USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 479 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 Single : A 100 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.2!) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= 0.671 (180deg=0.576) USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0103 F(o=-1.6,f=-0.01) USER MOD Single : A 125 THR OG1 : rot -93:sc= 0.564 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 MET CE :methyl 167:sc= -6.15! (180deg=-6.89!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 150:sc= -0.704 USER MOD Single : A 143 LYS NZ :NH3+ -116:sc= -0.0146 (180deg=-0.405) USER MOD Single : A 144 ASN :FLIP amide:sc= -0.629 F(o=-2!,f=-0.63) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl -109:sc= -3.88! (180deg=-9.38!) USER MOD Single : A 158 MET CE :methyl -124:sc= -3.52! (180deg=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.159 14.877 5.629 1.00 0.00 N ATOM 116 CA GLU A 96 56.767 14.841 6.166 1.00 0.00 C ATOM 117 C GLU A 96 55.853 14.060 5.220 1.00 0.00 C ATOM 118 O GLU A 96 55.291 13.045 5.582 1.00 0.00 O ATOM 119 CB GLU A 96 56.335 16.306 6.245 1.00 0.00 C ATOM 120 CG GLU A 96 56.220 16.726 7.711 1.00 0.00 C ATOM 121 CD GLU A 96 55.656 18.145 7.794 1.00 0.00 C ATOM 122 OE1 GLU A 96 55.081 18.591 6.815 1.00 0.00 O ATOM 123 OE2 GLU A 96 55.810 18.763 8.835 1.00 0.00 O ATOM 0 HA GLU A 96 56.712 14.347 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 96 57.059 16.938 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.378 16.442 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 96 55.572 16.034 8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 96 57.198 16.684 8.190 1.00 0.00 H new ATOM 130 N GLU A 97 55.699 14.522 4.009 1.00 0.00 N ATOM 131 CA GLU A 97 54.821 13.799 3.043 1.00 0.00 C ATOM 132 C GLU A 97 55.210 12.319 2.985 1.00 0.00 C ATOM 133 O GLU A 97 54.430 11.449 3.320 1.00 0.00 O ATOM 134 CB GLU A 97 55.073 14.472 1.694 1.00 0.00 C ATOM 135 CG GLU A 97 53.816 15.228 1.260 1.00 0.00 C ATOM 136 CD GLU A 97 54.204 16.626 0.775 1.00 0.00 C ATOM 137 OE1 GLU A 97 54.701 16.731 -0.335 1.00 0.00 O ATOM 138 OE2 GLU A 97 53.998 17.568 1.522 1.00 0.00 O ATOM 0 H GLU A 97 56.142 15.367 3.647 1.00 0.00 H new ATOM 0 HA GLU A 97 53.770 13.842 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.916 15.159 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 97 55.337 13.724 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 97 53.308 14.683 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 97 53.117 15.301 2.093 1.00 0.00 H new ATOM 145 N LEU A 98 56.410 12.026 2.566 1.00 0.00 N ATOM 146 CA LEU A 98 56.846 10.603 2.491 1.00 0.00 C ATOM 147 C LEU A 98 56.500 9.879 3.793 1.00 0.00 C ATOM 148 O LEU A 98 55.729 8.941 3.806 1.00 0.00 O ATOM 149 CB LEU A 98 58.362 10.669 2.298 1.00 0.00 C ATOM 150 CG LEU A 98 58.696 10.637 0.803 1.00 0.00 C ATOM 151 CD1 LEU A 98 58.533 9.212 0.273 1.00 0.00 C ATOM 152 CD2 LEU A 98 57.753 11.574 0.042 1.00 0.00 C ATOM 0 H LEU A 98 57.107 12.710 2.272 1.00 0.00 H new ATOM 0 HA LEU A 98 56.355 10.058 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.756 11.580 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.839 9.830 2.805 1.00 0.00 H new ATOM 0 HG LEU A 98 59.725 10.965 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 98 58.771 9.190 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.208 8.545 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 98 57.504 8.884 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 98 57.994 11.548 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 98 56.722 11.251 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 98 57.871 12.591 0.416 1.00 0.00 H new ATOM 164 N ALA A 99 57.063 10.309 4.889 1.00 0.00 N ATOM 165 CA ALA A 99 56.763 9.647 6.189 1.00 0.00 C ATOM 166 C ALA A 99 55.256 9.404 6.321 1.00 0.00 C ATOM 167 O ALA A 99 54.819 8.328 6.677 1.00 0.00 O ATOM 168 CB ALA A 99 57.247 10.631 7.254 1.00 0.00 C ATOM 0 H ALA A 99 57.717 11.090 4.940 1.00 0.00 H new ATOM 0 HA ALA A 99 57.249 8.676 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 99 57.061 10.216 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.316 10.806 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.710 11.574 7.149 1.00 0.00 H new ATOM 174 N ASN A 100 54.459 10.398 6.036 1.00 0.00 N ATOM 175 CA ASN A 100 52.980 10.224 6.144 1.00 0.00 C ATOM 176 C ASN A 100 52.540 8.969 5.386 1.00 0.00 C ATOM 177 O ASN A 100 51.863 8.114 5.921 1.00 0.00 O ATOM 178 CB ASN A 100 52.385 11.476 5.498 1.00 0.00 C ATOM 179 CG ASN A 100 51.748 12.353 6.577 1.00 0.00 C ATOM 180 OD1 ASN A 100 51.188 11.851 7.532 1.00 0.00 O ATOM 181 ND2 ASN A 100 51.809 13.651 6.465 1.00 0.00 N ATOM 0 H ASN A 100 54.766 11.322 5.733 1.00 0.00 H new ATOM 0 HA ASN A 100 52.652 10.104 7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.162 12.032 4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.638 11.195 4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 100 51.387 14.245 7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 100 52.279 14.072 5.664 1.00 0.00 H new ATOM 188 N CYS A 101 52.918 8.853 4.143 1.00 0.00 N ATOM 189 CA CYS A 101 52.521 7.654 3.350 1.00 0.00 C ATOM 190 C CYS A 101 53.051 6.382 4.017 1.00 0.00 C ATOM 191 O CYS A 101 52.587 5.290 3.750 1.00 0.00 O ATOM 192 CB CYS A 101 53.168 7.852 1.980 1.00 0.00 C ATOM 193 SG CYS A 101 51.893 8.275 0.768 1.00 0.00 S ATOM 0 H CYS A 101 53.485 9.537 3.641 1.00 0.00 H new ATOM 0 HA CYS A 101 51.439 7.547 3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 101 53.915 8.644 2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 101 53.687 6.943 1.676 1.00 0.00 H new ATOM 0 HG CYS A 101 52.442 8.446 -0.398 1.00 0.00 H new ATOM 199 N PHE A 102 54.020 6.514 4.880 1.00 0.00 N ATOM 200 CA PHE A 102 54.580 5.312 5.564 1.00 0.00 C ATOM 201 C PHE A 102 53.463 4.531 6.262 1.00 0.00 C ATOM 202 O PHE A 102 53.273 3.354 6.026 1.00 0.00 O ATOM 203 CB PHE A 102 55.570 5.866 6.590 1.00 0.00 C ATOM 204 CG PHE A 102 56.415 4.739 7.131 1.00 0.00 C ATOM 205 CD1 PHE A 102 57.090 3.885 6.251 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.526 4.547 8.513 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.875 2.840 6.752 1.00 0.00 C ATOM 208 CE2 PHE A 102 57.310 3.502 9.016 1.00 0.00 C ATOM 209 CZ PHE A 102 57.985 2.648 8.134 1.00 0.00 C ATOM 0 H PHE A 102 54.449 7.402 5.142 1.00 0.00 H new ATOM 0 HA PHE A 102 55.058 4.625 4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.205 6.622 6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.033 6.355 7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.005 4.033 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 102 56.006 5.206 9.192 1.00 0.00 H new ATOM 0 HE1 PHE A 102 58.396 2.182 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 102 57.394 3.354 10.083 1.00 0.00 H new ATOM 0 HZ PHE A 102 58.590 1.841 8.521 1.00 0.00 H new ATOM 219 N ARG A 103 52.726 5.177 7.124 1.00 0.00 N ATOM 220 CA ARG A 103 51.623 4.474 7.843 1.00 0.00 C ATOM 221 C ARG A 103 50.634 3.861 6.847 1.00 0.00 C ATOM 222 O ARG A 103 50.183 2.745 7.014 1.00 0.00 O ATOM 223 CB ARG A 103 50.940 5.562 8.670 1.00 0.00 C ATOM 224 CG ARG A 103 51.279 5.369 10.149 1.00 0.00 C ATOM 225 CD ARG A 103 50.982 6.662 10.913 1.00 0.00 C ATOM 226 NE ARG A 103 49.534 6.918 10.682 1.00 0.00 N ATOM 227 CZ ARG A 103 49.118 8.130 10.431 1.00 0.00 C ATOM 228 NH1 ARG A 103 49.207 8.614 9.223 1.00 0.00 N ATOM 229 NH2 ARG A 103 48.612 8.856 11.390 1.00 0.00 N ATOM 0 H ARG A 103 52.839 6.162 7.362 1.00 0.00 H new ATOM 0 HA ARG A 103 51.993 3.656 