USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 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 18 ASN : amide:sc= -1.84 K(o=-1.6,f=-2.9!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 16 MET CE :methyl 173:sc= -0.391 (180deg=-0.469) USER MOD Single : A 34 SER OG : rot 180:sc= -0.402 USER MOD Single : A 36 ASN : amide:sc=-0.00574 X(o=-0.0057,f=-0.12) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 75:sc= 0.123 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-3.2) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.325 K(o=-0.33,f=-2.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 161:sc= -5.08 (180deg=-7.07!) USER MOD Single : A 94 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.665 -9.798 -0.425 1.00 0.00 N ATOM 123 CA VAL A 12 -12.278 -10.101 -0.736 1.00 0.00 C ATOM 124 C VAL A 12 -11.991 -11.565 -0.395 1.00 0.00 C ATOM 125 O VAL A 12 -12.395 -12.051 0.660 1.00 0.00 O ATOM 126 CB VAL A 12 -11.353 -9.125 -0.006 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.884 -9.460 -0.272 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.665 -7.679 -0.395 1.00 0.00 C ATOM 0 HA VAL A 12 -12.089 -9.972 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.532 -9.230 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.247 -8.752 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.672 -10.470 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.684 -9.397 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.993 -7.006 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.528 -7.553 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.697 -7.446 -0.131 1.00 0.00 H new ATOM 138 N PRO A 13 -11.278 -12.244 -1.333 1.00 0.00 N ATOM 139 CA PRO A 13 -10.933 -13.643 -1.142 1.00 0.00 C ATOM 140 C PRO A 13 -9.802 -13.794 -0.122 1.00 0.00 C ATOM 141 O PRO A 13 -9.403 -12.822 0.516 1.00 0.00 O ATOM 142 CB PRO A 13 -10.556 -14.147 -2.526 1.00 0.00 C ATOM 143 CG PRO A 13 -10.256 -12.908 -3.354 1.00 0.00 C ATOM 144 CD PRO A 13 -10.783 -11.701 -2.594 1.00 0.00 C ATOM 0 HA PRO A 13 -11.756 -14.227 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.688 -14.805 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.369 -14.724 -2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.184 -12.813 -3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.730 -12.979 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.997 -10.964 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.577 -11.200 -3.148 1.00 0.00 H new ATOM 152 N ALA A 14 -9.318 -15.022 -0.001 1.00 0.00 N ATOM 153 CA ALA A 14 -8.242 -15.313 0.931 1.00 0.00 C ATOM 154 C ALA A 14 -6.959 -15.598 0.147 1.00 0.00 C ATOM 155 O ALA A 14 -5.950 -15.997 0.726 1.00 0.00 O ATOM 156 CB ALA A 14 -8.648 -16.482 1.831 1.00 0.00 C ATOM 0 H ALA A 14 -9.651 -15.826 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.051 -14.456 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.841 -16.700 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.548 -16.218 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.845 -17.362 1.218 1.00 0.00 H new ATOM 162 N ASP A 15 -7.040 -15.383 -1.157 1.00 0.00 N ATOM 163 CA ASP A 15 -5.898 -15.611 -2.026 1.00 0.00 C ATOM 164 C ASP A 15 -5.353 -14.266 -2.510 1.00 0.00 C ATOM 165 O ASP A 15 -4.191 -14.168 -2.901 1.00 0.00 O ATOM 166 CB ASP A 15 -6.296 -16.431 -3.255 1.00 0.00 C ATOM 167 CG ASP A 15 -5.260 -17.461 -3.709 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.093 -17.317 -3.286 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.660 -18.370 -4.469 1.00 0.00 O ATOM 0 H ASP A 15 -7.879 -15.053 -1.634 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.145 -16.157 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.231 -16.949 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.493 -15.747 -4.081 1.00 0.00 H new ATOM 174 N MET A 16 -6.218 -13.264 -2.469 1.00 0.00 N ATOM 175 CA MET A 16 -5.839 -11.929 -2.899 1.00 0.00 C ATOM 176 C MET A 16 -5.701 -10.986 -1.702 1.00 0.00 C ATOM 177 O MET A 16 -6.074 -11.338 -0.583 1.00 0.00 O ATOM 178 CB MET A 16 -6.895 -11.382 -3.861 1.00 0.00 C ATOM 179 CG MET A 16 -7.014 -12.265 -5.105 1.00 0.00 C ATOM 180 SD MET A 16 -7.540 -11.285 -6.501 1.00 0.00 S ATOM 181 CE MET A 16 -5.995 -10.503 -6.931 1.00 0.00 C ATOM 0 H MET A 16 -7.181 -13.350 -2.144 1.00 0.00 H new ATOM 0 HA MET A 16 -4.874 -11.991 -3.403 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.859 -11.328 -3.356 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.632 -10.366 -4.156 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.054 -12.735 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.728 -13.068 -4.924 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.114 -9.949 -7.862 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.700 -9.818 -6.136 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.225 -11.264 -7.058 1.00 0.00 H new ATOM 191 N ILE A 17 -5.164 -9.806 -1.977 1.00 0.00 N ATOM 192 CA ILE A 17 -4.973 -8.810 -0.937 1.00 0.00 C ATOM 193 C ILE A 17 -5.625 -7.495 -1.369 1.00 0.00 C ATOM 194 O ILE A 17 -5.291 -6.948 -2.419 1.00 0.00 O ATOM 195 CB ILE A 17 -3.489 -8.675 -0.591 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.923 -10.000 -0.074 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.257 -7.530 0.397 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.512 -10.241 -0.612 1.00 0.00 C ATOM 0 H ILE A 17 -4.855 -9.518 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.465 -9.123 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.948 -8.427 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.904 -9.991 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.575 -10.820 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.194 -7.457 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.599 -6.594 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.813 -7.723 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.134 -11.189 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.539 -10.274 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.857 -9.432 -0.290 1.00 0.00 H new ATOM 210 N ASN A 18 -6.544 -7.027 -0.538 1.00 0.00 N ATOM 211 CA ASN A 18 -7.247 -5.787 -0.821 1.00 0.00 C ATOM 212 C ASN A 18 -6.377 -4.603 -0.392 1.00 0.00 C ATOM 213 O ASN A 18 -5.914 -4.549 0.747 1.00 0.00 O ATOM 214 CB ASN A 18 -8.564 -5.710 -0.047 1.00 0.00 C ATOM 215 CG ASN A 18 -9.659 -5.054 -0.891 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.743 -5.234 -2.094 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.490 -4.284 -0.194 1.00 0.00 N ATOM 0 H ASN A 18 -6.818 -7.484 0.332 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.455 -5.755 -1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.877 -6.712 