USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -168:sc= -0.0299 (180deg=-0.222) USER MOD Single : A 9 THR OG1 : rot -29:sc= 0.865 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.339 USER MOD Single : A 45 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.0096) USER MOD Single : A 48 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.81) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -72:sc= -4.46! USER MOD Single : A 55 GLN : amide:sc= -3.87 K(o=-3.9,f=-5.6!) USER MOD Single : A 56 SER OG : rot 110:sc= -0.505 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -47:sc= 0.531 USER MOD Single : A 75 SER OG : rot 140:sc= -2.61! USER MOD Single : A 92 SER OG : rot 108:sc= -4.35! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.690 -15.667 -19.678 1.00 0.00 N ATOM 2 CA ALA A 1 -6.106 -14.296 -19.283 1.00 0.00 C ATOM 3 C ALA A 1 -5.226 -13.760 -18.160 1.00 0.00 C ATOM 4 O ALA A 1 -5.015 -12.554 -18.044 1.00 0.00 O ATOM 5 CB ALA A 1 -7.565 -14.291 -18.854 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.161 -15.930 -20.567 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.659 -15.692 -19.812 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.959 -16.340 -18.932 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.989 -13.644 -20.148 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.856 -13.281 -18.567 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.189 -14.627 -19.682 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.697 -14.961 -18.005 1.00 0.00 H new ATOM 13 N VAL A 2 -4.712 -14.668 -17.335 1.00 0.00 N ATOM 14 CA VAL A 2 -3.849 -14.289 -16.215 1.00 0.00 C ATOM 15 C VAL A 2 -2.374 -14.490 -16.570 1.00 0.00 C ATOM 16 O VAL A 2 -2.039 -14.725 -17.733 1.00 0.00 O ATOM 17 CB VAL A 2 -4.159 -15.085 -14.912 1.00 0.00 C ATOM 18 CG1 VAL A 2 -4.425 -14.123 -13.764 1.00 0.00 C ATOM 19 CG2 VAL A 2 -5.332 -16.049 -15.078 1.00 0.00 C ATOM 0 H VAL A 2 -4.877 -15.671 -17.419 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.054 -13.235 -16.027 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.280 -15.690 -14.687 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.641 -14.689 -12.858 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.546 -13.499 -13.602 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.279 -13.491 -14.009 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.504 -16.577 -14.140 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.227 -15.489 -15.349 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.103 -16.769 -15.863 1.00 0.00 H new ATOM 29 N LEU A 3 -1.503 -14.365 -15.573 1.00 0.00 N ATOM 30 CA LEU A 3 -0.098 -14.490 -15.761 1.00 0.00 C ATOM 31 C LEU A 3 0.341 -15.856 -16.169 1.00 0.00 C ATOM 32 O LEU A 3 -0.321 -16.861 -15.910 1.00 0.00 O ATOM 33 CB LEU A 3 0.622 -14.238 -14.438 1.00 0.00 C ATOM 34 CG LEU A 3 1.250 -12.853 -14.255 1.00 0.00 C ATOM 35 CD1 LEU A 3 1.618 -12.288 -15.599 1.00 0.00 C ATOM 36 CD2 LEU A 3 0.298 -11.926 -13.519 1.00 0.00 C ATOM 0 H LEU A 3 -1.776 -14.172 -14.609 1.00 0.00 H new ATOM 0 HA LEU A 3 0.142 -13.772 -16.546 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.088 -14.401 -13.627 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.407 -14.986 -14.329 1.00 0.00 H new ATOM 0 HG LEU A 3 2.153 -12.946 -13.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.065 -11.302 -15.469 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.333 -12.949 -16.088 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.723 -12.202 -16.215 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.763 -10.947 -13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.624 -11.822 -14.091 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.071 -12.342 -12.538 1.00 0.00 H new ATOM 48 N ASP A 4 1.505 -15.852 -16.791 1.00 0.00 N ATOM 49 CA ASP A 4 2.116 -17.053 -17.230 1.00 0.00 C ATOM 50 C ASP A 4 2.439 -17.903 -15.989 1.00 0.00 C ATOM 51 O ASP A 4 1.702 -17.859 -14.997 1.00 0.00 O ATOM 52 CB ASP A 4 3.368 -16.742 -18.047 1.00 0.00 C ATOM 53 CG ASP A 4 3.819 -17.921 -18.890 1.00 0.00 C ATOM 54 OD1 ASP A 4 3.421 -19.061 -18.580 1.00 0.00 O ATOM 55 OD2 ASP A 4 4.574 -17.702 -19.865 1.00 0.00 O ATOM 0 H ASP A 4 2.038 -15.007 -16.997 1.00 0.00 H new ATOM 0 HA ASP A 4 1.445 -17.612 -17.882 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.172 -15.889 -18.697 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.174 -16.451 -17.374 1.00 0.00 H new ATOM 60 N LEU A 5 3.512 -18.663 -16.018 1.00 0.00 N ATOM 61 CA LEU A 5 3.889 -19.484 -14.911 1.00 0.00 C ATOM 62 C LEU A 5 4.754 -18.702 -13.914 1.00 0.00 C ATOM 63 O LEU A 5 4.276 -17.813 -13.209 1.00 0.00 O ATOM 64 CB LEU A 5 4.582 -20.727 -15.472 1.00 0.00 C ATOM 65 CG LEU A 5 5.598 -20.461 -16.595 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.018 -20.485 -16.070 1.00 0.00 C ATOM 67 CD2 LEU A 5 5.426 -21.482 -17.710 1.00 0.00 C ATOM 0 H LEU A 5 4.143 -18.722 -16.817 1.00 0.00 H new ATOM 0 HA LEU A 5 3.015 -19.799 -14.341 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.093 -21.238 -14.656 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.820 -21.409 -15.848 1.00 0.00 H new ATOM 0 HG LEU A 5 5.408 -19.465 -16.994 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.712 -20.294 -16.889 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.137 -19.716 -15.306 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.229 -21.463 -15.636 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.151 -21.284 -18.500 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.587 -22.484 -17.313 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.417 -21.410 -18.117 1.00 0.00 H new ATOM 79 N ASP A 6 6.026 -19.029 -13.895 1.00 0.00 N ATOM 80 CA ASP A 6 6.990 -18.379 -13.055 1.00 0.00 C ATOM 81 C ASP A 6 7.499 -17.112 -13.733 1.00 0.00 C ATOM 82 O ASP A 6 8.118 -16.254 -13.110 1.00 0.00 O ATOM 83 CB ASP A 6 8.153 -19.324 -12.783 1.00 0.00 C ATOM 84 CG ASP A 6 8.061 -19.988 -11.423 1.00 0.00 C ATOM 85 OD1 ASP A 6 8.531 -19.383 -10.440 1.00 0.00 O ATOM 86 OD2 ASP A 6 7.516 -21.111 -11.342 1.00 0.00 O ATOM 0 H ASP A 6 6.421 -19.769 -14.476 1.00 0.00 H new ATOM 0 HA ASP A 6 6.518 -18.110 -12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 6 8.181 -20.092 -13.556 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.089 -18.770 -12.850 1.00 0.00 H new ATOM 91 N VAL A 7 7.219 -17.023 -15.029 1.00 0.00 N ATOM 92 CA VAL A 7 7.622 -15.905 -15.842 1.00 0.00 C ATOM 93 C VAL A 7 6.681 -14.710 -15.692 1.00 0.00 C ATOM 94 O VAL A 7 6.525 -13.915 -16.615 1.00 0.00 O ATOM 95 CB VAL A 7 7.712 -16.297 -17.327 1.00 0.00 C ATOM 96 CG1 VAL A 7 8.881 -17.242 -17.561 1.00 0.00 C ATOM 97 CG2 VAL A 7 6.409 -16.931 -17.787 1.00 0.00 C ATOM 0 H VAL A 7 6.700 -17.737 -15.540 1.00 0.00 H new ATOM 0 HA VAL A 7 8.609 -15.611 -15.485 1.00 0.00 H new ATOM 0 HB VAL A 7 7.882 -15.394 -17.914 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.928 -17.508 -18.617 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.809 -16.752 -17.268 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.744 -18.145 -16.965 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.488 -17.203 -18.840 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.210 -17.825 -17.195 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.593 -16.221 -17.656 1.00 0.00 H new ATOM 107 N ARG A 8 6.064 -14.579 -14.526 1.00 0.00 N ATOM 108 CA ARG A 8 5.178 -13.494 -14.255 1.00 0.00 C ATOM 109 C ARG A 8 5.989 -12.204 -14.182 1.00 0.00 C ATOM 110 O ARG A 8 7.069 -12.186 -13.592 1.00 0.00 O ATOM 111 CB ARG A 8 4.482 -13.767 -12.930 1.00 0.00 C ATOM 112 CG ARG A 8 3.270 -14.668 -13.050 1.00 0.00 C ATOM 113 CD ARG A 8 2.758 -15.081 -11.684 1.00 0.00 C ATOM 114 NE ARG A 8 1.399 -15.619 -11.746 1.00 0.00 N ATOM 115 CZ ARG A 8 1.112 -16.920 -11.735 1.00 0.00 C ATOM 116 NH1 ARG A 8 2.083 -17.823 -11.661 1.00 0.00 N ATOM 117 NH2 ARG A 8 -0.150 -17.319 -11.799 1.00 0.00 N ATOM 0 H ARG A 8 6.175 -15.232 -13.750 1.00 0.00 H new ATOM 0 HA ARG A 8 4.429 -13.392 -15.040 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.195 -14.222 -12.243 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.176 -12.818 -12.489 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.481 -14.150 -13.596 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.529 -15.555 -13.628 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.425 -15.831 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.777 -14.221 -11.015 1.00 0.00 H new ATOM 0 HE ARG A 8 0.624 -14.958 -11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.056 -17.522 -11.612 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.855 -18.817 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.900 -16.630 -11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.371 -18.315 -11.791 1.00 0.00 H new ATOM 131 N THR A 9 5.478 -11.129 -14.789 1.00 0.00 N ATOM 132 CA THR A 9 6.158 -9.847 -14.812 1.00 0.00 C ATOM 133 C THR A 9 7.661 -10.008 -15.111 1.00 0.00 C ATOM 134 O THR A 9 8.516 -9.890 -14.235 1.00 0.00 O ATOM 135 CB THR A 9 5.869 -9.056 -13.532 1.00 0.00 C ATOM 136 OG1 THR A 9 7.018 -8.838 -12.734 1.00 0.00 O ATOM 137 CG2 THR A 9 4.813 -9.683 -12.665 1.00 0.00 C ATOM 0 H THR A 9 4.582 -11.131 -15.276 1.00 0.00 H new ATOM 0 HA THR A 9 5.759 -9.256 -15.636 1.00 0.00 H new ATOM 0 HB THR A 9 5.504 -8.100 -13.906 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.656 -9.568 -12.873 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.660 -9.070 -11.777 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.879 -9.753 -13.223 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.133 -10.681 -12.366 1.00 0.00 H new ATOM 145 N CYS A 10 7.960 -10.324 -16.369 1.00 0.00 N ATOM 146 CA CYS A 10 9.337 -10.549 -16.798 1.00 0.00 C ATOM 147 C CYS A 10 10.094 -9.239 -17.026 1.00 0.00 C ATOM 148 O CYS A 10 10.888 -8.821 -16.183 1.00 0.00 O ATOM 149 CB CYS A 10 9.355 -11.402 -18.071 1.00 0.00 C ATOM 150 SG CYS A 10 9.074 -13.181 -17.774 1.00 0.00 S ATOM 0 H CYS A 10 7.266 -10.430 -17.109 1.00 0.00 H new ATOM 0 HA CYS A 10 9.848 -11.080 -15.995 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.591 -11.033 -18.755 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.316 -11.274 -18.569 1.00 0.00 H new ATOM 155 N LEU A 11 9.858 -8.606 -18.170 1.00 0.00 N ATOM 156 CA LEU A 11 10.539 -7.357 -18.501 1.00 0.00 C ATOM 157 C LEU A 11 9.956 -6.179 -17.714 1.00 0.00 C ATOM 158 O LEU A 11 8.879 -5.673 -18.045 1.00 0.00 O ATOM 159 CB LEU A 11 10.434 -7.077 -20.002 1.00 0.00 C ATOM 160 CG LEU A 11 11.735 -6.622 -20.666 1.00 0.00 C ATOM 161 CD1 LEU A 11 12.816 -7.678 -20.499 1.00 0.00 C ATOM 162 CD2 LEU A 11 11.504 -6.320 -22.138 1.00 0.00 C ATOM 0 H LEU A 11 9.204 -8.934 -18.881 1.00 0.00 H new ATOM 0 HA LEU A 11 11.588 -7.468 -18.226 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.085 -7.981 -20.502 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.675 -6.311 -20.162 1.00 0.00 H new ATOM 0 HG LEU A 11 12.071 -5.708 -20.177 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.734 -7.337 -20.977 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.000 -7.845 -19.438 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.490 -8.609 -20.962 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.440 -5.998 -22.595 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.145 -7.217 -22.642 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.762 -5.528 -22.235 1.00 0.00 H new ATOM 174 N PRO A 12 10.660 -5.721 -16.653 1.00 0.00 N ATOM 175 CA PRO A 12 10.192 -4.606 -15.836 1.00 0.00 C ATOM 176 C PRO A 12 10.198 -3.279 -16.579 1.00 0.00 C ATOM 177 O PRO A 12 10.575 -3.197 -17.750 1.00 0.00 O ATOM 178 CB PRO A 12 11.184 -4.516 -14.677 1.00 0.00 C ATOM 179 CG PRO A 12 12.058 -5.716 -14.766 1.00 0.00 C ATOM 180 CD PRO A 12 11.949 -6.253 -16.171 1.00 0.00 C ATOM 0 HA PRO A 12 9.161 -4.783 -15.529 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.774 -3.602 -14.743 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.661 -4.489 -13.721 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.091 -5.456 -14.534 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.749 -6.470 -14.042 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.778 -5.916 -16.793 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.962 -7.343 -16.185 1.00 0.00 H new ATOM 188 N CYS A 13 9.750 -2.246 -15.881 1.00 0.00 N ATOM 189 CA CYS A 13 9.660 -0.930 -16.410 1.00 0.00 C ATOM 190 C CYS A 13 10.046 0.091 -15.339 1.00 0.00 C ATOM 191 O CYS A 13 10.626 -0.268 -14.310 1.00 0.00 O ATOM 192 CB CYS A 13 8.228 -0.688 -16.871 1.00 0.00 C ATOM 193 SG CYS A 13 8.011 -0.670 -18.677 1.00 0.00 S ATOM 0 H CYS A 13 9.437 -2.321 -14.913 1.00 0.00 H new ATOM 0 HA CYS A 13 10.343 -0.821 -17.253 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.588 -1.462 -16.448 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.885 0.265 -16.467 1.00 0.00 H new ATOM 198 N GLY A 14 9.664 1.344 -15.571 1.00 0.00 N ATOM 199 CA GLY A 14 9.942 2.380 -14.608 1.00 0.00 C ATOM 200 C GLY A 14 11.407 2.445 -14.215 1.00 0.00 C ATOM 201 O GLY A 14 12.289 2.165 -15.021 1.00 0.00 O ATOM 0 H GLY A 14 9.169 1.654 -16.407 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.639 3.343 -15.020 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.339 2.211 -13.716 1.00 0.00 H new ATOM 205 N PRO A 15 11.686 2.838 -12.969 1.00 0.00 N ATOM 206 CA PRO A 15 13.043 2.974 -12.448 1.00 0.00 C ATOM 207 C PRO A 15 13.616 1.648 -11.940 1.00 0.00 C ATOM 208 O PRO A 15 13.510 1.324 -10.759 1.00 0.00 O ATOM 209 CB PRO A 15 12.812 3.961 -11.309 1.00 0.00 C ATOM 210 CG PRO A 15 11.509 3.539 -10.754 1.00 0.00 C ATOM 211 CD PRO A 15 10.680 3.221 -11.963 1.00 0.00 C ATOM 0 HA PRO A 15 13.772 3.295 -13.192 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.604 3.906 -10.562 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.782 4.990 -11.668 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.615 2.670 -10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.055 4.330 -10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.977 2.411 -11.768 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.094 4.081 -12.287 1.00 0.00 H new ATOM 219 N GLY A 16 14.238 0.892 -12.848 1.00 0.00 N ATOM 220 CA GLY A 16 14.833 -0.388 -12.480 1.00 0.00 C ATOM 221 C GLY A 16 13.951 -1.567 -12.848 1.00 0.00 C ATOM 222 O GLY A 16 14.274 -2.339 -13.755 1.00 0.00 O ATOM 0 H GLY A 16 14.340 1.143 -13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.798 -0.492 -12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.023 -0.402 -11.407 1.00 0.00 H new ATOM 226 N GLY A 17 12.820 -1.684 -12.160 1.00 0.00 N ATOM 227 CA GLY A 17 11.878 -2.739 -12.409 1.00 0.00 C ATOM 228 C GLY A 17 10.649 -2.604 -11.556 1.00 0.00 C ATOM 229 O GLY A 17 10.042 -3.578 -11.120 1.00 0.00 O ATOM 0 H GLY A 17 12.542 -1.044 -11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.593 -2.730 -13.461 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.351 -3.702 -12.215 1.00 0.00 H new ATOM 233 N LYS A 18 10.313 -1.358 -11.329 1.00 0.00 N ATOM 234 CA LYS A 18 9.180 -0.961 -10.539 1.00 0.00 C ATOM 235 C LYS A 18 7.876 -1.348 -11.202 1.00 0.00 C ATOM 236 O LYS A 18 6.869 -1.611 -10.544 1.00 0.00 O ATOM 237 CB LYS A 18 9.227 0.541 -10.402 1.00 0.00 C ATOM 238 CG LYS A 18 9.697 1.055 -9.081 1.00 0.00 C ATOM 239 CD LYS A 18 10.762 0.165 -8.501 1.00 0.00 C ATOM 240 CE LYS A 18 11.277 0.670 -7.166 1.00 0.00 C ATOM 241 NZ LYS A 18 10.629 -0.027 -6.019 1.00 0.00 N ATOM 0 H LYS A 18 10.840 -0.569 -11.703 1.00 0.00 H new ATOM 0 HA LYS A 18 9.226 -1.461 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.880 0.938 -11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.229 0.936 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.088 2.066 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.855 1.117 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.362 -0.841 -8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.592 0.092 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.356 0.526 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.095 1.742 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.009 0.347 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.602 0.132 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.824 -1.047 -6.078 1.00 0.00 H new ATOM 255 N GLY A 19 7.954 -1.434 -12.496 1.00 0.00 N ATOM 256 CA GLY A 19 6.867 -1.839 -13.306 1.00 0.00 C ATOM 257 C GLY A 19 7.303 -2.802 -14.379 1.00 0.00 C ATOM 258 O GLY A 19 8.278 -3.540 -14.226 1.00 0.00 O ATOM 0 H GLY A 19 8.801 -1.217 -13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.104 -2.307 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.410 -0.963 -13.766 1.00 0.00 H new ATOM 262 N ARG A 20 6.567 -2.764 -15.459 1.00 0.00 N ATOM 263 CA ARG A 20 6.834 -3.593 -16.613 1.00 0.00 C ATOM 264 C ARG A 20 6.141 -3.012 -17.846 1.00 0.00 C ATOM 265 O ARG A 20 5.446 -1.997 -17.760 1.00 0.00 O ATOM 266 CB ARG A 20 6.379 -5.016 -16.335 1.00 0.00 C ATOM 267 CG ARG A 20 4.882 -5.138 -16.249 1.00 0.00 C ATOM 268 CD ARG A 20 4.379 -6.342 -17.025 1.00 0.00 C ATOM 269 NE ARG A 20 4.119 -7.489 -16.153 1.00 0.00 N ATOM 270 CZ ARG A 20 3.108 -7.556 -15.289 1.00 0.00 C ATOM 271 NH1 ARG A 20 2.257 -6.544 -15.170 1.00 0.00 N ATOM 272 NH2 ARG A 20 2.947 -8.637 -14.541 1.00 0.00 N ATOM 0 H ARG A 20 5.758 -2.153 -15.567 1.00 0.00 H new ATOM 0 HA ARG A 20 7.905 -3.612 -16.813 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.749 -5.672 -17.123 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.822 -5.359 -15.400 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.582 -5.225 -15.205 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.419 -4.232 -16.639 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.465 -6.075 -17.555 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.115 -6.620 -17.779 1.00 0.00 H new ATOM 0 HE ARG A 20 4.752 -8.287 -16.211 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.375 -5.708 -15.743 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.485 -6.602 -14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.597 -9.418 -14.627 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.173 -8.688 -13.879 1.00 0.00 H new ATOM 286 N CYS A 21 6.335 -3.662 -18.985 1.00 0.00 N ATOM 287 CA CYS A 21 5.741 -3.224 -20.236 1.00 0.00 C ATOM 288 C CYS A 21 4.530 -4.060 -20.547 1.00 0.00 C ATOM 289 O CYS A 21 4.603 -5.282 -20.471 1.00 0.00 O ATOM 290 CB CYS A 21 6.745 -3.365 -21.346 1.00 0.00 C ATOM 291 SG CYS A 21 7.611 -1.827 -21.776 1.00 0.00 S ATOM 0 H CYS A 21 6.906 -4.503 -19.066 1.00 0.00 H new ATOM 0 HA CYS A 21 5.443 -2.180 -20.144 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.482 -4.115 -21.059 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.236 -3.741 -22.234 1.00 0.00 H new ATOM 296 N PHE A 22 3.393 -3.438 -20.837 1.00 0.00 N ATOM 297 CA PHE A 22 2.189 -4.208 -21.097 1.00 0.00 C ATOM 