8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 103 51.268 6.547 8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.861 5.520 8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 103 50.695 4.547 10.563 1.00 0.00 H new ATOM 0 HG3 ARG A 103 52.330 5.101 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 103 51.199 6.552 11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 103 51.593 7.487 10.546 1.00 0.00 H new ATOM 0 HE ARG A 103 48.867 6.147 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 103 49.602 8.046 8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 103 48.882 9.561 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 103 48.542 8.477 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 103 48.287 9.803 11.195 1.00 0.00 H new ATOM 243 N ILE A 104 50.286 4.582 5.817 1.00 0.00 N ATOM 244 CA ILE A 104 49.318 4.040 4.818 1.00 0.00 C ATOM 245 C ILE A 104 49.839 2.719 4.235 1.00 0.00 C ATOM 246 O ILE A 104 49.094 1.777 4.051 1.00 0.00 O ATOM 247 CB ILE A 104 49.219 5.130 3.739 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.134 6.139 4.131 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.853 4.508 2.386 1.00 0.00 C ATOM 250 CD1 ILE A 104 48.295 6.526 5.604 1.00 0.00 C ATOM 0 H ILE A 104 50.629 5.523 5.623 1.00 0.00 H new ATOM 0 HA ILE A 104 48.344 3.817 5.253 1.00 0.00 H new ATOM 0 HB ILE A 104 50.184 5.629 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 104 48.205 7.027 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 104 47.147 5.709 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.786 5.292 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.620 3.790 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.892 4.000 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.522 7.243 5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 104 48.202 5.636 6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 104 49.277 6.974 5.757 1.00 0.00 H new ATOM 262 N PHE A 105 51.108 2.643 3.940 1.00 0.00 N ATOM 263 CA PHE A 105 51.659 1.381 3.367 1.00 0.00 C ATOM 264 C PHE A 105 51.722 0.288 4.439 1.00 0.00 C ATOM 265 O PHE A 105 51.368 -0.849 4.197 1.00 0.00 O ATOM 266 CB PHE A 105 53.064 1.742 2.885 1.00 0.00 C ATOM 267 CG PHE A 105 52.971 2.505 1.585 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.094 2.077 0.580 1.00 0.00 C ATOM 269 CD2 PHE A 105 53.764 3.641 1.384 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.010 2.786 -0.624 1.00 0.00 C ATOM 271 CE2 PHE A 105 53.679 4.349 0.179 1.00 0.00 C ATOM 272 CZ PHE A 105 52.803 3.922 -0.825 1.00 0.00 C ATOM 0 H PHE A 105 51.784 3.395 4.070 1.00 0.00 H new ATOM 0 HA PHE A 105 51.038 0.993 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.574 2.344 3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.656 0.837 2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.483 1.200 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.441 3.971 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.333 2.456 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 105 54.290 5.226 0.024 1.00 0.00 H new ATOM 0 HZ PHE A 105 52.739 4.468 -1.754 1.00 0.00 H new ATOM 282 N ASP A 106 52.167 0.620 5.620 1.00 0.00 N ATOM 283 CA ASP A 106 52.245 -0.409 6.698 1.00 0.00 C ATOM 284 C ASP A 106 50.842 -0.733 7.217 1.00 0.00 C ATOM 285 O ASP A 106 50.262 0.018 7.976 1.00 0.00 O ATOM 286 CB ASP A 106 53.101 0.224 7.797 1.00 0.00 C ATOM 287 CG ASP A 106 53.745 -0.879 8.640 1.00 0.00 C ATOM 288 OD1 ASP A 106 53.957 -1.955 8.106 1.00 0.00 O ATOM 289 OD2 ASP A 106 54.015 -0.629 9.804 1.00 0.00 O ATOM 0 H ASP A 106 52.479 1.554 5.885 1.00 0.00 H new ATOM 0 HA ASP A 106 52.676 -1.346 6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.872 0.855 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.486 0.866 8.427 1.00 0.00 H new ATOM 294 N LYS A 107 50.293 -1.843 6.810 1.00 0.00 N ATOM 295 CA LYS A 107 48.926 -2.217 7.273 1.00 0.00 C ATOM 296 C LYS A 107 48.994 -2.917 8.633 1.00 0.00 C ATOM 297 O LYS A 107 48.217 -2.637 9.524 1.00 0.00 O ATOM 298 CB LYS A 107 48.398 -3.174 6.205 1.00 0.00 C ATOM 299 CG LYS A 107 48.597 -2.555 4.819 1.00 0.00 C ATOM 300 CD LYS A 107 47.870 -1.210 4.750 1.00 0.00 C ATOM 301 CE LYS A 107 47.528 -0.888 3.293 1.00 0.00 C ATOM 302 NZ LYS A 107 46.696 0.346 3.355 1.00 0.00 N ATOM 0 H LYS A 107 50.732 -2.510 6.175 1.00 0.00 H new ATOM 0 HA LYS A 107 48.282 -1.347 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.921 -4.128 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.341 -3.378 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 107 49.660 -2.416 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 107 48.214 -3.227 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.960 -1.245 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 107 48.497 -0.424 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 107 48.430 -0.726 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 107 46.983 -1.708 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.256 0.515 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 45.954 0.229 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 47.296 1.157 3.606 1.00 0.00 H new ATOM 316 N ASN A 108 49.913 -3.827 8.799 1.00 0.00 N ATOM 317 CA ASN A 108 50.024 -4.542 10.102 1.00 0.00 C ATOM 318 C ASN A 108 50.495 -3.579 11.196 1.00 0.00 C ATOM 319 O ASN A 108 50.513 -3.912 12.364 1.00 0.00 O ATOM 320 CB ASN A 108 51.062 -5.641 9.866 1.00 0.00 C ATOM 321 CG ASN A 108 50.571 -6.574 8.758 1.00 0.00 C ATOM 322 OD1 ASN A 108 51.105 -6.496 7.570 1.00 0.00 O flip ATOM 323 ND2 ASN A 108 49.690 -7.383 8.975 1.00 0.00 N flip ATOM 0 H ASN A 108 50.591 -4.107 8.090 1.00 0.00 H new ATOM 0 HA ASN A 108 49.069 -4.951 10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 108 52.019 -5.199 9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 108 51.227 -6.204 10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.272 -7.445 9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 108 49.369 -8.000 8.229 1.00 0.00 H new ATOM 330 N ALA A 109 50.873 -2.386 10.826 1.00 0.00 N ATOM 331 CA ALA A 109 51.336 -1.401 11.845 1.00 0.00 C ATOM 332 C ALA A 109 52.398 -2.032 12.750 1.00 0.00 C ATOM 333 O ALA A 109 52.593 -1.619 13.875 1.00 0.00 O ATOM 334 CB ALA A 109 50.086 -1.055 12.652 1.00 0.00 C ATOM 0 H ALA A 109 50.881 -2.051 9.863 1.00 0.00 H new ATOM 0 HA ALA A 109 51.789 -0.520 11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.342 -0.332 13.427 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.333 -0.627 11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.690 -1.959 13.115 1.00 0.00 H new ATOM 340 N ASP A 110 53.086 -3.031 12.268 1.00 0.00 N ATOM 341 CA ASP A 110 54.132 -3.685 13.103 1.00 0.00 C ATOM 342 C ASP A 110 55.306 -2.727 13.330 1.00 0.00 C ATOM 343 O ASP A 110 56.072 -2.880 14.260 1.00 0.00 O ATOM 344 CB ASP A 110 54.576 -4.907 12.299 1.00 0.00 C ATOM 345 CG ASP A 110 55.187 -4.454 10.974 1.00 0.00 C ATOM 346 OD1 ASP A 110 56.368 -4.149 10.963 1.00 0.00 O ATOM 347 OD2 ASP A 110 54.465 -4.417 9.991 1.00 0.00 O ATOM 0 H ASP A 110 52.969 -3.422 11.333 1.00 0.00 H new ATOM 0 HA ASP A 110 53.760 -3.963 14.089 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.304 -5.485 12.868 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.725 -5.562 12.114 1.00 0.00 H new ATOM 352 N GLY A 111 55.451 -1.736 12.490 1.00 0.00 N ATOM 353 CA GLY A 111 56.574 -0.771 12.670 1.00 0.00 C ATOM 354 C GLY A 111 57.581 -0.926 11.528 1.00 0.00 C ATOM 355 O GLY A 111 58.415 -0.072 11.307 1.00 0.00 O ATOM 0 H GLY A 111 54.843 -1.554 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.189 0.249 