 0.00 C ATOM 609 CG ARG A 39 -9.806 0.556 2.778 1.00 0.00 C ATOM 610 CD ARG A 39 -11.264 0.868 3.084 1.00 0.00 C ATOM 611 NE ARG A 39 -11.697 0.268 4.345 1.00 0.00 N ATOM 612 CZ ARG A 39 -11.351 0.726 5.552 1.00 0.00 C ATOM 613 NH1 ARG A 39 -10.574 1.801 5.670 1.00 0.00 N ATOM 614 NH2 ARG A 39 -11.786 0.108 6.646 1.00 0.00 N ATOM 0 H ARG A 39 -9.350 -0.594 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.995 -1.796 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.609 0.614 1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.327 0.806 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.483 -0.297 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.184 1.403 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.402 1.948 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.892 0.500 2.272 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.302 -0.552 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.238 2.282 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.315 2.144 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.383 -0.715 6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.523 0.457 7.568 1.00 0.00 H new ATOM 628 N ALA A 40 -11.968 -1.696 0.223 1.00 0.00 N ATOM 629 CA ALA A 40 -13.344 -2.149 0.352 1.00 0.00 C ATOM 630 C ALA A 40 -13.484 -3.619 -0.051 1.00 0.00 C ATOM 631 O ALA A 40 -14.519 -4.239 0.189 1.00 0.00 O ATOM 632 CB ALA A 40 -14.271 -1.277 -0.484 1.00 0.00 C ATOM 0 H ALA A 40 -11.725 -1.353 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.630 -2.060 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.297 -1.629 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.204 -0.244 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.976 -1.333 -1.532 1.00 0.00 H new ATOM 638 N ASN A 41 -12.430 -4.169 -0.665 1.00 0.00 N ATOM 639 CA ASN A 41 -12.425 -5.563 -1.099 1.00 0.00 C ATOM 640 C ASN A 41 -12.506 -6.520 0.092 1.00 0.00 C ATOM 641 O ASN A 41 -13.024 -7.631 -0.029 1.00 0.00 O ATOM 642 CB ASN A 41 -11.149 -5.851 -1.894 1.00 0.00 C ATOM 643 CG ASN A 41 -11.360 -6.884 -2.982 1.00 0.00 C ATOM 644 OD1 ASN A 41 -11.355 -8.085 -2.719 1.00 0.00 O ATOM 645 ND2 ASN A 41 -11.549 -6.423 -4.213 1.00 0.00 N ATOM 0 H ASN A 41 -11.568 -3.664 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.302 -5.722 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.788 -4.925 -2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.372 -6.199 -1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.698 -7.074 -4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.546 -5.418 -4.387 1.00 0.00 H new ATOM 652 N GLY A 42 -11.988 -6.081 1.237 1.00 0.00 N ATOM 653 CA GLY A 42 -12.003 -6.909 2.429 1.00 0.00 C ATOM 654 C GLY A 42 -10.906 -6.532 3.408 1.00 0.00 C ATOM 655 O GLY A 42 -11.072 -6.685 4.619 1.00 0.00 O ATOM 0 H GLY A 42 -11.558 -5.164 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.972 -6.817 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.888 -7.955 2.143 1.00 0.00 H new ATOM 659 N GLY A 43 -9.782 -6.035 2.881 1.00 0.00 N ATOM 660 CA GLY A 43 -8.675 -5.639 3.731 1.00 0.00 C ATOM 661 C GLY A 43 -8.937 -4.326 4.443 1.00 0.00 C ATOM 662 O GLY A 43 -10.086 -3.992 4.740 1.00 0.00 O ATOM 0 H GLY A 43 -9.624 -5.902 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.489 -6.419 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.771 -5.549 3.128 1.00 0.00 H new ATOM 666 N GLU A 44 -7.873 -3.577 4.718 1.00 0.00 N ATOM 667 CA GLU A 44 -7.997 -2.295 5.401 1.00 0.00 C ATOM 668 C GLU A 44 -6.728 -1.466 5.238 1.00 0.00 C ATOM 669 O GLU A 44 -5.645 -1.903 5.615 1.00 0.00 O ATOM 670 CB GLU A 44 -8.290 -2.518 6.888 1.00 0.00 C ATOM 671 CG GLU A 44 -8.377 -1.231 7.695 1.00 0.00 C ATOM 672 CD GLU A 44 -9.156 -1.397 8.986 1.00 0.00 C ATOM 673 OE1 GLU A 44 -8.948 -2.410 9.686 1.00 0.00 O ATOM 674 OE2 GLU A 44 -9.978 -0.509 9.299 1.00 0.00 O ATOM 0 H GLU A 44 -6.916 -3.836 4.478 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.824 -1.747 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.229 -3.062 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.510 -3.150 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.370 -0.884 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.849 -0.458 7.088 1.00 0.00 H new ATOM 681 N VAL A 45 -6.875 -0.267 4.676 1.00 0.00 N ATOM 682 CA VAL A 45 -5.740 0.631 4.466 1.00 0.00 C ATOM 683 C VAL A 45 -6.068 2.048 4.932 1.00 0.00 C ATOM 684 O VAL A 45 -7.194 2.520 4.768 1.00 0.00 O ATOM 685 CB VAL A 45 -5.312 0.666 2.983 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.414 1.256 2.115 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.018 1.449 2.817 1.00 0.00 C ATOM 0 H VAL A 45 -7.770 0.105 4.358 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.913 0.241 5.059 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.136 -0.359 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.089 1.270 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.314 0.648 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.629 2.273 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.733 1.462 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.164 2.471 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.229 0.975 3.401 1.00 0.00 H new ATOM 697 N LEU A 46 -5.073 2.722 5.507 1.00 0.00 N ATOM 698 CA LEU A 46 -5.245 4.086 5.993 1.00 0.00 C ATOM 699 C LEU A 46 -4.166 4.993 5.413 1.00 0.00 C ATOM 700 O LEU A 46 -3.039 5.011 5.899 1.00 0.00 O ATOM 701 CB LEU A 46 -5.194 4.122 7.525 1.00 0.00 C ATOM 702 CG LEU A 46 -5.918 2.972 8.230 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.369 2.776 9.636 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.418 3.232 8.271 1.00 0.00 C ATOM 0 H LEU A 46 -4.137 2.342 5.647 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.221 4.446 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.150 4.118 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.625 5.064 7.865 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.743 2.057 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.896 1.954 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.305 2.543 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.512 3.690 10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.917 2.405 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.612 4.158 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.800 3.320 7.254 1.00 0.00 H new ATOM 716 N ASP A 47 -4.524 5.730 4.365 1.00 0.00 N ATOM 717 CA ASP A 47 -3.591 6.632 3.694 1.00 0.00 C