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.418 -5.141 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.255 -3.801 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.363 -4.177 0.812 1.00 0.00 H new ATOM 224 N LEU A 19 -6.180 -3.685 -1.326 1.00 0.00 N ATOM 225 CA LEU A 19 -5.374 -2.506 -1.058 1.00 0.00 C ATOM 226 C LEU A 19 -6.249 -1.256 -1.182 1.00 0.00 C ATOM 227 O LEU A 19 -7.110 -1.181 -2.057 1.00 0.00 O ATOM 228 CB LEU A 19 -4.140 -2.484 -1.962 1.00 0.00 C ATOM 229 CG LEU A 19 -2.970 -3.366 -1.520 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.213 -2.729 -0.353 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.445 -4.783 -1.191 1.00 0.00 C ATOM 0 H LEU A 19 -6.565 -3.733 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.993 -2.529 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.442 -2.790 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.786 -1.456 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.270 -3.446 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.387 -3.376 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.822 -1.759 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.890 -2.598 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.594 -5.389 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.177 -4.743 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.903 -5.228 -2.075 1.00 0.00 H new ATOM 243 N ARG A 20 -5.997 -0.306 -0.293 1.00 0.00 N ATOM 244 CA ARG A 20 -6.751 0.936 -0.292 1.00 0.00 C ATOM 245 C ARG A 20 -5.891 2.079 -0.834 1.00 0.00 C ATOM 246 O ARG A 20 -4.965 2.536 -0.164 1.00 0.00 O ATOM 247 CB ARG A 20 -7.228 1.289 1.118 1.00 0.00 C ATOM 248 CG ARG A 20 -8.754 1.236 1.210 1.00 0.00 C ATOM 249 CD ARG A 20 -9.235 1.664 2.598 1.00 0.00 C ATOM 250 NE ARG A 20 -10.675 1.359 2.751 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.402 1.684 3.829 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.827 2.326 4.855 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.703 1.367 3.881 1.00 0.00 N ATOM 0 H ARG A 20 -5.282 -0.372 0.431 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.621 0.797 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.792 0.595 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.878 2.286 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.190 1.888 0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.100 0.224 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.661 1.146 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.064 2.731 2.738 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.144 0.871 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.837 2.567 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.380 2.574 5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.140 0.878 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.256 1.615 4.702 1.00 0.00 H new ATOM 267 N LEU A 21 -6.226 2.509 -2.041 1.00 0.00 N ATOM 268 CA LEU A 21 -5.496 3.590 -2.681 1.00 0.00 C ATOM 269 C LEU A 21 -6.079 4.931 -2.229 1.00 0.00 C ATOM 270 O LEU A 21 -7.295 5.110 -2.218 1.00 0.00 O ATOM 271 CB LEU A 21 -5.485 3.405 -4.199 1.00 0.00 C ATOM 272 CG LEU A 21 -4.628 2.253 -4.729 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.196 2.717 -5.005 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.669 1.057 -3.776 1.00 0.00 C ATOM 0 H LEU A 21 -6.994 2.128 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.450 3.577 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.511 3.252 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.136 4.331 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.048 1.923 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.608 1.879 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.209 3.514 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.750 3.089 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.052 0.252 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.287 1.356 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.697 0.709 -3.673 1.00 0.00 H new ATOM 286 N ILE A 22 -5.183 5.837 -1.867 1.00 0.00 N ATOM 287 CA ILE A 22 -5.593 7.156 -1.415 1.00 0.00 C ATOM 288 C ILE A 22 -4.618 8.202 -1.957 1.00 0.00 C ATOM 289 O ILE A 22 -3.478 8.288 -1.503 1.00 0.00 O ATOM 290 CB ILE A 22 -5.737 7.180 0.108 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.646 6.048 0.590 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.220 8.549 0.591 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.754 6.044 2.117 1.00 0.00 C ATOM 0 H ILE A 22 -4.175 5.684 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.579 7.404 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.754 7.012 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.638 6.161 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.254 5.091 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.314 8.539 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.501 9.313 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.189 8.771 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.406 5.230 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.764 5.906 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.169 6.993 2.455 1.00 0.00 H new ATOM 416 N GLU A 30 -10.391 0.728 -3.479 1.00 0.00 N ATOM 417 CA GLU A 30 -10.043 -0.638 -3.127 1.00 0.00 C ATOM 418 C GLU A 30 -9.656 -1.426 -4.380 1.00 0.00 C ATOM 419 O GLU A 30 -10.352 -1.371 -5.392 1.00 0.00 O ATOM 420 CB GLU A 30 -11.191 -1.322 -2.382 1.00 0.00 C ATOM 421 CG GLU A 30 -11.691 -0.450 -1.228 1.00 0.00 C ATOM 422 CD GLU A 30 -13.071 -0.910 -0.753 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.313 -2.135 -0.812 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.853 -0.026 -0.341 1.00 0.00 O ATOM 0 HA GLU A 30 -9.184 -0.612 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.010 -1.522 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.857 -2.285 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.984 -0.495 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.741 0.591 -1.548 1.00 0.00 H new ATOM 431 N PHE A 31 -8.546 -2.142 -4.271 1.00 0.00 N ATOM 432 CA PHE A 31 -8.059 -2.941 -5.382 1.00 0.00 C ATOM 433 C PHE A 31 -7.772 -4.378 -4.940 1.00 0.00 C ATOM 434 O PHE A 31 -8.045 -4.746 -3.799 1.00 0.00 O ATOM 435 CB PHE A 31 -6.755 -2.296 -5.858 1.00 0.00 C ATOM 436 CG PHE A 31 -6.954 -1.157 -6.859 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.086 -1.432 -8.185 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.999 0.131 -6.424 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.271 -0.374 -9.114 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.183 1.188 -7.354 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.316 0.914 -8.679 1.00 0.00 C ATOM 0 H PHE A 31 -7.970 -2.185 