USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 866 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 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.272 X(o=-0.27,f=0.22) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 13 GLN : amide:sc= -2.33! X(o=-2.3!,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.19 K(o=-0.19,f=-2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc=-0.00535 X(o=-0.0054,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= -0.0811 (180deg=-0.577) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= -0.0032 (180deg=-0.266) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.507 K(o=-0.51,f=-4.8!) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.127) USER MOD Single : A 49 SER OG : rot -107:sc= 0.881 USER MOD Single : A 51 MET CE :methyl 164:sc= -0.104 (180deg=-0.482) USER MOD Single : A 52 SER OG : rot -149:sc= 1.84 USER MOD Single : A 59 ASN : amide:sc= -0.466 K(o=-0.47,f=-5.7!) USER MOD Single : A 70 MET CE :methyl -102:sc= -5.79! (180deg=-8.32!) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.37 F(o=-2.4!,f=-1.4) USER MOD Single : A 81 ASN : amide:sc= -0.0384 X(o=-0.038,f=-0.52) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-2.1) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -28:sc= 1.2 USER MOD Single : A 101 SER OG : rot -149:sc= 0.766 USER MOD Single : A 102 LYS NZ :NH3+ 154:sc= -0.459 (180deg=-1.35) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.556! C(o=-0.56!,f=-9.2!) USER MOD Single : A 115 ASN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl -121:sc= -3.67! (180deg=-10!) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.686 -11.562 11.571 1.00 0.00 N ATOM 89 CA PHE A 10 1.124 -10.336 11.017 1.00 0.00 C ATOM 90 C PHE A 10 1.291 -9.172 11.989 1.00 0.00 C ATOM 91 O PHE A 10 0.703 -8.106 11.807 1.00 0.00 O ATOM 92 CB PHE A 10 -0.357 -10.532 10.687 1.00 0.00 C ATOM 93 CG PHE A 10 -0.596 -11.458 9.529 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.602 -10.977 8.230 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.815 -12.810 9.740 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.823 -11.827 7.163 1.00 0.00 C ATOM 97 CE2 PHE A 10 -1.036 -13.665 8.676 1.00 0.00 C ATOM 98 CZ PHE A 10 -1.039 -13.173 7.386 1.00 0.00 C ATOM 0 HA PHE A 10 1.665 -10.100 10.101 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.868 -10.924 11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.803 -9.563 10.465 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.432 -9.926 8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.813 -13.200 10.747 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.827 -11.439 6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.206 -14.717 8.854 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.210 -13.839 6.553 1.00 0.00 H new ATOM 108 N THR A 11 2.097 -9.386 13.025 1.00 0.00 N ATOM 109 CA THR A 11 2.340 -8.357 14.029 1.00 0.00 C ATOM 110 C THR A 11 3.330 -7.316 13.519 1.00 0.00 C ATOM 111 O THR A 11 4.358 -7.657 12.933 1.00 0.00 O ATOM 112 CB THR A 11 2.880 -8.965 15.337 1.00 0.00 C ATOM 113 OG1 THR A 11 3.905 -9.921 15.047 1.00 0.00 O ATOM 114 CG2 THR A 11 1.763 -9.635 16.123 1.00 0.00 C ATOM 0 H THR A 11 2.592 -10.262 13.190 1.00 0.00 H new ATOM 0 HA THR A 11 1.382 -7.877 14.229 1.00 0.00 H new ATOM 0 HB THR A 11 3.296 -8.159 15.941 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.244 -10.301 15.884 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.168 -10.057 17.043 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.998 -8.898 16.368 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.322 -10.430 15.522 1.00 0.00 H new ATOM 122 N ASP A 12 3.015 -6.046 13.747 1.00 0.00 N ATOM 123 CA ASP A 12 3.879 -4.954 13.313 1.00 0.00 C ATOM 124 C ASP A 12 5.349 -5.341 13.439 1.00 0.00 C ATOM 125 O ASP A 12 6.165 -5.000 12.583 1.00 0.00 O ATOM 126 CB ASP A 12 3.598 -3.695 14.134 1.00 0.00 C ATOM 127 CG ASP A 12 2.124 -3.524 14.446 1.00 0.00 C ATOM 128 OD1 ASP A 12 1.294 -3.789 13.551 1.00 0.00 O ATOM 129 OD2 ASP A 12 1.801 -3.126 15.585 1.00 0.00 O ATOM 0 H ASP A 12 2.168 -5.747 14.230 1.00 0.00 H new ATOM 0 HA ASP A 12 3.664 -4.749 12.264 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.161 -3.740 15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.954 -2.822 13.588 1.00 0.00 H new ATOM 134 N GLN A 13 5.678 -6.054 14.511 1.00 0.00 N ATOM 135 CA GLN A 13 7.051 -6.485 14.749 1.00 0.00 C ATOM 136 C GLN A 13 7.536 -7.399 13.629 1.00 0.00 C ATOM 137 O GLN A 13 8.622 -7.206 13.082 1.00 0.00 O ATOM 138 CB GLN A 13 7.155 -7.207 16.094 1.00 0.00 C ATOM 139 CG GLN A 13 8.538 -7.771 16.376 1.00 0.00 C ATOM 140 CD GLN A 13 8.721 -9.171 15.824 1.00 0.00 C ATOM 141 OE1 GLN A 13 8.344 -10.156 16.461 1.00 0.00 O ATOM 142 NE2 GLN A 13 9.301 -9.268 14.634 1.00 0.00 N ATOM 0 H GLN A 13 5.014 -6.345 15.228 1.00 0.00 H new ATOM 0 HA GLN A 13 7.685 -5.599 14.770 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.885 -6.514 16.891 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.429 -8.019 16.118 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.290 -7.112 15.942 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.708 -7.784 17.453 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.598 -8.426 14.141 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.450 -10.185 14.212 1.00 0.00 H new ATOM 151 N LYS A 14 6.725 -8.396 13.292 1.00 0.00 N ATOM 152 CA LYS A 14 7.070 -9.340 12.236 1.00 0.00 C ATOM 153 C LYS A 14 6.970 -8.683 10.863 1.00 0.00 C ATOM 154 O LYS A 14 7.617 -9.115 9.909 1.00 0.00 O ATOM 155 CB LYS A 14 6.150 -10.562 12.296 1.00 0.00 C ATOM 156 CG LYS A 14 6.511 -11.541 13.399 1.00 0.00 C ATOM 157 CD LYS A 14 7.710 -12.394 13.018 1.00 0.00 C ATOM 158 CE LYS A 14 7.325 -13.488 12.034 1.00 0.00 C ATOM 159 NZ LYS A 14 8.494 -14.326 11.650 1.00 0.00 N ATOM 0 H LYS A 14 5.823 -8.571 13.736 1.00 0.00 H new ATOM 0 HA LYS A 14 8.100 -9.659 12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.123 -10.226 12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.184 -11.079 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.730 -10.993 14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.657 -12.185 13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.482 -11.763 12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.138 -12.843 13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.555 -14.120 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.893 -13.037 11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.190 -15.060 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.219 -13.728 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.892 -14.777 12.499 1.00 0.00 H new ATOM 173 N ILE A 15 6.157 -7.635 10.772 1.00 0.00 N ATOM 174 CA ILE A 15 5.975 -6.917 9.517 1.00 0.00 C ATOM 175 C ILE A 15 7.187 -6.047 9.201 1.00 0.00 C ATOM 176 O ILE A 15 7.689 -6.049 8.076 1.00 0.00 O ATOM 177 CB ILE A 15 4.716 -6.031 9.552 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.466 -6.891 9.742 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.612 -5.208 8.277 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.219 -6.088 10.041 1.00 0.00 C ATOM 0 H ILE A 15 5.614 -7.265 11.552 1.00 0.00 H new ATOM 0 HA ILE A 15 5.857 -7.670 8.737 1.00 0.00 H new ATOM 0 HB ILE A 15 4.794 -5.347 10.397 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.301 -7.481 8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.639 -7.594 10.556 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.717 -4.587 8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.492 -4.571 8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.553 -5.875 7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.372 -6.763 10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.365 -5.518 10.959 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.021 -5.403 9.216 1.00 0.00 H new ATOM 192 N ARG A 16 7.653 -5.306 10.200 1.00 0.00 N ATOM 193 CA ARG A 16 8.807 -4.431 10.029 1.00 0.00 C ATOM 194 C ARG A 16 10.075 -5.245 9.783 1.00 0.00 C ATOM 195 O ARG A 16 10.931 -4.852 8.992 1.00 0.00 O ATOM 196 CB ARG A 16 8.989 -3.545 11.263 1.00 0.00 C ATOM 197 CG ARG A 16 9.331 -4.320 12.525 1.00 0.00 C ATOM 198 CD ARG A 16 9.768 -3.392 13.647 1.00 0.00 C ATOM 199 NE ARG A 16 11.192 -3.076 13.573 1.00 0.00 N ATOM 200 CZ ARG A 16 12.150 -3.901 13.981 1.00 0.00 C ATOM 201 NH1 ARG A 16 11.838 -5.085 14.489 1.00 0.00 N ATOM 202 NH2 ARG A 16 13.424 -3.542 13.881 1.00 0.00 N ATOM 0 H ARG A 16 7.249 -5.294 11.137 1.00 0.00 H new ATOM 0 HA ARG A 16 8.627 -3.799 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.780 -2.821 11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.073 -2.979 11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.463 -4.897 12.845 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.127 -5.034 12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.189 -2.470 13.601 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.549 -3.857 14.608 1.00 0.00 H new ATOM 0 HE ARG A 16 11.466 -2.172 13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.860 -5.365 14.567 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.576 -5.716 14.801 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.668 -2.632 13.491 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.159 -4.176 14.195 1.00 0.00 H new ATOM 216 N GLN A 17 10.185 -6.380 10.467 1.00 0.00 N ATOM 217 CA GLN A 17 11.348 -7.247 10.323 1.00 0.00 C ATOM 218 C GLN A 17 11.308 -7.996 8.995 1.00 0.00 C ATOM 219 O GLN A 17 12.347 -8.272 8.395 1.00 0.00 O ATOM 220 CB GLN A 17 11.414 -8.243 11.482 1.00 0.00 C ATOM 221 CG GLN A 17 12.182 -7.724 12.687 1.00 0.00 C ATOM 222 CD GLN A 17 12.682 -8.839 13.584 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.669 -10.010 13.205 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.128 -8.480 14.783 1.00 0.00 N ATOM 0 H GLN A 17 9.484 -6.720 11.125 1.00 0.00 H new ATOM 0 HA GLN A 17 12.240 -6.621 10.339 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.400 -8.497 11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.881 -9.164 11.133 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.030 -7.130 12.345 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.539 -7.059 13.264 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.121 -7.497 15.057 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.478 -9.187 15.430 1.00 0.00 H new ATOM 233 N ARG A 18 10.101 -8.322 8.542 1.00 0.00 N ATOM 234 CA ARG A 18 9.926 -9.041 7.285 1.00 0.00 C ATOM 235 C ARG A 18 10.274 -8.150 6.096 1.00 0.00 C ATOM 236 O ARG A 18 10.879 -8.603 5.125 1.00 0.00 O ATOM 237 CB ARG A 18 8.486 -9.542 7.157 1.00 0.00 C ATOM 238 CG ARG A 18 8.139 -10.046 5.765 1.00 0.00 C ATOM 239 CD ARG A 18 6.837 -10.832 5.767 1.00 0.00 C ATOM 240 NE ARG A 18 7.044 -12.232 6.128 1.00 0.00 N ATOM 241 CZ ARG A 18 6.973 -12.688 7.373 1.00 0.00 C ATOM 242 NH1 ARG A 18 6.701 -11.859 8.372 1.00 0.00 N ATOM 243 NH2 ARG A 18 7.174 -13.976 7.622 1.00 0.00 N ATOM 0 H ARG A 18 9.231 -8.100 9.026 1.00 0.00 H new ATOM 0 HA ARG A 18 10.602 -9.896 7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.324 -10.345 7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.804 -8.734 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.055 -9.201 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.946 -10.677 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.139 -10.376 6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.378 -10.776 4.780 1.00 0.00 H new ATOM 0 HE ARG A 18 7.255 -12.896 5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.546 -10.868 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.647 -12.212 9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.383 -14.617 6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.119 -14.325 8.579 1.00 0.00 H new ATOM 257 N TYR A 19 9.887 -6.882 6.181 1.00 0.00 N ATOM 258 CA TYR A 19 10.155 -5.928 5.111 1.00 0.00 C ATOM 259 C TYR A 19 11.281 -4.975 5.500 1.00 0.00 C ATOM 260 O TYR A 19 11.498 -3.954 4.849 1.00 0.00 O ATOM 261 CB TYR A 19 8.891 -5.133 4.779 1.00 0.00 C ATOM 262 CG TYR A 19 7.764 -5.985 4.241 1.00 0.00 C ATOM 263 CD1 TYR A 19 7.852 -6.579 2.988 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.611 -6.197 4.987 1.00 0.00 C ATOM 265 CE1 TYR A 19 6.824 -7.358 2.493 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.578 -6.975 4.500 1.00 0.00 C ATOM 267 CZ TYR A 19 5.690 -7.553 3.252 1.00 0.00 C ATOM 268 OH TYR A 19 4.664 -8.329 2.763 1.00 0.00 O ATOM 0 H TYR A 19 9.387 -6.491 6.979 1.00 0.00 H new ATOM 0 HA TYR A 19 10.466 -6.488 4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.549 -4.618 5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.137 -4.365 4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.739 -6.429 2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.521 -5.746 5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.908 -7.812 1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.688 -7.130 5.093 1.00 0.00 H new ATOM 0 HH TYR A 19 3.939 -8.366 3.422 1.00 0.00 H new ATOM 278 N ALA A 20 11.996 -5.319 6.566 1.00 0.00 N ATOM 279 CA ALA A 20 13.102 -4.497 7.042 1.00 0.00 C ATOM 280 C ALA A 20 14.251 -4.489 6.039 1.00 0.00 C ATOM 281 O ALA A 20 15.015 -3.526 5.965 1.00 0.00 O ATOM 