ATOM 718 C ASP A 47 -3.218 7.812 4.594 1.00 0.00 C ATOM 719 O ASP A 47 -4.051 8.672 4.883 1.00 0.00 O ATOM 720 CB ASP A 47 -4.196 7.138 2.377 1.00 0.00 C ATOM 721 CG ASP A 47 -4.825 6.024 1.558 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.924 5.558 1.928 1.00 0.00 O ATOM 723 OD2 ASP A 47 -4.212 5.605 0.557 1.00 0.00 O ATOM 0 H ASP A 47 -5.460 5.720 3.960 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.680 6.074 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.950 7.894 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.419 7.623 1.787 1.00 0.00 H new ATOM 728 N SER A 48 -1.962 7.835 5.040 1.00 0.00 N ATOM 729 CA SER A 48 -1.475 8.898 5.915 1.00 0.00 C ATOM 730 C SER A 48 -0.465 9.789 5.194 1.00 0.00 C ATOM 731 O SER A 48 0.541 9.306 4.675 1.00 0.00 O ATOM 732 CB SER A 48 -0.832 8.296 7.165 1.00 0.00 C ATOM 733 OG SER A 48 -0.602 9.287 8.153 1.00 0.00 O ATOM 0 H SER A 48 -1.264 7.128 4.809 1.00 0.00 H new ATOM 0 HA SER A 48 -2.328 9.512 6.204 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.479 7.518 7.571 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.111 7.819 6.898 1.00 0.00 H new ATOM 0 HG SER A 48 -0.192 8.874 8.941 1.00 0.00 H new ATOM 739 N LYS A 49 -0.738 11.094 5.184 1.00 0.00 N ATOM 740 CA LYS A 49 0.145 12.068 4.542 1.00 0.00 C ATOM 741 C LYS A 49 1.518 12.083 5.215 1.00 0.00 C ATOM 742 O LYS A 49 1.639 11.724 6.388 1.00 0.00 O ATOM 743 CB LYS A 49 -0.477 13.469 4.599 1.00 0.00 C ATOM 744 CG LYS A 49 -0.608 14.136 3.238 1.00 0.00 C ATOM 745 CD LYS A 49 -2.061 14.237 2.801 1.00 0.00 C ATOM 746 CE LYS A 49 -2.229 15.209 1.640 1.00 0.00 C ATOM 747 NZ LYS A 49 -2.167 16.633 2.082 1.00 0.00 N ATOM 0 H LYS A 49 -1.567 11.502 5.615 1.00 0.00 H new ATOM 0 HA LYS A 49 0.271 11.775 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.464 13.400 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.131 14.101 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.169 15.133 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.044 13.568 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.423 13.252 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.673 14.564 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.450 15.026 0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.185 15.024 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.337 17.257 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.894 16.804 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.227 16.832 2.481 1.00 0.00 H new ATOM 761 N PRO A 50 2.575 12.490 4.472 1.00 0.00 N ATOM 762 CA PRO A 50 3.949 12.547 4.988 1.00 0.00 C ATOM 763 C PRO A 50 4.026 13.050 6.431 1.00 0.00 C ATOM 764 O PRO A 50 3.972 14.256 6.685 1.00 0.00 O ATOM 765 CB PRO A 50 4.623 13.529 4.034 1.00 0.00 C ATOM 766 CG PRO A 50 3.932 13.314 2.732 1.00 0.00 C ATOM 767 CD PRO A 50 2.510 12.929 3.060 1.00 0.00 C ATOM 0 HA PRO A 50 4.416 11.563 5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.511 14.557 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.692 13.334 3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.959 14.219 2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.424 12.529 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.829 13.771 2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.152 12.131 2.410 1.00 0.00 H new ATOM 775 N ARG A 51 4.144 12.113 7.368 1.00 0.00 N ATOM 776 CA ARG A 51 4.220 12.440 8.786 1.00 0.00 C ATOM 777 C ARG A 51 4.964 11.351 9.548 1.00 0.00 C ATOM 778 O ARG A 51 4.639 10.168 9.427 1.00 0.00 O ATOM 779 CB ARG A 51 2.812 12.607 9.367 1.00 0.00 C ATOM 780 CG ARG A 51 2.732 13.601 10.514 1.00 0.00 C ATOM 781 CD ARG A 51 1.599 14.595 10.313 1.00 0.00 C ATOM 782 NE ARG A 51 1.453 15.498 11.455 1.00 0.00 N ATOM 783 CZ ARG A 51 2.270 16.525 11.707 1.00 0.00 C ATOM 784 NH1 ARG A 51 3.297 16.784 10.900 1.00 0.00 N ATOM 785 NH2 ARG A 51 2.058 17.296 12.770 1.00 0.00 N ATOM 0 H ARG A 51 4.189 11.114 7.167 1.00 0.00 H new ATOM 0 HA ARG A 51 4.765 13.378 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.138 12.929 8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.456 11.637 9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.585 13.065 11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.677 14.137 10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.784 15.178 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.666 14.054 10.157 1.00 0.00 H new ATOM 0 HE ARG A 51 0.679 15.333 12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.464 16.197 10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.916 17.570 11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.273 17.103 13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.681 18.080 12.964 1.00 0.00 H new ATOM 799 N GLU A 52 5.962 11.753 10.333 1.00 0.00 N ATOM 800 CA GLU A 52 6.745 10.800 11.110 1.00 0.00 C ATOM 801 C GLU A 52 6.110 10.575 12.478 1.00 0.00 C ATOM 802 O GLU A 52 5.918 11.517 13.249 1.00 0.00 O ATOM 803 CB GLU A 52 8.182 11.299 11.282 1.00 0.00 C ATOM 804 CG GLU A 52 9.023 11.182 10.020 1.00 0.00 C ATOM 805 CD GLU A 52 10.226 12.107 10.027 1.00 0.00 C ATOM 806 OE1 GLU A 52 11.289 11.689 10.530 1.00 0.00 O ATOM 807 OE2 GLU A 52 10.101 13.249 9.537 1.00 0.00 O ATOM 0 H GLU A 52 6.245 12.726 10.446 1.00 0.00 H new ATOM 0 HA GLU A 52 6.762 9.854 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.160 12.342 11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.661 10.733 12.081 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.363 10.152 9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.402 11.407 9.153 1.00 0.00 H new ATOM 814 N SER A 53 5.797 9.317 12.776 1.00 0.00 N ATOM 815 CA SER A 53 5.192 8.959 14.051 1.00 0.00 C ATOM 816 C SER A 53 6.098 8.006 14.823 1.00 0.00 C ATOM 817 O SER A 53 6.327 6.876 14.387 1.00 0.00 O ATOM 818 CB SER A 53 3.824 8.322 13.822 1.00 0.00 C ATOM 819 OG SER A 53 3.036 8.365 14.998 1.00 0.00 O ATOM 0 H SER A 53 5.954 8.528 12.149 1.00 0.00 H new ATOM 0 HA SER A 53 5.063 9.866 14.642 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.308 8.843 13.016 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.950 7.287 13.503 1.00 0.00 H new ATOM 0 HG SER A 53 2.165 7.952 14.823 1.00 0.00 H new ATOM 825 N LYS A 54 6.611 8.478 15.967 1.00 0.00 N ATOM 826 CA LYS A 54 7.503 7.683 16.824 1.00 0.00 C ATOM 827 C LYS A 54 8.614 7.004 16.017 1.00 0.00 C ATOM 828 O LYS A 54 9.096 5.935 16.402 1.00 0.00 O ATOM 829 CB LYS A 54 6.698 6.627 17.597 1.00 0.00 C ATOM 830 CG LYS A 54 6.094 5.538 16.718 1.00 0.00 C ATOM 831 CD LYS A 54 5.798 4.279 17.514 1.00 0.00 C ATOM 832 CE LYS A 54 5.008 3.273 16.691 1.00 0.00 C ATOM 833 NZ LYS A 54 5.357 1.866 17.041 1.00 0.00 N ATOM 0 H LYS A 54 6.422 9.415 16.323 1.00 0.00 H new ATOM 0 HA LYS A 54 7.974 8.368 17.529 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.347 6.162 18.339 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.896 7.125 18.143 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.175 5.906 16.262 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.781 5.302 15.905 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.734 3.827 17.843 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.236 4.538 18.411 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.942 3.432 16.851 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.200 3.441 15.