USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 1.01 K(o=0.98,f=-0.024) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0374 X(o=0.98,f=1) USER MOD Single : A 1 SER N :NH3+ 141:sc= 0.038 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00406 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -35:sc= 0.0424 USER MOD Single : A 22 ASN : amide:sc= 1.7 K(o=1.7,f=-6.9!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.846 K(o=0.85,f=0) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.525 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.299 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 1.96 (180deg=1.95) USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 2.16 (180deg=2.07) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.965 -1.225 -34.857 1.00 0.00 N ATOM 2 CA SER A 1 -2.357 -1.102 -34.359 1.00 0.00 C ATOM 3 C SER A 1 -2.941 0.274 -34.669 1.00 0.00 C ATOM 4 O SER A 1 -2.211 1.264 -34.716 1.00 0.00 O ATOM 5 CB SER A 1 -2.431 -1.385 -32.855 1.00 0.00 C ATOM 6 OG SER A 1 -1.874 -2.664 -32.592 1.00 0.00 O ATOM 0 H1 SER A 1 -0.395 -1.755 -34.167 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.965 -1.729 -35.767 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.558 -0.277 -34.987 1.00 0.00 H new ATOM 0 HA SER A 1 -2.955 -1.849 -34.881 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.889 -0.618 -32.302 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.467 -1.350 -32.517 1.00 0.00 H new ATOM 0 HG SER A 1 -1.918 -2.848 -31.631 1.00 0.00 H new ATOM 14 N MET A 2 -4.264 0.372 -34.858 1.00 0.00 N ATOM 15 CA MET A 2 -4.944 1.602 -35.319 1.00 0.00 C ATOM 16 C MET A 2 -4.910 2.763 -34.298 1.00 0.00 C ATOM 17 O MET A 2 -5.092 3.924 -34.668 1.00 0.00 O ATOM 18 CB MET A 2 -6.387 1.240 -35.718 1.00 0.00 C ATOM 19 CG MET A 2 -6.976 2.207 -36.752 1.00 0.00 C ATOM 20 SD MET A 2 -8.711 1.870 -37.161 1.00 0.00 S ATOM 21 CE MET A 2 -8.968 3.119 -38.452 1.00 0.00 C ATOM 0 H MET A 2 -4.904 -0.406 -34.695 1.00 0.00 H new ATOM 0 HA MET A 2 -4.395 1.983 -36.180 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.405 0.228 -36.122 1.00 0.00 H new ATOM 0 HB3 MET A 2 -7.016 1.239 -34.828 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.893 3.225 -36.373 1.00 0.00 H new ATOM 0 HG3 MET A 2 -6.381 2.157 -37.664 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.992 3.055 -38.821 1.00 0.00 H new ATOM 0 HE2 MET A 2 -8.793 4.112 -38.038 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.274 2.941 -39.274 1.00 0.00 H new ATOM 31 N ALA A 3 -4.632 2.469 -33.023 1.00 0.00 N ATOM 32 CA ALA A 3 -4.450 3.449 -31.945 1.00 0.00 C ATOM 33 C ALA A 3 -3.111 4.229 -32.008 1.00 0.00 C ATOM 34 O ALA A 3 -2.880 5.133 -31.202 1.00 0.00 O ATOM 35 CB ALA A 3 -4.619 2.707 -30.612 1.00 0.00 C ATOM 0 H ALA A 3 -4.524 1.507 -32.701 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.205 4.227 -32.057 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.490 3.407 -29.787 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.616 2.269 -30.563 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.872 1.917 -30.538 1.00 0.00 H new ATOM 41 N ASP A 4 -2.221 3.907 -32.954 1.00 0.00 N ATOM 42 CA ASP A 4 -0.914 4.564 -33.134 1.00 0.00 C ATOM 43 C ASP A 4 -1.015 6.048 -33.554 1.00 0.00 C ATOM 44 O ASP A 4 -0.076 6.817 -33.328 1.00 0.00 O ATOM 45 CB ASP A 4 -0.126 3.748 -34.178 1.00 0.00 C ATOM 46 CG ASP A 4 1.289 4.286 -34.471 1.00 0.00 C ATOM 47 OD1 ASP A 4 2.134 4.303 -33.544 1.00 0.00 O ATOM 48 OD2 ASP A 4 1.573 4.638 -35.644 1.00 0.00 O ATOM 0 H ASP A 4 -2.390 3.165 -33.633 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.401 4.581 -32.172 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.045 2.718 -33.831 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.693 3.727 -35.108 1.00 0.00 H new ATOM 53 N ARG A 5 -2.134 6.457 -34.178 1.00 0.00 N ATOM 54 CA ARG A 5 -2.282 7.746 -34.892 1.00 0.00 C ATOM 55 C ARG A 5 -3.626 8.431 -34.618 1.00 0.00 C ATOM 56 O ARG A 5 -4.566 7.812 -34.119 1.00 0.00 O ATOM 57 CB ARG A 5 -2.040 7.539 -36.408 1.00 0.00 C ATOM 58 CG ARG A 5 -0.695 6.839 -36.660 1.00 0.00 C ATOM 59 CD ARG A 5 -0.270 6.710 -38.119 1.00 0.00 C ATOM 60 NE ARG A 5 0.944 5.874 -38.173 1.00 0.00 N ATOM 61 CZ ARG A 5 1.704 5.603 -39.213 1.00 0.00 C ATOM 62 NH1 ARG A 5 1.455 6.075 -40.403 1.00 0.00 N ATOM 63 NH2 ARG A 5 2.744 4.836 -39.062 1.00 0.00 N ATOM 0 H ARG A 5 -2.982 5.891 -34.203 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.524 8.427 -34.504 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.849 6.943 -36.831 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.054 8.503 -36.917 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.081 7.384 -36.123 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.741 5.840 -36.226 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.068 6.260 -38.709 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.074 7.693 -38.546 1.00 0.00 H new ATOM 0 HE ARG A 5 1.232 5.451 -37.290 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.646 6.678 -40.553 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.069 5.841 -41.183 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.964 4.450 -38.144 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.339 4.620 -39.862 1.00 0.00 H new ATOM 77 N VAL A 6 -3.709 9.724 -34.952 1.00 0.00 N ATOM 78 CA VAL A 6 -4.908 10.590 -34.830 1.00 0.00 C ATOM 79 C VAL A 6 -5.508 10.603 -33.405 1.00 0.00 C ATOM 80 O VAL A 6 -6.716 10.750 -33.216 1.00 0.00 O ATOM 81 CB VAL A 6 -5.945 10.302 -35.950 1.00 0.00 C ATOM 82 CG1 VAL A 6 -6.837 11.522 -36.240 1.00 0.00 C ATOM 83 CG2 VAL A 6 -5.299 9.939 -37.300 1.00 0.00 C ATOM 0 H VAL A 6 -2.909 10.228 -35.334 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.574 11.615 -34.990 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.519 9.461 -35.561 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.547 11.274 -37.030 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.381 11.798 -35.337 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.216 12.359 -36.560 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.079 9.750 -38.038 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.673 10.765 -37.637 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.687 9.045 -37.182 1.00 0.00 H new ATOM 93 N LEU A 7 -4.658 10.406 -32.384 1.00 0.00 N ATOM 94 CA LEU A 7 -5.020 10.278 -30.960 1.00 0.00 C ATOM 95 C LEU A 7 -6.127 9.225 -30.683 1.00 0.00 C ATOM 96 O LEU A 7 -6.878 9.334 -29.708 1.00 0.00 O ATOM 97 CB LEU A 7 -5.307 11.668 -30.340 1.00 0.00 C ATOM 98 CG LEU A 7 -4.110 12.645 -30.331 1.00 0.00 C ATOM 99 CD1 LEU A 7 -4.030 13.510 -31.592 1.00 0.00 C ATOM 100 CD2 LEU A 7 -4.245 13.614 -29.153 1.00 0.00 C ATOM 0 H LEU A 7 -3.652 10.328 -32.534 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.150 9.870 -30.445 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.128 12.130 -30.888 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.648 11.527 -29.314 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.218 12.023 -30.265 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.168 14.174 -31.524 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.925 12.869 -32.467 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.939 14.104 -31.684 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.399 14.302 -29.149 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.172 14.179 -29.251 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.260 13.052 -28.219 1.00 0.00 H new ATOM 112 N ARG A 8 -6.248 8.207 -31.546 1.00 0.00 N ATOM 113 CA ARG A 8 -7.314 7.193 -31.516 1.00 0.00 C ATOM 114 C ARG A 8 -7.168 6.231 -30.328 1.00 0.00 C ATOM 115 O ARG A 8 -6.059 5.819 -29.986 1.00 0.00 O ATOM 116 CB ARG A 8 -7.324 6.474 -32.876 1.00 0.00 C ATOM 117 CG ARG A 8 -8.520 5.529 -33.076 1.00 0.00 C ATOM 118 CD ARG A 8 -8.482 4.832 -34.443 1.00 0.00 C ATOM 119 NE ARG A 8 -8.617 5.784 -35.568 1.00 0.00 N ATOM 120 CZ ARG A 8 -7.671 6.240 -36.371 1.00 0.00 C ATOM 121 NH1 ARG A 8 -6.415 5.909 -36.257 1.00 0.00 N ATOM 122 NH2 ARG A 8 -7.981 7.054 -37.339 1.00 0.00 N ATOM 0 H ARG A 8 -5.587 8.061 -32.309 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.280 7.674 -31.361 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.328 7.221 -33.670 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.402 5.903 -32.980 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.524 4.778 -32.286 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.448 6.094 -32.983 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.544 4.287 -34.543 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.285 4.097 -34.495 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.559 6.132 -35.746 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.121 5.268 -35.520 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.726 6.291 -36.905 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.951 7.338 -37.476 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.254 7.408 -37.960 1.00 0.00 H new ATOM 136 N GLY A 9 -8.291 5.846 -29.719 1.00 0.00 N ATOM 137 CA GLY A 9 -8.349 4.908 -28.592 1.00 0.00 C ATOM 138 C GLY A 9 -9.754 4.759 -27.991 1.00 0.00 C ATOM 139 O GLY A 9 -10.699 5.432 -28.412 1.00 0.00 O ATOM 0 H GLY A 9 -9.210 6.186 -30.002 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.999 3.931 -28.925 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.663 5.244 -27.814 1.00 0.00 H new ATOM 143 N SER A 10 -9.887 3.875 -27.000 1.00 0.00 N ATOM 144 CA SER A 10 -11.140 3.639 -26.255 1.00 0.00 C ATOM 145 C SER A 10 -11.324 4.623 -25.088 1.00 0.00 C ATOM 146 O SER A 10 -10.347 5.140 -24.535 1.00 0.00 O ATOM 147 CB SER A 10 -11.197 2.195 -25.738 1.00 0.00 C ATOM 148 OG SER A 10 -11.220 1.270 -26.816 1.00 0.00 O ATOM 0 H SER A 10 -9.116 3.288 -26.681 1.00 0.00 H new ATOM 0 HA SER A 10 -11.959 3.806 -26.955 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.333 1.998 -25.103 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.085 2.061 -25.120 1.00 0.00 H new ATOM 0 HG SER A 10 -11.255 0.357 -26.463 1.00 0.00 H new