USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 71 MET CE :methyl -168:sc= -1.29 (180deg=-1.71) USER MOD Set 1.2: A 72 THR OG1 : rot 74:sc= 0.669 USER MOD Set 2.1: A 49 ASN : amide:sc= -0.214 X(o=0.73,f=0.83) USER MOD Set 2.2: A 74 CYS SG : rot -88:sc= 0.948 USER MOD Set 3.1: A 42 THR OG1 : rot 20:sc= 1.41 USER MOD Set 3.2: A 44 THR OG1 : rot 125:sc= 1.32 USER MOD Set 4.1: A 26 LYS NZ :NH3+ -173:sc= 1.2 (180deg=0.158) USER MOD Set 4.2: A 27 THR OG1 : rot 150:sc= 0.734 USER MOD Set 5.1: A 25 TYR OH : rot 180:sc= 0.283 USER MOD Set 5.2: A 39 ASN : amide:sc= -1.8! X(o=-1.5!,f=-1.1) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.37 (180deg=1.35) USER MOD Single : A 20 TYR OH : rot 162:sc= 1.21 USER MOD Single : A 32 GLN : amide:sc= 0.701 K(o=0.7,f=-0.21) USER MOD Single : A 34 SER OG : rot -131:sc= 0.732 USER MOD Single : A 35 GLN : amide:sc= -0.0185 K(o=-0.019,f=-2) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.13) USER MOD Single : A 41 MET CE :methyl -141:sc= 0 (180deg=-0.178) USER MOD Single : A 48 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.041) USER MOD Single : A 51 ASN : amide:sc= -0.105 K(o=-0.11,f=-9.5!) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.951 USER MOD Single : A 55 LYS NZ :NH3+ 145:sc= 1.2 (180deg=0.962) USER MOD Single : A 56 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 1.9 (180deg=0.547) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 70 MET CE :methyl 170:sc= 0 (180deg=-0.0945) USER MOD Single : A 75 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.248 -11.933 -0.093 1.00 0.00 N ATOM 71 CA ILE A 6 1.825 -12.558 1.176 1.00 0.00 C ATOM 72 C ILE A 6 1.598 -11.504 2.271 1.00 0.00 C ATOM 73 O ILE A 6 0.474 -11.371 2.758 1.00 0.00 O ATOM 74 CB ILE A 6 2.775 -13.700 1.642 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.859 -13.939 3.172 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.225 -13.558 1.139 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.549 -13.954 3.978 1.00 0.00 C ATOM 0 HA ILE A 6 0.866 -13.039 0.981 1.00 0.00 H new ATOM 0 HB ILE A 6 2.284 -14.557 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.360 -14.894 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.501 -13.167 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.821 -14.393 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.234 -13.559 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.647 -12.622 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.771 -14.132 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.045 -12.994 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.901 -14.747 3.605 1.00 0.00 H new ATOM 89 N LEU A 7 2.642 -10.776 2.696 1.00 0.00 N ATOM 90 CA LEU A 7 2.610 -9.918 3.894 1.00 0.00 C ATOM 91 C LEU A 7 1.538 -8.814 3.893 1.00 0.00 C ATOM 92 O LEU A 7 1.218 -8.265 4.946 1.00 0.00 O ATOM 93 CB LEU A 7 4.010 -9.358 4.213 1.00 0.00 C ATOM 94 CG LEU A 7 4.556 -8.292 3.237 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.584 -7.418 3.958 1.00 0.00 C ATOM 96 CD2 LEU A 7 5.257 -8.910 2.026 1.00 0.00 C ATOM 0 H LEU A 7 3.541 -10.765 2.214 1.00 0.00 H new ATOM 0 HA LEU A 7 2.299 -10.582 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.987 -8.927 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.714 -10.190 4.241 1.00 0.00 H new ATOM 0 HG LEU A 7 3.698 -7.715 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.969 -6.666 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.111 -6.924 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.406 -8.040 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.621 -8.117 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.097 -9.518 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.553 -9.536 1.478 1.00 0.00 H new ATOM 108 N ASP A 8 0.942 -8.589 2.729 1.00 0.00 N ATOM 109 CA ASP A 8 -0.095 -7.632 2.391 1.00 0.00 C ATOM 110 C ASP A 8 -1.405 -7.926 3.123 1.00 0.00 C ATOM 111 O ASP A 8 -2.195 -7.030 3.408 1.00 0.00 O ATOM 112 CB ASP A 8 -0.355 -7.855 0.900 1.00 0.00 C ATOM 113 CG ASP A 8 