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.820 1.411 16.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.003 1.861 17.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.491 1.343 17.283 1.00 0.00 H new ATOM 847 N GLU A 55 9.006 7.622 14.894 1.00 0.00 N ATOM 848 CA GLU A 55 10.045 7.075 14.017 1.00 0.00 C ATOM 849 C GLU A 55 9.866 5.564 13.807 1.00 0.00 C ATOM 850 O GLU A 55 10.841 4.834 13.610 1.00 0.00 O ATOM 851 CB GLU A 55 11.443 7.383 14.577 1.00 0.00 C ATOM 852 CG GLU A 55 11.754 6.694 15.902 1.00 0.00 C ATOM 853 CD GLU A 55 13.245 6.581 16.180 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.009 7.455 15.717 1.00 0.00 O ATOM 855 OE2 GLU A 55 13.647 5.616 16.866 1.00 0.00 O ATOM 0 H GLU A 55 8.615 8.507 14.572 1.00 0.00 H new ATOM 0 HA GLU A 55 9.946 7.558 13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.190 7.085 13.842 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.539 8.461 14.710 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.280 7.248 16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.315 5.697 15.898 1.00 0.00 H new ATOM 862 N ASN A 56 8.613 5.101 13.857 1.00 0.00 N ATOM 863 CA ASN A 56 8.306 3.687 13.683 1.00 0.00 C ATOM 864 C ASN A 56 7.025 3.504 12.870 1.00 0.00 C ATOM 865 O ASN A 56 6.064 2.879 13.324 1.00 0.00 O ATOM 866 CB ASN A 56 8.173 3.012 15.054 1.00 0.00 C ATOM 867 CG ASN A 56 8.885 1.675 15.116 1.00 0.00 C ATOM 868 OD1 ASN A 56 8.259 0.636 15.322 1.00 0.00 O ATOM 869 ND2 ASN A 56 10.203 1.695 14.940 1.00 0.00 N ATOM 0 H ASN A 56 7.796 5.691 14.017 1.00 0.00 H new ATOM 0 HA ASN A 56 9.122 3.218 13.133 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.579 3.672 15.821 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.117 2.868 15.283 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.735 0.825 14.973 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.682 2.580 14.772 1.00 0.00 H new ATOM 876 N VAL A 57 7.025 4.055 11.660 1.00 0.00 N ATOM 877 CA VAL A 57 5.876 3.961 10.765 1.00 0.00 C ATOM 878 C VAL A 57 6.322 3.527 9.375 1.00 0.00 C ATOM 879 O VAL A 57 7.359 3.976 8.881 1.00 0.00 O ATOM 880 CB VAL A 57 5.111 5.300 10.664 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.216 5.491 11.878 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.075 6.471 10.516 1.00 0.00 C ATOM 0 H VAL A 57 7.814 4.575 11.275 1.00 0.00 H new ATOM 0 HA VAL A 57 5.201 3.216 11.186 1.00 0.00 H new ATOM 0 HB VAL A 57 4.485 5.268 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.684 6.438 11.792 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.496 4.674 11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.825 5.498 12.782 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.510 7.401 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.735 6.511 11.383 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.670 6.340 9.612 1.00 0.00 H new ATOM 892 N PHE A 58 5.543 2.646 8.750 1.00 0.00 N ATOM 893 CA PHE A 58 5.870 2.148 7.416 1.00 0.00 C ATOM 894 C PHE A 58 4.604 1.794 6.640 1.00 0.00 C ATOM 895 O PHE A 58 3.508 1.763 7.202 1.00 0.00 O ATOM 896 CB PHE A 58 6.786 0.920 7.507 1.00 0.00 C ATOM 897 CG PHE A 58 7.750 0.956 8.662 1.00 0.00 C ATOM 898 CD1 PHE A 58 7.358 0.536 9.925 1.00 0.00 C ATOM 899 CD2 PHE A 58 9.047 1.416 8.486 1.00 0.00 C ATOM 900 CE1 PHE A 58 8.240 0.574 10.988 1.00 0.00 C ATOM 901 CE2 PHE A 58 9.932 1.454 9.547 1.00 0.00 C ATOM 902 CZ PHE A 58 9.528 1.033 10.799 1.00 0.00 C ATOM 0 H PHE A 58 4.684 2.264 9.145 1.00 0.00 H new ATOM 0 HA PHE A 58 6.394 2.942 6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.169 0.025 7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.351 0.832 6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.352 0.175 10.079 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.368 1.748 7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.922 0.245 11.966 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.940 1.813 9.397 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.219 1.063 11.629 1.00 0.00 H new ATOM 912 N ILE A 59 4.762 1.535 5.343 1.00 0.00 N ATOM 913 CA ILE A 59 3.636 1.187 4.483 1.00 0.00 C ATOM 914 C ILE A 59 3.698 -0.282 4.047 1.00 0.00 C ATOM 915 O ILE A 59 4.654 -0.706 3.396 1.00 0.00 O ATOM 916 CB ILE A 59 3.580 2.107 3.237 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.385 1.750 2.346 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.876 2.025 2.444 1.00 0.00 C ATOM 919 CD1 ILE A 59 2.112 2.773 1.264 1.00 0.00 C ATOM 0 H ILE A 59 5.663 1.560 4.865 1.00 0.00 H new ATOM 0 HA ILE A 59 2.727 1.334 5.067 1.00 0.00 H new ATOM 0 HB ILE A 59 3.454 3.132 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.565 0.781 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.496 1.645 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.813 2.679 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.708 2.338 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.037 0.998 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.253 2.456 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.900 3.739 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.986 2.861 0.618 1.00 0.00 H new ATOM 931 N VAL A 60 2.665 -1.047 4.406 1.00 0.00 N ATOM 932 CA VAL A 60 2.588 -2.461 4.046 1.00 0.00 C ATOM 933 C VAL A 60 1.609 -2.660 2.888 1.00 0.00 C ATOM 934 O VAL A 60 0.592 -1.967 2.793 1.00 0.00 O ATOM 935 CB VAL A 60 2.173 -3.353 5.252 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.683 -2.769 6.563 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.662 -3.553 5.312 1.00 0.00 C ATOM 0 H VAL A 60 1.869 -0.708 4.947 1.00 0.00 H new ATOM 0 HA VAL A 60 3.587 -2.770 3.737 1.00 0.00 H new ATOM 