282 CB ALA A 20 13.585 -4.995 8.396 1.00 0.00 C ATOM 0 H ALA A 20 11.829 -6.161 7.116 1.00 0.00 H new ATOM 0 HA ALA A 20 12.742 -3.474 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.411 -4.372 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.768 -4.943 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.923 -6.027 8.305 1.00 0.00 H new ATOM 288 N ASP A 21 14.367 -5.566 5.270 1.00 0.00 N ATOM 289 CA ASP A 21 15.423 -5.682 4.271 1.00 0.00 C ATOM 290 C ASP A 21 15.263 -4.621 3.186 1.00 0.00 C ATOM 291 O ASP A 21 16.244 -4.180 2.586 1.00 0.00 O ATOM 292 CB ASP A 21 15.409 -7.077 3.644 1.00 0.00 C ATOM 293 CG ASP A 21 16.746 -7.450 3.033 1.00 0.00 C ATOM 294 OD1 ASP A 21 17.783 -7.225 3.693 1.00 0.00 O ATOM 295 OD2 ASP A 21 16.755 -7.967 1.897 1.00 0.00 O ATOM 0 H ASP A 21 13.743 -6.371 5.319 1.00 0.00 H new ATOM 0 HA ASP A 21 16.380 -5.525 4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.143 -7.811 4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.637 -7.119 2.876 1.00 0.00 H new ATOM 300 N LEU A 22 14.022 -4.217 2.939 1.00 0.00 N ATOM 301 CA LEU A 22 13.733 -3.208 1.926 1.00 0.00 C ATOM 302 C LEU A 22 14.581 -1.959 2.143 1.00 0.00 C ATOM 303 O LEU A 22 14.982 -1.638 3.262 1.00 0.00 O ATOM 304 CB LEU A 22 12.248 -2.842 1.951 1.00 0.00 C ATOM 305 CG LEU A 22 11.267 -4.007 1.819 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.854 -3.491 1.596 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.685 -4.930 0.683 1.00 0.00 C ATOM 0 H LEU A 22 13.200 -4.573 3.426 1.00 0.00 H new ATOM 0 HA LEU A 22 13.981 -3.627 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.039 -2.321 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.055 -2.137 1.143 1.00 0.00 H new ATOM 0 HG LEU A 22 11.282 -4.577 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.169 -4.334 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.555 -2.871 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.823 -2.898 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.975 -5.754 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.699 -4.372 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.680 -5.327 0.884 1.00 0.00 H new ATOM 319 N PRO A 23 14.859 -1.234 1.050 1.00 0.00 N ATOM 320 CA PRO A 23 15.659 -0.007 1.096 1.00 0.00 C ATOM 321 C PRO A 23 14.926 1.138 1.787 1.00 0.00 C ATOM 322 O PRO A 23 15.472 1.790 2.677 1.00 0.00 O ATOM 323 CB PRO A 23 15.891 0.322 -0.381 1.00 0.00 C ATOM 324 CG PRO A 23 14.747 -0.314 -1.094 1.00 0.00 C ATOM 325 CD PRO A 23 14.413 -1.557 -0.316 1.00 0.00 C ATOM 0 HA PRO A 23 16.578 -0.142 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.913 1.399 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.845 -0.074 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.892 0.360 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.015 -0.557 -2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.346 -1.777 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.931 -2.430 -0.712 1.00 0.00 H new ATOM 333 N GLY A 24 13.685 1.376 1.373 1.00 0.00 N ATOM 334 CA GLY A 24 12.898 2.442 1.964 1.00 0.00 C ATOM 335 C GLY A 24 12.547 2.168 3.413 1.00 0.00 C ATOM 336 O GLY A 24 13.055 1.222 4.013 1.00 0.00 O ATOM 0 H GLY A 24 13.211 0.850 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.452 3.378 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.981 2.574 1.390 1.00 0.00 H new ATOM 340 N GLU A 25 11.677 3.001 3.977 1.00 0.00 N ATOM 341 CA GLU A 25 11.261 2.844 5.366 1.00 0.00 C ATOM 342 C GLU A 25 9.788 2.456 5.452 1.00 0.00 C ATOM 343 O GLU A 25 8.941 3.030 4.766 1.00 0.00 O ATOM 344 CB GLU A 25 11.505 4.139 6.143 1.00 0.00 C ATOM 345 CG GLU A 25 11.590 3.940 7.647 1.00 0.00 C ATOM 346 CD GLU A 25 12.420 2.729 8.029 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.652 2.769 7.830 1.00 0.00 O ATOM 348 OE2 GLU A 25 11.837 1.743 8.526 1.00 0.00 O ATOM 0 H GLU A 25 11.247 3.790 3.494 1.00 0.00 H new ATOM 0 HA GLU A 25 11.855 2.045 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.431 4.594 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.701 4.842 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.022 4.831 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.584 3.829 8.053 1.00 0.00 H new ATOM 355 N LEU A 26 9.489 1.478 6.300 1.00 0.00 N ATOM 356 CA LEU A 26 8.118 1.011 6.477 1.00 0.00 C ATOM 357 C LEU A 26 7.265 2.074 7.163 1.00 0.00 C ATOM 358 O LEU A 26 7.665 2.646 8.177 1.00 0.00 O ATOM 359 CB LEU A 26 8.100 -0.280 7.297 1.00 0.00 C ATOM 360 CG LEU A 26 6.868 -1.169 7.122 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.948 -1.941 5.815 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.727 -2.123 8.299 1.00 0.00 C ATOM 0 H LEU A 26 10.177 0.993 6.876 1.00 0.00 H new ATOM 0 HA LEU A 26 7.697 0.814 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.984 -0.863 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.188 -0.018 8.351 1.00 0.00 H new ATOM 0 HG LEU A 26 5.985 -0.531 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.063 -2.568 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.000 -1.241 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.839 -2.569 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.845 -2.748 8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.613 -2.755 8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.622 -1.551 9.221 1.00 0.00 H new ATOM 374 N HIS A 27 6.088 2.332 6.603 1.00 0.00 N ATOM 375 CA HIS A 27 5.177 3.325 7.162 1.00 0.00 C ATOM 376 C HIS A 27 3.764 2.760 7.280 1.00 0.00 C ATOM 377 O HIS A 27 2.990 2.793 6.324 1.00 0.00 O ATOM 378 CB HIS A 27 5.164 4.583 6.293 1.00 0.00 C ATOM 379 CG HIS A 27 6.197 5.593 6.686 1.00 0.00 C ATOM 380 ND1 HIS A 27 5.924 6.669 7.505 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.510 5.686 6.371 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.024 7.381 7.674 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.001 6.806 6.996 1.00 0.00 N ATOM 0 H HIS A 27 5.742 1.868 5.763 1.00 0.00 H new ATOM 0 HA HIS A 27 5.531 3.585 8.160 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.324 4.298 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.178 5.043 6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.068 5.006 5.745 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.110 8.280 8.266 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.964 7.140 6.945 1.00 0.00 H new ATOM 392 N ILE A 28 3.437 2.241 8.459 1.00 0.00 N ATOM 393 CA ILE A 28 2.118 1.670 8.702 1.00 0.00 C ATOM 394 C ILE A 28 1.140 2.733 9.189 1.00 0.00 C ATOM 395 O ILE A 28 1.230 3.201 10.324 1.00 0.00 O ATOM 396 CB ILE A 28 2.180 0.532 9.738 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.194 -0.528 9.304 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.804 -0.089 9.925 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.478 -1.565 10.368 1.00 0.00 C ATOM 0 H ILE A 28 4.067 2.204 9.260 1.00 0.00 H new ATOM 0 HA ILE A 28 1.769 1.267 7.752 1.00 0.00 H new ATOM 0 HB ILE A 28 2.503 0.947 10.693 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.823 -1.029 8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.127 -0.036 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.864 -0.892 10.660 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.106 0.672 10.274 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.455 -0.493 8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.205 -2.284 9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.879 -1.075 11.256 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.555 -2.084 10.626 1.00 0.00 H new ATOM 411 N ILE A 29 0.204 3.109 8.324 1.00 0.00 N ATOM 412 CA ILE A 29 -0.794 4.114 8.667 1.00 0.00 C ATOM 413 C ILE A 29 -2.207 3.586 8.443 1.00 0.00 C ATOM 414 O ILE A 29 -2.488 2.951 7.427 1.00 0.00 O ATOM 415 CB ILE A 29 -0.603 5.401 7.842 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.984 5.158 6.381 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.835 5.888 7.946 1.00 0.00 C ATOM 418 CD1 ILE A 29 -0.772 6.364 5.492 1.00 0.00 C ATOM 0 H ILE A 29 0.116 2.732 7.380 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.658 4.345 9.724 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.258 6.173 8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.397 4.325 5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.031 4.860 6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.954 6.798 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.074 6.096 8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.508 5.119 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.063 6.119 4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.380 7.194 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.280 6.650 5.511 1.00 0.00 H new ATOM 430 N GLU A 30 -3.091 3.854 9.398 1.00 0.00 N ATOM 431 CA GLU A 30 -4.476 3.406 9.304 1.00 0.00 C ATOM 432 C GLU A 30 -5.373 4.520 8.772 1.00 0.00 C ATOM 433 O GLU A 30 -5.566 5.545 9.428 1.00 0.00 O ATOM 434 CB GLU A 30 -4.979 2.941 10.672 1.00 0.00 C ATOM 435 CG GLU A 30 -4.743 1.463 10.936 1.00 0.00 C ATOM 436 CD GLU A 30 -4.553 1.158 12.409 1.00 0.00 C ATOM 437 OE1 GLU A 30 -3.774 1.876 13.069 1.00 0.00 O ATOM 438 OE2 GLU A 30 -5.184 0.199 12.902 1.00 0.00 O ATOM 0 H GLU A 30 -2.874 4.379 10.245 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.514 2.569 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.485 3.524 11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.046 3.149 10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.589 0.890 10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.862 1.135 10.384 1.00 0.00 H new ATOM 445 N LEU A 31 -5.919 4.313 7.578 1.00 0.00 N ATOM 446 CA LEU A 31 -6.796 5.299 6.956 1.00 0.00 C ATOM 447 C LEU A 31 -8.239 4.804 6.929 1.00 0.00 C ATOM 448 O LEU A 31 -8.532 3.749 6.367 1.00 0.00 O ATOM 449 CB LEU A 31 -6.323 5.606 5.535 1.00 0.00 C ATOM 450 CG LEU A 31 -4.835 5.921 5.376 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.465 6.023 3.904 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.481 7.208 6.107 1.00 0.00 C ATOM 0 H LEU A 31 -5.770 3.471 7.022 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.756 6.212 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.563 4.752 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.896 6.453 5.158 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.262 5.106 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.402 6.248 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.681 5.077 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.046 6.818 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.418 7.416 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.063 8.032 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.708 7.098 7.167 1.00 0.00 H new ATOM 464 N GLU A 32 -9.135 5.574 7.538 1.00 0.00 N ATOM 465 CA GLU A 32 -10.547 5.213 7.581 1.00 0.00 C ATOM 466 C GLU A 32 -11.209 5.442 6.225 1.00 0.00 C ATOM 467 O GLU A 32 -11.234 6.563 5.715 1.00 0.00 O ATOM 468 CB GLU A 32 -11.271 6.024 8.658 1.00 0.00 C ATOM 469 CG GLU A 32 -12.448 5.294 9.282 1.00 0.00 C ATOM 470 CD GLU A 32 -13.751 5.556 8.551 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.698 5.943 7.365 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.823 5.375 9.166 1.00 0.00 O ATOM 0 H GLU A 32 -8.909 6.451 8.008 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.617 4.153 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.561 6.287 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.624 6.958 8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.246 4.223 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.551 5.602 10.323 1.00 0.00 H new ATOM 479 N LYS A 33 -11.744 4.373 5.646 1.00 0.00 N ATOM 480 CA LYS A 33 -12.407 4.455 4.350 1.00 0.00 C ATOM 481 C LYS A 33 -13.526 5.492 4.376 1.00 0.00 C ATOM 482 O LYS A 33 -14.467 5.385 5.163 1.00 0.00 O ATOM 483 CB LYS A 33 -12.973 3.089 3.956 1.00 0.00 C ATOM 484 CG LYS A 33 -11.911 2.091 3.527 1.00 0.00 C ATOM 485 CD LYS A 33 -12.471 1.063 2.559 1.00 0.00 C ATOM 486 CE LYS A 33 -13.357 0.052 3.270 1.00 0.00 C ATOM 487 NZ LYS A 33 -14.767 0.522 3.368 1.00 0.00 N ATOM 0 H LYS A 33 -11.731 3.438 6.054 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.667 4.762 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.527 2.677 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.685 3.221 3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.082 2.620 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.510 1.585 4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.045 1.568 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.651 0.544 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.327 -0.897 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.966 -0.134 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.042 0.588 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.853 1.458 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.392 -0.152 2.881 1.00 0.00 H new ATOM 501 N ASP A 34 -13.417 6.494 3.511 1.00 0.00 N ATOM 502 CA ASP A 34 -14.421 7.549 3.433 1.00 0.00 C ATOM 503 C ASP A 34 -15.640 7.082 2.643 1.00 0.00 C ATOM 504 O ASP A 34 -15.662 5.971 2.114 1.00 0.00 O ATOM 505 CB ASP A 34 -13.827 8.801 2.784 1.00 0.00 C ATOM 506 CG ASP A 34 -14.672 10.035 