USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 5 ASN : amide:sc= -4.95! C(o=-4.4!,f=-17!) USER MOD Set 1.2: A 15 THR OG1 : rot -101:sc= 0.518 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.718 X(o=-0.72,f=-0.74!) USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00478 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 98:sc= -0.335! USER MOD Single : A 29 THR OG1 : rot -149:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -5.3! C(o=-5.3!,f=-7.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 37 ASN : amide:sc= -2.79! C(o=-2.8!,f=-11!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.15) USER MOD Single : A 46 ASN : amide:sc= -2.73! C(o=-2.7!,f=-5.2!) USER MOD Single : A 48 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.18) USER MOD Single : A 51 THR OG1 : rot -83:sc= 0.132 USER MOD Single : A 52 THR OG1 : rot 104:sc= 1 USER MOD Single : A 57 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.17) USER MOD Single : A 60 THR OG1 : rot -150:sc= 0.0577 USER MOD Single : A 61 TYR OH : rot 165:sc= -0.889 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= -0.0674 (180deg=-0.502) USER MOD Single : A 70 ASN : amide:sc= -5.56! C(o=-5.6!,f=-11!) USER MOD Single : A 72 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.6) USER MOD Single : A 74 GLN : amide:sc= -2.76! C(o=-2.8!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.716 -11.691 -6.337 1.00 0.00 N ATOM 2 CA LEU A 1 4.271 -10.287 -6.558 1.00 0.00 C ATOM 3 C LEU A 1 4.751 -9.411 -5.400 1.00 0.00 C ATOM 4 O LEU A 1 3.977 -8.984 -4.567 1.00 0.00 O ATOM 5 CB LEU A 1 2.742 -10.241 -6.630 1.00 0.00 C ATOM 6 CG LEU A 1 2.311 -9.317 -7.771 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.738 -7.881 -7.458 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.971 -9.772 -9.074 1.00 0.00 C ATOM 0 H1 LEU A 1 4.390 -12.287 -7.125 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.754 -11.722 -6.287 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.315 -12.046 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 1 4.691 -9.917 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.345 -11.243 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.334 -9.884 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 1 1.227 -9.357 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.430 -7.224 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.267 -7.555 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.822 -7.839 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.664 -9.114 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.055 -9.733 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.665 -10.794 -9.299 1.00 0.00 H new ATOM 22 N GLN A 2 6.026 -9.137 -5.341 1.00 0.00 N ATOM 23 CA GLN A 2 6.555 -8.287 -4.239 1.00 0.00 C ATOM 24 C GLN A 2 6.078 -6.850 -4.433 1.00 0.00 C ATOM 25 O GLN A 2 5.685 -6.455 -5.511 1.00 0.00 O ATOM 26 CB GLN A 2 8.085 -8.325 -4.255 1.00 0.00 C ATOM 27 CG GLN A 2 8.562 -9.763 -4.040 1.00 0.00 C ATOM 28 CD GLN A 2 9.920 -9.957 -4.718 1.00 0.00 C ATOM 29 OE1 GLN A 2 10.715 -9.040 -4.786 1.00 0.00 O ATOM 30 NE2 GLN A 2 10.221 -11.120 -5.228 1.00 0.00 N ATOM 0 H GLN A 2 6.723 -9.466 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 2 6.193 -8.664 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.459 -7.945 -5.206 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.484 -7.678 -3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.642 -9.975 -2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.835 -10.464 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.554 -11.890 -5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.123 -11.259 -5.683 1.00 0.00 H new ATOM 39 N CYS A 3 6.107 -6.069 -3.393 1.00 0.00 N ATOM 40 CA CYS A 3 5.657 -4.655 -3.508 1.00 0.00 C ATOM 41 C CYS A 3 6.287 -3.832 -2.383 1.00 0.00 C ATOM 42 O CYS A 3 6.746 -4.368 -1.394 1.00 0.00 O ATOM 43 CB CYS A 3 4.135 -4.590 -3.401 1.00 0.00 C ATOM 44 SG CYS A 3 3.394 -5.048 -4.990 1.00 0.00 S ATOM 0 H CYS A 3 6.424 -6.349 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 3 5.966 -4.251 -4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.786 -5.263 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.823 -3.584 -3.119 1.00 0.00 H new ATOM 49 N TYR A 4 6.314 -2.536 -2.523 1.00 0.00 N ATOM 50 CA TYR A 4 6.918 -1.686 -1.459 1.00 0.00 C ATOM 51 C TYR A 4 5.858 -1.357 -0.406 1.00 0.00 C ATOM 52 O TYR A 4 5.109 -0.410 -0.541 1.00 0.00 O ATOM 53 CB TYR A 4 7.442 -0.389 -2.076 1.00 0.00 C ATOM 54 CG TYR A 4 8.631 -0.691 -2.956 1.00 0.00 C ATOM 55 CD1 TYR A 4 9.904 -0.834 -2.389 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.461 -0.829 -4.338 1.00 0.00 C ATOM 57 CE1 TYR A 4 11.006 -1.113 -3.206 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.563 -1.108 -5.155 1.00 0.00 C ATOM 59 CZ TYR A 4 10.836 -1.250 -4.588 1.00 0.00 C ATOM 60 OH TYR A 4 11.921 -1.526 -5.394 1.00 0.00 O ATOM 0 H TYR A 4 5.944 -2.029 -3.327 1.00 0.00 H new ATOM 0 HA TYR A 4 7.742 -2.224 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.657 0.091 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.727 0.310 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.035 -0.729 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.479 -0.720 -4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.988 -1.223 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.432 -1.214 -6.222 1.00 0.00 H new ATOM 0 HH TYR A 4 11.628 -1.590 -6.327 1.00 0.00 H new ATOM 70 N ASN A 5 5.791 -2.131 0.642 1.00 0.00 N ATOM 71 CA ASN A 5 4.780 -1.857 1.700 1.00 0.00 C ATOM 72 C ASN A 5 4.877 -0.392 2.124 1.00 0.00 C ATOM 73 O ASN A 5 5.944 0.190 2.146 1.00 0.00 O ATOM 74 CB ASN A 5 5.043 -2.756 2.910 1.00 0.00 C ATOM 75 CG ASN A 5 6.342 -2.325 3.595 1.00 0.00 C ATOM 76 OD1 ASN A 5 7.355 -2.152 2.948 1.00 0.00 O ATOM 77 ND2 ASN A 5 6.353 -2.143 4.888 1.00 0.00 N ATOM 0 H ASN A 5 6.391 -2.939 0.811 1.00 0.00 H new ATOM 0 HA ASN A 5 3.783 -2.061 1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.211 -2.692 3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.114 -3.797 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.213 -1.855 5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.502 -2.288 5.431 1.00 0.00 H new ATOM 84 N CYS A 6 3.770 0.210 2.458 1.00 0.00 N ATOM 85 CA CYS A 6 3.795 1.637 2.879 1.00 0.00 C ATOM 86 C CYS A 6 2.358 2.142 3.025 1.00 0.00 C ATOM 87 O CYS A 6 1.764 2.601 2.069 1.00 0.00 O ATOM 88 CB CYS A 6 4.525 2.470 1.823 1.00 0.00 C ATOM 89 SG CYS A 6 5.979 3.249 2.567 1.00 0.00 S ATOM 0 H CYS A 6 2.848 -0.226 2.457 1.00 0.00 H new ATOM 0 HA CYS A 6 4.315 1.729 3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.826 1.836 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.857 3.232 1.420 1.00 0.00 H new ATOM 94 N PRO A 7 1.840 2.039 4.222 1.00 0.00 N ATOM 95 CA PRO A 7 0.468 2.474 4.534 1.00 0.00 C ATOM 96 C PRO A 7 0.402 4.001 4.634 1.00 0.00 C ATOM 97 O PRO A 7 -0.661 4.580 4.735 1.00 0.00 O ATOM 98 CB PRO A 7 0.180 1.816 5.887 1.00 0.00 C ATOM 99 CG PRO A 7 1.557 1.518 6.528 1.00 0.00 C ATOM 100 CD PRO A 7 2.577 1.482 5.376 1.00 0.00 C ATOM 0 HA PRO A 7 -0.258 2.192 3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.410 2.476 6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.396 0.899 5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.820 2.286 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.539 0.567 7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.461 2.076 5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.918 0.466 5.178 1.00 0.00 H new ATOM 108 N ASN A 8 1.529 4.656 4.598 1.00 0.00 N ATOM 109 CA ASN A 8 1.527 6.144 4.681 1.00 0.00 C ATOM 110 C ASN A 8 1.693 6.723 3.275 1.00 0.00 C ATOM 111 O ASN A 8 2.245 6.082 2.404 1.00 0.00 O ATOM 112 CB ASN A 8 2.684 6.610 5.567 1.00 0.00 C ATOM 113 CG ASN A 8 3.940 5.803 5.239 1.00 0.00 C ATOM 114 OD1 ASN A 8 4.261 5.600 4.085 1.00 0.00 O ATOM 115 ND2 ASN A 8 4.670 5.330 6.212 1.00 0.00 N ATOM 0 H ASN A 8 2.450 4.226 4.515 1.00 0.00 H new ATOM 0 HA ASN A 8 0.586 6.487 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.871 7.672 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.423 6.485 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.510 4.790 6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.401 5.500 7.181 1.00 0.00 H new ATOM 122 N PRO A 9 1.204 7.922 3.094 1.00 0.00 N ATOM 123 CA PRO A 9 1.281 8.616 1.800 1.00 0.00 C ATOM 124 C PRO A 9 2.689 9.158 1.575 1.00 0.00 C ATOM 125 O PRO A 9 2.969 10.319 1.796 1.00 0.00 O ATOM 126 CB PRO A 9 0.260 9.747 1.935 1.00 0.00 C ATOM 127 CG PRO A 9 0.073 9.986 3.453 1.00 0.00 C ATOM 128 CD PRO A 9 0.536 8.697 4.160 1.00 0.00 C ATOM 0 HA PRO A 9 1.070 7.970 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.614 10.651 1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.685 9.475 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.659 