0 HB VAL A 60 2.633 -4.330 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.380 -3.411 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.771 -2.705 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.264 -1.773 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.412 -4.181 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.171 -2.586 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.322 -4.036 4.396 1.00 0.00 H new ATOM 947 N SER A 61 1.927 -3.602 2.002 1.00 0.00 N ATOM 948 CA SER A 61 1.082 -3.885 0.844 1.00 0.00 C ATOM 949 C SER A 61 0.109 -5.025 1.132 1.00 0.00 C ATOM 950 O SER A 61 0.311 -5.809 2.062 1.00 0.00 O ATOM 951 CB SER A 61 1.943 -4.226 -0.377 1.00 0.00 C ATOM 952 OG SER A 61 3.098 -4.959 -0.004 1.00 0.00 O ATOM 0 H SER A 61 2.764 -4.182 2.064 1.00 0.00 H new ATOM 0 HA SER A 61 0.501 -2.988 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.355 -4.806 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.240 -3.308 -0.883 1.00 0.00 H new ATOM 0 HG SER A 61 3.487 -5.382 -0.798 1.00 0.00 H new ATOM 958 N PRO A 62 -0.964 -5.134 0.323 1.00 0.00 N ATOM 959 CA PRO A 62 -1.974 -6.187 0.483 1.00 0.00 C ATOM 960 C PRO A 62 -1.388 -7.581 0.275 1.00 0.00 C ATOM 961 O PRO A 62 -0.652 -7.814 -0.688 1.00 0.00 O ATOM 962 CB PRO A 62 -3.010 -5.870 -0.602 1.00 0.00 C ATOM 963 CG PRO A 62 -2.287 -5.029 -1.596 1.00 0.00 C ATOM 964 CD PRO A 62 -1.271 -4.246 -0.814 1.00 0.00 C ATOM 0 HA PRO A 62 -2.393 -6.198 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.392 -6.782 -1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.867 -5.340 -0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.805 -5.647 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.975 -4.364 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.383 -4.032 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.670 -3.288 -0.481 1.00 0.00 H new ATOM 972 N TYR A 63 -1.711 -8.498 1.192 1.00 0.00 N ATOM 973 CA TYR A 63 -1.218 -9.876 1.129 1.00 0.00 C ATOM 974 C TYR A 63 0.270 -9.965 1.498 1.00 0.00 C ATOM 975 O TYR A 63 0.881 -11.030 1.374 1.00 0.00 O ATOM 976 CB TYR A 63 -1.445 -10.456 -0.268 1.00 0.00 C ATOM 977 CG TYR A 63 -2.338 -11.677 -0.289 1.00 0.00 C ATOM 978 CD1 TYR A 63 -1.908 -12.885 0.246 1.00 0.00 C ATOM 979 CD2 TYR A 63 -3.610 -11.622 -0.848 1.00 0.00 C ATOM 980 CE1 TYR A 63 -2.721 -14.002 0.225 1.00 0.00 C ATOM 981 CE2 TYR A 63 -4.426 -12.735 -0.871 1.00 0.00 C ATOM 982 CZ TYR A 63 -3.978 -13.922 -0.333 1.00 0.00 C ATOM 983 OH TYR A 63 -4.788 -15.034 -0.357 1.00 0.00 O ATOM 0 H TYR A 63 -2.316 -8.308 1.991 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.779 -10.459 1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.884 -9.686 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.480 -10.716 -0.703 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.923 -12.952 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.965 -10.694 -1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.372 -14.934 0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.412 -12.676 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.641 -14.808 -0.784 1.00 0.00 H new ATOM 993 N ASN A 64 0.850 -8.851 1.952 1.00 0.00 N ATOM 994 CA ASN A 64 2.257 -8.820 2.334 1.00 0.00 C ATOM 995 C ASN A 64 2.415 -9.028 3.837 1.00 0.00 C ATOM 996 O ASN A 64 1.993 -8.189 4.638 1.00 0.00 O ATOM 997 CB ASN A 64 2.892 -7.490 1.916 1.00 0.00 C ATOM 998 CG ASN A 64 4.183 -7.681 1.144 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.267 -7.379 1.641 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.075 -8.183 -0.083 1.00 0.00 N ATOM 0 H ASN A 64 0.364 -7.961 2.063 1.00 0.00 H new ATOM 0 HA ASN A 64 2.768 -9.633 1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.185 -6.930 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.089 -6.890 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.911 -8.331 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.157 -8.420 -0.458 1.00 0.00 H new ATOM 1007 N HIS A 65 3.031 -10.149 4.213 1.00 0.00 N ATOM 1008 CA HIS A 65 3.252 -10.471 5.624 1.00 0.00 C ATOM 1009 C HIS A 65 4.411 -9.654 6.189 1.00 0.00 C ATOM 1010 O HIS A 65 5.147 -9.010 5.439 1.00 0.00 O ATOM 1011 CB HIS A 65 3.542 -11.966 5.801 1.00 0.00 C ATOM 1012 CG HIS A 65 2.608 -12.860 5.045 1.00 0.00 C ATOM 1013 ND1 HIS A 65 1.242 -12.863 5.239 1.00 0.00 N ATOM 1014 CD2 HIS A 65 2.851 -13.781 4.082 1.00 0.00 C ATOM 1015 CE1 HIS A 65 0.686 -13.751 4.433 1.00 0.00 C ATOM 1016 NE2 HIS A 65 1.641 -14.319 3.721 1.00 0.00 N ATOM 0 H HIS A 65 3.386 -10.849 3.561 1.00 0.00 H new ATOM 0 HA HIS A 65 2.342 -10.220 6.169 1.00 0.00 H new ATOM 0 HB2 HIS A 65 4.563 -12.168 5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.487 -12.213 6.861 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.816 -14.043 3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.369 -13.974 4.368 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.502 -15.042 3.015 1.00 0.00 H new ATOM 1025 N THR A 66 4.567 -9.688 7.516 1.00 0.00 N ATOM 1026 CA THR A 66 5.635 -8.954 8.196 1.00 0.00 C ATOM 1027 C THR A 66 5.411 -7.447 8.082 1.00 0.00 C ATOM 1028 O THR A 66 5.544 -6.867 7.001 1.00 0.00 O ATOM 1029 CB THR A 66 7.006 -9.333 7.622 1.00 0.00 C ATOM 1030 OG1 THR A 66 7.086 -10.728 7.381 1.00 0.00 O ATOM 1031 CG2 THR A 66 8.159 -8.958 8.531 1.00 0.00 C ATOM 0 H THR A 66 3.963 -10.220 8.142 1.00 0.00 H new ATOM 0 HA THR A 66 5.615 -9.228 9.251 1.00 0.00 H new ATOM 0 HB THR A 66 7.094 -8.768 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.968 -10.946 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.100 -9.253 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.158 -7.880 8.695 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.050 -9.470 9.487 1.00 0.00 H new ATOM 1039 N ASN A 67 5.068 -6.819 9.204 1.00 0.00 N ATOM 1040 CA ASN A 67 4.819 -5.378 9.234 1.00 0.00 C ATOM 1041 C ASN A 67 6.074 -4.596 9.634 1.00 0.00 C ATOM 1042 O ASN A 67 5.988 -3.427 10.015 1.00 0.00 O ATOM 1043 CB ASN A 67 3.668 -5.061 10.193 1.00 0.00 C ATOM 1044 CG ASN A 67 2.336 -5.563 9.672 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.485 -4.777 9.254 1.00 0.00 O ATOM 1046 ND2 ASN A 67 2.146 -6.878 9.695 1.00 0.00 N ATOM 0 H ASN A 67 4.956 -7.284 10.105 1.00 0.00 H new ATOM 0 HA ASN A 67 4.543 -5.067 8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.871 -5.513 11.164 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.613 -3.984 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.268 -7.272 