0.587 -7.150 -0.069 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.660 -6.673 0.348 1.00 0.00 O ATOM 115 OD2 ASP A 8 0.257 -7.226 -1.274 1.00 0.00 O ATOM 0 H ASP A 8 1.206 -9.136 1.910 1.00 0.00 H new ATOM 0 HA ASP A 8 0.220 -6.623 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.308 -8.926 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.373 -7.534 0.680 1.00 0.00 H new ATOM 120 N ILE A 9 -1.640 -9.209 3.414 1.00 0.00 N ATOM 121 CA ILE A 9 -2.915 -9.723 3.916 1.00 0.00 C ATOM 122 C ILE A 9 -2.816 -10.281 5.328 1.00 0.00 C ATOM 123 O ILE A 9 -3.670 -11.051 5.767 1.00 0.00 O ATOM 124 CB ILE A 9 -3.522 -10.734 2.927 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.657 -12.010 2.823 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.741 -10.111 1.537 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.526 -13.227 2.543 1.00 0.00 C ATOM 0 H ILE A 9 -0.932 -9.935 3.304 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.597 -8.876 3.989 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.498 -11.018 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.920 -11.892 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.104 -12.157 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.171 -10.856 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.421 -9.264 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.786 -9.771 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.897 -14.115 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.245 -13.354 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.059 -13.085 1.603 1.00 0.00 H new ATOM 139 N ARG A 10 -1.722 -9.955 6.012 1.00 0.00 N ATOM 140 CA ARG A 10 -1.392 -10.382 7.369 1.00 0.00 C ATOM 141 C ARG A 10 -2.533 -10.223 8.354 1.00 0.00 C ATOM 142 O ARG A 10 -2.975 -9.133 8.683 1.00 0.00 O ATOM 143 CB ARG A 10 -0.169 -9.622 7.884 1.00 0.00 C ATOM 144 CG ARG A 10 1.105 -10.393 7.573 1.00 0.00 C ATOM 145 CD ARG A 10 1.233 -11.706 8.375 1.00 0.00 C ATOM 146 NE ARG A 10 2.650 -12.100 8.550 1.00 0.00 N ATOM 147 CZ ARG A 10 3.498 -12.451 7.593 1.00 0.00 C ATOM 148 NH1 ARG A 10 3.155 -12.570 6.352 1.00 0.00 N ATOM 149 NH2 ARG A 10 4.750 -12.707 7.812 1.00 0.00 N ATOM 0 H ARG A 10 -1.003 -9.353 5.612 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.178 -11.449 7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.126 -8.635 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.255 -9.468 8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.133 -10.622 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.966 -9.760 7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.765 -11.584 9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.694 -12.502 7.861 1.00 0.00 H new ATOM 0 HE ARG A 10 3.010 -12.101 9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.191 -12.391 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.848 -12.843 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.126 -12.642 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.359 -12.973 7.038 1.00 0.00 H new ATOM 163 N GLN A 11 -2.914 -11.378 8.876 1.00 0.00 N ATOM 164 CA GLN A 11 -3.842 -11.548 10.005 1.00 0.00 C ATOM 165 C GLN A 11 -3.327 -12.683 10.896 1.00 0.00 C ATOM 166 O GLN A 11 -3.436 -12.600 12.111 1.00 0.00 O ATOM 167 CB GLN A 11 -5.308 -11.796 9.552 1.00 0.00 C ATOM 168 CG GLN A 11 -5.553 -11.351 8.104 1.00 0.00 C ATOM 169 CD GLN A 11 -6.959 -11.420 7.553 1.00 0.00 C ATOM 170 OE1 GLN A 11 -7.925 -11.762 8.206 1.00 0.00 O ATOM 171 NE2 GLN A 11 -7.084 -11.117 6.279 1.00 0.00 N ATOM 0 H GLN A 11 -2.574 -12.269 8.514 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.870 -10.617 10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.541 -12.856 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.987 -11.259 10.215 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.212 -10.320 8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.915 -11.956 7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.266 -10.831 5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.998 -11.168 