3.028 1.00 0.00 C ATOM 507 OD1 ASP A 34 -15.228 10.165 4.139 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.778 10.873 2.108 1.00 0.00 O ATOM 0 H ASP A 34 -12.644 6.598 2.854 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.738 7.790 4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.823 8.968 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.728 8.638 1.711 1.00 0.00 H new ATOM 513 N LYS A 35 -16.654 7.938 2.569 1.00 0.00 N ATOM 514 CA LYS A 35 -17.877 7.614 1.845 1.00 0.00 C ATOM 515 C LYS A 35 -17.569 6.803 0.590 1.00 0.00 C ATOM 516 O LYS A 35 -18.357 5.952 0.181 1.00 0.00 O ATOM 517 CB LYS A 35 -18.624 8.895 1.466 1.00 0.00 C ATOM 518 CG LYS A 35 -17.824 9.822 0.567 1.00 0.00 C ATOM 519 CD LYS A 35 -18.665 10.990 0.080 1.00 0.00 C ATOM 520 CE LYS A 35 -17.799 12.185 -0.290 1.00 0.00 C ATOM 521 NZ LYS A 35 -17.175 12.809 0.909 1.00 0.00 N ATOM 0 H LYS A 35 -16.653 8.862 3.002 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.508 7.012 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.554 8.628 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.896 9.430 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.957 10.198 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.446 9.263 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.251 10.682 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.373 11.279 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.019 11.868 -0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.406 12.926 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.900 13.787 0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.857 12.810 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.332 12.266 1.184 1.00 0.00 H new ATOM 535 N ASN A 36 -16.416 7.072 -0.014 1.00 0.00 N ATOM 536 CA ASN A 36 -16.003 6.366 -1.221 1.00 0.00 C ATOM 537 C ASN A 36 -15.022 5.246 -0.888 1.00 0.00 C ATOM 538 O ASN A 36 -15.103 4.150 -1.442 1.00 0.00 O ATOM 539 CB ASN A 36 -15.364 7.340 -2.214 1.00 0.00 C ATOM 540 CG ASN A 36 -14.772 6.633 -3.417 1.00 0.00 C ATOM 541 OD1 ASN A 36 -15.479 5.958 -4.165 1.00 0.00 O ATOM 542 ND2 ASN A 36 -13.467 6.786 -3.610 1.00 0.00 N ATOM 0 H ASN A 36 -15.752 7.774 0.313 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.890 5.925 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -16.114 8.056 -2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.583 7.909 -1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.012 6.335 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.919 7.355 -2.964 1.00 0.00 H new ATOM 549 N GLY A 37 -14.095 5.530 0.022 1.00 0.00 N ATOM 550 CA GLY A 37 -13.112 4.537 0.415 1.00 0.00 C ATOM 551 C GLY A 37 -11.747 5.143 0.673 1.00 0.00 C ATOM 552 O GLY A 37 -11.620 6.102 1.436 1.00 0.00 O ATOM 0 H GLY A 37 -14.007 6.430 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.455 4.027 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.029 3.783 -0.367 1.00 0.00 H new ATOM 556 N LEU A 38 -10.723 4.583 0.039 1.00 0.00 N ATOM 557 CA LEU A 38 -9.359 5.073 0.206 1.00 0.00 C ATOM 558 C LEU A 38 -8.938 5.928 -0.985 1.00 0.00 C ATOM 559 O LEU A 38 -8.407 7.025 -0.819 1.00 0.00 O ATOM 560 CB LEU A 38 -8.392 3.901 0.375 1.00 0.00 C ATOM 561 CG LEU A 38 -8.485 3.138 1.697 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.516 1.966 1.706 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.210 4.069 2.869 1.00 0.00 C ATOM 0 H LEU A 38 -10.811 3.789 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.329 5.692 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.560 3.197 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.375 4.277 0.267 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.497 2.746 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.596 1.435 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.758 1.287 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.498 2.335 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.280 3.510 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.209 4.490 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.943 4.875 2.873 1.00 0.00 H new ATOM 575 N GLY A 39 -9.182 5.417 -2.189 1.00 0.00 N ATOM 576 CA GLY A 39 -8.823 6.147 -3.391 1.00 0.00 C ATOM 577 C GLY A 39 -7.324 6.313 -3.543 1.00 0.00 C ATOM 578 O GLY A 39 -6.746 7.281 -3.047 1.00 0.00 O ATOM 0 H GLY A 39 -9.622 4.511 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.218 5.623 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.294 7.130 -3.370 1.00 0.00 H new ATOM 582 N LEU A 40 -6.693 5.367 -4.229 1.00 0.00 N ATOM 583 CA LEU A 40 -5.251 5.411 -4.445 1.00 0.00 C ATOM 584 C LEU A 40 -4.890 4.871 -5.825 1.00 0.00 C ATOM 585 O LEU A 40 -5.420 3.850 -6.261 1.00 0.00 O ATOM 586 CB LEU A 40 -4.529 4.605 -3.364 1.00 0.00 C ATOM 587 CG LEU A 40 -4.546 5.203 -1.956 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.271 4.128 -0.916 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.529 6.330 -1.844 1.00 0.00 C ATOM 0 H LEU A 40 -7.157 4.560 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.931 6.452 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.976 3.612 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.491 4.474 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.538 5.615 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.287 4.572 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.037 3.355 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.292 3.686 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.554 6.744 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.532 5.942 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.772 7.112 -2.564 1.00 0.00 H new ATOM 601 N SER A 41 -3.982 5.562 -6.506 1.00 0.00 N ATOM 602 CA SER A 41 -3.550 5.153 -7.837 1.00 0.00 C ATOM 603 C SER A 41 -2.451 4.098 -7.752 1.00 0.00 C ATOM 604 O SER A 41 -1.452 4.280 -7.055 1.00 0.00 O ATOM 605 CB SER A 41 -3.051 6.363 -8.629 1.00 0.00 C ATOM 606 OG SER A 41 -4.087 7.310 -8.822 1.00 0.00 O ATOM 0 H SER A 41 -3.531 6.408 -6.158 1.00 0.00 H new ATOM 0 HA SER A 41 -4.407 4.719 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.221 6.831 -8.100 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.669 6.036 -9.596 1.00 0.00 H new ATOM 0 HG SER A 41 -3.741 8.074 -9.329 1.00 0.00 H new ATOM 612 N LEU A 42 -2.644 2.994 -8.465 1.00 0.00 N ATOM 613 CA LEU A 42 -1.670 1.908 -8.471 1.00 0.00 C ATOM 614 C LEU A 42 -1.154 1.647 -9.882 1.00 0.00 C ATOM 615 O LEU A 42 -1.880 1.819 -10.861 1.00 0.00 O ATOM 616 CB LEU A 42 -2.294 0.633 -7.900 1.00 0.00 C ATOM 617 CG LEU A 42 -3.124 0.804 -6.627 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.845 -0.489 -6.282 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.240 1.249 -5.471 1.00 0.00 C ATOM 0 H LEU A 42 -3.465 2.827 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.828 2.205 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.929 0.188 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.494 -0.079 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.872 1.576 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.430 -0.348 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.508 -0.766 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.114 -1.282 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.847 1.366 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.469 0.499 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.770 2.201 -5.718 1.00 0.00 H new ATOM 631 N ALA A 43 0.104 1.229 -9.979 1.00 0.00 N ATOM 632 CA ALA A 43 0.716 0.940 -11.270 1.00 0.00 C ATOM 633 C ALA A 43 1.761 -0.164 -11.148 1.00 0.00 C ATOM 634 O ALA A 43 2.758 -0.012 -10.443 1.00 0.00 O ATOM 635 CB ALA A 43 1.340 2.199 -11.852 1.00 0.00 C ATOM 0 H ALA A 43 0.719 1.083 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.066 0.590 -11.944 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.793 1.968 -12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.570 2.959 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.105 2.574 -11.172 1.00 0.00 H new ATOM 641 N GLY A 44 1.527 -1.275 -11.839 1.00 0.00 N ATOM 642 CA GLY A 44 2.457 -2.388 -11.793 1.00 0.00 C ATOM 643 C GLY A 44 3.880 -1.967 -12.099 1.00 0.00 C ATOM 644 O GLY A 44 4.106 -1.013 -12.843 1.00 0.00 O ATOM 0 H GLY A 44 0.709 -1.424 -12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.422 -2.846 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.144 -3.148 -12.509 1.00 0.00 H new ATOM 648 N ASN A 45 4.844 -2.678 -11.523 1.00 0.00 N ATOM 649 CA ASN A 45 6.253 -2.371 -11.737 1.00 0.00 C ATOM 650 C ASN A 45 6.542 -2.148 -13.218 1.00 0.00 C ATOM 651 O ASN A 45 5.950 -2.795 -14.082 1.00 0.00 O ATOM 652 CB ASN A 45 7.131 -3.503 -11.199 1.00 0.00 C ATOM 653 CG ASN A 45 8.604 -3.275 -11.477 1.00 0.00 C ATOM 654 OD1 ASN A 45 9.168 -3.852 -12.407 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.234 -2.429 -10.670 1.00 0.00 N ATOM 0 H ASN A 45 4.675 -3.471 -10.904 1.00 0.00 H new ATOM 0 HA ASN A 45 6.485 -1.453 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.978 -3.598 -10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.821 -4.445 -11.650 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.226 -2.235 -10.808 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.726 -1.973 -9.912 1.00 0.00 H new ATOM 662 N LYS A 46 7.458 -1.229 -13.505 1.00 0.00 N ATOM 663 CA LYS A 46 7.829 -0.921 -14.881 1.00 0.00 C ATOM 664 C LYS A 46 7.780 -2.173 -15.751 1.00 0.00 C ATOM 665 O LYS A 46 7.239 -2.151 -16.857 1.00 0.00 O ATOM 666 CB LYS A 46 9.231 -0.308 -14.928 1.00 0.00 C ATOM 667 CG LYS A 46 9.300 1.097 -14.356 1.00 0.00 C ATOM 668 CD LYS A 46 10.648 1.370 -13.710 1.00 0.00 C ATOM 669 CE LYS A 46 11.626 1.985 -14.700 1.00 0.00 C ATOM 670 NZ LYS A 46 12.221 0.960 -15.601 1.00 0.00 N ATOM 0 H LYS A 46 7.957 -0.684 -12.802 1.00 0.00 H new ATOM 0 HA LYS A 46 7.111 -0.200 -15.272 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.918 -0.950 -14.376 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.575 -0.288 -15.962 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.122 1.823 -15.149 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.508 1.230 -13.619 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.517 2.042 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.061 0.440 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.113 2.739 -15.297 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.421 2.496 -14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.022 1.375 -16.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.554 0.153 -15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.503 0.635 -16.279 1.00 0.00 H new ATOM 684 N ASP A 47 8.347 -3.262 -15.245 1.00 0.00 N ATOM 685 CA ASP A 47 8.366 -4.524 -15.975 1.00 0.00 C ATOM 686 C ASP A 47 7.258 -5.452 -15.485 1.00 0.00 C ATOM 687 O ASP A 47 7.162 -5.745 -14.294 1.00 0.00 O ATOM 688 CB ASP A 47 9.725 -5.208 -15.820 1.00 0.00 C ATOM 689 CG ASP A 47 10.069 -6.088 -17.005 1.00 0.00 C ATOM 690 OD1 ASP A 47 9.594 -5.793 -18.122 1.00 0.00 O ATOM 691 OD2 ASP A 47 10.814 -7.073 -16.816 1.00 0.00 O ATOM 0 H ASP A 47 8.800 -3.296 -14.332 1.00 0.00 H new ATOM 0 HA ASP A 47 8.195 -4.307 -17.029 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.498 -4.450 -15.698 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.724 -5.811 -14.912 1.00 0.00 H new ATOM 696 N ARG A 48 6.423 -5.909 -16.413 1.00 0.00 N ATOM 697 CA ARG A 48 5.320 -6.801 -16.075 1.00 0.00 C ATOM 698 C ARG A 48 5.812 -7.982 -15.244 1.00 0.00 C ATOM 699 O ARG A 48 5.249 -8.293 -14.195 1.00 0.00 O ATOM 700 CB ARG A 48 4.638 -7.307 -17.348 1.00 0.00 C ATOM 701 CG ARG A 48 3.263 -7.906 -17.104 1.00 0.00 C ATOM 702 CD ARG A 48 2.636 -8.406 -18.396 1.00 0.00 C ATOM 703 NE ARG A 48 3.451 -9.434 -19.038 1.00 0.00 N ATOM 704 CZ ARG A 48 3.432 -10.714 -18.684 1.00 0.00 C ATOM 705 NH1 ARG A 48 2.643 -11.121 -17.699 1.00 0.00 N ATOM 706 NH2 ARG A 48 4.203 -11.590 -19.316 1.00 0.00 N ATOM 0 H ARG A 48 6.489 -5.676 -17.404 1.00 0.00 H new ATOM 0 HA ARG A 48 4.598 -6.239 -15.483 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.545 -6.481 -18.053 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.274 -8.057 -17.817 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.344 -8.730 -16.395 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.614 -7.157 -16.649 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.645 -8.808 -18.186 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.502 -7.569 -19.081 1.00 0.00 H new ATOM 0 HE ARG A 48 4.069 -9.154 -19.800 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.049 -10.451 -17.211 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.630 -12.105 -17.429 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.811 -11.280 -20.074 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.188 -12.573 -19.043 1.00 0.00 H new ATOM 720 N SER A 49 6.865 -8.638 -15.722 1.00 0.00 N ATOM 721 CA SER A 49 7.430 -9.788 -15.025 1.00 0.00 C ATOM 722 C SER A 49 7.455 -9.551 -13.518 1.00 0.00 C ATOM 723 O SER A 49 7.262 -10.477 -12.730 1.00 0.00 O ATOM 724 CB SER A 49 8.844 -10.074 -15.532 1.00 0.00 C ATOM 725 OG SER A 49 9.740 -9.044 -15.151 1.00 0.00 O ATOM 0 H SER A 49 7.344 -8.393 -16.589 1.00 0.00 H new ATOM 0 HA SER A 49 6.798 -10.652 -15.229 