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.878 -7.493 10.050 1.00 0.00 H new ATOM 1053 N LEU A 68 7.237 -5.242 9.537 1.00 0.00 N ATOM 1054 CA LEU A 68 8.503 -4.603 9.879 1.00 0.00 C ATOM 1055 C LEU A 68 9.074 -3.837 8.680 1.00 0.00 C ATOM 1056 O LEU A 68 9.413 -2.659 8.801 1.00 0.00 O ATOM 1057 CB LEU A 68 9.513 -5.644 10.373 1.00 0.00 C ATOM 1058 CG LEU A 68 10.389 -5.189 11.543 1.00 0.00 C ATOM 1059 CD1 LEU A 68 9.737 -5.548 12.872 1.00 0.00 C ATOM 1060 CD2 LEU A 68 11.776 -5.807 11.444 1.00 0.00 C ATOM 0 H LEU A 68 7.326 -6.209 9.224 1.00 0.00 H new ATOM 0 HA LEU A 68 8.314 -3.889 10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.971 -6.541 10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.160 -5.924 9.542 1.00 0.00 H new ATOM 0 HG LEU A 68 10.492 -4.105 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.375 -5.216 13.691 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.767 -5.057 12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.602 -6.628 12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.384 -5.472 12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.693 -6.894 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.246 -5.499 10.510 1.00 0.00 H new ATOM 1072 N PRO A 69 9.189 -4.495 7.503 1.00 0.00 N ATOM 1073 CA PRO A 69 9.722 -3.868 6.286 1.00 0.00 C ATOM 1074 C PRO A 69 8.769 -2.823 5.701 1.00 0.00 C ATOM 1075 O PRO A 69 7.864 -2.338 6.383 1.00 0.00 O ATOM 1076 CB PRO A 69 9.893 -5.043 5.306 1.00 0.00 C ATOM 1077 CG PRO A 69 9.705 -6.281 6.117 1.00 0.00 C ATOM 1078 CD PRO A 69 8.816 -5.896 7.259 1.00 0.00 C ATOM 0 HA PRO A 69 10.649 -3.331 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.161 -4.989 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.880 -5.025 4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.253 -7.073 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.661 -6.660 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.761 -5.995 7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.990 -6.520 8.136 1.00 0.00 H new ATOM 1086 N THR A 70 8.983 -2.474 4.432 1.00 0.00 N ATOM 1087 CA THR A 70 8.154 -1.482 3.750 1.00 0.00 C ATOM 1088 C THR A 70 8.021 -1.821 2.267 1.00 0.00 C ATOM 1089 O THR A 70 8.824 -2.578 1.731 1.00 0.00 O ATOM 1090 CB THR A 70 8.759 -0.081 3.916 1.00 0.00 C ATOM 1091 OG1 THR A 70 9.362 0.070 5.192 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.748 1.032 3.757 1.00 0.00 C ATOM 0 H THR A 70 9.727 -2.866 3.854 1.00 0.00 H new ATOM 0 HA THR A 70 7.161 -1.496 4.200 1.00 0.00 H new ATOM 0 HB THR A 70 9.499 0.000 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.740 0.971 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.243 1.994 3.887 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.306 0.982 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.965 0.923 4.508 1.00 0.00 H new ATOM 1100 N VAL A 71 7.009 -1.263 1.609 1.00 0.00 N ATOM 1101 CA VAL A 71 6.790 -1.514 0.185 1.00 0.00 C ATOM 1102 C VAL A 71 6.325 -0.255 -0.541 1.00 0.00 C ATOM 1103 O VAL A 71 5.933 0.728 0.087 1.00 0.00 O ATOM 1104 CB VAL A 71 5.757 -2.635 -0.046 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.267 -3.962 0.495 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.419 -2.273 0.583 1.00 0.00 C ATOM 0 H VAL A 71 6.328 -0.635 2.036 1.00 0.00 H new ATOM 0 HA VAL A 71 7.752 -1.828 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 71 5.609 -2.743 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.521 -4.737 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.194 -4.230 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.452 -3.871 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.705 -3.078 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.548 -2.129 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.044 -1.352 0.136 1.00 0.00 H new ATOM 1116 N THR A 72 6.367 -0.294 -1.872 1.00 0.00 N ATOM 1117 CA THR A 72 5.944 0.845 -2.688 1.00 0.00 C ATOM 1118 C THR A 72 4.416 0.955 -2.736 1.00 0.00 C ATOM 1119 O THR A 72 3.707 -0.042 -2.583 1.00 0.00 O ATOM 1120 CB THR A 72 6.504 0.726 -4.112 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.110 -0.501 -4.712 1.00 0.00 O ATOM 1122 CG2 THR A 72 8.016 0.807 -4.169 1.00 0.00 C ATOM 0 H THR A 72 6.689 -1.100 -2.408 1.00 0.00 H new ATOM 0 HA THR A 72 6.340 1.749 -2.225 1.00 0.00 H new ATOM 0 HB THR A 72 6.091 1.576 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.477 -0.554 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.346 0.716 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.344 1.765 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.446 -0.002 -3.578 1.00 0.00 H new ATOM 1130 N PRO A 73 3.889 2.177 -2.961 1.00 0.00 N ATOM 1131 CA PRO A 73 2.442 2.423 -3.040 1.00 0.00 C ATOM 1132 C PRO A 73 1.848 1.955 -4.365 1.00 0.00 C ATOM 1133 O PRO A 73 0.699 1.512 -4.421 1.00 0.00 O ATOM 1134 CB PRO A 73 2.346 3.940 -2.928 1.00 0.00 C ATOM 1135 CG PRO A 73 3.613 4.432 -3.534 1.00 0.00 C ATOM 1136 CD PRO A 73 4.664 3.419 -3.168 1.00 0.00 C ATOM 0 HA PRO A 73 1.890 1.882 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.475 4.324 -3.459 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.252 4.257 -1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.519 4.524 -4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.872 5.419 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.403 3.303 -3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.205 3.709 -2.267 1.00 0.00 H new ATOM 1144 N THR A 74 2.649 2.059 -5.428 1.00 0.00 N ATOM 1145 CA THR A 74 2.228 1.650 -6.771 1.00 0.00 C ATOM 1146 C THR A 74 1.765 0.188 -6.797 1.00 0.00 C ATOM 1147 O THR A 74 1.082 -0.226 -7.735 1.00 0.00 O ATOM 1148 CB THR A 74 3.368 1.852 -7.777 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.288 2.829 -7.313 1.00 0.00 O ATOM 1150 CG2 THR A 74 2.888 2.286 -9.148 1.00 0.00 C ATOM 0 H THR A 74 3.600 2.426 -5.384 1.00 0.00 H new ATOM 0 HA THR A 74 1.383 2.279 -7.053 1.00 0.00 H new ATOM 0 HB THR A 74 3.845 0.876 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.024 3.712 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.744 2.411 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.220 1.527 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.354 3.232 -9.064 1.00 0.00 H new ATOM 1158 N TYR A 75 2.134 -0.584 -5.765 1.00 0.00 N ATOM 1159 CA TYR A 75 1.747 -1.995 -5.664 1.00 0.00 C ATOM 1160 C TYR A 75 0.279 -2.194 -6.045 1.00 0.00 C ATOM 1161 O TYR A 75 -0.056 -3.128 -6.772 1.00 0.00 O ATOM 1162 