5.830 1.00 0.00 H new ATOM 180 N GLY A 12 -2.685 -13.702 10.294 1.00 0.00 N ATOM 181 CA GLY A 12 -2.148 -14.856 10.996 1.00 0.00 C ATOM 182 C GLY A 12 -3.243 -15.515 11.839 1.00 0.00 C ATOM 183 O GLY A 12 -3.061 -15.690 13.039 1.00 0.00 O ATOM 0 H GLY A 12 -2.528 -13.735 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.748 -15.574 10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.320 -14.550 11.636 1.00 0.00 H new ATOM 187 N PRO A 13 -4.384 -15.870 11.212 1.00 0.00 N ATOM 188 CA PRO A 13 -5.626 -16.282 11.879 1.00 0.00 C ATOM 189 C PRO A 13 -5.535 -17.580 12.703 1.00 0.00 C ATOM 190 O PRO A 13 -6.527 -17.998 13.293 1.00 0.00 O ATOM 191 CB PRO A 13 -6.651 -16.383 10.744 1.00 0.00 C ATOM 192 CG PRO A 13 -5.785 -16.810 9.557 1.00 0.00 C ATOM 193 CD PRO A 13 -4.547 -15.965 9.764 1.00 0.00 C ATOM 0 HA PRO A 13 -5.899 -15.554 12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.429 -17.114 10.963 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.150 -15.431 10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.561 -17.877 9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.268 -16.603 8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.675 -16.425 9.299 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.664 -14.978 9.316 1.00 0.00 H new ATOM 201 N LYS A 14 -4.354 -18.215 12.747 1.00 0.00 N ATOM 202 CA LYS A 14 -3.980 -19.328 13.657 1.00 0.00 C ATOM 203 C LYS A 14 -4.902 -20.574 13.659 1.00 0.00 C ATOM 204 O LYS A 14 -4.729 -21.445 14.510 1.00 0.00 O ATOM 205 CB LYS A 14 -3.821 -18.701 15.061 1.00 0.00 C ATOM 206 CG LYS A 14 -3.077 -19.517 16.144 1.00 0.00 C ATOM 207 CD LYS A 14 -3.650 -19.322 17.562 1.00 0.00 C ATOM 208 CE LYS A 14 -5.144 -19.662 17.729 1.00 0.00 C ATOM 209 NZ LYS A 14 -5.476 -21.065 17.382 1.00 0.00 N ATOM 0 H LYS A 14 -3.590 -17.960 12.121 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.053 -19.766 13.287 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.301 -17.750 14.944 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.818 -18.475 15.440 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.121 -20.575 15.885 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.025 -19.232 16.143 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.076 -19.938 18.254 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.497 -18.284 17.857 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.438 -19.473 18.761 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.733 -18.992 17.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.498 -21.220 17.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.210 -21.250 16.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.953 -21.710 18.008 1.00 0.00 H new ATOM 223 N GLU A 15 -5.904 -20.664 12.785 1.00 0.00 N ATOM 224 CA GLU A 15 -6.971 -21.681 12.842 1.00 0.00 C ATOM 225 C GLU A 15 -7.556 -22.116 11.489 1.00 0.00 C ATOM 226 O GLU A 15 -7.762 -23.319 11.327 1.00 0.00 O ATOM 227 CB GLU A 15 -8.131 -21.210 13.746 1.00 0.00 C ATOM 228 CG GLU A 15 -7.651 -21.066 15.192 1.00 0.00 C ATOM 229 CD GLU A 15 -8.691 -21.138 16.302 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.844 -21.550 16.036 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.228 -20.948 17.448 1.00 0.00 O ATOM 0 H GLU A 15 -6.005 -20.022 11.999 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.468 -22.557 13.253 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.517 -20.256 13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.952 -21.925 13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.911 -21.845 15.377 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.136 -20.109 15.279 1.00 0.00 H new ATOM 238 N PRO A 16 -7.847 -21.225 10.521 1.00 0.00 N ATOM 239 CA PRO A 16 -8.211 -21.638 9.169 1.00 0.00 C ATOM 240 C PRO A 16 -6.962 -21.957 8.331 1.00 0.00 C ATOM 241 O PRO A 16 -5.882 -21.417 8.570 1.00 0.00 O ATOM 242 CB PRO A 16 -8.968 -20.451 8.592 1.00 0.00 C ATOM 243 CG PRO A 16 -8.297 -19.251 9.240 1.00 0.00 C ATOM 244 CD PRO A 16 -7.914 -19.772 10.624 1.00 0.00 C ATOM 