USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 705 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 366 MET CE :methyl 150:sc= -1.35 (180deg=-2.6!) USER MOD Set 1.2: A 405 ASN : amide:sc= -1.78 K(o=-3.1,f=-8.4!) USER MOD Set 2.1: A 370 MET CE :methyl -146:sc= -0.526 (180deg=-1.81!) USER MOD Set 2.2: A 372 LYS NZ :NH3+ -147:sc= -0.31 (180deg=0) USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 371 GLN : amide:sc= -4.57! C(o=-4.6!,f=-5.6!) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.56) USER MOD Single : A 381 LYS NZ :NH3+ 166:sc= -0.0366 (180deg=-0.302) USER MOD Single : A 383 TYR OH : rot 125:sc= 0.363 USER MOD Single : A 391 THR OG1 : rot -85:sc= 2.1 USER MOD Single : A 393 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.3) USER MOD Single : A 396 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.045) USER MOD Single : A 399 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot -160:sc= -1.58! USER MOD Single : A 403 THR OG1 : rot 180:sc= -2.04 USER MOD Single : A 412 TYR OH : rot -38:sc= 0.0953 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= 0.585 K(o=0.58,f=-3.2!) USER MOD Single : A 416 TYR OH : rot 169:sc= -1.32 USER MOD Single : A 420 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : A 430 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-1.2) USER MOD Single : A 433 SER OG : rot -15:sc= 0.649 USER MOD Single : A 435 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.9!) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 1.101 -26.771 0.122 1.00 11.64 N ATOM 2 CA GLY A 363 -0.156 -26.223 0.701 1.00 11.03 C ATOM 3 C GLY A 363 -0.775 -25.145 -0.167 1.00 10.23 C ATOM 4 O GLY A 363 -0.074 -24.276 -0.684 1.00 10.21 O ATOM 0 HA2 GLY A 363 -0.873 -27.033 0.835 1.00 11.03 H new ATOM 0 HA3 GLY A 363 0.052 -25.814 1.690 1.00 11.03 H new ATOM 10 N SER A 364 -2.094 -25.203 -0.326 1.00 9.80 N ATOM 11 CA SER A 364 -2.813 -24.226 -1.137 1.00 9.25 C ATOM 12 C SER A 364 -2.638 -22.818 -0.575 1.00 8.36 C ATOM 13 O SER A 364 -2.438 -21.863 -1.326 1.00 8.24 O ATOM 14 CB SER A 364 -4.299 -24.581 -1.202 1.00 9.60 C ATOM 15 OG SER A 364 -5.014 -23.642 -1.988 1.00 9.86 O ATOM 0 H SER A 364 -2.687 -25.917 0.097 1.00 9.80 H new ATOM 0 HA SER A 364 -2.397 -24.250 -2.144 1.00 9.25 H new ATOM 0 HB2 SER A 364 -4.420 -25.579 -1.623 1.00 9.60 H new ATOM 0 HB3 SER A 364 -4.714 -24.608 -0.195 1.00 9.60 H new ATOM 0 HG SER A 364 -5.961 -23.892 -2.015 1.00 9.86 H new ATOM 21 N HIS A 365 -2.716 -22.704 0.750 1.00 7.98 N ATOM 22 CA HIS A 365 -2.571 -21.419 1.431 1.00 7.35 C ATOM 23 C HIS A 365 -3.709 -20.471 1.066 1.00 6.30 C ATOM 24 O HIS A 365 -4.053 -20.317 -0.106 1.00 6.44 O ATOM 25 CB HIS A 365 -1.223 -20.775 1.093 1.00 7.88 C ATOM 26 CG HIS A 365 -1.011 -19.450 1.758 1.00 7.65 C ATOM 27 ND1 HIS A 365 -1.028 -19.283 3.128 1.00 7.18 N ATOM 28 CD2 HIS A 365 -0.776 -18.222 1.235 1.00 8.07 C ATOM 29 CE1 HIS A 365 -0.814 -18.013 3.417 1.00 7.26 C ATOM 30 NE2 HIS A 365 -0.656 -17.347 2.288 1.00 7.79 N ATOM 0 H HIS A 365 -2.880 -23.492 1.377 1.00 7.98 H new ATOM 0 HA HIS A 365 -2.611 -21.607 2.504 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -0.422 -21.453 1.387 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -1.151 -20.646 0.013 1.00 7.88 H new ATOM 0 HD2 HIS A 365 -0.698 -17.977 0.186 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -0.775 -17.590 4.410 1.00 7.26 H new ATOM 0 HE2 HIS A 365 -0.474 -16.346 2.210 1.00 7.79 H new ATOM 39 N MET A 366 -4.287 -19.835 2.081 1.00 5.51 N ATOM 40 CA MET A 366 -5.387 -18.900 1.875 1.00 4.67 C ATOM 41 C MET A 366 -5.761 -18.226 3.190 1.00 4.56 C ATOM 42 O MET A 366 -5.713 -18.849 4.251 1.00 4.71 O ATOM 43 CB MET A 366 -6.603 -19.622 1.292 1.00 4.15 C ATOM 44 CG MET A 366 -7.700 -18.681 0.824 1.00 3.72 C ATOM 45 SD MET A 366 -7.137 -17.559 -0.470 1.00 3.31 S ATOM 46 CE MET A 366 -8.634 -16.637 -0.801 1.00 2.76 C ATOM 0 H MET A 366 -4.011 -19.951 3.056 1.00 5.51 H new ATOM 0 HA MET A 366 -5.062 -18.137 1.167 1.00 4.67 H new ATOM 0 HB2 MET A 366 -6.282 -20.238 0.453 1.00 4.15 H new ATOM 0 HB3 MET A 366 -7.011 -20.296 2.045 1.00 4.15 H new ATOM 0 HG2 MET A 366 -8.542 -19.265 0.453 1.00 3.72 H new ATOM 0 HG3 MET A 366 -8.063 -18.100 1.672 1.00 3.72 H new ATOM 0 HE1 MET A 366 -8.376 -15.630 -1.130 1.00 2.76 H new ATOM 0 HE2 MET A 366 -9.205 -17.139 -1.582 1.00 2.76 H new ATOM 0 HE3 MET A 366 -9.234 -16.579 0.107 1.00 2.76 H new ATOM 56 N ASP A 367 -6.127 -16.948 3.117 1.00 4.67 N ATOM 57 CA ASP A 367 -6.500 -16.191 4.308 1.00 4.80 C ATOM 58 C ASP A 367 -7.583 -16.916 5.102 1.00 4.50 C ATOM 59 O ASP A 367 -8.712 -17.059 4.632 1.00 4.10 O ATOM 60 CB ASP A 367 -6.987 -14.793 3.912 1.00 4.92 C ATOM 61 CG ASP A 367 -8.191 -14.834 2.991 1.00 5.55 C ATOM 62 OD1 ASP A 367 -8.074 -15.404 1.887 1.00 6.06 O ATOM 63 OD2 ASP A 367 -9.252 -14.298 3.376 1.00 5.80 O ATOM 0 H ASP A 367 -6.173 -16.417 2.247 1.00 4.67 H new ATOM 0 HA ASP A 367 -5.618 -16.098 4.941 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -7.241 -14.233 4.812 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -6.176 -14.256 3.420 1.00 4.92 H new ATOM 68 N PRO A 368 -7.257 -17.411 6.316 1.00 4.98 N ATOM 69 CA PRO A 368 -8.217 -18.137 7.133 1.00 5.12 C ATOM 70 C PRO A 368 -9.180 -17.237 7.903 1.00 5.15 C ATOM 71 O PRO A 368 -9.473 -17.488 9.073 1.00 5.66 O ATOM 72 CB PRO A 368 -7.333 -18.933 8.089 1.00 5.90 C ATOM 73 CG PRO A 368 -6.115 -18.093 8.258 1.00 6.16 C ATOM 74 CD PRO A 368 -5.934 -17.335 6.965 1.00 5.69 C ATOM 0 HA PRO A 368 -8.875 -18.750 6.517 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -7.833 -19.104 9.043 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -7.086 -19.912 7.679 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -6.230 -17.407 9.097 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -5.243 -18.712 8.470 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -5.638 -16.302 7.147 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -5.159 -17.785 6.344 1.00 5.69 H new ATOM 82 N LEU A 369 -9.672 -16.203 7.227 1.00 4.84 N ATOM 83 CA LEU A 369 -10.614 -15.246 7.810 1.00 5.12 C ATOM 84 C LEU A 369 -10.714 -14.036 6.903 1.00 4.61 C ATOM 85 O LEU A 369 -11.779 -13.713 6.375 1.00 4.91 O ATOM 86 CB LEU A 369 -10.151 -14.817 9.218 1.00 5.80 C ATOM 87 CG LEU A 369 -10.956 -13.697 9.903 1.00 6.34 C ATOM 88 CD1 LEU A 369 -10.549 -12.322 9.383 1.00 6.73 C ATOM 89 CD2 LEU A 369 -12.452 -13.918 9.717 1.00 6.94 C ATOM 0 H LEU A 369 -9.430 -16.002 6.257 1.00 4.84 H new ATOM 0 HA LEU A 369 -11.592 -15.717 7.904 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -10.172 -15.694 9.864 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -9.112 -14.496 9.150 1.00 5.80 H new ATOM 0 HG LEU A 369 -10.730 -13.731 10.969 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -11.136 -11.554 9.887 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -9.490 -12.157 9.581 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -10.730 -12.271 8.309 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -13.002 -13.116 10.209 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -12.690 -13.922 8.653 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -12.736 -14.874 10.156 1.00 6.94 H new ATOM 101 N MET A 370 -9.570 -13.390 6.738 1.00 4.12 N ATOM 102 CA MET A 370 -9.420 -12.205 5.911 1.00 3.87 C ATOM 103 C MET A 370 -8.082 -11.565 6.250 1.00 3.02 C ATOM 104 O MET A 370 -7.975 -10.355 6.432 1.00 3.06 O ATOM 105 CB MET A 370 -10.559 -11.208 6.148 1.00 4.63 C ATOM 106 CG MET A 370 -10.511 -10.020 5.210 1.00 5.03 C ATOM 107 SD MET A 370 -11.742 -8.766 5.593 1.00 5.63 S ATOM 108 CE MET A 370 -11.211 -7.480 4.472 1.00 5.52 C ATOM 0 H MET A 370 -8.701 -13.682 7.186 1.00 4.12 H new ATOM 0 HA MET A 370 -9.456 -12.489 4.859 1.00 3.87 H new ATOM 0 HB2 MET A 370 -11.514 -11.720 6.028 1.00 4.63 H new ATOM 0 HB3 MET A 370 -10.515 -10.853 7.178 1.00 4.63 H new ATOM 0 HG2 MET A 370 -9.519 -9.571 5.253 1.00 5.03 H new ATOM 0 HG3 MET A 370 -10.660 -10.366 4.187 1.00 5.03 H new ATOM 0 HE1 MET A 370 -11.392 -6.505 4.925 1.00 5.52 H new ATOM 0 HE2 MET A 370 -10.146 -7.593 4.267 1.00 5.52 H new ATOM 0 HE3 MET A 370 -11.770 -7.556 3.539 1.00 5.52 H new ATOM 118 N GLN A 371 -7.071 -12.410 6.375 1.00 2.80 N ATOM 119 CA GLN A 371 -5.732 -11.961 6.733 1.00 2.63 C ATOM 120 C GLN A 371 -5.014 -11.286 5.563 1.00 2.21 C ATOM 121 O GLN A 371 -3.865 -11.610 5.259 1.00 2.80 O ATOM 122 CB GLN A 371 -4.899 -13.130 7.270 1.00 3.46 C ATOM 123 CG GLN A 371 -4.868 -14.348 6.359 1.00 3.91 C ATOM 124 CD GLN A 371 -3.636 -15.214 6.575 1.00 4.54 C ATOM 125 OE1 GLN A 371 -3.417 -16.186 5.852 1.00 4.97 O ATOM 126 NE2 GLN A 371 -2.827 -14.873 7.574 1.00 5.04 N ATOM 0 H GLN A 371 -7.152 -13.417 6.233 1.00 2.80 H new ATOM 0 HA GLN A 371 -5.844 -11.213 7.518 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -3.877 -12.788 7.434 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -5.295 -13.427 8.241 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -5.762 -14.947 6.530 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -4.898 -14.020 5.320 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -3.043 -14.060 8.151 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -1.990 -15.424 7.763 1.00 5.04 H new ATOM 135 N LYS A 372 -5.689 -10.334 4.925 1.00 1.82 N ATOM 136 CA LYS A 372 -5.107 -9.603 3.812 1.00 1.77 C ATOM 137 C LYS A 372 -5.476 -8.122 3.882 1.00 1.50 C ATOM 138 O LYS A 372 -6.052 -7.557 2.953 1.00 1.89 O ATOM 139 CB LYS A 372 -5.536 -10.226 2.483 1.00 2.26 C ATOM 140 CG LYS A 372 -6.999 -10.651 2.422 1.00 2.93 C ATOM 141 CD LYS A 372 -7.933 -9.471 2.209 1.00 3.98 C ATOM 142 CE LYS A 372 -9.368 -9.929 2.010 1.00 4.77 C ATOM 143 NZ LYS A 372 -10.286 -8.784 1.756 1.00 5.39 N ATOM 0 H LYS A 372 -6.640 -10.053 5.163 1.00 1.82 H new ATOM 0 HA LYS A 372 -4.021 -9.672 3.880 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -5.346 -9.510 1.683 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -4.910 -11.097 2.287 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -7.133 -11.369 1.613 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -7.266 -11.161 3.348 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -7.879 -8.802 3.068 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -7.608 -8.900 1.339 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -9.414 -10.624 1.172 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -9.702 -10.473 2.894 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -11.221 -8.992 2.162 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -9.900 -7.925 2.197 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -10.379 -8.634 0.731 1.00 5.39 H new ATOM 157 N ILE A 373 -5.109 -7.501 4.998 1.00 1.42 N ATOM 158 CA ILE A 373 -5.362 -6.086 5.232 1.00 1.22 C ATOM 159 C ILE A 373 -6.854 -5.755 5.179 1.00 1.13 C ATOM 160 O ILE A 373 -7.421 -5.558 4.103 1.00 1.20 O ATOM 161 CB ILE A 373 -4.606 -5.218 4.210 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.095 -5.413 4.367 1.00 1.40 C ATOM 163 CG2 ILE A 373 -4.981 -3.749 4.369 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.272 -4.639 3.359 1.00 1.48 C ATOM 0 H ILE A 373 -4.627 -7.967 5.767 1.00 1.42 H new ATOM 0 HA ILE A 373 -4.999 -5.863 6.235 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.893 -5.532 3.207 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -2.801 -5.110 5.372 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -2.863 -6.474 4.274 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.436 -3.153 3.637 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.052 -3.628 4.210 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.723 -3.414 5.374 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.213 -4.827 3.533 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.537 -4.959 2.351 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.474 -3.573 3.466 1.00 1.48 H new ATOM 176 N ASP A 374 -7.481 -5.684 6.352 1.00 1.16 N ATOM 177 CA ASP A 374 -8.902 -5.363 6.448 1.00 1.17 C ATOM 178 C ASP A 374 -9.108 -3.855 6.544 1.00 1.03 C ATOM 179 O ASP A 374 -8.378 -3.164 7.255 1.00 1.25 O ATOM 180 CB ASP A 374 -9.520 -6.047 7.669 1.00 1.40 C ATOM 181 CG ASP A 374 -9.366 -7.552 7.622 1.00 1.77 C ATOM 182 OD1 ASP A 374 -8.781 -8.059 6.642 1.00 2.04 O ATOM 183 OD2 ASP A 374 -9.831 -8.222 8.565 1.00 2.17 O ATOM 0 H ASP A 374 -7.025 -5.845 7.250 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.394 -5.728 5.547 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.050 -5.664 8.575 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.579 -5.794 7.728 1.00 1.40 H new ATOM 188 N ILE A 375 -10.102 -3.348 5.824 1.00 0.84 N ATOM 189 CA ILE A 375 -10.400 -1.921 5.831 1.00 0.76 C ATOM 190 C ILE A 375 -11.513 -1.590 6.812 1.00 0.76 C ATOM 191 O ILE A 375 -11.420 -0.635 7.584 1.00 0.79 O ATOM 192 CB ILE A 375 -10.846 -1.436 4.446 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.742 -1.660 3.413 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.241 0.030 4.518 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.230 -1.527 1.989 1.00 0.92 C ATOM 0 H ILE A 375 -10.715 -3.904 5.228 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.478 -1.420 6.127 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.714 -2.014 4.130 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.940 -0.942 3.585 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.316 -2.653 3.554 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.557 0.370 3.532 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.062 0.151 5.224 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.387 0.621 4.849 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.400 -1.697 1.303 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -11.012 -2.263 1.802 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.630 -0.525 1.834 1.00 0.92 H new ATOM 207 N SER A 376 -12.574 -2.382 6.753 1.00 0.79 N ATOM 208 CA SER A 376 -13.735 -2.190 7.607 1.00 0.87 C ATOM 209 C SER A 376 -13.347 -2.141 9.078 1.00 0.96 C ATOM 210 O SER A 376 -14.113 -1.669 9.918 1.00 1.54 O ATOM 211 CB SER A 376 -14.748 -3.307 7.360 1.00 0.95 C ATOM 212 OG SER A 376 -15.343 -3.181 6.081 1.00 1.71 O ATOM 0 H SER A 376 -12.653 -3.173 6.114 1.00 0.79 H new ATOM 0 HA SER A 376 -14.186 -1.230 7.356 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.254 -4.275 7.441 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.520 -3.278 8.128 1.00 0.95 H new ATOM 0 HG SER A 376 -15.986 -3.908 5.946 1.00 1.71 H new ATOM 218 N GLU A 377 -12.158 -2.635 9.384 1.00 0.93 N ATOM 219 CA GLU A 377 -11.676 -2.652 10.757 1.00 1.03 C ATOM 220 C GLU A 377 -11.240 -1.266 11.225 1.00 0.87 C ATOM 221 O GLU A 377 -11.495 -0.885 12.367 1.00 0.93 O ATOM 222 CB GLU A 377 -10.524 -3.645 10.917 1.00 1.18 C ATOM 223 CG GLU A 377 -9.304 -3.311 10.076 1.00 1.28 C ATOM 224 CD GLU A 377 -8.166 -4.293 10.281 1.00 1.54 C ATOM 225 OE1 GLU A 377 -8.334 -5.236 11.082 1.00 1.90 O ATOM 226 OE2 GLU A 377 -7.108 -4.119 9.640 1.00 1.92 O ATOM 0 H GLU A 377 -11.510 -3.029 8.702 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.509 -2.970 11.384 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -10.231 -3.681 11.966 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -10.876 -4.641 10.650 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -9.585 -3.301 9.023 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -8.961 -2.306 10.324 1.00 1.28 H new ATOM 233 N ASN A 378 -10.573 -0.520 10.349 1.00 0.71 N ATOM 234 CA ASN A 378 -10.094 0.815 10.697 1.00 0.61 C ATOM 235 C ASN A 378 -9.928 1.702 9.467 1.00 0.58 C ATOM 236 O ASN A 378 -8.810 1.970 9.027 1.00 0.59 O ATOM 237 CB ASN A 378 -8.767 0.725 11.454 1.00 0.62 C ATOM 238 CG ASN A 378 -8.940 0.404 12.927 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.162 -0.358 13.501 1.00 1.16 O ATOM 240 ND2 ASN A 378 -9.933 1.020 13.560 1.00 2.14 N ATOM 0 H ASN A 378 -10.353 -0.815 9.398 1.00 0.71 H new ATOM 0 HA ASN A 378 -10.849 1.271 11.338 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.144 -0.041 10.992 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.235 1.671 11.355 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.072 0.869 14.559 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.556 1.644 13.047 1.00 2.14 H new ATOM 247 N PRO A 379 -11.048 2.181 8.900 1.00 0.62 N ATOM 248 CA PRO A 379 -11.028 3.057 7.722 1.00 0.65 C ATOM 249 C PRO A 379 -10.152 4.289 7.935 1.00 0.61 C ATOM 250 O PRO A 379 -9.422 4.711 7.038 1.00 0.62 O ATOM 251 CB PRO A 379 -12.492 3.477 7.574 1.00 0.77 C ATOM 252 CG PRO A 379 -13.265 2.381 8.215 1.00 0.85 C ATOM 253 CD PRO A 379 -12.423 1.918 9.366 1.00 0.75 C ATOM 0 HA PRO A 379 -10.617 2.555 6.846 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.681 4.433 8.062 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.766 3.595 6.526 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.238 2.735 8.557 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.451 1.569 7.512 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.651 2.467 10.279 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.581 0.861 9.582 1.00 0.75 H new ATOM 261 N ASP A 380 -10.237 4.861 9.133 1.00 0.62 N ATOM 262 CA ASP A 380 -9.466 6.050 9.482 1.00 0.64 C ATOM 263 C ASP A 380 -7.972 5.743 9.553 1.00 0.55 C ATOM 264 O ASP A 380 -7.144 6.567 9.166 1.00 0.55 O ATOM 265 CB ASP A 380 -9.944 6.613 10.821 1.00 0.75 C ATOM 266 CG ASP A 380 -11.405 7.024 10.792 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.042 6.875 9.728 1.00 1.21 O ATOM 268 OD2 ASP A 380 -11.912 7.493 11.833 1.00 1.20 O ATOM 0 H ASP A 380 -10.837 4.517 9.883 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.624 6.792 8.699 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.796 5.865 11.599 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.333 7.475 11.088 1.00 0.75 H new ATOM 273 N LYS A 381 -7.639 4.560 10.060 1.00 0.51 N ATOM 274 CA LYS A 381 -6.244 4.143 10.196 1.00 0.47 C ATOM 275 C LYS A 381 -5.479 4.336 8.890 1.00 0.39 C ATOM 276 O LYS A 381 -5.923 3.899 7.829 1.00 0.37 O ATOM 277 CB LYS A 381 -6.179 2.681 10.631 1.00 0.50 C ATOM 278 CG LYS A 381 -4.770 2.190 10.900 1.00 0.52 C ATOM 279 CD LYS A 381 -4.778 0.773 11.446 1.00 0.59 C ATOM 280 CE LYS A 381 -3.371 0.287 11.743 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.683 1.148 12.743 1.00 1.66 N ATOM 0 H LYS A 381 -8.317 3.870 10.385 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.775 4.768 10.956 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.778 2.552 11.532 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.630 2.060 9.857 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.188 2.225 9.979 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.280 2.854 11.612 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.377 0.735 12.356 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.251 0.106 10.725 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.412 -0.737 12.114 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.791 0.269 10.820 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.833 0.662 13.094 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.408 2.047 12.297 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.326 1.338 13.538 1.00 1.66 H new ATOM 295 N ILE A 382 -4.327 4.995 8.980 1.00 0.40 N ATOM 296 CA ILE A 382 -3.495 5.251 7.809 1.00 0.35 C ATOM 297 C ILE A 382 -2.518 4.104 7.565 1.00 0.34 C ATOM 298 O ILE A 382 -1.840 3.652 8.487 1.00 0.41 O ATOM 299 CB ILE A 382 -2.688 6.556 7.967 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.611 7.724 8.334 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.920 6.862 6.689 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.674 8.015 7.298 1.00 0.37 C ATOM 0 H ILE A 382 -3.948 5.362 9.853 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.171 5.343 6.959 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.972 6.421 8.778 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.095 7.506 9.286 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.007 8.619 8.481 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.356 7.786 6.816 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.233 6.044 6.473 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.621 6.976 5.862 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.286 8.854 7.630 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.199 8.266 6.350 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.304 7.136 7.167 1.00 0.37 H new ATOM 314 N TYR A 383 -2.435 3.650 6.317 1.00 0.30 N ATOM 315 CA TYR A 383 -1.520 2.572 5.964 1.00 0.30 C ATOM 316 C TYR A 383 -0.343 3.128 5.174 1.00 0.28 C ATOM 317 O TYR A 383 -0.505 4.049 4.380 1.00 0.25 O ATOM 318 CB TYR A 383 -2.238 1.493 5.144 1.00 0.32 C ATOM 319 CG TYR A 383 -3.421 0.867 5.852 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.565 1.609 6.120 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.390 -0.461 6.260 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.645 1.044 6.772 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.467 -1.032 6.912 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.600 -0.289 7.138 1.00 0.52 C ATOM 325 OH TYR A 383 -6.664 -0.842 7.814 1.00 0.63 O ATOM 0 H TYR A 383 -2.987 4.010 5.539 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.154 2.117 6.884 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.579 1.931 4.206 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.524 0.710 4.889 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.611 2.644 5.814 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.510 -1.057 6.065 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.518 1.640 6.994 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.418 -2.059 7.243 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.984 -1.631 7.330 1.00 0.63 H new ATOM 335 N PHE A 384 0.844 2.575 5.394 1.00 0.31 N ATOM 336 CA PHE A 384 2.031 3.042 4.687 1.00 0.30 C ATOM 337 C PHE A 384 2.220 2.276 3.383 1.00 0.28 C ATOM 338 O PHE A 384 2.316 1.049 3.381 1.00 0.33 O ATOM 339 CB PHE A 384 3.275 2.902 5.567 1.00 0.40 C ATOM 340 CG PHE A 384 3.172 3.624 6.884 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.337 