ATOM 154 N ARG A 11 -12.582 4.858 -24.686 1.00 0.00 N ATOM 155 CA ARG A 11 -12.979 5.723 -23.558 1.00 0.00 C ATOM 156 C ARG A 11 -14.086 5.062 -22.722 1.00 0.00 C ATOM 157 O ARG A 11 -15.002 4.453 -23.279 1.00 0.00 O ATOM 158 CB ARG A 11 -13.383 7.106 -24.119 1.00 0.00 C ATOM 159 CG ARG A 11 -13.822 8.131 -23.063 1.00 0.00 C ATOM 160 CD ARG A 11 -12.665 8.620 -22.181 1.00 0.00 C ATOM 161 NE ARG A 11 -13.188 9.331 -21.006 1.00 0.00 N ATOM 162 CZ ARG A 11 -12.519 9.787 -19.968 1.00 0.00 C ATOM 163 NH1 ARG A 11 -11.218 9.765 -19.903 1.00 0.00 N ATOM 164 NH2 ARG A 11 -13.184 10.262 -18.957 1.00 0.00 N ATOM 0 H ARG A 11 -13.384 4.436 -25.154 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.143 5.866 -22.874 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.540 7.517 -24.674 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.197 6.969 -24.831 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.277 8.986 -23.563 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.590 7.686 -22.431 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.058 7.773 -21.862 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.014 9.280 -22.755 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.195 9.491 -20.993 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.675 9.383 -20.677 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.742 10.130 -19.078 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.204 10.276 -18.979 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.686 10.621 -18.142 1.00 0.00 H new ATOM 178 N LEU A 12 -13.998 5.179 -21.393 1.00 0.00 N ATOM 179 CA LEU A 12 -14.865 4.465 -20.437 1.00 0.00 C ATOM 180 C LEU A 12 -16.117 5.254 -19.997 1.00 0.00 C ATOM 181 O LEU A 12 -17.111 4.643 -19.600 1.00 0.00 O ATOM 182 CB LEU A 12 -14.026 4.042 -19.213 1.00 0.00 C ATOM 183 CG LEU A 12 -12.828 3.117 -19.512 1.00 0.00 C ATOM 184 CD1 LEU A 12 -12.094 2.793 -18.211 1.00 0.00 C ATOM 185 CD2 LEU A 12 -13.245 1.798 -20.166 1.00 0.00 C ATOM 0 H LEU A 12 -13.312 5.782 -20.939 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.254 3.590 -20.959 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.654 4.941 -18.722 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.682 3.539 -18.502 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.185 3.653 -20.210 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.248 2.139 -18.424 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.734 3.716 -17.757 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.776 2.292 -17.524 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.361 1.189 -20.353 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.922 1.261 -19.502 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.750 2.004 -21.110 1.00 0.00 H new ATOM 197 N GLY A 13 -16.091 6.590 -20.066 1.00 0.00 N ATOM 198 CA GLY A 13 -17.221 7.452 -19.686 1.00 0.00 C ATOM 199 C GLY A 13 -16.958 8.952 -19.865 1.00 0.00 C ATOM 200 O GLY A 13 -15.805 9.381 -19.956 1.00 0.00 O ATOM 0 H GLY A 13 -15.276 7.111 -20.391 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.091 7.174 -20.281 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.474 7.261 -18.643 1.00 0.00 H new ATOM 204 N ALA A 14 -18.040 9.738 -19.891 1.00 0.00 N ATOM 205 CA ALA A 14 -18.097 11.167 -20.240 1.00 0.00 C ATOM 206 C ALA A 14 -17.641 11.519 -21.678 1.00 0.00 C ATOM 207 O ALA A 14 -16.899 10.781 -22.329 1.00 0.00 O ATOM 208 CB ALA A 14 -17.402 12.008 -19.153 1.00 0.00 C ATOM 0 H ALA A 14 -18.962 9.371 -19.653 1.00 0.00 H new ATOM 0 HA ALA A 14 -19.154 11.433 -20.260 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.451 13.063 -19.423 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.904 11.854 -18.198 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -16.359 11.703 -19.068 1.00 0.00 H new ATOM 214 N VAL A 15 -18.104 12.673 -22.176 1.00 0.00 N ATOM 215 CA VAL A 15 -17.833 13.190 -23.539 1.00 0.00 C ATOM 216 C VAL A 15 -16.750 14.279 -23.583 1.00 0.00 C ATOM 217 O VAL A 15 -16.202 14.579 -24.645 1.00 0.00 O ATOM 218 CB VAL A 15 -19.160 13.617 -24.203 1.00 0.00 C ATOM 219 CG1 VAL A 15 -19.770 14.876 -23.571 1.00 0.00 C ATOM 220 CG2 VAL A 15 -19.048 13.820 -25.717 1.00 0.00 C ATOM 0 H VAL A 15 -18.697 13.298 -21.630 1.00 0.00 H new ATOM 0 HA VAL A 15 -17.403 12.378 -24.126 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.827 12.774 -24.020 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -20.701 15.125 -24.081 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.973 14.692 -22.516 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -19.071 15.706 -23.666 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -20.017 14.119 -26.117 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -18.314 14.598 -25.926 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.734 12.888 -26.187 1.00 0.00 H new ATOM 230 N SER A 16 -16.401 14.842 -22.426 1.00 0.00 N ATOM 231 CA SER A 16 -15.358 15.855 -22.258 1.00 0.00 C ATOM 232 C SER A 16 -14.595 15.621 -20.949 1.00 0.00 C ATOM 233 O SER A 16 -15.195 15.376 -19.899 1.00 0.00 O ATOM 234 CB SER A 16 -16.000 17.240 -22.303 1.00 0.00 C ATOM 235 OG SER A 16 -15.031 18.246 -22.055 1.00 0.00 O ATOM 0 H SER A 16 -16.854 14.596 -21.546 1.00 0.00 H new ATOM 0 HA SER A 16 -14.632 15.784 -23.068 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.460 17.402 -23.278 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.796 17.303 -21.561 1.00 0.00 H new ATOM 0 HG SER A 16 -15.458 19.127 -22.089 1.00 0.00 H new ATOM 241 N TYR A 17 -13.263 15.620 -21.043 1.00 0.00 N ATOM 242 CA TYR A 17 -12.336 15.187 -19.983 1.00 0.00 C ATOM 243 C TYR A 17 -10.910 15.719 -20.181 1.00 0.00 C ATOM 244 O TYR A 17 -10.254 16.172 -19.243 1.00 0.00 O ATOM 245 CB TYR A 17 -12.329 13.639 -19.941 1.00 0.00 C ATOM 246 CG TYR A 17 -12.403 12.948 -21.301 1.00 0.00 C ATOM 247 CD1 TYR A 17 -11.237 12.715 -22.059 1.00 0.00 C ATOM 248 CD2 TYR A 17 -13.659 12.582 -21.829 1.00 0.00 C ATOM 249 CE1 TYR A 17 -11.333 12.149 -23.346 1.00 0.00 C ATOM 250 CE2 TYR A 17 -13.760 12.027 -23.118 1.00 0.00 C ATOM 251 CZ TYR A 17 -12.593 11.811 -23.883 1.00 0.00 C ATOM 252 OH TYR A 17 -12.673 11.269 -25.129 1.00 0.00 O ATOM 0 H TYR A 17 -12.779 15.930 -21.886 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.686 15.600 -19.037 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.422 13.310 -19.434 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.172 13.305 -19.336 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.269 12.971 -21.653 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.551 12.729 -21.238 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.438 11.973 -23.924 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.728 11.767 -23.521 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.612 11.093 -25.350 1.00 0.00 H new ATOM 262 N GLU A 18 -10.470 15.713 -21.435 1.00 0.00 N ATOM 263 CA GLU A 18 -9.177 16.222 -21.931 1.00 0.00 C ATOM 264 C GLU A 18 -9.241 16.509 -23.454 1.00 0.00 C ATOM 265 O GLU A 18 -8.258 16.383 -24.189 1.00 0.00 O ATOM 266 CB GLU A 18 -8.060 15.218 -21.567 1.00 0.00 C ATOM 267 CG GLU A 18 -6.709 15.909 -21.343 1.00 0.00 C ATOM 268 CD GLU A 18 -5.605 14.875 -21.062 1.00 0.00 C ATOM 269 OE1 GLU A 18 -5.069 14.300 -22.041 1.00 0.00 O ATOM 270 OE2 GLU A 18 -5.258 14.641 -19.879 1.00 0.00 O ATOM 0 H GLU A 18 -11.039 15.329 -22.190 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.948 17.173 -21.449 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.342 14.675 -20.665 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.962 14.482 -22.365 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.447 16.498 -22.222 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.785 16.603 -20.506 1.00 0.00 H new ATOM 277 N THR A 19 -10.443 16.821 -23.956 1.00 0.00 N ATOM 278 CA THR A 19 -10.773 16.864 -25.396 1.00 0.00 C ATOM 279 C THR A 19 -10.466 18.224 -26.053 1.00 0.00 C ATOM 280 O THR A 19 -10.558 18.388 -27.270 1.00 0.00 O ATOM 281 CB THR A 19 -12.230 16.405 -25.607 1.00 0.00 C ATOM 282 OG1 THR A 19 -12.460 16.034 -26.949 1.00 0.00 O ATOM 283 CG2 THR A 19 -13.273 17.452 -25.207 1.00 0.00 C ATOM 0 H THR A 19 -11.237 17.057 -23.361 1.00 0.00 H new ATOM 0 HA THR A 19 -10.116 16.165 -25.913 1.00 0.00 H new ATOM 0 HB THR A 19 -12.350 15.546 -24.946 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.931 16.608 -27.542 1.00 0.00 H new ATOM 0 HG21 THR A 19 -14.273 17.056 -25.384 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.160 17.693 -24.150 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.130 18.354 -25.802 1.00 0.00 H new ATOM 291 N ASP A 20 -10.046 19.214 -25.260 1.00 0.00 N ATOM 292 CA ASP A 20 -9.783 20.612 -25.638 1.00 0.00 C ATOM 293 C ASP A 20 -8.438 20.840 -26.372 1.00 0.00 C ATOM 294 O ASP A 20 -7.834 21.913 -26.287 1.00 0.00 O ATOM 295 CB ASP A 20 -9.957 21.496 -24.387 1.00 0.00 C ATOM 296 CG ASP A 20 -8.942 21.179 -23.271 1.00 0.00 C ATOM 297 OD1 ASP A 20 -8.986 20.051 -22.718 1.00 0.00 O ATOM 298 OD2 ASP A 20 -8.125 22.063 -22.913 1.00 0.00 O ATOM 0 H ASP A 20 -9.868 19.052 -24.269 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.514 20.903 -26.392 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.856 22.543 -24.673 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.967 21.368 -23.997 1.00 0.00 H new ATOM 303 N ARG A 21 -7.967 19.832 -27.118 1.00 0.00 N ATOM 304 CA ARG A 21 -6.770 19.885 -27.977 1.00 0.00 C ATOM 305 C ARG A 21 -7.053 20.593 -29.311 1.00 0.00 C ATOM 306 O ARG A 21 -8.176 20.566 -29.817 1.00 0.00 O ATOM 307 CB ARG A 21 -6.233 18.461 -28.207 1.00 0.00 C ATOM 308 CG ARG A 21 -5.568 17.872 -26.952 1.00 0.00 C ATOM 309 CD ARG A 21 -5.083 16.446 -27.234 1.00 0.00 C ATOM 310 NE ARG A 21 -4.138 15.962 -26.210 1.00 0.00 N ATOM 311 CZ ARG A 21 -4.425 15.385 -25.058 1.00 0.00 C ATOM 312 NH1 ARG A 21 -5.631 15.215 -24.612 1.00 0.00 N ATOM 313 NH2 ARG A 21 -3.490 14.947 -24.270 1.00 0.00 N ATOM 0 H ARG A 21 -8.425 18.921 -27.143 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.009 20.474 -27.465 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.053 