CB TYR A 75 1.985 -2.503 -4.238 1.00 0.00 C ATOM 1163 CG TYR A 75 2.168 -4.003 -4.135 1.00 0.00 C ATOM 1164 CD1 TYR A 75 1.170 -4.879 -4.549 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.339 -4.545 -3.617 1.00 0.00 C ATOM 1166 CE1 TYR A 75 1.335 -6.246 -4.451 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.510 -5.912 -3.516 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.505 -6.759 -3.933 1.00 0.00 C ATOM 1169 OH TYR A 75 2.674 -8.121 -3.834 1.00 0.00 O ATOM 0 H TYR A 75 2.702 -0.251 -4.986 1.00 0.00 H new ATOM 0 HA TYR A 75 2.362 -2.564 -6.361 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.869 -2.012 -3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.142 -2.208 -3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.250 -4.483 -4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.129 -3.886 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.550 -6.911 -4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.427 -6.316 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 75 2.170 -8.566 -4.547 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.591 -1.309 -5.554 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.022 -1.392 -5.850 1.00 0.00 C ATOM 1181 C ILE A 76 -2.285 -1.248 -7.348 1.00 0.00 C ATOM 1182 O ILE A 76 -3.027 -2.038 -7.928 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.831 -0.317 -5.093 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.592 -0.420 -3.585 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.314 -0.456 -5.408 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.206 -1.650 -2.952 1.00 0.00 C ATOM 0 H ILE A 76 -0.330 -0.529 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.349 -2.376 -5.515 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.493 0.665 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.519 -0.423 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.998 0.468 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.874 0.308 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.472 -0.332 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.660 -1.443 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.994 -1.653 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.285 -1.640 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.782 -2.544 -3.408 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.668 -0.242 -7.971 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.831 -0.009 -9.407 1.00 0.00 C ATOM 1200 C LYS A 77 -1.463 -1.261 -10.208 1.00 0.00 C ATOM 1201 O LYS A 77 -2.043 -1.521 -11.262 1.00 0.00 O ATOM 1202 CB LYS A 77 -0.973 1.175 -9.861 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.773 2.440 -10.131 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.066 3.353 -11.120 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.958 4.509 -11.549 1.00 0.00 C ATOM 1206 NZ LYS A 77 -1.188 5.772 -11.745 1.00 0.00 N ATOM 0 H LYS A 77 -1.052 0.423 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.879 0.225 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.225 1.385 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.434 0.896 -10.766 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.755 2.173 -10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.936 2.974 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.154 3.744 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.766 2.779 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.467 4.248 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.730 4.669 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.836 6.532 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.723 6.037 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.468 5.629 -12.482 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.500 -2.034 -9.700 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.062 -3.259 -10.364 1.00 0.00 C ATOM 1222 C ALA A 78 -0.857 -4.479 -9.886 1.00 0.00 C ATOM 1223 O ALA A 78 -0.908 -5.496 -10.573 1.00 0.00 O ATOM 1224 CB ALA A 78 1.424 -3.481 -10.132 1.00 0.00 C ATOM 0 H ALA A 78 -0.009 -1.831 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.246 -3.139 -11.432 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.737 -4.397 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.985 -2.638 -10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.616 -3.567 -9.063 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.475 -4.375 -8.710 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.261 -5.475 -8.157 1.00 0.00 C ATOM 1232 C CYS A 79 -3.705 -5.429 -8.656 1.00 0.00 C ATOM 1233 O CYS A 79 -4.348 -6.466 -8.811 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.239 -5.423 -6.631 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.352 -7.043 -5.834 1.00 0.00 S ATOM 0 H CYS A 79 -1.446 -3.541 -8.123 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.812 -6.410 -8.494 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.319 -4.935 -6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.067 -4.803 -6.287 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.323 -6.894 -4.543 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.208 -4.222 -8.906 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.575 -4.045 -9.383 1.00 0.00 C ATOM 1243 C CYS A 80 -5.644 -4.111 -10.910 1.00 0.00 C ATOM 1244 O CYS A 80 -6.647 -4.557 -11.471 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.142 -2.709 -8.891 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.894 -2.767 -8.451 1.00 0.00 S ATOM 0 H CYS A 80 -3.688 -3.353 -8.786 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.176 -4.860 -8.980 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.571 -2.382 -8.022 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.998 -1.958 -9.668 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.279 -1.593 -8.046 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.581 -3.660 -11.578 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.537 -3.662 -13.040 1.00 0.00 C ATOM 1254 C GLN A 81 -3.785 -4.877 -13.584 1.00 0.00 C ATOM 1255 O GLN A 81 -4.249 -5.525 -14.525 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.886 -2.376 -13.555 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.543 -1.106 -13.034 1.00 0.00 C ATOM 1258 CD GLN A 81 -4.814 -0.094 -14.130 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -5.965 0.229 -14.421 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -3.752 0.414 -14.747 1.00 0.00 N ATOM 0 H GLN A 81 -3.742 -3.290 -11.131 