3.153 7.884 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.914 4.771 7.121 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.242 3.813 9.094 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.822 5.435 8.329 1.00 0.64 C ATOM 345 CZ PHE A 384 2.980 4.960 9.314 1.00 0.74 C ATOM 0 H PHE A 384 1.010 1.811 6.049 1.00 0.31 H new ATOM 0 HA PHE A 384 1.889 4.097 4.451 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.457 1.844 5.756 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.139 3.282 5.022 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.754 2.260 7.716 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.571 5.150 6.352 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.591 3.433 9.867 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.409 6.325 8.502 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.898 5.484 10.255 1.00 0.74 H new ATOM 355 N ILE A 385 2.272 3.008 2.273 1.00 0.26 N ATOM 356 CA ILE A 385 2.446 2.397 0.961 1.00 0.27 C ATOM 357 C ILE A 385 3.856 2.624 0.426 1.00 0.24 C ATOM 358 O ILE A 385 4.303 3.762 0.284 1.00 0.30 O ATOM 359 CB ILE A 385 1.425 2.940 -0.065 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.009 2.468 0.277 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.799 2.503 -1.474 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.544 3.048 1.560 1.00 0.32 C ATOM 0 H ILE A 385 2.196 4.025 2.257 1.00 0.26 H new ATOM 0 HA ILE A 385 2.278 1.328 1.094 1.00 0.27 H new ATOM 0 HB ILE A 385 1.446 4.029 -0.020 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.658 2.730 -0.544 1.00 0.32 H new ATOM 0 HG13 ILE A 385 0.009 1.381 0.353 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.069 2.895 -2.182 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.788 2.887 -1.723 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.808 1.414 -1.527 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.550 2.664 1.729 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.098 2.764 2.394 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.579 4.135 1.483 1.00 0.32 H new ATOM 374 N ARG A 386 4.543 1.531 0.117 1.00 0.29 N ATOM 375 CA ARG A 386 5.895 1.598 -0.420 1.00 0.30 C ATOM 376 C ARG A 386 5.861 1.812 -1.929 1.00 0.33 C ATOM 377 O ARG A 386 5.339 0.975 -2.666 1.00 0.42 O ATOM 378 CB ARG A 386 6.644 0.304 -0.094 1.00 0.38 C ATOM 379 CG ARG A 386 8.018 0.204 -0.737 1.00 0.50 C ATOM 380 CD ARG A 386 8.656 -1.150 -0.465 1.00 1.02 C ATOM 381 NE ARG A 386 9.944 -1.304 -1.141 1.00 1.40 N ATOM 382 CZ ARG A 386 11.013 -0.554 -0.887 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.962 0.400 0.032 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.140 -0.763 -1.553 1.00 2.39 N ATOM 0 H ARG A 386 4.183 0.583 0.230 1.00 0.29 H new ATOM 0 HA ARG A 386 6.413 2.441 0.038 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.754 0.223 0.987 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.040 -0.544 -0.418 1.00 0.38 H new ATOM 0 HG2 ARG A 386 7.931 0.358 -1.813 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.661 0.996 -0.352 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.795 -1.274 0.609 1.00 1.02 H new ATOM 0 HD3 ARG A 386 7.980 -1.940 -0.792 1.00 1.02 H new ATOM 0 HE ARG A 386 10.028 -2.031 -1.851 1.00 1.40 H new ATOM 0 HH11 ARG A 386 10.099 0.563 0.550 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.786 0.971 0.221 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.186 -1.498 -2.259 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.961 -0.189 -1.360 1.00 2.39 H new ATOM 398 N ARG A 387 6.421 2.927 -2.393 1.00 0.41 N ATOM 399 CA ARG A 387 6.443 3.215 -3.823 1.00 0.51 C ATOM 400 C ARG A 387 7.419 2.289 -4.541 1.00 0.49 C ATOM 401 O ARG A 387 8.332 1.738 -3.926 1.00 0.47 O ATOM 402 CB ARG A 387 6.799 4.677 -4.091 1.00 0.63 C ATOM 403 CG ARG A 387 5.795 5.664 -3.518 1.00 0.84 C ATOM 404 CD ARG A 387 5.894 7.020 -4.200 1.00 0.94 C ATOM 405 NE ARG A 387 7.253 7.553 -4.176 1.00 1.32 N ATOM 406 CZ ARG A 387 7.598 8.717 -4.721 1.00 1.79 C ATOM 407 NH1 ARG A 387 6.686 9.469 -5.322 1.00 2.30 N ATOM 408 NH2 ARG A 387 8.857 9.130 -4.665 1.00 2.25 N ATOM 0 H ARG A 387 6.860 3.637 -1.807 1.00 0.41 H new ATOM 0 HA ARG A 387 5.441 3.038 -4.213 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.782 4.886 -3.669 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.874 4.832 -5.167 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.786 5.269 -3.637 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.968 5.780 -2.448 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.559 6.930 -5.233 1.00 0.94 H new ATOM 0 HD3 ARG A 387 5.222 7.722 -3.707 1.00 0.94 H new ATOM 0 HE ARG A 387 7.978 7.003 -3.716 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.716 9.156 -5.368 1.00 2.30 H new ATOM 0 HH12 ARG A 387 6.954 10.361 -5.739 1.00 2.30 H new ATOM 0 HH21 ARG A 387 9.562 8.555 -4.204 1.00 2.25 H new ATOM 0 HH22 ARG A 387 9.120 10.022 -5.083 1.00 2.25 H new ATOM 422 N GLU A 388 7.207 2.112 -5.842 1.00 0.64 N ATOM 423 CA GLU A 388 8.055 1.239 -6.649 1.00 0.69 C ATOM 424 C GLU A 388 9.538 1.539 -6.439 1.00 0.61 C ATOM 425 O GLU A 388 10.354 0.623 -6.352 1.00 0.63 O ATOM 426 CB GLU A 388 7.700 1.381 -8.133 1.00 0.88 C ATOM 427 CG GLU A 388 7.861 2.795 -8.666 1.00 1.58 C ATOM 428 CD GLU A 388 7.509 2.908 -10.136 1.00 2.20 C ATOM 429 OE1 GLU A 388 8.155 2.222 -10.956 1.00 2.82 O ATOM 430 OE2 GLU A 388 6.584 3.679 -10.468 1.00 2.65 O ATOM 0 H GLU A 388 6.453 2.563 -6.361 1.00 0.64 H new ATOM 0 HA GLU A 388 7.872 0.214 -6.327 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.331 0.709 -8.715 1.00 0.88 H new ATOM 0 HB3 GLU A 388 6.669 1.060 -8.283 1.00 0.88 H new ATOM 0 HG2 GLU A 388 7.227 3.470 -8.092 1.00 1.58 H new ATOM 0 HG3 GLU A 388 8.891 3.120 -8.517 1.00 1.58 H new ATOM 437 N ASP A 389 9.883 2.822 -6.361 1.00 0.65 N ATOM 438 CA ASP A 389 11.274 3.222 -6.166 1.00 0.69 C ATOM 439 C ASP A 389 11.779 2.805 -4.785 1.00 0.64 C ATOM 440 O ASP A 389 12.940 2.426 -4.632 1.00 0.91 O ATOM 441 CB ASP A 389 11.432 4.733 -6.346 1.00 0.81 C ATOM 442 CG ASP A 389 10.609 5.527 -5.353 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.369 5.387 -5.365 1.00 1.06 O ATOM 444 OD2 ASP A 389 11.206 6.290 -4.564 1.00 1.23 O ATOM 0 H ASP A 389 9.224 3.597 -6.429 1.00 0.65 H new ATOM 0 HA ASP A 389 11.874 2.712 -6.920 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.483 5.000 -6.237 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.137 5.007 -7.359 1.00 0.81 H new ATOM 449 N GLY A 390 10.904 2.875 -3.783 1.00 0.55 N ATOM 450 CA GLY A 390 11.295 2.495 -2.436 1.00 0.53 C ATOM 451 C GLY A 390 10.795 3.466 -1.381 1.00 0.55 C ATOM 452 O GLY A 390 10.489 3.069 -0.256 1.00 1.03 O ATOM 0 H GLY A 390 9.937 3.186 -3.879 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.909 1.499 -2.218 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.382 2.435 -2.382 1.00 0.53 H new ATOM 456 N THR A 391 10.730 4.742 -1.742 1.00 0.57 N ATOM 457 CA THR A 391 10.282 5.785 -0.823 1.00 0.54 C ATOM 458 C THR A 391 8.866 5.535 -0.316 1.00 0.41 C ATOM 459 O THR A 391 7.897 5.569 -1.078 1.00 0.44 O ATOM 460 CB THR A 391 10.353 7.177 -1.472 1.00 0.71 C ATOM 461 OG1 THR A 391 9.588 7.197 -2.682 1.00 0.98 O ATOM 462 CG2 THR A 391 11.795 7.554 -1.765 1.00 0.88 C ATOM 0 H THR A 391 10.983 5.082 -2.670 1.00 0.57 H new ATOM 0 HA THR A 391 10.963 5.753 0.027 1.00 0.54 H new ATOM 0 HB THR A 391 9.936 7.904 -0.775 1.00 0.71 H new ATOM 0 HG1 THR A 391 10.139 6.870 -3.423 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.827 8.542 -2.224 1.00 0.88 H new ATOM 0 HG22 THR A 391 12.364 7.568 -0.835 1.00 0.88 H new ATOM 0 HG23 THR A 391 12.231 6.823 -2.446 1.00 0.88 H new ATOM 470 N VAL A 392 8.765 5.277 0.983 1.00 0.37 N ATOM 471 CA VAL A 392 7.485 5.016 1.629 1.00 0.33 C ATOM 472 C VAL A 392 6.620 6.275 1.679 1.00 0.32 C ATOM 473 O VAL A 392 7.128 7.382 1.850 1.00 0.41 O ATOM 474 CB VAL A 392 7.691 4.501 3.065 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.356 4.200 3.730 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.585 3.270 3.068 1.00 0.52 C ATOM 0 H VAL A 392 9.565 5.243 1.615 1.00 0.37 H new ATOM 0 HA VAL A 392 6.978 4.256 1.035 1.00 0.33 H new ATOM 0 HB VAL A 392 8.184 5.284 3.640 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.528 3.838 4.744 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.755 5.108 3.766 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.828 3.438 3.157 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.719 2.920 4.092 1.00 0.52 H new ATOM 0 HG22 VAL A 392 8.122 2.483 2.473 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.555 3.524 2.641 1.00 0.52 H new ATOM 486 N HIS A 393 5.310 6.089 1.536 1.00 0.29 N ATOM 487 CA HIS A 393 4.360 7.199 1.570 1.00 0.31 C ATOM 488 C HIS A 393 3.000 6.729 2.077 1.00 0.27 C ATOM 489 O HIS A 393 2.459 5.731 1.601 1.00 0.26 O ATOM 490 CB HIS A 393 4.222 7.826 0.180 1.00 0.37 C ATOM 491 CG HIS A 393 5.397 8.665 -0.215 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.746 9.827 0.441 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.312 8.503 -1.201 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.821 10.345 -0.125 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.184 9.560 -1.122 1.00 1.82 N ATOM 0 H HIS A 393 4.880 5.175 1.395 1.00 0.29 H new ATOM 0 HA HIS A 393 4.741 7.954 2.257 1.00 0.31 H new ATOM 0 HB2 HIS A 393 4.088 7.033 -0.556 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.322 8.440 0.155 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.348 7.694 -1.915 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.318 11.255 0.176 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.984 9.714 -1.735 1.00 1.82 H new ATOM 504 N ARG A 394 2.464 7.452 3.055 1.00 0.29 N ATOM 505 CA ARG A 394 1.173 7.118 3.653 1.00 0.28 C ATOM 506 C ARG A 394 0.064 7.022 2.610 1.00 0.26 C ATOM 507 O ARG A 394 0.133 7.641 1.548 1.00 0.32 O ATOM 508 CB ARG A 394 0.802 8.148 4.719 1.00 0.35 C ATOM 509 CG ARG A 394 1.709 8.109 5.939 1.00 0.42 C ATOM 510 CD ARG A 394 1.337 9.184 6.946 1.00 0.52 C ATOM 511 NE ARG A 394 2.139 9.096 8.166 1.00 1.34 N ATOM 512 CZ ARG A 394 3.462 9.243 8.196 1.00 2.01 C ATOM 513 NH1 ARG A 394 4.133 9.508 7.082 1.00 2.41 N ATOM 514 NH2 ARG A 394 4.117 9.130 9.345 1.00 2.96 N ATOM 0 H ARG A 394 2.907 8.280 3.454 1.00 0.29 H new ATOM 0 HA ARG A 394 1.274 6.136 4.115 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.840 9.145 4.279 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.227 7.978 5.035 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.643 7.129 6.411 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.745 8.244 5.628 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.473 10.166 6.494 1.00 0.52 H new ATOM 0 HD3 ARG A 394 0.281 9.093 7.200 1.00 0.52 H new ATOM 0 HE ARG A 394 1.656 8.911 9.045 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.635 9.600 6.196 1.00 2.41 H new ATOM 0 HH12 ARG A 394 5.146 9.620 7.111 1.00 2.41 H new ATOM 0 HH21 ARG A 394 3.607 8.930 10.205 1.00 2.96 H new ATOM 0 HH22 ARG A 394 5.131 9.243 9.367 1.00 2.96 H new ATOM 