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.809 -2.976 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.213 -1.915 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.128 -3.062 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.050 -2.454 -8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.895 0.350 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.376 -0.592 -10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.217 2.211 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.457 1.718 -9.386 1.00 0.00 H new ATOM 451 N LEU A 32 -7.224 -5.150 -5.868 1.00 0.00 N ATOM 452 CA LEU A 32 -6.897 -6.538 -5.588 1.00 0.00 C ATOM 453 C LEU A 32 -5.522 -6.861 -6.176 1.00 0.00 C ATOM 454 O LEU A 32 -5.244 -6.538 -7.329 1.00 0.00 O ATOM 455 CB LEU A 32 -8.011 -7.461 -6.086 1.00 0.00 C ATOM 456 CG LEU A 32 -9.257 -7.545 -5.202 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.523 -7.685 -6.050 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.127 -8.674 -4.177 1.00 0.00 C ATOM 0 H LEU A 32 -6.999 -4.841 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.832 -6.706 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.315 -7.128 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.601 -8.465 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.344 -6.612 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.394 -7.743 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.618 -6.820 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.460 -8.592 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.026 -8.712 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.002 -9.624 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.260 -8.491 -3.542 1.00 0.00 H new ATOM 470 N PHE A 33 -4.698 -7.496 -5.355 1.00 0.00 N ATOM 471 CA PHE A 33 -3.359 -7.867 -5.779 1.00 0.00 C ATOM 472 C PHE A 33 -2.982 -9.253 -5.253 1.00 0.00 C ATOM 473 O PHE A 33 -3.729 -9.853 -4.483 1.00 0.00 O ATOM 474 CB PHE A 33 -2.400 -6.832 -5.186 1.00 0.00 C ATOM 475 CG PHE A 33 -2.631 -5.407 -5.693 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.525 -5.131 -7.020 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.945 -4.416 -4.815 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.740 -3.808 -7.490 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.160 -3.093 -5.285 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.053 -2.818 -6.613 1.00 0.00 C ATOM 0 H PHE A 33 -4.932 -7.763 -4.399 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.307 -7.894 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.498 -6.841 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.376 -7.127 -5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.277 -5.918 -7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.031 -4.635 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.655 -3.589 -8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.408 -2.306 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.217 -1.812 -6.971 1.00 0.00 H new ATOM 490 N SER A 34 -1.822 -9.722 -5.691 1.00 0.00 N ATOM 491 CA SER A 34 -1.337 -11.027 -5.275 1.00 0.00 C ATOM 492 C SER A 34 -0.093 -10.867 -4.399 1.00 0.00 C ATOM 493 O SER A 34 0.549 -9.818 -4.412 1.00 0.00 O ATOM 494 CB SER A 34 -1.025 -11.910 -6.485 1.00 0.00 C ATOM 495 OG SER A 34 0.195 -12.627 -6.322 1.00 0.00 O ATOM 0 H SER A 34 -1.204 -9.221 -6.330 1.00 0.00 H new ATOM 0 HA SER A 34 -2.121 -11.515 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.842 -12.615 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.965 -11.291 -7.380 1.00 0.00 H new ATOM 0 HG SER A 34 0.358 -13.180 -7.114 1.00 0.00 H new ATOM 501 N PRO A 35 0.218 -11.952 -3.640 1.00 0.00 N ATOM 502 CA PRO A 35 1.374 -11.942 -2.760 1.00 0.00 C ATOM 503 C PRO A 35 2.672 -12.085 -3.557 1.00 0.00 C ATOM 504 O PRO A 35 3.763 -12.002 -2.995 1.00 0.00 O ATOM 505 CB PRO A 35 1.142 -13.091 -1.792 1.00 0.00 C ATOM 506 CG PRO A 35 0.104 -13.987 -2.451 1.00 0.00 C ATOM 507 CD PRO A 35 -0.519 -13.211 -3.599 1.00 0.00 C ATOM 0 HA PRO A 35 1.484 -11.001 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.067 -13.637 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.787 -12.725 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.567 -14.903 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.659 -14.281 -1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.427 -13.754 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.583 -13.042 -3.431 1.00 0.00 H new ATOM 515 N ASN A 36 2.511 -12.299 -4.855 1.00 0.00 N ATOM 516 CA ASN A 36 3.656 -12.454 -5.736 1.00 0.00 C ATOM 517 C ASN A 36 3.910 -11.138 -6.473 1.00 0.00 C ATOM 518 O ASN A 36 5.024 -10.881 -6.927 1.00 0.00 O ATOM 519 CB ASN A 36 3.402 -13.541 -6.782 1.00 0.00 C ATOM 520 CG ASN A 36 3.202 -14.905 -6.119 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.958 -15.321 -5.256 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.145 -15.575 -6.569 1.00 0.00 N ATOM 0 H ASN A 36 1.605 -12.369 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 36 4.515 -12.734 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.520 -13.286 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.243 -13.589 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.926 -16.496 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.554 -15.168 -7.293 1.00 0.00 H new ATOM 529 N ASP A 37 2.858 -10.338 -6.569 1.00 0.00 N ATOM 530 CA ASP A 37 2.953 -9.054 -7.243 1.00 0.00 C ATOM 531 C ASP A 37 3.854 -8.122 -6.431 1.00 0.00 C ATOM 532 O ASP A 37 3.834 -8.149 -5.202 1.00 0.00 O ATOM 533 CB ASP A 37 1.578 -8.394 -7.366 1.00 0.00 C ATOM 534 CG ASP A 37 0.798 -8.755 -8.631 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.770 -9.962 -8.955 1.00 0.00 O ATOM 536 OD2 ASP A 37 0.247 -7.816 -9.246 1.00 0.00 O ATOM 0 H ASP A 37 1.936 -10.554 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 37 3.361 -9.225 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.980 -8.670 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.707 -7.312 -7.333 1.00 0.00 H new ATOM 541 N SER A 38 4.624 -7.320 -7.152 1.00 0.00 N ATOM 542 CA SER A 38 5.531 -6.381 -6.514 1.00 0.00 C ATOM 543 C SER A 38 4.932 -4.973 -6.542 1.00 0.00 C ATOM 544 O SER A 38 4.029 -4.694 -7.329 1.00 0.00 O ATOM 545 CB SER A 38 6.900 -6.388 -7.196 1.00 0.00 C ATOM 546 OG SER A 38 6.813 -6.034 -8.573 1.00 0.00 O ATOM 0 H SER A 38 4.638 -7.301 -8.172 1.00 0.00 H new ATOM 0 HA SER A 38 5.669 -6.690 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.563 -5.691 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.346 -7.378 -7.104 1.00 0.00 H new ATOM 0 HG SER A 38 7.708 -6.049 -8.972 1.00 0.00 H new ATOM 552 N ALA A 39 5.458 -4.123 -5.672 1.00 0.00 N ATOM 553 CA ALA A 39 4.987 -2.752 -5.587 1.00 0.00 C ATOM 554 C ALA