12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 111 57.066 -0.946 13.627 1.00 0.00 H new ATOM 359 N PHE A 112 57.511 -2.007 10.801 1.00 0.00 N ATOM 360 CA PHE A 112 58.470 -2.206 9.676 1.00 0.00 C ATOM 361 C PHE A 112 57.804 -2.997 8.547 1.00 0.00 C ATOM 362 O PHE A 112 57.148 -3.994 8.776 1.00 0.00 O ATOM 363 CB PHE A 112 59.636 -2.996 10.275 1.00 0.00 C ATOM 364 CG PHE A 112 60.005 -2.415 11.620 1.00 0.00 C ATOM 365 CD1 PHE A 112 59.327 -2.832 12.771 1.00 0.00 C ATOM 366 CD2 PHE A 112 61.024 -1.459 11.714 1.00 0.00 C ATOM 367 CE1 PHE A 112 59.668 -2.293 14.018 1.00 0.00 C ATOM 368 CE2 PHE A 112 61.365 -0.920 12.961 1.00 0.00 C ATOM 369 CZ PHE A 112 60.687 -1.337 14.113 1.00 0.00 C ATOM 0 H PHE A 112 56.835 -2.759 10.936 1.00 0.00 H new ATOM 0 HA PHE A 112 58.802 -1.261 9.247 1.00 0.00 H new ATOM 0 HB2 PHE A 112 59.360 -4.045 10.384 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.495 -2.961 9.605 1.00 0.00 H new ATOM 0 HD1 PHE A 112 58.541 -3.569 12.698 1.00 0.00 H new ATOM 0 HD2 PHE A 112 61.547 -1.137 10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 112 59.145 -2.615 14.906 1.00 0.00 H new ATOM 0 HE2 PHE A 112 62.151 -0.183 13.034 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.950 -0.921 15.075 1.00 0.00 H new ATOM 379 N ILE A 113 57.967 -2.557 7.330 1.00 0.00 N ATOM 380 CA ILE A 113 57.342 -3.280 6.184 1.00 0.00 C ATOM 381 C ILE A 113 58.217 -4.464 5.762 1.00 0.00 C ATOM 382 O ILE A 113 59.419 -4.344 5.623 1.00 0.00 O ATOM 383 CB ILE A 113 57.263 -2.241 5.066 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.416 -1.054 5.532 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.622 -2.868 3.826 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.930 0.230 4.877 1.00 0.00 C ATOM 0 H ILE A 113 58.506 -1.728 7.078 1.00 0.00 H new ATOM 0 HA ILE A 113 56.363 -3.688 6.433 1.00 0.00 H new ATOM 0 HB ILE A 113 58.268 -1.898 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.370 -1.215 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.462 -0.965 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.567 -2.125 3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.225 -3.713 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.617 -3.213 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.326 1.075 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.970 0.393 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 113 56.861 0.139 3.793 1.00 0.00 H new ATOM 398 N ASP A 114 57.623 -5.609 5.557 1.00 0.00 N ATOM 399 CA ASP A 114 58.419 -6.801 5.143 1.00 0.00 C ATOM 400 C ASP A 114 58.157 -7.124 3.670 1.00 0.00 C ATOM 401 O ASP A 114 57.519 -6.370 2.964 1.00 0.00 O ATOM 402 CB ASP A 114 57.924 -7.941 6.035 1.00 0.00 C ATOM 403 CG ASP A 114 56.463 -8.248 5.706 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.603 -7.527 6.186 1.00 0.00 O ATOM 405 OD2 ASP A 114 56.228 -9.199 4.978 1.00 0.00 O ATOM 0 H ASP A 114 56.621 -5.771 5.658 1.00 0.00 H new ATOM 0 HA ASP A 114 59.491 -6.637 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.537 -8.829 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.021 -7.664 7.085 1.00 0.00 H new ATOM 410 N ILE A 115 58.642 -8.241 3.201 1.00 0.00 N ATOM 411 CA ILE A 115 58.415 -8.610 1.774 1.00 0.00 C ATOM 412 C ILE A 115 56.956 -9.025 1.561 1.00 0.00 C ATOM 413 O ILE A 115 56.327 -8.642 0.594 1.00 0.00 O ATOM 414 CB ILE A 115 59.351 -9.791 1.512 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.262 -10.191 0.037 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.937 -10.977 2.385 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.655 -10.553 -0.480 1.00 0.00 C ATOM 0 H ILE A 115 59.185 -8.913 3.743 1.00 0.00 H new ATOM 0 HA ILE A 115 58.612 -7.778 1.098 1.00 0.00 H new ATOM 0 HB ILE A 115 60.374 -9.503 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 115 58.587 -11.039 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.847 -9.371 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.605 -11.818 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.997 -10.694 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.914 -11.266 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.591 -10.838 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.316 -9.693 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.052 -11.387 0.098 1.00 0.00 H new ATOM 429 N GLU A 116 56.414 -9.805 2.456 1.00 0.00 N ATOM 430 CA GLU A 116 54.998 -10.244 2.304 1.00 0.00 C ATOM 431 C GLU A 116 54.079 -9.025 2.175 1.00 0.00 C ATOM 432 O GLU A 116 53.099 -9.047 1.458 1.00 0.00 O ATOM 433 CB GLU A 116 54.685 -11.020 3.583 1.00 0.00 C ATOM 434 CG GLU A 116 54.170 -12.415 3.221 1.00 0.00 C ATOM 435 CD GLU A 116 52.971 -12.763 4.106 1.00 0.00 C ATOM 436 OE1 GLU A 116 53.099 -12.651 5.313 1.00 0.00 O ATOM 437 OE2 GLU A 116 51.946 -13.135 3.560 1.00 0.00 O ATOM 0 H GLU A 116 56.891 -10.157 3.286 1.00 0.00 H new ATOM 0 HA GLU A 116 54.846 -10.852 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.580 -11.100 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.938 -10.486 4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.881 -12.446 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.961 -13.153 3.356 1.00 0.00 H new ATOM 444 N GLU A 117 54.389 -7.963 2.868 1.00 0.00 N ATOM 445 CA GLU A 117 53.535 -6.743 2.788 1.00 0.00 C ATOM 446 C GLU A 117 53.769 -6.013 1.462 1.00 0.00 C ATOM 447 O GLU A 117 52.843 -5.710 0.739 1.00 0.00 O ATOM 448 CB GLU A 117 53.983 -5.873 3.964 1.00 0.00 C ATOM 449 CG GLU A 117 52.955 -5.966 5.093 1.00 0.00 C ATOM 450 CD GLU A 117 52.650 -4.563 5.622 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.590 -3.838 5.902 1.00 0.00 O ATOM 452 OE2 GLU A 117 51.480 -4.237 5.738 1.00 0.00 O ATOM 0 H GLU A 117 55.197 -7.887 3.486 1.00 0.00 H new ATOM 0 HA GLU A 117 52.472 -6.980 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.960 -6.201 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 117 54.092 -4.837 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.041 -6.436 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.338 -6.594 5.897 1.00 0.00 H new ATOM 459 N LEU A 118 55.003 -5.727 1.145 1.00 0.00 N ATOM 460 CA LEU A 118 55.314 -5.010 -0.128 1.00 0.00 C ATOM 461 C LEU A 118 54.416 -5.500 -1.270 1.00 0.00 C ATOM 462 O LEU A 118 54.109 -4.766 -2.189 1.00 0.00 O ATOM 463 CB LEU A 118 56.775 -5.353 -0.422 1.00 0.00 C ATOM 464 CG LEU A 118 57.547 -4.075 -0.741 1.00 0.00 C ATOM 465 CD1 LEU A 118 57.030 -3.481 -2.051 1.00 0.00 C ATOM 466 CD2 LEU A 118 57.347 -3.066 0.391 1.00 0.00 C ATOM 0 H LEU A 118 55.815 -5.960 1.716 1.00 0.00 H new ATOM 0 HA LEU A 118 55.145 -3.937 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.221 -5.855 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.835 -6.045 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 118 58.608 -4.305 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.581 -2.569 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 118 57.170 -4.201 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 118 55.970 -3.249 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.897 -2.153 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 118 56.286 -2.836 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.715 -3.490 1.325 1.00 0.00 H new ATOM 478 N GLY A 119 54.004 -6.735 -1.228 1.00 0.00 N ATOM 479 CA GLY A 119 53.140 -7.272 -2.318 1.00 0.00 C ATOM 480 C GLY A 119 51.885 -6.406 -2.476 1.00 0.00 C ATOM 481 O GLY A 119 51.472 -6.094 -3.576 1.00 0.00 O ATOM 0 H GLY A 119 54.228 -7.398 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.696 -7.293 