528 N GLY A 395 -0.957 6.232 2.933 1.00 0.23 N ATOM 529 CA GLY A 395 -2.083 6.043 2.037 1.00 0.25 C ATOM 530 C GLY A 395 -3.171 5.184 2.659 1.00 0.23 C ATOM 531 O GLY A 395 -2.886 4.153 3.271 1.00 0.26 O ATOM 0 H GLY A 395 -1.023 5.715 3.810 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.498 7.014 1.768 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.737 5.577 1.114 1.00 0.25 H new ATOM 535 N GLN A 396 -4.418 5.613 2.509 1.00 0.29 N ATOM 536 CA GLN A 396 -5.556 4.882 3.060 1.00 0.34 C ATOM 537 C GLN A 396 -6.114 3.894 2.044 1.00 0.35 C ATOM 538 O GLN A 396 -6.258 4.224 0.872 1.00 0.46 O ATOM 539 CB GLN A 396 -6.664 5.857 3.465 1.00 0.43 C ATOM 540 CG GLN A 396 -6.207 6.961 4.401 1.00 0.50 C ATOM 541 CD GLN A 396 -7.313 7.945 4.718 1.00 0.64 C ATOM 542 OE1 GLN A 396 -7.955 8.491 3.822 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.523 8.187 6.000 1.00 0.61 N ATOM 0 H GLN A 396 -4.669 6.466 2.009 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.207 4.333 3.935 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.083 6.308 2.565 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.467 5.298 3.945 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.841 6.519 5.328 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.370 7.493 3.949 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.965 7.709 6.707 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.243 8.852 6.282 1.00 0.61 H new ATOM 552 N VAL A 397 -6.457 2.691 2.492 1.00 0.33 N ATOM 553 CA VAL A 397 -7.034 1.699 1.593 1.00 0.33 C ATOM 554 C VAL A 397 -8.552 1.813 1.629 1.00 0.33 C ATOM 555 O VAL A 397 -9.198 1.378 2.581 1.00 0.37 O ATOM 556 CB VAL A 397 -6.604 0.264 1.954 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.000 -0.712 0.857 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.109 0.208 2.222 1.00 0.83 C ATOM 0 H VAL A 397 -6.348 2.382 3.458 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.664 1.901 0.588 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.124 -0.032 2.865 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.686 -1.718 1.134 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -8.082 -0.693 0.726 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.516 -0.426 -0.077 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.823 -0.813 2.475 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.567 0.526 1.331 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.863 0.870 3.052 1.00 0.83 H new ATOM 568 N LEU A 398 -9.104 2.440 0.599 1.00 0.36 N ATOM 569 CA LEU A 398 -10.540 2.667 0.513 1.00 0.40 C ATOM 570 C LEU A 398 -11.285 1.473 -0.077 1.00 0.41 C ATOM 571 O LEU A 398 -12.407 1.172 0.334 1.00 0.47 O ATOM 572 CB LEU A 398 -10.826 3.918 -0.319 1.00 0.46 C ATOM 573 CG LEU A 398 -10.396 5.242 0.321 1.00 0.49 C ATOM 574 CD1 LEU A 398 -8.890 5.306 0.473 1.00 1.16 C ATOM 575 CD2 LEU A 398 -10.905 6.419 -0.496 1.00 1.45 C ATOM 0 H LEU A 398 -8.575 2.803 -0.194 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.903 2.808 1.531 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.323 3.818 -1.281 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -11.896 3.962 -0.522 1.00 0.46 H new ATOM 0 HG LEU A 398 -10.837 5.298 1.316 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -8.610 6.255 0.930 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -8.553 4.486 1.107 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -8.421 5.223 -0.508 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.590 7.351 -0.027 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -10.497 6.365 -1.505 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -11.993 6.386 -0.543 1.00 1.45 H new ATOM 587 N GLN A 399 -10.675 0.809 -1.050 1.00 0.39 N ATOM 588 CA GLN A 399 -11.308 -0.332 -1.699 1.00 0.43 C ATOM 589 C GLN A 399 -10.300 -1.432 -1.990 1.00 0.38 C ATOM 590 O GLN A 399 -9.102 -1.271 -1.758 1.00 0.35 O ATOM 591 CB GLN A 399 -11.982 0.101 -3.003 1.00 0.49 C ATOM 592 CG GLN A 399 -13.000 1.215 -2.824 1.00 0.60 C ATOM 593 CD GLN A 399 -13.667 1.610 -4.127 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.317 0.792 -4.779 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.511 2.872 -4.513 1.00 2.04 N ATOM 0 H GLN A 399 -9.747 1.039 -1.406 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.060 -0.724 -1.014 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.216 0.430 -3.706 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.476 -0.762 -3.450 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.761 0.895 -2.113 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.507 2.087 -2.393 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -12.964 3.516 -3.942 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -13.938 3.197 -5.380 1.00 2.04 H new ATOM 604 N SER A 400 -10.800 -2.550 -2.500 1.00 0.42 N ATOM 605 CA SER A 400 -9.954 -3.688 -2.828 1.00 0.41 C ATOM 606 C SER A 400 -10.707 -4.680 -3.708 1.00 0.47 C ATOM 607 O SER A 400 -11.911 -4.880 -3.544 1.00 0.54 O ATOM 608 CB SER A 400 -9.472 -4.380 -1.554 1.00 0.47 C ATOM 609 OG SER A 400 -10.561 -4.914 -0.820 1.00 0.56 O ATOM 0 H SER A 400 -11.791 -2.692 -2.696 1.00 0.42 H new ATOM 0 HA SER A 400 -9.087 -3.321 -3.378 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.776 -5.179 -1.811 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.926 -3.669 -0.934 1.00 0.47 H new ATOM 0 HG SER A 400 -10.226 -5.353 -0.010 1.00 0.56 H new ATOM 615 N ARG A 401 -9.990 -5.299 -4.637 1.00 0.51 N ATOM 616 CA ARG A 401 -10.588 -6.271 -5.542 1.00 0.60 C ATOM 617 C ARG A 401 -9.929 -7.632 -5.354 1.00 0.73 C ATOM 618 O ARG A 401 -8.986 -7.764 -4.577 1.00 0.86 O ATOM 619 CB ARG A 401 -10.444 -5.810 -6.994 1.00 0.65 C ATOM 620 CG ARG A 401 -9.008 -5.790 -7.489 1.00 0.72 C ATOM 621 CD ARG A 401 -8.919 -5.320 -8.932 1.00 0.91 C ATOM 622 NE ARG A 401 -7.605 -5.586 -9.513 1.00 1.02 N ATOM 623 CZ ARG A 401 -7.249 -5.215 -10.740 1.00 1.25 C ATOM 624 NH1 ARG A 401 -8.096 -4.540 -11.506 1.00 1.55 N ATOM 625 NH2 ARG A 401 -6.043 -5.518 -11.201 1.00 1.43 N ATOM 0 H ARG A 401 -8.992 -5.145 -4.783 1.00 0.51 H new ATOM 0 HA ARG A 401 -11.650 -6.356 -5.311 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.031 -6.468 -7.635 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -10.867 -4.810 -7.092 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.413 -5.133 -6.855 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.580 -6.789 -7.404 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -9.685 -5.820 -9.524 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -9.127 -4.251 -8.979 1.00 0.91 H new ATOM 0 HE ARG A 401 -6.921 -6.085 -8.945 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -9.024 -4.304 -11.155 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -7.819 -4.257 -12.446 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -5.388 -6.036 -10.615 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -5.770 -5.233 -12.142 1.00 1.43 H new ATOM 639 N THR A 402 -10.437 -8.646 -6.049 1.00 0.82 N ATOM 640 CA THR A 402 -9.899 -9.992 -5.934 1.00 0.99 C ATOM 641 C THR A 402 -9.560 -10.590 -7.298 1.00 1.16 C ATOM 642 O THR A 402 -10.353 -10.523 -8.237 1.00 1.79 O ATOM 643 CB THR A 402 -10.893 -10.908 -5.215 1.00 1.14 C ATOM 644 OG1 THR A 402 -12.187 -10.800 -5.820 1.00 1.38 O ATOM 645 CG2 THR A 402 -10.983 -10.559 -3.739 1.00 1.29 C ATOM 0 H THR A 402 -11.220 -8.558 -6.697 1.00 0.82 H new ATOM 0 HA THR A 402 -8.979 -9.918 -5.354 1.00 0.99 H new ATOM 0 HB THR A 402 -10.537 -11.934 -5.305 1.00 1.14 H new ATOM 0 HG1 THR A 402 -12.869 -11.119 -5.193 1.00 1.38 H new ATOM 0 HG21 THR A 402 -11.696 -11.224 -3.251 1.00 1.29 H new ATOM 0 HG22 THR A 402 -10.003 -10.676 -3.277 1.00 1.29 H new ATOM 0 HG23 THR A 402 -11.316 -9.527 -3.629 1.00 1.29 H new ATOM 653 N THR A 403 -8.370 -11.180 -7.385 1.00 1.43 N ATOM 654 CA THR A 403 -7.890 -11.808 -8.614 1.00 1.62 C ATOM 655 C THR A 403 -8.787 -12.981 -8.996 1.00 1.84 C ATOM 656 O THR A 403 -9.847 -13.168 -8.403 1.00 1.85 O ATOM 657 CB THR A 403 -6.439 -12.305 -8.449 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.711 -11.412 -7.604 1.00 1.78 O ATOM 659 CG2 THR A 403 -5.734 -12.392 -9.795 1.00 1.95 C ATOM 0 H THR A 403 -7.712 -11.236 -6.607 1.00 1.43 H new ATOM 0 HA THR A 403 -7.917 -11.058 -9.405 1.00 1.62 H new ATOM 0 HB THR A 403 -6.475 -13.299 -8.002 1.00 1.77 H new ATOM 0 HG1 THR A 403 -4.791 -11.735 -7.502 1.00 1.78 H new ATOM 0 HG21 THR A 403 -4.713 -12.745 -9.649 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.269 -13.087 -10.442 1.00 1.95 H new ATOM 0 HG23 THR A 403 -5.714 -11.406 -10.260 1.00 1.95 H new ATOM 667 N GLU A 404 -8.366 -13.767 -9.988 1.00 2.08 N ATOM 668 CA GLU A 404 -9.140 -14.923 -10.434 1.00 2.34 C ATOM 669 C GLU A 404 -9.698 -15.689 -9.237 1.00 2.30 C ATOM 670 O GLU A 404 -10.814 -16.208 -9.288 1.00 2.37 O ATOM 671 CB GLU A 404 -8.270 -15.846 -11.288 1.00 2.72 C ATOM 672 CG GLU A 404 -7.715 -15.178 -12.536 1.00 2.91 C ATOM 673 CD GLU A 404 -6.874 -16.118 -13.375 1.00 3.42 C ATOM 674 OE1 GLU A 404 -7.411 -17.152 -13.827 1.00 3.79 O ATOM 675 OE2 GLU A 404 -5.678 -15.822 -13.582 1.00 3.87 O ATOM 0 H GLU A 404 -7.494 -13.623 -10.497 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.974 -14.566 -11.038 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.441 -16.212 -10.683 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.858 -16.715 -11.582 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -8.541 -14.799 -13.139 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -7.112 -14.318 -12.245 1.00 2.91 H new ATOM 682 N ASN A 405 -8.921 -15.738 -8.154 1.00 2.26 N ATOM 683 CA ASN A 405 -9.346 -16.419 -6.935 1.00 2.30 C ATOM 684 C ASN A 405 -10.698 -15.876 -6.488 1.00 2.07 C ATOM 685 O ASN A 405 -11.612 -16.635 -6.163 1.00 2.40 O ATOM 686 CB ASN A 405 -8.312 -16.211 -5.823 1.00 2.43 C ATOM 687 CG ASN A 405 -8.680 -16.930 -4.538 1.00 2.67 C ATOM 688 OD1 ASN A 405 -9.781 -16.767 -4.013 1.00 3.16 O ATOM 689 ND2 ASN A 405 -7.749 -17.716 -4.011 1.00 2.73 N ATOM 0 H ASN A 405 -7.995 -15.314 -8.098 1.00 2.26 H new ATOM 0 HA ASN A 405 -9.434 -17.486 -7.139 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -7.340 -16.564 -6.166 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -8.211 -15.145 -5.622 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -7.934 -18.212 -3.139 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -6.849 -17.824 -4.478 1.00 2.73 H new ATOM 696 N ALA A 406 -10.809 -14.550 -6.490 1.00 1.82 N ATOM 697 CA ALA A 406 -12.037 -13.873 -6.104 1.00 1.67 C ATOM 698 C ALA A 406 -12.402 -14.167 -4.655 1.00 1.85 C ATOM 699 O ALA A 406 -13.430 -14.786 -4.377 1.00 2.18 O ATOM 700 CB ALA A 406 -13.174 -14.260 -7.037 1.00 1.72 C ATOM 0 H ALA A 406 -10.053 -13.920 -6.758 1.00 1.82 H new ATOM 0 HA ALA A 406 -11.869 -12.799 -6.189 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -14.085 -13.744 -6.734 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -12.919 -13.976 -8.058 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -13.334 -15.337 -6.989 1.00 1.72 H new ATOM 706 N ALA A 407 -11.551 -13.723 -3.731 