298 C PHE A 22 1.914 -4.389 -22.590 1.00 0.00 C ATOM 299 O PHE A 22 0.918 -5.023 -22.962 1.00 0.00 O ATOM 300 CB PHE A 22 1.012 -3.525 -20.386 1.00 0.00 C ATOM 301 CG PHE A 22 1.039 -3.745 -18.903 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.235 -3.643 -18.203 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.119 -4.044 -18.201 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.271 -3.834 -16.839 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.086 -4.241 -16.832 1.00 0.00 C ATOM 306 CZ PHE A 22 1.109 -4.134 -16.151 1.00 0.00 C ATOM 0 H PHE A 22 3.282 -2.426 -20.897 1.00 0.00 H new ATOM 0 HA PHE A 22 2.327 -5.215 -20.704 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.037 -2.455 -20.593 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.075 -3.907 -20.791 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.146 -3.411 -18.734 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.058 -4.124 -18.729 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.207 -3.749 -16.307 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.994 -4.478 -16.297 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.137 -4.284 -15.082 1.00 0.00 H new ATOM 316 N GLY A 23 2.807 -3.866 -23.431 1.00 0.00 N ATOM 317 CA GLY A 23 2.625 -4.054 -24.860 1.00 0.00 C ATOM 318 C GLY A 23 2.952 -2.873 -25.755 1.00 0.00 C ATOM 319 O GLY A 23 3.900 -2.949 -26.543 1.00 0.00 O ATOM 0 H GLY A 23 3.631 -3.330 -23.158 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.241 -4.897 -25.172 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.587 -4.335 -25.036 1.00 0.00 H new ATOM 323 N PRO A 24 2.154 -1.786 -25.735 1.00 0.00 N ATOM 324 CA PRO A 24 2.358 -0.660 -26.629 1.00 0.00 C ATOM 325 C PRO A 24 3.047 0.522 -25.976 1.00 0.00 C ATOM 326 O PRO A 24 2.386 1.429 -25.471 1.00 0.00 O ATOM 327 CB PRO A 24 0.915 -0.324 -26.980 1.00 0.00 C ATOM 328 CG PRO A 24 0.155 -0.572 -25.717 1.00 0.00 C ATOM 329 CD PRO A 24 0.945 -1.578 -24.910 1.00 0.00 C ATOM 0 HA PRO A 24 3.011 -0.892 -27.470 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.817 0.712 -27.306 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.548 -0.950 -27.793 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.026 0.354 -25.157 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.842 -0.953 -25.937 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.192 -1.196 -23.919 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.390 -2.505 -24.765 1.00 0.00 H new ATOM 337 N SER A 25 4.381 0.518 -25.983 1.00 0.00 N ATOM 338 CA SER A 25 5.141 1.614 -25.378 1.00 0.00 C ATOM 339 C SER A 25 4.666 1.868 -23.956 1.00 0.00 C ATOM 340 O SER A 25 4.806 2.971 -23.435 1.00 0.00 O ATOM 341 CB SER A 25 4.951 2.892 -26.196 1.00 0.00 C ATOM 342 OG SER A 25 6.042 3.779 -26.022 1.00 0.00 O ATOM 0 H SER A 25 4.951 -0.221 -26.395 1.00 0.00 H new ATOM 0 HA SER A 25 6.194 1.334 -25.364 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.849 2.639 -27.251 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.027 3.385 -25.895 1.00 0.00 H new ATOM 0 HG SER A 25 5.895 4.587 -26.557 1.00 0.00 H new ATOM 348 N ILE A 26 4.045 0.860 -23.360 1.00 0.00 N ATOM 349 CA ILE A 26 3.484 1.012 -22.039 1.00 0.00 C ATOM 350 C ILE A 26 4.334 0.392 -20.937 1.00 0.00 C ATOM 351 O ILE A 26 5.084 -0.557 -21.145 1.00 0.00 O ATOM 352 CB ILE A 26 2.041 0.464 -22.006 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.168 1.363 -21.171 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.976 -0.933 -21.443 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.258 1.366 -21.668 1.00 0.00 C ATOM 0 H ILE A 26 3.921 -0.064 -23.773 1.00 0.00 H new ATOM 0 HA ILE A 26 3.469 2.081 -21.829 1.00 0.00 H new ATOM 0 HB ILE A 26 1.687 0.435 -23.036 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.192 1.033 -20.132 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.564 2.378 -21.192 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.941 -1.276 -21.440 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.578 -1.602 -22.058 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.361 -0.933 -20.423 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.860 2.025 -21.042 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.283 1.721 -22.698 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.661 0.354 -21.622 1.00 0.00 H new ATOM 367 N CYS A 27 4.157 0.961 -19.766 1.00 0.00 N ATOM 368 CA CYS A 27 4.838 0.587 -18.570 1.00 0.00 C ATOM 369 C CYS A 27 3.865 0.681 -17.392 1.00 0.00 C ATOM 370 O CYS A 27 3.150 1.670 -17.256 1.00 0.00 O ATOM 371 CB CYS A 27 5.944 1.602 -18.351 1.00 0.00 C ATOM 372 SG CYS A 27 7.560 1.251 -19.132 1.00 0.00 S ATOM 0 H CYS A 27 3.502 1.731 -19.627 1.00 0.00 H new ATOM 0 HA CYS A 27 5.230 -0.427 -18.647 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.594 2.568 -18.716 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.102 1.705 -17.277 1.00 0.00 H new ATOM 377 N CYS A 28 3.853 -0.321 -16.539 1.00 0.00 N ATOM 378 CA CYS A 28 2.993 -0.324 -15.377 1.00 0.00 C ATOM 379 C CYS A 28 3.785 -0.803 -14.185 1.00 0.00 C ATOM 380 O CYS A 28 4.230 -1.951 -14.144 1.00 0.00 O ATOM 381 CB CYS A 28 1.775 -1.217 -15.596 1.00 0.00 C ATOM 382 SG CYS A 28 0.252 -0.609 -14.813 1.00 0.00 S ATOM 0 H CYS A 28 4.437 -1.152 -16.631 1.00 0.00 H new ATOM 0 HA CYS A 28 2.631 0.689 -15.200 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.603 -1.320 -16.667 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.995 -2.213 -15.211 1.00 0.00 H new ATOM 387 N GLY A 29 3.962 0.073 -13.216 1.00 0.00 N ATOM 388 CA GLY A 29 4.689 -0.263 -12.050 1.00 0.00 C ATOM 389 C GLY A 29 3.767 -0.409 -10.851 1.00 0.00 C ATOM 390 O GLY A 29 2.625 0.049 -10.898 1.00 0.00 O ATOM 0 H GLY A 29 3.601 1.027 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.230 -1.195 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.434 0.507 -11.848 1.00 0.00 H new ATOM 394 N ASP A 30 4.241 -1.029 -9.776 1.00 0.00 N ATOM 395 CA ASP A 30 3.427 -1.193 -8.594 1.00 0.00 C ATOM 396 C ASP A 30 3.257 0.173 -7.947 1.00 0.00 C ATOM 397 O ASP A 30 2.264 0.866 -8.186 1.00 0.00 O ATOM 398 CB ASP A 30 4.068 -2.189 -7.618 1.00 0.00 C ATOM 399 CG ASP A 30 3.210 -3.419 -7.401 1.00 0.00 C ATOM 400 OD1 ASP A 30 2.989 -4.168 -8.375 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.759 -3.636 -6.256 1.00 0.00 O ATOM 0 H ASP A 30 5.180 -1.422 -9.706 1.00 0.00 H new ATOM 0 HA ASP A 30 2.453 -1.599 -8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.043 -2.492 -8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.240 -1.696 -6.661 1.00 0.00 H new ATOM 406 N GLU A 31 4.264 0.588 -7.194 1.00 0.00 N ATOM 407 CA GLU A 31 4.279 1.898 -6.583 1.00 0.00 C ATOM 408 C GLU A 31 4.498 2.961 -7.671 1.00 0.00 C ATOM 409 O GLU A 31 4.707 4.138 -7.388 1.00 0.00 O ATOM 410 CB GLU A 31 5.435 1.965 -5.586 1.00 0.00 C ATOM 411 CG GLU A 31 6.804 1.778 -6.242 1.00 0.00 C ATOM 412 CD GLU A 31 7.785 2.869 -5.860 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.714 3.970 -6.454 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.626 2.628 -4.971 1.00 0.00 O ATOM 0 H GLU A 31 5.090 0.024 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 31 3.333 2.080 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.412 2.928 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.296 1.197 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.212 0.809 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.685 1.764 -7.325 1.00 0.00 H new ATOM 421 N LEU A 32 4.556 2.475 -8.903 1.00 0.00 N ATOM 422 CA LEU A 32 4.867 3.250 -10.068 1.00 0.00 C ATOM 423 C LEU A 32 3.659 3.685 -10.889 1.00 0.00 C ATOM 424 O LEU A 32 3.728 4.652 -11.645 1.00 0.00 O ATOM 425 CB LEU A 32 5.732 2.333 -10.879 1.00 0.00 C ATOM 426 CG LEU A 32 7.042 2.843 -11.399 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.426 1.991 -12.577 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.001 4.319 -11.767 1.00 0.00 C ATOM 0 H LEU A 32 4.379 1.493 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 32 5.336 4.190 -9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.939 1.452 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.146 1.998 -11.735 1.00 0.00 H new ATOM 0 HG LEU A 32 7.792 2.770 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.378 2.336 -12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.522 0.953 -12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.657 2.066 -13.346 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.978 4.629 -12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.252 4.480 -12.542 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.743 4.907 -10.886 1.00 0.00 H new ATOM 440 N GLY A 33 2.567 2.983 -10.731 1.00 0.00 N ATOM 441 CA GLY A 33 1.364 3.303 -11.461 1.00 0.00 C ATOM 442 C GLY A 33 1.395 2.753 -12.865 1.00 0.00 C ATOM 443 O GLY A 33 2.070 1.758 -13.132 1.00 0.00 O ATOM 0 H GLY A 33 2.484 2.184 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.500 2.900 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.239 4.385 -11.498 1.00 0.00 H new ATOM 447 N CYS A 34 0.650 3.378 -13.759 1.00 0.00 N ATOM 448 CA CYS A 34 0.586 2.909 -15.147 1.00 0.00 C ATOM 449 C CYS A 34 0.742 4.042 -16.168 1.00 0.00 C ATOM 450 O CYS A 34 -0.121 4.913 -16.283 1.00 0.00 O ATOM 451 CB CYS A 34 -0.735 2.190 -15.384 1.00 0.00 C ATOM 452 SG CYS A 34 -0.562 0.589 -16.232 1.00 0.00 S ATOM 0 H CYS A 34 0.084 4.203 -13.560 1.00 0.00 H new ATOM 0 HA CYS A 34 1.425 2.228 -15.292 