0 HA PRO A 16 -8.811 -22.548 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.890 -20.416 7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.030 -20.496 8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.423 -18.925 8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.972 -18.397 9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.955 -19.362 10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.651 -19.470 11.369 1.00 0.00 H new ATOM 252 N PHE A 17 -7.114 -22.830 7.330 1.00 0.00 N ATOM 253 CA PHE A 17 -6.004 -23.339 6.505 1.00 0.00 C ATOM 254 C PHE A 17 -6.304 -23.168 5.005 1.00 0.00 C ATOM 255 O PHE A 17 -5.670 -22.343 4.357 1.00 0.00 O ATOM 256 CB PHE A 17 -5.651 -24.810 6.885 1.00 0.00 C ATOM 257 CG PHE A 17 -4.377 -25.036 7.707 1.00 0.00 C ATOM 258 CD1 PHE A 17 -4.117 -24.240 8.841 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.437 -26.037 7.350 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.891 -24.332 9.515 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.205 -26.137 8.039 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.924 -25.247 9.088 1.00 0.00 C ATOM 0 H PHE A 17 -8.022 -23.210 7.063 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.117 -22.741 6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.491 -25.225 7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.565 -25.385 5.963 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.870 -23.552 9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.663 -26.725 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.693 -23.695 10.365 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.486 -26.893 7.760 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.956 -25.269 9.567 1.00 0.00 H new ATOM 272 N ARG A 18 -7.263 -23.916 4.426 1.00 0.00 N ATOM 273 CA ARG A 18 -7.462 -24.004 2.956 1.00 0.00 C ATOM 274 C ARG A 18 -7.721 -22.671 2.241 1.00 0.00 C ATOM 275 O ARG A 18 -7.297 -22.424 1.118 1.00 0.00 O ATOM 276 CB ARG A 18 -8.533 -25.069 2.635 1.00 0.00 C ATOM 277 CG ARG A 18 -10.000 -24.890 3.098 1.00 0.00 C ATOM 278 CD ARG A 18 -10.718 -23.696 2.454 1.00 0.00 C ATOM 279 NE ARG A 18 -12.097 -23.962 1.990 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.731 -23.242 1.074 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.152 -22.254 0.447 1.00 0.00 N ATOM 282 NH2 ARG A 18 -13.970 -23.493 0.759 1.00 0.00 N ATOM 0 H ARG A 18 -7.925 -24.479 4.960 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.504 -24.317 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.552 -25.186 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.180 -26.012 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.555 -25.800 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.016 -24.769 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.746 -22.879 3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.127 -23.352 1.605 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.594 -24.752 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.183 -22.015 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.669 -21.721 -0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.469 -24.254 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.441 -22.928 0.052 1.00 0.00 H new ATOM 296 N ASP A 19 -8.500 -21.848 2.908 1.00 0.00 N ATOM 297 CA ASP A 19 -9.083 -20.592 2.417 1.00 0.00 C ATOM 298 C ASP A 19 -8.041 -19.490 2.255 1.00 0.00 C ATOM 299 O ASP A 19 -8.080 -18.742 1.283 1.00 0.00 O ATOM 300 CB ASP A 19 -10.188 -20.160 3.396 1.00 0.00 C ATOM 301 CG ASP A 19 -9.752 -20.385 4.848 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.870 -21.555 5.298 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.153 -19.453 5.417 1.00 0.00 O ATOM 0 H ASP A 19 -8.768 -22.040 3.873 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.498 -20.763 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.424 -19.107 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.099 -20.724 3.194 1.00 0.00 H new ATOM 308 N TYR A 20 -7.097 -19.453 3.188 1.00 0.00 N ATOM 309 CA