USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 47 HIS : no HD1:sc= -3.14 K(o=-4.3,f=-2.4) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -1.13! USER MOD Single : A 26 SER OG : rot 180:sc= 0.322! USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -6.5! C(o=-6.5!,f=-8.7!) USER MOD Single : A 36 ASN : amide:sc= -6.18! C(o=-6.2!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc=-0.000823 (180deg=-0.04) USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= -1.86 (180deg=-3.21!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -2.1! (180deg=-4.09!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.101! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -5.921 6.125 -1.690 1.00 0.00 N ATOM 116 CA PRO A 24 -4.992 7.238 -1.918 1.00 0.00 C ATOM 117 C PRO A 24 -4.004 7.218 -0.767 1.00 0.00 C ATOM 118 O PRO A 24 -3.955 8.124 0.042 1.00 0.00 O ATOM 119 CB PRO A 24 -5.886 8.476 -1.876 1.00 0.00 C ATOM 120 CG PRO A 24 -7.065 8.061 -1.056 1.00 0.00 C ATOM 121 CD PRO A 24 -7.255 6.584 -1.287 1.00 0.00 C ATOM 0 HA PRO A 24 -4.430 7.200 -2.851 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.369 9.324 -1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.188 8.782 -2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.894 8.269 0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.956 8.616 -1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.598 6.078 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.997 6.391 -2.062 1.00 0.00 H new ATOM 129 N ILE A 25 -3.234 6.165 -0.670 1.00 0.00 N ATOM 130 CA ILE A 25 -2.254 6.036 0.442 1.00 0.00 C ATOM 131 C ILE A 25 -1.175 7.106 0.321 1.00 0.00 C ATOM 132 O ILE A 25 0.007 6.824 0.355 1.00 0.00 O ATOM 133 CB ILE A 25 -1.663 4.642 0.256 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.949 4.584 -1.088 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.791 3.613 0.259 1.00 0.00 C ATOM 136 CD1 ILE A 25 0.322 3.749 -0.963 1.00 0.00 C ATOM 0 H ILE A 25 -3.245 5.382 -1.323 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.706 6.166 1.425 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.963 4.427 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.607 4.151 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.702 5.592 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.373 2.615 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.324 3.660 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.482 3.828 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.829 3.711 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.983 4.201 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.064 2.738 -0.649 1.00 0.00 H new ATOM 148 N SER A 26 -1.578 8.334 0.188 1.00 0.00 N ATOM 149 CA SER A 26 -0.587 9.437 0.070 1.00 0.00 C ATOM 150 C SER A 26 0.090 9.670 1.420 1.00 0.00 C ATOM 151 O SER A 26 1.232 9.320 1.619 1.00 0.00 O ATOM 152 CB SER A 26 -1.400 10.663 -0.343 1.00 0.00 C ATOM 153 OG SER A 26 -2.327 10.982 0.686 1.00 0.00 O ATOM 0 H SER A 26 -2.555 8.624 0.156 1.00 0.00 H new ATOM 0 HA SER A 26 0.200 9.215 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.737 11.509 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.928 10.466 -1.276 1.00 0.00 H new ATOM 0 HG SER A 26 -2.849 11.769 0.424 1.00 0.00 H new ATOM 159 N ARG A 27 -0.606 10.252 2.352 1.00 0.00 N ATOM 160 CA ARG A 27 0.004 10.502 3.691 1.00 0.00 C ATOM 161 C ARG A 27 0.106 9.195 4.480 1.00 0.00 C ATOM 162 O ARG A 27 0.814 9.107 5.463 1.00 0.00 O ATOM 163 CB ARG A 27 -0.951 11.471 4.389 1.00 0.00 C ATOM 164 CG ARG A 27 -1.200 12.684 3.491 1.00 0.00 C ATOM 165 CD ARG A 27 -0.177 13.774 3.812 1.00 0.00 C ATOM 166 NE ARG A 27 0.507 14.049 2.518 1.00 0.00 N ATOM 167 CZ ARG A 27 1.666 14.649 2.502 1.00 0.00 C ATOM 168 NH1 ARG A 27 2.230 15.017 3.622 1.00 0.00 N ATOM 169 NH2 ARG A 27 2.260 14.886 1.364 1.00 0.00 N ATOM 0 H ARG A 27 -1.571 10.567 2.248 1.00 0.00 H new ATOM 0 HA ARG A 27 1.013 10.907 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.894 10.971 4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.528 11.792 5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.123 12.396 2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.211 13.062 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.662 14.669 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.531 13.440 4.570 1.00 0.00 H new ATOM 0 HE ARG A 27 0.068 13.767 1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.764 14.835 4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.136 15.486 3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.818 14.602 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.166 15.355 1.349 1.00 0.00 H new ATOM 183 N LEU A 28 -0.606 8.184 4.069 1.00 0.00 N ATOM 184 CA LEU A 28 -0.562 6.889 4.809 1.00 0.00 C ATOM 185 C LEU A 28 0.857 6.308 4.828 1.00 0.00 C ATOM 186 O LEU A 28 1.549 6.380 5.824 1.00 0.00 O ATOM 187 CB LEU A 28 -1.505 5.962 4.040 1.00 0.00 C ATOM 188 CG LEU A 28 -2.913 6.072 4.628 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.920 5.421 3.680 1.00 0.00 C ATOM 190 CD2 LEU A 28 -2.958 5.359 5.983 1.00 0.00 C ATOM 0 H LEU A 28 -1.217 8.197 3.253 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.857 7.013 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.517 6.232 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.152 4.933 4.102 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.167 7.124 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.922 5.501 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.891 5.927 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.666 4.370 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.961 5.437 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.701 4.308 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.244 5.824 6.663 1.00 0.00 H new ATOM 202 N GLU A 29 1.290 5.717 3.745 1.00 0.00 N ATOM 203 CA GLU A 29 2.656 5.112 3.718 1.00 0.00 C ATOM 204 C GLU A 29 3.716 6.154 3.334 1.00 0.00 C ATOM 205 O GLU A 29 4.856 6.062 3.742 1.00 0.00 O ATOM 206 CB GLU A 29 2.581 4.016 2.651 1.00 0.00 C ATOM 207 CG GLU A 29 2.613 4.637 1.257 1.00 0.00 C ATOM 208 CD GLU A 29 4.039 4.591 0.712 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.949 4.883 1.469 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.196 4.260 -0.452 1.00 0.00 O ATOM 0 H GLU A 29 0.758 5.627 2.879 1.00 0.00 H new ATOM 0 HA GLU A 29 2.943 4.725 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.416 3.325 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.667 3.436 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.940 4.097 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.261 5.668 1.298 1.00 0.00 H new ATOM 217 N GLN A 30 3.363 7.142 2.552 1.00 0.00 N ATOM 218 CA GLN A 30 4.379 8.161 2.163 1.00 0.00 C ATOM 219 C GLN A 30 4.798 8.956 3.398 1.00 0.00 C ATOM 220 O GLN A 30 5.938 9.351 3.538 