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 119 52.855 -8.300 -2.093 1.00 0.00 H new ATOM 485 N GLU A 120 51.267 -6.027 -1.391 1.00 0.00 N ATOM 486 CA GLU A 120 50.029 -5.195 -1.488 1.00 0.00 C ATOM 487 C GLU A 120 50.243 -4.001 -2.427 1.00 0.00 C ATOM 488 O GLU A 120 49.415 -3.707 -3.267 1.00 0.00 O ATOM 489 CB GLU A 120 49.750 -4.716 -0.062 1.00 0.00 C ATOM 490 CG GLU A 120 50.763 -3.644 0.342 1.00 0.00 C ATOM 491 CD GLU A 120 50.576 -3.297 1.819 1.00 0.00 C ATOM 492 OE1 GLU A 120 49.779 -2.417 2.103 1.00 0.00 O ATOM 493 OE2 GLU A 120 51.231 -3.915 2.641 1.00 0.00 O ATOM 0 H GLU A 120 51.563 -6.256 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 120 49.194 -5.764 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.739 -4.314 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.804 -5.557 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.777 -4.003 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.630 -2.753 -0.272 1.00 0.00 H new ATOM 500 N ILE A 121 51.339 -3.310 -2.292 1.00 0.00 N ATOM 501 CA ILE A 121 51.594 -2.135 -3.176 1.00 0.00 C ATOM 502 C ILE A 121 51.632 -2.577 -4.642 1.00 0.00 C ATOM 503 O ILE A 121 50.975 -2.004 -5.490 1.00 0.00 O ATOM 504 CB ILE A 121 52.956 -1.597 -2.734 1.00 0.00 C ATOM 505 CG1 ILE A 121 52.781 -0.778 -1.452 1.00 0.00 C ATOM 506 CG2 ILE A 121 53.542 -0.702 -3.829 1.00 0.00 C ATOM 507 CD1 ILE A 121 53.602 -1.411 -0.327 1.00 0.00 C ATOM 0 H ILE A 121 52.070 -3.506 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 121 50.815 -1.377 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 121 53.632 -2.432 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 121 53.103 0.250 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.728 -0.741 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 121 54.512 -0.322 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 121 53.664 -1.280 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 121 52.868 0.134 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 121 53.478 -0.829 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.259 -2.431 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 121 54.655 -1.425 -0.608 1.00 0.00 H new ATOM 519 N LEU A 122 52.397 -3.589 -4.948 1.00 0.00 N ATOM 520 CA LEU A 122 52.472 -4.061 -6.360 1.00 0.00 C ATOM 521 C LEU A 122 51.143 -4.703 -6.770 1.00 0.00 C ATOM 522 O LEU A 122 50.557 -4.350 -7.773 1.00 0.00 O ATOM 523 CB LEU A 122 53.599 -5.093 -6.372 1.00 0.00 C ATOM 524 CG LEU A 122 54.923 -4.401 -6.043 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.258 -4.610 -4.565 1.00 0.00 C ATOM 526 CD2 LEU A 122 56.035 -4.997 -6.907 1.00 0.00 C ATOM 0 H LEU A 122 52.972 -4.108 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 122 52.660 -3.248 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.396 -5.879 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 122 53.659 -5.572 -7.350 1.00 0.00 H new ATOM 0 HG LEU A 122 54.835 -3.334 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 122 56.202 -4.116 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 122 54.465 -4.186 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.346 -5.677 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 122 56.980 -4.505 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 122 56.122 -6.064 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 122 55.798 -4.847 -7.960 1.00 0.00 H new ATOM 538 N ARG A 123 50.661 -5.639 -5.999 1.00 0.00 N ATOM 539 CA ARG A 123 49.367 -6.294 -6.347 1.00 0.00 C ATOM 540 C ARG A 123 48.306 -5.230 -6.647 1.00 0.00 C ATOM 541 O ARG A 123 47.476 -5.394 -7.519 1.00 0.00 O ATOM 542 CB ARG A 123 48.984 -7.100 -5.106 1.00 0.00 C ATOM 543 CG ARG A 123 49.968 -8.259 -4.925 1.00 0.00 C ATOM 544 CD ARG A 123 49.483 -9.172 -3.796 1.00 0.00 C ATOM 545 NE ARG A 123 48.668 -10.219 -4.473 1.00 0.00 N ATOM 546 CZ ARG A 123 47.465 -10.487 -4.046 1.00 0.00 C ATOM 547 NH1 ARG A 123 47.300 -11.201 -2.967 1.00 0.00 N ATOM 548 NH2 ARG A 123 46.427 -10.040 -4.698 1.00 0.00 N ATOM 0 H ARG A 123 51.105 -5.978 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 123 49.446 -6.926 -7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 123 48.996 -6.458 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 123 47.969 -7.484 -5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.054 -8.825 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 123 50.961 -7.874 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.321 -9.612 -3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 123 48.890 -8.619 -3.068 1.00 0.00 H new ATOM 0 HE ARG A 123 49.051 -10.727 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 123 48.112 -11.550 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 123 46.359 -11.411 -2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 123 46.556 -9.481 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 123 45.486 -10.249 -4.364 1.00 0.00 H new ATOM 562 N ALA A 124 48.330 -4.141 -5.928 1.00 0.00 N ATOM 563 CA ALA A 124 47.328 -3.063 -6.168 1.00 0.00 C ATOM 564 C ALA A 124 47.243 -2.739 -7.662 1.00 0.00 C ATOM 565 O ALA A 124 46.179 -2.499 -8.196 1.00 0.00 O ATOM 566 CB ALA A 124 47.854 -1.857 -5.390 1.00 0.00 C ATOM 0 H ALA A 124 49.001 -3.951 -5.184 1.00 0.00 H new ATOM 0 HA ALA A 124 46.327 -3.352 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 124 47.171 -1.017 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 124 47.928 -2.110 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 124 48.839 -1.582 -5.767 1.00 0.00 H new ATOM 572 N THR A 125 48.358 -2.726 -8.339 1.00 0.00 N ATOM 573 CA THR A 125 48.344 -2.414 -9.797 1.00 0.00 C ATOM 574 C THR A 125 47.507 -3.448 -10.556 1.00 0.00 C ATOM 575 O THR A 125 46.767 -3.116 -11.461 1.00 0.00 O ATOM 576 CB THR A 125 49.809 -2.484 -10.229 1.00 0.00 C ATOM 577 OG1 THR A 125 50.298 -3.802 -10.027 1.00 0.00 O ATOM 578 CG2 THR A 125 50.635 -1.499 -9.401 1.00 0.00 C ATOM 0 H THR A 125 49.279 -2.918 -7.946 1.00 0.00 H new ATOM 0 HA THR A 125 47.903 -1.439 -10.006 1.00 0.00 H new ATOM 0 HB THR A 125 49.889 -2.224 -11.284 1.00 0.00 H new ATOM 0 HG1 THR A 125 50.713 -3.865 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 125 51.679 -1.550 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 125 50.259 -0.488 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 125 50.556 -1.756 -8.345 1.00 0.00 H new ATOM 586 N GLY A 126 47.617 -4.697 -10.195 1.00 0.00 N ATOM 587 CA GLY A 126 46.827 -5.747 -10.898 1.00 0.00 C ATOM 588 C GLY A 126 47.770 -6.812 -11.462 1.00 0.00 C ATOM 589 O GLY A 126 47.341 -7.806 -12.013 1.00 0.00 O ATOM 0 H GLY A 126 48.219 -5.036 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.117 -6.204 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 126 46.245 -5.299 -11.704 1.00 0.00 H new ATOM 593 N GLU A 127 49.054 -6.615 -11.327 1.00 0.00 N ATOM 594 CA GLU A 127 50.021 -7.619 -11.855 1.00 0.00 C ATOM 595 C GLU A 127 50.389 -8.627 -10.762 1.00 0.00 C ATOM 596 O GLU A 127 50.685 -8.260 -9.643 1.00 0.00 O ATOM 597 CB GLU A 127 51.251 -6.809 -12.267 1.00 0.00 C ATOM 598 CG GLU A 127 50.832 -5.697 -13.231 1.00 0.00 C ATOM 599 CD GLU A 127 50.806 -6.243 -14.660 1.00 0.00 C ATOM 600 OE1 GLU A 127 49.864 -6.947 -14.987 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.728 -5.949 -15.403 1.00 0.00 O ATOM 0 H GLU A 127 49.474 -5.803 -10.874 1.00 0.00 H new ATOM 0 HA GLU A 127 49.608 -8.188 -12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 127 51.729 -6.380 -11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.985 -7.459 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 127 49.848 -5.316 -12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 127 51.528 -4.861 -13.163 1.00 0.00 H new ATOM 608 N HIS A 128 50.375 -9.892 -11.079 1.00 0.00 N ATOM 609 CA HIS A 128 50.727 -10.917 -10.057 1.00 0.00 C ATOM 610 C HIS A 128 52.248 -11.022 -9.918 1.00 0.00 C ATOM 611 O HIS A 128 52.833 -12.062 -10.144 1.00 0.00 O ATOM 612 CB HIS A 128 50.144 -12.226 -10.589 1.00 0.00 C ATOM 613 CG HIS A 128 49.284 -12.861 -9.530 1.00 0.00 C ATOM 614 ND1 HIS A 128 49.756 -13.863 -8.698 1.00 0.00 N ATOM 615 CD2 HIS A 128 47.981 -12.645 -9.157 1.00 0.00 C ATOM 616 CE1 HIS A 128 48.752 -14.210 -7.872 1.00 0.00 C ATOM 617 NE2 HIS A 128 47.647 -13.498 -8.110 1.00 0.00 N ATOM 0 H HIS A 128 50.136 -10.260 -12.000 1.00 0.00 H new ATOM 0 HA HIS A 128 50.334 -10.669 -9.071 1.00 0.00 H new ATOM 0 HB2 HIS A 128 49.554 -12.036 -11.485 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.948 -12.905 -10.875 1.00 0.00 H new ATOM 0 HD2 HIS A 128 47.316 -11.923 -9.608 1.00 0.00 H new ATOM 0 HE1 HIS A 128 48.830 -14.971 -7.110 1.00 0.00 H new ATOM 0 HE2 HIS A 128 46.751 -13.565 -7.628 1.00 0.00 H new ATOM 625 N VAL A 129 52.893 -9.948 -9.550 1.00 0.00 N ATOM 626 CA VAL A 129 54.376 -9.983 -9.399 1.00 0.00 C ATOM 627 C VAL A 129 54.802 -11.236 -8.634 1.00 0.00 C ATOM 628 O VAL A 129 53.994 -11.908 -8.023 1.00 0.00 O ATOM 629 CB VAL A 129 54.720 -8.726 -8.600 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.240 -8.587 -8.498 1.00 0.00 C ATOM 631 CG2 VAL A 129 54.142 -7.499 -9.310 1.00 0.00 C ATOM 0 H VAL A 129 52.457 -9.048 -9.347 1.00 0.00 H new ATOM 0 HA VAL A 129 54.888 -10.010 -10.361 1.00 0.00 H new ATOM 0 HB VAL A 129 54.295 -8.802 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 129 56.486 -7.691 -7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.652 -9.461 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.666 -8.510 -9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 129 54.386 -6.601 -8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.569 -7.423 -10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 129 53.059 -7.598 -9.384 1.00 0.00 H new ATOM 641 N ILE A 130 56.067 -11.556 -8.657 1.00 0.00 N ATOM 642 CA ILE A 130 56.544 -12.765 -7.927 1.00 0.00 C ATOM 643 C ILE A 130 57.550 -12.365 -6.845 1.00 0.00 C ATOM 644 O ILE A 130 58.234 -11.366 -6.957 1.00 0.00 O ATOM 645 CB ILE A 130 57.211 -13.638 -8.991 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.305 -12.835 -9.700 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.165 -14.085 -10.013 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.031 -13.734 -10.703 1.00 0.00 C ATOM 0 H ILE A 130 56.791 -11.033 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 130 55.732 -13.291 -7.425 1.00 0.00 H new ATOM 0 HB ILE A 130 57.653 -14.514 -8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 130 57.867 -11.979 -10.214 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.012 -12.441 -8.970 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.640 -14.707 -10.771 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.386 -14.658 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 130 55.722 -13.209 -10.487 1.00 0.00 H new ATOM 0 HD11 ILE A 130 59.810 -13.162 -11.207 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.482 -14.576 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.319 -14.106 -11.440 1.00 0.00 H new ATOM 660 N GLU A 131 57.639 -13.135 -5.796 1.00 0.00 N ATOM 661 CA GLU A 131 58.595 -12.802 -4.699 1.00 0.00 C ATOM 662 C GLU A 131 59.928 -12.307 -5.271 1.00 0.00 C ATOM 663 O GLU A 131 60.455 -11.297 -4.853 1.00 0.00 O ATOM 664 CB GLU A 131 58.791 -14.116 -3.939 1.00 0.00 C ATOM 665 CG GLU A 131 57.782 -14.197 -2.790 1.00 0.00 C ATOM 666 CD GLU A 131 56.889 -15.426 -2.978 1.00 0.00 C ATOM 667 OE1 GLU A 131 57.411 -16.527 -2.921 1.00 0.00 O ATOM 668 OE2 GLU A 131 55.700 -15.244 -3.173 1.00 0.00 O ATOM 0 H GLU A 131 57.090 -13.982 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 131 58.220 -12.005 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.659 -14.962 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.807 -14.175 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 131 58.306 -14.258 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 131 57.173 -13.293 -2.762 1.00 0.00 H new ATOM 675 N GLU A 132 60.479 -13.014 -6.221 1.00 0.00 N ATOM 676 CA GLU A 132 61.781 -12.586 -6.813 1.00 0.00 C ATOM 677 C GLU A 132 61.745 -11.102 -7.193 1.00 0.00 C ATOM 678 O GLU A 132 62.746 -10.416 -7.141 1.00 0.00 O ATOM 679 CB GLU A 132 61.955 -13.454 -8.057 1.00 0.00 C ATOM 680 CG GLU A 132 62.744 -14.712 -7.692 1.00 0.00 C ATOM 681 CD GLU A 132 62.423 -15.826 -8.690 1.00 0.00 C ATOM 682 OE1 GLU A 132 61.474 -15.667 -9.439 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.131 -16.819 -8.686 1.00 0.00 O ATOM 0 H GLU A 132 60.085 -13.869 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 132 62.606 -12.706 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 132 60.981 -13.727 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.478 -12.896 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 132 63.813 -14.499 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 132 62.491 -15.032 -6.681 1.00 0.00 H new ATOM 690 N ASP A 133 60.602 -10.599 -7.569 1.00 0.00 N ATOM 691 CA ASP A 133 60.512 -9.159 -7.947 1.00 0.00 C ATOM 692 C ASP A 133 60.350 -8.311 -6.686 1.00 0.00 C ATOM 693 O ASP A 133 60.984 -7.286 -6.524 1.00 0.00 O ATOM 694 CB ASP A 133 59.270 -9.050 -8.832 1.00 0.00 C ATOM 695 CG ASP A 133 59.675 -8.549 -10.219 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.654 -9.050 -10.746 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.000 -7.671 -10.731 1.00 0.00 O ATOM 0 H ASP A 133 59.728 -11.121 -7.631 1.00 0.00 H new ATOM 0 HA ASP A 133 61.403 -8.807 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 133 58.781 -10.021 -8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 133 58.549 -8.367 -8.383 1.00 0.00 H new ATOM 702 N ILE A 134 59.509 -8.740 -5.789 1.00 0.00 N ATOM 703 CA ILE A 134 59.301 -7.976 -4.529 1.00 0.00 C ATOM 704 C ILE A 134 60.580 -8.001 -3.690 1.00 0.00 C ATOM 705 O ILE A 134 60.943 -7.028 -3.058 1.00 0.00 O ATOM 706 CB ILE A 134 58.179 -8.720 -3.815 1.00 0.00 C ATOM 707 CG1 ILE A 134 56.962 -8.799 -4.736 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.805 -7.975 -2.534 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.762 -9.317 -3.948 1.00 0.00 C ATOM 0 H ILE A 134 58.954 -9.591 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 134 59.055 -6.929 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 134 58.511 -9.727 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.742 -7.815 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.171 -9.460 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.002 -8.508 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.675 -7.917 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.471 -6.968 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 134 54.893 -9.374 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 134 55.985 -10.309 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.549 -8.639 -3.122 1.00 0.00 H new ATOM 721 N GLU A 135 61.261 -9.113 -3.681 1.00 0.00 N ATOM 722 CA GLU A 135 62.520 -9.218 -2.886 1.00 0.00 C ATOM 723 C GLU A 135 63.467 -8.064 -3.225 1.00 0.00 C ATOM 724 O GLU A 135 63.937 -7.356 -2.356 1.00 0.00 O ATOM 725 CB GLU A 135 63.137 -10.556 -3.297 1.00 0.00 C ATOM 726 CG GLU A 135 63.475 -11.369 -2.047 1.00 0.00 C ATOM 727 CD GLU A 135 64.453 -10.581 -1.174 1.00 0.00 C ATOM 728 OE1 GLU A 135 64.111 -9.475 -0.786 1.00 0.00 O ATOM 