A 39 4.769 -2.203 -6.999 1.00 0.00 C ATOM 555 O ALA A 39 3.730 -1.609 -7.285 1.00 0.00 O ATOM 556 CB ALA A 39 5.987 -1.916 -4.786 1.00 0.00 C ATOM 0 H ALA A 39 6.206 -4.358 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 39 4.032 -2.707 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.633 -0.887 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.084 -2.329 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.957 -1.936 -5.282 1.00 0.00 H new ATOM 562 N SER A 40 5.765 -2.423 -7.845 1.00 0.00 N ATOM 563 CA SER A 40 5.695 -1.958 -9.220 1.00 0.00 C ATOM 564 C SER A 40 4.344 -2.334 -9.832 1.00 0.00 C ATOM 565 O SER A 40 3.532 -1.462 -10.135 1.00 0.00 O ATOM 566 CB SER A 40 6.837 -2.539 -10.056 1.00 0.00 C ATOM 567 OG SER A 40 8.112 -2.273 -9.477 1.00 0.00 O ATOM 0 H SER A 40 6.625 -2.917 -7.605 1.00 0.00 H new ATOM 0 HA SER A 40 5.796 -0.873 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.702 -3.616 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.801 -2.119 -11.061 1.00 0.00 H new ATOM 0 HG SER A 40 8.250 -2.861 -8.705 1.00 0.00 H new ATOM 573 N ASP A 41 4.146 -3.634 -9.994 1.00 0.00 N ATOM 574 CA ASP A 41 2.908 -4.137 -10.564 1.00 0.00 C ATOM 575 C ASP A 41 1.731 -3.339 -10.000 1.00 0.00 C ATOM 576 O ASP A 41 0.889 -2.851 -10.753 1.00 0.00 O ATOM 577 CB ASP A 41 2.695 -5.609 -10.207 1.00 0.00 C ATOM 578 CG ASP A 41 2.879 -6.589 -11.368 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.708 -6.276 -12.249 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.186 -7.630 -11.347 1.00 0.00 O ATOM 0 H ASP A 41 4.822 -4.354 -9.740 1.00 0.00 H new ATOM 0 HA ASP A 41 2.970 -4.034 -11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.389 -5.878 -9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.688 -5.728 -9.807 1.00 0.00 H new ATOM 585 N ILE A 42 1.709 -3.230 -8.680 1.00 0.00 N ATOM 586 CA ILE A 42 0.649 -2.499 -8.007 1.00 0.00 C ATOM 587 C ILE A 42 0.604 -1.066 -8.541 1.00 0.00 C ATOM 588 O ILE A 42 -0.307 -0.706 -9.285 1.00 0.00 O ATOM 589 CB ILE A 42 0.821 -2.584 -6.489 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.788 -4.038 -6.013 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.219 -1.722 -5.770 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.081 -4.131 -4.515 1.00 0.00 C ATOM 0 H ILE A 42 2.408 -3.636 -8.058 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.320 -2.950 -8.221 1.00 0.00 H new ATOM 0 HB ILE A 42 1.803 -2.184 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.190 -4.471 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.522 -4.623 -6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.074 -1.800 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.105 -0.682 -6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.220 -2.068 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.051 -5.175 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.069 -3.719 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.331 -3.565 -3.962 1.00 0.00 H new ATOM 604 N ALA A 43 1.599 -0.288 -8.142 1.00 0.00 N ATOM 605 CA ALA A 43 1.685 1.097 -8.572 1.00 0.00 C ATOM 606 C ALA A 43 1.293 1.194 -10.048 1.00 0.00 C ATOM 607 O ALA A 43 0.478 2.035 -10.423 1.00 0.00 O ATOM 608 CB ALA A 43 3.095 1.628 -8.307 1.00 0.00 C ATOM 0 H ALA A 43 2.353 -0.591 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 43 0.991 1.718 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.159 2.667 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.313 1.565 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.819 1.031 -8.861 1.00 0.00 H new ATOM 614 N LYS A 44 1.891 0.321 -10.844 1.00 0.00 N ATOM 615 CA LYS A 44 1.615 0.297 -12.271 1.00 0.00 C ATOM 616 C LYS A 44 0.118 0.067 -12.492 1.00 0.00 C ATOM 617 O LYS A 44 -0.545 0.865 -13.152 1.00 0.00 O ATOM 618 CB LYS A 44 2.505 -0.730 -12.972 1.00 0.00 C ATOM 619 CG LYS A 44 3.096 -0.155 -14.261 1.00 0.00 C ATOM 620 CD LYS A 44 4.613 0.011 -14.143 1.00 0.00 C ATOM 621 CE LYS A 44 5.342 -1.224 -14.675 1.00 0.00 C ATOM 622 NZ LYS A 44 6.599 -0.832 -15.351 1.00 0.00 N ATOM 0 H LYS A 44 2.566 -0.376 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 44 1.861 1.258 -12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.310 -1.036 -12.303 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.924 -1.624 -13.201 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.863 -0.814 -15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.637 0.810 -14.477 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.930 0.893 -14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.884 0.177 -13.100 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.561 -1.906 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.699 -1.761 -15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.082 -1.682 -15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.382 -0.199 -16.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.218 -0.340 -14.675 1.00 0.00 H new ATOM 636 N HIS A 45 -0.369 -1.028 -11.928 1.00 0.00 N ATOM 637 CA HIS A 45 -1.775 -1.373 -12.055 1.00 0.00 C ATOM 638 C HIS A 45 -2.630 -0.118 -11.873 1.00 0.00 C ATOM 639 O HIS A 45 -3.486 0.180 -12.705 1.00 0.00 O ATOM 640 CB HIS A 45 -2.150 -2.492 -11.082 1.00 0.00 C ATOM 641 CG HIS A 45 -3.631 -2.776 -11.013 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.187 -3.971 -11.436 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.666 -2.007 -10.565 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.497 -3.913 -11.248 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.792 -2.695 -10.709 1.00 0.00 N ATOM 0 H HIS A 45 0.185 -1.688 -11.382 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.969 -1.760 -13.055 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.629 -3.404 -11.375 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.795 -2.228 -10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.583 -1.009 -10.162 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.207 -4.693 -11.481 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.725 -2.367 -10.458 1.00 0.00 H new ATOM 997 N LEU A 67 5.058 3.738 -3.214 1.00 0.00 N ATOM 998 CA LEU A 67 3.843 3.612 -2.427 1.00 0.00 C ATOM 999 C LEU A 67 4.183 3.765 -0.944 1.00 0.00 C ATOM 1000 O LEU A 67 5.226 3.297 -0.490 1.00 0.00 O ATOM 1001 CB LEU A 67 3.123 2.304 -2.761 1.00 0.00 C ATOM 1002 CG LEU A 67 3.270 1.177 -1.737 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.424 1.452 -0.493 1.00 0.00 C ATOM 1004 CD2 LEU A 67 2.943 -0.180 -2.364 1.00 0.00 C ATOM 0 HA LEU A 67 3.142 4.408 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.062 2.518 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.491 1.945 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 67 4.311 1.141 