USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 676 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 46 SER OG : rot -110:sc= 0.066 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.437 K(o=-0.37,f=-1.5) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.0653 K(o=0.34,f=-4.9!) USER MOD Set 2.2: A 36 THR OG1 : rot -54:sc= 0.403 USER MOD Set 3.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 22 LYS NZ :NH3+ 167:sc=-0.00541 (180deg=-0.332) USER MOD Single : A 1 GLN : amide:sc= -0.0467 K(o=-0.047,f=-1.7!) USER MOD Single : A 1 GLN N :NH3+ 168:sc= -0.0045 (180deg=-0.2) USER MOD Single : A 5 MET CE :methyl 164:sc= -0.0685 (180deg=-0.541) USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.519) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= 0.461 (180deg=0.0912) USER MOD Single : A 9 CYS SG : rot 160:sc= -0.239 USER MOD Single : A 14 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 17 CYS SG : rot -23:sc= 0.592 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.3) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -72:sc= 0.0473 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.000549 X(o=-0.00055,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 0.027 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 99:sc= 0.966 USER MOD Single : A 80 THR OG1 : rot -20:sc= 0.673 USER MOD Single : A 81 SER OG : rot -61:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 0.688 0.133 0.024 1.00 0.00 N ATOM 2 CA GLN A 1 1.481 0.225 -1.197 1.00 0.00 C ATOM 3 C GLN A 1 0.614 -0.014 -2.428 1.00 0.00 C ATOM 4 O GLN A 1 1.053 -0.632 -3.398 1.00 0.00 O ATOM 5 CB GLN A 1 2.629 -0.786 -1.162 1.00 0.00 C ATOM 6 CG GLN A 1 2.168 -2.223 -0.986 1.00 0.00 C ATOM 7 CD GLN A 1 3.250 -3.229 -1.329 1.00 0.00 C ATOM 8 OE1 GLN A 1 4.251 -2.890 -1.960 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.053 -4.475 -0.915 1.00 0.00 N ATOM 0 H1 GLN A 1 1.322 0.096 0.848 1.00 0.00 H new ATOM 0 H2 GLN A 1 0.070 0.966 0.100 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.106 -0.728 -0.004 1.00 0.00 H new ATOM 0 HA GLN A 1 1.895 1.232 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.200 -0.707 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.305 -0.528 -0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.850 -2.375 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 1 1.298 -2.401 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 1 2.208 -4.712 -0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.746 -5.195 -1.117 1.00 0.00 H new ATOM 18 N ARG A 2 -0.619 0.480 -2.383 1.00 0.00 N ATOM 19 CA ARG A 2 -1.548 0.318 -3.495 1.00 0.00 C ATOM 20 C ARG A 2 -1.023 1.014 -4.747 1.00 0.00 C ATOM 21 O ARG A 2 -1.110 0.474 -5.850 1.00 0.00 O ATOM 22 CB ARG A 2 -2.922 0.880 -3.125 1.00 0.00 C ATOM 23 CG ARG A 2 -2.887 2.334 -2.683 1.00 0.00 C ATOM 24 CD ARG A 2 -4.056 2.667 -1.769 1.00 0.00 C ATOM 25 NE ARG A 2 -5.340 2.535 -2.453 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.504 2.856 -1.899 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.545 3.327 -0.660 1.00 0.00 N ATOM 28 NH2 ARG A 2 -7.630 2.708 -2.585 1.00 0.00 N ATOM 0 H ARG A 2 -0.998 0.996 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.643 -0.747 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.587 0.786 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.349 0.276 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.950 2.535 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.912 2.982 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.038 2.007 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.947 3.686 -1.397 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.343 2.177 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.681 3.444 -0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.440 3.573 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.602 2.347 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.523 2.955 -2.159 1.00 0.00 H new ATOM 42 N GLU A 3 -0.480 2.214 -4.568 1.00 0.00 N ATOM 43 CA GLU A 3 0.058 2.982 -5.685 1.00 0.00 C ATOM 44 C GLU A 3 1.097 2.171 -6.454 1.00 0.00 C ATOM 45 O GLU A 3 1.210 2.287 -7.674 1.00 0.00 O ATOM 46 CB GLU A 3 0.682 4.286 -5.182 1.00 0.00 C ATOM 47 CG GLU A 3 -0.335 5.286 -4.660 1.00 0.00 C ATOM 48 CD GLU A 3 -1.411 5.610 -5.679 1.00 0.00 C ATOM 49 OE1 GLU A 3 -2.437 4.898 -5.704 1.00 0.00 O ATOM 50 OE2 GLU A 3 -1.227 6.574 -6.451 1.00 0.00 O ATOM 0 H GLU A 3 -0.401 2.675 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.765 3.218 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.393 4.056 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.247 4.745 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.801 4.888 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.178 6.204 -4.374 1.00 0.00 H new ATOM 57 N GLU A 4 1.853 1.351 -5.730 1.00 0.00 N ATOM 58 CA GLU A 4 2.883 0.522 -6.344 1.00 0.00 C ATOM 59 C GLU A 4 2.262 -0.529 -7.260 1.00 0.00 C ATOM 60 O GLU A 4 2.727 -0.746 -8.378 1.00 0.00 O ATOM 61 CB GLU A 4 3.729 -0.160 -5.267 1.00 0.00 C ATOM 62 CG GLU A 4 4.897 0.685 -4.785 1.00 0.00 C ATOM 63 CD GLU A 4 4.452 1.882 -3.967 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.553 1.719 -3.117 1.00 0.00 O ATOM 65 OE2 GLU A 4 5.005 2.982 -4.179 1.00 0.00 O ATOM 0 H GLU A 4 1.771 1.243 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 4 3.524 1.169 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.092 -0.403 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.111 -1.103 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.564 0.067 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.470 1.030 -5.645 1.00 0.00 H new ATOM 72 N MET A 5 1.209 -1.179 -6.775 1.00 0.00 N ATOM 73 CA MET A 5 0.523 -2.207 -7.550 1.00 0.00 C ATOM 74 C MET A 5 -0.119 -1.610 -8.798 1.00 0.00 C ATOM 75 O MET A 5 -0.034 -2.182 -9.885 1.00 0.00 O ATOM 76 CB MET A 5 -0.542 -2.895 -6.693 1.00 0.00 C ATOM 77 CG MET A 5 -0.055 -3.269 -5.303 1.00 0.00 C ATOM 78 SD MET A 5 -1.095 -4.513 -4.514 1.00 0.00 S ATOM 79 CE MET A 5 -2.543 -3.538 -4.111 1.00 0.00 C ATOM 0 H MET A 5 0.812 -1.013 -5.850 1.00 0.00 H new ATOM 0 HA MET A 5 1.262 -2.946 -7.862 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.405 -2.235 -6.601 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.882 -3.795 -7.204 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.966 -3.644 -5.369 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.027 -2.376 -4.679 1.00 0.00 H new ATOM 0 HE1 MET A 5 -3.377 -4.202 -3.883 1.00 0.00 H new ATOM 0 HE2 MET A 5 -2.330 -2.912 -3.244 1.00 0.00 H new ATOM 0 HE3 MET A 5 -2.804 -2.906 -4.960 1.00 0.00 H new ATOM 89 N VAL A 6 -0.761 -0.458 -8.634 1.00 0.00 N ATOM 90 CA VAL A 6 -1.417 0.216 -9.748 1.00 0.00 C ATOM 91 C VAL A 6 -0.399 0.686 -10.782 1.00 0.00 C ATOM 92 O VAL A 6 -0.584 0.494 -11.984 1.00 0.00 O ATOM 93 CB VAL A 6 -2.239 1.426 -9.267 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.981 2.065 -10.430 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.207 1.009 -8.170 1.00 0.00 C ATOM 0 H VAL A 6 -0.841 0.028 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.088 -0.510 -10.206 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.555 2.167 -8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.556 2.918 -10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.264 2.401 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.656 1.335 -10.876 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.780 1.876 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.887 0.249 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.648 0.603 -7.327 1.00 0.00 H new ATOM 105 N LYS A 7 0.677 1.304 -10.306 1.00 0.00 N ATOM 106 CA LYS A 7 1.727 1.801 -11.188 1.00 0.00 C ATOM 107 C LYS A 7 2.353 0.661 -11.984 1.00 0.00 C ATOM 108 O LYS A 7 2.566 0.777 -13.191 1.00 0.00 O ATOM 109 CB LYS A 7 2.804 2.522 -10.375 1.00 0.00 C ATOM 110 CG LYS A 7 2.358 3.870 -9.834 1.00 0.00 C ATOM 111 CD LYS A 7 3.253 4.339 -8.699 1.00 0.00 C ATOM 112 CE LYS A 7 4.501 5.031 -9.224 1.00 0.00 C ATOM 113 NZ LYS A 7 5.596 4.062 -9.506 1.00 0.00 N ATOM 0 H LYS A 7 0.845 1.473 -9.314 1.00 0.00 H new ATOM 0 HA LYS A 7 1.277 2.505 -11.888 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.104 1.887 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.685 2.665 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.370 4.607 -10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.329 3.799 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.699 5.023 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.540 3.486 -8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.257 5.578 -10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.844 5.764 -8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.503 4.461 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.412 3.173 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.639 3.875 -10.528 1.00 0.00 H new ATOM 127 N LYS A 8 2.646 -0.441 -11.301 1.00 0.00 N ATOM 128 CA LYS A 8 3.246 -1.604 -11.945 1.00 0.00 C ATOM 129 C LYS A 8 2.307 -2.190 -12.994 1.00 0.00 C ATOM 130 O LYS A 8 2.720 -2.482 -14.117 1.00 0.00 O ATOM 131 CB LYS A 8 3.590 -2.669 -10.901 1.00 0.00 C ATOM 132 CG LYS A 8 4.801 -3.509 -11.266 1.00 0.00 C ATOM 133 CD LYS A 8 4.406 -4.735 -12.072 1.00 0.00 C ATOM 134 CE LYS A 8 5.391 -5.876 -11.870 1.00 0.00 C ATOM 135 NZ LYS A 8 6.698 -5.605 -12.532 1.00 0.00 N ATOM 0 H LYS A 8 2.478 -0.553 -10.301 1.00 0.00 H new ATOM 0 HA LYS A 8 4.161 -1.282 -12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.772 -2.182 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.730 -3.325 -10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.504 -2.906 -11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.316 -3.820 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.407 -5.059 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.359 -4.477 -13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.550 -6.034 -10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.966 -6.797 -12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.459 -6.077 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.676 -5.969 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.872 -4.580 -12.549 1.00 0.00 H new ATOM 149 N CYS A 9 1.043 -2.357 -12.622 1.00 0.00 N ATOM 150 CA CYS A 9 0.045 -2.908 -13.532 1.00 0.00 C ATOM 151 C CYS A 9 -0.050 -2.073 -14.805 1.00 0.00 C ATOM 152 O CYS A 9 -0.030 -2.608 -15.915 1.00 0.00 O ATOM 153 CB CYS A 9 -1.321 -2.972 -12.847 1.00 0.00 C ATOM 154 SG CYS A 9 -2.483 -4.121 -13.621 1.00 0.00 S ATOM 0 H CYS A 9 0.685 -2.119 -11.697 1.00 0.00 H new ATOM 0 HA CYS A 9 0.355 -3.917 -13.803 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.180 -3.262 -11.806 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.761 -1.975 -12.844 