1.00 1.91 N ATOM 707 CA ALA A 407 -11.794 -13.951 -2.314 1.00 2.19 C ATOM 708 C ALA A 407 -10.888 -13.101 -1.423 1.00 2.37 C ATOM 709 O ALA A 407 -11.236 -12.827 -0.275 1.00 2.77 O ATOM 710 CB ALA A 407 -11.623 -15.425 -1.984 1.00 2.38 C ATOM 0 H ALA A 407 -10.695 -13.208 -3.939 1.00 1.91 H new ATOM 0 HA ALA A 407 -12.821 -13.648 -2.110 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -11.807 -15.584 -0.921 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -12.332 -16.013 -2.567 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -10.607 -15.737 -2.227 1.00 2.38 H new ATOM 716 N ALA A 408 -9.721 -12.695 -1.933 1.00 2.15 N ATOM 717 CA ALA A 408 -8.799 -11.896 -1.124 1.00 2.35 C ATOM 718 C ALA A 408 -7.682 -11.213 -1.934 1.00 2.05 C ATOM 719 O ALA A 408 -7.405 -10.035 -1.717 1.00 1.99 O ATOM 720 CB ALA A 408 -8.189 -12.768 -0.037 1.00 2.76 C ATOM 0 H ALA A 408 -9.399 -12.900 -2.879 1.00 2.15 H new ATOM 0 HA ALA A 408 -9.391 -11.091 -0.690 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -7.503 -12.172 0.565 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -8.981 -13.163 0.600 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -7.646 -13.594 -0.496 1.00 2.76 H new ATOM 726 N PRO A 409 -6.994 -11.940 -2.842 1.00 1.99 N ATOM 727 CA PRO A 409 -5.874 -11.380 -3.631 1.00 1.80 C ATOM 728 C PRO A 409 -6.217 -10.119 -4.432 1.00 1.41 C ATOM 729 O PRO A 409 -7.142 -9.383 -4.100 1.00 1.86 O ATOM 730 CB PRO A 409 -5.520 -12.522 -4.588 1.00 2.10 C ATOM 731 CG PRO A 409 -5.967 -13.755 -3.888 1.00 2.49 C ATOM 732 CD PRO A 409 -7.210 -13.369 -3.142 1.00 2.27 C ATOM 0 HA PRO A 409 -5.069 -11.056 -2.971 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -6.025 -12.406 -5.547 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.450 -12.549 -4.793 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -6.169 -14.557 -4.598 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -5.198 -14.119 -3.206 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -8.105 -13.523 -3.744 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -7.333 -13.957 -2.233 1.00 2.27 H new ATOM 740 N ASP A 410 -5.434 -9.899 -5.495 1.00 0.92 N ATOM 741 CA ASP A 410 -5.587 -8.753 -6.400 1.00 0.79 C ATOM 742 C ASP A 410 -4.965 -7.468 -5.850 1.00 0.68 C ATOM 743 O ASP A 410 -4.083 -7.509 -4.993 1.00 0.93 O ATOM 744 CB ASP A 410 -7.055 -8.540 -6.776 1.00 1.18 C ATOM 745 CG ASP A 410 -7.274 -8.593 -8.277 1.00 1.62 C ATOM 746 OD1 ASP A 410 -6.287 -8.787 -9.017 1.00 1.99 O ATOM 747 OD2 ASP A 410 -8.434 -8.437 -8.715 1.00 2.14 O ATOM 0 H ASP A 410 -4.667 -10.519 -5.754 1.00 0.92 H new ATOM 0 HA ASP A 410 -5.031 -8.999 -7.305 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -7.666 -9.303 -6.294 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -7.390 -7.575 -6.395 1.00 1.18 H new ATOM 752 N GLU A 411 -5.404 -6.326 -6.388 1.00 0.54 N ATOM 753 CA GLU A 411 -4.866 -5.027 -5.995 1.00 0.45 C ATOM 754 C GLU A 411 -5.851 -4.252 -5.130 1.00 0.40 C ATOM 755 O GLU A 411 -7.066 -4.417 -5.247 1.00 0.42 O ATOM 756 CB GLU A 411 -4.510 -4.220 -7.244 1.00 0.49 C ATOM 757 CG GLU A 411 -3.472 -4.900 -8.123 1.00 0.58 C ATOM 758 CD GLU A 411 -3.167 -4.122 -9.389 1.00 1.47 C ATOM 759 OE1 GLU A 411 -3.784 -3.056 -9.594 1.00 2.10 O ATOM 760 OE2 GLU A 411 -2.308 -4.574 -10.175 1.00 2.08 O ATOM 0 H GLU A 411 -6.133 -6.279 -7.099 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.968 -5.196 -5.401 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -5.414 -4.049 -7.828 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.136 -3.242 -6.942 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -2.552 -5.032 -7.554 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -3.827 -5.895 -8.391 1.00 0.58 H new ATOM 767 N TYR A 412 -5.308 -3.435 -4.228 1.00 0.38 N ATOM 768 CA TYR A 412 -6.123 -2.660 -3.298 1.00 0.35 C ATOM 769 C TYR A 412 -6.054 -1.157 -3.583 1.00 0.33 C ATOM 770 O TYR A 412 -4.976 -0.600 -3.798 1.00 0.34 O ATOM 771 CB TYR A 412 -5.671 -2.941 -1.858 1.00 0.39 C ATOM 772 CG TYR A 412 -5.800 -4.396 -1.433 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.421 -5.421 -2.290 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.304 -4.744 -0.182 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.539 -6.746 -1.914 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.423 -6.064 0.205 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.033 -7.056 -0.642 1.00 0.62 C ATOM 778 OH TYR A 412 -6.158 -8.382 -0.293 1.00 0.72 O ATOM 0 H TYR A 412 -4.303 -3.294 -4.123 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.160 -2.969 -3.430 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.631 -2.634 -1.750 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.258 -2.323 -1.178 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -5.028 -5.179 -3.266 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.608 -3.964 0.500 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -5.253 -7.534 -2.595 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.824 -6.309 1.177 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.459 -8.898 -1.070 1.00 0.72 H new ATOM 788 N TYR A 413 -7.219 -0.511 -3.568 1.00 0.33 N ATOM 789 CA TYR A 413 -7.327 0.929 -3.806 1.00 0.32 C ATOM 790 C TYR A 413 -6.672 1.708 -2.667 1.00 0.32 C ATOM 791 O TYR A 413 -6.714 1.273 -1.517 1.00 0.40 O ATOM 792 CB TYR A 413 -8.802 1.318 -3.919 1.00 0.36 C ATOM 793 CG TYR A 413 -9.038 2.760 -4.321 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.312 3.346 -5.350 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.991 3.531 -3.670 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.528 4.660 -5.719 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.214 4.846 -4.033 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.480 5.406 -5.057 1.00 0.46 C ATOM 799 OH TYR A 413 -9.699 6.714 -5.420 1.00 0.51 O ATOM 0 H TYR A 413 -8.113 -0.969 -3.391 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.813 1.174 -4.735 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.283 0.666 -4.649 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.288 1.136 -2.960 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.566 2.764 -5.871 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.568 3.096 -2.867 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.954 5.100 -6.521 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.960 5.432 -3.517 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.403 7.097 -4.856 1.00 0.51 H new ATOM 809 N VAL A 414 -6.053 2.854 -2.979 1.00 0.33 N ATOM 810 CA VAL A 414 -5.387 3.649 -1.941 1.00 0.33 C ATOM 811 C VAL A 414 -5.415 5.153 -2.225 1.00 0.29 C ATOM 812 O VAL A 414 -5.016 5.601 -3.300 1.00 0.38 O ATOM 813 CB VAL A 414 -3.907 3.238 -1.784 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.307 3.870 -0.537 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.753 1.728 -1.755 1.00 1.15 C ATOM 0 H VAL A 414 -6.000 3.244 -3.920 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.948 3.448 -1.028 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.362 3.607 -2.653 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.264 3.569 -0.443 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.366 4.956 -0.615 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.861 3.539 0.341 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.699 1.472 -1.644 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -4.316 1.321 -0.915 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -4.133 1.306 -2.685 1.00 1.15 H new ATOM 825 N HIS A 415 -5.845 5.927 -1.225 1.00 0.33 N ATOM 826 CA HIS A 415 -5.875 7.385 -1.326 1.00 0.32 C ATOM 827 C HIS A 415 -4.736 7.977 -0.502 1.00 0.32 C ATOM 828 O HIS A 415 -4.808 8.018 0.727 1.00 0.34 O ATOM 829 CB HIS A 415 -7.217 7.933 -0.828 1.00 0.37 C ATOM 830 CG HIS A 415 -7.271 9.430 -0.745 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.026 10.259 -1.819 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.553 10.247 0.299 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.154 11.519 -1.441 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.473 11.538 -0.161 1.00 0.62 N ATOM 0 H HIS A 415 -6.179 5.564 -0.332 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.754 7.667 -2.372 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -8.008 7.587 -1.493 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.425 7.517 0.158 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.783 9.948 -2.760 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.796 9.940 1.306 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.020 12.385 -2.072 1.00 0.60 H new ATOM 843 N TYR A 416 -3.682 8.424 -1.175 1.00 0.37 N ATOM 844 CA TYR A 416 -2.528 8.996 -0.487 1.00 0.40 C ATOM 845 C TYR A 416 -2.894 10.303 0.209 1.00 0.45 C ATOM 846 O TYR A 416 -3.474 11.203 -0.399 1.00 0.57 O ATOM 847 CB TYR A 416 -1.373 9.216 -1.468 1.00 0.46 C ATOM 848 CG TYR A 416 -0.825 7.932 -2.058 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.620 7.115 -2.852 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.489 7.541 -1.826 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.123 5.946 -3.397 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.993 6.373 -2.368 1.00 0.54 C ATOM 853 CZ TYR A 416 0.183 5.569 -3.127 1.00 0.57 C ATOM 854 OH TYR A 416 0.681 4.416 -3.691 1.00 0.65 O ATOM 0 H TYR A 416 -3.601 8.402 -2.192 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.207 8.287 0.276 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.713 9.862 -2.278 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.568 9.743 -0.956 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.644 7.398 -3.047 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.127 8.160 -1.212 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.747 5.331 -4.028 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.022 6.095 -2.194 1.00 0.54 H new ATOM 0 HH TYR A 416 1.651 4.378 -3.555 1.00 0.65 H new ATOM 864 N VAL A 417 -2.552 10.393 1.492 1.00 0.45 N ATOM 865 CA VAL A 417 -2.845 11.582 2.286 1.00 0.55 C ATOM 866 C VAL A 417 -1.940 12.748 1.914 1.00 0.66 C ATOM 867 O VAL A 417 -0.718 12.614 1.889 1.00 1.34 O ATOM 868 CB VAL A 417 -2.697 11.302 3.794 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.019 12.546 4.607 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.587 10.144 4.206 1.00 1.01 C ATOM 0 H VAL A 417 -2.070 9.654 2.004 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.878 11.849 2.065 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.661 11.028 3.994 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.908 12.326 5.669 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.336 13.349 4.330 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.044 12.857 4.406 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.471 9.958 5.274 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.627 10.390 3.991 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.303 9.251 3.650 1.00 1.01 H new ATOM 880 N GLY A 418 -2.555 13.894 1.647 1.00 0.71 N ATOM 881 CA GLY A 418 -1.803 15.088 1.294 1.00 0.82 C