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.228 2.031 -14.425 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.387 2.834 -15.974 1.00 0.00 H new ATOM 457 N PHE A 35 1.853 4.011 -16.911 1.00 0.00 N ATOM 458 CA PHE A 35 2.140 5.025 -17.936 1.00 0.00 C ATOM 459 C PHE A 35 2.062 4.420 -19.335 1.00 0.00 C ATOM 460 O PHE A 35 2.258 3.221 -19.509 1.00 0.00 O ATOM 461 CB PHE A 35 3.550 5.622 -17.774 1.00 0.00 C ATOM 462 CG PHE A 35 4.120 5.560 -16.387 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.434 4.340 -15.812 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.353 6.719 -15.665 1.00 0.00 C ATOM 465 CE1 PHE A 35 4.968 4.274 -14.544 1.00 0.00 C ATOM 466 CE2 PHE A 35 4.890 6.660 -14.394 1.00 0.00 C ATOM 467 CZ PHE A 35 5.196 5.435 -13.834 1.00 0.00 C ATOM 0 H PHE A 35 2.572 3.293 -16.823 1.00 0.00 H new ATOM 0 HA PHE A 35 1.391 5.806 -17.808 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.227 5.100 -18.450 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.523 6.664 -18.091 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.258 3.429 -16.365 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.112 7.678 -16.100 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.208 3.316 -14.107 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.070 7.569 -13.839 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.614 5.386 -12.839 1.00 0.00 H new ATOM 477 N VAL A 36 1.833 5.272 -20.334 1.00 0.00 N ATOM 478 CA VAL A 36 1.795 4.830 -21.725 1.00 0.00 C ATOM 479 C VAL A 36 2.671 5.729 -22.573 1.00 0.00 C ATOM 480 O VAL A 36 2.264 6.818 -22.979 1.00 0.00 O ATOM 481 CB VAL A 36 0.388 4.813 -22.344 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.377 3.912 -23.570 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.652 4.357 -21.339 1.00 0.00 C ATOM 0 H VAL A 36 1.671 6.271 -20.205 1.00 0.00 H new ATOM 0 HA VAL A 36 2.156 3.802 -21.714 1.00 0.00 H new ATOM 0 HB VAL A 36 0.132 5.829 -22.643 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.622 3.903 -24.006 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.090 4.288 -24.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.656 2.899 -23.280 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.636 4.356 -21.808 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.412 3.350 -20.998 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.657 5.037 -20.487 1.00 0.00 H new ATOM 493 N GLY A 37 3.878 5.264 -22.828 1.00 0.00 N ATOM 494 CA GLY A 37 4.818 6.032 -23.626 1.00 0.00 C ATOM 495 C GLY A 37 5.463 7.165 -22.841 1.00 0.00 C ATOM 496 O GLY A 37 6.402 7.804 -23.321 1.00 0.00 O ATOM 0 H GLY A 37 4.231 4.366 -22.498 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.596 5.368 -24.004 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.301 6.444 -24.493 1.00 0.00 H new ATOM 500 N THR A 38 4.959 7.415 -21.635 1.00 0.00 N ATOM 501 CA THR A 38 5.487 8.473 -20.776 1.00 0.00 C ATOM 502 C THR A 38 6.979 8.270 -20.515 1.00 0.00 C ATOM 503 O THR A 38 7.566 7.291 -20.976 1.00 0.00 O ATOM 504 CB THR A 38 4.732 8.485 -19.444 1.00 0.00 C ATOM 505 OG1 THR A 38 3.334 8.415 -19.658 1.00 0.00 O ATOM 506 CG2 THR A 38 5.004 9.712 -18.602 1.00 0.00 C ATOM 0 H THR A 38 4.181 6.896 -21.228 1.00 0.00 H new ATOM 0 HA THR A 38 5.350 9.427 -21.285 1.00 0.00 H new ATOM 0 HB THR A 38 5.097 7.610 -18.905 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.865 8.582 -18.814 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.435 9.650 -17.674 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.068 9.767 -18.372 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.705 10.604 -19.152 1.00 0.00 H new ATOM 514 N ALA A 39 7.583 9.186 -19.757 1.00 0.00 N ATOM 515 CA ALA A 39 9.003 9.085 -19.423 1.00 0.00 C ATOM 516 C ALA A 39 9.279 7.768 -18.723 1.00 0.00 C ATOM 517 O ALA A 39 10.090 6.989 -19.172 1.00 0.00 O ATOM 518 CB ALA A 39 9.432 10.256 -18.553 1.00 0.00 C ATOM 0 H ALA A 39 7.113 10.002 -19.365 1.00 0.00 H new ATOM 0 HA ALA A 39 9.584 9.118 -20.345 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.492 10.163 -18.315 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.261 11.189 -19.089 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.851 10.256 -17.630 1.00 0.00 H new ATOM 524 N GLU A 40 8.571 7.513 -17.639 1.00 0.00 N ATOM 525 CA GLU A 40 8.711 6.268 -16.900 1.00 0.00 C ATOM 526 C GLU A 40 8.161 5.086 -17.713 1.00 0.00 C ATOM 527 O GLU A 40 7.971 3.992 -17.187 1.00 0.00 O ATOM 528 CB GLU A 40 7.988 6.363 -15.571 1.00 0.00 C ATOM 529 CG GLU A 40 8.915 6.457 -14.371 1.00 0.00 C ATOM 530 CD GLU A 40 9.090 7.879 -13.881 1.00 0.00 C ATOM 531 OE1 GLU A 40 9.921 8.609 -14.462 1.00 0.00 O ATOM 532 OE2 GLU A 40 8.393 8.264 -12.921 1.00 0.00 O ATOM 0 H GLU A 40 7.886 8.158 -17.246 1.00 0.00 H new ATOM 0 HA GLU A 40 9.772 6.098 -16.717 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.337 7.237 -15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.346 5.490 -15.454 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.519 5.844 -13.562 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.889 6.045 -14.636 1.00 0.00 H new ATOM 539 N ALA A 41 7.873 5.330 -18.994 1.00 0.00 N ATOM 540 CA ALA A 41 7.299 4.311 -19.868 1.00 0.00 C ATOM 541 C ALA A 41 8.147 3.998 -21.101 1.00 0.00 C ATOM 542 O ALA A 41 7.866 3.036 -21.836 1.00 0.00 O ATOM 543 CB ALA A 41 5.961 4.801 -20.329 1.00 0.00 C ATOM 0 H ALA A 41 8.030 6.230 -19.448 1.00 0.00 H new ATOM 0 HA ALA A 41 7.238 3.390 -19.289 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.508 4.058 -20.985 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.316 4.964 -19.466 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.084 5.738 -20.872 1.00 0.00 H new ATOM 549 N LEU A 42 9.215 4.742 -21.299 1.00 0.00 N ATOM 550 CA LEU A 42 10.117 4.489 -22.392 1.00 0.00 C ATOM 551 C LEU A 42 10.821 3.143 -22.207 1.00 0.00 C ATOM 552 O LEU A 42 11.506 2.653 -23.108 1.00 0.00 O ATOM 553 CB LEU A 42 11.148 5.624 -22.462 1.00 0.00 C ATOM 554 CG LEU A 42 11.761 6.078 -21.116 1.00 0.00 C ATOM 555 CD1 LEU A 42 11.607 5.018 -20.028 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.227 6.444 -21.303 1.00 0.00 C ATOM 0 H LEU A 42 9.477 5.532 -20.709 1.00 0.00 H new ATOM 0 HA LEU A 42 9.553 4.449 -23.324 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.959 5.309 -23.118 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.675 6.487 -22.931 1.00 0.00 H new ATOM 0 HG LEU A 42 11.212 6.959 -20.785 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.052 5.381 -19.101 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.549 4.813 -19.867 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.110 4.102 -20.338 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.647 6.762 -20.349 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.775 5.576 -21.670 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.310 7.257 -22.025 1.00 0.00 H new ATOM 568 N ARG A 43 10.658 2.581 -21.010 1.00 0.00 N ATOM 569 CA ARG A 43 11.268 1.319 -20.631 1.00 0.00 C ATOM 570 C ARG A 43 11.048 0.218 -21.655 1.00 0.00 C ATOM 571 O ARG A 43 11.738 -0.805 -21.633 1.00 0.00 O ATOM 572 CB ARG A 43 10.729 0.870 -19.292 1.00 0.00 C ATOM 573 CG ARG A 43 11.802 0.714 -18.217 1.00 0.00 C ATOM 574 CD ARG A 43 12.791 1.879 -18.224 1.00 0.00 C ATOM 575 NE ARG A 43 13.739 1.815 -17.114 1.00 0.00 N ATOM 576 CZ ARG A 43 14.872 2.514 -17.063 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.210 3.322 -18.062 1.00 0.00 N ATOM 578 NH2 ARG A 43 15.672 2.404 -16.011 1.00 0.00 N ATOM 0 H ARG A 43 10.091 2.998 -20.272 1.00 0.00 H new ATOM 0 HA ARG A 43 12.342 1.497 -20.574 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.987 1.591 -18.949 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.214 -0.082 -19.419 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.328 0.647 -17.238 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.341 -0.220 -18.375 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.339 1.880 -19.166 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.241 2.819 -18.174 1.00 0.00 H new ATOM 0 HE ARG A 43 13.520 1.198 -16.331 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.600 3.410 -18.875 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.079 3.854 -18.016 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.420 1.784 -15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.539 2.939 -15.972 1.00 0.00 H new ATOM 592 N CYS A 44 10.098 0.427 -22.549 1.00 0.00 N ATOM 593 CA CYS A 44 9.812 -0.573 -23.560 1.00 0.00 C ATOM 594 C CYS A 44 10.946 -0.686 -24.556 1.00 0.00 C ATOM 595 O CYS A 44 11.045 -1.675 -25.288 1.00 0.00 O ATOM 596 CB CYS A 44 8.482 -0.319 -24.235 1.00 0.00 C ATOM 597 SG CYS A 44 7.193 -1.513 -23.746 1.00 0.00 S ATOM 0 H CYS A 44 9.520 1.266 -22.596 1.00 0.00 H new ATOM 0 HA CYS A 44 9.729 -1.537 -23.058 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.145 0.689 -23.994 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.616 -0.360 -25.316 1.00 0.00 H new ATOM 602 N GLN A 45 11.846 0.289 -24.534 1.00 0.00 N ATOM 603 CA GLN A 45 13.014 0.239 -25.382 1.00 0.00 C ATOM 604 C GLN A 45 13.842 -0.977 -24.964 1.00 0.00 C ATOM 605 O GLN A 45 14.599 -1.556 -25.741 1.00 0.00 O ATOM 606 CB GLN A 45 13.836 1.518 -25.243 1.00 0.00 C ATOM 607 CG GLN A 45 13.837 2.381 -26.495 1.00 0.00 C ATOM 608 CD GLN A 45 13.048 3.664 -26.323 1.00 0.00 C ATOM 609 OE1 GLN A 45 12.124 3.948 -27.092 1.00 0.00 O ATOM 610 NE2 GLN A 45 