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.417 -4.431 -12.772 1.00 0.00 H new ATOM 160 N LEU A 10 -0.155 -0.760 -14.638 1.00 0.00 N ATOM 161 CA LEU A 10 -0.255 0.150 -15.774 1.00 0.00 C ATOM 162 C LEU A 10 0.995 0.074 -16.644 1.00 0.00 C ATOM 163 O LEU A 10 0.908 0.039 -17.871 1.00 0.00 O ATOM 164 CB LEU A 10 -0.464 1.585 -15.286 1.00 0.00 C ATOM 165 CG LEU A 10 -1.873 1.931 -14.802 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.930 3.369 -14.309 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.889 1.705 -15.912 1.00 0.00 C ATOM 0 H LEU A 10 -0.173 -0.301 -13.727 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.113 -0.152 -16.375 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.235 1.776 -14.472 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.203 2.265 -16.097 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.122 1.273 -13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.940 3.597 -13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.231 3.498 -13.483 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.660 4.043 -15.122 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.886 1.956 -15.550 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.643 2.338 -16.765 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.867 0.659 -16.218 1.00 0.00 H new ATOM 179 N GLY A 11 2.158 0.047 -16.000 1.00 0.00 N ATOM 180 CA GLY A 11 3.409 -0.027 -16.731 1.00 0.00 C ATOM 181 C GLY A 11 3.489 -1.252 -17.621 1.00 0.00 C ATOM 182 O GLY A 11 3.812 -1.147 -18.804 1.00 0.00 O ATOM 0 H GLY A 11 2.256 0.075 -14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.524 0.869 -17.341 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.239 -0.040 -16.024 1.00 0.00 H new ATOM 186 N GLU A 12 3.195 -2.416 -17.051 1.00 0.00 N ATOM 187 CA GLU A 12 3.238 -3.666 -17.801 1.00 0.00 C ATOM 188 C GLU A 12 2.135 -3.706 -18.855 1.00 0.00 C ATOM 189 O GLU A 12 2.352 -4.158 -19.980 1.00 0.00 O ATOM 190 CB GLU A 12 3.097 -4.860 -16.854 1.00 0.00 C ATOM 191 CG GLU A 12 4.422 -5.357 -16.301 1.00 0.00 C ATOM 192 CD GLU A 12 4.258 -6.143 -15.014 1.00 0.00 C ATOM 193 OE1 GLU A 12 3.169 -6.067 -14.408 1.00 0.00 O ATOM 194 OE2 GLU A 12 5.219 -6.833 -14.614 1.00 0.00 O ATOM 0 H GLU A 12 2.925 -2.520 -16.073 1.00 0.00 H new ATOM 0 HA GLU A 12 4.202 -3.724 -18.306 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.448 -4.580 -16.024 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.604 -5.676 -17.382 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.910 -5.985 -17.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.079 -4.506 -16.122 1.00 0.00 H new ATOM 201 N LEU A 13 0.952 -3.230 -18.483 1.00 0.00 N ATOM 202 CA LEU A 13 -0.186 -3.211 -19.395 1.00 0.00 C ATOM 203 C LEU A 13 0.118 -2.365 -20.628 1.00 0.00 C ATOM 204 O LEU A 13 -0.302 -2.692 -21.738 1.00 0.00 O ATOM 205 CB LEU A 13 -1.427 -2.669 -18.684 1.00 0.00 C ATOM 206 CG LEU A 13 -2.178 -3.661 -17.795 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.315 -2.966 -17.062 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.706 -4.824 -18.622 1.00 0.00 C ATOM 0 H LEU A 13 0.756 -2.852 -17.556 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.378 -4.234 -19.717 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.128 -1.818 -18.072 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.118 -2.292 -19.438 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.482 -4.055 -17.054 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.838 -3.687 -16.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.912 -2.168 -16.439 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.011 -2.544 -17.787 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.238 -5.520 -17.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.387 -4.448 -19.386 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.872 -5.338 -19.100 1.00 0.00 H new ATOM 220 N THR A 14 0.853 -1.276 -20.425 1.00 0.00 N ATOM 221 CA THR A 14 1.214 -0.383 -21.519 1.00 0.00 C ATOM 222 C THR A 14 2.018 -1.118 -22.585 1.00 0.00 C ATOM 223 O THR A 14 1.727 -1.014 -23.776 1.00 0.00 O ATOM 224 CB THR A 14 2.032 0.821 -21.014 1.00 0.00 C ATOM 225 OG1 THR A 14 1.282 1.545 -20.033 1.00 0.00 O ATOM 226 CG2 THR A 14 2.398 1.746 -22.165 1.00 0.00 C ATOM 0 H THR A 14 1.210 -0.991 -19.513 1.00 0.00 H new ATOM 0 HA THR A 14 0.282 -0.023 -21.955 1.00 0.00 H new ATOM 0 HB THR A 14 2.951 0.446 -20.564 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.452 1.166 -19.146 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.975 2.589 -21.785 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.993 1.199 -22.896 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.488 2.114 -22.640 1.00 0.00 H new ATOM 234 N GLU A 15 3.030 -1.862 -22.149 1.00 0.00 N ATOM 235 CA GLU A 15 3.876 -2.614 -23.068 1.00 0.00 C ATOM 236 C GLU A 15 3.099 -3.761 -23.708 1.00 0.00 C ATOM 237 O GLU A 15 3.257 -4.047 -24.895 1.00 0.00 O ATOM 238 CB GLU A 15 5.103 -3.161 -22.336 1.00 0.00 C ATOM 239 CG GLU A 15 5.841 -2.113 -21.519 1.00 0.00 C ATOM 240 CD GLU A 15 7.291 -2.481 -21.272 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.554 -3.245 -20.319 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.162 -2.006 -22.029 1.00 0.00 O ATOM 0 H GLU A 15 3.284 -1.960 -21.166 1.00 0.00 H new ATOM 0 HA GLU A 15 4.204 -1.936 -23.856 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.791 -3.971 -21.676 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.789 -3.591 -23.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.796 -1.155 -22.038 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.335 -1.981 -20.562 1.00 0.00 H new ATOM 249 N VAL A 16 2.260 -4.416 -22.912 1.00 0.00 N ATOM 250 CA VAL A 16 1.457 -5.531 -23.398 1.00 0.00 C ATOM 251 C VAL A 16 0.469 -5.073 -24.465 1.00 0.00 C ATOM 252 O VAL A 16 0.360 -5.686 -25.528 1.00 0.00 O ATOM 253 CB VAL A 16 0.681 -6.207 -22.252 1.00 0.00 C ATOM 254 CG1 VAL A 16 -0.171 -7.349 -22.784 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.640 -6.701 -21.179 1.00 0.00 C ATOM 0 H VAL A 16 2.119 -4.193 -21.927 1.00 0.00 H new ATOM 0 HA VAL A 16 2.149 -6.252 -23.833 1.00 0.00 H new ATOM 0 HB VAL A 16 0.016 -5.470 -21.802 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.712 -7.814 -21.960 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.883 -6.963 -23.513 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.471 -8.090 -23.261 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.075 -7.176 -20.377 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.331 -7.424 -21.613 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.202 -5.858 -20.777 1.00 0.00 H new ATOM 265 N CYS A 17 -0.248 -3.993 -24.175 1.00 0.00 N ATOM 266 CA CYS A 17 -1.228 -3.452 -25.110 1.00 0.00 C ATOM 267 C CYS A 17 -0.538 -2.790 -26.298 1.00 0.00 C ATOM 268 O CYS A 17 -1.086 -2.740 -27.400 1.00 0.00 O ATOM 269 CB CYS A 17 -2.134 -2.443 -24.404 1.00 0.00 C ATOM 270 SG CYS A 17 -1.335 -0.864 -24.036 1.00 0.00 S ATOM 0 H CYS A 17 -0.169 -3.475 -23.300 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.835 -4.278 -25.480 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.009 -2.259 -25.027 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.493 -2.882 -23.473 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.047 -1.030 -23.988 1.00 0.00 H new ATOM 276 N LYS A 18 0.667 -2.281 -26.068 1.00 0.00 N ATOM 277 CA LYS A 18 1.433 -1.620 -27.118 1.00 0.00 C ATOM 278 C LYS A 18 1.911 -2.628 -28.158 1.00 0.00 C ATOM 279 O LYS A 18 1.762 -2.410 -29.361 1.00 0.00 O ATOM 280 CB LYS A 18 2.633 -0.884 -26.516 1.00 0.00 C ATOM 281 CG LYS A 18 3.604 -0.352 -27.556 1.00 0.00 C ATOM 282 CD LYS A 18 4.694 0.494 -26.920 1.00 0.00 C ATOM 283 CE LYS A 18 5.265 1.501 -27.907 1.00 0.00 C ATOM 284 NZ LYS A 18 4.397 2.703 -28.037 1.00 0.00 N ATOM 0 H LYS A 18 1.135 -2.314 -25.162 1.00 0.00 H new ATOM 0 HA LYS A 18 0.781 -0.898 -27.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.272 -0.053 -25.909 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.165 -1.560 -25.847 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.056 -1.186 -28.093 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.062 0.244 -28.290 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.290 1.020 -26.055 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.492 -0.153 -26.556 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.260 1.805 -27.581 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.380 1.029 -28.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.820 3.365 -28.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.455 2.416 -28.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.308 3.169 -27.111 1.00 0.00 H new ATOM 298 N SER A 19 2.484 -3.731 -27.688 1.00 0.00 N ATOM 299 CA SER A 19 2.986 -4.771 -28.578 1.00 0.00 C ATOM 300 C SER A 19 1.835 -5.495 -29.271 1.00 0.00 C ATOM 301 O SER A 19 1.865 -5.717 -30.482 1.00 0.00 O ATOM 302 CB SER A 19 3.838 -5.774 -27.797 1.00 0.00 C ATOM 303 OG SER A 19 5.179 -5.330 -27.691 1.00 0.00 O ATOM 0 H SER A 19 2.612 -3.928 -26.695 1.00 0.00 H new ATOM 0 HA SER A 19 3.605 -4.295 -29.339 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.418 -5.914 -26.801 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.811 -6.744 -28.294 1.00 0.00 H new ATOM 0 HG SER A 19 5.702 -5.987 -27.186 1.00 0.00 H new ATOM 309 N LEU A 20 0.822 -5.861 -28.493 1.00 0.00 N ATOM 310 CA LEU A 20 -0.340 -6.560 -29.030 1.00 0.00 C ATOM 311 C LEU A 20 -1.084 -5.688 -30.037 1.00 0.00 C ATOM 312 O LEU A 20 -1.498 -6.159 -31.095 1.00 0.00 O ATOM 313 CB LEU A 20 -1.283 -6.968 -27.897 1.00 0.00 C ATOM 314 CG LEU A 20 -0.913 -8.244 -27.141 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.644 -8.308 -25.809 1.00 0.00 C ATOM 316 CD2 LEU A 20 -1.227 -9.472 -27.983 1.00 0.00 C ATOM 0 H LEU A 20 0.782 -5.685 -27.489 1.00 0.00 H new ATOM 0 HA LEU A 20 0.011 -7.455 -29.543 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.334 -6.148 -27.181 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.283 -7.093 -28.311 1.00 0.00 H new ATOM 0 HG LEU A 20 0.159 -8.227 -26.943 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.367 -9.223 -25.