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.191 -11.028 -15.134 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.833 -10.167 -16.618 1.00 0.00 H new ATOM 0 HG SER A 49 9.970 -8.503 -15.935 1.00 0.00 H new ATOM 731 N ARG A 50 7.696 -8.305 -13.125 1.00 0.00 N ATOM 732 CA ARG A 50 7.749 -7.946 -11.713 1.00 0.00 C ATOM 733 C ARG A 50 6.352 -7.647 -11.176 1.00 0.00 C ATOM 734 O ARG A 50 5.532 -7.034 -11.859 1.00 0.00 O ATOM 735 CB ARG A 50 8.657 -6.732 -11.507 1.00 0.00 C ATOM 736 CG ARG A 50 10.113 -7.094 -11.269 1.00 0.00 C ATOM 737 CD ARG A 50 10.861 -5.968 -10.574 1.00 0.00 C ATOM 738 NE ARG A 50 12.191 -6.383 -10.135 1.00 0.00 N ATOM 739 CZ ARG A 50 13.253 -6.410 -10.932 1.00 0.00 C ATOM 740 NH1 ARG A 50 13.141 -6.049 -12.203 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.429 -6.800 -10.459 1.00 0.00 N ATOM 0 H ARG A 50 7.858 -7.527 -13.764 1.00 0.00 H new ATOM 0 HA ARG A 50 8.158 -8.794 -11.163 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.590 -6.086 -12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.291 -6.155 -10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.170 -7.998 -10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.594 -7.318 -12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.952 -5.120 -11.253 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.285 -5.627 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 50 12.311 -6.668 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.238 -5.750 -12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.958 -6.071 -12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.519 -7.080 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.244 -6.820 -11.072 1.00 0.00 H new ATOM 755 N MET A 51 6.090 -8.084 -9.948 1.00 0.00 N ATOM 756 CA MET A 51 4.793 -7.862 -9.320 1.00 0.00 C ATOM 757 C MET A 51 4.933 -6.986 -8.079 1.00 0.00 C ATOM 758 O MET A 51 5.334 -7.460 -7.015 1.00 0.00 O ATOM 759 CB MET A 51 4.149 -9.198 -8.945 1.00 0.00 C ATOM 760 CG MET A 51 2.677 -9.083 -8.584 1.00 0.00 C ATOM 761 SD MET A 51 1.703 -8.298 -9.882 1.00 0.00 S ATOM 762 CE MET A 51 2.003 -9.412 -11.252 1.00 0.00 C ATOM 0 H MET A 51 6.758 -8.593 -9.369 1.00 0.00 H new ATOM 0 HA MET A 51 4.153 -7.347 -10.037 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.257 -9.891 -9.779 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.689 -9.628 -8.102 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.277 -10.077 -8.386 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.577 -8.509 -7.663 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.263 -9.236 -12.033 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.002 -9.236 -11.652 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.927 -10.443 -10.906 1.00 0.00 H new ATOM 772 N SER A 52 4.601 -5.707 -8.221 1.00 0.00 N ATOM 773 CA SER A 52 4.694 -4.765 -7.113 1.00 0.00 C ATOM 774 C SER A 52 3.634 -3.674 -7.236 1.00 0.00 C ATOM 775 O SER A 52 3.415 -3.127 -8.317 1.00 0.00 O ATOM 776 CB SER A 52 6.087 -4.135 -7.067 1.00 0.00 C ATOM 777 OG SER A 52 6.085 -2.948 -6.293 1.00 0.00 O ATOM 0 H SER A 52 4.265 -5.299 -9.094 1.00 0.00 H new ATOM 0 HA SER A 52 4.520 -5.313 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.797 -4.846 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.422 -3.912 -8.080 1.00 0.00 H new ATOM 0 HG SER A 52 6.759 -2.329 -6.642 1.00 0.00 H new ATOM 783 N ILE A 53 2.981 -3.364 -6.122 1.00 0.00 N ATOM 784 CA ILE A 53 1.945 -2.339 -6.104 1.00 0.00 C ATOM 785 C ILE A 53 2.488 -1.018 -5.571 1.00 0.00 C ATOM 786 O ILE A 53 2.740 -0.875 -4.375 1.00 0.00 O ATOM 787 CB ILE A 53 0.741 -2.770 -5.246 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.187 -4.108 -5.740 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.340 -1.700 -5.276 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.643 -4.836 -4.706 1.00 0.00 C ATOM 0 H ILE A 53 3.151 -3.808 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 53 1.616 -2.205 -7.135 1.00 0.00 H new ATOM 0 HB ILE A 53 1.074 -2.895 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.422 -3.935 -6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.017 -4.746 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.185 -2.019 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.061 -0.766 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.672 -1.547 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.003 -5.776 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.032 -5.041 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.493 -4.217 -4.420 1.00 0.00 H new ATOM 802 N PHE A 54 2.665 -0.053 -6.468 1.00 0.00 N ATOM 803 CA PHE A 54 3.178 1.259 -6.088 1.00 0.00 C ATOM 804 C PHE A 54 2.062 2.300 -6.088 1.00 0.00 C ATOM 805 O PHE A 54 0.962 2.047 -6.578 1.00 0.00 O ATOM 806 CB PHE A 54 4.293 1.690 -7.043 1.00 0.00 C ATOM 807 CG PHE A 54 5.537 0.855 -6.928 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.257 0.821 -5.745 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.985 0.106 -8.003 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.402 0.053 -5.636 1.00 0.00 C ATOM 811 CE2 PHE A 54 7.129 -0.664 -7.900 1.00 0.00 C ATOM 812 CZ PHE A 54 7.838 -0.689 -6.715 1.00 0.00 C ATOM 0 H PHE A 54 2.461 -0.155 -7.462 1.00 0.00 H new ATOM 0 HA PHE A 54 3.582 1.185 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.924 1.638 -8.067 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.545 2.732 -6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.920 1.401 -4.898 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.435 0.123 -8.932 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.954 0.034 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.468 -1.245 -8.745 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.733 -1.288 -6.633 1.00 0.00 H new ATOM 822 N VAL A 55 2.355 3.472 -5.534 1.00 0.00 N ATOM 823 CA VAL A 55 1.378 4.553 -5.469 1.00 0.00 C ATOM 824 C VAL A 55 1.798 5.726 -6.348 1.00 0.00 C ATOM 825 O VAL A 55 2.610 6.558 -5.945 1.00 0.00 O ATOM 826 CB VAL A 55 1.186 5.050 -4.024 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.264 6.259 -3.994 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.645 3.934 -3.144 1.00 0.00 C ATOM 0 H VAL A 55 3.261 3.697 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 55 0.434 4.149 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 55 2.156 5.353 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.140 6.596 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.698 7.062 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.708 5.986 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.516 4.303 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.316 3.597 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.347 3.100 -3.141 1.00 0.00 H new ATOM 838 N VAL A 56 1.238 5.786 -7.552 1.00 0.00 N ATOM 839 CA VAL A 56 1.552 6.858 -8.488 1.00 0.00 C ATOM 840 C VAL A 56 0.530 7.986 -8.396 1.00 0.00 C ATOM 841 O VAL A 56 0.550 8.923 -9.193 1.00 0.00 O ATOM 842 CB VAL A 56 1.600 6.341 -9.939 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.487 5.110 -10.038 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.197 6.040 -10.443 1.00 0.00 C ATOM 0 H VAL A 56 0.565 5.104 -7.902 1.00 0.00 H new ATOM 0 HA VAL A 56 2.535 7.239 -8.213 1.00 0.00 H new ATOM 0 HB VAL A 56 2.029 7.119 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.509 4.759 -11.070 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.498 5.364 -9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.091 4.324 -9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.249 5.676 -11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.261 5.279 -9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.404 6.949 -10.411 1.00 0.00 H new ATOM 854 N GLY A 57 -0.363 7.889 -7.416 1.00 0.00 N ATOM 855 CA GLY A 57 -1.381 8.907 -7.237 1.00 0.00 C ATOM 856 C GLY A 57 -2.174 8.716 -5.959 1.00 0.00 C ATOM 857 O GLY A 57 -2.307 7.596 -5.466 1.00 0.00 O ATOM 0 H GLY A 57 -0.399 7.123 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.910 9.890 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.061 8.890 -8.089 1.00 0.00 H new ATOM 861 N ILE A 58 -2.700 9.811 -5.421 1.00 0.00 N ATOM 862 CA ILE A 58 -3.483 9.758 -4.193 1.00 0.00 C ATOM 863 C ILE A 58 -4.753 10.593 -4.314 1.00 0.00 C ATOM 864 O ILE A 58 -4.706 11.822 -4.276 1.00 0.00 O ATOM 865 CB ILE A 58 -2.668 10.256 -2.984 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.440 9.370 -2.770 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.535 10.280 -1.735 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.510 9.876 -1.689 1.00 0.00 C ATOM 0 H ILE A 58 -2.598 10.746 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.752 8.714 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.329 11.272 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.769 8.363 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.888 9.295 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.945 10.634 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.381 10.949 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.901 9.275 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.338 9.198 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.152 10.871 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.046 9.924 -0.741 1.00 0.00 H new ATOM 880 N ASN A 59 -5.888 9.917 -4.458 1.00 0.00 N ATOM 881 CA ASN A 59 -7.172 10.596 -4.584 1.00 0.00 C ATOM 882 C ASN A 59 -7.294 11.722 -3.561 1.00 0.00 C ATOM 883 O ASN A 59 -7.361 11.493 -2.353 1.00 0.00 O ATOM 884 CB ASN A 59 -8.320 9.601 -4.402 1.00 0.00 C ATOM 885 CG ASN A 59 -9.561 10.001 -5.176 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.632 11.097 -5.733 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.546 9.111 -5.215 1.00 0.00 N ATOM 0 H ASN A 59 -5.945 8.899 -4.490 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.230 11.028 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.995 8.613 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.565 9.523 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.406 9.323 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.443 8.215 -4.738 1.00 0.00 H new ATOM 894 N PRO A 60 -7.325 12.969 -4.055 1.00 0.00 N ATOM 895 CA PRO A 60 -7.440 14.155 -3.202 1.00 0.00 C ATOM 896 C PRO A 60 -8.816 14.272 -2.554 1.00 0.00 C ATOM 897 O PRO A 60 -9.061 15.176 -1.756 1.00 0.00 O ATOM 898 CB PRO A 60 -7.206 15.315 -4.173 1.00 0.00 C ATOM 899 CG PRO A 60 -7.601 14.778 -5.506 1.00 0.00 C ATOM 900 CD PRO A 60 -7.250 13.316 -5.484 1.00 0.00 C ATOM 0 HA PRO A 60 -6.736 14.129 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.805 16.185 -3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.163 15.632 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.667 14.921 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.072 15.294 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.948 12.726 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.255 13.136 -5.890 1.00 0.00 H new ATOM 908 N GLU A 61 -9.710 13.352 -2.904 1.00 0.00 N ATOM 909 CA GLU A 61 -11.061 13.354 -2.356 1.00 0.00 C ATOM 910 C GLU A 61 -11.217 12.275 -1.288 1.00 0.00 C ATOM 911 O GLU A 61 -12.129 12.329 -0.465 1.00 0.00 O ATOM 912 CB GLU A 61 -12.087 13.137 -3.470 1.00 0.00 C ATOM 913 CG GLU A 61 -12.035 14.194 -4.560 1.00 0.00 C ATOM 914 CD GLU A 61 -12.901 15.398 -4.246 1.00 0.00 C ATOM 915 OE1 GLU A 61 -13.920 15.231 -3.545 1.00 0.00 O ATOM 916 OE2 GLU A 61 -12.558 16.509 -4.703 1.00 0.00 O ATOM 0 H GLU A 61 -9.523 12.597 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.237 14.326 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.923 12.157 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.086 13.125 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.004 14.519 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.359 13.754 -5.503 1.00 0.00 H new ATOM 923 N GLY A 62 -10.318 11.295 -1.310 1.00 0.00 N ATOM 924 CA GLY A 62 -10.373 10.217 -0.340 1.00 0.00 C ATOM 925 C GLY A 62 -9.594 10.532 0.922 1.00 0.00 C ATOM 926 O GLY A 62 -9.089 11.639 1.105 1.00 0.00 O ATOM 0 H GLY A 62 -9.553 11.229 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.413 10.018 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.977 9.307 -0.790 1.00 0.00 H new ATOM 930 N PRO A 63 -9.491 9.542 1.821 1.00 0.00 N ATOM 931 CA PRO A 63 -8.771 9.695 3.088 1.00 0.00 C ATOM 932 C PRO A 63 -7.263 9.804 2.888 1.00 0.00 C ATOM 933 O PRO A 63 -6.615 10.688 3.448 1.00 0.00 O ATOM 934 CB PRO A 63 -9.118 8.414 3.851 1.00 0.00 C ATOM 935 CG PRO A 63 -9.440 7.418 2.791 1.00 0.00 C ATOM 936 CD PRO A 63 -10.069 8.196 1.668 1.00 0.00 C ATOM 0 HA PRO A 63 -9.055 10.608 3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.282 8.081 4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.965 8.568 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.541 6.903 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.122 6.655 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.830 7.764 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.156 8.213 1.750 1.00 0.00 H new ATOM 944 N ALA A 64 -6.710 8.899 2.087 1.00 0.00 N ATOM 945 CA ALA A 64 -5.278 8.895 1.812 1.00 0.00 C ATOM 946 C ALA A 64 -4.745 10.316 1.661 1.00 0.00 C ATOM 947 O ALA A 64 -3.645 10.627 2.115 1.00 0.00 O ATOM 948 CB ALA A 64 -4.984 8.083 0.560 1.00 0.00 C ATOM 0 H ALA A 64 -7.232 8.159 1.617 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.771 8.433 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.911 8.088 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.322 7.057 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.508 8.521 -0.289 1.00 0.00 H new ATOM 954 N ALA A 65 -5.531 11.173 1.018 1.00 0.00 N ATOM 955 CA ALA A 65 -5.138 12.561 0.808 1.00 0.00 C ATOM 956 C ALA A 65 -5.392 13.399 2.057 1.00 0.00 C ATOM 957 O ALA A 65 -4.550 14.200 2.461 1.00 0.00 O ATOM 958 CB ALA A 65 -5.883 13.146 -0.382 1.00 0.00 C ATOM 0 H ALA A 65 -6.444 10.930 0.633 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.068 12.582 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.580 14.183 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.648 12.570 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.956 13.105 -0.196 1.00 0.00 H new ATOM 964 N ALA A 66 -6.559 13.208 2.665 1.00 0.00 N ATOM 965 CA ALA A 66 -6.923 13.945 3.868 1.00 0.00 C ATOM 966 C ALA A 66 -5.881 13.754 4.965 1.00 0.00 C ATOM 967 O ALA A 66 -5.316 14.722 5.473 1.00 0.00 O ATOM 968 CB ALA A 66 -8.295 13.509 4.359 1.00 0.00 C ATOM 0 H ALA A 66 -7.268 12.549 2.343 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.959 15.005 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.554 14.068 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.037 13.703 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.278 12.443 4.586 1.00 0.00 H new ATOM 974 N ASP A 67 -5.632 12.500 5.326 1.00 0.00 N ATOM 975 CA ASP A 67 -4.658 12.182 6.363 1.00 0.00 C ATOM 976 C ASP A 67 -3.341 12.911 6.114 1.00 0.00 C ATOM 977 O ASP A 67 -2.662 13.326 7.052 1.00 0.00 O ATOM 978 CB ASP A 67 -4.416 10.673 6.420 1.00 0.00 C ATOM 979 CG ASP A 67 -4.045 10.198 7.812 1.00 0.00 C ATOM 980 OD1 ASP A 67 -3.358 10.951 8.532 1.00 0.00 O ATOM 981 OD2 ASP A 67 -4.443 9.073 8.180 1.00 0.00 O ATOM 0 H ASP A 67 -6.091 11.687 4.916 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.062 12.514 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.314 10.151 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.619 10.409 5.725 1.00 0.00 H new ATOM 986 N GLY A 68 -2.986 13.064 4.842 1.00 0.00 N ATOM 987 CA GLY A 68 -1.752 13.742 4.492 1.00 0.00 C ATOM 988 C GLY A 68 -0.523 12.976 4.938 1.00 0.00 C ATOM 989 O GLY A 68 0.454 13.568 5.397 1.00 0.00 O ATOM 0 H GLY A 68 -3.531 12.730 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.714 13.887 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.744 14.733 4.947 1.00 0.00 H new ATOM 993 N ARG A 69 -0.571 11.654 4.804 1.00 0.00 N ATOM 994 CA ARG A 69 0.547 10.806 5.199 1.00 0.00 C ATOM 995 C ARG A 69 1.097 10.038 4.001 1.00 0.00 C ATOM 996 O ARG A 69 2.299 10.062 3.735 1.00 0.00 O ATOM 997 CB ARG A 69 0.109 9.825 6.289 1.00 0.00 C ATOM 998 CG ARG A 69 -0.269 10.498 7.598 1.00 0.00 C ATOM 999 CD ARG A 69 -0.152 9.539 8.772 1.00 0.00 C ATOM 1000 NE ARG A 69 -1.361 8.740 8.949 1.00 0.00 N ATOM 1001 CZ ARG A 69 -1.585 7.970 10.008 1.00 0.00 C ATOM 1002 NH1 ARG A 69 -0.686 7.895 10.980 1.00 0.00 N ATOM 1003 NH2 ARG A 69 -2.710 7.272 10.097 1.00 0.00 N ATOM 0 H ARG A 69 -1.372 11.148 4.425 1.00 0.00 H new ATOM 0 HA ARG A 69 1.336 11.447 5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.743 9.249 5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.917 9.117 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.377 11.360 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.290 10.873 7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.700 8.877 8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.046 10.104 9.683 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.073 8.775 8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.180 8.429 10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.861 7.303 11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.404 7.326 9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.881 6.681 10.911 1.00 0.00 H new ATOM 1017 N MET A 70 0.210 9.358 3.282 1.00 0.00 N ATOM 1018 CA MET A 70 0.608 8.585 2.111 1.00 0.00 C ATOM 1019 C MET A 70 1.115 9.500 1.001 1.00 0.00 C ATOM 1020 O MET A 70 0.514 10.536 0.716 1.00 0.00 O ATOM 1021 CB MET A 70 -0.568 7.749 1.602 1.00 0.00 C ATOM 1022 CG MET A 70 -0.636 6.359 2.214 1.00 0.00 C ATOM 1023 SD MET A 70 -1.381 5.148 1.106 1.00 0.00 S ATOM 1024 CE MET A 70 0.063 4.565 0.221 1.00 0.00 C ATOM 0 H MET A 70 -0.788 9.326 3.489 1.00 0.00 H new ATOM 0 HA MET A 70 1.418 7.918 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.498 8.277 1.815 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.495 7.657 0.518 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.370 6.033 2.478 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.211 6.401 3.139 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.098 5.030 -0.764 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.962 4.827 0.779 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.009 3.482 0.109 1.00 0.00 H new ATOM 1034 N ARG A 71 2.223 9.110 0.379 1.00 0.00 N ATOM 1035 CA ARG A 71 2.810 9.897 -0.699 1.00 0.00 C ATOM 1036 C ARG A 71 2.965 9.057 -1.963 1.00 0.00 C ATOM 1037 O ARG A 71 2.668 7.862 -1.966 1.00 0.00 O ATOM 1038 CB ARG A 71 4.171 10.450 -0.272 1.00 0.00 C ATOM 1039 CG ARG A 71 4.104 11.358 0.946 1.00 0.00 C ATOM 1040 CD ARG A 71 3.890 12.810 0.547 1.00 0.00 C ATOM 1041 NE ARG A 71 4.471 13.735 1.516 1.00 0.00 N ATOM 1042 CZ ARG A 71 4.686 15.022 1.266 1.00 0.00 C ATOM 1043 NH1 ARG A 71 4.369 15.533 0.084 1.00 0.00 N ATOM 1044 NH2 ARG A 71 5.219 15.801 2.199 1.00 0.00 N ATOM 0 H ARG A 71 2.732 8.255 0.603 1.00 0.00 H new ATOM 0 HA ARG A 71 2.139 10.728 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.841 9.617 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.606 11.004 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.292 11.035 1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.027 11.269 1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.334 12.986 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.822 13.007 0.453 1.00 0.00 H new ATOM 0 HE ARG A 71 4.726 13.373 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.959 14.938 -0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.535 16.521 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.464 15.412 3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.384 16.789 2.006 1.00 0.00 H new ATOM 1058 N ILE A 72 3.432 9.690 -3.034 1.00 0.00 N ATOM 1059 CA ILE A 72 3.626 9.000 -4.304 1.00 0.00 C ATOM 1060 C ILE A 72 4.959 8.259 -4.328 1.00 0.00 C ATOM 1061 O ILE A 72 6.020 8.863 -4.184 1.00 0.00 O ATOM 1062 CB ILE A 72 3.576 9.981 -5.490 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.386 10.931 -5.344 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.493 9.218 -6.804 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.095 10.232 -4.980 1.00 0.00 C ATOM 0 H ILE A 72 3.683 10.679 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 72 2.812 8.282 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 72 4.491 10.573 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.616 11.673 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.246 11.471 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.458 9.924 -7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.369 8.578 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.592 8.604 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.295 10.967 -4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.841 9.509 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.217 9.715 -4.028 1.00 0.00 H new ATOM 1077 N GLY A 73 4.895 6.944 -4.514 1.00 0.00 N ATOM 1078 CA GLY A 73 6.103 6.141 -4.555 1.00 0.00 C ATOM 1079 C GLY A 73 6.049 4.961 -3.605 1.00 0.00 C ATOM 1080 O GLY A 73 6.837 4.023 -3.723 1.00 0.00 O ATOM 0 H GLY A 73 4.028 6.421 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.260 5.778 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.960 6.766 -4.304 1.00 0.00 H new ATOM 1084 N ASP A 74 5.117 5.009 -2.659 1.00 0.00 N ATOM 1085 CA ASP A 74 4.963 3.936 -1.683 1.00 0.00 C ATOM 1086 C ASP A 74 4.683 2.606 -2.376 1.00 0.00 C ATOM 1087 O ASP A 74 4.270 2.575 -3.535 1.00 0.00 O ATOM 1088 CB ASP A 74 3.833 4.264 -0.707 1.00 0.00 C ATOM 1089 CG ASP A 74 4.130 5.492 0.132 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.237 5.565 0.706 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.256 6.380 0.213 1.00 0.00 O ATOM 0 H ASP A 74 4.457 5.779 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 74 5.897 3.846 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.910 4.423 -1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.665 3.411 -0.050 1.00 0.00 H new ATOM 1096 N GLU A 75 4.913 1.511 -1.659 1.00 0.00 N ATOM 1097 CA GLU A 75 4.687 0.179 -2.208 1.00 0.00 C ATOM 1098 C GLU A 75 3.879 -0.679 -1.238 1.00 0.00 C ATOM 1099 O GLU A 75 4.425 -1.248 -0.292 1.00 0.00 O ATOM 1100 CB GLU A 75 6.022 -0.503 -2.518 1.00 0.00 C ATOM 1101 CG GLU A 75 5.886 -1.972 -2.879 1.00 0.00 C ATOM 1102 CD GLU A 75 7.227 -2.649 -3.085 1.00 0.00 C ATOM 1103 OE1 GLU A 75 7.849 -2.421 -4.144 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.655 -3.406 -2.188 1.00 0.00 O ATOM 0 H GLU A 75 5.255 1.520 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 75 4.119 0.287 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.505 0.022 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.678 -0.410 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.341 -2.487 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.293 -2.065 -3.789 1.00 0.00 H new ATOM 1111 N LEU A 76 2.576 -0.767 -1.480 1.00 0.00 N ATOM 1112 CA LEU A 76 1.691 -1.554 -0.628 1.00 0.00 C ATOM 1113 C LEU A 76 2.226 -2.972 -0.451 1.00 0.00 C ATOM 1114 O LEU A 76 2.646 -3.613 -1.415 1.00 0.00 O ATOM 1115 CB LEU A 76 0.284 -1.598 -1.225 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.443 -0.257 -1.330 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.776 -0.426 -2.043 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.649 0.348 0.051 1.00 0.00 C ATOM 0 H LEU A 76 2.109 -0.303 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 76 1.649 -1.077 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.348 -2.033 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.324 -2.272 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 76 0.175 0.424 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.279 0.539 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.605 -0.815 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.401 -1.124 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.168 1.302 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.246 -0.331 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.319 0.507 0.527 1.00 0.00 H new ATOM 1130 N LEU A 77 2.204 -3.456 0.785 1.00 0.00 N ATOM 1131 CA LEU A 77 2.684 -4.800 1.089 1.00 0.00 C ATOM 1132 C LEU A 77 1.570 -5.656 1.682 1.00 0.00 C ATOM 1133 O LEU A 77 1.400 -6.816 1.309 1.00 0.00 O ATOM 1134 CB LEU A 77 3.864 -4.734 2.061 1.00 0.00 C ATOM 1135 CG LEU A 77 5.044 -3.865 1.626 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.824 -3.378 2.837 1.00 0.00 C ATOM 1137 CD2 LEU A 77 5.952 -4.634 0.678 1.00 0.00 C ATOM 0 H LEU A 77 1.859 -2.939 1.593 1.00 0.00 H new ATOM 0 HA LEU A 77 3.013 -5.260 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.499 -4.363 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.228 -5.748 2.229 1.00 0.00 H new ATOM 0 HG LEU A 77 4.654 -2.995 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.660 -2.761 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.169 -2.789 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.203 -4.235 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.786 -4.000 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.334 -5.523 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.387 -4.931 -0.206 1.00 0.00 H new ATOM 1149 N GLU A 78 0.812 -5.074 2.606 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.288 -5.783 3.249 1.00 0.00 C ATOM 1151 C GLU A 78 -1.470 -4.849 3.493 1.00 0.00 C ATOM 1152 O GLU A 78 -1.292 -3.650 3.710 1.00 0.00 O ATOM 1153 CB GLU A 78 0.175 -6.394 4.574 1.00 0.00 C ATOM 1154 CG GLU A 78 1.490 -7.148 4.470 1.00 0.00 C ATOM 1155 CD GLU A 78 1.718 -8.086 5.639 1.00 0.00 C ATOM 1156 OE1 GLU A 78 0.765 -8.313 6.413 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.851 -8.594 5.779 1.00 0.00 O ATOM 0 H GLU A 78 0.939 -4.114 2.926 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.611 -6.582 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.279 -5.600 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.595 -7.073 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.504 -7.720 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.311 -6.433 4.417 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.675 -5.407 3.453 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.886 -4.625 3.670 1.00 0.00 C ATOM 1166 C ILE A 79 -4.967 -5.462 4.346 1.00 0.00 C ATOM 1167 O ILE A 79 -5.204 -6.609 3.970 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.438 -4.065 2.346 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.479 -3.023 1.768 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.818 -3.461 2.562 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.925 -2.465 0.435 1.00 0.00 C ATOM 0 H ILE A 79 -2.839 -6.397 3.272 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.614 -3.794 4.321 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.528 -4.883 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.374 -2.204 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.493 -3.473 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.196 -3.069 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.497 -4.228 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.751 -2.652 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.198 -1.732 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.002 -3.275 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.897 -1.985 0.548 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.622 -4.878 5.345 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.680 -5.569 6.073 1.00 0.00 C ATOM 1185 C ASN A 80 -6.261 -6.995 6.417 1.00 0.00 C ATOM 1186 O ASN A 80 -7.082 -7.911 6.418 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.967 -5.589 5.246 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.159 -6.080 6.044 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.548 -5.315 7.058 1.00 0.00 O flip ATOM 1190 ND2 ASN A 80 -9.724 -7.135 5.752 1.00 0.00 N flip ATOM 0 H ASN A 80 -5.438 -3.928 5.668 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.861 -5.028 7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.171 -4.586 4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.827 -6.230 4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.391 -7.691 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.525 -7.453 6.298 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.977 -7.174 6.710 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.448 -8.489 7.057 1.00 0.00 C ATOM 1199 C ASN A 81 -4.389 -9.392 5.829 1.00 0.00 C ATOM 1200 O ASN A 81 -4.725 -10.574 5.900 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.310 -9.138 8.141 1.00 0.00 C ATOM 1202 CG ASN A 81 -4.569 -10.225 8.896 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -3.418 -10.045 9.294 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -5.227 -11.361 9.095 1.00 0.00 N ATOM 0 H ASN A 81 -4.284 -6.426 6.714 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.435 -8.358 7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.642 -8.373 8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.205 -9.562 7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.779 -12.129 9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.180 -11.466 8.747 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.960 -8.827 4.705 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.857 -9.582 3.462 1.00 0.00 C ATOM 1213 C GLN A 82 -2.628 -9.156 2.666 1.00 0.00 C ATOM 1214 O GLN A 82 -2.590 -8.060 2.106 1.00 0.00 O ATOM 1215 CB GLN A 82 -5.118 -9.390 2.618 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.308 -10.199 3.108 1.00 0.00 C ATOM 1217 CD GLN A 82 -6.381 -11.573 2.471 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -6.043 -12.578 3.096 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.825 -11.623 1.221 1.00 0.00 N ATOM 0 H GLN A 82 -3.678 -7.850 4.630 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.755 -10.637 3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.385 -8.333 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.900 -9.668 1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.248 -10.307 4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.227 -9.654 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.094 -10.764 0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.897 -12.520 0.741 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.627 -10.027 2.621 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.397 -9.741 1.893 1.00 0.00 C ATOM 1230 C ILE A 83 -0.657 -9.636 0.395 1.00 0.00 C ATOM 1231 O ILE A 83 -1.271 -10.521 -0.204 1.00 0.00 O ATOM 1232 CB ILE A 83 0.671 -10.822 2.144 1.00 0.00 C ATOM 1233 CG1 ILE A 83 0.974 -10.934 3.639 1.00 0.00 C ATOM 1234 CG2 ILE A 83 1.938 -10.506 1.363 1.00 0.00 C ATOM 1235 CD1 ILE A 83 1.995 -12.000 3.970 1.00 0.00 C ATOM 0 H ILE A 83 -1.643 -10.938 3.080 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.027 -8.785 2.263 1.00 0.00 H new ATOM 0 HB ILE A 83 0.284 -11.781 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.335 -9.971 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.049 -11.150 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.683 -11.279 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.710 -10.473 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.330 -9.540 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.161 -12.023 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.628 -12.971 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.933 -11.775 3.463 1.00 0.00 H new ATOM 1247 N LEU A 84 -0.185 -8.550 -0.208 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.364 -8.330 -1.638 1.00 0.00 C ATOM 1249 C LEU A 84 0.894 -8.714 -2.411 1.00 0.00 C ATOM 1250 O LEU A 84 0.841 -8.979 -3.612 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.715 -6.865 -1.909 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.694 -6.218 -0.929 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.675 -4.704 -1.078 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -3.100 -6.759 -1.144 1.00 0.00 C ATOM 0 H LEU A 84 0.325 -7.808 0.272 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.184 -8.963 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.208 -6.285 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.135 -6.792 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.382 -6.467 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.378 -4.260 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.671 -4.331 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.962 -4.435 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.783 -6.287 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.422 -6.540 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.103 -7.838 -0.986 1.00 0.00 H new ATOM 1266 N TYR A 85 2.024 -8.744 -1.713 1.00 0.00 N ATOM 1267 CA TYR A 85 3.296 -9.096 -2.333 1.00 0.00 C ATOM 1268 C TYR A 85 3.151 -10.340 -3.204 1.00 0.00 C ATOM 1269 O TYR A 85 3.166 -11.466 -2.707 1.00 0.00 O ATOM 1270 CB TYR A 85 4.361 -9.332 -1.261 1.00 0.00 C ATOM 1271 CG TYR A 85 5.738 -9.601 -1.825 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.070 -10.852 -2.331 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.707 -8.606 -1.851 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.327 -11.103 -2.847 1.00 0.00 C ATOM 1275 CE2 TYR A 85 7.966 -8.847 -2.366 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.271 -10.097 -2.863 1.00 0.00 C ATOM 1277 OH TYR A 85 9.525 -10.342 -3.375 1.00 0.00 O ATOM 0 H TYR A 85 2.085 -8.529 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 85 3.605 -8.265 -2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.408 -8.459 -0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.060 -10.177 -0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.333 -11.641 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.472 -7.626 -1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.569 -12.081 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.707 -8.061 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 85 10.068 -9.529 -3.313 1.00 0.00 H new ATOM 1287 N GLY A 86 3.012 -10.128 -4.509 1.00 0.00 N ATOM 1288 CA GLY A 86 2.867 -11.239 -5.431 1.00 0.00 C ATOM 1289 C GLY A 86 1.498 -11.280 -6.080 1.00 0.00 C ATOM 1290 O GLY A 86 1.008 -12.349 -6.445 1.00 0.00 O ATOM 0 H GLY A 86 2.997 -9.206 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.631 -11.166 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.041 -12.174 -4.898 1.00 0.00 H new ATOM 1294 N ARG A 87 0.878 -10.113 -6.223 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.444 -10.020 -6.830 1.00 0.00 C ATOM 1296 C ARG A 87 -0.576 -8.743 -7.655 1.00 0.00 C ATOM 1297 O ARG A 87 0.217 -7.812 -7.507 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.528 -10.057 -5.751 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.637 -11.397 -5.042 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.278 -11.251 -3.670 1.00 0.00 C ATOM 1301 NE ARG A 87 -2.243 -12.500 -2.915 1.00 0.00 N ATOM 1302 CZ ARG A 87 -2.970 -13.568 -3.226 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -3.782 -13.538 -4.274 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -2.884 -14.668 -2.490 1.00 0.00 N ATOM 0 H ARG A 87 1.270 -9.219 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.572 -10.875 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.321 -9.281 -5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.489 -9.817 -6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.227 -12.084 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.645 -11.836 -4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.760 -10.473 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.312 -10.926 -3.786 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.627 -12.556 -2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.849 -12.694 -4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.339 -14.359 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.259 -14.695 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.443 -15.487 -2.730 1.00 0.00 H new ATOM 1318 N SER A 88 -1.581 -8.706 -8.524 1.00 0.00 N ATOM 1319 CA SER A 88 -1.813 -7.546 -9.375 1.00 0.00 C ATOM 1320 C SER A 88 -2.498 -6.428 -8.595 1.00 0.00 C ATOM 1321 O SER A 88 -3.284 -6.684 -7.682 1.00 0.00 O ATOM 1322 CB SER A 88 -2.666 -7.936 -10.584 1.00 0.00 C ATOM 1323 OG SER A 88 -4.001 -8.212 -10.198 1.00 0.00 O ATOM 0 H SER A 88 -2.248 -9.467 -8.657 1.00 0.00 H new ATOM 0 HA SER A 88 -0.846 -7.183 -9.723 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.655 -7.129 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.236 -8.812 -11.069 1.00 0.00 H new ATOM 0 HG SER A 88 -4.526 -8.457 -10.988 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.194 -5.187 -8.961 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.780 -4.028 -8.296 1.00 0.00 C ATOM 1331 C HIS A 89 -4.300 -4.149 -8.233 1.00 0.00 C ATOM 1332 O HIS A 89 -4.913 -3.849 -7.209 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.389 -2.743 -9.026 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.589 -2.812 -10.508 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.784 -2.502 -11.122 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.736 -3.156 -11.502 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.658 -2.654 -12.428 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.425 -3.050 -12.685 1.00 0.00 N ATOM 0 H HIS A 89 -1.545 -4.958 -9.714 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.393 -3.990 -7.278 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.975 -1.915 -8.627 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.342 -2.521 -8.819 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.705 -3.458 -11.386 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.432 -2.483 -13.161 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.046 -3.245 -13.612 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.900 -4.590 -9.334 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.347 -4.749 -9.403 1.00 0.00 C ATOM 1349 C GLN A 90 -6.868 -5.529 -8.200 1.00 0.00 C ATOM 1350 O GLN A 90 -7.899 -5.185 -7.624 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.742 -5.461 -10.697 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.640 -4.580 -11.932 1.00 0.00 C ATOM 1353 CD GLN A 90 -6.764 -5.367 -13.222 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -7.506 -6.347 -13.296 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -6.037 -4.941 -14.248 1.00 0.00 N ATOM 0 H GLN A 90 -4.406 -4.843 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.797 -3.756 -9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.104 -6.335 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.765 -5.825 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.421 -3.821 -11.898 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.685 -4.055 -11.921 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.435 -4.124 -14.142 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.080 -5.431 -15.142 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.147 -6.582 -7.827 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.536 -7.412 -6.693 1.00 0.00 C ATOM 1366 C ASN A 91 -6.577 -6.591 -5.407 1.00 0.00 C ATOM 1367 O ASN A 91 -7.574 -6.598 -4.686 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.564 -8.582 -6.533 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.855 -9.711 -7.503 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -7.005 -10.116 -7.675 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -4.811 -10.226 -8.143 1.00 0.00 N ATOM 0 H ASN A 91 -5.290 -6.880 -8.294 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.535 -7.802 -6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.545 -8.228 -6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.619 -8.960 -5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.945 -10.988 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.875 -9.859 -7.970 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.486 -5.886 -5.127 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.398 -5.058 -3.930 1.00 0.00 C ATOM 1380 C ALA A 92 -6.706 -4.315 -3.679 1.00 0.00 C ATOM 1381 O ALA A 92 -7.373 -4.536 -2.669 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.244 -4.074 -4.052 1.00 0.00 C ATOM 0 H ALA A 92 -4.651 -5.871 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.214 -5.713 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.190 -3.463 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.310 -4.622 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.404 -3.431 -4.918 1.00 0.00 H new ATOM 1388 N SER A 93 -7.066 -3.431 -4.605 1.00 0.00 N ATOM 1389 CA SER A 93 -8.291 -2.651 -4.482 1.00 0.00 C ATOM 1390 C SER A 93 -9.452 -3.531 -4.028 1.00 0.00 C ATOM 1391 O SER A 93 -10.280 -3.117 -3.218 1.00 0.00 O ATOM 1392 CB SER A 93 -8.633 -1.984 -5.816 1.00 0.00 C ATOM 1393 OG SER A 93 -9.584 -0.948 -5.639 1.00 0.00 O ATOM 0 H SER A 93 -6.526 -3.238 -5.448 1.00 0.00 H new ATOM 0 HA SER A 93 -8.127 -1.879 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.727 -1.577 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.026 -2.729 -6.508 1.00 0.00 H new ATOM 0 HG SER A 93 -9.785 -0.537 -6.506 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.505 -4.749 -4.558 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.562 -5.689 -4.207 1.00 0.00 C ATOM 1401 C ALA A 94 -10.595 -5.943 -2.704 1.00 0.00 C ATOM 1402 O ALA A 94 -11.627 -5.763 -2.057 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.376 -6.998 -4.961 1.00 0.00 C ATOM 0 H ALA A 94 -8.828 -5.107 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.516 -5.248 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.172 -7.691 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.411 -6.808 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.411 -7.434 -4.701 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.460 -6.362 -2.154 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.360 -6.639 -0.727 1.00 0.00 C ATOM 1411 C ILE A 95 -9.895 -5.474 0.098 1.00 0.00 C ATOM 1412 O ILE A 95 -10.615 -5.673 1.077 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.905 -6.924 -0.310 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.360 -8.134 -1.072 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.820 -7.154 1.192 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.856 -8.269 -0.994 1.00 0.00 C ATOM 0 H ILE A 95 -8.597 -6.517 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.965 -7.525 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.294 -6.056 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.819 -9.040 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.656 -8.058 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.786 -7.354 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.172 -6.266 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.441 -8.007 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.540 -9.148 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.388 -7.380 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.554 -8.377 0.048 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.540 -4.259 -0.304 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.987 -3.061 0.396 1.00 0.00 C ATOM 1430 C ILE A 96 -11.506 -2.934 0.354 1.00 0.00 C ATOM 1431 O ILE A 96 -12.148 -2.681 1.374 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.360 -1.790 -0.205 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.841 -1.808 -0.022 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -9.961 -0.548 0.436 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.131 -0.686 -0.748 1.00 0.00 C ATOM 0 H ILE A 96 -8.944 -4.078 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.662 -3.161 1.431 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.578 -1.766 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.611 -1.745 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.452 -2.763 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.507 0.342 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.036 -0.531 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.771 -0.564 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.058 -0.762 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.331 -0.760 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.492 0.273 -0.377 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.076 -3.114 -0.832 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.521 -3.024 -1.009 1.00 0.00 C ATOM 1449 C LYS A 97 -14.249 -3.894 0.010 1.00 0.00 C ATOM 1450 O LYS A 97 -15.254 -3.480 0.591 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.909 -3.447 -2.427 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.185 -2.794 -2.929 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.371 -3.007 -4.422 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.441 -2.117 -5.232 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.319 -2.580 -6.642 1.00 0.00 N ATOM 0 H LYS A 97 -11.559 -3.323 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.817 -1.987 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.093 -3.201 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.030 -4.530 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.040 -3.205 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.157 -1.726 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.182 -4.052 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.405 -2.798 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.814 -1.093 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.455 -2.104 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.677 -1.947 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.939 -3.548 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.256 -2.568 -7.093 1.00 0.00 H new ATOM 1469 N THR A 98 -13.737 -5.102 0.225 1.00 0.00 N ATOM 1470 CA THR A 98 -14.338 -6.030 1.174 1.00 0.00 C ATOM 1471 C THR A 98 -13.986 -5.654 2.609 1.00 0.00 C ATOM 1472 O THR A 98 -14.738 -5.944 3.538 1.00 0.00 O ATOM 1473 CB THR A 98 -13.884 -7.478 0.909 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.472 -7.594 1.118 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.228 -7.901 -0.511 1.00 0.00 C ATOM 0 H THR A 98 -12.906 -5.460 -0.246 1.00 0.00 H new ATOM 0 HA THR A 98 -15.418 -5.965 1.038 1.00 0.00 H new ATOM 0 HB THR A 98 -14.409 -8.134 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.044 -6.730 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.898 -8.927 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.306 -7.839 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.727 -7.241 -1.219 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.839 -5.006 2.781 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.389 -4.587 4.103 1.00 0.00 C ATOM 1485 C ALA A 99 -13.349 -3.572 4.714 1.00 0.00 C ATOM 1486 O ALA A 99 -13.995 -2.793 4.013 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.985 -4.008 4.024 1.00 0.00 C ATOM 0 H ALA A 99 -12.204 -4.760 2.022 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.372 -5.465 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.662 -3.699 5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.301 -4.764 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.984 -3.145 3.358 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.447 -3.579 6.051 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.326 -2.664 6.786 1.00 0.00 C ATOM 1495 C PRO A 100 -13.837 -1.221 6.731 1.00 0.00 C ATOM 1496 O PRO A 100 -12.720 -0.950 6.288 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.270 -3.193 8.221 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.960 -3.898 8.314 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.706 -4.480 6.950 1.00 0.00 C ATOM 0 HA PRO A 100 -15.331 -2.640 6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.335 -2.381 8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.099 -3.870 8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.165 -3.209 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.990 -4.680 9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.642 -4.499 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.067 -5.506 6.877 1.00 0.00 H new ATOM 1507 N SER A 101 -14.679 -0.298 7.184 1.00 0.00 N ATOM 1508 CA SER A 101 -14.333 1.119 7.184 1.00 0.00 C ATOM 1509 C SER A 101 -12.850 1.316 7.485 1.00 0.00 C ATOM 1510 O SER A 101 -12.096 1.817 6.650 1.00 0.00 O ATOM 1511 CB SER A 101 -15.178 1.873 8.212 1.00 0.00 C ATOM 1512 OG SER A 101 -15.378 3.219 7.819 1.00 0.00 O ATOM 0 H SER A 101 -15.606 -0.506 7.556 1.00 0.00 H new ATOM 0 HA SER A 101 -14.541 1.518 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.142 1.378 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.685 1.844 9.184 1.00 0.00 H new ATOM 0 HG SER A 101 -15.448 3.785 8.616 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.438 0.918 8.684 1.00 0.00 N ATOM 1519 CA LYS A 102 -11.046 1.049 9.097 1.00 0.00 C ATOM 1520 C LYS A 102 -10.186 -0.040 8.465 1.00 0.00 C ATOM 1521 O LYS A 102 -10.451 -1.230 8.633 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.937 0.978 10.622 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.603 1.465 11.160 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.734 2.000 12.576 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.099 3.476 12.583 1.00 0.00 C ATOM 1526 NZ LYS A 102 -11.559 3.687 12.379 1.00 0.00 N ATOM 0 H LYS A 102 -13.049 0.502 9.387 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.682 2.018 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.736 1.574 11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.094 -0.052 10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.883 0.647 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.211 2.247 10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.496 1.433 13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.795 1.854 13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.797 3.920 13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.544 3.991 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.843 4.590 12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.768 3.708 11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.088 2.910 12.825 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.154 0.375 7.737 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.253 -0.565 7.081 1.00 0.00 C ATOM 1542 C VAL A 103 -6.796 -0.228 7.378 1.00 0.00 C ATOM 1543 O VAL A 103 -6.421 0.942 7.457 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.466 -0.575 5.556 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.710 -1.732 4.919 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.949 -0.650 5.225 1.00 0.00 C ATOM 0 H VAL A 103 -8.921 1.357 7.587 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.482 -1.554 7.479 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.073 0.355 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.872 -1.723 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.645 -1.629 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.071 -2.674 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.080 -0.656 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.370 -1.563 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.460 0.215 5.648 1.00 0.00 H new ATOM 1556 N LYS A 104 -5.978 -1.262 7.543 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.560 -1.078 7.829 1.00 0.00 C ATOM 1558 C LYS A 104 -3.722 -1.259 6.568 1.00 0.00 C ATOM 1559 O LYS A 104 -3.746 -2.319 5.941 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.103 -2.067 8.904 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.900 -1.589 9.699 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.227 -2.735 10.435 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.212 -3.445 9.552 1.00 0.00 C ATOM 1564 NZ LYS A 104 -1.056 -4.877 9.927 1.00 0.00 N ATOM 0 H LYS A 104 -6.273 -2.237 7.484 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.418 -0.061 8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.930 -2.253 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.860 -3.018 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.184 -1.116 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.214 -0.830 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.731 -2.354 11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.981 -3.447 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.525 -3.374 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.248 -2.942 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.356 -5.325 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.733 -4.944 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.970 -5.363 9.828 1.00 0.00 H new ATOM 1578 N LEU A 105 -2.980 -0.220 6.202 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.132 -0.265 5.015 1.00 0.00 C ATOM 1580 C LEU A 105 -0.657 -0.294 5.401 1.00 0.00 C ATOM 1581 O LEU A 105 -0.164 0.608 6.080 