TYR A 20 -5.953 -18.538 3.235 1.00 0.00 C ATOM 310 C TYR A 20 -4.720 -19.118 2.525 1.00 0.00 C ATOM 311 O TYR A 20 -3.953 -18.370 1.919 1.00 0.00 O ATOM 312 CB TYR A 20 -5.651 -18.281 4.721 1.00 0.00 C ATOM 313 CG TYR A 20 -4.870 -17.018 5.037 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.463 -17.034 5.094 1.00 0.00 C ATOM 315 CD2 TYR A 20 -5.572 -15.837 5.346 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.760 -15.878 5.490 1.00 0.00 C ATOM 317 CE2 TYR A 20 -4.874 -14.673 5.723 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.463 -14.693 5.796 1.00 0.00 C ATOM 319 OH TYR A 20 -2.772 -13.576 6.155 1.00 0.00 O ATOM 0 H TYR A 20 -7.106 -20.096 3.980 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.195 -17.613 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.597 -18.243 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.095 -19.134 5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.922 -17.932 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.651 -15.824 5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.682 -15.899 5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.416 -13.768 5.956 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.347 -12.789 6.054 1.00 0.00 H new ATOM 329 N VAL A 21 -4.543 -20.449 2.546 1.00 0.00 N ATOM 330 CA VAL A 21 -3.405 -21.112 1.883 1.00 0.00 C ATOM 331 C VAL A 21 -3.406 -20.928 0.376 1.00 0.00 C ATOM 332 O VAL A 21 -2.337 -20.778 -0.208 1.00 0.00 O ATOM 333 CB VAL A 21 -3.264 -22.599 2.240 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.101 -23.587 1.430 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.806 -22.990 2.083 1.00 0.00 C ATOM 0 H VAL A 21 -5.178 -21.092 3.018 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.529 -20.601 2.283 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.642 -22.674 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.909 -24.601 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.159 -23.355 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.834 -23.512 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.683 -24.044 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.493 -22.822 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.193 -22.385 2.752 1.00 0.00 H new ATOM 345 N ASP A 22 -4.595 -20.876 -0.226 1.00 0.00 N ATOM 346 CA ASP A 22 -4.802 -20.440 -1.609 1.00 0.00 C ATOM 347 C ASP A 22 -4.083 -19.111 -1.842 1.00 0.00 C ATOM 348 O ASP A 22 -3.070 -18.993 -2.539 1.00 0.00 O ATOM 349 CB ASP A 22 -6.318 -20.275 -1.756 1.00 0.00 C ATOM 350 CG ASP A 22 -6.864 -19.741 -3.089 1.00 0.00 C ATOM 351 OD1 ASP A 22 -6.252 -18.835 -3.693 1.00 0.00 O ATOM 352 OD2 ASP A 22 -8.039 -20.019 -3.393 1.00 0.00 O ATOM 0 H ASP A 22 -5.460 -21.142 0.244 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.407 -21.150 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.778 -21.246 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.658 -19.607 -0.965 1.00 0.00 H new ATOM 357 N ARG A 23 -4.596 -18.121 -1.119 1.00 0.00 N ATOM 358 CA ARG A 23 -4.244 -16.700 -1.263 1.00 0.00 C ATOM 359 C ARG A 23 -2.811 -16.393 -0.837 1.00 0.00 C ATOM 360 O ARG A 23 -2.258 -15.372 -1.249 1.00 0.00 O ATOM 361 CB ARG A 23 -5.240 -15.774 -0.513 1.00 0.00 C ATOM 362 CG ARG A 23 -6.669 -16.280 -0.338 1.00 0.00 C ATOM 363 CD ARG A 23 -7.281 -16.816 -1.627 1.00 0.00 C ATOM 364 NE ARG A 23 -8.238 -15.899 -2.232 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.933 -16.205 -3.319 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.683 -17.268 -4.034 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.913 -15.445 -3.722 1.00 0.00 N ATOM 0 H ARG A 23 -5.292 -18.284 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.316 -16.491 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.831 -15.569 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.281 -14.823 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.678 -17.068 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.290 -15.469 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.484 -17.023 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.777 -17.764 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.379 -14.985 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.929 -17.899 -3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.242 -17.467 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.153 -14.603 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.439 -15.693 -4.560 1.00 0.00 H new ATOM 381 N PHE A 24 -2.230 -17.265 -0.018 1.00 0.00 N ATOM 382 CA PHE A 24 -0.840 -17.240 0.422 1.00 0.00 C ATOM 383 C PHE A 24 0.095 -17.886 -0.624 1.00 0.00 C ATOM 384 O PHE A 24 0.988 -17.213 -1.150 1.00 0.00 O ATOM 385 CB PHE A 24 -0.783 -17.940 1.795 1.00 0.00 C ATOM 386 CG PHE A 24 0.604 -18.079 2.385 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.457 -19.068 1.883 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.051 -17.258 3.437 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.783 -19.132 2.304 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.384 -17.351 3.886 1.00 0.00 C ATOM 391 CZ PHE A 24 3.283 -18.225 3.248 1.00 0.00 C ATOM 0 H PHE A 24 -2.746 -18.051 0.378 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.482 -16.216 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.405 -17.384 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.222 -18.933 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.085 -19.785 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.373 -16.557 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.435 -19.891 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.715 -16.751 4.720 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.337 -18.198 3.481 1.00 0.00 H new ATOM 401 N TYR A 25 -0.096 -19.166 -0.986 1.00 0.00 N ATOM 402 CA TYR A 25 0.854 -19.873 -1.863 1.00 0.00 C ATOM 403 C TYR A 25 0.861 -19.320 -3.299 1.00 0.00 C ATOM 404 O TYR A 25 1.941 -19.314 -3.904 1.00 0.00 O ATOM 405 CB TYR A 25 0.653 -21.399 -1.855 1.00 0.00 C ATOM 406 CG TYR A 25 1.469 -22.189 -0.832 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.006 -22.337 0.485 1.00 0.00 C ATOM 408 CD2 TYR A 25 2.637 -22.877 -1.217 1.00 0.00 C ATOM 409 CE1 TYR A 25 1.618 -23.244 1.369 1.00 0.00 C ATOM 410 CE2 TYR A 25 3.261 -23.787 -0.333 1.00 0.00 C ATOM 411 CZ TYR A 25 2.733 -23.999 0.960 1.00 0.00 C ATOM 412 OH TYR A 25 3.263 -24.933 1.802 1.00 0.00 O ATOM 0 H TYR A 25 -0.893 -19.729 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 25 1.839 -19.678 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.403 -21.603 -1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.891 -21.780 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.168 -21.746 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.059 -22.708 -2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.229 -23.362 2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.145 -24.322 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 25 4.027 -25.367 1.369 1.00 0.00 H new ATOM 422 N LYS A 26 -0.275 -18.781 -3.798 1.00 0.00 N ATOM 423 CA LYS A 26 -0.401 -18.112 -5.116 1.00 0.00 C ATOM 424 C LYS A 26 0.694 -17.076 -5.383 1.00 0.00 C ATOM 425 O LYS A 26 1.065 -16.878 -6.543 1.00 0.00 O ATOM 426 CB LYS A 26 -1.842 -17.564 -5.363 1.00 0.00 C ATOM 427 CG LYS A 26 -2.039 -16.045 -5.571 1.00 0.00 C ATOM 428 CD LYS A 26 -2.057 -15.316 -4.225 1.00 0.00 C ATOM 429 CE LYS A 26 -2.131 -13.788 -4.321 1.00 0.00 C ATOM 430 NZ LYS A 26 -1.753 -13.157 -3.031 1.00 0.00 N ATOM 0 H LYS A 26 -1.154 -18.799 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.236 -18.888 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.241 -18.071 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.458 -17.863 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.236 -15.650 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.973 -15.863 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.910 -15.671 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.160 -15.588 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.467 -13.437 