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.547 0.635 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.747 2.386 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.375 1.531 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.055 -0.964 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.917 -0.173 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.624 -0.371 -3.194 1.00 0.00 H new ATOM 1016 N ILE A 68 3.282 4.423 -0.228 1.00 0.00 N ATOM 1017 CA ILE A 68 3.473 4.644 1.195 1.00 0.00 C ATOM 1018 C ILE A 68 2.592 3.671 1.981 1.00 0.00 C ATOM 1019 O ILE A 68 1.439 3.441 1.619 1.00 0.00 O ATOM 1020 CB ILE A 68 3.232 6.113 1.546 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.379 6.993 1.045 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.991 6.286 3.047 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.049 7.599 -0.321 1.00 0.00 C ATOM 0 H ILE A 68 2.418 4.810 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 68 4.506 4.438 1.477 1.00 0.00 H new ATOM 0 HB ILE A 68 2.327 6.442 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.571 7.790 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.292 6.401 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.822 7.340 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.116 5.708 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.863 5.934 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.881 8.220 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.881 6.800 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.150 8.210 -0.240 1.00 0.00 H new ATOM 1035 N TYR A 69 3.168 3.126 3.043 1.00 0.00 N ATOM 1036 CA TYR A 69 2.449 2.184 3.883 1.00 0.00 C ATOM 1037 C TYR A 69 2.727 2.447 5.364 1.00 0.00 C ATOM 1038 O TYR A 69 3.869 2.352 5.811 1.00 0.00 O ATOM 1039 CB TYR A 69 2.983 0.798 3.514 1.00 0.00 C ATOM 1040 CG TYR A 69 2.343 -0.346 4.304 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.107 -0.171 4.891 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.003 -1.551 4.429 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.505 -1.248 5.635 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.401 -2.628 5.172 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.181 -2.423 5.738 1.00 0.00 C ATOM 1046 OH TYR A 69 0.613 -3.440 6.440 1.00 0.00 O ATOM 0 H TYR A 69 4.124 3.319 3.341 1.00 0.00 H new ATOM 0 HA TYR A 69 1.374 2.273 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.818 0.628 2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.061 0.780 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.591 0.773 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.971 -1.687 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.462 -1.125 6.100 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.906 -3.577 5.277 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.363 -3.374 6.380 1.00 0.00 H new ATOM 1056 N GLN A 70 1.664 2.772 6.085 1.00 0.00 N ATOM 1057 CA GLN A 70 1.780 3.049 7.506 1.00 0.00 C ATOM 1058 C GLN A 70 2.568 4.341 7.733 1.00 0.00 C ATOM 1059 O GLN A 70 2.956 4.646 8.860 1.00 0.00 O ATOM 1060 CB GLN A 70 2.428 1.875 8.243 1.00 0.00 C ATOM 1061 CG GLN A 70 1.374 1.032 8.965 1.00 0.00 C ATOM 1062 CD GLN A 70 1.877 0.585 10.339 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.584 1.298 11.032 1.00 0.00 O ATOM 1064 NE2 GLN A 70 1.475 -0.633 10.692 1.00 0.00 N ATOM 0 H GLN A 70 0.718 2.850 5.711 1.00 0.00 H new ATOM 0 HA GLN A 70 0.778 3.182 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.974 1.252 7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.155 2.250 8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.457 1.610 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.127 0.158 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.883 -1.177 10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.758 -1.023 11.591 1.00 0.00 H new ATOM 1073 N GLY A 71 2.781 5.065 6.644 1.00 0.00 N ATOM 1074 CA GLY A 71 3.516 6.317 6.710 1.00 0.00 C ATOM 1075 C GLY A 71 4.824 6.226 5.923 1.00 0.00 C ATOM 1076 O GLY A 71 5.198 7.166 5.222 1.00 0.00 O ATOM 0 H GLY A 71 2.458 4.809 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.902 7.125 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.729 6.563 7.750 1.00 0.00 H new ATOM 1080 N ARG A 72 5.485 5.086 6.064 1.00 0.00 N ATOM 1081 CA ARG A 72 6.744 4.861 5.374 1.00 0.00 C ATOM 1082 C ARG A 72 6.489 4.482 3.914 1.00 0.00 C ATOM 1083 O ARG A 72 5.348 4.492 3.457 1.00 0.00 O ATOM 1084 CB ARG A 72 7.550 3.749 6.049 1.00 0.00 C ATOM 1085 CG ARG A 72 6.993 2.371 5.688 1.00 0.00 C ATOM 1086 CD ARG A 72 6.867 1.488 6.931 1.00 0.00 C ATOM 1087 NE ARG A 72 7.604 0.221 6.728 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.911 -0.635 7.712 1.00 0.00 C ATOM 1089 NH1 ARG A 72 7.548 -0.365 8.973 1.00 0.00 N ATOM 1090 NH2 ARG A 72 8.583 -1.761 7.435 1.00 0.00 N ATOM 0 H ARG A 72 5.172 4.309 6.646 1.00 0.00 H new ATOM 0 HA ARG A 72 7.316 5.788 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.594 3.815 5.743 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.526 3.883 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.017 2.482 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.647 1.890 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.261 2.012 7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.817 1.279 7.134 1.00 0.00 H new ATOM 0 HE ARG A 72 7.897 -0.015 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.038 0.493 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.782 -1.017 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.861 -1.966 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.817 -2.413 8.184 1.00 0.00 H new ATOM 1104 N PHE A 73 7.572 4.158 3.223 1.00 0.00 N ATOM 1105 CA PHE A 73 7.480 3.777 1.823 1.00 0.00 C ATOM 1106 C PHE A 73 7.980 2.346 1.611 1.00 0.00 C ATOM 1107 O PHE A 73 8.869 1.883 2.324 1.00 0.00 O ATOM 1108 CB PHE A 73 8.374 4.738 1.038 1.00 0.00 C ATOM 1109 CG PHE A 73 7.975 6.209 1.173 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.158 6.858 2.354 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.437 6.868 0.111 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.787 8.223 2.479 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.067 8.233 0.236 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.250 8.882 1.417 1.00 0.00 C ATOM 0 H PHE A 73 8.517 4.151 3.606 1.00 0.00 H new ATOM 0 HA PHE A 73 6.443 3.824 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.403 4.619 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.351 4.461 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.585 6.335 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.291 6.353 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.931 8.738 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.640 