ATOM 882 C GLY A 418 -1.259 15.060 -0.124 1.00 0.72 C ATOM 883 O GLY A 418 -1.387 16.038 -0.860 1.00 0.76 O ATOM 0 H GLY A 418 -3.567 14.020 1.668 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.445 15.961 1.412 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.974 15.206 1.991 1.00 0.82 H new ATOM 887 N LEU A 419 -0.643 13.945 -0.507 1.00 0.66 N ATOM 888 CA LEU A 419 -0.073 13.802 -1.840 1.00 0.60 C ATOM 889 C LEU A 419 -1.135 13.960 -2.926 1.00 0.59 C ATOM 890 O LEU A 419 -2.333 13.861 -2.660 1.00 0.76 O ATOM 891 CB LEU A 419 0.630 12.449 -1.987 1.00 0.58 C ATOM 892 CG LEU A 419 1.956 12.311 -1.228 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.729 12.306 0.276 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.688 11.050 -1.662 1.00 1.40 C ATOM 0 H LEU A 419 -0.527 13.126 0.090 1.00 0.66 H new ATOM 0 HA LEU A 419 0.660 14.598 -1.966 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.048 11.667 -1.645 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.816 12.268 -3.046 1.00 0.58 H new ATOM 0 HG LEU A 419 2.575 13.174 -1.471 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.686 12.207 0.788 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.252 13.239 0.575 1.00 1.60 H new ATOM 0 HD13 LEU A 419 1.086 11.468 0.544 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.627 10.967 -1.114 1.00 1.40 H new ATOM 0 HD22 LEU A 419 2.067 10.179 -1.452 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.895 11.099 -2.731 1.00 1.40 H new ATOM 906 N ASN A 420 -0.675 14.218 -4.148 1.00 0.61 N ATOM 907 CA ASN A 420 -1.560 14.408 -5.294 1.00 0.63 C ATOM 908 C ASN A 420 -2.584 13.282 -5.413 1.00 0.56 C ATOM 909 O ASN A 420 -2.269 12.112 -5.200 1.00 0.56 O ATOM 910 CB ASN A 420 -0.736 14.495 -6.580 1.00 0.75 C ATOM 911 CG ASN A 420 0.228 15.666 -6.571 1.00 1.57 C ATOM 912 OD1 ASN A 420 -0.180 16.822 -6.450 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.516 15.372 -6.698 1.00 1.98 N ATOM 0 H ASN A 420 0.317 14.301 -4.371 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.105 15.340 -5.140 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.177 13.569 -6.713 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.408 14.588 -7.433 1.00 0.75 H new ATOM 0 HD21 ASN A 420 2.212 16.118 -6.698 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.810 14.400 -6.796 1.00 1.98 H new ATOM 920 N ARG A 421 -3.815 13.656 -5.757 1.00 0.62 N ATOM 921 CA ARG A 421 -4.902 12.695 -5.914 1.00 0.67 C ATOM 922 C ARG A 421 -4.617 11.721 -7.053 1.00 0.66 C ATOM 923 O ARG A 421 -5.049 10.569 -7.018 1.00 0.69 O ATOM 924 CB ARG A 421 -6.219 13.428 -6.176 1.00 0.87 C ATOM 925 CG ARG A 421 -6.615 14.385 -5.064 1.00 1.09 C ATOM 926 CD ARG A 421 -7.912 15.108 -5.389 1.00 1.51 C ATOM 927 NE ARG A 421 -7.809 15.890 -6.619 1.00 2.25 N ATOM 928 CZ ARG A 421 -8.803 16.619 -7.117 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.974 16.667 -6.496 1.00 3.28 N ATOM 930 NH2 ARG A 421 -8.626 17.303 -8.239 1.00 3.98 N ATOM 0 H ARG A 421 -4.084 14.624 -5.933 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.983 12.125 -4.989 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.136 13.984 -7.110 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -7.013 12.694 -6.312 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.728 13.833 -4.131 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.820 15.114 -4.909 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.718 14.381 -5.488 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.177 15.766 -4.562 1.00 1.51 H new ATOM 0 HE ARG A 421 -6.923 15.876 -7.125 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -10.115 16.143 -5.632 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.733 17.228 -6.882 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -7.727 17.270 -8.720 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -9.389 17.862 -8.621 1.00 3.98 H new ATOM 944 N ARG A 422 -3.899 12.194 -8.067 1.00 0.71 N ATOM 945 CA ARG A 422 -3.561 11.367 -9.225 1.00 0.83 C ATOM 946 C ARG A 422 -2.906 10.056 -8.795 1.00 0.72 C ATOM 947 O ARG A 422 -3.105 9.017 -9.425 1.00 0.77 O ATOM 948 CB ARG A 422 -2.627 12.126 -10.171 1.00 1.01 C ATOM 949 CG ARG A 422 -1.314 12.542 -9.529 1.00 1.19 C ATOM 950 CD ARG A 422 -0.387 13.209 -10.533 1.00 1.49 C ATOM 951 NE ARG A 422 -0.990 14.396 -11.135 1.00 2.09 N ATOM 952 CZ ARG A 422 -0.379 15.153 -12.042 1.00 2.79 C ATOM 953 NH1 ARG A 422 0.846 14.850 -12.450 1.00 3.07 N ATOM 954 NH2 ARG A 422 -0.994 16.216 -12.544 1.00 3.71 N ATOM 0 H ARG A 422 -3.539 13.147 -8.112 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.489 11.134 -9.748 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.415 11.500 -11.038 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.140 13.015 -10.538 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.512 13.227 -8.705 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.822 11.667 -9.105 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.543 13.487 -10.037 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.130 12.497 -11.317 1.00 1.49 H new ATOM 0 HE ARG A 422 -1.932 14.659 -10.844 1.00 2.09 H new ATOM 0 HH11 ARG A 422 1.323 14.034 -12.068 1.00 3.07 H new ATOM 0 HH12 ARG A 422 1.311 15.433 -13.146 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -1.936 16.453 -12.234 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -0.524 16.796 -13.239 1.00 3.71 H new ATOM 968 N LEU A 423 -2.118 10.116 -7.726 1.00 0.65 N ATOM 969 CA LEU A 423 -1.422 8.939 -7.215 1.00 0.62 C ATOM 970 C LEU A 423 -2.398 7.807 -6.905 1.00 0.52 C ATOM 971 O LEU A 423 -2.055 6.632 -7.033 1.00 0.53 O ATOM 972 CB LEU A 423 -0.620 9.296 -5.961 1.00 0.69 C ATOM 973 CG LEU A 423 0.356 10.466 -6.120 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.165 10.659 -4.848 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.279 10.246 -7.310 1.00 1.49 C ATOM 0 H LEU A 423 -1.945 10.970 -7.195 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.738 8.595 -7.991 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -1.318 9.533 -5.158 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.059 8.416 -5.646 1.00 0.69 H new ATOM 0 HG LEU A 423 -0.224 11.370 -6.304 1.00 0.89 H new ATOM 0 HD11 LEU A 423 1.853 11.494 -4.978 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.492 10.870 -4.017 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.731 9.752 -4.636 1.00 1.31 H new ATOM 0 HD21 LEU A 423 1.962 11.090 -7.402 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.851 9.330 -7.162 1.00 1.49 H new ATOM 0 HD23 LEU A 423 0.685 10.160 -8.220 1.00 1.49 H new ATOM 987 N ASP A 424 -3.612 8.168 -6.492 1.00 0.49 N ATOM 988 CA ASP A 424 -4.637 7.181 -6.160 1.00 0.50 C ATOM 989 C ASP A 424 -4.752 6.116 -7.243 1.00 0.45 C ATOM 990 O ASP A 424 -4.796 6.427 -8.434 1.00 0.49 O ATOM 991 CB ASP A 424 -5.993 7.861 -5.971 1.00 0.66 C ATOM 992 CG ASP A 424 -6.052 8.712 -4.721 1.00 0.81 C ATOM 993 OD1 ASP A 424 -5.196 9.609 -4.566 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.961 8.484 -3.897 1.00 1.20 O ATOM 0 H ASP A 424 -3.909 9.137 -6.379 1.00 0.49 H new ATOM 0 HA ASP A 424 -4.339 6.700 -5.229 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.206 8.484 -6.840 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.773 7.101 -5.925 1.00 0.66 H new ATOM 999 N GLY A 425 -4.809 4.858 -6.819 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.925 3.763 -7.762 1.00 0.50 C ATOM 1001 C GLY A 425 -4.978 2.417 -7.073 1.00 0.45 C ATOM 1002 O GLY A 425 -5.578 2.283 -6.005 1.00 0.70 O ATOM 0 H GLY A 425 -4.777 4.578 -5.839 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.825 3.897 -8.363 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.078 3.785 -8.447 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.348 1.419 -7.678 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.326 0.078 -7.109 1.00 0.44 C ATOM 1008 C TRP A 426 -2.892 -0.388 -6.892 1.00 0.45 C ATOM 1009 O TRP A 426 -2.017 -0.152 -7.725 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.080 -0.897 -8.015 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.486 -0.468 -8.308 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -6.880 0.547 -9.134 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.686 -1.025 -7.758 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.250 0.644 -9.142 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.767 -0.307 -8.303 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.951 -2.063 -6.861 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.091 -0.596 -7.981 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.266 -2.347 -6.540 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.321 -1.616 -7.099 1.00 0.59 C ATOM 0 H TRP A 426 -3.846 1.512 -8.561 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.825 0.104 -6.140 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.537 -1.004 -8.954 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.098 -1.880 -7.544 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.212 1.180 -9.698 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.794 1.315 -9.684 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.144 -2.633 -6.426 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.907 -0.035 -8.412 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.483 -3.146 -5.846 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.337 -1.862 -6.828 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.655 -1.035 -5.756 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.323 -1.516 -5.409 1.00 0.46 C ATOM 1032 C VAL A 427 -1.238 -3.039 -5.479 1.00 0.51 C ATOM 1033 O VAL A 427 -2.252 -3.728 -5.401 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.927 -1.062 -3.997 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -1.117 0.439 -3.840 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.721 -1.823 -2.947 1.00 0.85 C ATOM 0 H VAL A 427 -3.370 -1.239 -5.058 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.635 -1.089 -6.139 1.00 0.46 H new ATOM 0 HB VAL A 427 0.130 -1.285 -3.850 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.830 0.739 -2.832 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.494 0.962 -4.565 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -2.163 0.693 -4.010 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.426 -1.487 -1.953 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.786 -1.638 -3.091 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.522 -2.890 -3.043 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.020 -3.557 -5.626 1.00 0.52 N ATOM 1047 CA GLY A 428 0.169 -4.998 -5.704 1.00 0.65 C ATOM 1048 C GLY A 428 0.037 -5.698 -4.360 1.00 0.79 C ATOM 1049 O GLY A 428 0.620 -6.762 -4.158 1.00 1.72 O ATOM 0 H GLY A 428 0.837 -3.008 -5.692 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -0.562 -5.416 -6.396 1.00 0.65 H new ATOM 0 HA3 GLY A 428 1.156 -5.206 -6.118 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.741 -5.101 -3.451 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.972 -5.657 -2.110 1.00 0.54 C ATOM 1055 C ARG A 429 0.271 -5.559 -1.223 1.00 0.49 C ATOM 1056 O ARG A 429 0.182 -5.130 -0.073 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.436 -7.117 -2.204 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.469 -7.845 -0.865 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.472 -7.223 0.094 1.00 0.85 C ATOM 1060 NE ARG A 429 -2.435 -7.858 1.411 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.410 -7.750 2.257 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -0.372 -6.985 1.953 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.431 -8.396 3.414 1.00 1.65 N ATOM 0 H ARG A 429 -1.228 -4.221 -3.622 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.757 -5.059 -1.647 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.433 -7.143 -2.645 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.774 -7.655 -2.882 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.723 -8.892 -1.027 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.476 -7.824 -0.416 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -2.262 -6.159 0.198 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.475 -7.311 -0.323 1.00 0.85 H new ATOM 0 HE ARG A 429 -3.239 -8.415 1.699 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -0.355 -6.476 1.069 1.00 1.73 H new ATOM 0 HH12 ARG A 429 0.410 -6.905 2.603 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -2.232 -8.977 3.659 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.646 -8.312 4.059 1.00 1.65 H new ATOM 1077 N HIS A 430 1.426 -5.947 -1.754 1.00 0.49 N ATOM 1078 CA HIS A 430 2.672 -5.893 -0.996 1.00 0.53 C ATOM 1079 C HIS A 430 3.107 -4.450 -0.772 1.00 0.47 C ATOM 1080 O HIS A 430 4.062 -4.182 -0.042 1.00 0.49 O ATOM 1081 CB HIS A 430 3.769 -6.678 -1.718 1.00 0.65 C ATOM 1082 CG HIS A 430 3.984 -6.251 -3.137 1.00 0.77 C ATOM 1083 ND1 HIS A 430 4.423 -4.992 -3.489 1.00 1.20 N ATOM 1084 CD2 HIS A 430 3.817 -6.926 -4.298 1.00 1.47 C ATOM 1085 CE1 HIS A 430 4.517 -4.913 -4.804 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.155 -6.073 -5.318 1.00 1.46 N ATOM 0 H HIS A 430 1.526 -6.302 -2.705 1.00 0.49 H new ATOM 0 HA HIS A 430 2.500 -6.351 -0.022 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.704 -6.566 -1.169 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.515 -7.738 -1.702 1.00 0.65 H new ATOM 0 HD2 HIS A 430 3.480 -7.947 -4.402 1.00 1.47 H new ATOM 0 HE1 HIS A 430 4.836 -4.046 -5.364 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.130 -6.299 -6.312 1.00 1.46 H new ATOM 1095 N ARG A 431 2.395 -3.526 -1.405 1.00 0.43 N ATOM 1096 CA ARG A 431 2.691 -2.105 -1.284 1.00 0.41 C ATOM 1097 C ARG A 431 2.139 -1.545 0.026 1.00 0.37 C ATOM 1098 O ARG A 431 2.761 -0.690 0.656 1.00 0.57 O ATOM 1099 CB ARG A 431 2.086 -1.348 -2.462 1.00 0.44 C ATOM 1100 CG ARG A 431 2.572 -1.833 -3.821 1.00 0.53 C ATOM 1101 CD ARG A 431 4.027 -1.471 -4.049 1.00 0.64 C ATOM 1102 NE ARG A 431 4.515 -1.938 -5.343 1.00 1.39 N ATOM 1103 CZ ARG A 431 5.756 -1.743 -5.779 1.00 2.05 C ATOM 1104 NH1 ARG A 431 6.631 -1.087 -5.029 1.00 2.55 N ATOM 1105 NH2 ARG A 431 6.123 -2.204 -6.967 1.00 2.84 N ATOM 0 H ARG A 431 1.603 -3.738 -2.012 1.00 0.43 H new ATOM 0 HA ARG A 431 3.774 -1.978 -1.286 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.001 -1.439 -2.421 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.321 -0.289 -2.360 1.00 0.44 H new ATOM 0 HG2 ARG A 431 2.449 -2.914 -3.889 1.00 0.53 H new ATOM 0 HG3 ARG A 431 1.958 -1.393 -4.607 1.00 0.53 H new ATOM 0 HD2 ARG A 431 4.144 -0.389 -3.987 1.00 0.64 H new ATOM 0 HD3 ARG A 431 4.636 -1.904 -3.255 1.00 0.64 H new ATOM 0 HE ARG A 431 3.867 -2.443 -5.947 1.00 1.39 H new ATOM 0 HH11 ARG A 431 6.353 -0.730 -4.115 1.00 2.55 H new ATOM 0 HH12 ARG A 431 7.582 -0.939 -5.366 1.00 2.55 H new ATOM 0 HH21 ARG A 431 5.453 -2.709 -7.547 1.00 2.84 H new ATOM 0 HH22 ARG A 431 7.075 -2.054 -7.300 1.00 2.84 H new ATOM 1119 N ILE A 432 0.966 -2.030 0.425 1.00 0.39 N ATOM 1120 CA ILE A 432 0.327 -1.572 1.655 1.00 0.36 C ATOM 1121 C ILE A 432 0.802 -2.393 2.850 1.00 0.38 C ATOM 1122 O ILE A 432 0.894 -3.619 2.774 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.211 -1.667 1.559 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.714 -0.927 0.319 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.854 -1.102 2.817 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.163 -1.215 -0.014 1.00 0.46 C ATOM 0 H ILE A 432 0.439 -2.739 -0.085 1.00 0.39 H new ATOM 0 HA ILE A 432 0.609 -0.528 1.794 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.491 -2.717 1.470 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.591 0.145 0.472 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -1.093 -1.201 -0.534 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.938 -1.175 2.736 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.516 -1.669 3.684 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.569 -0.056 2.933 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.450 -0.656 -0.905 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.289 -2.282 -0.199 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.795 -0.915 0.822 1.00 0.46 H new ATOM 1138 N SER A 433 1.106 -1.709 3.951 1.00 0.34 N ATOM 1139 CA SER A 433 1.575 -2.376 5.162 1.00 0.38 C ATOM 1140 C SER A 433 1.332 -1.509 6.393 1.00 0.36 C ATOM 1141 O SER A 433 1.521 -0.293 6.359 1.00 0.34 O ATOM 1142 CB SER A 433 3.067 -2.702 5.045 1.00 0.41 C ATOM 1143 OG SER A 433 3.319 -3.559 3.946 1.00 0.53 O ATOM 0 H SER A 433 1.036 -0.694 4.029 1.00 0.34 H new ATOM 0 HA SER A 433 1.012 -3.303 5.275 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.635 -1.779 4.928 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.412 -3.175 5.965 1.00 0.41 H new ATOM 0 HG SER A 433 2.476 -3.950 3.636 1.00 0.53 H new ATOM 1149 N ASP A 434 0.909 -2.148 7.480 1.00 0.43 N ATOM 1150 CA ASP A 434 0.633 -1.446 8.730 1.00 0.48 C ATOM 1151 C ASP A 434 1.915 -1.135 9.505 1.00 0.48 C ATOM 1152 O ASP A 434 1.864 -0.813 10.692 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.328 -2.266 9.594 1.00 0.60 C ATOM 1154 CG ASP A 434 0.030 -3.740 9.628 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.163 -4.065 10.040 1.00 1.35 O ATOM 1156 OD2 ASP A 434 -0.819 -4.568 9.244 1.00 1.12 O ATOM 0 H ASP A 434 0.749 -3.155 7.520 1.00 0.43 H new ATOM 0 HA ASP A 434 0.166 -0.494 8.478 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.324 -1.871 10.610 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.342 -2.151 9.212 1.00 0.60 H new ATOM 1161 N ASN A 435 3.058 -1.219 8.828 1.00 0.43 N ATOM 1162 CA ASN A 435 4.347 -0.934 9.459 1.00 0.47 C ATOM 1163 C ASN A 435 5.310 -0.283 8.471 1.00 0.39 C ATOM 1164 O ASN A 435 5.462 -0.742 7.339 1.00 0.38 O ATOM 1165 CB ASN A 435 4.976 -2.211 10.023 1.00 0.59 C ATOM 1166 CG ASN A 435 4.275 -2.710 11.273 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.095 -3.048 11.248 1.00 2.16 O ATOM 1168 ND2 ASN A 435 5.008 -2.756 12.380 1.00 1.81 N ATOM 0 H ASN A 435 3.119 -1.482 7.844 1.00 0.43 H new ATOM 0 HA ASN A 435 4.161 -0.240 10.278 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.949 -2.990 9.262 1.00 0.59 H new ATOM 0 HB3 ASN A 435 6.025 -2.024 10.251 1.00 0.59 H new ATOM 0 HD21 ASN A 435 4.593 -3.082 13.253 1.00 1.81 H new ATOM 0 HD22 ASN A 435 5.986 -2.466 12.357 1.00 1.81 H new ATOM 1175 N ALA A 436 5.955 0.794 8.912 1.00 0.49 N ATOM 1176 CA ALA A 436 6.905 1.520 8.075 1.00 0.55 C ATOM 1177 C ALA A 436 8.181 0.714 7.852 1.00 0.55 C ATOM 1178 O ALA A 436 8.700 0.652 6.737 1.00 0.54 O ATOM 1179 CB ALA A 436 7.235 2.867 8.700 1.00 0.75 C ATOM 0 H ALA A 436 5.836 1.184 9.847 1.00 0.49 H new ATOM 0 HA ALA A 436 6.439 1.683 7.103 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.945 3.398 8.066 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.323 3.456 8.797 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.674 2.713 9.686 1.00 0.75 H new ATOM 1185 N ASP A 437 8.686 0.104 8.922 1.00 0.65 N ATOM 1186 CA ASP A 437 9.906 -0.694 8.847 1.00 0.75 C ATOM 1187 C ASP A 437 9.790 -1.780 7.783 1.00 0.71 C ATOM 1188 O ASP A 437 10.742 -2.047 7.050 1.00 0.78 O ATOM 1189 CB ASP A 437 10.211 -1.326 10.207 1.00 0.92 C ATOM 1190 CG ASP A 437 10.428 -0.290 11.295 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.350 0.917 10.988 1.00 1.34 O ATOM 1192 OD2 ASP A 437 10.675 -0.686 12.454 1.00 1.34 O ATOM 0 H ASP A 437 8.268 0.148 9.852 1.00 0.65 H new ATOM 0 HA ASP A 437 10.724 -0.030 8.569 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.388 -1.981 10.492 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.100 -1.951 10.122 1.00 0.92 H new ATOM 1197 N ASP A 438 8.618 -2.403 7.705 1.00 0.68 N ATOM 1198 CA ASP A 438 8.373 -3.462 6.730 1.00 0.73 C ATOM 1199 C ASP A 438 8.083 -2.882 5.347 1.00 0.73 C ATOM 1200 O ASP A 438 7.137 -3.298 4.679 1.00 1.35 O ATOM 1201 CB ASP A 438 7.203 -4.337 7.186 1.00 0.88 C ATOM 1202 CG ASP A 438 7.460 -5.004 8.523 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.554 -4.793 9.090 1.00 1.56 O ATOM 1204 OD2 ASP A 438 6.570 -5.735 9.006 1.00 1.36 O ATOM 0 H ASP A 438 7.821 -2.193 8.306 1.00 0.68 H new ATOM 0 HA ASP A 438 9.273 -4.072 6.661 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.303 -3.726 7.256 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.011 -5.102 6.433 1.00 0.88 H new ATOM 1209 N LEU A 439 8.900 -1.919 4.923 1.00 0.54 N ATOM 1210 CA LEU A 439 8.727 -1.280 3.622 1.00 0.53 C ATOM 1211 C LEU A 439 10.065 -0.790 3.066 1.00 0.61 C ATOM 1212 O LEU A 439 10.702 -1.478 2.267 1.00 0.86 O ATOM 1213 CB LEU A 439 7.747 -0.105 3.728 1.00 0.52 C ATOM 1214 CG LEU A 439 6.300 -0.481 4.051 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.472 0.768 4.298 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.693 -1.300 2.922 1.00 1.10 C ATOM 0 H LEU A 439 9.689 -1.565 5.463 1.00 0.54 H new ATOM 0 HA LEU A 439 8.320 -2.024 2.937 1.00 0.53 H new ATOM 0 HB2 LEU A 439 8.107 0.577 4.498 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.760 0.442 2.785 1.00 0.52 H new ATOM 0 HG LEU A 439 6.298 -1.088 4.957 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.445 0.484 4.527 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.891 1.322 5.138 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.485 1.395 3.407 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.664 -1.557 3.172 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.708 -0.717 2.001 1.00 1.10 H new ATOM 0 HD23 LEU A 439 6.272 -2.213 2.783 1.00 1.10 H new ATOM 1228 N GLY A 440 10.481 0.403 3.486 1.00 0.59 N ATOM 1229 CA GLY A 440 11.733 0.965 3.014 1.00 0.77 C ATOM 1230 C GLY A 440 12.077 2.269 3.704 1.00 0.96 C ATOM 1231 O GLY A 440 12.348 3.274 3.047 1.00 1.36 O ATOM 0 H GLY A 440 9.971 0.990 4.146 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.536 0.247 3.180 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.671 1.131 1.939 1.00 0.77 H new ATOM 1235 N GLY A 441 12.064 2.252 5.034 1.00 0.93 N ATOM 1236 CA GLY A 441 12.373 3.447 5.796 1.00 1.24 C ATOM 1237 C GLY A 441 11.266 4.475 5.730 1.00 1.14 C ATOM 1238 O GLY A 441 10.085 4.132 5.777 1.00 1.83 O ATOM 0 H GLY A 441 11.845 