10.843 3.786 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.969 10.203 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.218 8.916 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.306 8.150 4.583 1.00 0.00 H new ATOM 136 N THR A 10 3.577 8.313 1.137 1.00 0.00 N ATOM 137 CA THR A 10 4.978 8.757 0.891 1.00 0.00 C ATOM 138 C THR A 10 5.311 8.589 -0.593 1.00 0.00 C ATOM 139 O THR A 10 4.665 7.844 -1.303 1.00 0.00 O ATOM 140 CB THR A 10 5.935 7.905 1.730 1.00 0.00 C ATOM 141 OG1 THR A 10 7.263 8.377 1.553 1.00 0.00 O ATOM 142 CG2 THR A 10 5.847 6.446 1.283 1.00 0.00 C ATOM 0 H THR A 10 3.394 7.330 0.937 1.00 0.00 H new ATOM 0 HA THR A 10 5.084 9.805 1.170 1.00 0.00 H new ATOM 0 HB THR A 10 5.660 7.977 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.877 7.834 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.528 5.841 1.881 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.827 6.085 1.418 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.122 6.371 0.231 1.00 0.00 H new ATOM 150 N ALA A 11 6.314 9.276 -1.066 1.00 0.00 N ATOM 151 CA ALA A 11 6.686 9.156 -2.505 1.00 0.00 C ATOM 152 C ALA A 11 8.123 8.646 -2.619 1.00 0.00 C ATOM 153 O ALA A 11 8.854 9.016 -3.516 1.00 0.00 O ATOM 154 CB ALA A 11 6.576 10.527 -3.177 1.00 0.00 C ATOM 0 H ALA A 11 6.892 9.915 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 11 6.012 8.455 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.848 10.439 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.552 10.891 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.250 11.228 -2.685 1.00 0.00 H new ATOM 160 N ASP A 12 8.534 7.800 -1.716 1.00 0.00 N ATOM 161 CA ASP A 12 9.925 7.269 -1.775 1.00 0.00 C ATOM 162 C ASP A 12 10.052 6.062 -0.845 1.00 0.00 C ATOM 163 O ASP A 12 11.085 5.833 -0.247 1.00 0.00 O ATOM 164 CB ASP A 12 10.906 8.357 -1.336 1.00 0.00 C ATOM 165 CG ASP A 12 10.354 9.078 -0.104 1.00 0.00 C ATOM 166 OD1 ASP A 12 9.277 9.642 -0.206 1.00 0.00 O ATOM 167 OD2 ASP A 12 11.018 9.054 0.919 1.00 0.00 O ATOM 0 H ASP A 12 7.968 7.454 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 12 10.153 6.965 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.876 7.916 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.063 9.069 -2.147 1.00 0.00 H new ATOM 172 N CYS A 13 9.013 5.284 -0.723 1.00 0.00 N ATOM 173 CA CYS A 13 9.081 4.091 0.164 1.00 0.00 C ATOM 174 C CYS A 13 10.208 3.172 -0.312 1.00 0.00 C ATOM 175 O CYS A 13 10.320 2.868 -1.483 1.00 0.00 O ATOM 176 CB CYS A 13 7.750 3.340 0.112 1.00 0.00 C ATOM 177 SG CYS A 13 7.543 2.376 1.631 1.00 0.00 S ATOM 0 H CYS A 13 8.121 5.423 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 13 9.277 4.407 1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.926 4.045 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.725 2.681 -0.756 1.00 0.00 H new ATOM 182 N LYS A 14 11.045 2.728 0.584 1.00 0.00 N ATOM 183 CA LYS A 14 12.164 1.832 0.179 1.00 0.00 C ATOM 184 C LYS A 14 12.108 0.539 0.995 1.00 0.00 C ATOM 185 O LYS A 14 13.103 0.084 1.523 1.00 0.00 O ATOM 186 CB LYS A 14 13.498 2.538 0.436 1.00 0.00 C ATOM 187 CG LYS A 14 13.645 2.816 1.933 1.00 0.00 C ATOM 188 CD LYS A 14 14.964 3.548 2.190 1.00 0.00 C ATOM 189 CE LYS A 14 16.124 2.731 1.619 1.00 0.00 C ATOM 190 NZ LYS A 14 17.197 2.600 2.645 1.00 0.00 N ATOM 0 H LYS A 14 11.003 2.947 1.579 1.00 0.00 H new ATOM 0 HA LYS A 14 12.073 1.595 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.324 1.918 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.542 3.472 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.808 3.419 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.622 1.880 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.940 4.535 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.105 3.700 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.773 1.744 1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.518 3.216 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.985 2.044 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.539 3.545 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.817 2.119 3.485 1.00 0.00 H new ATOM 204 N THR A 15 10.952 -0.055 1.106 1.00 0.00 N ATOM 205 CA THR A 15 10.835 -1.318 1.889 1.00 0.00 C ATOM 206 C THR A 15 10.082 -2.364 1.064 1.00 0.00 C ATOM 207 O THR A 15 8.870 -2.439 1.100 1.00 0.00 O ATOM 208 CB THR A 15 10.070 -1.044 3.187 1.00 0.00 C ATOM 209 OG1 THR A 15 9.563 -2.266 3.703 1.00 0.00 O ATOM 210 CG2 THR A 15 8.911 -0.086 2.905 1.00 0.00 C ATOM 0 H THR A 15 10.083 0.279 0.689 1.00 0.00 H new ATOM 0 HA THR A 15 11.831 -1.692 2.126 1.00 0.00 H new ATOM 0 HB THR A 15 10.742 -0.593 3.917 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.610 -2.343 3.486 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.367 0.109 3.829 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.302 0.852 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.237 -0.535 2.175 1.00 0.00 H new ATOM 218 N ALA A 16 10.789 -3.173 0.323 1.00 0.00 N ATOM 219 CA ALA A 16 10.112 -4.212 -0.503 1.00 0.00 C ATOM 220 C ALA A 16 9.582 -5.323 0.406 1.00 0.00 C ATOM 221 O ALA A 16 9.999 -5.462 1.538 1.00 0.00 O ATOM 222 CB ALA A 16 11.112 -4.803 -1.499 1.00 0.00 C ATOM 0 H ALA A 16 11.807 -3.159 0.254 1.00 0.00 H new ATOM 0 HA ALA A 16 9.282 -3.760 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.617 -5.563 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.490 -4.013 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.942 -5.255 -0.956 1.00 0.00 H new ATOM 228 N VAL A 17 8.666 -6.116 -0.080 1.00 0.00 N ATOM 229 CA VAL A 17 8.114 -7.216 0.761 1.00 0.00 C ATOM 230 C VAL A 17 7.023 -7.956 -0.017 1.00 0.00 C ATOM 231 O VAL A 17 6.194 -7.352 -0.667 1.00 0.00 O ATOM 232 CB VAL A 17 7.516 -6.626 2.039 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.430 -5.616 1.672 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.906 -7.747 2.881 1.00 0.00 C ATOM 0 H VAL A 17 8.277 -6.050 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 17 8.912 -7.913 1.019 1.00 0.00 H new ATOM 0 HB VAL A 17 8.299 -6.127 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.003 -5.195 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.864 -4.817 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.647 -6.115 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.480 -7.327 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.123 -8.246 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.680 -8.469 3.142 1.00 0.00 H new ATOM 244 N ASN A 18 7.014 -9.260 0.048 1.00 0.00 N ATOM 245 CA ASN A 18 5.973 -10.033 -0.686 1.00 0.00 C ATOM 246 C ASN A 18 4.589 -9.633 -0.172 1.00 0.00 C ATOM 247 O ASN A 18 4.283 -9.782 0.995 1.00 0.00 O ATOM 248 CB ASN A 18 6.187 -11.529 -0.455 1.00 0.00 C ATOM 249 CG ASN A 18 7.141 -12.078 -1.518 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.833 -12.094 -2.694 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.296 -12.526 -1.115 1.00 0.00 N ATOM 0 H ASN A 18 7.681 -9.822 0.577 1.00 0.00 H new ATOM 0 HA ASN A 18 6.045 -9.817 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.598 -11.699 0.540 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.233 -12.055 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.962 -12.900 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.534 -12.503 -0.123 1.00 0.00 H new ATOM 257 N CYS A 19 3.751 -9.126 -1.032 1.00 0.00 N ATOM 258 CA CYS A 19 2.388 -8.720 -0.589 1.00 0.00 C ATOM 259 C CYS A 19 1.797 -9.815 0.300 1.00 0.00 C ATOM 260 O CYS A 19 1.728 -9.680 1.505 1.00 0.00 O ATOM 261 CB CYS A 19 1.493 -8.519 -1.813 1.00 0.00 C ATOM 262 SG CYS A 19 1.990 -7.011 -2.684 1.00 0.00 S ATOM 0 H CYS A 19 3.950 -8.975 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 19 2.450 -7.788 -0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.571 -9.379 -2.479 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.450 -8.447 -1.506 1.00 0.00 H new ATOM 267 N SER A 20 1.374 -10.902 -0.285 1.00 0.00 N ATOM 268 CA SER A 20 0.791 -12.006 0.528 1.00 0.00 C ATOM 269 C SER A 20 -0.493 -11.518 1.204 1.00 0.00 C ATOM 270 O SER A 20 -0.692 -10.336 1.398 1.00 0.00 O ATOM 271 CB SER A 20 1.796 -12.436 1.597 1.00 0.00 C ATOM 272 OG SER A 20 1.835 -13.855 1.660 1.00 0.00 O ATOM 0 H SER A 20 1.407 -11.073 -1.290 1.00 0.00 H new ATOM 0 HA SER A 20 0.563 -12.853 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.785 -12.043 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.512 -12.025 2.566 1.00 0.00 H new ATOM 0 HG SER A 20 2.480 -14.135 2.343 1.00 0.00 H new ATOM 278 N SER A 21 -1.362 -12.424 1.564 1.00 0.00 N ATOM 279 CA SER A 21 -2.635 -12.027 2.232 1.00 0.00 C ATOM 280 C SER A 21 -3.637 -11.541 1.181 1.00 0.00 C ATOM 281 O SER A 21 -4.199 -10.469 1.294 1.00 0.00 O ATOM 282 CB SER A 21 -2.361 -10.909 3.239 1.00 0.00 C ATOM 283 OG SER A 21 -1.025 -11.024 3.714 1.00 0.00 O ATOM 0 H SER A 21 -1.244 -13.427 1.423 1.00 0.00 H new ATOM 0 HA SER A 21 -3.051 -12.888 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.510 -9.936 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.062 -10.973 4.071 1.00 0.00 H new ATOM 0 HG SER A 21 -0.448 -10.403 3.222 1.00 0.00 H new ATOM 289 N ASP A 22 -3.867 -12.324 0.162 1.00 0.00 N ATOM 290 CA ASP A 22 -4.835 -11.919 -0.900 1.00 0.00 C ATOM 291 C ASP A 22 -4.338 -10.653 -1.603 1.00 0.00 C ATOM 292 O ASP A 22 -4.766 -9.555 -1.306 1.00 0.00 O ATOM 293 CB ASP A 22 -6.205 -11.649 -0.272 1.00 0.00 C ATOM 294 CG ASP A 22 -6.818 -12.967 0.207 1.00 0.00 C ATOM 295 OD1 ASP A 22 -6.139 -13.690 0.917 1.00 0.00 O ATOM 296 OD2 ASP A 22 -7.956 -13.231 -0.144 1.00 0.00 O ATOM 0 H ASP A 22 -3.424 -13.232 0.018 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.921 -12.725 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.103 -10.958 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.863 -11.173 -1.000 1.00 0.00 H new ATOM 301 N PHE A 23 -3.441 -10.801 -2.539 1.00 0.00 N ATOM 302 CA PHE A 23 -2.916 -9.614 -3.274 1.00 0.00 C ATOM 303 C PHE A 23 -2.262 -10.084 -4.575 1.00 0.00 C ATOM 304 O PHE A 23 -1.371 -10.911 -4.567 1.00 0.00 O ATOM 305 CB PHE A 23 -1.876 -8.897 -2.411 1.00 0.00 C ATOM 306 CG PHE A 23 -2.569 -8.162 -1.289 1.00 0.00 C ATOM 307 CD1 PHE A 23 -3.103 -6.886 -1.510 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.679 -8.756 -0.027 1.00 0.00 C ATOM 309 CE1 PHE A 23 -3.745 -6.206 -0.470 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.320 -8.074 1.014 1.00 0.00 C ATOM 311 CZ PHE A 23 -3.854 -6.800 0.793 1.00 0.00 C ATOM 0 H PHE A 23 -3.047 -11.696 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.733 -8.928 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.167 -9.618 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.304 -8.197 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.019 -6.427 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.269 -9.741 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.157 -5.222 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.402 -8.532 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.350 -6.275 1.596 1.00 0.00 H new ATOM 321 N ASP A 24 -2.701 -9.576 -5.696 1.00 0.00 N ATOM 322 CA ASP A 24 -2.100 -10.016 -6.988 1.00 0.00 C ATOM 323 C ASP A 24 -1.933 -8.821 -7.931 1.00 0.00 C ATOM 324 O ASP A 24 -1.827 -8.983 -9.131 1.00 0.00 O ATOM 325 CB ASP A 24 -3.016 -11.053 -7.641 1.00 0.00 C ATOM 326 CG ASP A 24 -2.232 -11.837 -8.695 1.00 0.00 C ATOM 327 OD1 ASP A 24 -1.182 -12.360 -8.356 1.00 0.00 O ATOM 328 OD2 ASP A 24 -2.693 -11.902 -9.821 1.00 0.00 O ATOM 0 H ASP A 24 -3.444 -8.881 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.120 -10.452 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.410 -11.733 -6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.871 -10.559 -8.102 1.00 0.00 H new ATOM 333 N ALA A 25 -1.902 -7.624 -7.412 1.00 0.00 N ATOM 334 CA ALA A 25 -1.733 -6.440 -8.303 1.00 0.00 C ATOM 335 C ALA A 25 -1.122 -5.280 -7.517 1.00 0.00 C ATOM 336 O ALA A 25 -1.795 -4.608 -6.763 1.00 0.00 O ATOM 337 CB ALA A 25 -3.096 -6.016 -8.854 1.00 0.00 C ATOM 0 H ALA A 25 -1.986 -7.415 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.070 -6.705 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.972 -5.151 -9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.531 -6.838 -9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.758 -5.756 -8.028 1.00 0.00 H new ATOM 343 N CYS A 26 0.145 -5.022 -7.698 1.00 0.00 N ATOM 344 CA CYS A 26 0.771 -3.889 -6.965 1.00 0.00 C ATOM 345 C CYS A 26 -0.040 -2.639 -7.263 1.00 0.00 C ATOM 346 O CYS A 26 -0.744 -2.573 -8.248 1.00 0.00 O ATOM 347 CB CYS A 26 2.217 -3.701 -7.432 1.00 0.00 C ATOM 348 SG CYS A 26 3.262 -3.305 -6.006 1.00 0.00 S ATOM 0 H CYS A 26 0.767 -5.542 -8.316 1.00 0.00 H new ATOM 0 HA CYS A 26 0.782 -4.087 -5.893 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.575 -4.608 -7.918 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.271 -2.901 -8.170 1.00 0.00 H new ATOM 353 N LEU A 27 0.021 -1.655 -6.418 1.00 0.00 N ATOM 354 CA LEU A 27 -0.789 -0.435 -6.674 1.00 0.00 C ATOM 355 C LEU A 27 0.022 0.829 -6.397 1.00 0.00 C ATOM 356 O LEU A 27 0.587 1.007 -5.337 1.00 0.00 O ATOM 357 CB LEU A 27 -2.023 -0.464 -5.773 1.00 0.00 C ATOM 358 CG LEU A 27 -2.788 0.856 -5.888 1.00 0.00 C ATOM 359 CD1 LEU A 27 -3.975 0.675 -6.835 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.297 1.264 -4.503 1.00 0.00 C ATOM 0 H LEU A 27 0.589 -1.639 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.087 -0.422 -7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.670 -1.294 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.724 -0.631 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.128 1.631 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.521 1.615 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.613 0.378 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.638 -0.097 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.843 2.204 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.959 0.490 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.451 1.389 -3.827 1.00 0.00 H new ATOM 372 N ILE A 28 0.049 1.721 -7.347 1.00 0.00 N ATOM 373 CA ILE A 28 0.779 3.002 -7.165 1.00 0.00 C ATOM 374 C ILE A 28 -0.209 4.141 -7.412 1.00 0.00 C ATOM 375 O ILE A 28 -0.517 4.474 -8.540 1.00 0.00 O ATOM 376 CB ILE A 28 1.931 3.090 -8.167 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.691 4.402 -7.952 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.375 3.054 -9.591 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.874 4.473 -8.919 1.00 0.00 C ATOM 0 H ILE A 28 -0.410 1.614 -8.252 1.00 0.00 H new ATOM 0 HA ILE A 28 1.191 3.066 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 28 2.606 2.247 -8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.025 5.250 -8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.045 4.465 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.197 3.117 -10.304 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.831 2.122 -9.746 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.700 3.897 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.414 5.407 -8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.544 3.632 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.508 4.430 -9.945 1.00 0.00 H new ATOM 391 N THR A 29 -0.732 4.722 -6.368 1.00 0.00 N ATOM 392 CA THR A 29 -1.720 5.818 -6.550 1.00 0.00 C ATOM 393 C THR A 29 -1.099 7.157 -6.149 1.00 0.00 C ATOM 394 O THR A 29 -0.727 7.367 -5.011 1.00 0.00 O ATOM 395 CB THR A 29 -2.948 5.536 -5.680 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.701 4.476 -6.255 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.818 6.789 -5.592 1.00 0.00 C ATOM 0 H THR A 29 -0.518 4.485 -5.399 1.00 0.00 H new ATOM 0 HA THR A 29 -2.015 5.868 -7.598 1.00 0.00 H new ATOM 0 HB THR A 29 -2.623 5.253 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.651 4.600 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.691 6.583 -4.972 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.242 7.602 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.143 7.077 -6.592 1.00 0.00 H new ATOM 405 N LYS A 30 -0.997 8.071 -7.075 1.00 0.00 N ATOM 406 CA LYS A 30 -0.413 9.403 -6.754 1.00 0.00 C ATOM 407 C LYS A 30 -1.523 10.455 -6.786 1.00 0.00 C ATOM 408 O LYS A 30 -2.244 10.579 -7.757 1.00 0.00 O ATOM 409 CB LYS A 30 0.658 9.756 -7.788 1.00 0.00 C ATOM 410 CG LYS A 30 1.691 10.690 -7.156 1.00 0.00 C ATOM 411 CD LYS A 30 2.570 11.294 -8.252 1.00 0.00 C ATOM 412 CE LYS A 30 2.278 12.791 -8.377 1.00 0.00 C ATOM 413 NZ LYS A 30 2.629 13.252 -9.750 1.00 0.00 N ATOM 0 H LYS A 30 -1.294 7.951 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 30 0.041 9.377 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.144 8.849 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.199 10.236 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.189 11.482 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.306 10.141 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.622 11.137 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.378 10.795 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.225 12.985 -8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.853 13.348 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.431 14.269 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.639 13.080 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.062 12.729 -10.447 1.00 0.00 H new ATOM 427 N ALA A 31 -1.674 11.211 -5.733 1.00 0.00 N ATOM 428 CA ALA A 31 -2.745 12.247 -5.710 1.00 0.00 C ATOM 429 C ALA A 31 -2.121 13.637 -5.848 1.00 0.00 C ATOM 430 O ALA A 31 -2.443 14.548 -5.111 1.00 0.00 O ATOM 431 CB ALA A 31 -3.509 12.160 -4.388 1.00 0.00 C ATOM 0 H ALA A 31 -1.103 11.156 