729 OE2 GLU A 135 65.526 -11.095 -0.906 1.00 0.00 O ATOM 0 H GLU A 135 61.000 -9.957 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 135 62.333 -9.165 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.442 -11.111 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.037 -10.387 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.566 -11.588 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 135 63.914 -12.326 -2.330 1.00 0.00 H new ATOM 736 N ASP A 136 63.758 -7.872 -4.483 1.00 0.00 N ATOM 737 CA ASP A 136 64.680 -6.767 -4.877 1.00 0.00 C ATOM 738 C ASP A 136 64.306 -5.473 -4.149 1.00 0.00 C ATOM 739 O ASP A 136 65.138 -4.829 -3.541 1.00 0.00 O ATOM 740 CB ASP A 136 64.483 -6.608 -6.385 1.00 0.00 C ATOM 741 CG ASP A 136 65.131 -5.304 -6.851 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.333 -5.171 -6.686 1.00 0.00 O ATOM 743 OD2 ASP A 136 64.416 -4.460 -7.365 1.00 0.00 O ATOM 0 H ASP A 136 63.397 -8.432 -5.255 1.00 0.00 H new ATOM 0 HA ASP A 136 65.716 -6.985 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.925 -7.454 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.420 -6.604 -6.625 1.00 0.00 H new ATOM 748 N LEU A 137 63.061 -5.086 -4.208 1.00 0.00 N ATOM 749 CA LEU A 137 62.634 -3.832 -3.522 1.00 0.00 C ATOM 750 C LEU A 137 63.110 -3.828 -2.068 1.00 0.00 C ATOM 751 O LEU A 137 63.555 -2.821 -1.554 1.00 0.00 O ATOM 752 CB LEU A 137 61.107 -3.848 -3.581 1.00 0.00 C ATOM 753 CG LEU A 137 60.624 -2.859 -4.643 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.840 -1.430 -4.145 1.00 0.00 C ATOM 755 CD2 LEU A 137 61.416 -3.073 -5.937 1.00 0.00 C ATOM 0 H LEU A 137 62.320 -5.584 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 137 63.054 -2.944 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.753 -4.852 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.693 -3.584 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 137 59.563 -3.021 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.496 -0.725 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 137 60.278 -1.277 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 137 61.901 -1.268 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 137 61.072 -2.369 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 137 62.477 -2.911 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 137 61.263 -4.092 -6.293 1.00 0.00 H new ATOM 767 N MET A 138 63.015 -4.943 -1.399 1.00 0.00 N ATOM 768 CA MET A 138 63.460 -4.997 0.022 1.00 0.00 C ATOM 769 C MET A 138 64.978 -4.838 0.105 1.00 0.00 C ATOM 770 O MET A 138 65.486 -4.049 0.874 1.00 0.00 O ATOM 771 CB MET A 138 63.035 -6.380 0.519 1.00 0.00 C ATOM 772 CG MET A 138 63.739 -6.685 1.842 1.00 0.00 C ATOM 773 SD MET A 138 63.405 -5.355 3.024 1.00 0.00 S ATOM 774 CE MET A 138 61.599 -5.383 2.891 1.00 0.00 C ATOM 0 H MET A 138 62.649 -5.818 -1.774 1.00 0.00 H new ATOM 0 HA MET A 138 63.024 -4.198 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 138 61.954 -6.413 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.287 -7.138 -0.223 1.00 0.00 H new ATOM 0 HG2 MET A 138 63.389 -7.637 2.241 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.813 -6.782 1.681 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.165 -4.800 3.704 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.298 -4.954 1.936 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.245 -6.412 2.954 1.00 0.00 H new ATOM 784 N LYS A 139 65.706 -5.582 -0.681 1.00 0.00 N ATOM 785 CA LYS A 139 67.191 -5.471 -0.646 1.00 0.00 C ATOM 786 C LYS A 139 67.621 -4.030 -0.928 1.00 0.00 C ATOM 787 O LYS A 139 68.434 -3.463 -0.225 1.00 0.00 O ATOM 788 CB LYS A 139 67.686 -6.405 -1.750 1.00 0.00 C ATOM 789 CG LYS A 139 68.681 -7.410 -1.164 1.00 0.00 C ATOM 790 CD LYS A 139 70.104 -7.008 -1.554 1.00 0.00 C ATOM 791 CE LYS A 139 71.099 -7.646 -0.579 1.00 0.00 C ATOM 792 NZ LYS A 139 71.485 -8.944 -1.203 1.00 0.00 N ATOM 0 H LYS A 139 65.337 -6.262 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 139 67.601 -5.739 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.844 -6.931 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.161 -5.828 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 139 68.585 -7.441 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 139 68.461 -8.412 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 139 70.318 -7.331 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 139 70.205 -5.923 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 139 71.969 -7.007 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 139 70.646 -7.800 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 72.165 -9.436 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 70.639 -9.536 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 71.921 -8.767 -2.131 1.00 0.00 H new ATOM 806 N ASP A 140 67.082 -3.433 -1.956 1.00 0.00 N ATOM 807 CA ASP A 140 67.458 -2.029 -2.290 1.00 0.00 C ATOM 808 C ASP A 140 67.154 -1.098 -1.113 1.00 0.00 C ATOM 809 O ASP A 140 67.838 -0.119 -0.891 1.00 0.00 O ATOM 810 CB ASP A 140 66.591 -1.666 -3.496 1.00 0.00 C ATOM 811 CG ASP A 140 66.791 -0.192 -3.844 1.00 0.00 C ATOM 812 OD1 ASP A 140 67.808 0.124 -4.439 1.00 0.00 O ATOM 813 OD2 ASP A 140 65.923 0.599 -3.509 1.00 0.00 O ATOM 0 H ASP A 140 66.396 -3.858 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 140 68.522 -1.929 -2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.856 -2.291 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.541 -1.859 -3.274 1.00 0.00 H new ATOM 818 N SER A 141 66.130 -1.392 -0.361 1.00 0.00 N ATOM 819 CA SER A 141 65.781 -0.518 0.797 1.00 0.00 C ATOM 820 C SER A 141 66.447 -1.036 2.075 1.00 0.00 C ATOM 821 O SER A 141 66.894 -0.270 2.906 1.00 0.00 O ATOM 822 CB SER A 141 64.262 -0.609 0.915 1.00 0.00 C ATOM 823 OG SER A 141 63.767 0.563 1.549 1.00 0.00 O ATOM 0 H SER A 141 65.520 -2.198 -0.497 1.00 0.00 H new ATOM 0 HA SER A 141 66.121 0.508 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.815 -0.718 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 141 63.983 -1.492 1.490 1.00 0.00 H new ATOM 0 HG SER A 141 62.863 0.755 1.222 1.00 0.00 H new ATOM 829 N ASP A 142 66.512 -2.328 2.240 1.00 0.00 N ATOM 830 CA ASP A 142 67.146 -2.891 3.467 1.00 0.00 C ATOM 831 C ASP A 142 68.539 -2.292 3.672 1.00 0.00 C ATOM 832 O ASP A 142 69.529 -2.828 3.218 1.00 0.00 O ATOM 833 CB ASP A 142 67.243 -4.397 3.210 1.00 0.00 C ATOM 834 CG ASP A 142 66.227 -5.135 4.085 1.00 0.00 C ATOM 835 OD1 ASP A 142 65.663 -4.505 4.965 1.00 0.00 O ATOM 836 OD2 ASP A 142 66.030 -6.318 3.859 1.00 0.00 O ATOM 0 H ASP A 142 66.154 -3.018 1.580 1.00 0.00 H new ATOM 0 HA ASP A 142 66.571 -2.666 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 142 67.054 -4.609 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 142 68.251 -4.749 3.430 1.00 0.00 H new ATOM 841 N LYS A 143 68.622 -1.185 4.358 1.00 0.00 N ATOM 842 CA LYS A 143 69.952 -0.556 4.597 1.00 0.00 C ATOM 843 C LYS A 143 70.723 -1.352 5.654 1.00 0.00 C ATOM 844 O LYS A 143 71.926 -1.238 5.779 1.00 0.00 O ATOM 845 CB LYS A 143 69.637 0.849 5.109 1.00 0.00 C ATOM 846 CG LYS A 143 70.909 1.699 5.085 1.00 0.00 C ATOM 847 CD LYS A 143 70.877 2.630 3.871 1.00 0.00 C ATOM 848 CE LYS A 143 72.076 3.581 3.923 1.00 0.00 C ATOM 849 NZ LYS A 143 71.721 4.602 4.951 1.00 0.00 N ATOM 0 H LYS A 143 67.828 -0.689 4.763 1.00 0.00 H new ATOM 0 HA LYS A 143 70.570 -0.533 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 143 68.868 1.309 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 143 69.241 0.797 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 143 70.987 2.283 