1.00 0.00 O ATOM 221 CB GLN A 30 3.695 9.066 1.140 1.00 0.00 C ATOM 222 CG GLN A 30 4.732 9.583 0.143 1.00 0.00 C ATOM 223 CD GLN A 30 5.276 10.929 0.626 1.00 0.00 C ATOM 224 OE1 GLN A 30 6.327 10.988 1.233 1.00 0.00 O ATOM 225 NE2 GLN A 30 4.600 12.019 0.384 1.00 0.00 N ATOM 0 H GLN A 30 2.428 7.285 2.171 1.00 0.00 H new ATOM 0 HA GLN A 30 5.278 7.710 1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.914 8.515 0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.211 9.902 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.546 8.865 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.281 9.694 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.718 11.969 -0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.954 12.920 0.704 1.00 0.00 H new ATOM 234 N CYS A 31 3.888 9.174 4.309 1.00 0.00 N ATOM 235 CA CYS A 31 4.247 9.920 5.543 1.00 0.00 C ATOM 236 C CYS A 31 4.967 8.973 6.502 1.00 0.00 C ATOM 237 O CYS A 31 5.583 9.391 7.463 1.00 0.00 O ATOM 238 CB CYS A 31 2.920 10.393 6.136 1.00 0.00 C ATOM 239 SG CYS A 31 3.213 11.803 7.232 1.00 0.00 S ATOM 0 H CYS A 31 2.917 8.868 4.250 1.00 0.00 H new ATOM 0 HA CYS A 31 4.910 10.763 5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.234 10.676 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.448 9.581 6.689 1.00 0.00 H new ATOM 0 HG CYS A 31 2.083 12.205 7.734 1.00 0.00 H new ATOM 245 N GLY A 32 4.909 7.695 6.233 1.00 0.00 N ATOM 246 CA GLY A 32 5.604 6.717 7.112 1.00 0.00 C ATOM 247 C GLY A 32 4.596 5.784 7.790 1.00 0.00 C ATOM 248 O GLY A 32 4.415 5.831 8.989 1.00 0.00 O ATOM 0 H GLY A 32 4.410 7.289 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.311 6.131 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.182 7.248 7.869 1.00 0.00 H new ATOM 252 N ILE A 33 3.962 4.911 7.049 1.00 0.00 N ATOM 253 CA ILE A 33 3.008 3.970 7.694 1.00 0.00 C ATOM 254 C ILE A 33 3.823 2.837 8.330 1.00 0.00 C ATOM 255 O ILE A 33 4.731 3.079 9.098 1.00 0.00 O ATOM 256 CB ILE A 33 2.083 3.467 6.564 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.906 2.702 7.179 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.849 2.546 5.599 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.189 3.691 7.584 1.00 0.00 C ATOM 0 H ILE A 33 4.064 4.812 6.039 1.00 0.00 H new ATOM 0 HA ILE A 33 2.406 4.423 8.482 1.00 0.00 H new ATOM 0 HB ILE A 33 1.717 4.326 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.513 1.981 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.240 2.137 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.177 2.204 4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.679 3.095 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.234 1.686 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.026 3.148 8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.209 4.395 8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.530 4.236 6.704 1.00 0.00 H new ATOM 271 N ASN A 34 3.529 1.615 8.013 1.00 0.00 N ATOM 272 CA ASN A 34 4.314 0.487 8.594 1.00 0.00 C ATOM 273 C ASN A 34 5.657 0.377 7.854 1.00 0.00 C ATOM 274 O ASN A 34 6.448 1.296 7.868 1.00 0.00 O ATOM 275 CB ASN A 34 3.444 -0.755 8.374 1.00 0.00 C ATOM 276 CG ASN A 34 4.053 -1.966 9.092 1.00 0.00 C ATOM 277 OD1 ASN A 34 3.769 -3.094 8.742 1.00 0.00 O ATOM 278 ND2 ASN A 34 4.882 -1.785 10.084 1.00 0.00 N ATOM 0 H ASN A 34 2.780 1.342 7.377 1.00 0.00 H new ATOM 0 HA ASN A 34 4.544 0.618 9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.436 -0.572 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.357 -0.962 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.289 -2.589 10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.123 -0.839 10.381 1.00 0.00 H new ATOM 285 N ALA A 35 5.919 -0.722 7.194 1.00 0.00 N ATOM 286 CA ALA A 35 7.205 -0.851 6.446 1.00 0.00 C ATOM 287 C ALA A 35 7.030 -0.310 5.035 1.00 0.00 C ATOM 288 O ALA A 35 7.987 -0.038 4.337 1.00 0.00 O ATOM 289 CB ALA A 35 7.506 -2.343 6.380 1.00 0.00 C ATOM 0 H ALA A 35 5.301 -1.532 7.141 1.00 0.00 H new ATOM 0 HA ALA A 35 8.008 -0.297 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.440 -2.502 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.597 -2.741 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.696 -2.855 5.861 1.00 0.00 H new ATOM 295 N ASN A 36 5.811 -0.172 4.600 1.00 0.00 N ATOM 296 CA ASN A 36 5.577 0.338 3.226 1.00 0.00 C ATOM 297 C ASN A 36 6.501 1.518 2.951 1.00 0.00 C ATOM 298 O ASN A 36 6.998 1.690 1.856 1.00 0.00 O ATOM 299 CB ASN A 36 4.121 0.799 3.194 1.00 0.00 C ATOM 300 CG ASN A 36 3.216 -0.299 3.752 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.389 -0.736 4.872 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.247 -0.763 3.013 1.00 0.00 N ATOM 0 H ASN A 36 4.970 -0.390 5.135 1.00 0.00 H new ATOM 0 HA ASN A 36 5.774 -0.424 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.006 1.710 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.829 1.039 2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.634 -1.493 3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.102 -0.396 2.073 1.00 0.00 H new ATOM 309 N ASP A 37 6.732 2.336 3.938 1.00 0.00 N ATOM 310 CA ASP A 37 7.617 3.508 3.728 1.00 0.00 C ATOM 311 C ASP A 37 8.820 3.115 2.859 1.00 0.00 C ATOM 312 O ASP A 37 8.886 3.450 1.692 1.00 0.00 O ATOM 313 CB ASP A 37 8.057 3.958 5.130 1.00 0.00 C ATOM 314 CG ASP A 37 8.303 2.752 6.039 1.00 0.00 C ATOM 315 OD1 ASP A 37 8.783 1.749 5.543 1.00 0.00 O ATOM 316 OD2 ASP A 37 8.020 2.861 7.220 1.00 0.00 O ATOM 0 H ASP A 37 6.346 2.242 4.878 1.00 0.00 H new ATOM 0 HA ASP A 37 7.108 4.317 3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.967 4.554 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.291 4.598 5.568 1.00 0.00 H new ATOM 321 N VAL A 38 9.763 2.402 3.413 1.00 0.00 N ATOM 322 CA VAL A 38 10.962 1.989 2.627 1.00 0.00 C ATOM 323 C VAL A 38 10.607 1.017 1.498 1.00 0.00 C ATOM 324 O VAL A 38 11.082 1.141 0.389 1.00 0.00 O ATOM 325 CB VAL A 38 11.849 1.270 3.641 1.00 0.00 C ATOM 326 CG1 VAL A 38 13.240 1.070 3.038 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.961 2.112 4.915 1.00 0.00 C ATOM 0 H VAL A 38 9.754 2.086 4.383 1.00 0.00 H new ATOM 0 HA VAL A 38 11.435 2.851 2.155 1.00 0.00 H new ATOM 0 HB VAL A 38 11.412 0.302 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.878 0.557 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.161 0.470 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.674 2.040 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.594 1.597 5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.399 3.080 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.969 2.259 5.342 1.00 0.00 H new ATOM 337 N LYS A 39 9.825 0.021 1.782 1.00 0.00 N ATOM 338 CA LYS A 39 9.502 -0.991 0.737 1.00 0.00 C ATOM 339 C LYS A 39 8.435 -0.519 -0.257 1.00 0.00 C ATOM 340 O LYS A 39 8.654 -0.518 -1.451 1.00 0.00 O ATOM 341 