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.431 12.076 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.293 12.917 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.958 11.171 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.822 12.329 -3.559 1.00 0.00 H new ATOM 437 N GLY A 32 -1.232 13.808 -6.787 1.00 0.00 N ATOM 438 CA GLY A 32 -0.591 15.141 -6.972 1.00 0.00 C ATOM 439 C GLY A 32 -0.176 15.703 -5.611 1.00 0.00 C ATOM 440 O GLY A 32 -0.355 16.871 -5.330 1.00 0.00 O ATOM 0 H GLY A 32 -0.922 13.083 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.280 15.050 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.284 15.824 -7.463 1.00 0.00 H new ATOM 444 N LEU A 33 0.378 14.880 -4.763 1.00 0.00 N ATOM 445 CA LEU A 33 0.805 15.368 -3.420 1.00 0.00 C ATOM 446 C LEU A 33 1.600 14.273 -2.708 1.00 0.00 C ATOM 447 O LEU A 33 2.572 14.540 -2.030 1.00 0.00 O ATOM 448 CB LEU A 33 -0.429 15.723 -2.588 1.00 0.00 C ATOM 449 CG LEU A 33 -0.019 16.649 -1.441 1.00 0.00 C ATOM 450 CD1 LEU A 33 0.002 18.096 -1.935 1.00 0.00 C ATOM 451 CD2 LEU A 33 -1.024 16.516 -0.295 1.00 0.00 C ATOM 0 H LEU A 33 0.554 13.891 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 33 1.430 16.253 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.176 16.211 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.888 14.817 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 33 0.974 16.372 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.294 18.755 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.718 18.191 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.991 18.374 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.733 17.175 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.017 16.793 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.039 15.485 0.058 1.00 0.00 H new ATOM 463 N GLN A 34 1.197 13.040 -2.859 1.00 0.00 N ATOM 464 CA GLN A 34 1.931 11.929 -2.191 1.00 0.00 C ATOM 465 C GLN A 34 1.606 10.609 -2.891 1.00 0.00 C ATOM 466 O GLN A 34 0.459 10.274 -3.106 1.00 0.00 O ATOM 467 CB GLN A 34 1.512 11.843 -0.721 1.00 0.00 C ATOM 468 CG GLN A 34 0.017 12.140 -0.589 1.00 0.00 C ATOM 469 CD GLN A 34 -0.179 13.399 0.259 1.00 0.00 C ATOM 470 OE1 GLN A 34 0.728 14.192 0.407 1.00 0.00 O ATOM 471 NE2 GLN A 34 -1.333 13.615 0.829 1.00 0.00 N ATOM 0 H GLN A 34 0.391 12.755 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 34 3.003 12.119 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.731 10.850 -0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.087 12.554 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.425 12.280 -1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.494 11.295 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.096 12.949 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.472 14.450 1.398 1.00 0.00 H new ATOM 480 N VAL A 35 2.610 9.853 -3.247 1.00 0.00 N ATOM 481 CA VAL A 35 2.359 8.554 -3.933 1.00 0.00 C ATOM 482 C VAL A 35 1.750 7.565 -2.936 1.00 0.00 C ATOM 483 O VAL A 35 1.796 7.766 -1.739 1.00 0.00 O ATOM 484 CB VAL A 35 3.678 7.995 -4.468 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.422 6.654 -5.160 1.00 0.00 C ATOM 486 CG2 VAL A 35 4.277 8.979 -5.476 1.00 0.00 C ATOM 0 H VAL A 35 3.592 10.079 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 35 1.669 8.707 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 35 4.373 7.851 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.362 6.256 -5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.994 5.951 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.727 6.798 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.217 8.581 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.581 9.122 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.460 9.935 -4.986 1.00 0.00 H new ATOM 496 N TYR A 36 1.176 6.498 -3.421 1.00 0.00 N ATOM 497 CA TYR A 36 0.562 5.500 -2.499 1.00 0.00 C ATOM 498 C TYR A 36 1.040 4.096 -2.873 1.00 0.00 C ATOM 499 O TYR A 36 0.398 3.389 -3.625 1.00 0.00 O ATOM 500 CB TYR A 36 -0.962 5.566 -2.617 1.00 0.00 C ATOM 501 CG TYR A 36 -1.504 6.567 -1.624 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.216 6.429 -0.261 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.296 7.633 -2.068 1.00 0.00 C ATOM 504 CE1 TYR A 36 -1.720 7.356 0.658 1.00 0.00 C ATOM 505 CE2 TYR A 36 -2.801 8.559 -1.149 1.00 0.00 C ATOM 506 CZ TYR A 36 -2.513 8.422 0.213 1.00 0.00 C ATOM 507 OH TYR A 36 -3.010 9.337 1.119 1.00 0.00 O ATOM 0 H TYR A 36 1.106 6.274 -4.414 1.00 0.00 H new ATOM 0 HA TYR A 36 0.858 5.724 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.246 5.852 -3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.394 4.583 -2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.605 5.607 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.517 7.740 -3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.498 7.250 1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.414 9.380 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.539 10.013 0.645 1.00 0.00 H new ATOM 517 N ASN A 37 2.161 3.686 -2.350 1.00 0.00 N ATOM 518 CA ASN A 37 2.680 2.326 -2.669 1.00 0.00 C ATOM 519 C ASN A 37 2.012 1.302 -1.750 1.00 0.00 C ATOM 520 O ASN A 37 2.259 1.269 -0.561 1.00 0.00 O ATOM 521 CB ASN A 37 4.195 2.295 -2.453 1.00 0.00 C ATOM 522 CG ASN A 37 4.844 3.449 -3.219 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.251 4.497 -3.376 1.00 0.00 O ATOM 524 ND2 ASN A 37 6.044 3.298 -3.710 1.00 0.00 N ATOM 0 H ASN A 37 2.741 4.234 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 37 2.457 2.084 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.423 2.376 -1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.602 1.343 -2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.484 4.060 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.542 2.418 -3.578 1.00 0.00 H new ATOM 531 N LYS A 38 1.162 0.470 -2.288 1.00 0.00 N ATOM 532 CA LYS A 38 0.479 -0.544 -1.438 1.00 0.00 C ATOM 533 C LYS A 38 -0.001 -1.709 -2.305 1.00 0.00 C ATOM 534 O LYS A 38 -0.268 -1.555 -3.480 1.00 0.00 O ATOM 535 CB LYS A 38 -0.722 0.102 -0.744 1.00 0.00 C ATOM 536 CG LYS A 38 -0.929 -0.544 0.626 1.00 0.00 C ATOM 537 CD LYS A 38 -2.377 -0.339 1.074 1.00 0.00 C ATOM 538 CE LYS A 38 -2.561 1.100 1.558 1.00 0.00 C ATOM 539 NZ LYS A 38 -3.735 1.170 2.471 1.00 0.00 N ATOM 0 H LYS A 38 0.912 0.449 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 38 1.179 -0.917 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.557 1.174 -0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.617 -0.020 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.700 -1.609 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.247 -0.105 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.057 -0.546 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.624 -1.037 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.663 1.438 2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.708 1.765 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.861 2.148 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.589 0.864 1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.577 0.547 3.289 1.00 0.00 H new ATOM 553 N CYS A 39 -0.116 -2.873 -1.728 1.00 0.00 N ATOM 554 CA CYS A 39 -0.584 -4.052 -2.509 1.00 0.00 C ATOM 555 C CYS A 39 -2.081 -3.910 -2.780 1.00 0.00 C ATOM 556 O CYS A 39 -2.842 -3.527 -1.915 1.00 0.00 O ATOM 557 CB CYS A 39 -0.326 -5.330 -1.708 1.00 0.00 C ATOM 558 SG CYS A 39 1.452 -5.519 -1.433 1.00 0.00 S ATOM 0 H CYS A 39 0.094 -3.059 -0.747 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.044 -4.105 -3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.850 -5.286 -0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.716 -6.194 -2.246 1.00 0.00 H new ATOM 563 N TRP A 40 -2.510 -4.203 -3.976 1.00 0.00 N ATOM 564 CA TRP A 40 -3.953 -4.069 -4.298 1.00 0.00 C ATOM 565 C TRP A 40 -4.371 -5.191 -5.256 1.00 0.00 C ATOM 566 O TRP A 40 -3.544 -5.837 -5.872 1.00 0.00 O ATOM 567 CB TRP A 40 -4.173 -2.708 -4.960 1.00 0.00 C ATOM 568 CG TRP A 40 -5.540 -2.207 -4.645 1.00 0.00 C ATOM 569 CD1 TRP A 40 -6.671 -2.649 -5.225 1.00 0.00 C ATOM 570 CD2 TRP A 40 -5.935 -1.178 -3.695 1.00 0.00 C ATOM 571 NE1 TRP A 40 -7.747 -1.957 -4.692 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.341 -1.038 -3.742 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.216 -0.362 -2.805 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.012 -0.117 -2.934 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -5.886 0.564 -1.989 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.281 0.686 -2.054 1.00 0.00 C ATOM 0 H TRP A 40 -1.922 -4.529 -4.743 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.553 -4.142 -3.391 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.425 -1.997 -4.608 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.047 -2.794 -6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.730 -3.417 -5.982 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -8.718 -2.107 -4.966 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.141 -0.448 -2.