17.813 -28.518 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.511 18.476 -29.024 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.728 18.497 -26.649 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.277 17.866 -26.124 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.941 15.775 -27.279 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.603 16.415 -28.212 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.147 16.088 -26.416 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.428 15.536 -25.162 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.782 14.760 -23.712 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.510 15.046 -24.537 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.735 14.504 -23.384 1.00 0.00 H new ATOM 327 N ASN A 22 -6.010 21.175 -29.908 1.00 0.00 N ATOM 328 CA ASN A 22 -6.059 21.906 -31.185 1.00 0.00 C ATOM 329 C ASN A 22 -5.464 21.088 -32.361 1.00 0.00 C ATOM 330 O ASN A 22 -4.906 21.647 -33.309 1.00 0.00 O ATOM 331 CB ASN A 22 -5.425 23.300 -30.972 1.00 0.00 C ATOM 332 CG ASN A 22 -6.003 24.375 -31.884 1.00 0.00 C ATOM 333 OD1 ASN A 22 -6.720 25.266 -31.447 1.00 0.00 O ATOM 334 ND2 ASN A 22 -5.724 24.337 -33.164 1.00 0.00 N ATOM 0 H ASN A 22 -5.073 21.152 -29.505 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.093 22.059 -31.494 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.567 23.600 -29.934 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.350 23.231 -31.140 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.104 25.047 -33.790 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.127 23.597 -33.534 1.00 0.00 H new ATOM 341 N HIS A 23 -5.542 19.751 -32.290 1.00 0.00 N ATOM 342 CA HIS A 23 -5.078 18.838 -33.351 1.00 0.00 C ATOM 343 C HIS A 23 -5.960 18.910 -34.613 1.00 0.00 C ATOM 344 O HIS A 23 -5.459 18.820 -35.735 1.00 0.00 O ATOM 345 CB HIS A 23 -5.027 17.409 -32.786 1.00 0.00 C ATOM 346 CG HIS A 23 -4.471 16.395 -33.758 1.00 0.00 C ATOM 347 ND1 HIS A 23 -5.229 15.531 -34.555 1.00 0.00 N ATOM 348 CD2 HIS A 23 -3.147 16.182 -34.011 1.00 0.00 C ATOM 349 CE1 HIS A 23 -4.341 14.821 -35.273 1.00 0.00 C ATOM 350 NE2 HIS A 23 -3.085 15.188 -34.964 1.00 0.00 N ATOM 0 H HIS A 23 -5.934 19.264 -31.484 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.080 19.146 -33.664 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.418 17.406 -31.882 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.033 17.107 -32.494 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.312 16.692 -33.554 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.600 14.062 -35.997 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.233 14.798 -35.366 1.00 0.00 H new ATOM 358 N ASP A 24 -7.264 19.143 -34.426 1.00 0.00 N ATOM 359 CA ASP A 24 -8.244 19.454 -35.476 1.00 0.00 C ATOM 360 C ASP A 24 -8.634 20.947 -35.475 1.00 0.00 C ATOM 361 O ASP A 24 -8.312 21.698 -34.548 1.00 0.00 O ATOM 362 CB ASP A 24 -9.476 18.540 -35.314 1.00 0.00 C ATOM 363 CG ASP A 24 -10.211 18.208 -36.630 1.00 0.00 C ATOM 364 OD1 ASP A 24 -9.982 18.877 -37.666 1.00 0.00 O ATOM 365 OD2 ASP A 24 -11.042 17.267 -36.623 1.00 0.00 O ATOM 0 H ASP A 24 -7.685 19.119 -33.497 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.789 19.261 -36.447 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.161 17.608 -34.845 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.179 19.018 -34.632 1.00 0.00 H new ATOM 370 N LEU A 25 -9.355 21.377 -36.511 1.00 0.00 N ATOM 371 CA LEU A 25 -9.886 22.735 -36.652 1.00 0.00 C ATOM 372 C LEU A 25 -11.033 22.952 -35.650 1.00 0.00 C ATOM 373 O LEU A 25 -12.018 22.207 -35.643 1.00 0.00 O ATOM 374 CB LEU A 25 -10.347 22.989 -38.102 1.00 0.00 C ATOM 375 CG LEU A 25 -9.220 23.337 -39.096 1.00 0.00 C ATOM 376 CD1 LEU A 25 -8.293 22.159 -39.414 1.00 0.00 C ATOM 377 CD2 LEU A 25 -9.837 23.801 -40.417 1.00 0.00 C ATOM 0 H LEU A 25 -9.593 20.774 -37.298 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.097 23.454 -36.429 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.867 22.101 -38.462 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.072 23.803 -38.099 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.625 24.114 -38.616 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.526 22.480 -40.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.819 21.811 -38.496 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.873 21.348 -39.853 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.043 24.048 -41.122 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.454 23.003 -40.830 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.453 24.683 -40.241 1.00 0.00 H new ATOM 389 N ALA A 26 -10.899 23.980 -34.808 1.00 0.00 N ATOM 390 CA ALA A 26 -11.814 24.279 -33.704 1.00 0.00 C ATOM 391 C ALA A 26 -12.006 25.805 -33.521 1.00 0.00 C ATOM 392 O ALA A 26 -11.548 26.367 -32.517 1.00 0.00 O ATOM 393 CB ALA A 26 -11.272 23.561 -32.456 1.00 0.00 C ATOM 0 H ALA A 26 -10.129 24.646 -34.878 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.818 23.909 -33.911 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.928 23.759 -31.608 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.234 22.488 -32.642 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.270 23.927 -32.232 1.00 0.00 H new ATOM 399 N PRO A 27 -12.635 26.503 -34.494 1.00 0.00 N ATOM 400 CA PRO A 27 -12.842 27.950 -34.464 1.00 0.00 C ATOM 401 C PRO A 27 -13.765 28.338 -33.302 1.00 0.00 C ATOM 402 O PRO A 27 -14.929 27.931 -33.226 1.00 0.00 O ATOM 403 CB PRO A 27 -13.418 28.320 -35.836 1.00 0.00 C ATOM 404 CG PRO A 27 -14.130 27.043 -36.275 1.00 0.00 C ATOM 405 CD PRO A 27 -13.229 25.952 -35.702 1.00 0.00 C ATOM 0 HA PRO A 27 -11.916 28.499 -34.289 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.107 29.162 -35.769 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.634 28.605 -36.538 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.143 26.985 -35.876 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.211 26.975 -37.360 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.803 25.053 -35.477 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.459 25.668 -36.419 1.00 0.00 H new ATOM 413 N ARG A 28 -13.193 29.088 -32.360 1.00 0.00 N ATOM 414 CA ARG A 28 -13.795 29.428 -31.059 1.00 0.00 C ATOM 415 C ARG A 28 -13.531 30.864 -30.582 1.00 0.00 C ATOM 416 O ARG A 28 -12.679 31.573 -31.118 1.00 0.00 O ATOM 417 CB ARG A 28 -13.376 28.356 -30.034 1.00 0.00 C ATOM 418 CG ARG A 28 -11.876 28.366 -29.701 1.00 0.00 C ATOM 419 CD ARG A 28 -11.492 27.089 -28.945 1.00 0.00 C ATOM 420 NE ARG A 28 -10.042 27.025 -28.669 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.094 26.606 -29.491 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.313 26.260 -30.726 1.00 0.00 N ATOM 423 NH2 ARG A 28 -7.860 26.515 -29.094 1.00 0.00 N ATOM 0 H ARG A 28 -12.265 29.493 -32.481 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.879 29.417 -31.177 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.943 28.505 -29.115 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.646 27.373 -30.420 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.293 28.443 -30.619 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.636 29.241 -29.097 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.042 27.045 -28.005 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.789 26.218 -29.530 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.740 27.337 -27.746 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.258 26.304 -31.108 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.540 25.945 -31.312 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.612 26.768 -28.138 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.139 26.190 -29.739 1.00 0.00 H new ATOM 437 N GLN A 29 -14.279 31.266 -29.556 1.00 0.00 N ATOM 438 CA GLN A 29 -14.285 32.568 -28.883 1.00 0.00 C ATOM 439 C GLN A 29 -14.186 32.343 -27.371 1.00 0.00 C ATOM 440 O GLN A 29 -15.081 31.776 -26.751 1.00 0.00 O ATOM 441 CB GLN A 29 -15.587 33.339 -29.176 1.00 0.00 C ATOM 442 CG GLN A 29 -15.906 33.543 -30.667 1.00 0.00 C ATOM 443 CD GLN A 29 -17.260 32.952 -31.037 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.136 33.607 -31.587 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.464 31.688 -30.741 1.00 0.00 N ATOM 0 H GLN A 29 -14.959 30.633 -29.135 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.440 33.150 -29.251 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.418 32.807 -28.713 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.528 34.316 -28.697 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.898 34.608 -30.899 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.128 33.079 -31.273 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.731 31.147 -30.283 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.355 31.248 -30.969 1.00 0.00 H new ATOM 454 N ILE A 30 -13.099 32.795 -26.771 1.00 0.00 N ATOM 455 CA ILE A 30 -12.873 32.746 -25.323 1.00 0.00 C ATOM 456 C ILE A 30 -13.393 34.041 -24.687 1.00 0.00 C ATOM 457 O ILE A 30 -12.777 35.102 -24.816 1.00 0.00 O ATOM 458 CB ILE A 30 -11.384 32.490 -24.987 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.744 31.347 -25.810 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.236 32.220 -23.478 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.465 29.998 -25.758 1.00 0.00 C ATOM 0 H ILE A 30 -12.325 33.218 -27.283 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.426 31.906 -24.903 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.839 33.392 -25.265 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.684 31.665 -26.851 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.721 31.204 -25.