CB LYS A 39 8.991 -2.197 1.523 1.00 0.00 C ATOM 342 CG LYS A 39 10.174 -2.916 2.175 1.00 0.00 C ATOM 343 CD LYS A 39 10.391 -2.366 3.586 1.00 0.00 C ATOM 344 CE LYS A 39 10.396 -3.521 4.592 1.00 0.00 C ATOM 345 NZ LYS A 39 11.725 -4.172 4.420 1.00 0.00 N ATOM 0 H LYS A 39 9.393 -0.140 2.692 1.00 0.00 H new ATOM 0 HA LYS A 39 10.379 -1.204 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.282 -1.874 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.458 -2.878 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.983 -3.988 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.074 -2.775 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.335 -1.824 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.603 -1.656 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.263 -3.158 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.584 -4.221 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.592 -5.177 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.243 -3.704 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.269 -4.090 5.303 1.00 0.00 H new ATOM 359 N LYS A 40 7.269 -0.169 0.205 1.00 0.00 N ATOM 360 CA LYS A 40 6.199 0.228 -0.755 1.00 0.00 C ATOM 361 C LYS A 40 6.583 1.450 -1.601 1.00 0.00 C ATOM 362 O LYS A 40 6.455 1.433 -2.810 1.00 0.00 O ATOM 363 CB LYS A 40 4.978 0.565 0.096 1.00 0.00 C ATOM 364 CG LYS A 40 4.123 -0.685 0.293 1.00 0.00 C ATOM 365 CD LYS A 40 2.907 -0.609 -0.629 1.00 0.00 C ATOM 366 CE LYS A 40 2.121 0.669 -0.333 1.00 0.00 C ATOM 367 NZ LYS A 40 0.761 0.416 -0.882 1.00 0.00 N ATOM 0 H LYS A 40 7.010 -0.140 1.191 1.00 0.00 H new ATOM 0 HA LYS A 40 6.018 -0.584 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.294 0.956 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.391 1.346 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.707 -1.579 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.803 -0.762 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.226 -0.619 -1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.271 -1.482 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.084 0.871 0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.583 1.536 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.052 0.888 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.703 0.790 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.576 -0.607 -0.894 1.00 0.00 H new ATOM 381 N LEU A 41 6.990 2.532 -0.987 1.00 0.00 N ATOM 382 CA LEU A 41 7.299 3.754 -1.795 1.00 0.00 C ATOM 383 C LEU A 41 8.752 3.826 -2.291 1.00 0.00 C ATOM 384 O LEU A 41 9.038 4.507 -3.250 1.00 0.00 O ATOM 385 CB LEU A 41 6.981 4.932 -0.865 1.00 0.00 C ATOM 386 CG LEU A 41 8.245 5.391 -0.130 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.915 6.520 -0.915 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.874 5.889 1.266 1.00 0.00 C ATOM 0 H LEU A 41 7.121 2.624 0.020 1.00 0.00 H new ATOM 0 HA LEU A 41 6.708 3.756 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.569 5.759 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.220 4.638 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 41 8.936 4.552 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.814 6.845 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.184 6.162 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.225 7.359 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.774 6.215 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.181 6.726 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.402 5.082 1.827 1.00 0.00 H new ATOM 400 N GLU A 42 9.687 3.191 -1.654 1.00 0.00 N ATOM 401 CA GLU A 42 11.085 3.342 -2.153 1.00 0.00 C ATOM 402 C GLU A 42 11.412 2.336 -3.252 1.00 0.00 C ATOM 403 O GLU A 42 12.064 2.663 -4.223 1.00 0.00 O ATOM 404 CB GLU A 42 11.986 3.125 -0.941 1.00 0.00 C ATOM 405 CG GLU A 42 13.177 4.080 -1.017 1.00 0.00 C ATOM 406 CD GLU A 42 14.436 3.367 -0.519 1.00 0.00 C ATOM 407 OE1 GLU A 42 14.401 2.844 0.583 1.00 0.00 O ATOM 408 OE2 GLU A 42 15.415 3.357 -1.248 1.00 0.00 O ATOM 0 H GLU A 42 9.559 2.593 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 42 11.229 4.326 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.426 3.297 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.335 2.093 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.320 4.419 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.985 4.966 -0.412 1.00 0.00 H new ATOM 415 N GLU A 43 10.975 1.125 -3.120 1.00 0.00 N ATOM 416 CA GLU A 43 11.279 0.128 -4.179 1.00 0.00 C ATOM 417 C GLU A 43 10.260 0.259 -5.304 1.00 0.00 C ATOM 418 O GLU A 43 10.205 -0.551 -6.207 1.00 0.00 O ATOM 419 CB GLU A 43 11.144 -1.227 -3.499 1.00 0.00 C ATOM 420 CG GLU A 43 11.878 -1.206 -2.159 1.00 0.00 C ATOM 421 CD GLU A 43 13.388 -1.139 -2.401 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.937 -2.124 -2.869 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.967 -0.104 -2.119 1.00 0.00 O ATOM 0 H GLU A 43 10.425 0.780 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 43 12.270 0.265 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.091 -1.464 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.556 -2.008 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.556 -0.347 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.631 -2.098 -1.584 1.00 0.00 H new ATOM 430 N ALA A 44 9.436 1.266 -5.244 1.00 0.00 N ATOM 431 CA ALA A 44 8.405 1.437 -6.295 1.00 0.00 C ATOM 432 C ALA A 44 7.921 2.890 -6.357 1.00 0.00 C ATOM 433 O ALA A 44 7.637 3.413 -7.418 1.00 0.00 O ATOM 434 CB ALA A 44 7.277 0.517 -5.846 1.00 0.00 C ATOM 0 H ALA A 44 9.434 1.976 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 44 8.778 1.201 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.457 0.570 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.644 -0.508 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.922 0.829 -4.864 1.00 0.00 H new ATOM 440 N GLY A 45 7.815 3.547 -5.233 1.00 0.00 N ATOM 441 CA GLY A 45 7.337 4.965 -5.247 1.00 0.00 C ATOM 442 C GLY A 45 5.808 4.995 -5.190 1.00 0.00 C ATOM 443 O GLY A 45 5.199 6.046 -5.185 1.00 0.00 O ATOM 0 H GLY A 45 8.036 3.169 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.753 5.507 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.687 5.468 -6.149 1.00 0.00 H new ATOM 447 N PHE A 46 5.183 3.851 -5.172 1.00 0.00 N ATOM 448 CA PHE A 46 3.676 3.823 -5.144 1.00 0.00 C ATOM 449 C PHE A 46 3.124 4.399 -3.833 1.00 0.00 C ATOM 450 O PHE A 46 2.343 3.763 -3.153 1.00 0.00 O ATOM 451 CB PHE A 46 3.264 2.347 -5.263 1.00 0.00 C ATOM 452 CG PHE A 46 4.116 1.633 -6.283 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.822 2.360 -7.241 1.00 0.00 C ATOM 454 CD2 PHE A 46 4.213 0.237 -6.253 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.619 1.702 -8.169 1.00 0.00 C ATOM 456 CE2 PHE A 46 5.013 -0.429 -7.187 1.00 0.00 C ATOM 457 CZ PHE A 46 5.721 0.305 -8.147 1.00 