13.402 4.445 -25.310 1.00 0.00 N ATOM 0 H GLN A 45 11.784 1.116 -23.940 1.00 0.00 H new ATOM 0 HA GLN A 45 12.716 0.154 -26.427 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.445 2.102 -24.410 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.864 1.254 -24.993 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.865 2.625 -26.762 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.419 1.811 -27.325 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.172 4.171 -24.700 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.904 5.319 -25.142 1.00 0.00 H new ATOM 619 N GLU A 46 13.625 -1.353 -23.704 1.00 0.00 N ATOM 620 CA GLU A 46 14.250 -2.486 -23.083 1.00 0.00 C ATOM 621 C GLU A 46 13.613 -3.778 -23.590 1.00 0.00 C ATOM 622 O GLU A 46 14.158 -4.869 -23.407 1.00 0.00 O ATOM 623 CB GLU A 46 14.032 -2.357 -21.588 1.00 0.00 C ATOM 624 CG GLU A 46 15.060 -1.482 -20.907 1.00 0.00 C ATOM 625 CD GLU A 46 14.879 -1.431 -19.402 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.778 -1.053 -18.947 1.00 0.00 O ATOM 627 OE2 GLU A 46 15.840 -1.763 -18.679 1.00 0.00 O ATOM 0 H GLU A 46 12.989 -0.854 -23.082 1.00 0.00 H new ATOM 0 HA GLU A 46 15.314 -2.516 -23.319 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.039 -1.947 -21.407 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.054 -3.349 -21.138 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.058 -1.855 -21.137 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.996 -0.472 -21.311 1.00 0.00 H new ATOM 634 N GLU A 47 12.454 -3.641 -24.239 1.00 0.00 N ATOM 635 CA GLU A 47 11.744 -4.797 -24.780 1.00 0.00 C ATOM 636 C GLU A 47 12.402 -5.295 -26.069 1.00 0.00 C ATOM 637 O GLU A 47 11.910 -6.226 -26.706 1.00 0.00 O ATOM 638 CB GLU A 47 10.281 -4.439 -25.050 1.00 0.00 C ATOM 639 CG GLU A 47 9.291 -5.327 -24.315 1.00 0.00 C ATOM 640 CD GLU A 47 8.702 -6.404 -25.205 1.00 0.00 C ATOM 641 OE1 GLU A 47 8.486 -6.131 -26.405 1.00 0.00 O ATOM 642 OE2 GLU A 47 8.456 -7.521 -24.702 1.00 0.00 O ATOM 0 H GLU A 47 11.992 -2.746 -24.401 1.00 0.00 H new ATOM 0 HA GLU A 47 11.790 -5.596 -24.040 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.110 -3.402 -24.761 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.091 -4.507 -26.121 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.789 -5.795 -23.466 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.486 -4.712 -23.913 1.00 0.00 H new ATOM 649 N ASN A 48 13.516 -4.670 -26.448 1.00 0.00 N ATOM 650 CA ASN A 48 14.233 -5.040 -27.641 1.00 0.00 C ATOM 651 C ASN A 48 15.605 -5.632 -27.313 1.00 0.00 C ATOM 652 O ASN A 48 16.449 -5.784 -28.196 1.00 0.00 O ATOM 653 CB ASN A 48 14.390 -3.833 -28.567 1.00 0.00 C ATOM 654 CG ASN A 48 13.985 -4.142 -29.995 1.00 0.00 C ATOM 655 OD1 ASN A 48 14.056 -5.287 -30.437 1.00 0.00 O ATOM 656 ND2 ASN A 48 13.560 -3.117 -30.724 1.00 0.00 N ATOM 0 H ASN A 48 13.936 -3.897 -25.931 1.00 0.00 H new ATOM 0 HA ASN A 48 13.649 -5.807 -28.150 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.784 -3.009 -28.191 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.427 -3.499 -28.551 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.276 -3.263 -31.693 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.518 -2.183 -30.315 1.00 0.00 H new ATOM 663 N TYR A 49 15.823 -5.957 -26.041 1.00 0.00 N ATOM 664 CA TYR A 49 17.097 -6.522 -25.606 1.00 0.00 C ATOM 665 C TYR A 49 17.015 -8.040 -25.478 1.00 0.00 C ATOM 666 O TYR A 49 17.712 -8.770 -26.182 1.00 0.00 O ATOM 667 CB TYR A 49 17.518 -5.909 -24.270 1.00 0.00 C ATOM 668 CG TYR A 49 17.984 -4.475 -24.383 1.00 0.00 C ATOM 669 CD1 TYR A 49 18.941 -4.107 -25.320 1.00 0.00 C ATOM 670 CD2 TYR A 49 17.464 -3.489 -23.553 1.00 0.00 C ATOM 671 CE1 TYR A 49 19.369 -2.798 -25.426 1.00 0.00 C ATOM 672 CE2 TYR A 49 17.887 -2.176 -23.654 1.00 0.00 C ATOM 673 CZ TYR A 49 18.838 -1.837 -24.592 1.00 0.00 C ATOM 674 OH TYR A 49 19.262 -0.531 -24.695 1.00 0.00 O ATOM 0 H TYR A 49 15.136 -5.839 -25.296 1.00 0.00 H new ATOM 0 HA TYR A 49 17.844 -6.284 -26.363 1.00 0.00 H new ATOM 0 HB2 TYR A 49 16.678 -5.956 -23.577 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.319 -6.510 -23.840 1.00 0.00 H new ATOM 0 HD1 TYR A 49 19.357 -4.857 -25.977 1.00 0.00 H new ATOM 0 HD2 TYR A 49 16.718 -3.752 -22.818 1.00 0.00 H new ATOM 0 HE1 TYR A 49 20.116 -2.529 -26.158 1.00 0.00 H new ATOM 0 HE2 TYR A 49 17.474 -1.421 -23.002 1.00 0.00 H new ATOM 0 HH TYR A 49 18.789 0.019 -24.037 1.00 0.00 H new ATOM 684 N LEU A 50 16.165 -8.511 -24.571 1.00 0.00 N ATOM 685 CA LEU A 50 16.001 -9.944 -24.350 1.00 0.00 C ATOM 686 C LEU A 50 14.522 -10.323 -24.276 1.00 0.00 C ATOM 687 O LEU A 50 13.843 -10.001 -23.301 1.00 0.00 O ATOM 688 CB LEU A 50 16.712 -10.366 -23.063 1.00 0.00 C ATOM 689 CG LEU A 50 17.209 -11.812 -23.041 1.00 0.00 C ATOM 690 CD1 LEU A 50 18.003 -12.084 -21.774 1.00 0.00 C ATOM 691 CD2 LEU A 50 16.040 -12.778 -23.158 1.00 0.00 C ATOM 0 H LEU A 50 15.580 -7.923 -23.978 1.00 0.00 H new ATOM 0 HA LEU A 50 16.448 -10.468 -25.195 1.00 0.00 H new ATOM 0 HB2 LEU A 50 17.562 -9.703 -22.902 1.00 0.00 H new ATOM 0 HB3 LEU A 50 16.031 -10.220 -22.225 1.00 0.00 H new ATOM 0 HG LEU A 50 17.867 -11.964 -23.897 1.00 0.00 H new ATOM 0 HD11 LEU A 50 18.348 -13.118 -21.776 1.00 0.00 H new ATOM 0 HD12 LEU A 50 18.862 -11.414 -21.732 1.00 0.00 H new ATOM 0 HD13 LEU A 50 17.369 -11.915 -20.904 1.00 0.00 H new ATOM 0 HD21 LEU A 50 16.412 -13.803 -23.141 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.357 -12.626 -22.322 1.00 0.00 H new ATOM 0 HD23 LEU A 50 15.513 -12.599 -24.095 1.00 0.00 H new ATOM 703 N PRO A 51 13.996 -11.017 -25.309 1.00 0.00 N ATOM 704 CA PRO A 51 12.587 -11.436 -25.354 1.00 0.00 C ATOM 705 C PRO A 51 12.100 -12.046 -24.041 1.00 0.00 C ATOM 706 O PRO A 51 12.643 -13.047 -23.571 1.00 0.00 O ATOM 707 CB PRO A 51 12.588 -12.483 -26.463 1.00 0.00 C ATOM 708 CG PRO A 51 13.616 -11.973 -27.401 1.00 0.00 C ATOM 709 CD PRO A 51 14.721 -11.449 -26.525 1.00 0.00 C ATOM 0 HA PRO A 51 11.915 -10.595 -25.525 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.843 -13.473 -26.084 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.612 -12.566 -26.940 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.976 -12.764 -28.059 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.212 -11.187 -28.039 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.461 -12.218 -26.303 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.252 -10.621 -26.995 1.00 0.00 H new ATOM 717 N SER A 52 11.074 -11.439 -23.457 1.00 0.00 N ATOM 718 CA SER A 52 10.511 -11.923 -22.202 1.00 0.00 C ATOM 719 C SER A 52 9.054 -11.477 -22.051 1.00 0.00 C ATOM 720 O SER A 52 8.670 -10.917 -21.019 1.00 0.00 O ATOM 721 CB SER A 52 11.348 -11.425 -21.021 1.00 0.00 C ATOM 722 OG SER A 52 11.938 -10.170 -21.308 1.00 0.00 O ATOM 0 H SER A 52 10.614 -10.610 -23.833 1.00 0.00 H new ATOM 0 HA SER A 52 10.532 -13.013 -22.213 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.719 -11.340 -20.135 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.127 -12.152 -20.791 1.00 0.00 H new ATOM 0 HG SER A 52 12.657 -10.289 -21.964 1.00 0.00 H new ATOM 728 N PRO A 53 8.208 -11.717 -23.076 1.00 0.00 N ATOM 729 CA PRO A 53 6.797 -11.331 -23.040 1.00 0.00 C ATOM 730 C PRO A 53 5.959 -12.323 -22.240 1.00 0.00 C ATOM 731 O PRO A 53 4.956 -12.855 -22.730 1.00 0.00 O ATOM 732 CB PRO A 53 6.373 -11.349 -24.520 1.00 0.00 C ATOM 733 CG PRO A 53 7.599 -11.711 -25.305 1.00 0.00 C ATOM 734 CD PRO A 53 8.543 -12.370 -24.345 1.00 0.00 C ATOM 0 HA PRO A 53 6.651 -10.364 -22.558 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.576 -12.074 -24.687 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.989 -10.376 -24.826 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.349 -12.383 -26.126 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.052 -10.824 -25.747 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.390 -13.448 -24.300 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.584 -12.208 -24.623 1.00 0.00 H new ATOM 742 N CYS A 54 6.361 -12.563 -20.999 1.00 0.00 N ATOM 743 CA CYS A 54 5.679 -13.468 -20.118 1.00 0.00 C ATOM 744 C CYS A 54 4.798 -12.684 -19.137 1.00 0.00 C ATOM 745 O CYS A 54 5.316 -12.023 -18.241 1.00 0.00 O ATOM 746 CB CYS A 54 6.697 -14.331 -19.346 1.00 0.00 C ATOM 747 SG CYS A 54 8.470 -13.899 -19.573 1.00 0.00 S ATOM 0 H CYS A 54 7.181 -12.123 -20.582 1.00 0.00 H new ATOM 0 HA CYS A 54 5.045 -14.125 -20.713 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.463 -14.268 -18.283 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.558 -15.371 -19.642 1.00 0.00 H new ATOM 752 N GLN A 55 3.469 -12.770 -19.312 1.00 0.00 N ATOM 753 CA GLN A 55 2.503 -12.063 -18.452 1.00 0.00 C ATOM 754 C GLN A 55 1.132 -11.971 -19.139 1.00 0.00 C ATOM 755 O GLN A 55 0.835 -12.746 -20.048 1.00 0.00 O ATOM 756 CB GLN A 55 3.004 -10.644 -18.095 1.00 0.00 C ATOM 757 CG GLN A 55 3.045 -9.686 -19.278 1.00 0.00 C ATOM 758 CD GLN A 55 4.221 -9.946 -20.198 1.00 0.00 C ATOM 759 OE1 GLN A 55 4.047 -10.235 -21.381 1.00 0.00 O ATOM 760 NE2 GLN A 55 5.430 -9.843 -19.658 1.00 0.00 N ATOM 0 H GLN A 55 3.035 -13.327 -20.048 1.00 0.00 H new ATOM 0 HA GLN A 55 2.403 -12.636 -17.530 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.358 -10.225 -17.324 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.004 -10.720 -17.