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.087 -0.026 -2.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.324 1.185 -1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -7.791 1.400 -1.424 1.00 0.00 H new ATOM 587 N LYS A 41 -5.648 -5.430 -5.383 1.00 0.00 N ATOM 588 CA LYS A 41 -6.118 -6.508 -6.298 1.00 0.00 C ATOM 589 C LYS A 41 -6.388 -5.919 -7.684 1.00 0.00 C ATOM 590 O LYS A 41 -6.524 -4.722 -7.844 1.00 0.00 O ATOM 591 CB LYS A 41 -7.410 -7.115 -5.747 1.00 0.00 C ATOM 592 CG LYS A 41 -7.153 -7.691 -4.354 1.00 0.00 C ATOM 593 CD LYS A 41 -8.311 -8.611 -3.966 1.00 0.00 C ATOM 594 CE LYS A 41 -7.817 -10.058 -3.910 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.874 -10.966 -4.436 1.00 0.00 N ATOM 0 H LYS A 41 -6.386 -4.925 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.352 -7.280 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.189 -6.354 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.769 -7.898 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.214 -8.245 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.055 -6.885 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.715 -8.316 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.120 -8.520 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.905 -10.165 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.568 -10.329 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.538 -11.949 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.733 -10.871 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.091 -10.712 -5.421 1.00 0.00 H new ATOM 609 N PHE A 42 -6.477 -6.751 -8.687 1.00 0.00 N ATOM 610 CA PHE A 42 -6.749 -6.238 -10.057 1.00 0.00 C ATOM 611 C PHE A 42 -8.246 -5.969 -10.196 1.00 0.00 C ATOM 612 O PHE A 42 -8.674 -5.167 -11.002 1.00 0.00 O ATOM 613 CB PHE A 42 -6.319 -7.282 -11.090 1.00 0.00 C ATOM 614 CG PHE A 42 -6.197 -6.630 -12.447 1.00 0.00 C ATOM 615 CD1 PHE A 42 -7.330 -6.483 -13.257 1.00 0.00 C ATOM 616 CD2 PHE A 42 -4.952 -6.174 -12.895 1.00 0.00 C ATOM 617 CE1 PHE A 42 -7.216 -5.881 -14.516 1.00 0.00 C ATOM 618 CE2 PHE A 42 -4.839 -5.570 -14.154 1.00 0.00 C ATOM 619 CZ PHE A 42 -5.971 -5.423 -14.964 1.00 0.00 C ATOM 0 H PHE A 42 -6.373 -7.763 -8.615 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.190 -5.317 -10.224 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.366 -7.724 -10.800 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.047 -8.092 -11.128 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.291 -6.834 -12.911 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.078 -6.288 -12.270 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.089 -5.770 -15.142 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.878 -5.218 -14.500 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.884 -4.956 -15.934 1.00 0.00 H new ATOM 629 N GLU A 43 -9.047 -6.635 -9.410 1.00 0.00 N ATOM 630 CA GLU A 43 -10.516 -6.420 -9.490 1.00 0.00 C ATOM 631 C GLU A 43 -10.880 -5.133 -8.746 1.00 0.00 C ATOM 632 O GLU A 43 -11.772 -4.409 -9.140 1.00 0.00 O ATOM 633 CB GLU A 43 -11.245 -7.608 -8.856 1.00 0.00 C ATOM 634 CG GLU A 43 -12.736 -7.531 -9.189 1.00 0.00 C ATOM 635 CD GLU A 43 -12.929 -7.658 -10.701 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.502 -8.660 -11.250 1.00 0.00 O ATOM 637 OE2 GLU A 43 -13.501 -6.751 -11.285 1.00 0.00 O ATOM 0 H GLU A 43 -8.745 -7.319 -8.716 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.816 -6.333 -10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.827 -8.544 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.102 -7.601 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.276 -8.326 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.150 -6.586 -8.837 1.00 0.00 H new ATOM 644 N HIS A 44 -10.191 -4.841 -7.677 1.00 0.00 N ATOM 645 CA HIS A 44 -10.492 -3.598 -6.914 1.00 0.00 C ATOM 646 C HIS A 44 -9.621 -2.458 -7.447 1.00 0.00 C ATOM 647 O HIS A 44 -9.522 -1.406 -6.849 1.00 0.00 O ATOM 648 CB HIS A 44 -10.193 -3.820 -5.430 1.00 0.00 C ATOM 649 CG HIS A 44 -11.097 -4.894 -4.891 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.171 -5.187 -3.537 1.00 0.00 N ATOM 651 CD2 HIS A 44 -11.973 -5.751 -5.509 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.064 -6.182 -3.387 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.583 -6.565 -4.557 1.00 0.00 N ATOM 0 H HIS A 44 -9.433 -5.410 -7.299 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.545 -3.342 -7.033 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.150 -4.107 -5.297 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.341 -2.893 -4.876 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.161 -5.789 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.329 -6.619 -2.435 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.276 -7.296 -4.718 1.00 0.00 H new ATOM 661 N CYS A 45 -8.988 -2.661 -8.571 1.00 0.00 N ATOM 662 CA CYS A 45 -8.124 -1.591 -9.145 1.00 0.00 C ATOM 663 C CYS A 45 -8.898 -0.840 -10.230 1.00 0.00 C ATOM 664 O CYS A 45 -8.568 -0.902 -11.398 1.00 0.00 O ATOM 665 CB CYS A 45 -6.870 -2.221 -9.757 1.00 0.00 C ATOM 666 SG CYS A 45 -5.438 -1.166 -9.419 1.00 0.00 S ATOM 0 H CYS A 45 -9.032 -3.522 -9.116 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.834 -0.896 -8.357 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.709 -3.215 -9.340 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.999 -2.343 -10.832 1.00 0.00 H new ATOM 671 N ASN A 46 -9.928 -0.131 -9.854 1.00 0.00 N ATOM 672 CA ASN A 46 -10.722 0.622 -10.865 1.00 0.00 C ATOM 673 C ASN A 46 -10.971 2.045 -10.363 1.00 0.00 C ATOM 674 O ASN A 46 -10.456 2.453 -9.341 1.00 0.00 O ATOM 675 CB ASN A 46 -12.064 -0.079 -11.091 1.00 0.00 C ATOM 676 CG ASN A 46 -12.516 -0.753 -9.794 1.00 0.00 C ATOM 677 OD1 ASN A 46 -13.299 -0.199 -9.048 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.051 -1.934 -9.491 1.00 0.00 N ATOM 0 H ASN A 46 -10.253 -0.041 -8.891 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.169 0.658 -11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.812 0.643 -11.417 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.969 -0.821 -11.884 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.345 -2.392 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.394 -2.399 -10.117 1.00 0.00 H new ATOM 685 N PHE A 47 -11.758 2.802 -11.076 1.00 0.00 N ATOM 686 CA PHE A 47 -12.043 4.199 -10.644 1.00 0.00 C ATOM 687 C PHE A 47 -13.248 4.200 -9.700 1.00 0.00 C ATOM 688 O PHE A 47 -14.242 4.854 -9.948 1.00 0.00 O ATOM 689 CB PHE A 47 -12.353 5.057 -11.873 1.00 0.00 C ATOM 690 CG PHE A 47 -11.799 6.446 -11.670 1.00 0.00 C ATOM 691 CD1 PHE A 47 -12.526 7.388 -10.934 1.00 0.00 C ATOM 692 CD2 PHE A 47 -10.558 6.792 -12.218 1.00 0.00 C ATOM 693 CE1 PHE A 47 -12.013 8.677 -10.745 1.00 0.00 C ATOM 694 CE2 PHE A 47 -10.045 8.080 -12.029 1.00 0.00 C ATOM 695 CZ PHE A 47 -10.772 9.022 -11.293 1.00 0.00 C ATOM 0 H PHE A 47 -12.217 2.513 -11.940 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.175 4.608 -10.126 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.916 4.606 -12.764 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.430 5.104 -12.035 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.483 7.121 -10.511 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.997 6.065 -12.786 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.574 9.404 -10.177 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.088 8.347 -12.451 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.375 10.016 -11.148 1.00 0.00 H new ATOM 705 N ASN A 48 -13.167 3.471 -8.620 1.00 0.00 N ATOM 706 CA ASN A 48 -14.307 3.429 -7.661 1.00 0.00 C ATOM 707 C ASN A 48 -13.938 2.546 -6.468 1.00 0.00 C ATOM 708 O ASN A 48 -14.353 2.789 -5.352 1.00 0.00 O ATOM 709 CB ASN A 48 -15.540 2.852 -8.359 1.00 0.00 C ATOM 710 CG ASN A 48 -16.690 2.739 -7.357 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.561 1.904 -7.506 1.00 0.00 O ATOM 712 ND2 ASN A 48 -16.731 3.548 -6.335 1.00 0.00 N ATOM 0 H ASN A 48 -12.361 2.903 -8.361 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.525 4.438 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.832 3.492 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.309 1.871 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.494 3.480 -5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.000 4.249 -6.210 1.00 0.00 H new ATOM 719 N ASP A 49 -13.161 1.522 -6.693 1.00 0.00 N ATOM 720 CA ASP A 49 -12.768 0.626 -5.570 1.00 0.00 C ATOM 721 C ASP A 49 -11.625 1.267 -4.780 1.00 0.00 C ATOM 722 O ASP A 49 -11.604 1.239 -3.565 1.00 0.00 O ATOM 723 CB ASP A 49 -12.307 -0.722 -6.130 1.00 0.00 C ATOM 724 CG ASP A 49 -13.528 -1.600 -6.413 