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.413 0.942 4.118 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.882 1.203 3.785 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.122 2.688 3.557 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.304 0.400 2.564 1.00 0.00 C ATOM 0 H LEU A 105 -2.948 0.664 6.710 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.363 -1.179 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.007 1.831 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.867 0.810 3.184 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.488 0.883 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.173 2.855 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.860 3.242 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.505 3.033 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.353 0.599 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.692 0.688 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.171 -0.663 2.764 1.00 0.00 H new ATOM 1597 N VAL A 106 0.044 -1.334 4.962 1.00 0.00 N ATOM 1598 CA VAL A 106 1.465 -1.479 5.258 1.00 0.00 C ATOM 1599 C VAL A 106 2.305 -1.360 3.992 1.00 0.00 C ATOM 1600 O VAL A 106 2.390 -2.299 3.200 1.00 0.00 O ATOM 1601 CB VAL A 106 1.762 -2.831 5.934 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.250 -2.971 6.217 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.952 -2.976 7.213 1.00 0.00 C ATOM 0 H VAL A 106 -0.349 -2.089 4.400 1.00 0.00 H new ATOM 0 HA VAL A 106 1.730 -0.673 5.943 1.00 0.00 H new ATOM 0 HB VAL A 106 1.469 -3.630 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.441 -3.932 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.805 -2.914 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.572 -2.167 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.174 -3.937 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.212 -2.172 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.111 -2.924 6.978 1.00 0.00 H new ATOM 1613 N PHE A 107 2.926 -0.200 3.807 1.00 0.00 N ATOM 1614 CA PHE A 107 3.760 0.042 2.636 1.00 0.00 C ATOM 1615 C PHE A 107 5.106 0.637 3.041 1.00 0.00 C ATOM 1616 O PHE A 107 5.337 0.935 4.213 1.00 0.00 O ATOM 1617 CB PHE A 107 3.047 0.981 1.661 1.00 0.00 C ATOM 1618 CG PHE A 107 2.825 2.361 2.211 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.873 3.263 2.300 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.568 2.756 2.640 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.671 4.533 2.807 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.360 4.025 3.148 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.413 4.914 3.230 1.00 0.00 C ATOM 0 H PHE A 107 2.867 0.587 4.453 1.00 0.00 H new ATOM 0 HA PHE A 107 3.938 -0.914 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.633 1.054 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.084 0.547 1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.859 2.971 1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.741 2.064 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.496 5.227 2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.376 4.320 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.253 5.907 3.625 1.00 0.00 H new ATOM 1633 N ILE A 108 5.989 0.807 2.063 1.00 0.00 N ATOM 1634 CA ILE A 108 7.311 1.366 2.316 1.00 0.00 C ATOM 1635 C ILE A 108 7.520 2.659 1.535 1.00 0.00 C ATOM 1636 O ILE A 108 7.081 2.783 0.392 1.00 0.00 O ATOM 1637 CB ILE A 108 8.425 0.369 1.945 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.788 0.907 2.385 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.415 0.097 0.448 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.817 -0.176 2.625 1.00 0.00 C ATOM 0 H ILE A 108 5.813 0.566 1.088 1.00 0.00 H new ATOM 0 HA ILE A 108 7.365 1.577 3.384 1.00 0.00 H new ATOM 0 HB ILE A 108 8.241 -0.570 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.163 1.590 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.663 1.487 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.208 -0.609 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.451 -0.324 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.579 1.029 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.758 0.279 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.464 -0.847 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.972 -0.741 1.706 1.00 0.00 H new ATOM 1652 N ARG A 109 8.195 3.619 2.159 1.00 0.00 N ATOM 1653 CA ARG A 109 8.463 4.902 1.522 1.00 0.00 C ATOM 1654 C ARG A 109 9.889 4.954 0.982 1.00 0.00 C ATOM 1655 O ARG A 109 10.851 5.010 1.747 1.00 0.00 O ATOM 1656 CB ARG A 109 8.241 6.045 2.515 1.00 0.00 C ATOM 1657 CG ARG A 109 8.681 7.402 1.991 1.00 0.00 C ATOM 1658 CD ARG A 109 7.592 8.056 1.155 1.00 0.00 C ATOM 1659 NE ARG A 109 6.684 8.858 1.970 1.00 0.00 N ATOM 1660 CZ ARG A 109 7.066 9.925 2.663 1.00 0.00 C ATOM 1661 NH1 ARG A 109 8.333 10.316 2.639 1.00 0.00 N ATOM 1662 NH2 ARG A 109 6.181 10.604 3.382 1.00 0.00 N ATOM 0 H ARG A 109 8.566 3.532 3.105 1.00 0.00 H new ATOM 0 HA ARG A 109 7.772 5.015 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.183 6.090 2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.784 5.827 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.937 8.051 2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.583 7.286 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.050 8.688 0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.025 7.286 0.632 1.00 0.00 H new ATOM 0 HE ARG A 109 5.702 8.584 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.016 9.797 2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.624 11.136 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.205 10.307 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.476 11.423 3.913 1.00 0.00 H new ATOM 1676 N ASN A 110 10.016 4.933 -0.341 1.00 0.00 N ATOM 1677 CA ASN A 110 11.325 4.977 -0.983 1.00 0.00 C ATOM 1678 C ASN A 110 11.318 5.939 -2.167 1.00 0.00 C ATOM 1679 O ASN A 110 10.743 5.646 -3.215 1.00 0.00 O ATOM 1680 CB ASN A 110 11.732 3.578 -1.452 1.00 0.00 C ATOM 1681 CG ASN A 110 12.999 3.594 -2.285 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.642 4.633 -2.438 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.364 2.439 -2.829 1.00 0.00 N ATOM 0 H ASN A 110 9.229 4.886 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 110 12.050 5.334 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.879 2.935 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.921 3.144 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.208 2.388 -3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.801 1.603 -2.676 1.00 0.00 H new ATOM 1690 N GLU A 111 11.961 7.089 -1.991 1.00 0.00 N ATOM 1691 CA GLU A 111 12.028 8.095 -3.045 1.00 0.00 C ATOM 1692 C GLU A 111 12.341 7.451 -4.392 1.00 0.00 C ATOM 1693 O GLU A 111 11.756 7.809 -5.415 1.00 0.00 O ATOM 1694 CB GLU A 111 13.089 9.146 -2.711 1.00 0.00 C ATOM 1695 CG GLU A 111 12.819 10.504 -3.336 1.00 0.00 C ATOM 1696 CD GLU A 111 11.936 11.380 -2.470 1.00 0.00 C ATOM 1697 OE1 GLU A 111 12.084 11.332 -1.231 1.00 0.00 O ATOM 1698 OE2 GLU A 111 11.097 12.115 -3.032 1.00 0.00 O ATOM 0 H GLU A 111 12.442 7.347 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 111 11.054 8.580 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.148 9.259 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.062 8.788 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.766 11.013 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.345 10.365 -4.308 1.00 0.00 H new ATOM 1705 N ASP A 112 13.269 6.500 -4.385 1.00 0.00 N ATOM 1706 CA ASP A 112 13.660 5.805 -5.606 1.00 0.00 C ATOM 1707 C ASP A 112 12.479 5.044 -6.201 1.00 0.00 C ATOM 1708 O ASP A 112 12.363 4.912 -7.419 1.00 0.00 O ATOM 1709 CB ASP A 112 14.813 4.840 -5.322 1.00 0.00 C ATOM 1710 CG ASP A 112 15.650 4.560 -6.554 1.00 0.00 C ATOM 1711 OD1 ASP A 112 15.788 5.470 -7.398 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.168 3.430 -6.675 1.00 0.00 O ATOM 0 H ASP A 112 13.764 6.193 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 112 13.990 6.551 -6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 112 15.449 5.258 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.412 3.902 -4.938 1.00 0.00 H new ATOM 1717 N ALA A 113 11.605 4.545 -5.333 1.00 0.00 N ATOM 1718 CA ALA A 113 10.433 3.799 -5.772 1.00 0.00 C ATOM 1719 C ALA A 113 9.666 4.563 -6.847 1.00 0.00 C ATOM 1720 O ALA A 113 9.231 3.985 -7.843 1.00 0.00 O ATOM 1721 CB ALA A 113 9.526 3.496 -4.589 1.00 0.00 C ATOM 0 H ALA A 113 11.687 4.644 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 113 10.774 2.858 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.655 2.938 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.071 2.902 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.202 4.430 -4.131 1.00 0.00 H new ATOM 1727 N VAL A 114 9.504 5.866 -6.638 1.00 0.00 N ATOM 1728 CA VAL A 114 8.790 6.710 -7.589 1.00 0.00 C ATOM 1729 C VAL A 114 9.264 6.453 -9.015 1.00 0.00 C ATOM 1730 O VAL A 114 8.511 6.629 -9.971 1.00 0.00 O ATOM 1731 CB VAL A 114 8.972 8.204 -7.261 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.537 8.493 -5.832 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.417 8.625 -7.482 1.00 0.00 C ATOM 0 H VAL A 114 9.858 6.360 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 114 7.734 6.454 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 114 8.341 8.786 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.673 9.553 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.486 8.230 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.140 7.903 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.528 9.683 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.070 8.038 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.690 8.455 -8.523 1.00 0.00 H new ATOM 1743 N ASN A 115 10.518 6.034 -9.150 1.00 0.00 N ATOM 1744 CA ASN A 115 11.093 5.752 -10.460 1.00 0.00 C ATOM 1745 C ASN A 115 10.808 4.314 -10.881 1.00 0.00 C ATOM 1746 O ASN A 115 10.387 4.060 -12.010 1.00 0.00 O ATOM 1747 CB ASN A 115 12.603 5.999 -10.441 1.00 0.00 C ATOM 1748 CG ASN A 115 12.947 7.458 -10.208 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.677 8.313 -11.051 1.00 0.00 O ATOM 1750 ND2 ASN A 115 13.547 7.748 -9.059 1.00 0.00 N ATOM 0 H ASN A 115 11.155 5.882 -8.368 1.00 0.00 H new ATOM 0 HA ASN A 115 10.630 6.423 -11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.058 5.392 -9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.034 5.674 -11.388 1.00 0.00 H new ATOM 0 HD21 ASN A 115 13.803 8.712 -8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.752 7.007 -8.389 1.00 0.00 H new ATOM 1757 N GLN A 116 11.039 3.378 -9.967 1.00 0.00 N ATOM 1758 CA GLN A 116 10.806 1.965 -10.244 1.00 0.00 C ATOM 1759 C GLN A 116 9.362 1.725 -10.672 1.00 0.00 C ATOM 1760 O GLN A 116 9.089 0.874 -11.518 1.00 0.00 O ATOM 1761 CB GLN A 116 11.131 1.121 -9.010 1.00 0.00 C ATOM 1762 CG GLN A 116 12.618 1.041 -8.703 1.00 0.00 C ATOM 1763 CD GLN A 116 12.922 0.140 -7.522 1.00 0.00 C ATOM 1764 OE1 GLN A 116 13.130 -1.063 -7.681 1.00 0.00 O ATOM 1765 NE2 GLN A 116 12.949 0.720 -6.327 1.00 0.00 N ATOM 0 H GLN A 116 11.387 3.572 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 116 11.463 1.668 -11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.612 1.539 -8.147 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.744 0.113 -9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 116 13.147 0.673 -9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.997 2.042 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 116 12.771 1.721 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.148 0.165 -5.495 1.00 0.00 H new ATOM 1774 N MET A 117 8.442 2.481 -10.083 1.00 0.00 N ATOM 1775 CA MET A 117 7.025 2.350 -10.405 1.00 0.00 C ATOM 1776 C MET A 117 6.727 2.923 -11.787 1.00 0.00 C ATOM 1777 O MET A 117 7.009 4.090 -12.060 1.00 0.00 O ATOM 1778 CB MET A 117 6.173 3.060 -9.351 1.00 0.00 C ATOM 1779 CG MET A 117 6.455 4.550 -9.245 1.00 0.00 C ATOM 1780 SD MET A 117 5.438 5.361 -7.996 1.00 0.00 S ATOM 1781 CE MET A 117 5.598 7.075 -8.490 1.00 0.00 C ATOM 0 H MET A 117 8.651 3.190 -9.381 1.00 0.00 H new ATOM 0 HA MET A 117 6.775 1.289 -10.409 1.00 0.00 H new ATOM 0 HB2 MET A 117 5.119 2.914 -9.589 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.348 2.595 -8.381 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.508 4.701 -9.005 1.00 0.00 H new ATOM 0 HG3 MET A 117 6.278 5.019 -10.213 1.00 0.00 H new ATOM 0 HE1 MET A 117 6.023 7.652 -7.669 1.00 0.00 H new ATOM 0 HE2 MET A 117 6.252 7.144 -9.359 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.616 7.474 -8.743 1.00 0.00 H new ATOM 1791 N ALA A 118 6.156 2.095 -12.656 1.00 0.00 N ATOM 1792 CA ALA A 118 5.818 2.521 -14.008 1.00 0.00 C ATOM 1793 C ALA A 118 5.400 3.987 -14.034 1.00 0.00 C ATOM 1794 O ALA A 118 5.717 4.716 -14.974 1.00 0.00 O ATOM 1795 CB ALA A 118 4.712 1.644 -14.576 1.00 0.00 C ATOM 0 H ALA A 118 5.918 1.125 -12.447 1.00 0.00 H new ATOM 0 HA ALA A 118 6.707 2.414 -14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.469 1.973 -15.586 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.047 0.607 -14.603 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.826 1.722 -13.946 1.00 0.00 H new