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.118 -9.775 -19.845 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.096 -8.661 -18.910 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.529 -9.601 -18.672 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.259 -10.006 -20.229 1.00 0.00 H new ATOM 769 N SER A 56 0.305 -11.012 -18.705 1.00 0.00 N ATOM 770 CA SER A 56 -1.020 -10.811 -19.278 1.00 0.00 C ATOM 771 C SER A 56 -1.745 -9.644 -18.599 1.00 0.00 C ATOM 772 O SER A 56 -1.144 -8.891 -17.833 1.00 0.00 O ATOM 773 CB SER A 56 -1.849 -12.092 -19.168 1.00 0.00 C ATOM 774 OG SER A 56 -2.572 -12.137 -17.950 1.00 0.00 O ATOM 0 H SER A 56 0.538 -10.362 -17.954 1.00 0.00 H new ATOM 0 HA SER A 56 -0.897 -10.563 -20.332 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.542 -12.152 -20.007 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.192 -12.959 -19.235 1.00 0.00 H new ATOM 0 HG SER A 56 -3.529 -12.034 -18.134 1.00 0.00 H new ATOM 780 N GLY A 57 -3.039 -9.506 -18.885 1.00 0.00 N ATOM 781 CA GLY A 57 -3.826 -8.432 -18.294 1.00 0.00 C ATOM 782 C GLY A 57 -4.445 -8.832 -16.970 1.00 0.00 C ATOM 783 O GLY A 57 -4.627 -10.017 -16.699 1.00 0.00 O ATOM 0 H GLY A 57 -3.557 -10.118 -19.515 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.191 -7.559 -18.146 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.615 -8.139 -18.987 1.00 0.00 H new ATOM 787 N GLN A 58 -4.748 -7.845 -16.130 1.00 0.00 N ATOM 788 CA GLN A 58 -5.316 -8.114 -14.823 1.00 0.00 C ATOM 789 C GLN A 58 -6.678 -7.456 -14.608 1.00 0.00 C ATOM 790 O GLN A 58 -7.072 -6.579 -15.356 1.00 0.00 O ATOM 791 CB GLN A 58 -4.358 -7.649 -13.757 1.00 0.00 C ATOM 792 CG GLN A 58 -3.681 -8.798 -13.042 1.00 0.00 C ATOM 793 CD GLN A 58 -4.222 -9.020 -11.644 1.00 0.00 C ATOM 794 OE1 GLN A 58 -5.330 -9.521 -11.470 1.00 0.00 O ATOM 795 NE2 GLN A 58 -3.438 -8.648 -10.639 1.00 0.00 N ATOM 0 H GLN A 58 -4.608 -6.856 -16.336 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.474 -9.191 -14.761 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.600 -7.010 -14.209 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.896 -7.040 -13.030 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.810 -9.710 -13.626 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.610 -8.604 -12.986 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.525 -8.236 -10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.749 -8.774 -9.676 1.00 0.00 H new ATOM 804 N LYS A 59 -7.401 -7.989 -13.617 1.00 0.00 N ATOM 805 CA LYS A 59 -8.800 -7.632 -13.266 1.00 0.00 C ATOM 806 C LYS A 59 -9.302 -6.366 -13.979 1.00 0.00 C ATOM 807 O LYS A 59 -9.172 -5.232 -13.492 1.00 0.00 O ATOM 808 CB LYS A 59 -8.911 -7.431 -11.748 1.00 0.00 C ATOM 809 CG LYS A 59 -8.003 -6.338 -11.210 1.00 0.00 C ATOM 810 CD LYS A 59 -7.120 -6.854 -10.085 1.00 0.00 C ATOM 811 CE LYS A 59 -7.034 -5.855 -8.944 1.00 0.00 C ATOM 812 NZ LYS A 59 -7.592 -6.407 -7.678 1.00 0.00 N ATOM 0 H LYS A 59 -7.021 -8.712 -13.006 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.428 -8.458 -13.600 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.944 -7.190 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.672 -8.369 -11.247 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.379 -5.952 -12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.607 -5.506 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.516 -7.799 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.120 -7.057 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.993 -5.571 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.575 -4.948 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.514 -5.694 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.592 -6.655 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.060 -7.258 -7.406 1.00 0.00 H new ATOM 826 N PRO A 60 -9.806 -6.582 -15.228 1.00 0.00 N ATOM 827 CA PRO A 60 -10.272 -5.529 -16.106 1.00 0.00 C ATOM 828 C PRO A 60 -11.357 -4.603 -15.537 1.00 0.00 C ATOM 829 O PRO A 60 -11.974 -4.881 -14.510 1.00 0.00 O ATOM 830 CB PRO A 60 -10.879 -6.269 -17.302 1.00 0.00 C ATOM 831 CG PRO A 60 -10.231 -7.597 -17.319 1.00 0.00 C ATOM 832 CD PRO A 60 -9.831 -7.892 -15.907 1.00 0.00 C ATOM 0 HA PRO A 60 -9.428 -4.873 -16.318 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.960 -6.362 -17.198 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.693 -5.730 -18.231 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.915 -8.358 -17.696 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.362 -7.596 -17.977 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.540 -8.569 -15.430 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.854 -8.374 -15.867 1.00 0.00 H new ATOM 840 N CYS A 61 -11.585 -3.518 -16.280 1.00 0.00 N ATOM 841 CA CYS A 61 -12.608 -2.541 -15.940 1.00 0.00 C ATOM 842 C CYS A 61 -12.997 -1.654 -17.101 1.00 0.00 C ATOM 843 O CYS A 61 -12.333 -1.592 -18.143 1.00 0.00 O ATOM 844 CB CYS A 61 -12.212 -1.665 -14.762 1.00 0.00 C ATOM 845 SG CYS A 61 -10.496 -1.084 -14.793 1.00 0.00 S ATOM 0 H CYS A 61 -11.065 -3.297 -17.130 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.473 -3.143 -15.662 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.874 -0.799 -14.732 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.376 -2.223 -13.840 1.00 0.00 H new ATOM 850 N GLY A 62 -14.119 -1.000 -16.920 1.00 0.00 N ATOM 851 CA GLY A 62 -14.717 -0.157 -17.920 1.00 0.00 C ATOM 852 C GLY A 62 -14.281 1.285 -17.897 1.00 0.00 C ATOM 853 O GLY A 62 -14.959 2.153 -18.444 1.00 0.00 O ATOM 0 H GLY A 62 -14.652 -1.042 -16.051 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.491 -0.571 -18.902 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.800 -0.193 -17.801 1.00 0.00 H new ATOM 857 N SER A 63 -13.109 1.541 -17.341 1.00 0.00 N ATOM 858 CA SER A 63 -12.555 2.867 -17.334 1.00 0.00 C ATOM 859 C SER A 63 -11.428 2.942 -18.371 1.00 0.00 C ATOM 860 O SER A 63 -10.421 3.623 -18.175 1.00 0.00 O ATOM 861 CB SER A 63 -12.070 3.260 -15.945 1.00 0.00 C ATOM 862 OG SER A 63 -11.922 4.660 -15.836 1.00 0.00 O ATOM 0 H SER A 63 -12.526 0.837 -16.888 1.00 0.00 H new ATOM 0 HA SER A 63 -13.332 3.583 -17.603 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.778 2.907 -15.196 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.117 2.773 -15.738 1.00 0.00 H new ATOM 0 HG SER A 63 -11.436 4.999 -16.616 1.00 0.00 H new ATOM 868 N GLY A 64 -11.635 2.213 -19.486 1.00 0.00 N ATOM 869 CA GLY A 64 -10.680 2.179 -20.566 1.00 0.00 C ATOM 870 C GLY A 64 -9.713 0.996 -20.540 1.00 0.00 C ATOM 871 O GLY A 64 -8.770 0.957 -21.328 1.00 0.00 O ATOM 0 H GLY A 64 -12.466 1.643 -19.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.224 2.163 -21.511 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.101 3.102 -20.547 1.00 0.00 H new ATOM 875 N GLY A 65 -9.911 0.065 -19.611 1.00 0.00 N ATOM 876 CA GLY A 65 -9.024 -1.060 -19.488 1.00 0.00 C ATOM 877 C GLY A 65 -9.013 -1.739 -18.153 1.00 0.00 C ATOM 878 O GLY A 65 -10.041 -1.906 -17.516 1.00 0.00 O ATOM 0 H GLY A 65 -10.679 0.078 -18.940 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.293 -1.795 -20.246 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.011 -0.726 -19.713 1.00 0.00 H new ATOM 882 N ARG A 66 -7.852 -2.257 -17.801 1.00 0.00 N ATOM 883 CA ARG A 66 -7.725 -3.050 -16.603 1.00 0.00 C ATOM 884 C ARG A 66 -7.348 -2.217 -15.403 1.00 0.00 C ATOM 885 O ARG A 66 -7.250 -0.981 -15.494 1.00 0.00 O ATOM 886 CB ARG A 66 -6.702 -4.178 -16.797 1.00 0.00 C ATOM 887 CG ARG A 66 -6.700 -4.789 -18.191 1.00 0.00 C ATOM 888 CD ARG A 66 -8.076 -5.305 -18.578 1.00 0.00 C ATOM 889 NE ARG A 66 -8.017 -6.219 -19.720 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.910 -6.232 -20.711 1.00 0.00 C ATOM 891 NH1 ARG A 66 -9.937 -5.390 -20.701 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.773 -7.087 -21.714 1.00 0.00 N ATOM 0 H ARG A 66 -6.987 -2.141 -18.329 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.706 -3.485 -16.412 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.706 -3.791 -16.581 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.903 -4.964 -16.069 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.374 -4.043 -18.915 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.980 -5.607 -18.229 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.524 -5.817 -17.726 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.724 -4.463 -18.821 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.247 -6.886 -19.760 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.046 -4.728 -19.933 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.616 -5.405 -21.462 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.985 -7.735 -21.728 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.455 -7.097 -22.472 1.00 0.00 H new ATOM 906 N CYS A 67 -7.127 -2.908 -14.272 1.00 0.00 N ATOM 907 CA CYS A 67 -6.741 -2.235 -13.058 1.00 0.00 C ATOM 908 C CYS A 67 -5.256 -1.867 -13.043 1.00 0.00 C ATOM 909 O CYS A 67 -4.539 -2.210 -12.118 1.00 0.00 O ATOM 910 CB CYS A 67 -7.116 -3.071 -11.860 1.00 0.00 C ATOM 911 SG CYS A 67 -6.787 -2.286 -10.258 1.00 0.00 S ATOM 0 H CYS A 67 -7.212 -3.921 -14.191 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.288 -1.294 -13.012 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.177 -3.313 -11.920 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.571 -4.014 -11.906 1.00 0.00 H new ATOM 916 N ALA A 68 -4.819 -1.149 -14.086 1.00 0.00 N ATOM 917 CA ALA A 68 -3.412 -0.702 -14.280 1.00 0.00 C ATOM 918 C ALA A 68 -2.528 -0.768 -13.022 1.00 0.00 C ATOM 919 O ALA A 68 -1.749 -1.704 -12.870 1.00 0.00 O ATOM 920 CB ALA A 68 -3.411 0.715 -14.827 1.00 0.00 C ATOM 0 H ALA A 68 -5.438 -0.851 -14.840 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.969 -1.408 -14.983 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.383 1.049 -14.