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.187 32.040 -23.242 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.591 33.085 -22.917 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.825 31.344 -23.206 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.928 29.274 -26.371 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.502 29.645 -24.728 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.480 30.113 -26.139 1.00 0.00 H new ATOM 473 N ALA A 31 -14.514 33.945 -23.976 1.00 0.00 N ATOM 474 CA ALA A 31 -14.996 34.993 -23.081 1.00 0.00 C ATOM 475 C ALA A 31 -14.578 34.697 -21.629 1.00 0.00 C ATOM 476 O ALA A 31 -14.277 33.557 -21.267 1.00 0.00 O ATOM 477 CB ALA A 31 -16.515 35.127 -23.246 1.00 0.00 C ATOM 0 H ALA A 31 -15.121 33.126 -24.006 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.544 35.950 -23.340 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.886 35.908 -22.582 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.747 35.389 -24.278 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.993 34.180 -22.995 1.00 0.00 H new ATOM 483 N ARG A 32 -14.569 35.729 -20.783 1.00 0.00 N ATOM 484 CA ARG A 32 -14.369 35.624 -19.330 1.00 0.00 C ATOM 485 C ARG A 32 -15.618 36.106 -18.603 1.00 0.00 C ATOM 486 O ARG A 32 -16.301 37.003 -19.086 1.00 0.00 O ATOM 487 CB ARG A 32 -13.115 36.412 -18.905 1.00 0.00 C ATOM 488 CG ARG A 32 -11.881 35.509 -18.838 1.00 0.00 C ATOM 489 CD ARG A 32 -10.596 36.323 -18.634 1.00 0.00 C ATOM 490 NE ARG A 32 -9.406 35.450 -18.631 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.139 35.819 -18.592 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.777 37.071 -18.550 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.209 34.911 -18.594 1.00 0.00 N ATOM 0 H ARG A 32 -14.704 36.690 -21.096 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.204 34.582 -19.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.936 37.222 -19.612 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.285 36.871 -17.931 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.995 34.797 -18.021 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.803 34.929 -19.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.503 37.066 -19.426 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.653 36.868 -17.692 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.583 34.446 -18.663 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.484 37.806 -18.546 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.787 37.315 -18.521 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.461 33.923 -18.626 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.227 35.186 -18.564 1.00 0.00 H new ATOM 507 N TYR A 33 -15.902 35.548 -17.431 1.00 0.00 N ATOM 508 CA TYR A 33 -17.024 35.960 -16.580 1.00 0.00 C ATOM 509 C TYR A 33 -16.624 36.031 -15.097 1.00 0.00 C ATOM 510 O TYR A 33 -15.945 35.136 -14.589 1.00 0.00 O ATOM 511 CB TYR A 33 -18.220 35.027 -16.790 1.00 0.00 C ATOM 512 CG TYR A 33 -18.809 34.997 -18.184 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.230 34.200 -19.190 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.969 35.738 -18.459 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.839 34.117 -20.457 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.570 35.670 -19.727 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.031 34.826 -20.713 1.00 0.00 C ATOM 518 OH TYR A 33 -20.689 34.670 -21.888 1.00 0.00 O ATOM 0 H TYR A 33 -15.354 34.785 -17.035 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.315 36.968 -16.875 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.915 34.015 -16.525 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.006 35.316 -16.092 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.320 33.653 -18.990 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.402 36.363 -17.692 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.394 33.511 -21.232 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.445 36.265 -19.944 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.342 35.393 -21.996 1.00 0.00 H new ATOM 528 N ARG A 34 -17.070 37.085 -14.396 1.00 0.00 N ATOM 529 CA ARG A 34 -16.798 37.338 -12.967 1.00 0.00 C ATOM 530 C ARG A 34 -18.013 37.018 -12.100 1.00 0.00 C ATOM 531 O ARG A 34 -19.090 37.567 -12.327 1.00 0.00 O ATOM 532 CB ARG A 34 -16.322 38.786 -12.741 1.00 0.00 C ATOM 533 CG ARG A 34 -15.766 38.971 -11.321 1.00 0.00 C ATOM 534 CD ARG A 34 -14.901 40.235 -11.200 1.00 0.00 C ATOM 535 NE ARG A 34 -13.872 40.065 -10.158 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.183 40.998 -9.531 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.365 42.271 -9.749 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.291 40.649 -8.651 1.00 0.00 N ATOM 0 H ARG A 34 -17.649 37.810 -14.819 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.993 36.668 -12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.553 39.037 -13.471 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.152 39.474 -12.902 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.593 39.029 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.173 38.098 -11.048 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.425 40.449 -12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.531 41.091 -10.959 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.667 39.103 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.063 42.578 -10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.810 42.960 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.130 39.662 -8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.752 41.363 -8.160 1.00 0.00 H new ATOM 552 N THR A 35 -17.837 36.135 -11.120 1.00 0.00 N ATOM 553 CA THR A 35 -18.893 35.657 -10.207 1.00 0.00 C ATOM 554 C THR A 35 -19.192 36.673 -9.105 1.00 0.00 C ATOM 555 O THR A 35 -18.528 37.706 -8.978 1.00 0.00 O ATOM 556 CB THR A 35 -18.535 34.325 -9.539 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.407 34.487 -8.735 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.287 33.200 -10.523 1.00 0.00 C ATOM 0 H THR A 35 -16.928 35.714 -10.926 1.00 0.00 H new ATOM 0 HA THR A 35 -19.773 35.517 -10.835 1.00 0.00 H new ATOM 0 HB THR A 35 -19.402 34.040 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.627 34.673 -9.299 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.039 32.289 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.184 33.034 -11.119 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.459 33.467 -11.180 1.00 0.00 H new ATOM 566 N ASP A 36 -20.160 36.355 -8.245 1.00 0.00 N ATOM 567 CA ASP A 36 -20.587 37.249 -7.172 1.00 0.00 C ATOM 568 C ASP A 36 -19.582 37.356 -6.009 1.00 0.00 C ATOM 569 O ASP A 36 -19.641 38.327 -5.250 1.00 0.00 O ATOM 570 CB ASP A 36 -21.984 36.823 -6.698 1.00 0.00 C ATOM 571 CG ASP A 36 -22.634 37.859 -5.763 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.926 38.990 -6.222 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.895 37.536 -4.578 1.00 0.00 O ATOM 0 H ASP A 36 -20.669 35.471 -8.274 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.630 38.260 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.626 36.668 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.912 35.867 -6.180 1.00 0.00 H new ATOM 578 N ASN A 37 -18.610 36.434 -5.894 1.00 0.00 N ATOM 579 CA ASN A 37 -17.510 36.576 -4.923 1.00 0.00 C ATOM 580 C ASN A 37 -16.279 37.302 -5.518 1.00 0.00 C ATOM 581 O ASN A 37 -15.239 37.401 -4.863 1.00 0.00 O ATOM 582 CB ASN A 37 -17.123 35.228 -4.298 1.00 0.00 C ATOM 583 CG ASN A 37 -18.250 34.248 -4.030 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.339 34.579 -3.581 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.988 32.989 -4.284 1.00 0.00 N ATOM 0 H ASN A 37 -18.563 35.586 -6.459 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.889 37.212 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.401 34.744 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.613 35.425 -3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.695 32.275 -4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.077 32.723 -4.658 1.00 0.00 H new ATOM 592 N GLY A 38 -16.365 37.760 -6.775 1.00 0.00 N ATOM 593 CA GLY A 38 -15.241 38.270 -7.568 1.00 0.00 C ATOM 594 C GLY A 38 -14.412 37.198 -8.273 1.00 0.00 C ATOM 595 O GLY A 38 -13.382 37.533 -8.859 1.00 0.00 O ATOM 0 H GLY A 38 -17.249 37.786 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.628 38.961 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.585 38.844 -6.914 1.00 0.00 H new ATOM 599 N GLU A 39 -14.822 35.931 -8.220 1.00 0.00 N ATOM 600 CA GLU A 39 -14.071 34.814 -8.811 1.00 0.00 C ATOM 601 C GLU A 39 -14.247 34.837 -10.335 1.00 0.00 C ATOM 602 O GLU A 39 -15.371 34.761 -10.829 1.00 0.00 O ATOM 603 CB GLU A 39 -14.506 33.452 -8.230 1.00 0.00 C ATOM 604 CG GLU A 39 -14.874 33.500 -6.740 1.00 0.00 C ATOM 605 CD GLU A 39 -14.627 32.210 -5.939 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.592 31.526 -6.130 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.472 31.917 -5.057 1.00 0.00 O ATOM 0 H GLU A 39 -15.689 35.645 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.017 34.939 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.363 33.084 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.699 32.733 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.309 34.307 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.929 33.759 -6.656 1.00 0.00 H new ATOM 614 N GLU A 40 -13.160 34.966 -11.085 1.00 0.00 N ATOM 615 CA GLU A 40 -13.186 35.073 -12.553 1.00 0.00 C ATOM 616 C GLU A 40 -12.796 33.751 -13.232 1.00 0.00 C ATOM 617 O GLU A 40 -11.752 33.161 -12.931 1.00 0.00 O ATOM 618 CB GLU A 40 -12.234 36.187 -13.015 1.00 0.00 C ATOM 619 CG GLU A 40 -12.729 37.576 -12.613 1.00 0.00 C ATOM 620 CD GLU A 40 -11.670 38.654 -12.920 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.542 39.068 -14.096 1.00 0.00 O ATOM 622 OE2 GLU A 40 -10.958 39.091 -11.983 1.00 0.00 O ATOM 0 H GLU A 40 -12.219 35.001 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.209 35.312 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.246 36.018 -12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.124 36.142 -14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.651 37.805 -13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.966 37.587 -11.549 1.00 0.00 H new ATOM 629 N PHE A 41 -13.627 33.310 -14.181 1.00 0.00 N ATOM 630 CA PHE A 