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.369 -7.446 -25.201 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.720 -8.301 -25.984 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.957 -10.371 -27.429 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.292 -9.493 -28.213 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.657 -9.432 -28.911 1.00 0.00 H new ATOM 328 N GLY A 21 -1.248 -4.412 -29.700 1.00 0.00 N ATOM 329 CA GLY A 21 -1.939 -3.494 -30.585 1.00 0.00 C ATOM 330 C GLY A 21 -1.121 -3.146 -31.813 1.00 0.00 C ATOM 331 O GLY A 21 -1.672 -2.890 -32.884 1.00 0.00 O ATOM 0 H GLY A 21 -0.914 -3.998 -28.829 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.885 -3.937 -30.896 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.178 -2.580 -30.041 1.00 0.00 H new ATOM 335 N LYS A 22 0.199 -3.133 -31.658 1.00 0.00 N ATOM 336 CA LYS A 22 1.096 -2.812 -32.762 1.00 0.00 C ATOM 337 C LYS A 22 1.078 -3.916 -33.815 1.00 0.00 C ATOM 338 O LYS A 22 0.969 -3.644 -35.011 1.00 0.00 O ATOM 339 CB LYS A 22 2.522 -2.609 -32.244 1.00 0.00 C ATOM 340 CG LYS A 22 2.832 -1.172 -31.865 1.00 0.00 C ATOM 341 CD LYS A 22 4.230 -1.037 -31.284 1.00 0.00 C ATOM 342 CE LYS A 22 4.838 0.320 -31.603 1.00 0.00 C ATOM 343 NZ LYS A 22 3.971 1.439 -31.142 1.00 0.00 N ATOM 0 H LYS A 22 0.671 -3.341 -30.778 1.00 0.00 H new ATOM 0 HA LYS A 22 0.749 -1.888 -33.224 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.678 -3.247 -31.374 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.227 -2.935 -33.009 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.740 -0.535 -32.745 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.100 -0.820 -31.138 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.191 -1.174 -30.203 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.868 -1.826 -31.682 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.816 0.400 -31.129 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.997 0.403 -32.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.507 2.330 -31.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.140 1.512 -31.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.660 1.258 -30.166 1.00 0.00 H new ATOM 357 N VAL A 23 1.185 -5.161 -33.363 1.00 0.00 N ATOM 358 CA VAL A 23 1.179 -6.306 -34.266 1.00 0.00 C ATOM 359 C VAL A 23 -0.183 -6.474 -34.930 1.00 0.00 C ATOM 360 O VAL A 23 -0.273 -6.795 -36.115 1.00 0.00 O ATOM 361 CB VAL A 23 1.542 -7.607 -33.526 1.00 0.00 C ATOM 362 CG1 VAL A 23 2.971 -7.547 -33.010 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.566 -7.861 -32.387 1.00 0.00 C ATOM 0 H VAL A 23 1.277 -5.403 -32.376 1.00 0.00 H new ATOM 0 HA VAL A 23 1.931 -6.111 -35.030 1.00 0.00 H new ATOM 0 HB VAL A 23 1.470 -8.437 -34.229 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.209 -8.475 -32.490 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.655 -7.415 -33.848 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.074 -6.708 -32.321 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.837 -8.784 -31.875 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.605 -7.030 -31.682 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.444 -7.951 -32.787 1.00 0.00 H new ATOM 373 N PHE A 24 -1.243 -6.255 -34.158 1.00 0.00 N ATOM 374 CA PHE A 24 -2.602 -6.383 -34.671 1.00 0.00 C ATOM 375 C PHE A 24 -2.855 -5.383 -35.796 1.00 0.00 C ATOM 376 O PHE A 24 -3.768 -5.557 -36.602 1.00 0.00 O ATOM 377 CB PHE A 24 -3.616 -6.169 -33.546 1.00 0.00 C ATOM 378 CG PHE A 24 -4.326 -7.426 -33.132 1.00 0.00 C ATOM 379 CD1 PHE A 24 -5.462 -7.848 -33.803 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.858 -8.185 -32.072 1.00 0.00 C ATOM 381 CE1 PHE A 24 -6.118 -9.004 -33.424 1.00 0.00 C ATOM 382 CE2 PHE A 24 -4.510 -9.342 -31.688 1.00 0.00 C ATOM 383 CZ PHE A 24 -5.641 -9.753 -32.366 1.00 0.00 C ATOM 0 H PHE A 24 -1.187 -5.988 -33.175 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.720 -7.390 -35.071 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.103 -5.749 -32.681 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.354 -5.434 -33.867 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.839 -7.267 -34.632 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.973 -7.869 -31.539 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.003 -9.322 -33.955 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.135 -9.924 -30.859 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.151 -10.658 -32.070 1.00 0.00 H new ATOM 393 N GLY A 25 -2.038 -4.335 -35.843 1.00 0.00 N ATOM 394 CA GLY A 25 -2.190 -3.323 -36.872 1.00 0.00 C ATOM 395 C GLY A 25 -3.073 -2.173 -36.429 1.00 0.00 C ATOM 396 O GLY A 25 -3.687 -1.498 -37.255 1.00 0.00 O ATOM 0 H GLY A 25 -1.274 -4.169 -35.188 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.208 -2.938 -37.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.615 -3.779 -37.766 1.00 0.00 H new ATOM 400 N VAL A 26 -3.139 -1.950 -35.120 1.00 0.00 N ATOM 401 CA VAL A 26 -3.955 -0.875 -34.568 1.00 0.00 C ATOM 402 C VAL A 26 -3.181 -0.080 -33.522 1.00 0.00 C ATOM 403 O VAL A 26 -1.993 -0.317 -33.300 1.00 0.00 O ATOM 404 CB VAL A 26 -5.247 -1.420 -33.932 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.037 -2.236 -34.943 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.923 -2.251 -32.699 1.00 0.00 C ATOM 0 H VAL A 26 -2.637 -2.499 -34.422 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.218 -0.219 -35.398 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.863 -0.576 -33.622 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.947 -2.613 -34.475 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.300 -1.606 -35.793 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.431 -3.075 -35.287 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.847 -2.629 -32.262 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.287 -3.089 -32.982 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.403 -1.631 -31.969 1.00 0.00 H new ATOM 416 N HIS A 27 -3.863 0.863 -32.879 1.00 0.00 N ATOM 417 CA HIS A 27 -3.240 1.692 -31.854 1.00 0.00 C ATOM 418 C HIS A 27 -3.664 1.241 -30.459 1.00 0.00 C ATOM 419 O HIS A 27 -4.659 0.533 -30.300 1.00 0.00 O ATOM 420 CB HIS A 27 -3.611 3.161 -32.062 1.00 0.00 C ATOM 421 CG HIS A 27 -3.312 3.664 -33.441 1.00 0.00 C ATOM 422 ND1 HIS A 27 -4.151 4.514 -34.130 1.00 0.00 N ATOM 423 CD2 HIS A 27 -2.258 3.435 -34.258 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.627 4.784 -35.312 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.478 4.141 -35.415 1.00 0.00 N ATOM 0 H HIS A 27 -4.847 1.072 -33.050 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.159 1.582 -31.940 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.674 3.291 -31.859 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.071 3.770 -31.337 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.403 2.813 -34.041 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.064 5.422 -36.066 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.855 4.165 -36.223 1.00 0.00 H new ATOM 433 N TYR A 28 -2.902 1.655 -29.453 1.00 0.00 N ATOM 434 CA TYR A 28 -3.196 1.291 -28.072 1.00 0.00 C ATOM 435 C TYR A 28 -4.474 1.970 -27.590 1.00 0.00 C ATOM 436 O TYR A 28 -5.243 1.397 -26.818 1.00 0.00 O ATOM 437 CB TYR A 28 -2.028 1.672 -27.162 1.00 0.00 C ATOM 438 CG TYR A 28 -1.779 3.162 -27.088 1.00 0.00 C ATOM 439 CD1 TYR A 28 -0.946 3.793 -28.004 1.00 0.00 C ATOM 440 CD2 TYR A 28 -2.377 3.938 -26.103 1.00 0.00 C ATOM 441 CE1 TYR A 28 -0.715 5.153 -27.940 1.00 0.00 C ATOM 442 CE2 TYR A 28 -2.153 5.300 -26.033 1.00 0.00 C ATOM 443 CZ TYR A 28 -1.321 5.902 -26.953 1.00 0.00 C ATOM 444 OH TYR A 28 -1.095 7.258 -26.887 1.00 0.00 O ATOM 0 H TYR A 28 -2.076 2.243 -29.568 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.342 0.212 -28.031 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.222 1.294 -26.158 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.124 1.178 -27.519 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.471 3.210 -28.779 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.028 3.469 -25.380 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.063 5.628 -28.659 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.627 5.889 -25.262 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.597 7.637 -26.136 1.00 0.00 H new ATOM 454 N PHE A 29 -4.695 3.197 -28.051 1.00 0.00 N ATOM 455 CA PHE A 29 -5.879 3.957 -27.668 1.00 0.00 C ATOM 456 C PHE A 29 -7.136 3.354 -28.288 1.00 0.00 C ATOM 457 O PHE A 29 -8.244 3.559 -27.795 1.00 0.00 O ATOM 458 CB PHE A 29 -5.734 5.418 -28.098 1.00 0.00 C ATOM 459 CG PHE A 29 -6.433 6.384 -27.184 1.00 0.00 C ATOM 460 CD1 PHE A 29 -5.924 6.658 -25.925 1.00 0.00 C ATOM 461 CD2 PHE A 29 -7.599 7.016 -27.584 1.00 0.00 C ATOM 462 CE1 PHE A 29 -6.564 7.547 -25.082 1.00 0.00 C ATOM 463 CE2 PHE A 29 -8.243 7.905 -26.745 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.726 8.170 -25.492 1.00 0.00 C ATOM 0 H PHE A 29 -4.069 3.686 -28.691 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.974 3.913 -26.583 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.675 5.672 -28.141 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.131 5.533 -29.107 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.017 6.171 -25.598 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.009 6.812 -28.562 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.156 7.754 -24.104 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.151 8.393 -27.069 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.230 8.863 -24.834 1.00 0.00 H new ATOM 474 N ASN A 30 -6.954 2.610 -29.375 1.00 0.00 N ATOM 475 CA ASN A 30 -8.074 1.979 -30.065 1.00 0.00 C ATOM 476 C ASN A 30 -8.491 0.692 -29.359 1.00 0.00 C ATOM 477 O ASN A 30 -9.681 0.415 -29.204 1.00 0.00 O ATOM 478 CB ASN A 30 -7.701 1.679 -31.518 1.00 0.00 C ATOM 479 CG ASN A 30 -7.546 2.940 -32.347 1.00 0.00 C ATOM 480 OD1 ASN A 30 -7.580 4.051 -31.819 1.00 0.00 O ATOM 481 ND2 ASN A 30 -7.376 2.771 -33.653 1.00 0.00 N ATOM 0 H ASN A 30 -6.043 2.430 -29.796 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.916 2.671 -30.049 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.769 1.115 -31.542 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.468 1.046 -31.964 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.267 3.582 -34.262 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.354 1.830 -34.047 1.00 0.00 H new ATOM 488 N ILE A 31 -7.504 -0.090 -28.934 1.00 0.00 N ATOM 489 CA ILE A 31 -7.769 -1.346 -28.244 1.00 0.00 C ATOM 490 C ILE A 31 -8.213 -1.100 -26.806 1.00 0.00 C ATOM 491 O ILE A 31 -9.014 -1.855 -26.255 1.00 0.00 O ATOM 492 CB ILE A 31 -6.527 -2.257 -28.237 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.358 -1.558 -27.540 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.148 -2.646 -29.658 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.094 -2.388 -27.501 1.00 0.00 C ATOM 0 H ILE A 31 -6.514 0.124 -29.055 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.571 -1.843 -28.790 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.764 -3.165 -27.683 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.150 -0.618 -28.051 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.651 -1.308 -26.520 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.269 -3.290 -29.637 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.977 -3.180 -30.123 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.926 -1.748 -30.234 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.308 -1.830 -26.993 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.285 -3.317 -26.964 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.777 -2.616 -28.519 1.00 0.00 H new ATOM 507 N PHE A 32 -7.689 -0.038 -26.204 1.00 0.00 N ATOM 508 CA PHE A 32 -8.031 0.309 -24.830 1.00 0.00 C ATOM 509 C PHE A 32 -7.970 1.819 -24.618 1.00 0.00 C ATOM 510 O PHE A 32 -7.143 2.506 -25.216 1.00 0.00 O ATOM 511 CB PHE A 32 -7.086 -0.393 -23.853 1.00 0.00 C ATOM 512 CG PHE A 32 -7.500 -1.799 -23.523 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.780 -2.069 -23.067 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.609 -2.850 -23.671 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.163 -3.362 -22.762 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.987 -4.145 -23.368 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.266 -4.401 -22.914 1.00 0.00 C ATOM 0 H PHE A 32 -7.025 0.598 -26.646 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.051 -0.026 -24.641 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.083 -0.409 -24.279 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.032 0.187 -22.932 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.486 -1.261 -22.948 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.608 -2.655 -24.027 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.163 -3.559 -22.405 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.283 -4.955 -23.