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 143 71.788 1.056 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 143 70.903 2.046 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 143 69.948 3.200 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 143 72.988 3.050 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 143 72.253 4.044 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 71.645 5.536 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 70.810 4.353 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.460 4.629 5.683 1.00 0.00 H new ATOM 863 N ASN A 144 70.035 -2.159 6.415 1.00 0.00 N ATOM 864 CA ASN A 144 70.721 -2.965 7.465 1.00 0.00 C ATOM 865 C ASN A 144 70.551 -4.458 7.173 1.00 0.00 C ATOM 866 O ASN A 144 70.858 -5.301 7.992 1.00 0.00 O ATOM 867 CB ASN A 144 70.020 -2.590 8.772 1.00 0.00 C ATOM 868 CG ASN A 144 69.830 -1.072 8.835 1.00 0.00 C ATOM 869 OD1 ASN A 144 68.870 -0.518 8.145 1.00 0.00 O flip ATOM 870 ND2 ASN A 144 70.562 -0.384 9.518 1.00 0.00 N flip ATOM 0 H ASN A 144 69.026 -2.295 6.355 1.00 0.00 H new ATOM 0 HA ASN A 144 71.792 -2.768 7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 144 69.054 -3.091 8.835 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.610 -2.929 9.623 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.312 -0.817 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 144 70.427 0.626 9.552 1.00 0.00 H new ATOM 877 N ASN A 145 70.061 -4.790 6.009 1.00 0.00 N ATOM 878 CA ASN A 145 69.869 -6.225 5.660 1.00 0.00 C ATOM 879 C ASN A 145 69.002 -6.918 6.716 1.00 0.00 C ATOM 880 O ASN A 145 69.312 -7.999 7.174 1.00 0.00 O ATOM 881 CB ASN A 145 71.276 -6.821 5.643 1.00 0.00 C ATOM 882 CG ASN A 145 72.133 -6.083 4.613 1.00 0.00 C ATOM 883 OD1 ASN A 145 72.747 -5.081 4.924 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.203 -6.538 3.392 1.00 0.00 N ATOM 0 H ASN A 145 69.785 -4.127 5.284 1.00 0.00 H new ATOM 0 HA ASN A 145 69.362 -6.352 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.728 -6.741 6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 145 71.229 -7.882 5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 145 72.773 -6.053 2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 145 71.688 -7.379 3.131 1.00 0.00 H new ATOM 891 N ASP A 146 67.917 -6.304 7.104 1.00 0.00 N ATOM 892 CA ASP A 146 67.030 -6.932 8.126 1.00 0.00 C ATOM 893 C ASP A 146 65.748 -7.445 7.464 1.00 0.00 C ATOM 894 O ASP A 146 64.767 -7.732 8.122 1.00 0.00 O ATOM 895 CB ASP A 146 66.714 -5.816 9.122 1.00 0.00 C ATOM 896 CG ASP A 146 66.141 -4.609 8.376 1.00 0.00 C ATOM 897 OD1 ASP A 146 66.914 -3.906 7.745 1.00 0.00 O ATOM 898 OD2 ASP A 146 64.940 -4.408 8.450 1.00 0.00 O ATOM 0 H ASP A 146 67.606 -5.396 6.758 1.00 0.00 H new ATOM 0 HA ASP A 146 67.500 -7.786 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.999 -6.170 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 146 67.617 -5.528 9.660 1.00 0.00 H new ATOM 903 N GLY A 147 65.753 -7.567 6.164 1.00 0.00 N ATOM 904 CA GLY A 147 64.542 -8.067 5.452 1.00 0.00 C ATOM 905 C GLY A 147 63.312 -7.264 5.884 1.00 0.00 C ATOM 906 O GLY A 147 62.220 -7.789 5.976 1.00 0.00 O ATOM 0 H GLY A 147 66.546 -7.341 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.682 -7.982 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 147 64.392 -9.124 5.671 1.00 0.00 H new ATOM 910 N ARG A 148 63.475 -5.995 6.144 1.00 0.00 N ATOM 911 CA ARG A 148 62.306 -5.165 6.564 1.00 0.00 C ATOM 912 C ARG A 148 62.578 -3.686 6.280 1.00 0.00 C ATOM 913 O ARG A 148 63.563 -3.129 6.722 1.00 0.00 O ATOM 914 CB ARG A 148 62.162 -5.407 8.067 1.00 0.00 C ATOM 915 CG ARG A 148 61.087 -6.468 8.315 1.00 0.00 C ATOM 916 CD ARG A 148 60.901 -6.667 9.821 1.00 0.00 C ATOM 917 NE ARG A 148 61.386 -8.049 10.087 1.00 0.00 N ATOM 918 CZ ARG A 148 61.734 -8.398 11.296 1.00 0.00 C ATOM 919 NH1 ARG A 148 62.831 -7.924 11.822 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.986 -9.221 11.978 1.00 0.00 N ATOM 0 H ARG A 148 64.363 -5.497 6.085 1.00 0.00 H new ATOM 0 HA ARG A 148 61.398 -5.430 6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 148 63.114 -5.734 8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.894 -4.478 8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.146 -6.160 7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.375 -7.409 7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.470 -5.932 10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 148 59.856 -6.553 10.109 1.00 0.00 H new ATOM 0 HE ARG A 148 61.446 -8.724 9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 148 63.416 -7.281 11.288 1.00 0.00 H new ATOM 0 HH12 ARG A 148 63.103 -8.197 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 148 60.129 -9.592 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 148 61.258 -9.494 12.923 1.00 0.00 H new ATOM 934 N ILE A 149 61.709 -3.043 5.544 1.00 0.00 N ATOM 935 CA ILE A 149 61.917 -1.598 5.232 1.00 0.00 C ATOM 936 C ILE A 149 61.389 -0.730 6.378 1.00 0.00 C ATOM 937 O ILE A 149 60.264 -0.873 6.811 1.00 0.00 O ATOM 938 CB ILE A 149 61.110 -1.346 3.955 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.871 -1.900 2.749 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.900 0.159 3.771 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.899 -2.637 1.825 1.00 0.00 C ATOM 0 H ILE A 149 60.865 -3.456 5.146 1.00 0.00 H new ATOM 0 HA ILE A 149 62.971 -1.351 5.103 1.00 0.00 H new ATOM 0 HB ILE A 149 60.144 -1.843 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.358 -1.088 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.657 -2.578 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.326 0.338 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.357 0.558 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.868 0.654 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.442 -3.031 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.433 -3.459 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.129 -1.946 1.482 1.00 0.00 H new ATOM 953 N ASP A 150 62.192 0.175 6.869 1.00 0.00 N ATOM 954 CA ASP A 150 61.732 1.055 7.981 1.00 0.00 C ATOM 955 C ASP A 150 61.516 2.481 7.468 1.00 0.00 C ATOM 956 O ASP A 150 61.545 2.735 6.280 1.00 0.00 O ATOM 957 CB ASP A 150 62.860 1.017 9.012 1.00 0.00 C ATOM 958 CG ASP A 150 64.145 1.565 8.387 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.131 1.841 7.199 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.120 1.698 9.107 1.00 0.00 O ATOM 0 H ASP A 150 63.146 0.343 6.548 1.00 0.00 H new ATOM 0 HA ASP A 150 60.785 0.724 8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.588 1.609 9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.018 -0.005 9.356 1.00 0.00 H new ATOM 965 N PHE A 151 61.298 3.413 8.354 1.00 0.00 N ATOM 966 CA PHE A 151 61.077 4.824 7.920 1.00 0.00 C ATOM 967 C PHE A 151 62.332 5.370 7.231 1.00 0.00 C ATOM 968 O PHE A 151 62.252 6.107 6.269 1.00 0.00 O ATOM 969 CB PHE A 151 60.792 5.591 9.211 1.00 0.00 C ATOM 970 CG PHE A 151 60.773 7.074 8.927 1.00 0.00 C ATOM 971 CD1 PHE A 151 60.095 7.564 7.805 1.00 0.00 C ATOM 972 CD2 PHE A 151 61.433 7.959 9.788 1.00 0.00 C ATOM 973 CE1 PHE A 151 60.076 8.940 7.543 1.00 0.00 C ATOM 974 CE2 PHE A 151 61.415 9.334 9.526 1.00 0.00 C ATOM 975 CZ PHE A 151 60.736 9.824 8.404 1.00 0.00 C ATOM 0 H PHE A 151 61.263 3.260 9.362 1.00 0.00 H new ATOM 0 HA PHE A 151 60.261 4.915 7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 151 59.835 5.278 9.628 1.00 0.00 H new ATOM 0 HB3 PHE A 151 61.554 5.363 9.957 1.00 0.00 H new ATOM 0 HD1 PHE A 151 59.586 6.881 7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.956 