41 -13.445 32.088 -14.975 1.00 0.00 C ATOM 631 C PHE A 41 -13.541 32.371 -16.479 1.00 0.00 C ATOM 632 O PHE A 41 -14.060 33.407 -16.896 1.00 0.00 O ATOM 633 CB PHE A 41 -14.475 31.034 -14.540 1.00 0.00 C ATOM 634 CG PHE A 41 -14.309 30.584 -13.100 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.925 31.283 -12.042 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.493 29.473 -12.814 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.716 30.868 -10.721 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.239 29.099 -11.482 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.856 29.796 -10.433 1.00 0.00 C ATOM 0 H PHE A 41 -14.479 33.813 -14.428 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.443 31.701 -14.791 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.478 31.441 -14.672 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.394 30.167 -15.195 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.555 32.135 -12.249 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.059 28.904 -13.623 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.222 31.378 -9.915 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.571 28.278 -11.268 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.671 29.510 -9.408 1.00 0.00 H new ATOM 649 N GLU A 42 -13.058 31.441 -17.305 1.00 0.00 N ATOM 650 CA GLU A 42 -13.092 31.533 -18.766 1.00 0.00 C ATOM 651 C GLU A 42 -14.083 30.517 -19.340 1.00 0.00 C ATOM 652 O GLU A 42 -14.133 29.363 -18.902 1.00 0.00 O ATOM 653 CB GLU A 42 -11.700 31.318 -19.388 1.00 0.00 C ATOM 654 CG GLU A 42 -10.624 32.299 -18.886 1.00 0.00 C ATOM 655 CD GLU A 42 -9.302 31.663 -18.411 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.294 30.567 -17.803 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.252 32.324 -18.603 1.00 0.00 O ATOM 0 H GLU A 42 -12.622 30.582 -16.969 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.418 32.541 -19.021 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.374 30.300 -19.177 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.781 31.409 -20.471 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.399 33.002 -19.688 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.043 32.877 -18.063 1.00 0.00 H new ATOM 664 N VAL A 43 -14.854 30.942 -20.341 1.00 0.00 N ATOM 665 CA VAL A 43 -15.838 30.112 -21.046 1.00 0.00 C ATOM 666 C VAL A 43 -15.519 30.106 -22.550 1.00 0.00 C ATOM 667 O VAL A 43 -15.680 31.138 -23.211 1.00 0.00 O ATOM 668 CB VAL A 43 -17.280 30.574 -20.775 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.284 29.608 -21.413 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.592 30.667 -19.275 1.00 0.00 C ATOM 0 H VAL A 43 -14.812 31.898 -20.695 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.768 29.093 -20.666 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.370 31.567 -21.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.298 29.951 -21.210 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.121 29.573 -22.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.148 28.612 -20.993 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.622 30.997 -19.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.460 29.688 -18.815 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.916 31.382 -18.806 1.00 0.00 H new ATOM 680 N PRO A 44 -15.053 28.974 -23.111 1.00 0.00 N ATOM 681 CA PRO A 44 -14.872 28.807 -24.549 1.00 0.00 C ATOM 682 C PRO A 44 -16.228 28.614 -25.252 1.00 0.00 C ATOM 683 O PRO A 44 -17.015 27.737 -24.887 1.00 0.00 O ATOM 684 CB PRO A 44 -13.963 27.581 -24.701 1.00 0.00 C ATOM 685 CG PRO A 44 -14.258 26.743 -23.458 1.00 0.00 C ATOM 686 CD PRO A 44 -14.615 27.782 -22.396 1.00 0.00 C ATOM 0 HA PRO A 44 -14.425 29.685 -25.015 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.186 27.030 -25.615 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.912 27.867 -24.749 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.080 26.048 -23.630 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.394 26.148 -23.162 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.403 27.411 -21.741 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.754 28.003 -21.765 1.00 0.00 H new ATOM 694 N PHE A 45 -16.480 29.408 -26.292 1.00 0.00 N ATOM 695 CA PHE A 45 -17.660 29.315 -27.173 1.00 0.00 C ATOM 696 C PHE A 45 -17.250 28.947 -28.599 1.00 0.00 C ATOM 697 O PHE A 45 -16.278 29.483 -29.117 1.00 0.00 O ATOM 698 CB PHE A 45 -18.417 30.647 -27.187 1.00 0.00 C ATOM 699 CG PHE A 45 -19.270 30.904 -25.959 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.698 31.479 -24.810 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.648 30.616 -25.980 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.500 31.770 -23.695 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.448 30.902 -24.856 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.870 31.470 -23.707 1.00 0.00 C ATOM 0 H PHE A 45 -15.849 30.164 -26.560 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.310 28.532 -26.782 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.696 31.458 -27.288 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.056 30.677 -28.069 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.641 31.697 -24.785 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.093 30.175 -26.860 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.059 32.228 -22.822 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.506 30.685 -24.877 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.478 31.674 -22.838 1.00 0.00 H new ATOM 714 N ALA A 46 -18.012 28.099 -29.280 1.00 0.00 N ATOM 715 CA ALA A 46 -17.740 27.702 -30.665 1.00 0.00 C ATOM 716 C ALA A 46 -18.283 28.738 -31.667 1.00 0.00 C ATOM 717 O ALA A 46 -19.187 29.507 -31.341 1.00 0.00 O ATOM 718 CB ALA A 46 -18.332 26.307 -30.901 1.00 0.00 C ATOM 0 H ALA A 46 -18.845 27.661 -28.887 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.663 27.663 -30.828 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.137 25.998 -31.928 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.872 25.596 -30.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.408 26.334 -30.728 1.00 0.00 H new ATOM 724 N ASP A 47 -17.775 28.742 -32.900 1.00 0.00 N ATOM 725 CA ASP A 47 -18.228 29.638 -33.983 1.00 0.00 C ATOM 726 C ASP A 47 -19.722 29.462 -34.352 1.00 0.00 C ATOM 727 O ASP A 47 -20.344 30.369 -34.910 1.00 0.00 O ATOM 728 CB ASP A 47 -17.325 29.403 -35.203 1.00 0.00 C ATOM 729 CG ASP A 47 -17.634 30.358 -36.370 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.344 31.573 -36.253 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.127 29.888 -37.425 1.00 0.00 O ATOM 0 H ASP A 47 -17.024 28.114 -33.187 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.146 30.666 -33.631 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.283 29.525 -34.906 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.441 28.374 -35.542 1.00 0.00 H new ATOM 736 N ASP A 48 -20.322 28.319 -33.998 1.00 0.00 N ATOM 737 CA ASP A 48 -21.766 28.052 -34.114 1.00 0.00 C ATOM 738 C ASP A 48 -22.618 28.793 -33.053 1.00 0.00 C ATOM 739 O ASP A 48 -23.845 28.861 -33.167 1.00 0.00 O ATOM 740 CB ASP A 48 -21.966 26.532 -34.023 1.00 0.00 C ATOM 741 CG ASP A 48 -23.399 26.092 -34.371 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.835 26.299 -35.531 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.080 25.490 -33.504 1.00 0.00 O ATOM 0 H ASP A 48 -19.804 27.530 -33.612 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.116 28.437 -35.072 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.266 26.038 -34.697 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.725 26.199 -33.014 1.00 0.00 H new ATOM 748 N ALA A 49 -21.971 29.358 -32.029 1.00 0.00 N ATOM 749 CA ALA A 49 -22.563 30.058 -30.887 1.00 0.00 C ATOM 750 C ALA A 49 -22.087 31.525 -30.773 1.00 0.00 C ATOM 751 O ALA A 49 -21.205 31.982 -31.504 1.00 0.00 O ATOM 752 CB ALA A 49 -22.226 29.252 -29.622 1.00 0.00 C ATOM 0 H ALA A 49 -20.953 29.337 -31.973 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.643 30.120 -31.022 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.653 29.747 -28.750 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.641 28.248 -29.709 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.144 29.188 -29.509 1.00 0.00 H new ATOM 758 N GLU A 50 -22.669 32.267 -29.827 1.00 0.00 N ATOM 759 CA GLU A 50 -22.302 33.641 -29.458 1.00 0.00 C ATOM 760 C GLU A 50 -22.273 33.832 -27.928 1.00 0.00 C ATOM 761 O GLU A 50 -22.814 33.006 -27.193 1.00 0.00 O ATOM 762 CB GLU A 50 -23.259 34.632 -30.145 1.00 0.00 C ATOM 763 CG GLU A 50 -24.706 34.578 -29.628 1.00 0.00 C ATOM 764 CD GLU A 50 -25.610 35.537 -30.426 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.694 36.739 -30.071 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.253 35.097 -31.412 1.00 0.00 O ATOM 0 H GLU A 50 -23.446 31.911 -29.270 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.289 33.840 -29.808 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.875 35.643 -30.009 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.261 34.433 -31.217 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.088 33.560 -29.709 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.729 34.844 -28.571 1.00 0.00 H new ATOM 773 N ILE A 51 -21.650 34.918 -27.457 1.00 0.00 N ATOM 774 CA ILE A 51 -21.449 35.298 -26.055 1.00 0.00 C ATOM 775 C ILE A 51 -22.658 36.085 -25.516 1.00 0.00 C ATOM 776 O ILE A 51 -22.874 37.238 -25.911 1.00 0.00 O ATOM 777 CB ILE A 51 -20.169 36.147 -25.879 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.974 35.679 -26.740 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.781 36.213 -24.395 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.465 34.264 -26.466 1.00 0.00 C ATOM 0 H ILE A 51 -21.243 35.604 -28.093 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.340 34.374 -25.487 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.413 37.145 -26.244 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.260 35.744 -27.790 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.149 