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.564 -5.412 -22.678 1.00 0.00 H new ATOM 527 N ASN A 33 -8.851 2.327 -23.763 1.00 0.00 N ATOM 528 CA ASN A 33 -8.899 3.755 -23.473 1.00 0.00 C ATOM 529 C ASN A 33 -8.362 4.044 -22.074 1.00 0.00 C ATOM 530 O ASN A 33 -8.158 3.131 -21.274 1.00 0.00 O ATOM 531 CB ASN A 33 -10.332 4.275 -23.598 1.00 0.00 C ATOM 532 CG ASN A 33 -11.351 3.304 -23.035 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.760 3.417 -21.879 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.766 2.342 -23.851 1.00 0.00 N ATOM 0 H ASN A 33 -9.542 1.771 -23.259 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.269 4.269 -24.199 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.416 5.229 -23.077 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.556 4.465 -24.648 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.451 1.659 -23.527 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.400 2.286 -24.801 1.00 0.00 H new ATOM 541 N THR A 34 -8.135 5.322 -21.786 1.00 0.00 N ATOM 542 CA THR A 34 -7.621 5.732 -20.485 1.00 0.00 C ATOM 543 C THR A 34 -8.525 5.244 -19.358 1.00 0.00 C ATOM 544 O THR A 34 -8.048 4.832 -18.301 1.00 0.00 O ATOM 545 CB THR A 34 -7.486 7.264 -20.392 1.00 0.00 C ATOM 546 OG1 THR A 34 -7.054 7.639 -19.079 1.00 0.00 O ATOM 547 CG2 THR A 34 -8.808 7.945 -20.710 1.00 0.00 C ATOM 0 H THR A 34 -8.299 6.091 -22.436 1.00 0.00 H new ATOM 0 HA THR A 34 -6.635 5.280 -20.378 1.00 0.00 H new ATOM 0 HB THR A 34 -6.745 7.586 -21.124 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.969 8.614 -19.029 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.687 9.026 -20.638 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.119 7.681 -21.721 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.567 7.616 -20.000 1.00 0.00 H new ATOM 555 N VAL A 35 -9.833 5.293 -19.592 1.00 0.00 N ATOM 556 CA VAL A 35 -10.804 4.854 -18.596 1.00 0.00 C ATOM 557 C VAL A 35 -10.681 3.357 -18.332 1.00 0.00 C ATOM 558 O VAL A 35 -10.565 2.925 -17.185 1.00 0.00 O ATOM 559 CB VAL A 35 -12.244 5.170 -19.040 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.242 4.684 -18.000 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.408 6.661 -19.293 1.00 0.00 C ATOM 0 H VAL A 35 -10.244 5.632 -20.462 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.587 5.401 -17.678 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.442 4.643 -19.973 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.254 4.916 -18.331 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.140 3.606 -17.873 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.048 5.181 -17.050 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.432 6.867 -19.606 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.191 7.211 -18.378 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.719 6.975 -20.077 1.00 0.00 H new ATOM 571 N THR A 36 -10.708 2.569 -19.402 1.00 0.00 N ATOM 572 CA THR A 36 -10.601 1.120 -19.287 1.00 0.00 C ATOM 573 C THR A 36 -9.324 0.719 -18.557 1.00 0.00 C ATOM 574 O THR A 36 -9.358 -0.079 -17.619 1.00 0.00 O ATOM 575 CB THR A 36 -10.621 0.443 -20.671 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.850 0.739 -21.343 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.458 -1.063 -20.539 1.00 0.00 C ATOM 0 H THR A 36 -10.803 2.910 -20.359 1.00 0.00 H new ATOM 0 HA THR A 36 -11.465 0.784 -18.714 1.00 0.00 H new ATOM 0 HB THR A 36 -9.786 0.832 -21.254 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.605 0.486 -20.771 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.475 -1.519 -21.529 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.508 -1.285 -20.054 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.274 -1.466 -19.940 1.00 0.00 H new ATOM 585 N LEU A 37 -8.200 1.278 -18.990 1.00 0.00 N ATOM 586 CA LEU A 37 -6.911 0.980 -18.376 1.00 0.00 C ATOM 587 C LEU A 37 -6.913 1.351 -16.897 1.00 0.00 C ATOM 588 O LEU A 37 -6.489 0.567 -16.048 1.00 0.00 O ATOM 589 CB LEU A 37 -5.792 1.731 -19.101 1.00 0.00 C ATOM 590 CG LEU A 37 -5.625 1.415 -20.587 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.779 2.480 -21.267 1.00 0.00 C ATOM 592 CD2 LEU A 37 -5.004 0.039 -20.774 1.00 0.00 C ATOM 0 H LEU A 37 -8.155 1.940 -19.764 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.735 -0.092 -18.462 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.972 2.801 -18.996 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.850 1.515 -18.596 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.611 1.412 -21.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.671 2.238 -22.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.264 3.451 -21.164 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.795 2.515 -20.800 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.893 -0.168 -21.838 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.025 0.013 -20.295 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.648 -0.715 -20.323 1.00 0.00 H new ATOM 604 N LYS A 38 -7.396 2.551 -16.594 1.00 0.00 N ATOM 605 CA LYS A 38 -7.457 3.027 -15.217 1.00 0.00 C ATOM 606 C LYS A 38 -8.197 2.030 -14.330 1.00 0.00 C ATOM 607 O LYS A 38 -7.722 1.671 -13.252 1.00 0.00 O ATOM 608 CB LYS A 38 -8.150 4.391 -15.158 1.00 0.00 C ATOM 609 CG LYS A 38 -7.245 5.549 -15.540 1.00 0.00 C ATOM 610 CD LYS A 38 -6.313 5.928 -14.401 1.00 0.00 C ATOM 611 CE LYS A 38 -5.132 6.748 -14.897 1.00 0.00 C ATOM 612 NZ LYS A 38 -5.553 8.093 -15.377 1.00 0.00 N ATOM 0 H LYS A 38 -7.751 3.212 -17.284 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.437 3.128 -14.847 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.013 4.380 -15.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.528 4.554 -14.149 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.657 5.279 -16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.852 6.411 -15.816 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.864 6.498 -13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.950 5.025 -13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.405 6.861 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.633 6.214 -15.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.720 8.621 -15.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.228 7.986 -16.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.006 8.613 -14.599 1.00 0.00 H new ATOM 626 N LYS A 39 -9.361 1.586 -14.791 1.00 0.00 N ATOM 627 CA LYS A 39 -10.166 0.628 -14.041 1.00 0.00 C ATOM 628 C LYS A 39 -9.459 -0.720 -13.947 1.00 0.00 C ATOM 629 O LYS A 39 -9.569 -1.422 -12.941 1.00 0.00 O ATOM 630 CB LYS A 39 -11.535 0.454 -14.702 1.00 0.00 C ATOM 631 CG LYS A 39 -12.491 1.603 -14.433 1.00 0.00 C ATOM 632 CD LYS A 39 -13.154 1.470 -13.072 1.00 0.00 C ATOM 633 CE LYS A 39 -14.247 2.510 -12.880 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.606 1.921 -13.031 1.00 0.00 N ATOM 0 H LYS A 39 -9.769 1.874 -15.681 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.304 1.017 -13.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.399 0.350 -15.778 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.985 -0.473 -14.347 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.949 2.548 -14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.255 1.631 -15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.579 0.471 -12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.404 1.580 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.153 2.957 -11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.116 3.312 -13.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.323 2.662 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.705 1.517 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.741 1.172 -12.322 1.00 0.00 H new ATOM 648 N LEU A 40 -8.734 -1.077 -15.001 1.00 0.00 N ATOM 649 CA LEU A 40 -8.007 -2.342 -15.037 1.00 0.00 C ATOM 650 C LEU A 40 -6.982 -2.413 -13.910 1.00 0.00 C ATOM 651 O LEU A 40 -7.019 -3.322 -13.081 1.00 0.00 O ATOM 652 CB LEU A 40 -7.310 -2.514 -16.388 1.00 0.00 C ATOM 653 CG LEU A 40 -7.979 -3.475 -17.371 1.00 0.00 C ATOM 654 CD1 LEU A 40 -9.467 -3.177 -17.480 1.00 0.00 C ATOM 655 CD2 LEU A 40 -7.315 -3.389 -18.737 1.00 0.00 C ATOM 0 H LEU A 40 -8.634 -0.509 -15.842 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.726 -3.150 -14.901 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.234 -1.536 -16.862 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.292 -2.861 -16.208 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.859 -4.491 -16.994 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.926 -3.871 -18.184 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.934 -3.291 -16.501 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.609 -2.155 -17.833 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.804 -4.080 -19.424 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.403 -2.373 -19.121 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.261 -3.653 -18.647 1.00 0.00 H new ATOM 667 N ALA A 41 -6.070 -1.447 -13.885 1.00 0.00 N ATOM 668 CA ALA A 41 -5.037 -1.398 -12.857 1.00 0.00 C ATOM 669 C ALA A 41 -5.643 -1.133 -11.483 1.00 0.00 C ATOM 670 O ALA A 41 -5.159 -1.642 -10.473 1.00 0.00 O ATOM 671 CB ALA A 41 -4.006 -0.333 -13.196 1.00 0.00 C ATOM 0 H ALA A 41 -6.025 -0.688 -14.565 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.543 -2.369 -12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.241 -0.307 -12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.543 -0.567 -14.155 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.494 0.640 -13.256 1.00 0.00 H new ATOM 677 N GLU A 42 -6.704 -0.332 -11.453 1.00 0.00 N ATOM 678 CA GLU A 42 -7.374 0.001 -10.201 1.00 0.00 C ATOM 679 C GLU A 42 -7.922 -1.253 -9.527 1.00 0.00 C ATOM 680 O GLU A 42 -7.760 -1.444 -8.321 1.00 0.00 O ATOM 681 CB GLU A 42 -8.509 0.995 -10.454 1.00 0.00 C ATOM 682 CG GLU A 42 -8.088 2.448 -10.316 1.00 0.00 C ATOM 683 CD GLU A 42 -9.268 3.383 -10.131 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.983 3.243 -9.117 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.476 4.254 -11.001 1.00 0.00 O ATOM 0 H GLU A 42 -7.118 0.098 -12.280 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.641 0.458 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.905 0.834 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.320 0.793 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.414 2.548 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.529 2.746 -11.203 1.00 0.00 H new ATOM 692 N SER A 43 -8.571 -2.105 -10.313 1.00 0.00 N ATOM 693 CA SER A 43 -9.147 -3.339 -9.792 1.00 0.00 C ATOM 694 C SER A 43 -8.053 -4.339 -9.429 1.00 0.00 C ATOM 695 O SER A 43 -8.038 -4.888 -8.326 1.00 0.00 O ATOM 696 CB SER A 43 -10.098 -3.957 -10.820 1.00 0.00 C ATOM 697 OG SER A 43 -9.400 -4.345 -11.991 1.00 0.00 O ATOM 0 H SER A 43 -8.711 -1.964 -11.313 1.00 0.00 H new ATOM 0 HA SER A 43 -9.707 -3.096 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.595 -4.824 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.877 -3.239 -11.078 1.00 0.00 H new ATOM 0 HG SER A 43 -9.136 -3.547 -12.494 1.00 0.00 H new ATOM 703 N LEU A 44 -7.138 -4.570 -10.364 1.00 0.00 N ATOM 704 CA LEU A 44 -6.039 -5.503 -10.144 1.00 0.00 C ATOM 705 C LEU A 44 -6.555 -6.839 -9.618 1.00 0.00 C ATOM 706 O LEU A 44 -6.607 -7.063 -8.409 1.00 0.00 O ATOM 707 CB LEU A 44 -5.030 -4.910 -9.159 1.00 0.00 C ATOM 708 CG LEU A 44 -3.811 -4.225 -9.778 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.211 -3.222 -8.805 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.772 -5.256 -10.192 1.00 0.00 C ATOM 0 H LEU A 44 -7.135 -4.124 -11.281 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.546 -5.676 -11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.548 -4.186 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.680 -5.708 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.135 -3.687 -10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.345 -2.745 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.955 -2.464 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.903 -3.737 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.912 -4.750 -10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.453 -5.822 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.206 -5.935 -10.926 1.00 0.00 H new ATOM 722 N SER A 45 -6.934 -7.723 -10.535 1.00 0.00 N ATOM 723 CA SER A 45 -7.447 -9.037 -10.164 1.00 0.00 C ATOM 724 C SER A 45 -7.801 -9.852 -11.404 1.00 0.00 C ATOM 725 O SER A 45 -8.388 -9.334 -12.355 1.00 0.00 O ATOM 726 CB SER A 45 -8.678 -8.892 -9.267 1.00 0.00 C ATOM 727 OG SER A 45 -8.644 -9.824 -8.200 1.00 0.00 O ATOM 0 H SER A 45 -6.896 -7.554 -11.540 1.00 0.00 H new ATOM 0 HA SER A 45 -6.666 -9.563 -9.615 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.724 -7.879 -8.868 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.582 -9.043 -9.857 1.00 0.00 H new ATOM 0 HG SER A 45 -9.440 -9.710 -7.640 1.00 0.00 H new ATOM 733 N SER A 46 -7.440 -11.131 -11.387 1.00 0.00 N ATOM 734 CA SER A 46 -7.715 -12.018 -12.511 1.00 0.00 C ATOM 735 C SER A 46 -9.217 -12.142 -12.750 1.00 0.00 C ATOM 736 O SER A 46 -9.665 -12.292 -13.887 1.00 0.00 O ATOM 737 CB SER A 46 -7.112 -13.401 -12.256 1.00 0.00 C ATOM 738 OG SER A 46 -6.451 -13.446 -11.004 1.00 0.00 O ATOM 0 H SER A 46 -6.956 -11.576 -10.607 1.00 0.00 H new ATOM 0 HA SER A 46 -7.257 -11.588 -13.402 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.899 -14.155 -12.283 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.408 -13.647 -13.051 1.00 0.00 H new ATOM 0 HG SER A 46 -5.484 -13.509 -11.147 1.00 0.00 H new ATOM 744 N ASP A 47 -9.988 -12.079 -11.671 1.00 0.00 N ATOM 745 CA ASP A 47 -11.440 -12.183 -11.762 1.00 0.00 C ATOM 746 C ASP A 47 -11.977 -11.318 -12.898 1.00 0.00 C ATOM 747 O ASP A 47 -12.041 -10.092 -12.800 1.00 0.00 O ATOM 748 CB ASP A 47 -12.086 -11.768 -10.439 1.00 0.00 C ATOM 749 CG ASP A 47 -12.089 -12.890 -9.419 1.00 0.00 C ATOM 750 OD1 ASP A 47 -12.060 -14.068 -9.832 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.118 -12.589 -8.207 1.00 0.00 O ATOM 0 H ASP A 47 -9.632 -11.956 -10.723 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.693 -13.223 -11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.551 -10.911 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.111 -11.446 -10.624 1.00 0.00 H new ATOM 756 N PRO A 48 -12.371 -11.969 -14.002 1.00 0.00 N ATOM 757 CA PRO A 48 -12.909 -11.279 -15.178 1.00 0.00 C ATOM 758 C PRO A 48 -14.288 -10.682 -14.920 1.00 0.00 C ATOM 759 O PRO A 48 -14.819 -9.942 -15.748 1.00 0.00 O ATOM 760 CB PRO A 48 -12.995 -12.387 -16.231 1.00 0.00 C ATOM 761 CG PRO A 48 -13.117 -13.647 -15.446 1.00 0.00 C ATOM 762 CD PRO A 48 -12.323 -13.429 -14.188 1.00 0.00 C ATOM 0 HA PRO A 48 -12.286 -10.436 -15.476 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.854 -12.244 -16.887 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.109 -12.400 -16.865 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.160 -13.864 -15.216 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.731 -14.497 -16.009 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.760 -13.957 -13.340 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.299 -13.787 -14.292 1.00 0.00 H new ATOM 770 N GLU A 49 -14.862 -11.007 -13.766 1.00 0.00 N ATOM 771 CA GLU A 49 -16.180 -10.502 -13.400 1.00 0.00 C ATOM 772 C GLU A 49 -16.145 -8.991 -13.193 1.00 0.00 C ATOM 773 O GLU A 49 -16.982 -8.260 -13.724 1.00 0.00 O ATOM 774 CB GLU A 49 -16.680 -11.191 -12.128 1.00 0.00 C ATOM 775 CG GLU A 49 -16.845 -12.694 -12.275 1.00 0.00 C ATOM 776 CD GLU A 49 -17.237 -13.368 -10.975 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.409 -13.230 -10.565 1.00 0.00 O ATOM 778 OE2 GLU A 49 -16.372 -14.033 -10.366 1.00 0.00 O ATOM 0 H GLU A 49 -14.435 -11.617 -13.069 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.866 -10.724 -14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.981 -10.988 -11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.637 -10.755 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.604 -12.900 -13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.911 -13.125 -12.636 1.00 0.00 H new ATOM 785 N VAL A 50 -15.172 -8.528 -12.415 1.00 0.00 N ATOM 786 CA VAL A 50 -15.026 -7.105 -12.137 1.00 0.00 C ATOM 787 C VAL A 50 -14.627 -6.337 -13.392 1.00 0.00 C ATOM 788 O VAL A 50 -15.016 -5.184 -13.578 1.00 0.00 O ATOM 789 CB VAL A 50 -13.977 -6.852 -11.038 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.341 -7.606 -9.768 1.00 0.00 C ATOM 791 CG2 VAL A 50 -12.591 -7.247 -11.524 1.00 0.00 C ATOM 0 H VAL A 50 -14.472 -9.119 -11.966 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.997 -6.750 -11.791 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.966 -5.787 -10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.588 -7.415 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.314 -7.269 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.381 -8.675 -9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.862 -7.062 -10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.584 -8.306 -11.783 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.332 -6.657 -12.403 1.00 0.00 H new ATOM 801 N LEU A 51 -13.848 -6.985 -14.252 1.00 0.00 N ATOM 802 CA LEU A 51 -13.395 -6.364 -15.492 1.00 0.00 C ATOM 803 C LEU A 51 -14.564 -6.137 -16.445 1.00 0.00 C ATOM 804 O LEU A 51 -14.638 -5.110 -17.121 1.00 0.00 O ATOM 805 CB LEU A 51 -12.335 -7.237 -16.165 1.00 0.00 C ATOM 806 CG LEU A 51 -11.265 -7.824 -15.243 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.344 -8.754 -16.018 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.467 -6.713 -14.577 1.00 0.00 C ATOM 0 H LEU A 51 -13.517 -7.940 -14.113 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.957 -5.397 -15.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.839 -8.059 -16.673 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.839 -6.644 -16.933 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.762 -8.404 -14.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.589 -9.162 -15.346 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.927 -9.569 -16.447 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.855 -8.198 -16.818 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.710 -7.149 -13.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.981 -6.106 -15.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.137 -6.087 -13.988 1.00 0.00 H new ATOM 820 N LEU A 52 -15.476 -7.101 -16.494 1.00 0.00 N ATOM 821 CA LEU A 52 -16.644 -7.006 -17.364 1.00 0.00 C ATOM 822 C LEU A 52 -17.479 -5.777 -17.021 1.00 0.00 C ATOM 823 O LEU A 52 -18.222 -5.267 -17.860 1.00 0.00 O ATOM 824 CB LEU A 52 -17.499 -8.268 -17.241 1.00 0.00 C ATOM 825 CG LEU A 52 -18.024 -8.853 -18.553 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.842 -7.818 -19.310 1.00 0.00 C ATOM 827 CD2 LEU A 52 -16.873 -9.357 -19.411 1.00 0.00 C ATOM 0 H LEU A 52 -15.430 -7.957 -15.942 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.295 -6.910 -18.392 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.911 -9.033 -16.735 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.351 -8.044 -16.599 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.672 -9.697 -18.318 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.207 -8.252 -20.241 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.689 -7.505 -18.699 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.217 -6.953 -19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.266 -9.770 -20.340 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -16.199 -8.531 -19.637 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.329 -10.132 -18.871 1.00 0.00 H new ATOM 839 N GLN A 53 -17.349 -5.305 -15.786 1.00 0.00 N ATOM 840 CA GLN A 53 -18.091 -4.134 -15.334 1.00 0.00 C ATOM 841 C GLN A 53 -17.403 -2.848 -15.780 1.00 0.00 C ATOM 842 O GLN A 53 -17.901 -1.749 -15.534 1.00 0.00 O ATOM 843 CB GLN A 53 -18.232 -4.149 -13.811 1.00 0.00 C ATOM 844 CG GLN A 53 -19.188 -5.215 -13.299 1.00 0.00 C ATOM 845 CD GLN A 53 -19.571 -5.006 -11.847 1.00 0.00 C ATOM 846 OE1 GLN A 53 -20.706 -4.641 -11.539 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.624 -5.237 -10.945 1.00 0.00 N ATOM 0 H GLN A 53 -16.737 -5.715 -15.080 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.083 -4.169 -15.784 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.250 -4.309 -13.365 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.579 -3.171 -13.477 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.089 -5.214 -13.912 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.726 -6.196 -13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.697 -5.538 -11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.824 -5.113 -9.952 1.00 0.00 H new ATOM 856 N ILE A 54 -16.256 -2.993 -16.435 1.00 0.00 N ATOM 857 CA ILE A 54 -15.501 -1.843 -16.916 1.00 0.00 C ATOM 858 C ILE A 54 -15.949 -1.437 -18.316 1.00 0.00 C ATOM 859 O ILE A 54 -15.877 -2.228 -19.256 1.00 0.00 O ATOM 860 CB ILE A 54 -13.988 -2.132 -16.937 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.504 -2.533 -15.542 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.224 -0.916 -17.439 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.028 -2.857 -15.485 1.00 0.00 C ATOM 0 H ILE A 54 -15.829 -3.895 -16.645 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.697 -1.025 -16.223 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.801 -2.962 -17.619 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.717 -1.722 -14.845 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.071 -3.400 -15.205 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.156 -1.135 -17.448 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.553 -0.671 -18.449 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.415 -0.069 -16.780 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.755 -3.133 -14.466 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.812 -3.688 -16.156 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.452 -1.984 -15.791 1.00 0.00 H new ATOM 875 N ASP A 55 -16.410 -0.198 -18.447 1.00 0.00 N ATOM 876 CA ASP A 55 -16.867 0.316 -19.733 1.00 0.00 C ATOM 877 C ASP A 55 -15.806 0.109 -20.809 1.00 0.00 C ATOM 878 O ASP A 55 -14.632 0.415 -20.604 1.00 0.00 O ATOM 879 CB ASP A 55 -17.213 1.801 -19.619 1.00 0.00 C ATOM 880 CG ASP A 55 -18.331 2.061 -18.628 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.111 1.124 -18.355 1.00 0.00 O ATOM 882 OD2 ASP A 55 -18.427 3.201 -18.127 1.00 0.00 O ATOM 0 H ASP A 55 -16.477 0.469 -17.678 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.762 -0.236 -20.020 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.325 2.355 -19.314 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.505 2.179 -20.599 1.00 0.00 H new ATOM 887 N GLY A 56 -16.227 -0.413 -21.957 1.00 0.00 N ATOM 888 CA GLY A 56 -15.300 -0.653 -23.047 1.00 0.00 C ATOM 889 C GLY A 56 -14.478 -1.911 -22.844 1.00 0.00 C ATOM 890 O GLY A 56 -13.253 -1.887 -22.965 1.00 0.00 O ATOM 0 H GLY A 56 -17.194 -0.674 -22.151 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.856 -0.733 -23.981 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.631 0.202 -23.146 1.00 0.00 H new ATOM 894 N VAL A 57 -15.153 -3.013 -22.531 1.00 0.00 N ATOM 895 CA VAL A 57 -14.477 -4.285 -22.309 1.00 0.00 C ATOM 896 C VAL A 57 -15.366 -5.457 -22.710 1.00 0.00 C ATOM 897 O VAL A 57 -16.246 -5.871 -21.954 1.00 0.00 O ATOM 898 CB VAL A 57 -14.062 -4.451 -20.835 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.374 -5.791 -20.621 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.160 -3.304 -20.404 1.00 0.00 C ATOM 0 H VAL A 57 -16.167 -3.050 -22.426 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.583 -4.281 -22.932 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.960 -4.429 -20.218 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.088 -5.890 -19.574 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.057 -6.597 -20.889 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.483 -5.847 -21.247 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.876 -3.437 -19.360 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.264 -3.292 -21.025 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.693 -2.360 -20.518 1.00 0.00 H new ATOM 910 N THR A 58 -15.131 -5.989 -23.905 1.00 0.00 N ATOM 911 CA THR A 58 -15.911 -7.113 -24.408 1.00 0.00 C ATOM 912 C THR A 58 -15.156 -8.427 -24.236 1.00 0.00 C ATOM 913 O THR A 58 -13.943 -8.433 -24.031 1.00 0.00 O ATOM 914 CB THR A 58 -16.267 -6.930 -25.896 1.00 0.00 C ATOM 915 OG1 THR A 58 -16.909 -8.108 -26.395 1.00 0.00 O ATOM 916 CG2 THR A 58 -15.020 -6.638 -26.718 1.00 0.00 C ATOM 0 H THR A 58 -14.406 -5.659 -24.543 1.00 0.00 H new ATOM 0 HA THR A 58 -16.831 -7.146 -23.824 1.00 0.00 H new ATOM 0 HB THR A 58 -16.947 -6.083 -25.983 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.133 -7.983 -27.341 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.296 -6.513 -27.765 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.550 -5.724 -26.354 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.320 -7.468 -26.624 1.00 0.00 H new ATOM 924 N GLU A 59 -15.882 -9.537 -24.322 1.00 0.00 N ATOM 925 CA GLU A 59 -15.280 -10.856 -24.176 1.00 0.00 C ATOM 926 C GLU A 59 -14.121 -11.037 -25.152 1.00 0.00 C ATOM 927 O GLU A 59 -13.104 -11.645 -24.820 1.00 0.00 O ATOM 928 CB GLU A 59 -16.327 -11.948 -24.403 1.00 0.00 C ATOM 929 CG GLU A 59 -16.633 -12.767 -23.160 1.00 0.00 C ATOM 930 CD GLU A 59 -18.104 -12.744 -22.794 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.945 -12.850 -23.711 1.00 0.00 O ATOM 932 OE2 GLU A 59 -18.415 -12.622 -21.591 1.00 0.00 O ATOM 0 H GLU A 59 -16.888 -9.549 -24.492 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.893 -10.939 -23.160 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.248 -11.488 -24.760 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.978 -12.616 -25.191 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.319 -13.798 -23.322 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.048 -12.384 -22.324 1.00 0.00 H new ATOM 939 N ASP A 60 -14.283 -10.504 -26.358 1.00 0.00 N ATOM 940 CA ASP A 60 -13.252 -10.605 -27.384 1.00 0.00 C ATOM 941 C ASP A 60 -12.001 -9.834 -26.974 1.00 0.00 C ATOM 942 O ASP A 60 -10.882 -10.329 -27.108 1.00 0.00 O ATOM 943 CB ASP A 60 -13.777 -10.076 -28.720 1.00 0.00 C ATOM 944 CG ASP A 60 -13.086 -10.717 -29.908 1.00 0.00 C ATOM 945 OD1 ASP A 60 -12.590 -11.853 -29.763 1.00 0.00 O ATOM 946 OD2 ASP A 60 -13.041 -10.081 -30.982 1.00 0.00 O ATOM 0 H ASP A 60 -15.119 -9.997 -26.649 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.989 -11.657 -27.497 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.849 -10.260 -28.784 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.636 -8.996 -28.761 1.00 0.00 H new ATOM 951 N LYS A 61 -12.198 -8.618 -26.476 1.00 0.00 N ATOM 952 CA LYS A 61 -11.087 -7.777 -26.046 1.00 0.00 C ATOM 953 C LYS A 61 -10.284 -8.459 -24.943 1.00 0.00 C ATOM 954 O LYS A 61 -9.059 -8.558 -25.025 1.00 0.00 O ATOM 955 CB LYS A 61 -11.606 -6.425 -25.552 1.00 0.00 C ATOM 956 CG LYS A 61 -11.945 -5.457 -26.672 1.00 0.00 C ATOM 957 CD LYS A 61 -12.634 -4.210 -26.143 1.00 0.00 C ATOM 958 CE LYS A 61 -11.662 -3.046 -26.023 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.358 -1.732 -26.113 1.00 0.00 N ATOM 0 H LYS A 61 -13.118 -8.192 -26.360 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.432 -7.617 -26.902 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.495 -6.587 -24.942 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.855 -5.971 -24.906 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.033 -5.174 -27.198 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.591 -5.951 -27.397 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.453 -3.935 -26.808 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.073 -4.421 -25.168 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.132 -3.112 -25.073 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.913 -3.115 -26.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.675 -0.995 -26.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.110 -1.786 -26.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.775 -1.496 -25.190 1.00 0.00 H new ATOM 973 N LEU A 62 -10.980 -8.929 -23.914 1.00 0.00 N ATOM 974 CA LEU A 62 -10.331 -9.603 -22.795 1.00 0.00 C ATOM 975 C LEU A 62 -9.779 -10.959 -23.223 1.00 0.00 C ATOM 976 O LEU A 62 -8.832 -11.470 -22.627 1.00 0.00 O ATOM 977 CB LEU A 62 -11.319 -9.783 -21.641 1.00 0.00 C ATOM 978 CG LEU A 62 -12.567 -10.612 -21.948 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.255 -12.098 -21.861 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.697 -10.246 -20.997 1.00 0.00 C ATOM 0 H LEU A 62 -11.994 -8.856 -23.831 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.500 -8.982 -22.460 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.793 -10.250 -20.808 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.637 -8.796 -21.304 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.888 -10.388 -22.965 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.155 -12.672 -22.082 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.477 -12.349 -22.582 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.909 -12.339 -20.856 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.577 -10.845 -21.230 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.386 -10.441 -19.971 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.938 -9.189 -21.108 1.00 0.00 H new ATOM 992 N GLU A 63 -10.377 -11.535 -24.262 1.00 0.00 N ATOM 993 CA GLU A 63 -9.944 -12.831 -24.770 1.00 0.00 C ATOM 994 C GLU A 63 -8.622 -12.706 -25.522 1.00 0.00 C ATOM 995 O GLU A 63 -7.804 -13.627 -25.521 1.00 0.00 O ATOM 996 CB GLU A 63 -11.012 -13.427 -25.689 1.00 0.00 C ATOM 997 CG GLU A 63 -12.016 -14.309 -24.964 1.00 0.00 C ATOM 998 CD GLU A 63 -11.957 -15.754 -25.419 1.00 0.00 C ATOM 999 OE1 GLU A 63 -12.616 -16.086 -26.426 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.252 -16.553 -24.767 1.00 0.00 O ATOM 0 H GLU A 63 -11.162 -11.124 -24.768 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.797 -13.495 -23.919 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.545 -12.616 -26.186 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.523 -14.012 -26.468 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.828 -14.262 -23.891 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.021 -13.921 -25.129 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.420 -11.561 -26.164 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.199 -11.313 -26.921 1.00 0.00 C ATOM 1009 C LYS A 64 -6.117 -10.713 -26.028 1.00 0.00 C ATOM 1010 O LYS A 64 -4.993 -11.211 -25.978 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.484 -10.374 -28.095 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.971 -11.090 -29.343 1.00 0.00 C ATOM 1013 CD LYS A 64 -9.348 -10.605 -29.763 1.00 0.00 C ATOM 1014 CE LYS A 64 -9.544 -10.718 -31.267 1.00 0.00 C ATOM 1015 NZ LYS A 64 -9.649 -12.136 -31.708 1.00 0.00 N ATOM 0 H LYS A 64 -9.087 -10.789 -26.175 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.840 -12.268 -27.306 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.233 -9.642 -27.791 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.576 -9.820 -28.335 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.263 -10.928 -30.156 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.003 -12.164 -29.158 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.113 -11.189 -29.251 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.479 -9.568 -29.455 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.446 -10.180 -31.557 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.709 -10.239 -31.