1.430 5.597 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.551 3.175 6.836 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.296 3.887 5.419 1.00 1.24 H new ATOM 1242 N ILE A 442 11.656 5.737 5.610 1.00 1.10 N ATOM 1243 CA ILE A 442 10.707 6.837 5.523 1.00 1.03 C ATOM 1244 C ILE A 442 11.282 7.951 4.665 1.00 1.05 C ATOM 1245 O ILE A 442 12.340 8.489 4.983 1.00 1.39 O ATOM 1246 CB ILE A 442 10.361 7.404 6.919 1.00 1.26 C ATOM 1247 CG1 ILE A 442 9.606 6.366 7.757 1.00 1.41 C ATOM 1248 CG2 ILE A 442 9.546 8.684 6.794 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.248 5.995 7.195 1.00 1.48 C ATOM 0 H ILE A 442 12.634 6.025 5.570 1.00 1.10 H new ATOM 0 HA ILE A 442 9.794 6.447 5.073 1.00 1.03 H new ATOM 0 HB ILE A 442 11.295 7.640 7.428 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.214 5.465 7.836 1.00 1.41 H new ATOM 0 HG13 ILE A 442 9.477 6.753 8.768 1.00 1.41 H new ATOM 0 HG21 ILE A 442 9.314 9.066 7.788 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.121 9.429 6.244 1.00 1.38 H new ATOM 0 HG23 ILE A 442 8.619 8.475 6.260 1.00 1.38 H new ATOM 0 HD11 ILE A 442 7.776 5.256 7.843 1.00 1.48 H new ATOM 0 HD12 ILE A 442 7.621 6.885 7.142 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.370 5.577 6.196 1.00 1.48 H new ATOM 1261 N THR A 443 10.572 8.277 3.581 1.00 1.13 N ATOM 1262 CA THR A 443 10.970 9.324 2.632 1.00 1.36 C ATOM 1263 C THR A 443 12.443 9.232 2.230 1.00 1.47 C ATOM 1264 O THR A 443 13.334 9.216 3.073 1.00 2.20 O ATOM 1265 CB THR A 443 10.666 10.745 3.163 1.00 2.21 C ATOM 1266 OG1 THR A 443 11.012 11.719 2.170 1.00 3.05 O ATOM 1267 CG2 THR A 443 11.428 11.042 4.445 1.00 2.78 C ATOM 0 H THR A 443 9.696 7.817 3.334 1.00 1.13 H new ATOM 0 HA THR A 443 10.364 9.147 1.743 1.00 1.36 H new ATOM 0 HB THR A 443 9.599 10.795 3.382 1.00 2.21 H new ATOM 0 HG1 THR A 443 10.816 12.617 2.510 1.00 3.05 H new ATOM 0 HG21 THR A 443 11.188 12.049 4.786 1.00 2.78 H new ATOM 0 HG22 THR A 443 11.144 10.322 5.212 1.00 2.78 H new ATOM 0 HG23 THR A 443 12.499 10.969 4.257 1.00 2.78 H new ATOM 1275 N VAL A 444 12.675 9.183 0.917 1.00 1.90 N ATOM 1276 CA VAL A 444 14.015 9.097 0.341 1.00 2.70 C ATOM 1277 C VAL A 444 14.802 7.906 0.892 1.00 3.02 C ATOM 1278 O VAL A 444 14.904 7.702 2.102 1.00 3.60 O ATOM 1279 CB VAL A 444 14.817 10.408 0.526 1.00 3.53 C ATOM 1280 CG1 VAL A 444 15.499 10.484 1.885 1.00 4.18 C ATOM 1281 CG2 VAL A 444 15.824 10.554 -0.598 1.00 4.02 C ATOM 0 H VAL A 444 11.931 9.202 0.219 1.00 1.90 H new ATOM 0 HA VAL A 444 13.874 8.941 -0.729 1.00 2.70 H new ATOM 0 HB VAL A 444 14.113 11.239 0.488 1.00 3.53 H new ATOM 0 HG11 VAL A 444 16.048 11.422 1.965 1.00 4.18 H new ATOM 0 HG12 VAL A 444 14.747 10.436 2.673 1.00 4.18 H new ATOM 0 HG13 VAL A 444 16.191 9.649 1.992 1.00 4.18 H new ATOM 0 HG21 VAL A 444 16.387 11.478 -0.465 1.00 4.02 H new ATOM 0 HG22 VAL A 444 16.509 9.707 -0.585 1.00 4.02 H new ATOM 0 HG23 VAL A 444 15.301 10.583 -1.554 1.00 4.02 H new ATOM 1291 N LEU A 445 15.352 7.110 -0.016 1.00 3.13 N ATOM 1292 CA LEU A 445 16.123 5.933 0.367 1.00 3.83 C ATOM 1293 C LEU A 445 17.445 6.327 1.028 1.00 4.75 C ATOM 1294 O LEU A 445 18.279 6.990 0.412 1.00 4.99 O ATOM 1295 CB LEU A 445 16.398 5.057 -0.860 1.00 3.87 C ATOM 1296 CG LEU A 445 15.152 4.534 -1.579 1.00 3.48 C ATOM 1297 CD1 LEU A 445 15.544 3.737 -2.813 1.00 3.82 C ATOM 1298 CD2 LEU A 445 14.309 3.682 -0.640 1.00 3.70 C ATOM 0 H LEU A 445 15.279 7.257 -1.023 1.00 3.13 H new ATOM 0 HA LEU A 445 15.534 5.369 1.090 1.00 3.83 H new ATOM 0 HB2 LEU A 445 16.994 5.631 -1.570 1.00 3.87 H new ATOM 0 HB3 LEU A 445 17.004 4.205 -0.550 1.00 3.87 H new ATOM 0 HG LEU A 445 14.555 5.389 -1.896 1.00 3.48 H new ATOM 0 HD11 LEU A 445 14.646 3.373 -3.312 1.00 3.82 H new ATOM 0 HD12 LEU A 445 16.104 4.376 -3.496 1.00 3.82 H new ATOM 0 HD13 LEU A 445 16.163 2.890 -2.518 1.00 3.82 H new ATOM 0 HD21 LEU A 445 13.428 3.320 -1.170 1.00 3.70 H new ATOM 0 HD22 LEU A 445 14.898 2.833 -0.292 1.00 3.70 H new ATOM 0 HD23 LEU A 445 13.997 4.282 0.215 1.00 3.70 H new ATOM 1310 N PRO A 446 17.654 5.918 2.294 1.00 5.56 N ATOM 1311 CA PRO A 446 18.882 6.226 3.031 1.00 6.59 C ATOM 1312 C PRO A 446 20.041 5.321 2.624 1.00 7.07 C ATOM 1313 O PRO A 446 19.866 4.112 2.463 1.00 7.26 O ATOM 1314 CB PRO A 446 18.485 5.968 4.482 1.00 7.40 C ATOM 1315 CG PRO A 446 17.447 4.902 4.403 1.00 6.97 C ATOM 1316 CD PRO A 446 16.713 5.117 3.105 1.00 5.82 C ATOM 0 HA PRO A 446 19.235 7.240 2.842 1.00 6.59 H new ATOM 0 HB2 PRO A 446 19.340 5.645 5.076 1.00 7.40 H new ATOM 0 HB3 PRO A 446 18.092 6.870 4.952 1.00 7.40 H new ATOM 0 HG2 PRO A 446 17.904 3.913 4.431 1.00 6.97 H new ATOM 0 HG3 PRO A 446 16.764 4.962 5.250 1.00 6.97 H new ATOM 0 HD2 PRO A 446 16.473 4.171 2.620 1.00 5.82 H new ATOM 0 HD3 PRO A 446 15.771 5.643 3.261 1.00 5.82 H new ATOM 1324 N ALA A 447 21.225 5.908 2.463 1.00 7.52 N ATOM 1325 CA ALA A 447 22.408 5.147 2.079 1.00 8.19 C ATOM 1326 C ALA A 447 23.673 6.000 2.162 1.00 8.83 C ATOM 1327 O ALA A 447 23.705 7.124 1.659 1.00 9.06 O ATOM 1328 CB ALA A 447 22.244 4.591 0.672 1.00 8.42 C ATOM 0 H ALA A 447 21.389 6.906 2.593 1.00 7.52 H new ATOM 0 HA ALA A 447 22.514 4.320 2.781 1.00 8.19 H new ATOM 0 HB1 ALA A 447 23.135 4.025 0.398 1.00 8.42 H new ATOM 0 HB2 ALA A 447 21.373 3.936 0.639 1.00 8.42 H new ATOM 0 HB3 ALA A 447 22.106 5.413 -0.030 1.00 8.42 H new ATOM 1334 N PRO A 448 24.737 5.472 2.794 1.00 9.38 N ATOM 1335 CA PRO A 448 26.011 6.187 2.933 1.00 10.23 C ATOM 1336 C PRO A 448 26.695 6.411 1.585 1.00 10.87 C ATOM 1337 O PRO A 448 26.654 5.543 0.713 1.00 11.06 O ATOM 1338 CB PRO A 448 26.855 5.260 3.812 1.00 10.80 C ATOM 1339 CG PRO A 448 26.259 3.908 3.623 1.00 10.31 C ATOM 1340 CD PRO A 448 24.788 4.134 3.413 1.00 9.48 C ATOM 0 HA PRO A 448 25.874 7.182 3.357 1.00 10.23 H new ATOM 0 HB2 PRO A 448 27.903 5.276 3.511 1.00 10.80 H new ATOM 0 HB3 PRO A 448 26.819 5.565 4.858 1.00 10.80 H new ATOM 0 HG2 PRO A 448 26.703 3.401 2.766 1.00 10.31 H new ATOM 0 HG3 PRO A 448 26.437 3.277 4.494 1.00 10.31 H new ATOM 0 HD2 PRO A 448 24.352 3.374 2.765 1.00 9.48 H new ATOM 0 HD3 PRO A 448 24.238 4.104 4.353 1.00 9.48 H new ATOM 1348 N PRO A 449 27.336 7.578 1.393 1.00 11.41 N ATOM 1349 CA PRO A 449 28.026 7.898 0.137 1.00 12.23 C ATOM 1350 C PRO A 449 29.143 6.908 -0.173 1.00 13.10 C ATOM 1351 O PRO A 449 30.119 6.803 0.571 1.00 13.50 O ATOM 1352 CB PRO A 449 28.603 9.298 0.381 1.00 12.72 C ATOM 1353 CG PRO A 449 28.610 9.467 1.862 1.00 12.39 C ATOM 1354 CD PRO A 449 27.442 8.672 2.372 1.00 11.49 C ATOM 0 HA PRO A 449 27.352 7.850 -0.718 1.00 12.23 H new ATOM 0 HB2 PRO A 449 29.609 9.386 -0.030 1.00 12.72 H new ATOM 0 HB3 PRO A 449 27.994 10.064 -0.100 1.00 12.72 H new ATOM 0 HG2 PRO A 449 29.545 9.107 2.292 1.00 12.39 H new ATOM 0 HG3 PRO A 449 28.517 10.518 2.136 1.00 12.39 H new ATOM 0 HD2 PRO A 449 27.618 8.296 3.380 1.00 11.49 H new ATOM 0 HD3 PRO A 449 26.532 9.270 2.409 1.00 11.49 H new ATOM 1362 N LEU A 450 28.992 6.184 -1.278 1.00 13.55 N ATOM 1363 CA LEU A 450 29.985 5.202 -1.692 1.00 14.50 C ATOM 1364 C LEU A 450 31.124 5.888 -2.443 1.00 14.96 C ATOM 1365 O LEU A 450 30.886 6.687 -3.349 1.00 15.17 O ATOM 1366 CB LEU A 450 29.324 4.135 -2.575 1.00 15.07 C ATOM 1367 CG LEU A 450 30.112 2.831 -2.766 1.00 15.25 C ATOM 1368 CD1 LEU A 450 31.385 3.065 -3.565 1.00 15.76 C ATOM 1369 CD2 LEU A 450 30.436 2.203 -1.418 1.00 15.35 C ATOM 0 H LEU A 450 28.189 6.260 -1.903 1.00 13.55 H new ATOM 0 HA LEU A 450 30.399 4.718 -0.807 1.00 14.50 H new ATOM 0 HB2 LEU A 450 28.353 3.889 -2.146 1.00 15.07 H new ATOM 0 HB3 LEU A 450 29.138 4.570 -3.557 1.00 15.07 H new ATOM 0 HG LEU A 450 29.485 2.142 -3.332 1.00 15.25 H new ATOM 0 HD11 LEU A 450 31.919 2.122 -3.682 1.00 15.76 H new ATOM 0 HD12 LEU A 450 31.130 3.462 -4.547 1.00 15.76 H new ATOM 0 HD13 LEU A 450 32.019 3.778 -3.039 1.00 15.76 H new ATOM 0 HD21 LEU A 450 30.995 1.280 -1.572 1.00 15.35 H new ATOM 0 HD22 LEU A 450 31.036 2.896 -0.828 1.00 15.35 H new ATOM 0 HD23 LEU A 450 29.510 1.983 -0.887 1.00 15.35 H new ATOM 1381 N ALA A 451 32.359 5.569 -2.063 1.00 15.28 N ATOM 1382 CA ALA A 451 33.531 6.155 -2.705 1.00 15.91 C ATOM 1383 C ALA A 451 34.817 5.499 -2.210 1.00 16.47 C ATOM 1384 O ALA A 451 35.020 5.347 -1.004 1.00 16.74 O ATOM 1385 CB ALA A 451 33.577 7.656 -2.455 1.00 16.18 C ATOM 0 H ALA A 451 32.573 4.909 -1.315 1.00 15.28 H new ATOM 0 HA ALA A 451 33.451 5.977 -3.777 1.00 15.91 H new ATOM 0 HB1 ALA A 451 34.457 8.079 -2.940 1.00 16.18 H new ATOM 0 HB2 ALA A 451 32.679 8.120 -2.863 1.00 16.18 H new ATOM 0 HB3 ALA A 451 33.628 7.845 -1.383 1.00 16.18 H new ATOM 1391 N PRO A 452 35.710 5.098 -3.136 1.00 16.82 N ATOM 1392 CA PRO A 452 36.979 4.460 -2.783 1.00 17.52 C ATOM 1393 C PRO A 452 38.033 5.468 -2.336 1.00 18.21 C ATOM 1394 O PRO A 452 39.209 5.343 -2.680 1.00 18.53 O ATOM 1395 CB PRO A 452 37.398 3.792 -4.091 1.00 17.79 C ATOM 1396 CG PRO A 452 36.836 4.672 -5.153 1.00 17.36 C ATOM 1397 CD PRO A 452 35.554 5.238 -4.599 1.00 16.73 C ATOM 0 HA PRO A 452 36.877 3.772 -1.944 1.00 17.52 H new ATOM 0 HB2 PRO A 452 38.483 3.718 -4.169 1.00 17.79 H new ATOM 0 HB3 PRO A 452 37.003 2.779 -4.164 1.00 17.79 H new ATOM 0 HG2 PRO A 452 37.535 5.469 -5.408 1.00 17.36 H new ATOM 0 HG3 PRO A 452 36.649 4.108 -6.067 1.00 17.36 H new ATOM 0 HD2 PRO A 452 35.419 6.280 -4.889 1.00 16.73 H new ATOM 0 HD3 PRO A 452 34.685 4.690 -4.963 1.00 16.73 H new ATOM 1405 N ASP A 453 37.604 6.467 -1.567 1.00 18.57 N ATOM 1406 CA ASP A 453 38.511 7.497 -1.073 1.00 19.36 C ATOM 1407 C ASP A 453 37.781 8.437 -0.114 1.00 19.52 C ATOM 1408 O ASP A 453 37.796 9.656 -0.285 1.00 19.55 O ATOM 1409 CB ASP A 453 39.105 8.292 -2.242 1.00 19.71 C ATOM 1410 CG ASP A 453 40.305 9.127 -1.836 1.00 20.25 C ATOM 1411 OD1 ASP A 453 40.141 10.021 -0.979 1.00 20.48 O ATOM 1412 OD2 ASP A 453 41.408 8.891 -2.372 1.00 20.55 O ATOM 0 H ASP A 453 36.634 6.584 -1.273 1.00 18.57 H new ATOM 0 HA ASP A 453 39.323 7.010 -0.533 1.00 19.36 H new ATOM 0 HB2 ASP A 453 39.399 7.602 -3.033 1.00 19.71 H new ATOM 0 HB3 ASP A 453 38.338 8.945 -2.658 1.00 19.71 H new ATOM 1417 N GLN A 454 37.134 7.856 0.894 1.00 19.77 N ATOM 1418 CA GLN A 454 36.395 8.636 1.881 1.00 20.09 C ATOM 1419 C GLN A 454 35.928 7.749 3.032 1.00 20.37 C ATOM 1420 O GLN A 454 36.220 8.091 4.197 1.00 20.63 O ATOM 1421 CB GLN A 454 35.190 9.320 1.231 1.00 20.30 C ATOM 1422 CG GLN A 454 34.407 10.209 2.184 1.00 20.53 C ATOM 1423 CD GLN A 454 33.222 10.881 1.519 1.00 20.93 C ATOM 1424 OE1 GLN A 454 33.376 11.606 0.537 1.00 21.22 O ATOM 1425 NE2 GLN A 454 32.030 10.645 2.056 1.00 21.08 N ATOM 1426 OXT GLN A 454 35.274 6.721 2.758 1.00 20.45 O ATOM 0 H GLN A 454 37.107 6.848 1.048 1.00 19.77 H new ATOM 0 HA GLN A 454 37.065 9.399 2.277 1.00 20.09 H new ATOM 0 HB2 GLN A 454 35.534 9.920 0.388 1.00 20.30 H new ATOM 0 HB3 GLN A 454 34.523 8.557 0.828 1.00 20.30 H new ATOM 0 HG2 GLN A 454 34.055 9.612 3.025 1.00 20.53 H new ATOM 0 HG3 GLN A 454 35.071 10.972 2.590 1.00 20.53 H new ATOM 0 HE21 GLN A 454 31.949 10.037 2.871 1.00 21.08 H new ATOM 0 HE22 GLN A 454 31.196 11.072 1.654 1.00 21.08 H new TER 1435 GLN A 454