8.756 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.969 9.920 1.512 1.00 0.00 H new ATOM 1124 N LEU A 74 7.386 1.686 0.627 1.00 0.00 N ATOM 1125 CA LEU A 74 7.760 0.318 0.312 1.00 0.00 C ATOM 1126 C LEU A 74 8.685 0.314 -0.906 1.00 0.00 C ATOM 1127 O LEU A 74 8.625 1.218 -1.739 1.00 0.00 O ATOM 1128 CB LEU A 74 6.513 -0.552 0.140 1.00 0.00 C ATOM 1129 CG LEU A 74 5.663 -0.762 1.395 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.517 -1.738 1.123 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.529 -1.210 2.574 1.00 0.00 C ATOM 0 H LEU A 74 6.649 2.073 0.038 1.00 0.00 H new ATOM 0 HA LEU A 74 8.318 -0.124 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.885 -0.103 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.824 -1.528 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 74 5.215 0.193 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.928 -1.870 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.881 -1.341 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.924 -2.700 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.901 -1.352 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.024 -2.149 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.280 -0.448 2.784 1.00 0.00 H new ATOM 1143 N HIS A 75 9.520 -0.712 -0.972 1.00 0.00 N ATOM 1144 CA HIS A 75 10.457 -0.846 -2.075 1.00 0.00 C ATOM 1145 C HIS A 75 9.704 -1.263 -3.340 1.00 0.00 C ATOM 1146 O HIS A 75 8.583 -1.762 -3.264 1.00 0.00 O ATOM 1147 CB HIS A 75 11.588 -1.810 -1.713 1.00 0.00 C ATOM 1148 CG HIS A 75 12.964 -1.309 -2.084 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.606 -1.678 -3.253 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.811 -0.464 -1.429 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.787 -1.078 -3.289 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.912 -0.326 -2.158 1.00 0.00 N ATOM 0 H HIS A 75 9.568 -1.459 -0.279 1.00 0.00 H new ATOM 0 HA HIS A 75 10.929 0.116 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.559 -2.001 -0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.413 -2.763 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.619 0.012 -0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.521 -1.169 -4.076 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.719 0.248 -1.913 1.00 0.00 H new ATOM 1160 N GLY A 76 10.352 -1.043 -4.475 1.00 0.00 N ATOM 1161 CA GLY A 76 9.758 -1.389 -5.755 1.00 0.00 C ATOM 1162 C GLY A 76 9.843 -2.896 -6.009 1.00 0.00 C ATOM 1163 O GLY A 76 9.020 -3.455 -6.732 1.00 0.00 O ATOM 0 H GLY A 76 11.282 -0.629 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.715 -1.072 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.269 -0.852 -6.554 1.00 0.00 H new ATOM 1167 N ASN A 77 10.847 -3.510 -5.400 1.00 0.00 N ATOM 1168 CA ASN A 77 11.050 -4.941 -5.551 1.00 0.00 C ATOM 1169 C ASN A 77 10.187 -5.685 -4.530 1.00 0.00 C ATOM 1170 O ASN A 77 9.865 -6.857 -4.721 1.00 0.00 O ATOM 1171 CB ASN A 77 12.511 -5.320 -5.299 1.00 0.00 C ATOM 1172 CG ASN A 77 13.111 -6.030 -6.514 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.420 -6.415 -7.444 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.431 -6.182 -6.455 1.00 0.00 N ATOM 0 H ASN A 77 11.528 -3.043 -4.801 1.00 0.00 H new ATOM 0 HA ASN A 77 10.777 -5.214 -6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.089 -4.424 -5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.577 -5.968 -4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.926 -6.644 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.949 -5.836 -5.647 1.00 0.00 H new ATOM 1181 N VAL A 78 9.836 -4.974 -3.469 1.00 0.00 N ATOM 1182 CA VAL A 78 9.016 -5.552 -2.418 1.00 0.00 C ATOM 1183 C VAL A 78 7.755 -6.159 -3.036 1.00 0.00 C ATOM 1184 O VAL A 78 7.251 -5.660 -4.041 1.00 0.00 O ATOM 1185 CB VAL A 78 8.711 -4.497 -1.352 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.452 -4.863 -0.563 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.907 -4.301 -0.417 1.00 0.00 C ATOM 0 H VAL A 78 10.105 -4.002 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 78 9.552 -6.357 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 78 8.524 -3.551 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.258 -4.097 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.603 -4.928 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.598 -5.825 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.664 -3.546 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.139 -5.243 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.771 -3.974 -0.995 1.00 0.00 H new ATOM 1197 N THR A 79 7.283 -7.226 -2.410 1.00 0.00 N ATOM 1198 CA THR A 79 6.090 -7.907 -2.886 1.00 0.00 C ATOM 1199 C THR A 79 5.188 -8.288 -1.711 1.00 0.00 C ATOM 1200 O THR A 79 5.674 -8.708 -0.661 1.00 0.00 O ATOM 1201 CB THR A 79 6.534 -9.106 -3.726 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.308 -9.893 -2.825 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.523 -8.717 -4.826 1.00 0.00 C ATOM 0 H THR A 79 7.705 -7.637 -1.577 1.00 0.00 H new ATOM 0 HA THR A 79 5.488 -7.254 -3.518 1.00 0.00 H new ATOM 0 HB THR A 79 5.660 -9.578 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.635 -10.693 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.805 -9.605 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.057 -7.993 -5.495 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.412 -8.275 -4.376 1.00 0.00 H new ATOM 1211 N LEU A 80 3.891 -8.129 -1.926 1.00 0.00 N ATOM 1212 CA LEU A 80 2.917 -8.451 -0.897 1.00 0.00 C ATOM 1213 C LEU A 80 3.347 -9.730 -0.176 1.00 0.00 C ATOM 1214 O LEU A 80 3.094 -9.889 1.017 1.00 0.00 O ATOM 1215 CB LEU A 80 1.510 -8.526 -1.495 1.00 0.00 C ATOM 1216 CG LEU A 80 0.823 -7.185 -1.762 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.512 -7.388 -2.483 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.659 -6.386 -0.468 1.00 0.00 C ATOM 0 H LEU A 80 3.491 -7.781 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 80 2.879 -7.660 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.564 -9.077 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.880 -9.106 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 80 1.461 -6.599 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.980 -6.420 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.339 -7.888 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.169 -8.001 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.168 -5.437 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.052 -6.955 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.639 -6.195 -0.031 1.00 0.00 H new ATOM 1230 N GLY A 81 3.990 -10.609 -0.931 1.00 0.00 N ATOM 1231 CA GLY A 81 4.458 -11.869 -0.378 1.00 0.00 C ATOM 1232 C GLY A 81 