36.376 -26.591 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.878 36.813 -24.281 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.593 36.667 -23.827 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.596 35.206 -24.022 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.627 34.044 -27.127 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.138 34.189 -25.429 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.267 33.548 -26.646 1.00 0.00 H new ATOM 792 N PRO A 52 -23.451 35.501 -24.610 1.00 0.00 N ATOM 793 CA PRO A 52 -24.447 36.217 -23.828 1.00 0.00 C ATOM 794 C PRO A 52 -23.781 37.097 -22.755 1.00 0.00 C ATOM 795 O PRO A 52 -22.705 36.777 -22.244 1.00 0.00 O ATOM 796 CB PRO A 52 -25.329 35.124 -23.225 1.00 0.00 C ATOM 797 CG PRO A 52 -24.390 33.928 -23.094 1.00 0.00 C ATOM 798 CD PRO A 52 -23.394 34.107 -24.231 1.00 0.00 C ATOM 0 HA PRO A 52 -25.035 36.909 -24.431 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.732 35.424 -22.258 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.179 34.896 -23.868 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.891 33.918 -22.125 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.931 32.986 -23.183 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.388 33.832 -23.913 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.648 33.465 -25.074 1.00 0.00 H new ATOM 806 N GLY A 53 -24.452 38.193 -22.386 1.00 0.00 N ATOM 807 CA GLY A 53 -24.023 39.161 -21.361 1.00 0.00 C ATOM 808 C GLY A 53 -23.604 38.550 -20.014 1.00 0.00 C ATOM 809 O GLY A 53 -22.742 39.100 -19.325 1.00 0.00 O ATOM 0 H GLY A 53 -25.346 38.444 -22.808 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.186 39.736 -21.756 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.838 39.863 -21.185 1.00 0.00 H new ATOM 813 N THR A 54 -24.184 37.408 -19.634 1.00 0.00 N ATOM 814 CA THR A 54 -23.757 36.614 -18.475 1.00 0.00 C ATOM 815 C THR A 54 -23.793 35.100 -18.746 1.00 0.00 C ATOM 816 O THR A 54 -24.472 34.638 -19.668 1.00 0.00 O ATOM 817 CB THR A 54 -24.662 36.884 -17.252 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.004 36.542 -17.544 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.727 38.347 -16.823 1.00 0.00 C ATOM 0 H THR A 54 -24.977 37.001 -20.130 1.00 0.00 H new ATOM 0 HA THR A 54 -22.730 36.921 -18.276 1.00 0.00 H new ATOM 0 HB THR A 54 -24.214 36.284 -16.460 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.564 36.717 -16.759 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.384 38.444 -15.959 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.728 38.694 -16.560 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.116 38.950 -17.644 1.00 0.00 H new ATOM 827 N TRP A 55 -23.058 34.317 -17.947 1.00 0.00 N ATOM 828 CA TRP A 55 -22.934 32.855 -18.068 1.00 0.00 C ATOM 829 C TRP A 55 -22.514 32.203 -16.736 1.00 0.00 C ATOM 830 O TRP A 55 -21.788 32.804 -15.944 1.00 0.00 O ATOM 831 CB TRP A 55 -21.913 32.521 -19.162 1.00 0.00 C ATOM 832 CG TRP A 55 -21.897 31.092 -19.606 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.075 30.141 -19.123 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.709 30.426 -20.621 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.277 28.953 -19.792 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.281 29.068 -20.729 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.759 30.835 -21.469 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.852 28.170 -21.644 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.344 29.943 -22.389 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.891 28.614 -22.481 1.00 0.00 C ATOM 0 H TRP A 55 -22.514 34.694 -17.171 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.911 32.452 -18.334 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.114 33.151 -20.028 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.919 32.783 -18.801 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.361 30.288 -18.326 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.750 28.097 -19.616 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.121 31.851 -21.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.498 27.151 -21.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.146 30.282 -23.028 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.340 27.937 -23.192 1.00 0.00 H new ATOM 851 N LEU A 56 -22.958 30.973 -16.461 1.00 0.00 N ATOM 852 CA LEU A 56 -22.621 30.242 -15.234 1.00 0.00 C ATOM 853 C LEU A 56 -21.142 29.802 -15.222 1.00 0.00 C ATOM 854 O LEU A 56 -20.672 29.126 -16.141 1.00 0.00 O ATOM 855 CB LEU A 56 -23.584 29.047 -15.079 1.00 0.00 C ATOM 856 CG LEU A 56 -24.192 28.913 -13.674 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.326 27.890 -13.687 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.163 28.448 -12.649 1.00 0.00 C ATOM 0 H LEU A 56 -23.568 30.451 -17.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.744 30.904 -14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.391 29.147 -15.805 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.049 28.129 -15.322 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.557 29.901 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.749 27.803 -12.686 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.101 28.214 -14.382 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.938 26.921 -14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.636 28.367 -11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.770 27.475 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.347 29.169 -12.599 1.00 0.00 H new ATOM 870 N CYS A 57 -20.416 30.163 -14.167 1.00 0.00 N ATOM 871 CA CYS A 57 -19.001 29.829 -13.981 1.00 0.00 C ATOM 872 C CYS A 57 -18.812 28.485 -13.263 1.00 0.00 C ATOM 873 O CYS A 57 -19.701 28.017 -12.545 1.00 0.00 O ATOM 874 CB CYS A 57 -18.310 30.964 -13.213 1.00 0.00 C ATOM 875 SG CYS A 57 -18.185 32.431 -14.266 1.00 0.00 S ATOM 0 H CYS A 57 -20.802 30.709 -13.397 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.543 29.721 -14.964 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.874 31.200 -12.310 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.317 30.648 -12.895 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.601 33.388 -13.609 1.00 0.00 H new ATOM 881 N ARG A 58 -17.614 27.889 -13.378 1.00 0.00 N ATOM 882 CA ARG A 58 -17.294 26.571 -12.785 1.00 0.00 C ATOM 883 C ARG A 58 -17.343 26.549 -11.245 1.00 0.00 C ATOM 884 O ARG A 58 -17.467 25.478 -10.651 1.00 0.00 O ATOM 885 CB ARG A 58 -15.977 26.021 -13.391 1.00 0.00 C ATOM 886 CG ARG A 58 -14.768 25.985 -12.440 1.00 0.00 C ATOM 887 CD ARG A 58 -13.460 25.634 -13.164 1.00 0.00 C ATOM 888 NE ARG A 58 -13.460 24.248 -13.674 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.521 23.676 -14.408 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.444 24.311 -14.778 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.647 22.438 -14.791 1.00 0.00 N ATOM 0 H ARG A 58 -16.834 28.306 -13.886 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.091 25.880 -13.061 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.160 25.010 -13.754 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.716 26.628 -14.258 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.662 26.956 -11.955 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.951 25.254 -11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.309 26.325 -13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.621 25.768 -12.481 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.268 23.673 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.304 25.283 -14.501 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.741 23.836 -15.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.474 21.903 -14.525 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.919 22.003 -15.357 1.00 0.00 H new ATOM 905 N ASN A 59 -17.316 27.724 -10.607 1.00 0.00 N ATOM 906 CA ASN A 59 -17.535 27.905 -9.165 1.00 0.00 C ATOM 907 C ASN A 59 -18.972 27.531 -8.716 1.00 0.00 C ATOM 908 O ASN A 59 -19.234 27.318 -7.531 1.00 0.00 O ATOM 909 CB ASN A 59 -17.218 29.379 -8.851 1.00 0.00 C ATOM 910 CG ASN A 59 -17.375 29.809 -7.397 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.134 29.062 -6.460 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.719 31.057 -7.166 1.00 0.00 N ATOM 0 H ASN A 59 -17.136 28.603 -11.093 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.884 27.230 -8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.192 29.581 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.864 30.006 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.784 31.399 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.921 31.683 -7.946 1.00 0.00 H new ATOM 919 N GLY A 60 -19.913 27.442 -9.662 1.00 0.00 N ATOM 920 CA GLY A 60 -21.342 27.219 -9.415 1.00 0.00 C ATOM 921 C GLY A 60 -22.142 28.517 -9.238 1.00 0.00 C ATOM 922 O GLY A 60 -23.294 28.466 -8.803 1.00 0.00 O ATOM 0 H GLY A 60 -19.693 27.526 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.762 26.653 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.457 26.606 -8.521 1.00 0.00 H new ATOM 926 N MET A 61 -21.547 29.674 -9.563 1.00 0.00 N ATOM 927 CA MET A 61 -22.165 30.999 -9.473 1.00 0.00 C ATOM 928 C MET A 61 -22.329 31.640 -10.858 1.00 0.00 C ATOM 929 O MET A 61 -21.498 31.452 -11.749 1.00 0.00 O ATOM 930 CB MET A 61 -21.314 31.858 -8.525 1.00 0.00 C ATOM 931 CG MET A 61 -21.964 33.196 -8.141 1.00 0.00 C ATOM 932 SD MET A 61 -23.628 33.112 -7.419 1.00 0.00 S ATOM 933 CE MET A 61 -23.249 32.372 -5.806 1.00 0.00 C ATOM 0 H MET A 61 -20.588 29.711 -9.908 1.00 0.00 H new ATOM 0 HA MET A 61 -23.174 30.915 -9.070 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.114 31.289 -7.617 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.351 32.056 -8.996 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.309 33.702 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.010 33.821 -9.033 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.170 32.252 -5.235 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.784 