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.482 -1.090 -6.976 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.486 -2.768 -6.062 1.00 0.00 O ATOM 0 H ASP A 49 -12.782 1.268 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.623 0.473 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.734 -0.571 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.647 -1.217 -5.418 1.00 0.00 H new ATOM 731 N VAL A 50 -10.673 1.846 -5.461 1.00 0.00 N ATOM 732 CA VAL A 50 -9.532 2.487 -4.749 1.00 0.00 C ATOM 733 C VAL A 50 -9.926 3.898 -4.310 1.00 0.00 C ATOM 734 O VAL A 50 -9.597 4.336 -3.226 1.00 0.00 O ATOM 735 CB VAL A 50 -8.327 2.567 -5.689 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.142 3.187 -4.947 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.953 1.158 -6.158 1.00 0.00 C ATOM 0 H VAL A 50 -10.637 1.902 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.275 1.893 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.579 3.184 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.283 3.244 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.407 4.189 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.890 2.570 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.095 1.213 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.701 0.542 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.797 0.714 -6.686 1.00 0.00 H new ATOM 747 N THR A 51 -10.627 4.616 -5.145 1.00 0.00 N ATOM 748 CA THR A 51 -11.039 6.001 -4.772 1.00 0.00 C ATOM 749 C THR A 51 -11.939 5.952 -3.535 1.00 0.00 C ATOM 750 O THR A 51 -12.211 6.961 -2.916 1.00 0.00 O ATOM 751 CB THR A 51 -11.802 6.647 -5.934 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.080 5.670 -6.928 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.954 7.766 -6.542 1.00 0.00 C ATOM 0 H THR A 51 -10.932 4.305 -6.067 1.00 0.00 H new ATOM 0 HA THR A 51 -10.150 6.592 -4.553 1.00 0.00 H new ATOM 0 HB THR A 51 -12.740 7.060 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.298 5.563 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.496 8.226 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.746 8.519 -5.782 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.015 7.352 -6.910 1.00 0.00 H new ATOM 761 N THR A 52 -12.405 4.789 -3.170 1.00 0.00 N ATOM 762 CA THR A 52 -13.286 4.681 -1.975 1.00 0.00 C ATOM 763 C THR A 52 -12.486 4.121 -0.798 1.00 0.00 C ATOM 764 O THR A 52 -12.600 4.586 0.319 1.00 0.00 O ATOM 765 CB THR A 52 -14.447 3.740 -2.286 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.295 4.340 -3.255 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.239 3.467 -1.010 1.00 0.00 C ATOM 0 H THR A 52 -12.213 3.909 -3.649 1.00 0.00 H new ATOM 0 HA THR A 52 -13.670 5.668 -1.718 1.00 0.00 H new ATOM 0 HB THR A 52 -14.059 2.800 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.143 3.920 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.068 2.795 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.587 3.005 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.629 4.406 -0.616 1.00 0.00 H new ATOM 775 N ARG A 53 -11.675 3.124 -1.035 1.00 0.00 N ATOM 776 CA ARG A 53 -10.871 2.544 0.072 1.00 0.00 C ATOM 777 C ARG A 53 -10.003 3.642 0.681 1.00 0.00 C ATOM 778 O ARG A 53 -9.838 3.727 1.882 1.00 0.00 O ATOM 779 CB ARG A 53 -9.980 1.432 -0.476 1.00 0.00 C ATOM 780 CG ARG A 53 -10.616 0.076 -0.173 1.00 0.00 C ATOM 781 CD ARG A 53 -11.731 -0.206 -1.181 1.00 0.00 C ATOM 782 NE ARG A 53 -12.442 -1.460 -0.798 1.00 0.00 N ATOM 783 CZ ARG A 53 -13.393 -1.424 0.096 1.00 0.00 C ATOM 784 NH1 ARG A 53 -14.370 -0.568 -0.026 1.00 0.00 N ATOM 785 NH2 ARG A 53 -13.366 -2.242 1.113 1.00 0.00 N ATOM 0 H ARG A 53 -11.537 2.689 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.532 2.132 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.849 1.552 -1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.989 1.490 -0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.862 -0.709 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.018 0.070 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.432 0.628 -1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.314 -0.303 -2.183 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.185 -2.346 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.391 0.073 -0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.113 -0.539 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.601 -2.910 1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.109 -2.213 1.811 1.00 0.00 H new ATOM 799 N LEU A 54 -9.450 4.488 -0.142 1.00 0.00 N ATOM 800 CA LEU A 54 -8.596 5.585 0.382 1.00 0.00 C ATOM 801 C LEU A 54 -9.485 6.727 0.874 1.00 0.00 C ATOM 802 O LEU A 54 -9.037 7.625 1.560 1.00 0.00 O ATOM 803 CB LEU A 54 -7.682 6.087 -0.734 1.00 0.00 C ATOM 804 CG LEU A 54 -6.857 4.918 -1.266 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.124 5.342 -2.539 1.00 0.00 C ATOM 806 CD2 LEU A 54 -5.839 4.493 -0.206 1.00 0.00 C ATOM 0 H LEU A 54 -9.554 4.466 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.989 5.218 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.275 6.526 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.025 6.871 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.518 4.082 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.536 4.505 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.850 5.644 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.462 6.179 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.248 3.658 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.180 5.331 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.363 4.187 0.700 1.00 0.00 H new ATOM 818 N ARG A 55 -10.743 6.700 0.527 1.00 0.00 N ATOM 819 CA ARG A 55 -11.662 7.783 0.973 1.00 0.00 C ATOM 820 C ARG A 55 -11.301 9.083 0.254 1.00 0.00 C ATOM 821 O ARG A 55 -11.410 10.161 0.804 1.00 0.00 O ATOM 822 CB ARG A 55 -11.530 7.980 2.486 1.00 0.00 C ATOM 823 CG ARG A 55 -11.561 6.620 3.185 1.00 0.00 C ATOM 824 CD ARG A 55 -12.327 6.740 4.503 1.00 0.00 C ATOM 825 NE ARG A 55 -13.562 5.907 4.439 1.00 0.00 N ATOM 826 CZ ARG A 55 -14.726 6.446 4.679 1.00 0.00 C ATOM 827 NH1 ARG A 55 -14.820 7.467 5.486 1.00 0.00 N ATOM 828 NH2 ARG A 55 -15.798 5.964 4.111 1.00 0.00 N ATOM 0 H ARG A 55 -11.173 5.974 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.689 7.508 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.598 8.497 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.342 8.608 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.037 5.880 2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.545 6.273 3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.699 6.414 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.588 7.782 4.691 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.497 4.916 4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.983 7.845 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.730 7.887 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.726 5.166 3.480 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.708 6.385 4.299 1.00 0.00 H new ATOM 842 N GLU A 56 -10.873 8.991 -0.975 1.00 0.00 N ATOM 843 CA GLU A 56 -10.507 10.220 -1.735 1.00 0.00 C ATOM 844 C GLU A 56 -11.156 10.172 -3.120 1.00 0.00 C ATOM 845 O GLU A 56 -11.977 9.323 -3.403 1.00 0.00 O ATOM 846 CB GLU A 56 -8.984 10.293 -1.886 1.00 0.00 C ATOM 847 CG GLU A 56 -8.399 11.154 -0.765 1.00 0.00 C ATOM 848 CD GLU A 56 -7.811 10.251 0.320 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.624 9.076 0.049 1.00 0.00 O ATOM 850 OE2 GLU A 56 -7.557 10.749 1.405 1.00 0.00 O ATOM 0 H GLU A 56 -10.761 8.116 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.860 11.100 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.556 9.291 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.724 10.716 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.626 11.812 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.174 11.793 -0.341 1.00 0.00 H new ATOM 857 N ASN A 57 -10.793 11.077 -3.987 1.00 0.00 N ATOM 858 CA ASN A 57 -11.389 11.081 -5.354 1.00 0.00 C ATOM 859 C ASN A 57 -10.308 11.423 -6.381 1.00 0.00 C ATOM 860 O ASN A 57 -10.031 10.659 -7.284 1.00 0.00 O ATOM 861 CB ASN A 57 -12.505 12.128 -5.422 1.00 0.00 C ATOM 862 CG ASN A 57 -13.539 11.706 -6.467 1.00 0.00 C ATOM 863 OD1 ASN A 57 -13.930 12.494 -7.305 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.003 10.486 -6.453 1.00 0.00 N ATOM 0 H ASN A 57 -10.110 11.813 -3.809 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.801 10.096 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.980 12.232 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.089 13.102 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.693 10.195 -7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.675 9.824 -5.750 1.00 0.00 H new ATOM 871 N GLU A 58 -9.693 12.566 -6.249 1.00 0.00 N ATOM 872 CA GLU A 58 -8.630 12.958 -7.216 1.00 0.00 C ATOM 873 C GLU A 58 -7.366 12.139 -6.946 1.00 0.00 C ATOM 874 O GLU A 58 -6.637 12.397 -6.009 1.00 0.00 O ATOM 875 CB GLU A 58 -8.318 14.448 -7.052 1.00 0.00 C ATOM 876 CG GLU A 58 -9.034 15.243 -8.145 1.00 0.00 C ATOM 877 CD GLU A 58 -8.362 16.608 -8.308 1.00 0.00 C ATOM 878 OE1 GLU A 58 -7.274 16.777 -7.785 1.00 0.00 O ATOM 879 OE2 GLU A 58 -8.949 17.461 -8.953 1.00 0.00 O ATOM 0 H GLU A 58 -9.881 13.246 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.975 12.768 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.639 14.791 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.242 14.614 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.003 14.696 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.085 15.372 -7.886 1.00 0.00 H new ATOM 886 N LEU A 59 -7.100 11.154 -7.760 1.00 0.00 N ATOM 887 CA LEU A 59 -5.881 10.322 -7.547 1.00 0.00 C ATOM 888 C LEU A 59 -5.754 9.298 -8.678 1.00 0.00 C ATOM 889 O LEU A 59 -6.669 8.549 -8.957 1.00 0.00 O ATOM 890 CB LEU A 59 -5.992 9.591 -6.207 1.00 0.00 C ATOM 891 CG LEU A 59 -7.368 8.935 -6.094 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.292 7.494 -6.604 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.814 8.934 -4.631 1.00 0.00 C ATOM 0 H LEU A 59 -7.672 10.890 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.000 10.964 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.210 8.836 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.843 10.292 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.086 9.495 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.274 7.027 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.975 7.493 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.573 6.934 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.795 8.466 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.095 8.375 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.870 9.960 -4.267 1.00 0.00 H new ATOM 905 N THR A 60 -4.622 9.256 -9.328 1.00 0.00 N ATOM 906 CA THR A 60 -4.432 8.275 -10.436 1.00 0.00 C ATOM 907 C THR A 60 -3.940 6.951 -9.853 1.00 0.00 C ATOM 908 O THR A 60 -2.997 6.914 -9.090 1.00 0.00 O ATOM 909 CB THR A 60 -3.393 8.814 -11.423 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.723 9.924 -10.844 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.088 9.250 -12.714 1.00 0.00 C ATOM 0 H THR A 60 -3.821 9.858 -9.140 1.00 0.00 H new ATOM 0 HA THR A 60 -5.378 8.120 -10.955 1.00 0.00 H new ATOM 0 HB THR A 60 -2.669 8.032 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.442 10.541 -11.551 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.346 9.633 -13.415 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.600 8.396 -13.158 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.814 10.032 -12.490 1.00 0.00 H new ATOM 919 N TYR A 61 -4.572 5.862 -10.197 1.00 0.00 N ATOM 920 CA TYR A 61 -4.138 4.545 -9.649 1.00 0.00 C ATOM 921 C TYR A 61 -3.610 3.658 -10.781 1.00 0.00 C ATOM 922 O TYR A 61 -4.214 3.549 -11.829 1.00 0.00 O ATOM 923 CB TYR A 61 -5.331 3.856 -8.982 1.00 0.00 C ATOM 924 CG TYR A 61 -6.302 3.401 -10.046 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.208 4.311 -10.601 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.291 2.069 -10.480 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.105 3.890 -11.590 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.187 1.649 -11.469 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.094 2.559 -12.024 1.00 0.00 C ATOM 930 OH TYR A 61 -8.977 2.144 -13.001 1.00 0.00 O ATOM 0 H TYR A 61 -5.369 5.827 -10.833 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.346 4.704 -8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.991 3.003 -8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.824 4.542 -8.293 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.215 5.338 -10.267 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.591 1.367 -10.051 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.805 4.592 -12.018 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.179 0.622 -11.804 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.688 1.278 -13.357 1.00 0.00 H new ATOM 940 N TYR A 62 -2.492 3.016 -10.574 1.00 0.00 N ATOM 941 CA TYR A 62 -1.936 2.131 -11.637 1.00 0.00 C ATOM 942 C TYR A 62 -1.544 0.783 -11.025 1.00 0.00 C ATOM 943 O TYR A 62 -0.642 0.699 -10.215 1.00 0.00 O ATOM 944 CB TYR A 62 -0.702 2.789 -12.259 1.00 0.00 C ATOM 945 CG TYR A 62 -0.262 1.994 -13.465 1.00 0.00 C ATOM 946 CD1 TYR A 62 0.637 0.931 -13.313 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.752 2.320 -14.735 1.00 0.00 C ATOM 948 CE1 TYR A 62 1.045 0.194 -14.431 1.00 0.00 C ATOM 949 CE2 TYR A 62 -0.345 1.583 -15.853 1.00 0.00 C ATOM 950 CZ TYR A 62 0.554 0.520 -15.701 1.00 0.00 C ATOM 951 OH TYR A 62 0.957 -0.206 -16.803 1.00 0.00 O ATOM 0 H TYR A 62 -1.941 3.066 -9.717 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.689 1.974 -12.409 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.931 3.814 -12.550 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.105 2.838 -11.528 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.016 0.680 -12.333 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.444 3.141 -14.852 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.738 -0.626 -14.314 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.724 1.834 -16.833 1.00 0.00 H new ATOM 0 HH TYR A 62 0.522 0.150 -17.606 1.00 0.00 H new ATOM 961 N CYS A 63 -2.214 -0.272 -11.405 1.00 0.00 N ATOM 962 CA CYS A 63 -1.879 -1.610 -10.842 1.00 0.00 C ATOM 963 C CYS A 63 -0.784 -2.262 -11.689 1.00 0.00 C ATOM 964 O CYS A 63 -0.622 -1.957 -12.854 1.00 0.00 O ATOM 965 CB CYS A 63 -3.126 -2.496 -10.851 1.00 0.00 C ATOM 966 SG CYS A 63 -3.903 -2.464 -9.216 1.00 0.00 S ATOM 0 H CYS A 63 -2.978 -0.264 -12.081 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.525 -1.493 -9.818 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.829 -2.145 -11.606 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.857 -3.518 -11.117 1.00 0.00 H new ATOM 971 N CYS A 64 -0.029 -3.156 -11.110 1.00 0.00 N ATOM 972 CA CYS A 64 1.057 -3.826 -11.881 1.00 0.00 C ATOM 973 C CYS A 64 1.109 -5.309 -11.511 1.00 0.00 C ATOM 974 O CYS A 64 0.671 -5.711 -10.451 1.00 0.00 O ATOM 975 CB CYS A 64 2.398 -3.170 -11.546 1.00 0.00 C ATOM 976 SG CYS A 64 3.300 -2.820 -13.076 1.00 0.00 S ATOM 0 H CYS A 64 -0.117 -3.451 -10.138 1.00 0.00 H new ATOM 0 HA CYS A 64 0.858 -3.726 -12.948 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.234 -2.247 -10.989 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.987 -3.828 -10.907 1.00 0.00 H new ATOM 981 N LYS A 65 1.642 -6.127 -12.377 1.00 0.00 N ATOM 982 CA LYS A 65 1.722 -7.584 -12.075 1.00 0.00 C ATOM 983 C LYS A 65 3.188 -8.021 -12.072 1.00 0.00 C ATOM 984 O LYS A 65 3.509 -9.149 -12.387 1.00 0.00 O ATOM 985 CB LYS A 65 0.962 -8.370 -13.145 1.00 0.00 C ATOM 986 CG LYS A 65 -0.539 -8.303 -12.863 1.00 0.00 C ATOM 987 CD LYS A 65 -1.310 -8.530 -14.165 1.00 0.00 C ATOM 988 CE LYS A 65 -2.812 -8.398 -13.901 1.00 0.00 C ATOM 989 NZ LYS A 65 -3.444 -9.747 -13.948 1.00 0.00 N ATOM 0 H LYS A 65 2.025 -5.849 -13.280 1.00 0.00 H new ATOM 0 HA LYS A 65 1.279 -7.778 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.175 -7.960 -14.132 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.295 -9.408 -13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.816 -9.058 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.798 -7.333 -12.438 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.997 -7.805 -14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.086 -9.519 -14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.982 -7.938 -12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.267 -7.745 -14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.465 -9.659 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.293 -10.169 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.016 -10.356 -13.222 1.00 0.00 H new ATOM 1003 N LYS A 66 4.081 -7.137 -11.724 1.00 0.00 N ATOM 1004 CA LYS A 66 5.526 -7.505 -11.708 1.00 0.00 C ATOM 1005 C LYS A 66 6.071 -7.385 -10.284 1.00 0.00 C ATOM 1006 O LYS A 66 5.452 -6.798 -9.418 1.00 0.00 O ATOM 1007 CB LYS A 66 6.300 -6.564 -12.631 1.00 0.00 C ATOM 1008 CG LYS A 66 5.688 -6.608 -14.033 1.00 0.00 C ATOM 1009 CD LYS A 66 6.607 -5.876 -15.013 1.00 0.00 C ATOM 1010 CE LYS A 66 6.791 -6.729 -16.270 1.00 0.00 C ATOM 1011 NZ LYS A 66 7.556 -7.961 -15.926 1.00 0.00 N ATOM 0 H LYS A 66 3.874 -6.177 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 66 5.642 -8.532 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.268 -5.547 -12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.349 -6.858 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.551 -7.642 -14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.702 -6.143 -14.026 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.180 -4.908 -15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.573 -5.682 -14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.820 -6.996 -16.687 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.321 -6.160 -17.