5.484 -11.633 0.732 1.00 0.00 C ATOM 1233 O GLY A 81 5.332 -12.143 1.841 1.00 0.00 O ATOM 0 H GLY A 81 4.198 -10.474 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.613 -12.433 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.904 -12.474 -1.168 1.00 0.00 H new ATOM 1237 N ALA A 82 6.507 -10.861 0.395 1.00 0.00 N ATOM 1238 CA ALA A 82 7.557 -10.552 1.350 1.00 0.00 C ATOM 1239 C ALA A 82 6.959 -9.782 2.529 1.00 0.00 C ATOM 1240 O ALA A 82 7.561 -9.714 3.599 1.00 0.00 O ATOM 1241 CB ALA A 82 8.671 -9.772 0.648 1.00 0.00 C ATOM 0 H ALA A 82 6.631 -10.441 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 82 7.998 -11.467 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.459 -9.540 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.082 -10.374 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.266 -8.845 0.241 1.00 0.00 H new ATOM 1247 N LEU A 83 5.782 -9.222 2.292 1.00 0.00 N ATOM 1248 CA LEU A 83 5.096 -8.460 3.321 1.00 0.00 C ATOM 1249 C LEU A 83 4.199 -9.398 4.132 1.00 0.00 C ATOM 1250 O LEU A 83 3.542 -8.969 5.079 1.00 0.00 O ATOM 1251 CB LEU A 83 4.348 -7.277 2.703 1.00 0.00 C ATOM 1252 CG LEU A 83 5.194 -6.308 1.874 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.336 -5.172 1.314 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.381 -5.784 2.685 1.00 0.00 C ATOM 0 H LEU A 83 5.286 -9.281 1.403 1.00 0.00 H new ATOM 0 HA LEU A 83 5.815 -8.026 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.552 -7.667 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.870 -6.716 3.506 1.00 0.00 H new ATOM 0 HG LEU A 83 5.602 -6.853 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.962 -4.498 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.555 -5.586 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.880 -4.621 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.966 -5.098 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.015 -5.260 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.009 -6.620 2.993 1.00 0.00 H new ATOM 1266 N LYS A 84 4.201 -10.660 3.731 1.00 0.00 N ATOM 1267 CA LYS A 84 3.396 -11.662 4.408 1.00 0.00 C ATOM 1268 C LYS A 84 2.127 -11.006 4.955 1.00 0.00 C ATOM 1269 O LYS A 84 1.771 -11.205 6.115 1.00 0.00 O ATOM 1270 CB LYS A 84 4.224 -12.383 5.475 1.00 0.00 C ATOM 1271 CG LYS A 84 4.946 -11.381 6.378 1.00 0.00 C ATOM 1272 CD LYS A 84 3.995 -10.808 7.432 1.00 0.00 C ATOM 1273 CE LYS A 84 4.770 -10.265 8.633 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.843 -9.897 9.726 1.00 0.00 N ATOM 0 H LYS A 84 4.748 -11.012 2.945 1.00 0.00 H new ATOM 0 HA LYS A 84 3.080 -12.434 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.574 -13.018 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.953 -13.036 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.787 -11.869 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.356 -10.571 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.396 -10.011 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.303 -11.583 7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.478 -11.015 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.352 -9.394 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.386 -9.530 10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.184 -9.165 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.306 -10.737 10.023 1.00 0.00 H new ATOM 1288 N LEU A 85 1.478 -10.238 4.092 1.00 0.00 N ATOM 1289 CA LEU A 85 0.255 -9.552 4.473 1.00 0.00 C ATOM 1290 C LEU A 85 -0.878 -10.571 4.600 1.00 0.00 C ATOM 1291 O LEU A 85 -0.877 -11.595 3.918 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.047 -8.414 3.497 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.054 -7.004 4.091 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.075 -6.833 5.109 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.004 -5.944 2.988 1.00 0.00 C ATOM 0 H LEU A 85 1.776 -10.076 3.130 1.00 0.00 H new ATOM 0 HA LEU A 85 0.371 -9.081 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.690 -8.445 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.020 -8.600 3.043 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.994 -6.863 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.048 -5.822 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.948 -7.553 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.034 -7.001 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.002 -4.951 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.917 -6.074 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.861 -6.052 2.334 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.845 -10.247 5.500 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.982 -11.123 5.725 1.00 0.00 C ATOM 1309 C PRO A 86 -3.981 -11.032 4.569 1.00 0.00 C ATOM 1310 O PRO A 86 -4.340 -9.938 4.139 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.569 -10.673 7.053 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.028 -9.273 7.295 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.880 -9.043 6.325 1.00 0.00 C ATOM 0 HA PRO A 86 -2.701 -12.175 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.658 -10.670 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.278 -11.349 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.811 -8.530 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.685 -9.169 8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.046 -8.152 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.938 -8.898 6.854 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.400 -12.198 4.099 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.350 -12.264 3.001 1.00 0.00 C ATOM 1323 C PHE A 87 -6.750 -11.855 3.462 1.00 0.00 C ATOM 1324 O PHE A 87 -6.983 -11.661 4.655 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.386 -13.719 2.529 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.063 -14.217 1.944 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.280 -13.374 1.219 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.669 -15.502 2.150 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.051 -13.836 0.677 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.441 -15.964 1.608 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.658 -15.121 0.883 1.00 0.00 C ATOM 0 H PHE A 87 -4.099 -13.104 4.458 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.046 -11.585 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.662 -14.356 3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.167 -13.827 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.593 -12.353 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.291 -16.171 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.429 -13.167 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.129 -16.985 