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.782 -12.170 -32.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.778 -12.644 -31.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.461 -12.586 -31.239 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.466 -9.643 -25.323 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.525 -8.975 -24.431 1.00 0.00 C ATOM 1031 C TYR A 65 -5.748 -9.402 -22.984 1.00 0.00 C ATOM 1032 O TYR A 65 -4.812 -9.793 -22.289 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.663 -7.457 -24.554 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.323 -7.011 -25.839 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.745 -7.288 -27.072 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.524 -6.312 -25.821 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.344 -6.882 -28.249 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.130 -5.903 -26.993 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.537 -6.190 -28.204 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.137 -5.784 -29.374 1.00 0.00 O ATOM 0 H TYR A 65 -7.393 -9.219 -25.352 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.517 -9.266 -24.725 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.242 -7.084 -23.709 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.674 -7.004 -24.487 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.812 -7.830 -27.111 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.992 -6.085 -24.874 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.881 -7.105 -29.199 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.064 -5.361 -26.961 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.970 -5.311 -29.167 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.998 -9.324 -22.537 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.324 -9.706 -21.175 1.00 0.00 C ATOM 1052 C GLY A 66 -6.601 -10.964 -20.737 1.00 0.00 C ATOM 1053 O GLY A 66 -6.233 -11.103 -19.571 1.00 0.00 O ATOM 0 H GLY A 66 -7.790 -9.003 -23.093 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.067 -8.889 -20.500 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.400 -9.861 -21.092 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.398 -11.885 -21.674 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.715 -13.138 -21.378 1.00 0.00 C ATOM 1059 C ALA A 67 -4.425 -12.890 -20.603 1.00 0.00 C ATOM 1060 O ALA A 67 -4.237 -13.420 -19.509 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.422 -13.896 -22.665 1.00 0.00 C ATOM 0 H ALA A 67 -6.697 -11.786 -22.644 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.373 -13.743 -20.754 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.912 -14.830 -22.429 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.358 -14.114 -23.180 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.787 -13.288 -23.309 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.540 -12.082 -21.179 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.267 -11.767 -20.541 1.00 0.00 C ATOM 1069 C GLU A 68 -2.488 -11.096 -19.188 1.00 0.00 C ATOM 1070 O GLU A 68 -1.747 -11.337 -18.235 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.432 -10.856 -21.443 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.204 -11.421 -22.835 1.00 0.00 C ATOM 1073 CD GLU A 68 0.014 -10.825 -23.515 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.874 -10.263 -22.804 1.00 0.00 O ATOM 1075 OE2 GLU A 68 0.108 -10.920 -24.756 1.00 0.00 O ATOM 0 H GLU A 68 -3.681 -11.634 -22.085 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.729 -12.701 -20.381 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.929 -9.890 -21.529 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.466 -10.677 -20.970 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.086 -12.503 -22.769 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.086 -11.234 -23.448 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.513 -10.254 -19.112 1.00 0.00 N ATOM 1083 CA VAL A 69 -3.833 -9.549 -17.877 1.00 0.00 C ATOM 1084 C VAL A 69 -4.187 -10.526 -16.762 1.00 0.00 C ATOM 1085 O VAL A 69 -3.751 -10.366 -15.621 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.005 -8.569 -18.077 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.154 -7.660 -16.867 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -4.807 -7.754 -19.346 1.00 0.00 C ATOM 0 H VAL A 69 -4.136 -10.043 -19.891 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.943 -8.987 -17.594 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.924 -9.146 -18.183 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.987 -6.975 -17.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.346 -8.264 -15.980 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.236 -7.089 -16.726 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.644 -7.067 -19.472 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.879 -7.186 -19.273 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.755 -8.424 -20.204 1.00 0.00 H new ATOM 1098 N ILE A 70 -4.978 -11.539 -17.099 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.389 -12.544 -16.127 1.00 0.00 C ATOM 1100 C ILE A 70 -4.215 -13.429 -15.722 1.00 0.00 C ATOM 1101 O ILE A 70 -4.088 -13.817 -14.561 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.521 -13.431 -16.678 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.742 -12.578 -17.028 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -6.891 -14.506 -15.667 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -8.927 -13.388 -17.506 1.00 0.00 C ATOM 0 H ILE A 70 -5.347 -11.685 -18.039 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.754 -12.006 -15.252 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.170 -13.920 -17.587 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.036 -12.002 -16.151 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.465 -11.862 -17.802 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.692 -15.125 -16.071 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.020 -15.128 -15.462 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.226 -14.036 -14.742 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.756 -12.719 -17.736 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.650 -13.944 -18.402 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.230 -14.086 -16.725 1.00 0.00 H new ATOM 1117 N SER A 71 -3.358 -13.745 -16.688 1.00 0.00 N ATOM 1118 CA SER A 71 -2.195 -14.587 -16.434 1.00 0.00 C ATOM 1119 C SER A 71 -1.275 -13.944 -15.400 1.00 0.00 C ATOM 1120 O SER A 71 -0.863 -14.586 -14.434 1.00 0.00 O ATOM 1121 CB SER A 71 -1.426 -14.838 -17.732 1.00 0.00 C ATOM 1122 OG SER A 71 -1.978 -15.928 -18.449 1.00 0.00 O ATOM 0 H SER A 71 -3.447 -13.430 -17.654 1.00 0.00 H new ATOM 0 HA SER A 71 -2.547 -15.540 -16.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.450 -13.942 -18.352 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.379 -15.041 -17.505 1.00 0.00 H new ATOM 0 HG SER A 71 -1.470 -16.067 -19.275 1.00 0.00 H new ATOM 1128 N VAL A 72 -0.956 -12.671 -15.612 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.086 -11.939 -14.699 1.00 0.00 C ATOM 1130 C VAL A 72 -0.759 -11.728 -13.348 1.00 0.00 C ATOM 1131 O VAL A 72 -0.121 -11.837 -12.300 1.00 0.00 O ATOM 1132 CB VAL A 72 0.313 -10.570 -15.281 1.00 0.00 C ATOM 1133 CG1 VAL A 72 1.176 -10.747 -16.521 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -0.925 -9.745 -15.597 1.00 0.00 C ATOM 0 H VAL A 72 -1.287 -12.125 -16.408 1.00 0.00 H new ATOM 0 HA VAL A 72 0.811 -12.544 -14.564 1.00 0.00 H new ATOM 0 HB VAL A 72 0.899 -10.034 -14.534 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.448 -9.769 -16.918 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.080 -11.297 -16.260 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.619 -11.303 -17.276 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.625 -8.781 -16.007 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.539 -10.274 -16.326 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.500 -9.588 -14.685 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.052 -11.427 -13.378 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.814 -11.201 -12.155 1.00 0.00 C ATOM 1146 C LEU A 73 -2.895 -12.475 -11.321 1.00 0.00 C ATOM 1147 O LEU A 73 -2.983 -12.420 -10.094 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.223 -10.708 -12.492 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.326 -9.273 -13.009 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.650 -9.058 -13.726 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.171 -8.281 -11.865 1.00 0.00 C ATOM 0 H LEU A 73 -2.595 -11.334 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.299 -10.438 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.650 -11.374 -13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.841 -10.796 -11.598 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.518 -9.105 -13.721 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.706 -8.031 -14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.722 -9.744 -14.570 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.472 -9.245 -13.035 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.247 -7.265 -12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.957 -8.449 -11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.198 -8.418 -11.394 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.861 -13.620 -11.994 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.929 -14.908 -11.314 1.00 0.00 C ATOM 1165 C GLN A 74 -1.548 -15.344 -10.834 1.00 0.00 C ATOM 1166 O GLN A 74 -1.414 -15.984 -9.791 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.517 -15.970 -12.244 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.964 -16.319 -11.932 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.170 -16.708 -10.481 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.239 -17.144 -9.805 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.396 -16.551 -9.995 1.00 0.00 N ATOM 0 H