31.397 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.565 33.021 -5.259 1.00 0.00 H new ATOM 943 N GLU A 62 -23.388 32.428 -11.039 1.00 0.00 N ATOM 944 CA GLU A 62 -23.639 33.197 -12.263 1.00 0.00 C ATOM 945 C GLU A 62 -22.590 34.310 -12.426 1.00 0.00 C ATOM 946 O GLU A 62 -22.554 35.274 -11.656 1.00 0.00 O ATOM 947 CB GLU A 62 -25.068 33.768 -12.259 1.00 0.00 C ATOM 948 CG GLU A 62 -26.129 32.664 -12.365 1.00 0.00 C ATOM 949 CD GLU A 62 -27.548 33.264 -12.402 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.165 33.450 -11.324 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.064 33.548 -13.511 1.00 0.00 O ATOM 0 H GLU A 62 -24.109 32.554 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.551 32.529 -13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.228 34.338 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.183 34.463 -13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.956 32.074 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.039 31.986 -11.517 1.00 0.00 H new ATOM 958 N GLY A 63 -21.710 34.154 -13.415 1.00 0.00 N ATOM 959 CA GLY A 63 -20.687 35.128 -13.780 1.00 0.00 C ATOM 960 C GLY A 63 -21.180 36.159 -14.800 1.00 0.00 C ATOM 961 O GLY A 63 -21.989 35.844 -15.674 1.00 0.00 O ATOM 0 H GLY A 63 -21.691 33.319 -14.001 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.349 35.646 -12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.824 34.604 -14.190 1.00 0.00 H new ATOM 965 N THR A 64 -20.653 37.385 -14.738 1.00 0.00 N ATOM 966 CA THR A 64 -20.942 38.454 -15.712 1.00 0.00 C ATOM 967 C THR A 64 -19.741 38.758 -16.601 1.00 0.00 C ATOM 968 O THR A 64 -18.607 38.807 -16.126 1.00 0.00 O ATOM 969 CB THR A 64 -21.421 39.739 -15.017 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.567 39.474 -14.235 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.800 40.852 -16.002 1.00 0.00 C ATOM 0 H THR A 64 -20.006 37.672 -14.004 1.00 0.00 H new ATOM 0 HA THR A 64 -21.747 38.082 -16.346 1.00 0.00 H new ATOM 0 HB THR A 64 -20.581 40.074 -14.409 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.862 40.299 -13.796 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.130 41.731 -15.448 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.933 41.110 -16.610 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.607 40.507 -16.648 1.00 0.00 H new ATOM 979 N LEU A 65 -20.000 38.955 -17.896 1.00 0.00 N ATOM 980 CA LEU A 65 -19.000 39.115 -18.950 1.00 0.00 C ATOM 981 C LEU A 65 -18.004 40.267 -18.724 1.00 0.00 C ATOM 982 O LEU A 65 -18.386 41.434 -18.606 1.00 0.00 O ATOM 983 CB LEU A 65 -19.759 39.262 -20.282 1.00 0.00 C ATOM 984 CG LEU A 65 -18.896 39.211 -21.552 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.295 37.846 -21.802 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.745 39.595 -22.766 1.00 0.00 C ATOM 0 H LEU A 65 -20.954 39.009 -18.252 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.362 38.231 -18.954 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.507 38.471 -20.342 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.297 40.210 -20.269 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.078 39.915 -21.402 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.697 37.873 -22.713 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.662 37.567 -20.960 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.093 37.112 -21.914 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.131 39.558 -23.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.576 38.896 -22.865 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.134 40.605 -22.633 1.00 0.00 H new ATOM 998 N ILE A 66 -16.717 39.917 -18.747 1.00 0.00 N ATOM 999 CA ILE A 66 -15.547 40.799 -18.836 1.00 0.00 C ATOM 1000 C ILE A 66 -14.637 40.322 -19.985 1.00 0.00 C ATOM 1001 O ILE A 66 -14.716 39.169 -20.413 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.792 40.936 -17.491 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.070 39.657 -17.015 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.697 41.507 -16.380 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.952 38.579 -16.408 1.00 0.00 C ATOM 0 H ILE A 66 -16.442 38.936 -18.700 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.892 41.808 -19.062 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.997 41.652 -17.701 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.538 39.227 -17.864 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.319 39.941 -16.278 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.129 41.587 -15.453 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.054 42.494 -16.673 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.548 40.844 -16.227 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.336 37.730 -16.111 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.465 38.979 -15.534 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.688 38.254 -17.144 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.812 41.206 -20.550 1.00 0.00 N ATOM 1018 CA GLU A 67 -13.048 40.914 -21.775 1.00 0.00 C ATOM 1019 C GLU A 67 -12.062 39.734 -21.614 1.00 0.00 C ATOM 1020 O GLU A 67 -11.046 39.834 -20.923 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.320 42.176 -22.275 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.291 43.313 -22.623 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.565 44.484 -23.309 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -11.911 45.298 -22.613 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.674 44.600 -24.553 1.00 0.00 O ATOM 0 H GLU A 67 -13.652 42.142 -20.177 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.774 40.602 -22.525 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.624 42.518 -21.509 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.728 41.926 -23.155 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.075 42.935 -23.279 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.778 43.668 -21.715 1.00 0.00 H new ATOM 1032 N GLY A 68 -12.355 38.614 -22.288 1.00 0.00 N ATOM 1033 CA GLY A 68 -11.469 37.444 -22.425 1.00 0.00 C ATOM 1034 C GLY A 68 -10.579 37.453 -23.681 1.00 0.00 C ATOM 1035 O GLY A 68 -9.692 36.610 -23.811 1.00 0.00 O ATOM 0 H GLY A 68 -13.245 38.491 -22.770 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.830 37.385 -21.544 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.081 36.542 -22.436 1.00 0.00 H new ATOM 1039 N ASP A 69 -10.782 38.410 -24.592 1.00 0.00 N ATOM 1040 CA ASP A 69 -10.150 38.476 -25.924 1.00 0.00 C ATOM 1041 C ASP A 69 -8.790 39.225 -25.934 1.00 0.00 C ATOM 1042 O ASP A 69 -8.315 39.687 -26.972 1.00 0.00 O ATOM 1043 CB ASP A 69 -11.195 39.050 -26.900 1.00 0.00 C ATOM 1044 CG ASP A 69 -10.843 38.899 -28.391 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -10.343 37.824 -28.803 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -11.153 39.836 -29.167 1.00 0.00 O ATOM 0 H ASP A 69 -11.414 39.192 -24.420 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.865 37.475 -26.248 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.151 38.559 -26.716 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.333 40.109 -26.680 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.151 39.354 -24.766 1.00 0.00 N ATOM 1052 CA LEU A 70 -6.846 40.002 -24.566 1.00 0.00 C ATOM 1053 C LEU A 70 -5.674 39.178 -25.162 1.00 0.00 C ATOM 1054 O LEU A 70 -5.820 37.962 -25.335 1.00 0.00 O ATOM 1055 CB LEU A 70 -6.659 40.281 -23.057 1.00 0.00 C ATOM 1056 CG LEU A 70 -7.140 41.676 -22.614 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -8.648 41.866 -22.773 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -6.788 41.903 -21.144 1.00 0.00 C ATOM 0 H LEU A 70 -8.544 38.995 -23.896 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.833 40.946 -25.110 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.199 39.524 -22.488 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.603 40.175 -22.806 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.636 42.394 -23.261 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.925 42.868 -22.444 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.922 41.739 -23.820 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.174 41.127 -22.168 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.130 42.891 -20.836 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.274 41.143 -20.532 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.708 41.837 -21.014 1.00 0.00 H new ATOM 1070 N PRO A 71 -4.506 39.799 -25.462 1.00 0.00 N ATOM 1071 CA PRO A 71 -4.117 41.190 -25.154 1.00 0.00 C ATOM 1072 C PRO A 71 -4.735 42.289 -26.037 1.00 0.00 C ATOM 1073 O PRO A 71 -4.666 43.466 -25.686 1.00 0.00 O ATOM 1074 CB PRO A 71 -2.585 41.228 -25.286 1.00 0.00 C ATOM 1075 CG PRO A 71 -2.157 39.768 -25.179 1.00 0.00 C ATOM 1076 CD PRO A 71 -3.316 39.060 -25.866 1.00 0.00 C ATOM 0 HA PRO A 71 -4.497 41.423 -24.159 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.279 41.663 -26.238 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.134 41.833 -24.500 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.207 39.581 -25.680 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.038 39.450 -24.143 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.196 39.068 -26.949 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.377 38.016 -25.559 1.00 0.00 H new ATOM 1084 N GLU A 72 -5.326 41.924 -27.177 1.00 0.00 N ATOM 1085 CA GLU A 72 -5.784 42.838 -28.234 1.00 0.00 C ATOM 1086 C GLU A 72 -7.277 42.628 -28.591 1.00 0.00 C ATOM 1087 O GLU A 72 -7.602 42.181 -29.697 1.00 0.00 O ATOM 1088 CB GLU A 72 -4.813 42.745 -29.430 1.00 0.00 C ATOM 1089 CG GLU A 72 -4.545 41.333 -29.983 1.00 0.00 C ATOM 1090 CD GLU A 72 -3.586 41.394 -31.188 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -2.348 41.329 -30.989 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -4.059 41.500 -32.347 1.00 0.00 O ATOM 0 H GLU A 72 -5.507 40.946 -27.401 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.755 43.866 -27.873 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.207 43.360 -30.239 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.860 43.182 -29.132 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.116 40.706 -29.201 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.485 40.870 -30.283 1.00 0.00 H new ATOM 1099 N PRO A 73 -8.210 42.923 -27.661 1.00 0.00 N ATOM 1100 CA PRO A 73 -9.630 42.615 -27.821 1.00 0.00 C ATOM 1101 C PRO A 73 -10.305 43.397 -28.958 1.00 0.00 C ATOM 1102 O PRO A 73 -10.056 44.592 -29.157 1.00 0.00 O ATOM 1103 CB PRO A 73 -10.277 42.919 -26.467 1.00 0.00 C ATOM 1104 CG PRO A 73 -9.373 44.007 -25.893 1.00 0.00 C ATOM 1105 CD PRO A 73 -7.990 43.568 -26.373 1.00 0.00 C ATOM 0 HA PRO A 73 -9.754 41.571 -28.109 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.305 43.265 -26.579 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.306 42.038 -25.826 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.638 44.996 -26.267 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.431 44.052 -24.805 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.320 44.422 -26.471 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.529 42.881 -25.664 1.00 0.00 H new ATOM 1113 N LYS A 74 -11.210 42.725 -29.677 1.00 0.00 N ATOM 1114 CA LYS A 74 -12.011 43.303 -30.769 1.00 0.00 C ATOM 1115 C LYS A 74 -13.168 44.161 -30.233 1.00 0.00 C ATOM 1116 O LYS A 74 -13.809 43.808 -29.235 1.00 0.00 O ATOM 1117 CB LYS A 74 -12.490 42.165 -31.691 1.00 0.00 C ATOM 1118 CG LYS A 74 -13.029 42.670 -33.039 1.00 0.00 C ATOM 1119 CD LYS A 74 -13.440 41.497 -33.939 1.00 0.00 C ATOM 1120 CE LYS A 74 -13.988 42.017 -35.274 1.00 0.00 C ATOM 1121 NZ LYS A 74 -14.370 40.902 -36.179 1.00 0.00 N ATOM 0 H LYS A 74 -11.413 41.739 -29.514 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.393 43.984 -31.354 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.663 41.478 -31.871 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.270 41.598 -31.184 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.886 43.322 -32.871 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.267 43.268 -33.539 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.582 40.849 -34.118 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.197 40.893 -33.438 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.856 42.651 -35.090 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.236 42.639 -35.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.736 41.290 -37.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.536 40.312 -36.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.105 40.323 -35.725 1.00 0.00 H new ATOM 1135 N LYS A 75 -13.484 45.271 -30.911 1.00 0.00 N ATOM 1136 CA LYS A 75 -14.574 46.193 -30.532 1.00 0.00 C ATOM 1137 C LYS A 75 -15.939 45.750 -31.089 1.00 0.00 C ATOM 1138 O LYS A 75 -16.576 46.451 -31.877 1.00 0.00 O ATOM 1139 CB LYS A 75 -14.195 47.650 -30.867 1.00 0.00 C ATOM 1140 CG LYS A 75 -15.034 48.615 -30.006 1.00 0.00 C ATOM 1141 CD LYS A 75 -14.901 50.092 -30.396 1.00 0.00 C ATOM 1142 CE LYS A 75 -15.510 50.350 -31.780 1.00 0.00 C ATOM 1143 NZ LYS A 75 -15.832 51.783 -31.972 1.00 0.00 N ATOM 0 H LYS A 75 -12.985 45.563 -31.752 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.700 46.151 -29.450 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.133 47.812 -30.682 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.368 47.847 -31.925 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.083 48.326 -30.076 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.741 48.500 -28.963 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.400 50.715 -29.653 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.849 50.378 -30.398 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.812 50.026 -32.552 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.415 49.754 -31.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.258 51.920 -32.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.504 52.089 -31.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.961 52.347 -31.901 1.00 0.00 H new ATOM 1157 N VAL A 76 -16.412 44.590 -30.632 1.00 0.00 N ATOM 1158 CA VAL A 76 -17.784 44.078 -30.865 1.00 0.00 C ATOM 1159 C VAL A 76 -18.779 44.548 -29.782 1.00 0.00 C ATOM 1160 O VAL A 76 -19.751 43.861 -29.464 1.00 0.00 O ATOM 1161 CB VAL A 76 -17.789 42.544 -31.069 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -16.992 42.163 -32.321 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -17.213 41.766 -29.877 1.00 0.00 C ATOM 0 H VAL A 76 -15.843 43.955 -30.072 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.140 44.516 -31.797 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.838 42.268 -31.175 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.008 41.080 -32.447 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.439 42.636 -33.195 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.961 42.501 -32.213 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.248 40.697 -30.089 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.180 42.069 -29.710 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.802 41.978 -28.985 1.00 0.00 H new ATOM 1173 N LYS A 77 -18.529 45.735 -29.208 1.00 0.00 N ATOM 1174 CA LYS A 77 -19.278 46.355 -28.101 1.00 0.00 C ATOM 1175 C LYS A 77 -19.515 47.850 -28.398 1.00 0.00 C ATOM 1176 O LYS A 77 -18.559 48.513 -28.812 1.00 0.00 O ATOM 1177 CB LYS A 77 -18.515 46.199 -26.767 1.00 0.00 C ATOM 1178 CG LYS A 77 -18.333 44.746 -26.279 1.00 0.00 C ATOM 1179 CD LYS A 77 -17.040 44.040 -26.730 1.00 0.00 C ATOM 1180 CE LYS A 77 -15.788 44.641 -26.077 1.00 0.00 C ATOM 1181 NZ LYS A 77 -14.560 43.885 -26.436 1.00 0.00 N ATOM 0 H LYS A 77 -17.756 46.322 -29.521 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.239 45.848 -28.010 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.531 46.655 -26.875 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -19.044 46.760 -25.997 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.364 44.743 -25.189 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.184 44.158 -26.624 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.102 42.980 -26.483 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.950 44.110 -27.814 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.679 45.680 -26.388 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.909 44.644 -24.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.771 44.200 -25.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.723 42.868 -26.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.326 44.057 -27.435 1.00 0.00 H new ATOM 1195 N PRO A 78 -20.731 48.405 -28.216 1.00 0.00 N ATOM 1196 CA PRO A 78 -21.015 49.820 -28.499 1.00 0.00 C ATOM 1197 C PRO A 78 -20.205 50.819 -27.640 1.00 0.00 C ATOM 1198 O PRO A 78 -19.844 50.485 -26.504 1.00 0.00 O ATOM 1199 CB PRO A 78 -22.522 49.996 -28.269 1.00 0.00 C ATOM 1200 CG PRO A 78 -23.084 48.596 -28.492 1.00 0.00 C ATOM 1201 CD PRO A 78 -21.979 47.703 -27.935 1.00 0.00 C ATOM 0 HA PRO A 78 -20.713 50.049 -29.521 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -22.735 50.358 -27.263 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -22.952 50.716 -28.965 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -24.028 48.449 -27.967 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -23.273 48.398 -29.547 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -22.106 47.543 -26.864 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -21.992 46.721 -28.408 1.00 0.00 H new ATOM 1209 N PRO A 79 -19.969 52.061 -28.122 1.00 0.00 N ATOM 1210 CA PRO A 79 -20.314 52.577 -29.455 1.00 0.00 C ATOM 1211 C PRO A 79 -19.438 51.978 -30.571 1.00 0.00 C ATOM 1212 O PRO A 79 -18.223 51.835 -30.404 1.00 0.00 O ATOM 1213 CB PRO A 79 -20.140 54.102 -29.378 1.00 0.00 C ATOM 1214 CG PRO A 79 -20.142 54.405 -27.880 1.00 0.00 C ATOM 1215 CD PRO A 79 -19.484 53.158 -27.298 1.00 0.00 C ATOM 0 HA PRO A 79 -21.335 52.296 -29.713 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -19.209 54.421 -29.847 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -20.950 54.622 -29.890 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.579 55.309 -27.647 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.152 54.550 -27.495 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -18.397 53.230 -27.336 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.758 53.018 -26.252 1.00 0.00 H new ATOM 1223 N ARG A 80 -20.049 51.635 -31.713 1.00 0.00 N ATOM 1224 CA ARG A 80 -19.376 50.982 -32.857 1.00 0.00 C ATOM 1225 C ARG A 80 -18.841 52.002 -33.870 1.00 0.00 C ATOM 1226 O ARG A 80 -17.607 52.022 -34.074 1.00 0.00 O ATOM 1227 CB ARG A 80 -20.270 49.918 -33.526 1.00 0.00 C ATOM 1228 CG ARG A 80 -20.954 48.915 -32.576 1.00 0.00 C ATOM 1229 CD ARG A 80 -19.996 47.914 -31.906 1.00 0.00 C ATOM 1230 NE ARG A 80 -19.245 47.058 -32.844 1.00 0.00 N ATOM 1231 CZ ARG A 80 -19.693 46.089 -33.617 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -20.944 45.731 -33.650 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -18.861 45.437 -34.373 1.00 0.00 N ATOM 1234 OXT ARG A 80 -19.641 52.789 -34.426 1.00 0.00 O ATOM 0 H ARG A 80 -21.042 51.804 -31.876 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.511 50.457 -32.452 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -21.043 50.430 -34.099 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -19.663 49.358 -34.238 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -21.480 49.470 -31.799 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -21.706 48.359 -33.136 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -19.286 48.467 -31.292 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -20.570 47.277 -31.234 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.243 47.241 -32.902 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -21.626 46.207 -33.060 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.242 44.974 -34.266 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.870 45.677 -34.365 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.199 44.686 -34.974 1.00 0.00 H new TER 1248 ARG A 80