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.566 -3.716 -13.396 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.834 -2.373 -13.271 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.922 -2.372 -14.644 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.481 -1.363 -12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.901 -0.654 -12.278 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.814 0.119 -14.475 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.875 1.099 -15.493 1.00 0.00 H new ATOM 1269 N SER A 82 -2.625 -5.178 -13.001 1.00 0.00 N ATOM 1270 CA SER A 82 -1.817 -6.317 -13.450 1.00 0.00 C ATOM 1271 C SER A 82 -2.205 -7.602 -12.722 1.00 0.00 C ATOM 1272 O SER A 82 -2.016 -8.696 -13.254 1.00 0.00 O ATOM 1273 CB SER A 82 -0.321 -6.040 -13.258 1.00 0.00 C ATOM 1274 OG SER A 82 -0.055 -4.649 -13.218 1.00 0.00 O ATOM 0 H SER A 82 -2.224 -4.655 -12.222 1.00 0.00 H new ATOM 0 HA SER A 82 -2.017 -6.452 -14.513 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.021 -6.504 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.243 -6.497 -14.071 1.00 0.00 H new ATOM 0 HG SER A 82 0.426 -4.384 -14.030 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.755 -7.460 -11.509 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.181 -8.603 -10.704 1.00 0.00 C ATOM 1282 C ASN A 83 -1.984 -9.457 -10.279 1.00 0.00 C ATOM 1283 O ASN A 83 -1.546 -9.385 -9.130 1.00 0.00 O ATOM 1284 CB ASN A 83 -4.208 -9.444 -11.470 1.00 0.00 C ATOM 1285 CG ASN A 83 -5.433 -8.642 -11.887 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -5.342 -7.453 -12.195 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -6.593 -9.291 -11.903 1.00 0.00 N ATOM 0 H ASN A 83 -2.915 -6.556 -11.065 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.654 -8.223 -9.798 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.736 -9.866 -12.357 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.522 -10.282 -10.847 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.446 -8.804 -12.177 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.630 -10.276 -11.641 1.00 0.00 H new ATOM 1294 N SER A 84 -1.458 -10.260 -11.207 1.00 0.00 N ATOM 1295 CA SER A 84 -0.314 -11.118 -10.920 1.00 0.00 C ATOM 1296 C SER A 84 0.645 -11.176 -12.114 1.00 0.00 C ATOM 1297 O SER A 84 1.066 -12.256 -12.539 1.00 0.00 O ATOM 1298 CB SER A 84 -0.798 -12.521 -10.547 1.00 0.00 C ATOM 1299 OG SER A 84 -1.263 -13.227 -11.685 1.00 0.00 O ATOM 0 H SER A 84 -1.808 -10.331 -12.162 1.00 0.00 H new ATOM 0 HA SER A 84 0.233 -10.696 -10.077 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.016 -13.076 -10.080 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.598 -12.448 -9.810 1.00 0.00 H new ATOM 0 HG SER A 84 -0.553 -13.266 -12.359 1.00 0.00 H new ATOM 1305 N LEU A 85 0.988 -10.006 -12.648 1.00 0.00 N ATOM 1306 CA LEU A 85 1.895 -9.917 -13.787 1.00 0.00 C ATOM 1307 C LEU A 85 3.303 -9.541 -13.339 1.00 0.00 C ATOM 1308 O LEU A 85 4.286 -10.099 -13.830 1.00 0.00 O ATOM 1309 CB LEU A 85 1.375 -8.889 -14.798 1.00 0.00 C ATOM 1310 CG LEU A 85 2.048 -8.925 -16.175 1.00 0.00 C ATOM 1311 CD1 LEU A 85 1.146 -8.287 -17.221 1.00 0.00 C ATOM 1312 CD2 LEU A 85 3.400 -8.223 -16.129 1.00 0.00 C ATOM 0 H LEU A 85 0.650 -9.105 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 85 1.938 -10.897 -14.262 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.304 -9.044 -14.931 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.502 -7.892 -14.376 1.00 0.00 H new ATOM 0 HG LEU A 85 2.215 -9.966 -16.452 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.637 -8.320 -18.194 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.204 -8.833 -17.271 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.950 -7.250 -16.948 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.862 -8.259 -17.115 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.260 -7.184 -15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.046 -8.724 -15.407 1.00 0.00 H new ATOM 1324 N LEU A 86 3.399 -8.589 -12.409 1.00 0.00 N ATOM 1325 CA LEU A 86 4.692 -8.141 -11.907 1.00 0.00 C ATOM 1326 C LEU A 86 4.676 -7.973 -10.387 1.00 0.00 C ATOM 1327 O LEU A 86 4.424 -6.880 -9.873 1.00 0.00 O ATOM 1328 CB LEU A 86 5.095 -6.824 -12.579 1.00 0.00 C ATOM 1329 CG LEU A 86 4.069 -5.694 -12.469 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.754 -4.382 -12.119 1.00 0.00 C ATOM 1331 CD2 LEU A 86 3.280 -5.557 -13.762 1.00 0.00 C ATOM 0 H LEU A 86 2.597 -8.117 -11.991 1.00 0.00 H new ATOM 0 HA LEU A 86 5.427 -8.908 -12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.034 -6.484 -12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.287 -7.017 -13.634 1.00 0.00 H new ATOM 0 HG LEU A 86 3.372 -5.942 -11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.008 -3.591 -12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.270 -4.484 -11.164 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.475 -4.129 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.556 -4.748 -13.663 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.962 -5.335 -14.583 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.756 -6.490 -13.969 1.00 0.00 H new ATOM 1343 N ASN A 87 4.959 -9.059 -9.668 1.00 0.00 N ATOM 1344 CA ASN A 87 4.989 -9.021 -8.207 1.00 0.00 C ATOM 1345 C ASN A 87 6.363 -8.594 -7.705 1.00 0.00 C ATOM 1346 O ASN A 87 6.480 -8.041 -6.612 1.00 0.00 O ATOM 1347 CB ASN A 87 4.613 -10.382 -7.615 1.00 0.00 C ATOM 1348 CG ASN A 87 3.901 -10.252 -6.280 1.00 0.00 C ATOM 1349 OD1 ASN A 87 2.701 -10.507 -6.177 1.00 0.00 O ATOM 1350 ND2 ASN A 87 4.640 -9.858 -5.247 1.00 0.00 N ATOM 0 H ASN A 87 5.170 -9.972 -10.072 1.00 0.00 H new ATOM 0 HA ASN A 87 4.253 -8.286 -7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.972 -10.916 -8.316 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.514 -10.982 -7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.215 -9.757 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.632 -9.657 -5.377 1.00 0.00 H new ATOM 1357 N MET A 88 7.398 -8.838 -8.513 1.00 0.00 N ATOM 1358 CA MET A 88 8.764 -8.456 -8.151 1.00 0.00 C ATOM 1359 C MET A 88 8.879 -6.941 -7.951 1.00 0.00 C ATOM 1360 O MET A 88 9.845 -6.463 -7.355 1.00 0.00 O ATOM 1361 CB MET A 88 9.757 -8.922 -9.221 1.00 0.00 C ATOM 1362 CG MET A 88 9.427 -8.439 -10.627 1.00 0.00 C ATOM 1363 SD MET A 88 10.526 -7.125 -11.188 1.00 0.00 S ATOM 1364 CE MET A 88 9.341 -5.938 -11.814 1.00 0.00 C ATOM 0 H MET A 88 7.316 -9.297 -9.420 1.00 0.00 H new ATOM 0 HA MET A 88 9.007 -8.946 -7.208 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.754 -8.573 -8.953 1.00 0.00 H new ATOM 0 HB3 MET A 88 9.790 -10.011 -9.221 1.00 0.00 H new ATOM 0 HG2 MET A 88 9.489 -9.279 -11.319 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.398 -8.081 -10.651 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.815 -4.960 -11.899 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.990 -6.257 -12.795 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.495 -5.873 -11.130 1.00 0.00 H new ATOM 1374 N GLU A 89 7.888 -6.190 -8.445 1.00 0.00 N ATOM 1375 CA GLU A 89 7.881 -4.736 -8.309 1.00 0.00 C ATOM 1376 C GLU A 89 7.499 -4.290 -6.903 1.00 0.00 C ATOM 1377 O GLU A 89 7.453 -3.089 -6.630 1.00 0.00 O ATOM 1378 CB GLU A 89 6.944 -4.099 -9.340 1.00 0.00 C ATOM 1379 CG GLU A 89 7.658 -3.212 -10.347 1.00 0.00 C ATOM 1380 CD GLU A 89 8.347 -2.029 -9.696 1.00 0.00 C ATOM 1381 OE1 GLU A 89 7.657 -1.033 -9.389 1.00 0.00 O ATOM 1382 OE2 GLU A 89 9.577 -2.100 -9.490 1.00 0.00 O ATOM 0 H GLU A 89 7.082 -6.569 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 89 8.899 -4.395 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.416 -4.888 -9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.191 -3.508 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.395 -3.804 -10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.938 -2.850 -11.081 1.00 0.00 H new ATOM 1389 N ASN A 90 7.264 -5.246 -6.000 1.00 0.00 N ATOM 1390 CA ASN A 90 6.942 -4.912 -4.620 1.00 0.00 C ATOM 1391 C ASN A 90 7.966 -3.905 -4.091 1.00 0.00 C ATOM 1392 O ASN A 90 7.646 -3.069 -3.245 1.00 0.00 O ATOM 1393 CB ASN A 90 6.938 -6.172 -3.746 1.00 0.00 C ATOM 1394 CG ASN A 90 8.210 -6.994 -3.891 1.00 0.00 C ATOM 1395 OD1 ASN A 90 9.033 -6.997 -2.853 1.00 0.00 O flip ATOM 1396 ND2 ASN A 90 8.450 -7.616 -4.924 1.00 0.00 N flip ATOM 0 H ASN A 90 7.291 -6.246 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 90 5.946 -4.471 -4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.814 -5.884 -2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.080 -6.789 -4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.790 -7.588 -5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.309 -8.160 -5.004 1.00 0.00 H new ATOM 1403 N TYR A 91 9.200 -3.993 -4.626 1.00 0.00 N ATOM 1404 CA TYR A 91 10.289 -3.102 -4.253 1.00 0.00 C ATOM 1405 C TYR A 91 10.306 -2.854 -2.754 1.00 0.00 C ATOM 1406 O TYR A 91 10.480 -1.723 -2.289 1.00 0.00 O ATOM 1407 CB TYR A 91 10.178 -1.790 -5.031 1.00 0.00 C ATOM 1408 CG TYR A 91 11.462 -0.996 -5.053 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.583 -1.483 -5.709 1.00 0.00 C ATOM 1410 CD2 TYR A 91 11.555 0.237 -4.418 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.762 -0.769 -5.732 1.00 0.00 C ATOM 1412 CE2 TYR A 91 12.731 0.958 -4.437 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.833 0.452 -5.095 1.00 0.00 C ATOM 1414 OH TYR A 91 15.009 1.168 -5.118 1.00 0.00 O ATOM 0 H TYR A 91 9.458 -4.687 -5.327 1.00 0.00 H new ATOM 0 HA TYR A 91 11.234 -3.579 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.877 -2.008 -6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.390 -1.180 -4.590 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.531 -2.438 -6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.694 0.636 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.626 -1.164 -6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.789 1.915 -3.939 1.00 0.00 H new ATOM 0 HH TYR A 91 14.891 2.006 -4.624 1.00 0.00 H new ATOM 1424 N LEU A 92 10.121 -3.929 -2.004 1.00 0.00 N ATOM 1425 CA LEU A 92 10.112 -3.850 -0.551 1.00 0.00 C ATOM 1426 C LEU A 92 11.481 -3.421 -0.023 1.00 0.00 C ATOM 1427 O LEU A 92 12.515 -3.755 -0.605 1.00 0.00 O ATOM 1428 CB LEU A 92 9.700 -5.188 0.075 1.00 0.00 C ATOM 1429 CG LEU A 92 10.617 -6.380 -0.231 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.851 -6.356 0.660 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.864 -7.693 -0.058 1.00 0.00 C ATOM 0 H LEU A 92 9.975 -4.867 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 92 9.376 -3.098 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.649 -5.061 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.693 -5.432 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 92 10.942 -6.300 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.486 -7.210 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.406 -5.433 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.546 -6.407 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.531 -8.527 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.508 -7.776 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.014 -7.717 -0.740 1.00 0.00 H new ATOM 1443 N VAL A 93 11.474 -2.680 1.081 1.00 0.00 N ATOM 1444 CA VAL A 93 12.702 -2.199 1.698 1.00 0.00 C ATOM 1445 C VAL A 93 13.253 -3.237 2.674 1.00 0.00 C ATOM 1446 O VAL A 93 12.656 -3.490 3.724 1.00 0.00 O ATOM 1447 CB VAL A 93 12.476 -0.866 2.447 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.798 -0.294 2.934 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.749 0.138 1.560 1.00 0.00 C ATOM 0 H VAL A 93 10.623 -2.399 1.569 1.00 0.00 H new ATOM 0 HA VAL A 93 13.422 -2.030 0.897 1.00 0.00 H new ATOM 0 HB VAL A 93 11.849 -1.067 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.617 0.644 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.274 -1.003 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.452 -0.113 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.601 1.068 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.344 0.333 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.781 -0.269 1.268 1.00 0.00 H new ATOM 1459 N PRO A 94 14.401 -3.861 2.335 1.00 0.00 N ATOM 1460 CA PRO A 94 15.033 -4.880 3.185 1.00 0.00 C ATOM 1461 C PRO A 94 15.443 -4.328 4.547 1.00 0.00 C ATOM 1462 O PRO A 94 15.543 -3.112 4.732 1.00 0.00 O ATOM 1463 CB PRO A 94 16.274 -5.307 2.388 1.00 0.00 C ATOM 1464 CG PRO A 94 16.010 -4.865 0.989 1.00 0.00 C ATOM 1465 CD PRO A 94 15.170 -3.628 1.102 1.00 0.00 C ATOM 0 HA PRO A 94 14.349 -5.701 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.176 -4.841 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 94 16.423 -6.386 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.941 -4.658 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.490 -5.640 0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.783 -2.729 1.172 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.518 -3.503 0.237 1.00 0.00 H new