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.937 0.737 -15.781 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.912 1.378 -14.121 1.00 0.00 H new ATOM 926 N ALA A 69 -2.616 0.238 -12.126 1.00 0.00 N ATOM 927 CA ALA A 69 -1.796 0.279 -10.914 1.00 0.00 C ATOM 928 C ALA A 69 -2.405 1.266 -9.908 1.00 0.00 C ATOM 929 O ALA A 69 -3.019 2.254 -10.304 1.00 0.00 O ATOM 930 CB ALA A 69 -0.380 0.707 -11.241 1.00 0.00 C ATOM 0 H ALA A 69 -3.250 1.030 -12.227 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.771 -0.721 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.213 0.731 -10.327 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.062 -0.002 -11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.395 1.700 -11.690 1.00 0.00 H new ATOM 936 N ALA A 70 -2.259 0.952 -8.608 1.00 0.00 N ATOM 937 CA ALA A 70 -2.831 1.758 -7.497 1.00 0.00 C ATOM 938 C ALA A 70 -4.186 2.304 -7.873 1.00 0.00 C ATOM 939 O ALA A 70 -4.552 3.399 -7.473 1.00 0.00 O ATOM 940 CB ALA A 70 -1.987 2.951 -7.208 1.00 0.00 C ATOM 0 H ALA A 70 -1.742 0.132 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.888 1.092 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.430 3.521 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.986 2.628 -6.923 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.927 3.578 -8.097 1.00 0.00 H new ATOM 946 N GLY A 71 -4.884 1.563 -8.678 1.00 0.00 N ATOM 947 CA GLY A 71 -6.125 2.004 -9.164 1.00 0.00 C ATOM 948 C GLY A 71 -5.944 2.889 -10.380 1.00 0.00 C ATOM 949 O GLY A 71 -5.864 4.109 -10.317 1.00 0.00 O ATOM 0 H GLY A 71 -4.598 0.641 -9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.745 1.146 -9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.651 2.554 -8.384 1.00 0.00 H new ATOM 953 N ILE A 72 -5.973 2.241 -11.494 1.00 0.00 N ATOM 954 CA ILE A 72 -5.914 2.848 -12.753 1.00 0.00 C ATOM 955 C ILE A 72 -6.502 1.904 -13.710 1.00 0.00 C ATOM 956 O ILE A 72 -5.985 0.811 -13.905 1.00 0.00 O ATOM 957 CB ILE A 72 -4.513 3.227 -13.231 1.00 0.00 C ATOM 958 CG1 ILE A 72 -4.118 4.479 -12.503 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.496 3.480 -14.746 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.325 5.417 -13.350 1.00 0.00 C ATOM 0 H ILE A 72 -6.042 1.224 -11.539 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.454 3.792 -12.679 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.817 2.414 -13.027 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.016 4.987 -12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.535 4.212 -11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.487 3.748 -15.059 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.810 2.577 -15.269 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.179 4.295 -14.986 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.069 6.303 -12.769 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.411 4.924 -13.682 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.915 5.710 -14.218 1.00 0.00 H new ATOM 972 N CYS A 73 -7.535 2.339 -14.343 1.00 0.00 N ATOM 973 CA CYS A 73 -8.123 1.542 -15.315 1.00 0.00 C ATOM 974 C CYS A 73 -7.421 1.959 -16.585 1.00 0.00 C ATOM 975 O CYS A 73 -7.595 3.073 -17.077 1.00 0.00 O ATOM 976 CB CYS A 73 -9.616 1.723 -15.221 1.00 0.00 C ATOM 977 SG CYS A 73 -10.576 0.473 -16.091 1.00 0.00 S ATOM 0 H CYS A 73 -7.977 3.246 -14.192 1.00 0.00 H new ATOM 0 HA CYS A 73 -8.009 0.461 -15.228 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.904 1.718 -14.170 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.876 2.704 -15.618 1.00 0.00 H new ATOM 982 N CYS A 74 -6.456 1.128 -16.985 1.00 0.00 N ATOM 983 CA CYS A 74 -5.570 1.480 -18.071 1.00 0.00 C ATOM 984 C CYS A 74 -5.322 0.363 -19.075 1.00 0.00 C ATOM 985 O CYS A 74 -5.096 -0.800 -18.732 1.00 0.00 O ATOM 986 CB CYS A 74 -4.217 1.903 -17.462 1.00 0.00 C ATOM 987 SG CYS A 74 -2.725 1.730 -18.537 1.00 0.00 S ATOM 0 H CYS A 74 -6.277 0.214 -16.569 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.057 2.282 -18.626 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.295 2.946 -17.155 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.054 1.316 -16.558 1.00 0.00 H new ATOM 992 N SER A 75 -5.293 0.794 -20.319 1.00 0.00 N ATOM 993 CA SER A 75 -4.973 -0.071 -21.422 1.00 0.00 C ATOM 994 C SER A 75 -3.844 0.583 -22.237 1.00 0.00 C ATOM 995 O SER A 75 -2.981 1.223 -21.633 1.00 0.00 O ATOM 996 CB SER A 75 -6.226 -0.306 -22.264 1.00 0.00 C ATOM 997 OG SER A 75 -7.236 -0.948 -21.512 1.00 0.00 O ATOM 0 H SER A 75 -5.492 1.757 -20.588 1.00 0.00 H new ATOM 0 HA SER A 75 -4.629 -1.044 -21.072 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.599 0.647 -22.639 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.974 -0.914 -23.133 1.00 0.00 H new ATOM 0 HG SER A 75 -8.108 -0.560 -21.737 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.825 0.539 -23.592 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.803 1.222 -24.360 1.00 0.00 C ATOM 1005 C PRO A 76 -3.310 2.618 -24.706 1.00 0.00 C ATOM 1006 O PRO A 76 -2.541 3.551 -24.902 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.660 0.366 -25.624 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.886 -0.492 -25.686 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.761 -0.115 -24.513 1.00 0.00 C ATOM 0 HA PRO A 76 -1.854 1.337 -23.836 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.578 0.993 -26.512 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.758 -0.245 -25.581 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.416 -0.337 -26.626 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.618 -1.548 -25.642 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.567 0.556 -24.811 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.226 -0.991 -24.060 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.634 2.701 -24.811 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.378 3.924 -25.179 1.00 0.00 C ATOM 1019 C ASP A 77 -5.029 5.008 -24.223 1.00 0.00 C ATOM 1020 O ASP A 77 -4.564 6.079 -24.613 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.884 3.665 -25.169 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.562 4.164 -26.430 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.197 3.699 -27.533 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -8.466 5.021 -26.320 1.00 0.00 O ATOM 0 H ASP A 77 -5.245 1.902 -24.640 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.100 4.225 -26.189 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.066 2.596 -25.060 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.329 4.154 -24.302 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.159 4.692 -22.936 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.733 5.594 -21.898 1.00 0.00 C ATOM 1031 C GLY A 78 -4.911 5.014 -20.524 1.00 0.00 C ATOM 1032 O GLY A 78 -5.818 4.212 -20.294 1.00 0.00 O ATOM 0 H GLY A 78 -5.557 3.815 -22.599 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.684 5.847 -22.049 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.299 6.523 -21.973 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.102 5.461 -19.581 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.247 5.001 -18.195 1.00 0.00 C ATOM 1038 C CYS A 79 -4.760 6.108 -17.343 1.00 0.00 C ATOM 1039 O CYS A 79 -4.451 7.287 -17.557 1.00 0.00 O ATOM 1040 CB CYS A 79 -2.976 4.541 -17.525 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.871 3.571 -18.565 1.00 0.00 S ATOM 0 H CYS A 79 -3.348 6.130 -19.736 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.922 4.149 -18.277 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.436 5.417 -17.166 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.240 3.948 -16.649 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.551 5.730 -16.383 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.134 6.694 -15.483 1.00 0.00 C ATOM 1048 C GLU A 80 -6.503 6.067 -14.150 1.00 0.00 C ATOM 1049 O GLU A 80 -6.990 4.941 -14.111 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.362 7.336 -16.122 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.503 6.356 -16.358 1.00 0.00 C ATOM 1052 CD GLU A 80 -9.852 6.938 -15.991 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -9.989 7.473 -14.865 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.780 6.861 -16.822 1.00 0.00 O ATOM 0 H GLU A 80 -5.811 4.761 -16.199 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.385 7.463 -15.291 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.714 8.145 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.075 7.784 -17.073 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.512 6.059 -17.407 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.329 5.453 -15.773 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.283 6.803 -13.060 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.605 6.325 -11.735 1.00 0.00 C ATOM 1063 C GLU A 81 -8.063 5.938 -11.704 1.00 0.00 C ATOM 1064 O GLU A 81 -8.945 6.767 -11.917 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.288 7.390 -10.680 1.00 0.00 C ATOM 1066 CG GLU A 81 -6.687 8.786 -11.076 1.00 0.00 C ATOM 1067 CD GLU A 81 -7.208 9.610 -9.913 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -6.992 