7.581 10.654 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.553 9.318 6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 151 61.925 10.017 10.189 1.00 0.00 H new ATOM 0 HZ PHE A 151 60.722 10.885 8.203 1.00 0.00 H new ATOM 985 N ASP A 152 63.489 5.015 7.718 1.00 0.00 N ATOM 986 CA ASP A 152 64.747 5.515 7.092 1.00 0.00 C ATOM 987 C ASP A 152 64.938 4.893 5.704 1.00 0.00 C ATOM 988 O ASP A 152 65.154 5.584 4.728 1.00 0.00 O ATOM 989 CB ASP A 152 65.863 5.067 8.038 1.00 0.00 C ATOM 990 CG ASP A 152 66.573 6.296 8.609 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.545 7.327 7.959 1.00 0.00 O ATOM 992 OD2 ASP A 152 67.135 6.182 9.686 1.00 0.00 O ATOM 0 H ASP A 152 63.618 4.401 8.522 1.00 0.00 H new ATOM 0 HA ASP A 152 64.736 6.596 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 152 65.449 4.465 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 152 66.575 4.438 7.505 1.00 0.00 H new ATOM 997 N GLU A 153 64.863 3.594 5.610 1.00 0.00 N ATOM 998 CA GLU A 153 65.043 2.928 4.286 1.00 0.00 C ATOM 999 C GLU A 153 63.989 3.419 3.289 1.00 0.00 C ATOM 1000 O GLU A 153 64.291 3.724 2.151 1.00 0.00 O ATOM 1001 CB GLU A 153 64.855 1.436 4.566 1.00 0.00 C ATOM 1002 CG GLU A 153 65.958 0.946 5.506 1.00 0.00 C ATOM 1003 CD GLU A 153 65.598 -0.444 6.036 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.112 -1.246 5.253 1.00 0.00 O ATOM 1005 OE2 GLU A 153 65.813 -0.684 7.212 1.00 0.00 O ATOM 0 H GLU A 153 64.685 2.964 6.392 1.00 0.00 H new ATOM 0 HA GLU A 153 66.017 3.146 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 153 63.877 1.260 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 153 64.883 0.874 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 153 66.911 0.910 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.080 1.643 6.335 1.00 0.00 H new ATOM 1012 N PHE A 154 62.754 3.491 3.703 1.00 0.00 N ATOM 1013 CA PHE A 154 61.681 3.953 2.775 1.00 0.00 C ATOM 1014 C PHE A 154 62.076 5.271 2.101 1.00 0.00 C ATOM 1015 O PHE A 154 62.125 5.366 0.891 1.00 0.00 O ATOM 1016 CB PHE A 154 60.452 4.157 3.659 1.00 0.00 C ATOM 1017 CG PHE A 154 59.205 3.887 2.850 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.096 2.703 2.110 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.162 4.819 2.837 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.941 2.452 1.358 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.007 4.568 2.086 1.00 0.00 C ATOM 1022 CZ PHE A 154 56.897 3.384 1.346 1.00 0.00 C ATOM 0 H PHE A 154 62.441 3.250 4.643 1.00 0.00 H new ATOM 0 HA PHE A 154 61.500 3.234 1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.493 3.489 4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.434 5.175 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.902 1.984 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 154 58.248 5.733 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.856 1.539 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 154 56.201 5.287 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.007 3.190 0.766 1.00 0.00 H new ATOM 1032 N LEU A 155 62.345 6.287 2.876 1.00 0.00 N ATOM 1033 CA LEU A 155 62.727 7.604 2.282 1.00 0.00 C ATOM 1034 C LEU A 155 63.652 7.406 1.077 1.00 0.00 C ATOM 1035 O LEU A 155 63.303 7.730 -0.041 1.00 0.00 O ATOM 1036 CB LEU A 155 63.450 8.348 3.404 1.00 0.00 C ATOM 1037 CG LEU A 155 62.418 9.008 4.320 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.100 9.492 5.601 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.787 10.201 3.597 1.00 0.00 C ATOM 0 H LEU A 155 62.317 6.263 3.895 1.00 0.00 H new ATOM 0 HA LEU A 155 61.861 8.156 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.070 7.656 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.117 9.102 2.985 1.00 0.00 H new ATOM 0 HG LEU A 155 61.645 8.283 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.362 9.962 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 155 63.550 8.644 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 155 63.875 10.216 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.051 10.673 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.562 10.923 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.298 9.857 2.686 1.00 0.00 H new ATOM 1051 N LYS A 156 64.824 6.872 1.288 1.00 0.00 N ATOM 1052 CA LYS A 156 65.753 6.656 0.141 1.00 0.00 C ATOM 1053 C LYS A 156 65.086 5.763 -0.908 1.00 0.00 C ATOM 1054 O LYS A 156 65.338 5.881 -2.091 1.00 0.00 O ATOM 1055 CB LYS A 156 66.977 5.963 0.740 1.00 0.00 C ATOM 1056 CG LYS A 156 68.134 6.959 0.830 1.00 0.00 C ATOM 1057 CD LYS A 156 68.785 7.114 -0.547 1.00 0.00 C ATOM 1058 CE LYS A 156 69.679 5.906 -0.828 1.00 0.00 C ATOM 1059 NZ LYS A 156 69.290 5.449 -2.192 1.00 0.00 N ATOM 0 H LYS A 156 65.177 6.577 2.198 1.00 0.00 H new ATOM 0 HA LYS A 156 66.023 7.588 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.740 5.574 1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.264 5.111 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 156 67.770 7.924 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.870 6.612 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 156 68.017 7.198 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.373 8.031 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 156 70.734 6.178 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.524 5.120 -0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 69.861 4.621 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 68.283 5.191 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 69.455 6.216 -2.875 1.00 0.00 H new ATOM 1073 N MET A 157 64.232 4.874 -0.481 1.00 0.00 N ATOM 1074 CA MET A 157 63.542 3.974 -1.447 1.00 0.00 C ATOM 1075 C MET A 157 62.622 4.797 -2.357 1.00 0.00 C ATOM 1076 O MET A 157 62.527 4.558 -3.545 1.00 0.00 O ATOM 1077 CB MET A 157 62.760 2.986 -0.555 1.00 0.00 C ATOM 1078 CG MET A 157 61.243 3.175 -0.686 1.00 0.00 C ATOM 1079 SD MET A 157 60.690 2.539 -2.289 1.00 0.00 S ATOM 1080 CE MET A 157 61.070 0.796 -1.984 1.00 0.00 C ATOM 0 H MET A 157 63.982 4.732 0.498 1.00 0.00 H new ATOM 0 HA MET A 157 64.221 3.445 -2.115 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.023 1.964 -0.828 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.055 3.125 0.485 1.00 0.00 H new ATOM 0 HG2 MET A 157 60.730 2.652 0.121 1.00 0.00 H new ATOM 0 HG3 MET A 157 60.988 4.231 -0.594 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.927 0.499 -2.588 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.303 0.654 -0.929 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.209 0.184 -2.251 1.00 0.00 H new ATOM 1090 N MET A 158 61.947 5.763 -1.802 1.00 0.00 N ATOM 1091 CA MET A 158 61.032 6.607 -2.623 1.00 0.00 C ATOM 1092 C MET A 158 61.615 8.013 -2.786 1.00 0.00 C ATOM 1093 O MET A 158 60.941 9.004 -2.576 1.00 0.00 O ATOM 1094 CB MET A 158 59.724 6.654 -1.833 1.00 0.00 C ATOM 1095 CG MET A 158 58.931 5.369 -2.078 1.00 0.00 C ATOM 1096 SD MET A 158 57.182 5.775 -2.305 1.00 0.00 S ATOM 1097 CE MET A 158 56.509 4.187 -1.754 1.00 0.00 C ATOM 0 H MET A 158 61.989 6.006 -0.812 1.00 0.00 H new ATOM 0 HA MET A 158 60.887 6.207 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 158 59.934 6.767 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 158 59.135 7.520 -2.136 1.00 0.00 H new ATOM 0 HG2 MET A 158 59.314 4.855 -2.960 1.00 0.00 H new ATOM 0 HG3 MET A 158 59.051 4.688 -1.235 1.00 0.00 H new ATOM 0 HE1 MET A 158 55.877 3.768 -2.537 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.327 3.499 -1.542 1.00 0.00 H new ATOM 0 HE3 MET A 158 55.917 4.336 -0.851 1.00 0.00 H new