0.00 C ATOM 0 H PHE A 46 5.636 2.937 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 46 3.277 4.430 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.363 1.858 -4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.214 2.280 -5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.749 3.437 -7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.670 -0.326 -5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.162 2.269 -8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.085 -1.506 -7.168 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.343 -0.204 -8.868 1.00 0.00 H new ATOM 467 N HIS A 47 3.502 5.595 -3.467 1.00 0.00 N ATOM 468 CA HIS A 47 2.966 6.180 -2.202 1.00 0.00 C ATOM 469 C HIS A 47 1.690 6.986 -2.473 1.00 0.00 C ATOM 470 O HIS A 47 1.651 8.183 -2.273 1.00 0.00 O ATOM 471 CB HIS A 47 4.080 7.088 -1.667 1.00 0.00 C ATOM 472 CG HIS A 47 4.595 7.980 -2.763 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.949 8.200 -2.958 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.953 8.719 -3.728 1.00 0.00 C ATOM 475 CE1 HIS A 47 6.078 9.040 -4.001 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.893 9.387 -4.509 1.00 0.00 N ATOM 0 H HIS A 47 4.152 6.188 -3.983 1.00 0.00 H new ATOM 0 HA HIS A 47 2.696 5.407 -1.483 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.702 7.693 -0.843 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.894 6.482 -1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.883 8.773 -3.860 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.026 9.391 -4.381 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.715 10.007 -5.299 1.00 0.00 H new ATOM 484 N THR A 48 0.640 6.339 -2.911 1.00 0.00 N ATOM 485 CA THR A 48 -0.632 7.081 -3.175 1.00 0.00 C ATOM 486 C THR A 48 -1.713 6.148 -3.738 1.00 0.00 C ATOM 487 O THR A 48 -1.583 4.941 -3.721 1.00 0.00 O ATOM 488 CB THR A 48 -0.265 8.157 -4.199 1.00 0.00 C ATOM 489 OG1 THR A 48 0.985 7.837 -4.795 1.00 0.00 O ATOM 490 CG2 THR A 48 -0.170 9.514 -3.500 1.00 0.00 C ATOM 0 H THR A 48 0.607 5.337 -3.096 1.00 0.00 H new ATOM 0 HA THR A 48 -1.043 7.507 -2.260 1.00 0.00 H new ATOM 0 HB THR A 48 -1.032 8.202 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.220 8.525 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.091 10.281 -4.229 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.130 9.757 -3.046 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.597 9.472 -2.727 1.00 0.00 H new ATOM 498 N VAL A 49 -2.786 6.715 -4.231 1.00 0.00 N ATOM 499 CA VAL A 49 -3.904 5.894 -4.794 1.00 0.00 C ATOM 500 C VAL A 49 -3.376 4.668 -5.554 1.00 0.00 C ATOM 501 O VAL A 49 -4.060 3.673 -5.692 1.00 0.00 O ATOM 502 CB VAL A 49 -4.645 6.848 -5.737 1.00 0.00 C ATOM 503 CG1 VAL A 49 -3.954 6.883 -7.104 1.00 0.00 C ATOM 504 CG2 VAL A 49 -6.088 6.368 -5.911 1.00 0.00 C ATOM 0 H VAL A 49 -2.937 7.723 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.551 5.497 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.636 7.850 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.490 7.564 -7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.927 7.227 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.953 5.883 -7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.618 7.045 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.089 5.363 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.586 6.354 -4.942 1.00 0.00 H new ATOM 514 N GLU A 50 -2.174 4.732 -6.056 1.00 0.00 N ATOM 515 CA GLU A 50 -1.613 3.576 -6.814 1.00 0.00 C ATOM 516 C GLU A 50 -1.785 2.256 -6.047 1.00 0.00 C ATOM 517 O GLU A 50 -1.632 1.192 -6.612 1.00 0.00 O ATOM 518 CB GLU A 50 -0.129 3.903 -6.987 1.00 0.00 C ATOM 519 CG GLU A 50 0.031 5.029 -8.010 1.00 0.00 C ATOM 520 CD GLU A 50 1.317 4.812 -8.809 1.00 0.00 C ATOM 521 OE1 GLU A 50 1.272 4.071 -9.777 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.326 5.391 -8.439 1.00 0.00 O ATOM 0 H GLU A 50 -1.553 5.537 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.126 3.438 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.302 4.202 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.413 3.017 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.828 5.050 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.063 5.994 -7.503 1.00 0.00 H new ATOM 529 N ALA A 51 -2.090 2.299 -4.775 1.00 0.00 N ATOM 530 CA ALA A 51 -2.258 1.026 -4.012 1.00 0.00 C ATOM 531 C ALA A 51 -3.475 0.244 -4.526 1.00 0.00 C ATOM 532 O ALA A 51 -4.400 -0.035 -3.791 1.00 0.00 O ATOM 533 CB ALA A 51 -2.478 1.460 -2.564 1.00 0.00 C ATOM 0 H ALA A 51 -2.229 3.153 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.395 0.369 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.610 0.579 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.613 2.025 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.368 2.086 -2.503 1.00 0.00 H new ATOM 539 N VAL A 52 -3.476 -0.114 -5.782 1.00 0.00 N ATOM 540 CA VAL A 52 -4.626 -0.882 -6.347 1.00 0.00 C ATOM 541 C VAL A 52 -4.480 -0.998 -7.866 1.00 0.00 C ATOM 542 O VAL A 52 -3.841 -0.182 -8.503 1.00 0.00 O ATOM 543 CB VAL A 52 -5.874 -0.067 -5.991 1.00 0.00 C ATOM 544 CG1 VAL A 52 -5.598 1.421 -6.218 1.00 0.00 C ATOM 545 CG2 VAL A 52 -7.044 -0.509 -6.879 1.00 0.00 C ATOM 0 H VAL A 52 -2.728 0.092 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.679 -1.895 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.127 -0.233 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.487 1.999 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.767 1.737 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.343 1.588 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.932 0.070 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.789 -0.344 -7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.244 -1.568 -6.717 1.00 0.00 H new ATOM 555 N ALA A 53 -5.071 -2.002 -8.452 1.00 0.00 N ATOM 556 CA ALA A 53 -4.967 -2.165 -9.931 1.00 0.00 C ATOM 557 C ALA A 53 -3.532 -1.903 -10.391 1.00 0.00 C ATOM 558 O ALA A 53 -2.589 -2.081 -9.645 1.00 0.00 O ATOM 559 CB ALA A 53 -5.915 -1.112 -10.507 1.00 0.00 C ATOM 0 H ALA A 53 -5.620 -2.716 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.225 -3.172 -10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.898 -1.164 -11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.928 -1.300 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.595 -0.120 -10.186 1.00 0.00 H new ATOM 565 N TYR A 54 -3.359 -1.481 -11.614 1.00 0.00 N ATOM 566 CA TYR A 54 -1.985 -1.204 -12.123 1.00 0.00 C ATOM 567 C TYR A 54 -1.030 -2.330 -11.711 1.00 0.00 C ATOM 568 O TYR A 54 -0.905 -3.328 -12.391 1.00 0.00 O ATOM 569 CB TYR A 54 -1.580 0.119 -11.469 1.00 0.00 C ATOM 570 CG TYR A 54 -2.056 1.274 -12.320 1.00 0.00 C ATOM 571 CD1 TYR A 54 -3.369 1.294 -12.804 1.00 0.00 C ATOM 572 CD2 TYR A 54 -1.181 2.324 -12.624 1.00 0.00 C ATOM 573 CE1 TYR A 54 -3.808 2.365 -13.593 1.00 0.00 C ATOM 574 CE2 TYR A 54 -1.622 3.395 -13.412 1.00 0.00 C ATOM 575 CZ TYR A 54 -2.935 3.414 -13.897 1.00 0.00 C ATOM 576 OH TYR A 54 -3.369 4.468 -14.674 1.00 0.00 O ATOM 0 H TYR A 54 -4.111 -1.316 -12.284 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.950 -1.145 -13.211 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.011 0.189 -10.470 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.497 0.162 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.044 0.484 -12.569 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.167 2.308 -12.251 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.821 2.380 -13.967 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.949 4.206 -13.645 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.639 5.112 -14.789 1.00 0.00 H new ATOM 586 N ALA A 55 -0.363 -2.180 -10.600 1.00 0.00 N ATOM 587 CA ALA A 55 0.575 -3.244 -10.141 1.00 0.00 C ATOM 588 C ALA A 55 -0.050 -4.018 -8.978 1.00 0.00 C ATOM 589 O ALA A 55 -0.530 -3.428 -8.030 1.00 0.00 O ATOM 590 CB ALA A 55 1.824 -2.494 -9.681 1.00 0.00 C ATOM 0 H ALA A 55 -0.427 -1.366 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 55 0.803 -3.969 -10.922 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.567 -3.208 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.236 -1.926 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.562 -1.812 -8.872 1.00 0.00 H new ATOM 596 N PRO A 56 -0.026 -5.319 -9.086 1.00 0.00 N ATOM 597 CA PRO A 56 -0.603 -6.176 -8.024 1.00 0.00 C ATOM 598 C PRO A 56 0.256 -6.099 -6.763 1.00 0.00 C ATOM 599 O PRO A 56 1.461 -6.248 -6.805 1.00 0.00 O ATOM 600 CB PRO A 56 -0.591 -7.574 -8.638 1.00 0.00 C ATOM 601 CG PRO A 56 0.480 -7.529 -9.678 1.00 0.00 C ATOM 602 CD PRO A 56 0.538 -6.108 -10.187 1.00 0.00 C ATOM 0 HA PRO A 56 -1.605 -5.877 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.379 -8.334 -7.886 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.558 -7.821 -9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.440 -7.828 -9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.259 -8.221 -10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.560 -5.805 -10.413 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.040 -5.987 -11.103 1.00 0.00 H new ATOM 610 N LYS A 57 -0.361 -5.847 -5.645 1.00 0.00 N ATOM 611 CA LYS A 57 0.405 -5.738 -4.370 1.00 0.00 C ATOM 612 C LYS A 57 1.494 -6.811 -4.301 1.00 0.00 C ATOM 613 O LYS A 57 2.535 -6.602 -3.723 1.00 0.00 O ATOM 614 CB LYS A 57 -0.619 -5.958 -3.251 1.00 0.00 C ATOM 615 CG LYS A 57 -1.869 -5.115 -3.510 1.00 0.00 C ATOM 616 CD LYS A 57 -3.008 -6.024 -3.974 1.00 0.00 C ATOM 617 CE LYS A 57 -3.652 -6.696 -2.759 1.00 0.00 C ATOM 618 NZ LYS A 57 -2.825 -7.910 -2.507 1.00 0.00 N ATOM 0 H LYS A 57 -1.368 -5.711 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 57 0.900 -4.771 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.887 -7.013 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.182 -5.689 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.158 -4.586 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.661 -4.359 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.752 -5.443 -4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.628 -6.779 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.652 -6.032 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.691 -6.960 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.415 -8.647 -2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.441 -8.261 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.042 -7.670 -1.867 1.00 0.00 H new ATOM 632 N LYS A 58 1.253 -7.957 -4.877 1.00 0.00 N ATOM 633 CA LYS A 58 2.272 -9.054 -4.829 1.00 0.00 C ATOM 634 C LYS A 58 3.431 -8.766 -5.789 1.00 0.00 C ATOM 635 O LYS A 58 4.513 -9.307 -5.661 1.00 0.00 O ATOM 636 CB LYS A 58 1.508 -10.304 -5.272 1.00 0.00 C ATOM 637 CG LYS A 58 2.277 -11.561 -4.855 1.00 0.00 C ATOM 638 CD LYS A 58 1.771 -12.755 -5.670 1.00 0.00 C ATOM 639 CE LYS A 58 2.164 -14.060 -4.973 1.00 0.00 C ATOM 640 NZ LYS A 58 3.461 -14.450 -5.591 1.00 0.00 N ATOM 0 H LYS A 58 0.395 -8.185 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 58 2.714 -9.162 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.514 -10.310 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.371 -10.293 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.345 -11.420 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.141 -11.749 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.688 -12.701 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.193 -12.727 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.266 -13.918 -3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.408 -14.831 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.796 -15.337 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.331 -14.585 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.163 -13.700 -5.427 1.00 0.00 H new ATOM 654 N GLU A 59 3.223 -7.902 -6.736 1.00 0.00 N ATOM 655 CA GLU A 59 4.315 -7.575 -7.697 1.00 0.00 C ATOM 656 C GLU A 59 5.161 -6.467 -7.110 1.00 0.00 C ATOM 657 O GLU A 59 6.374 -6.499 -7.155 1.00 0.00 O ATOM 658 CB GLU A 59 3.619 -7.109 -8.975 1.00 0.00 C ATOM 659 CG GLU A 59 4.619 -6.354 -9.855 1.00 0.00 C ATOM 660 CD GLU A 59 4.289 -6.597 -11.328 1.00 0.00 C ATOM 661 OE1 GLU A 59 3.113 -6.652 -11.649 1.00 0.00 O ATOM 662 OE2 GLU A 59 5.217 -6.725 -12.109 1.00 0.00 O ATOM 0 H GLU A 59 2.345 -7.406 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 59 4.967 -8.424 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.217 -7.966 -9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.776 -6.464 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.581 -5.287 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.634 -6.688 -9.639 1.00 0.00 H new ATOM 669 N LEU A 60 4.531 -5.502 -6.523 1.00 0.00 N ATOM 670 CA LEU A 60 5.295 -4.418 -5.896 1.00 0.00 C ATOM 671 C LEU A 60 6.108 -5.036 -4.761 1.00 0.00 C ATOM 672 O LEU A 60 7.317 -5.071 -4.807 1.00 0.00 O ATOM 673 CB LEU A 60 4.221 -3.445 -5.392 1.00 0.00 C ATOM 674 CG LEU A 60 4.642 -2.845 -4.056 1.00 0.00 C ATOM 675 CD1 LEU A 60 6.016 -2.185 -4.213 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.609 -1.806 -3.615 1.00 0.00 C ATOM 0 H LEU A 60 3.517 -5.421 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 60 5.995 -3.900 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.067 -2.651 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.270 -3.966 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 60 4.702 -3.628 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.323 -1.753 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.745 -2.933 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.958 -1.399 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.910 -1.377 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.545 -1.016 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.635 -2.284 -3.508 1.00 0.00 H new ATOM 688 N ILE A 61 5.451 -5.540 -3.754 1.00 0.00 N ATOM 689 CA ILE A 61 6.194 -6.167 -2.633 1.00 0.00 C ATOM 690 C ILE A 61 7.279 -7.061 -3.201 1.00 0.00 C ATOM 691 O ILE A 61 8.324 -7.240 -2.608 1.00 0.00 O ATOM 692 CB ILE A 61 5.164 -6.983 -1.885 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.489 -7.942 -2.868 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.133 -6.035 -1.267 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.282 -9.251 -2.928 1.00 0.00 C ATOM 0 H ILE A 61 4.435 -5.544 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 61 6.674 -5.439 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 61 5.634 -7.561 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.464 -8.139 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.438 -7.489 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.385 -6.614 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.632 -5.353 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.646 -5.462 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.802 -9.935 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.299 -9.045 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.310 -9.705 -1.938 1.00 0.00 H new ATOM 707 N ASN A 62 7.058 -7.600 -4.371 1.00 0.00 N ATOM 708 CA ASN A 62 8.107 -8.445 -4.984 1.00 0.00 C ATOM 709 C ASN A 62 9.456 -7.733 -4.853 1.00 0.00 C ATOM 710 O ASN A 62 10.493 -8.356 -4.921 1.00 0.00 O ATOM 711 CB ASN A 62 7.710 -8.585 -6.453 1.00 0.00 C ATOM 712 CG ASN A 62 8.359 -9.840 -7.038 1.00 0.00 C ATOM 713 OD1 ASN A 62 7.984 -10.946 -6.702 1.00 0.00 O ATOM 714 ND2 ASN A 62 9.327 -9.714 -7.902 1.00 0.00 N ATOM 0 H ASN A 62 6.204 -7.490 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 62 8.197 -9.421 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.626 -8.647 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.026 -7.704 -7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.770 -10.544 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.641 -8.785 -8.184 1.00 0.00 H new ATOM 721 N ILE A 63 9.452 -6.425 -4.662 1.00 0.00 N ATOM 722 CA ILE A 63 10.732 -5.686 -4.518 1.00 0.00 C ATOM 723 C ILE A 63 11.637 -6.361 -3.477 1.00 0.00 C ATOM 724 O ILE A 63 12.151 -7.440 -3.692 1.00 0.00 O ATOM 725 CB ILE A 63 10.306 -4.287 -4.076 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.261 -4.374 -2.938 1.00 0.00 C ATOM 727 CG2 ILE A 63 9.726 -3.547 -5.284 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.550 -3.032 -2.753 1.00 0.00 C ATOM 0 H ILE A 63 8.612 -5.850 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 63 11.315 -5.663 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 63 11.170 -3.743 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.530 -5.150 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.752 -4.663 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.417 -2.546 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.484 -3.474 -6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.864 -4.093 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.820 -3.115 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.282 -2.264 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.042 -2.759 -3.678 1.00 0.00 H new ATOM 740 N LYS A 64 11.847 -5.742 -2.354 1.00 0.00 N ATOM 741 CA LYS A 64 12.719 -6.370 -1.324 1.00 0.00 C ATOM 742 C LYS A 64 12.328 -7.839 -1.158 1.00 0.00 C ATOM 743 O LYS A 64 13.134 -8.672 -0.793 1.00 0.00 O ATOM 744 CB LYS A 64 12.453 -5.592 -0.036 1.00 0.00 C ATOM 745 CG LYS A 64 13.566 -5.883 0.970 1.00 0.00 C ATOM 746 CD LYS A 64 14.886 -5.316 0.447 1.00 0.00 C ATOM 747 CE LYS A 64 15.471 -4.354 1.483 1.00 0.00 C ATOM 748 NZ LYS A 64 16.875 -4.808 1.681 1.00 0.00 N ATOM 0 H LYS A 64 11.456 -4.834 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 64 13.775 -6.339 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.407 -4.523 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.487 -5.876 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.324 -5.438 1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.656 -6.958 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.589 -6.125 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.723 -4.796 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.436 -3.324 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.909 -4.390 2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.343 -4.196 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.877 -5.790 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.387 -4.756 0.777 1.00 0.00 H new ATOM 762 N GLY A 65 11.094 -8.161 -1.432 1.00 0.00 N ATOM 763 CA GLY A 65 10.647 -9.574 -1.301 1.00 0.00 C ATOM 764 C GLY A 65 9.509 -9.670 -0.284 1.00 0.00 C ATOM 765 O GLY A 65 9.356 -10.672 0.387 1.00 0.00 O ATOM 0 H GLY A 65 10.376 -7.505 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.314 -9.950 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.481 -10.200 -0.986 1.00 0.00 H new ATOM 769 N ILE A 66 8.707 -8.645 -0.151 1.00 0.00 N ATOM 770 CA ILE A 66 7.597 -8.713 0.834 1.00 0.00 C ATOM 771 C ILE A 66 6.362 -9.386 0.212 1.00 0.00 C ATOM 772 O ILE A 66 6.465 -10.358 -0.509 1.00 0.00 O ATOM 773 CB ILE A 66 7.261 -7.267 1.225 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.498 -6.362 1.152 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.740 -7.269 2.654 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.380 -5.428 -0.055 1.00 0.00 C ATOM 0 H ILE A 66 8.774 -7.774 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 66 7.891 -9.301 1.703 1.00 0.00 H new ATOM 0 HB ILE A 66 6.516 -6.881 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.589 -5.779 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.400 -6.968 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.495 -6.250 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.846 -7.890 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.505 -7.668 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.259 -4.786 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.310 -6.020 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.486 -4.812 0.047 1.00 0.00 H new ATOM 788 N SER A 67 5.198 -8.861 0.498 1.00 0.00 N ATOM 789 CA SER A 67 3.925 -9.423 -0.044 1.00 0.00 C ATOM 790 C SER A 67 2.773 -8.779 0.726 1.00 0.00 C ATOM 791 O SER A 67 2.765 -7.581 0.948 1.00 0.00 O ATOM 792 CB SER A 67 3.995 -10.929 0.226 1.00 0.00 C ATOM 793 OG SER A 67 2.702 -11.495 0.068 1.00 0.00 O ATOM 0 H SER A 67 5.075 -8.046 1.099 1.00 0.00 H new ATOM 0 HA SER A 67 3.778 -9.234 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.697 -11.401 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.364 -11.112 1.235 1.00 0.00 H new ATOM 0 HG SER A 67 2.744 -12.459 0.238 1.00 0.00 H new ATOM 799 N GLU A 68 1.823 -9.546 1.176 1.00 0.00 N ATOM 800 CA GLU A 68 0.722 -8.941 1.964 1.00 0.00 C ATOM 801 C GLU A 68 1.329 -8.217 3.172 1.00 0.00 C ATOM 802 O GLU A 68 0.691 -7.406 3.814 1.00 0.00 O ATOM 803 CB GLU A 68 -0.154 -10.117 2.406 1.00 0.00 C ATOM 804 CG GLU A 68 -1.451 -10.118 1.592 1.00 0.00 C ATOM 805 CD GLU A 68 -2.470 -11.055 2.243 1.00 0.00 C ATOM 806 OE1 GLU A 68 -2.147 -11.629 3.269 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.558 -11.181 1.704 1.00 0.00 O ATOM 0 H GLU A 68 1.762 -10.554 1.034 1.00 0.00 H new ATOM 0 HA GLU A 68 0.137 -8.214 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.379 -11.057 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.379 -10.038 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.856 -9.108 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.250 -10.438 0.570 1.00 0.00 H new ATOM 814 N ALA A 69 2.568 -8.515 3.485 1.00 0.00 N ATOM 815 CA ALA A 69 3.233 -7.858 4.646 1.00 0.00 C ATOM 816 C ALA A 69 2.918 -6.363 4.680 1.00 0.00 C ATOM 817 O ALA A 69 2.067 -5.914 5.425 1.00 0.00 O ATOM 818 CB ALA A 69 4.728 -8.080 4.423 1.00 0.00 C ATOM 0 H ALA A 69 3.146 -9.188 2.982 1.00 0.00 H new ATOM 0 HA ALA A 69 2.890 -8.270 5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.289 -7.624 5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.936 -9.149 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.026 -7.625 3.478 1.00 0.00 H new ATOM 824 N LYS A 70 3.595 -5.587 3.884 1.00 0.00 N ATOM 825 CA LYS A 70 3.337 -4.124 3.878 1.00 0.00 C ATOM 826 C LYS A 70 2.201 -3.797 2.908 1.00 0.00 C ATOM 827 O LYS A 70 1.339 -2.996 3.202 1.00 0.00 O ATOM 828 CB LYS A 70 4.652 -3.486 3.417 1.00 0.00 C ATOM 829 CG LYS A 70 5.833 -4.223 4.061 1.00 0.00 C ATOM 830 CD LYS A 70 5.556 -4.436 5.556 1.00 0.00 C ATOM 831 CE LYS A 70 6.670 -5.289 6.169 1.00 0.00 C ATOM 832 NZ LYS A 70 6.072 -5.875 7.401 1.00 0.00 N ATOM 0 H LYS A 70 4.317 -5.904 3.237 1.00 0.00 H new ATOM 0 HA LYS A 70 3.034 -3.751 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.730 -3.532 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.673 -2.432 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.987 -5.184 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.749 -3.647 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.498 -3.474 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.592 -4.927 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.996 -6.068 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.546 -4.685 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.776 -6.474 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.777 -5.110 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.244 -6.451 7.145 1.00 0.00 H new ATOM 846 N ALA A 71 2.180 -4.414 1.758 1.00 0.00 N ATOM 847 CA ALA A 71 1.075 -4.118 0.800 1.00 0.00 C ATOM 848 C ALA A 71 -0.273 -4.222 1.517 1.00 0.00 C ATOM 849 O ALA A 71 -0.993 -3.252 1.650 1.00 0.00 O ATOM 850 CB ALA A 71 1.183 -5.179 -0.292 1.00 0.00 C ATOM 0 H ALA A 71 2.867 -5.099 1.443 1.00 0.00 H new ATOM 0 HA ALA A 71 1.148 -3.112 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.398 -5.021 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.157 -5.106 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.070 -6.169 0.150 1.00 0.00 H new ATOM 856 N ASP A 72 -0.614 -5.389 1.991 1.00 0.00 N ATOM 857 CA ASP A 72 -1.911 -5.546 2.708 1.00 0.00 C ATOM 858 C ASP A 72 -1.944 -4.615 3.921 1.00 0.00 C ATOM 859 O ASP A 72 -2.945 -3.990 4.208 1.00 0.00 O ATOM 860 CB ASP A 72 -1.951 -7.010 3.147 1.00 0.00 C ATOM 861 CG ASP A 72 -3.340 -7.589 2.876 1.00 0.00 C ATOM 862 OD1 ASP A 72 -3.835 -7.402 1.775 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.887 -8.210 3.772 1.00 0.00 O ATOM 0 H ASP A 72 -0.053 -6.237 1.913 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.768 -5.292 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.196 -7.582 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.714 -7.089 4.208 1.00 0.00 H new ATOM 868 N LYS A 73 -0.855 -4.512 4.632 1.00 0.00 N ATOM 869 CA LYS A 73 -0.829 -3.613 5.818 1.00 0.00 C ATOM 870 C LYS A 73 -1.447 -2.261 5.454 1.00 0.00 C ATOM 871 O LYS A 73 -2.059 -1.607 6.273 1.00 0.00 O ATOM 872 CB LYS A 73 0.649 -3.451 6.167 1.00 0.00 C ATOM 873 CG LYS A 73 0.800 -2.384 7.253 1.00 0.00 C ATOM 874 CD LYS A 73 1.107 -3.062 8.590 1.00 0.00 C ATOM 875 CE LYS A 73 -0.201 -3.488 9.259 1.00 0.00 C ATOM 876 NZ LYS A 73 0.091 -4.818 9.859 1.00 0.00 N ATOM 0 H LYS A 73 0.015 -5.010 4.443 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.398 -4.014 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.058 -4.400 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.214 -3.166 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.601 -1.693 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.115 -1.797 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.746 -3.931 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.654 -2.378 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.508 -2.770 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.013 -3.551 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.760 -5.177 10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.374 -5.482 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.863 -4.725 10.549 1.00 0.00 H new ATOM 890 N ILE A 74 -1.297 -1.842 4.226 1.00 0.00 N ATOM 891 CA ILE A 74 -1.886 -0.538 3.811 1.00 0.00 C ATOM 892 C ILE A 74 -3.391 -0.714 3.582 1.00 0.00 C ATOM 893 O ILE A 74 -4.198 0.069 4.043 1.00 0.00 O ATOM 894 CB ILE A 74 -1.145 -0.166 2.513 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.061 0.865 2.832 1.00 0.00 C ATOM 896 CG2 ILE A 74 -2.111 0.431 1.482 1.00 0.00 C ATOM 897 CD1 ILE A 74 -0.716 2.203 3.178 1.00 0.00 C ATOM 0 H ILE A 74 -0.794 -2.345 3.495 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.775 0.247 4.559 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.702 -1.070 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.549 0.520 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.605 0.984 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.563 0.685 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.887 -0.298 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.571 1.330 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.056 2.938 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.308 2.549 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.364 2.077 4.045 1.00 0.00 H new ATOM 909 N LEU A 75 -3.768 -1.744 2.876 1.00 0.00 N ATOM 910 CA LEU A 75 -5.214 -1.984 2.616 1.00 0.00 C ATOM 911 C LEU A 75 -5.985 -2.041 3.939 1.00 0.00 C ATOM 912 O LEU A 75 -7.185 -1.855 3.978 1.00 0.00 O ATOM 913 CB LEU A 75 -5.263 -3.339 1.908 1.00 0.00 C ATOM 914 CG LEU A 75 -5.997 -3.194 0.575 1.00 0.00 C ATOM 915 CD1 LEU A 75 -5.025 -2.680 -0.489 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.545 -4.557 0.143 1.00 0.00 C ATOM 0 H LEU A 75 -3.135 -2.431 2.467 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.667 -1.193 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.252 -3.710 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.770 -4.071 2.536 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.820 -2.489 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.548 -2.576 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.631 -1.711 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.203 -3.386 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.069 -4.454 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.721 -5.261 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.236 -4.928 0.900 1.00 0.00 H new ATOM 928 N ALA A 76 -5.302 -2.300 5.021 1.00 0.00 N ATOM 929 CA ALA A 76 -5.993 -2.372 6.341 1.00 0.00 C ATOM 930 C ALA A 76 -6.108 -0.976 6.956 1.00 0.00 C ATOM 931 O ALA A 76 -7.129 -0.609 7.504 1.00 0.00 O ATOM 932 CB ALA A 76 -5.101 -3.264 7.204 1.00 0.00 C ATOM 0 H ALA A 76 -4.296 -2.465 5.048 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.006 -2.765 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.541 -3.368 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.013 -4.247 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.112 -2.814 7.291 1.00 0.00 H new ATOM 938 N GLU A 77 -5.067 -0.194 6.873 1.00 0.00 N ATOM 939 CA GLU A 77 -5.117 1.178 7.453 1.00 0.00 C ATOM 940 C GLU A 77 -5.801 2.141 6.479 1.00 0.00 C ATOM 941 O GLU A 77 -6.355 3.148 6.873 1.00 0.00 O ATOM 942 CB GLU A 77 -3.656 1.576 7.657 1.00 0.00 C ATOM 943 CG GLU A 77 -2.990 0.601 8.630 1.00 0.00 C ATOM 944 CD GLU A 77 -2.406 1.378 9.811 1.00 0.00 C ATOM 945 OE1 GLU A 77 -1.983 2.504 9.603 1.00 0.00 O ATOM 946 OE2 GLU A 77 -2.391 0.836 10.903 1.00 0.00 O ATOM 0 H GLU A 77 -4.184 -0.446 6.429 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.684 1.210 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.130 1.569 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.596 2.592 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.718 -0.129 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.202 0.045 8.122 1.00 0.00 H new ATOM 953 N ALA A 78 -5.761 1.842 5.210 1.00 0.00 N ATOM 954 CA ALA A 78 -6.402 2.743 4.210 1.00 0.00 C ATOM 955 C ALA A 78 -7.883 2.388 4.036 1.00 0.00 C ATOM 956 O ALA A 78 -8.717 3.248 3.836 1.00 0.00 O ATOM 957 CB ALA A 78 -5.630 2.500 2.913 1.00 0.00 C ATOM 0 H ALA A 78 -5.312 1.012 4.822 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.369 3.789 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.041 3.128 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.579 2.747 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.719 1.452 2.627 1.00 0.00 H new ATOM 963 N ALA A 79 -8.216 1.128 4.108 1.00 0.00 N ATOM 964 CA ALA A 79 -9.644 0.729 3.943 1.00 0.00 C ATOM 965 C ALA A 79 -10.383 0.832 5.280 1.00 0.00 C ATOM 966 O ALA A 79 -11.597 0.841 5.329 1.00 0.00 O ATOM 967 CB ALA A 79 -9.598 -0.723 3.468 1.00 0.00 C ATOM 0 H ALA A 79 -7.565 0.360 4.273 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.172 1.372 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.614 -1.091 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.053 -0.780 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.094 -1.335 4.216 1.00 0.00 H new ATOM 973 N LYS A 80 -9.661 0.907 6.364 1.00 0.00 N ATOM 974 CA LYS A 80 -10.325 1.006 7.695 1.00 0.00 C ATOM 975 C LYS A 80 -10.086 2.387 8.310 1.00 0.00 C ATOM 976 O LYS A 80 -10.665 2.733 9.321 1.00 0.00 O ATOM 977 CB LYS A 80 -9.664 -0.081 8.546 1.00 0.00 C ATOM 978 CG LYS A 80 -10.632 -0.534 9.643 1.00 0.00 C ATOM 979 CD LYS A 80 -9.866 -1.329 10.703 1.00 0.00 C ATOM 980 CE LYS A 80 -10.203 -0.784 12.094 1.00 0.00 C ATOM 981 NZ LYS A 80 -9.448 0.495 12.200 1.00 0.00 N ATOM 0 H LYS A 80 -8.641 0.904 6.386 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.405 0.875 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.386 -0.929 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.746 0.300 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.112 0.332 10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.423 -1.148 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.129 -2.385 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.793 -1.256 10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.275 -0.620 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.905 -1.484 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.811 0.455 13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.889 0.641 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.116 1.284 12.318 1.00 0.00 H new ATOM 995 N LEU A 81 -9.234 3.178 7.717 1.00 0.00 N ATOM 996 CA LEU A 81 -8.961 4.531 8.286 1.00 0.00 C ATOM 997 C LEU A 81 -8.950 5.602 7.186 1.00 0.00 C ATOM 998 O LEU A 81 -8.868 6.781 7.466 1.00 0.00 O ATOM 999 CB LEU A 81 -7.581 4.413 8.930 1.00 0.00 C ATOM 1000 CG LEU A 81 -7.586 5.130 10.282 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -7.520 4.096 11.408 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -6.372 6.060 10.376 1.00 0.00 C ATOM 0 H LEU A 81 -8.717 2.949 6.868 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.728 4.833 8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.319 3.363 9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.825 4.850 8.278 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.500 5.716 10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.524 4.606 12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.384 3.434 11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.606 3.510 11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.378 6.569 11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.457 5.475 10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.416 6.798 9.575 1.00 0.00 H new ATOM 1014 N VAL A 82 -9.025 5.211 5.942 1.00 0.00 N ATOM 1015 CA VAL A 82 -9.011 6.227 4.847 1.00 0.00 C ATOM 1016 C VAL A 82 -10.170 5.991 3.875 1.00 0.00 C ATOM 1017 O VAL A 82 -9.969 5.891 2.681 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.670 6.029 4.141 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -7.617 6.906 2.889 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.535 6.424 5.088 1.00 0.00 C ATOM 0 H VAL A 82 -9.095 4.240 5.637 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.128 7.241 5.230 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.560 4.983 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.660 6.764 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.427 6.627 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.726 7.953 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.577 6.284 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.646 7.470 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.572 5.800 5.981 1.00 0.00 H new