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.724 -15.472 0.471 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.646 -11.736 2.494 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.017 -11.353 2.785 1.00 0.00 C ATOM 1343 C GLY A 88 -9.062 -10.170 3.754 1.00 0.00 C ATOM 1344 O GLY A 88 -9.958 -10.082 4.592 1.00 0.00 O ATOM 0 H GLY A 88 -7.449 -11.898 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.529 -11.089 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.552 -12.200 3.215 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.083 -9.289 3.608 1.00 0.00 N ATOM 1349 CA LYS A 89 -7.999 -8.115 4.460 1.00 0.00 C ATOM 1350 C LYS A 89 -7.892 -6.863 3.586 1.00 0.00 C ATOM 1351 O LYS A 89 -7.867 -6.958 2.360 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.856 -8.263 5.465 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.289 -9.104 6.668 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.362 -8.252 7.936 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.791 -9.007 9.138 1.00 0.00 C ATOM 1356 NZ LYS A 89 -7.881 -9.456 10.033 1.00 0.00 N ATOM 0 H LYS A 89 -7.341 -9.365 2.912 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.905 -8.011 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.999 -8.730 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.534 -7.278 5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.263 -9.553 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.585 -9.923 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.808 -7.325 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.398 -7.976 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.216 -9.867 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.104 -8.363 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.476 -9.967 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.412 -8.630 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.521 -10.088 9.511 1.00 0.00 H new ATOM 1370 N THR A 90 -7.831 -5.719 4.252 1.00 0.00 N ATOM 1371 CA THR A 90 -7.726 -4.450 3.552 1.00 0.00 C ATOM 1372 C THR A 90 -6.634 -3.583 4.180 1.00 0.00 C ATOM 1373 O THR A 90 -6.742 -3.186 5.340 1.00 0.00 O ATOM 1374 CB THR A 90 -9.106 -3.791 3.560 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.913 -4.663 2.773 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.128 -2.468 2.792 1.00 0.00 C ATOM 0 H THR A 90 -7.852 -5.645 5.269 1.00 0.00 H new ATOM 0 HA THR A 90 -7.425 -4.594 2.514 1.00 0.00 H new ATOM 0 HB THR A 90 -9.419 -3.618 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.826 -4.311 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.131 -2.042 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.422 -1.772 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.847 -2.645 1.754 1.00 0.00 H new ATOM 1384 N THR A 91 -5.607 -3.314 3.388 1.00 0.00 N ATOM 1385 CA THR A 91 -4.496 -2.501 3.852 1.00 0.00 C ATOM 1386 C THR A 91 -4.646 -1.061 3.357 1.00 0.00 C ATOM 1387 O THR A 91 -5.168 -0.826 2.268 1.00 0.00 O ATOM 1388 CB THR A 91 -3.198 -3.168 3.395 1.00 0.00 C ATOM 1389 OG1 THR A 91 -2.866 -4.051 4.463 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.023 -2.189 3.342 1.00 0.00 C ATOM 0 H THR A 91 -5.521 -3.645 2.427 1.00 0.00 H new ATOM 0 HA THR A 91 -4.480 -2.438 4.940 1.00 0.00 H new ATOM 0 HB THR A 91 -3.346 -3.611 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.036 -4.526 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.127 -2.714 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.251 -1.385 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.853 -1.770 4.334 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.179 -0.134 4.181 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.254 1.277 3.840 1.00 0.00 C ATOM 1400 C VAL A 92 -2.887 1.751 3.344 1.00 0.00 C ATOM 1401 O VAL A 92 -1.888 1.624 4.050 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.766 2.078 5.039 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.675 3.582 4.772 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.195 1.670 5.401 1.00 0.00 C ATOM 0 H VAL A 92 -3.747 -0.332 5.084 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.966 1.437 3.031 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.127 1.850 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.045 4.129 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.637 3.856 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.279 3.834 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.535 2.254 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.852 1.855 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.218 0.610 5.654 1.00 0.00 H new ATOM 1414 N MET A 93 -2.886 2.288 2.133 1.00 0.00 N ATOM 1415 CA MET A 93 -1.658 2.782 1.534 1.00 0.00 C ATOM 1416 C MET A 93 -1.931 3.997 0.645 1.00 0.00 C ATOM 1417 O MET A 93 -2.977 4.078 0.003 1.00 0.00 O ATOM 1418 CB MET A 93 -1.015 1.673 0.699 1.00 0.00 C ATOM 1419 CG MET A 93 -0.368 0.616 1.596 1.00 0.00 C ATOM 1420 SD MET A 93 -0.076 -0.879 0.665 1.00 0.00 S ATOM 1421 CE MET A 93 0.910 -1.790 1.843 1.00 0.00 C ATOM 0 H MET A 93 -3.717 2.392 1.550 1.00 0.00 H new ATOM 0 HA MET A 93 -0.983 3.085 2.334 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.769 1.206 0.066 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.264 2.102 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.572 0.994 1.997 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.015 0.404 2.447 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.900 -2.849 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.935 -1.421 1.822 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.497 -1.657 2.843 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.972 4.912 0.637 1.00 0.00 N ATOM 1432 CA HIS A 94 -1.097 6.119 -0.162 1.00 0.00 C ATOM 1433 C HIS A 94 -0.225 5.997 -1.414 1.00 0.00 C ATOM 1434 O HIS A 94 0.642 5.128 -1.489 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.767 7.358 0.671 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.904 7.831 1.545 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.231 9.168 1.692 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.787 7.132 2.315 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.265 9.258 2.515 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.608 7.995 2.901 1.00 0.00 N ATOM 0 H HIS A 94 -0.106 4.841 1.171 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.130 6.238 -0.490 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.096 7.141 1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.477 8.167 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.814 6.058 2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.751 10.171 2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.370 7.754 3.535 1.00 0.00 H new