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.095 -8.278 -16.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.212 -7.756 -15.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.896 -8.710 -15.636 1.00 0.00 H new ATOM 1025 N ASP A 67 7.227 -7.939 -10.035 1.00 0.00 N ATOM 1026 CA ASP A 67 7.813 -7.860 -8.667 1.00 0.00 C ATOM 1027 C ASP A 67 8.367 -6.453 -8.427 1.00 0.00 C ATOM 1028 O ASP A 67 9.347 -6.048 -9.020 1.00 0.00 O ATOM 1029 CB ASP A 67 8.943 -8.884 -8.536 1.00 0.00 C ATOM 1030 CG ASP A 67 10.121 -8.464 -9.419 1.00 0.00 C ATOM 1031 OD1 ASP A 67 9.879 -8.083 -10.552 1.00 0.00 O ATOM 1032 OD2 ASP A 67 11.242 -8.531 -8.946 1.00 0.00 O ATOM 0 H ASP A 67 7.790 -8.443 -10.720 1.00 0.00 H new ATOM 0 HA ASP A 67 7.040 -8.075 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.263 -8.957 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.588 -9.872 -8.831 1.00 0.00 H new ATOM 1037 N LEU A 68 7.743 -5.704 -7.560 1.00 0.00 N ATOM 1038 CA LEU A 68 8.224 -4.327 -7.275 1.00 0.00 C ATOM 1039 C LEU A 68 7.983 -3.439 -8.495 1.00 0.00 C ATOM 1040 O LEU A 68 8.906 -2.946 -9.112 1.00 0.00 O ATOM 1041 CB LEU A 68 9.719 -4.365 -6.951 1.00 0.00 C ATOM 1042 CG LEU A 68 9.987 -5.464 -5.920 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.489 -5.559 -5.653 1.00 0.00 C ATOM 1044 CD2 LEU A 68 9.258 -5.128 -4.617 1.00 0.00 C ATOM 0 H LEU A 68 6.917 -5.990 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 68 7.681 -3.921 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.294 -4.553 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.043 -3.400 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 68 9.626 -6.418 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.679 -6.342 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.009 -5.798 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.851 -4.605 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.448 -5.910 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.619 -4.174 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.187 -5.061 -4.806 1.00 0.00 H new ATOM 1056 N CYS A 69 6.744 -3.231 -8.846 1.00 0.00 N ATOM 1057 CA CYS A 69 6.434 -2.375 -10.025 1.00 0.00 C ATOM 1058 C CYS A 69 6.208 -0.935 -9.560 1.00 0.00 C ATOM 1059 O CYS A 69 6.668 0.007 -10.175 1.00 0.00 O ATOM 1060 CB CYS A 69 5.166 -2.894 -10.705 1.00 0.00 C ATOM 1061 SG CYS A 69 5.185 -2.444 -12.457 1.00 0.00 S ATOM 0 H CYS A 69 5.931 -3.618 -8.366 1.00 0.00 H new ATOM 0 HA CYS A 69 7.266 -2.404 -10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.102 -3.977 -10.599 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.284 -2.474 -10.221 1.00 0.00 H new ATOM 1066 N ASN A 70 5.502 -0.758 -8.476 1.00 0.00 N ATOM 1067 CA ASN A 70 5.244 0.619 -7.969 1.00 0.00 C ATOM 1068 C ASN A 70 6.482 1.129 -7.227 1.00 0.00 C ATOM 1069 O ASN A 70 6.581 1.022 -6.021 1.00 0.00 O ATOM 1070 CB ASN A 70 4.049 0.591 -7.011 1.00 0.00 C ATOM 1071 CG ASN A 70 4.328 -0.394 -5.873 1.00 0.00 C ATOM 1072 OD1 ASN A 70 5.371 -1.016 -5.834 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.433 -0.561 -4.938 1.00 0.00 N ATOM 0 H ASN A 70 5.093 -1.509 -7.920 1.00 0.00 H new ATOM 0 HA ASN A 70 5.025 1.282 -8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.870 1.588 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.147 0.297 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.609 -1.214 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.557 -0.039 -4.971 1.00 0.00 H new ATOM 1080 N PHE A 71 7.427 1.683 -7.938 1.00 0.00 N ATOM 1081 CA PHE A 71 8.656 2.195 -7.270 1.00 0.00 C ATOM 1082 C PHE A 71 8.892 3.652 -7.677 1.00 0.00 C ATOM 1083 O PHE A 71 10.016 4.095 -7.808 1.00 0.00 O ATOM 1084 CB PHE A 71 9.858 1.348 -7.691 1.00 0.00 C ATOM 1085 CG PHE A 71 9.888 1.225 -9.196 1.00 0.00 C ATOM 1086 CD1 PHE A 71 9.213 0.173 -9.826 1.00 0.00 C ATOM 1087 CD2 PHE A 71 10.592 2.164 -9.961 1.00 0.00 C ATOM 1088 CE1 PHE A 71 9.243 0.059 -11.222 1.00 0.00 C ATOM 1089 CE2 PHE A 71 10.621 2.049 -11.356 1.00 0.00 C ATOM 1090 CZ PHE A 71 9.946 0.997 -11.987 1.00 0.00 C ATOM 0 H PHE A 71 7.400 1.803 -8.951 1.00 0.00 H new ATOM 0 HA PHE A 71 8.530 2.136 -6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.781 1.806 -7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.796 0.359 -7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.669 -0.550 -9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.112 2.976 -9.475 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.723 -0.753 -11.708 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.164 2.772 -11.946 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.968 0.909 -13.063 1.00 0.00 H new ATOM 1100 N ASN A 72 7.843 4.399 -7.872 1.00 0.00 N ATOM 1101 CA ASN A 72 8.008 5.827 -8.265 1.00 0.00 C ATOM 1102 C ASN A 72 8.637 5.910 -9.659 1.00 0.00 C ATOM 1103 O ASN A 72 9.730 6.414 -9.826 1.00 0.00 O ATOM 1104 CB ASN A 72 8.917 6.530 -7.254 1.00 0.00 C ATOM 1105 CG ASN A 72 8.431 6.231 -5.834 1.00 0.00 C ATOM 1106 OD1 ASN A 72 8.869 5.279 -5.218 1.00 0.00 O ATOM 1107 ND2 ASN A 72 7.540 7.010 -5.285 1.00 0.00 N ATOM 0 H ASN A 72 6.878 4.084 -7.777 1.00 0.00 H new ATOM 0 HA ASN A 72 7.032 6.312 -8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.945 6.190 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.913 7.605 -7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.211 6.820 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.173 7.809 -5.802 1.00 0.00 H new ATOM 1114 N GLU A 73 7.957 5.423 -10.661 1.00 0.00 N ATOM 1115 CA GLU A 73 8.524 5.482 -12.039 1.00 0.00 C ATOM 1116 C GLU A 73 7.549 4.837 -13.026 1.00 0.00 C ATOM 1117 O GLU A 73 7.940 4.089 -13.900 1.00 0.00 O ATOM 1118 CB GLU A 73 9.857 4.733 -12.076 1.00 0.00 C ATOM 1119 CG GLU A 73 10.910 5.605 -12.763 1.00 0.00 C ATOM 1120 CD GLU A 73 11.148 5.093 -14.184 1.00 0.00 C ATOM 1121 OE1 GLU A 73 10.486 4.145 -14.571 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.989 5.660 -14.863 1.00 0.00 O ATOM 0 H GLU A 73 7.037 4.989 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 73 8.684 6.523 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.177 4.487 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.743 3.791 -12.612 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.577 6.643 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.841 5.584 -12.197 1.00 0.00 H new ATOM 1129 N GLN A 74 6.282 5.123 -12.898 1.00 0.00 N ATOM 1130 CA GLN A 74 5.285 4.529 -13.833 1.00 0.00 C ATOM 1131 C GLN A 74 4.116 5.499 -14.017 1.00 0.00 C ATOM 1132 O GLN A 74 3.059 5.131 -14.492 1.00 0.00 O ATOM 1133 CB GLN A 74 4.767 3.210 -13.258 1.00 0.00 C ATOM 1134 CG GLN A 74 4.522 2.220 -14.397 1.00 0.00 C ATOM 1135 CD GLN A 74 5.853 1.613 -14.845 1.00 0.00 C ATOM 1136 OE1 GLN A 74 6.851 2.300 -14.924 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.910 0.344 -15.143 1.00 0.00 N ATOM 0 H GLN A 74 5.894 5.742 -12.186 1.00 0.00 H new ATOM 0 HA GLN A 74 5.758 4.343 -14.797 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.490 2.799 -12.554 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.844 3.380 -12.704 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.844 1.432 -14.068 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.041 2.725 -15.234 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.072 -0.234 -15.077 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.793 -0.070 -15.442 1.00 0.00 H new ATOM 1146 N LEU A 75 4.298 6.736 -13.646 1.00 0.00 N ATOM 1147 CA LEU A 75 3.204 7.733 -13.800 1.00 0.00 C ATOM 1148 C LEU A 75 3.813 9.131 -13.913 1.00 0.00 C ATOM 1149 O LEU A 75 3.163 10.127 -13.667 1.00 0.00 O ATOM 1150 CB LEU A 75 2.278 7.672 -12.582 1.00 0.00 C ATOM 1151 CG LEU A 75 0.851 8.025 -13.004 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.058 6.814 -12.795 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.345 9.195 -12.158 1.00 0.00 C ATOM 0 H LEU A 75 5.161 7.100 -13.241 1.00 0.00 H new ATOM 0 HA LEU A 75 2.628 7.510 -14.698 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.302 6.674 -12.144 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.623 8.365 -11.815 1.00 0.00 H new ATOM 0 HG LEU A 75 0.843 8.307 -14.057 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.075 7.066 -13.096 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.302 5.980 -13.397 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.051 6.531 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.672 9.448 -12.458 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.354 8.913 -11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.993 10.059 -12.308 1.00 0.00 H new