9.199 -8.751 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -7.823 10.662 -10.163 1.00 0.00 O ATOM 0 H GLU A 81 -5.879 7.739 -13.081 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.996 5.452 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.795 7.128 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.218 7.374 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.827 9.292 -11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.455 8.733 -11.848 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.303 4.658 -11.469 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.628 4.159 -11.449 1.00 0.00 C ATOM 1078 C ASP A 82 -10.137 3.984 -10.021 1.00 0.00 C ATOM 1079 O ASP A 82 -9.726 3.087 -9.297 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.759 2.865 -12.296 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.856 1.750 -11.852 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.322 1.849 -10.752 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.715 0.767 -12.604 1.00 0.00 O ATOM 0 H ASP A 82 -7.581 3.960 -11.291 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.273 4.902 -11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.792 2.520 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.542 3.101 -13.338 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.071 4.854 -9.599 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.684 4.786 -8.277 1.00 0.00 C ATOM 1090 C PRO A 83 -12.350 3.437 -8.101 1.00 0.00 C ATOM 1091 O PRO A 83 -12.606 2.957 -6.993 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.711 5.922 -8.313 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.166 6.854 -9.331 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.605 5.951 -10.380 1.00 0.00 C ATOM 0 HA PRO A 83 -10.982 4.890 -7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.701 5.559 -8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.810 6.404 -7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.943 7.502 -9.736 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.398 7.502 -8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.372 5.616 -11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.831 6.444 -10.968 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.532 2.819 -9.248 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.063 1.507 -9.375 1.00 0.00 C ATOM 1104 C ALA A 84 -12.073 0.503 -8.818 1.00 0.00 C ATOM 1105 O ALA A 84 -12.414 -0.632 -8.487 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.296 1.253 -10.850 1.00 0.00 C ATOM 0 H ALA A 84 -12.300 3.246 -10.145 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.997 1.407 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.705 0.252 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.000 1.989 -11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.351 1.336 -11.387 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.834 0.947 -8.756 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.772 0.127 -8.274 1.00 0.00 C ATOM 1114 C CYS A 85 -8.997 0.632 -7.050 1.00 0.00 C ATOM 1115 O CYS A 85 -8.496 -0.227 -6.317 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.799 -0.261 -9.365 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.663 -2.055 -9.550 1.00 0.00 S ATOM 0 H CYS A 85 -10.549 1.884 -9.040 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.317 -0.748 -7.921 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.121 0.177 -10.310 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.817 0.155 -9.139 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.820 1.971 -6.780 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.985 2.314 -5.567 1.00 0.00 C ATOM 1124 C ASP A 86 -7.536 3.765 -5.246 1.00 0.00 C ATOM 1125 O ASP A 86 -7.184 4.018 -4.093 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.649 1.615 -5.729 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.939 1.372 -4.409 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -5.319 2.321 -3.883 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -6.000 0.231 -3.907 1.00 0.00 O ATOM 0 H ASP A 86 -9.196 2.753 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.681 2.036 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.804 0.661 -6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.008 2.215 -6.374 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.376 4.686 -6.202 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.789 5.993 -5.936 1.00 0.00 C ATOM 1136 C PRO A 87 -7.789 7.084 -5.798 1.00 0.00 C ATOM 1137 O PRO A 87 -8.022 7.629 -4.724 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.943 6.237 -7.184 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.334 5.164 -8.126 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.604 4.559 -7.609 1.00 0.00 C ATOM 0 HA PRO A 87 -6.245 5.996 -4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.137 7.223 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.878 6.192 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.480 5.567 -9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.550 4.410 -8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.490 5.101 -7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.730 3.522 -7.920 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.392 7.352 -6.912 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.431 8.355 -6.979 1.00 0.00 C ATOM 1150 C GLU A 88 -10.692 7.726 -6.390 1.00 0.00 C ATOM 1151 O GLU A 88 -11.801 8.262 -6.431 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.673 8.728 -8.441 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.323 10.092 -8.626 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.553 10.441 -10.084 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -10.832 9.516 -10.878 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.450 11.634 -10.433 1.00 0.00 O ATOM 0 H GLU A 88 -8.188 6.892 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.154 9.255 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.721 8.714 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.306 7.969 -8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.277 10.109 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.692 10.855 -8.170 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.435 6.493 -5.989 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.369 5.512 -5.514 1.00 0.00 C ATOM 1165 C ALA A 89 -12.088 5.738 -4.188 1.00 0.00 C ATOM 1166 O ALA A 89 -11.871 6.670 -3.414 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.637 4.176 -5.471 1.00 0.00 C ATOM 0 H ALA A 89 -9.481 6.131 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.195 5.568 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.315 3.401 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.288 3.920 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.784 4.250 -4.797 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.890 4.710 -4.004 1.00 0.00 N ATOM 1174 CA ALA A 90 -13.716 4.378 -2.899 1.00 0.00 C ATOM 1175 C ALA A 90 -12.983 3.323 -2.094 1.00 0.00 C ATOM 1176 O ALA A 90 -11.775 3.190 -2.221 1.00 0.00 O ATOM 1177 CB ALA A 90 -14.983 3.785 -3.459 1.00 0.00 C ATOM 0 H ALA A 90 -12.976 4.004 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.943 5.242 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.650 3.514 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.474 4.516 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.742 2.895 -4.041 1.00 0.00 H new ATOM 1183 N PHE A 91 -13.705 2.529 -1.315 1.00 0.00 N ATOM 1184 CA PHE A 91 -13.085 1.445 -0.588 1.00 0.00 C ATOM 1185 C PHE A 91 -12.876 0.331 -1.620 1.00 0.00 C ATOM 1186 O PHE A 91 -13.324 -0.792 -1.470 1.00 0.00 O ATOM 1187 CB PHE A 91 -13.962 0.967 0.568 1.00 0.00 C ATOM 1188 CG PHE A 91 -14.230 2.032 1.588 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -14.957 3.163 1.252 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -13.753 1.906 2.885 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -15.205 4.150 2.189 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -13.997 2.891 3.827 1.00 0.00 C ATOM 1193 CZ PHE A 91 -14.725 4.015 3.478 1.00 0.00 C ATOM 0 H PHE A 91 -14.711 2.619 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.145 1.759 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -14.911 0.607 0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.479 0.120 1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -15.335 3.275 0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -13.185 1.030 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -15.774 5.026 1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -13.620 2.782 4.833 1.00 0.00 H new ATOM 0 HZ PHE A 91 -14.918 4.785 4.211 1.00 0.00 H new ATOM 1203 N SER A 92 -12.174 0.726 -2.688 1.00 0.00 N ATOM 1204 CA SER A 92 -11.860 -0.118 -3.814 1.00 0.00 C ATOM 1205 C SER A 92 -10.417 -0.613 -3.745 1.00 0.00 C ATOM 1206 O SER A 92 -9.531 0.197 -3.427 1.00 0.00 O ATOM 1207 CB SER A 92 -12.104 0.658 -5.127 1.00 0.00 C ATOM 1208 OG SER A 92 -11.522 -0.024 -6.216 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.199 -1.816 -4.014 1.00 0.00 O ATOM 0 H SER A 92 -11.804 1.672 -2.782 1.00 0.00 H new ATOM 0 HA SER A 92 -12.511 -0.992 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.175 0.776 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.681 1.660 -5.049 1.00 0.00 H new ATOM 0 HG SER A 92 -12.228 -0.418 -6.770 1.00 0.00 H new TER 1215 SER A 92