GLN A 74 -2.787 -13.682 -13.009 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.578 -14.797 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.451 -15.617 -13.273 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.912 -16.874 -12.178 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.599 -15.465 -12.169 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.282 -17.141 -12.573 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.138 -16.186 -10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.595 -16.796 -9.025 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.523 -14.993 -11.603 1.00 0.00 N ATOM 1181 CA LYS A 75 0.849 -15.347 -11.258 1.00 0.00 C ATOM 1182 C LYS A 75 1.292 -14.630 -9.987 1.00 0.00 C ATOM 1183 O LYS A 75 1.725 -15.264 -9.024 1.00 0.00 O ATOM 1184 CB LYS A 75 1.793 -14.995 -12.410 1.00 0.00 C ATOM 1185 CG LYS A 75 1.800 -16.024 -13.527 1.00 0.00 C ATOM 1186 CD LYS A 75 3.196 -16.227 -14.091 1.00 0.00 C ATOM 1187 CE LYS A 75 3.370 -15.508 -15.420 1.00 0.00 C ATOM 1188 NZ LYS A 75 3.791 -14.092 -15.233 1.00 0.00 N ATOM 0 H LYS A 75 -0.616 -14.463 -12.470 1.00 0.00 H new ATOM 0 HA LYS A 75 0.887 -16.422 -11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.506 -14.027 -12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.805 -14.888 -12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.417 -16.973 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.128 -15.702 -14.323 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.934 -15.860 -13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.384 -17.292 -14.225 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.113 -16.031 -16.022 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.432 -15.538 -15.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.899 -13.636 -16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.070 -13.586 -14.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.699 -14.064 -14.726 1.00 0.00 H new ATOM 1202 N TYR A 76 1.180 -13.307 -9.990 1.00 0.00 N ATOM 1203 CA TYR A 76 1.569 -12.504 -8.836 1.00 0.00 C ATOM 1204 C TYR A 76 0.642 -12.764 -7.653 1.00 0.00 C ATOM 1205 O TYR A 76 1.034 -12.606 -6.497 1.00 0.00 O ATOM 1206 CB TYR A 76 1.553 -11.017 -9.195 1.00 0.00 C ATOM 1207 CG TYR A 76 0.293 -10.303 -8.759 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -0.912 -10.516 -9.416 1.00 0.00 C ATOM 1209 CD2 TYR A 76 0.309 -9.417 -7.689 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -2.065 -9.865 -9.021 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -0.840 -8.763 -7.286 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.024 -8.990 -7.956 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.171 -8.341 -7.559 1.00 0.00 O ATOM 0 H TYR A 76 0.823 -12.767 -10.778 1.00 0.00 H new ATOM 0 HA TYR A 76 2.581 -12.791 -8.550 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.414 -10.531 -8.735 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.666 -10.911 -10.274 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.948 -11.202 -10.249 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.235 -9.236 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.994 -10.041 -9.544 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.811 -8.078 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.971 -7.762 -6.794 1.00 0.00 H new ATOM 1223 N SER A 77 -0.590 -13.163 -7.952 1.00 0.00 N ATOM 1224 CA SER A 77 -1.575 -13.443 -6.914 1.00 0.00 C ATOM 1225 C SER A 77 -1.097 -14.565 -5.998 1.00 0.00 C ATOM 1226 O SER A 77 -1.294 -14.517 -4.785 1.00 0.00 O ATOM 1227 CB SER A 77 -2.917 -13.821 -7.544 1.00 0.00 C ATOM 1228 OG SER A 77 -3.807 -12.718 -7.549 1.00 0.00 O ATOM 0 H SER A 77 -0.930 -13.300 -8.904 1.00 0.00 H new ATOM 0 HA SER A 77 -1.703 -12.540 -6.317 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.758 -14.169 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.362 -14.649 -6.991 1.00 0.00 H new ATOM 0 HG SER A 77 -3.799 -12.295 -8.433 1.00 0.00 H new ATOM 1234 N GLU A 78 -0.467 -15.575 -6.590 1.00 0.00 N ATOM 1235 CA GLU A 78 0.039 -16.711 -5.828 1.00 0.00 C ATOM 1236 C GLU A 78 1.046 -16.254 -4.775 1.00 0.00 C ATOM 1237 O GLU A 78 0.758 -16.270 -3.578 1.00 0.00 O ATOM 1238 CB GLU A 78 0.691 -17.732 -6.763 1.00 0.00 C ATOM 1239 CG GLU A 78 -0.230 -18.875 -7.152 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.007 -18.592 -8.423 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.403 -18.655 -9.514 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.219 -18.307 -8.327 1.00 0.00 O ATOM 0 H GLU A 78 -0.295 -15.630 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.804 -17.180 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.026 -17.223 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.579 -18.140 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.359 -19.782 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.929 -19.066 -6.338 1.00 0.00 H new ATOM 1249 N TRP A 79 2.226 -15.849 -5.230 1.00 0.00 N ATOM 1250 CA TRP A 79 3.275 -15.389 -4.328 1.00 0.00 C ATOM 1251 C TRP A 79 4.476 -14.868 -5.111 1.00 0.00 C ATOM 1252 O TRP A 79 5.070 -15.592 -5.911 1.00 0.00 O ATOM 1253 CB TRP A 79 3.710 -16.522 -3.398 1.00 0.00 C ATOM 1254 CG TRP A 79 4.236 -17.721 -4.127 1.00 0.00 C ATOM 1255 CD1 TRP A 79 3.505 -18.749 -4.649 1.00 0.00 C ATOM 1256 CD2 TRP A 79 5.608 -18.016 -4.413 1.00 0.00 C ATOM 1257 NE1 TRP A 79 4.339 -19.666 -5.243 1.00 0.00 N ATOM 1258 CE2 TRP A 79 5.634 -19.239 -5.112 1.00 0.00 C ATOM 1259 CE3 TRP A 79 6.816 -17.365 -4.149 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 6.821 -19.822 -5.548 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 7.993 -17.946 -4.582 1.00 0.00 C ATOM 1262 CH2 TRP A 79 7.989 -19.163 -5.275 1.00 0.00 C ATOM 0 H TRP A 79 2.480 -15.830 -6.218 1.00 0.00 H new ATOM 0 HA TRP A 79 2.872 -14.572 -3.729 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.479 -16.151 -2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 79 2.862 -16.823 -2.783 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.429 -18.830 -4.602 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.042 -20.525 -5.706 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.830 -16.425 -3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 6.820 -20.761 -6.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 8.933 -17.453 -4.382 1.00 0.00 H new ATOM 0 HH2 TRP A 79 8.926 -19.590 -5.600 1.00 0.00 H new ATOM 1273 N THR A 80 4.830 -13.609 -4.875 1.00 0.00 N ATOM 1274 CA THR A 80 5.960 -12.992 -5.558 1.00 0.00 C ATOM 1275 C THR A 80 6.472 -11.779 -4.790 1.00 0.00 C ATOM 1276 O THR A 80 5.819 -10.736 -4.752 1.00 0.00 O ATOM 1277 CB THR A 80 5.582 -12.558 -6.987 1.00 0.00 C ATOM 1278 OG1 THR A 80 5.087 -13.681 -7.726 1.00 0.00 O ATOM 1279 CG2 THR A 80 6.783 -11.961 -7.706 1.00 0.00 C ATOM 0 H THR A 80 4.350 -12.996 -4.216 1.00 0.00 H new ATOM 0 HA THR A 80 6.747 -13.744 -5.610 1.00 0.00 H new ATOM 0 HB THR A 80 4.804 -11.798 -6.918 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.385 -14.511 -7.299 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.492 -11.662 -8.713 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.139 -11.089 -7.157 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.579 -12.704 -7.764 1.00 0.00 H new ATOM 1287 N SER A 81 7.643 -11.923 -4.179 1.00 0.00 N ATOM 1288 CA SER A 81 8.241 -10.839 -3.408 1.00 0.00 C ATOM 1289 C SER A 81 7.262 -10.310 -2.364 1.00 0.00 C ATOM 1290 O SER A 81 6.729 -9.206 -2.479 1.00 0.00 O ATOM 1291 CB SER A 81 8.676 -9.704 -4.337 1.00 0.00 C ATOM 1292 OG SER A 81 9.026 -8.546 -3.599 1.00 0.00 O ATOM 0 H SER A 81 8.197 -12.779 -4.203 1.00 0.00 H new ATOM 0 HA SER A 81 9.117 -11.233 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.526 -10.027 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.868 -9.467 -5.030 1.00 0.00 H new ATOM 0 HG SER A 81 8.247 -8.231 -3.095 1.00 0.00 H new ATOM 1298 N PRO A 82 7.020 -11.116 -1.320 1.00 0.00 N ATOM 1299 CA PRO A 82 6.105 -10.751 -0.234 1.00 0.00 C ATOM 1300 C PRO A 82 6.657 -9.627 0.636 1.00 0.00 C ATOM 1301 O PRO A 82 7.759 -9.132 0.402 1.00 0.00 O ATOM 1302 CB PRO A 82 5.983 -12.044 0.576 1.00 0.00 C ATOM 1303 CG PRO A 82 7.244 -12.786 0.297 1.00 0.00 C ATOM 1304 CD PRO A 82 7.621 -12.445 -1.118 1.00 0.00 C ATOM 0 HA PRO A 82 5.153 -10.377 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.873 -11.836 1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.109 -12.620 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.031 -12.493 0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.099 -13.860 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.703 -12.421 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.229 -13.175 -1.826 1.00 0.00 H new ATOM 1312 N ALA A 83 5.883 -9.228 1.641 1.00 0.00 N ATOM 1313 CA ALA A 83 6.296 -8.164 2.547 1.00 0.00 C ATOM 1314 C ALA A 83 6.017 -8.540 3.998 1.00 0.00 C ATOM 1315 O ALA A 83 5.249 -9.461 4.273 1.00 0.00 O ATOM 1316 CB ALA A 83 5.589 -6.864 2.191 1.00 0.00 C ATOM 0 H ALA A 83 4.967 -9.626 1.848 1.00 0.00 H new ATOM 0 HA ALA A 83 7.371 -8.022 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.907 -6.078 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.842 -6.580 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.511 -7.002 2.272 1.00 0.00 H new ATOM 1322 N GLU A 84 6.647 -7.821 4.922 1.00 0.00 N ATOM 1323 CA GLU A 84 6.467 -8.082 6.346 1.00 0.00 C ATOM 1324 C GLU A 84 5.980 -6.831 7.071 1.00 0.00 C ATOM 1325 O GLU A 84 6.779 -6.046 7.582 1.00 0.00 O ATOM 1326 CB GLU A 84 7.778 -8.567 6.968 1.00 0.00 C ATOM 1327 CG GLU A 84 8.462 -9.664 6.169 1.00 0.00 C ATOM 1328 CD GLU A 84 9.777 -10.101 6.785 1.00 0.00 C ATOM 1329 OE1 GLU A 84 10.754 -9.327 6.710 1.00 0.00 O ATOM 1330 OE2 GLU A 84 9.828 -11.218 7.341 1.00 0.00 O ATOM 0 H GLU A 84 7.286 -7.054 4.711 1.00 0.00 H new ATOM 0 HA GLU A 84 5.712 -8.861 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.459 -7.721 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.579 -8.933 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.796 -10.524 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.640 -9.311 5.153 1.00 0.00 H new ATOM 1337 N ASP A 85 4.664 -6.651 7.110 1.00 0.00 N ATOM 1338 CA ASP A 85 4.069 -5.496 7.772 1.00 0.00 C ATOM 1339 C ASP A 85 4.110 -5.659 9.288 1.00 0.00 C ATOM 1340 O ASP A 85 4.554 -4.762 10.007 1.00 0.00 O ATOM 1341 CB ASP A 85 2.625 -5.302 7.306 1.00 0.00 C ATOM 1342 CG ASP A 85 1.894 -4.246 8.111 1.00 0.00 C ATOM 1343 OD1 ASP A 85 2.232 -3.051 7.968 1.00 0.00 O ATOM 1344 OD2 ASP A 85 0.984 -4.613 8.882 1.00 0.00 O ATOM 0 H ASP A 85 3.989 -7.291 6.691 1.00 0.00 H new ATOM 0 HA ASP A 85 4.650 -4.614 7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.621 -5.020 6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.091 -6.249 7.384 1.00 0.00 H new TER 1349 ASP A 85