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.141 -13.485 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.924 -12.132 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.325 -13.565 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.745 -13.331 -2.842 1.00 0.00 H new ATOM 444 N THR A 27 1.222 -16.468 -4.317 1.00 0.00 N ATOM 445 CA THR A 27 2.280 -15.451 -4.325 1.00 0.00 C ATOM 446 C THR A 27 3.562 -15.958 -3.688 1.00 0.00 C ATOM 447 O THR A 27 4.607 -15.809 -4.309 1.00 0.00 O ATOM 448 CB THR A 27 1.842 -14.151 -3.618 1.00 0.00 C ATOM 449 OG1 THR A 27 0.833 -14.364 -2.642 1.00 0.00 O ATOM 450 CG2 THR A 27 1.310 -13.150 -4.639 1.00 0.00 C ATOM 0 H THR A 27 0.906 -16.684 -3.372 1.00 0.00 H new ATOM 0 HA THR A 27 2.471 -15.232 -5.375 1.00 0.00 H new ATOM 0 HB THR A 27 2.729 -13.766 -3.115 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.921 -13.697 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.004 -12.237 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.092 -12.917 -5.362 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.453 -13.580 -5.158 1.00 0.00 H new ATOM 458 N LEU A 28 3.496 -16.635 -2.530 1.00 0.00 N ATOM 459 CA LEU A 28 4.679 -17.103 -1.788 1.00 0.00 C ATOM 460 C LEU A 28 5.730 -17.798 -2.667 1.00 0.00 C ATOM 461 O LEU A 28 6.927 -17.523 -2.549 1.00 0.00 O ATOM 462 CB LEU A 28 4.254 -17.991 -0.608 1.00 0.00 C ATOM 463 CG LEU A 28 5.432 -18.429 0.278 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.286 -19.558 -0.309 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.251 -17.249 0.764 1.00 0.00 C ATOM 0 H LEU A 28 2.613 -16.875 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 28 5.174 -16.212 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.530 -17.451 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.748 -18.877 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 28 4.975 -18.879 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.092 -19.802 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.665 -20.440 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.709 -19.237 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.072 -17.607 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.654 -16.708 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.617 -16.582 1.348 1.00 0.00 H new ATOM 477 N ARG A 29 5.275 -18.667 -3.578 1.00 0.00 N ATOM 478 CA ARG A 29 6.119 -19.390 -4.564 1.00 0.00 C ATOM 479 C ARG A 29 7.080 -18.525 -5.408 1.00 0.00 C ATOM 480 O ARG A 29 7.988 -19.071 -6.021 1.00 0.00 O ATOM 481 CB ARG A 29 5.204 -20.233 -5.461 1.00 0.00 C ATOM 482 CG ARG A 29 4.241 -19.336 -6.246 1.00 0.00 C ATOM 483 CD ARG A 29 3.217 -20.161 -7.022 1.00 0.00 C ATOM 484 NE ARG A 29 2.229 -19.272 -7.652 1.00 0.00 N ATOM 485 CZ ARG A 29 1.521 -19.509 -8.734 1.00 0.00 C ATOM 486 NH1 ARG A 29 1.574 -20.653 -9.357 1.00 0.00 N ATOM 487 NH2 ARG A 29 0.756 -18.558 -9.191 1.00 0.00 N ATOM 0 H ARG A 29 4.285 -18.900 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 29 6.797 -20.012 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.806 -20.822 -6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.638 -20.938 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.725 -18.665 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.806 -18.711 -6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.720 -20.757 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.715 -20.858 -6.351 1.00 0.00 H new ATOM 0 HE ARG A 29 2.076 -18.371 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.178 -21.397 -9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.011 -20.804 -10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.718 -17.659 -8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.195 -18.713 -10.029 1.00 0.00 H new ATOM 501 N ALA A 30 6.894 -17.205 -5.417 1.00 0.00 N ATOM 502 CA ALA A 30 7.727 -16.206 -6.089 1.00 0.00 C ATOM 503 C ALA A 30 8.193 -15.063 -5.150 1.00 0.00 C ATOM 504 O ALA A 30 8.724 -14.062 -5.623 1.00 0.00 O ATOM 505 CB ALA A 30 6.936 -15.679 -7.294 1.00 0.00 C ATOM 0 H ALA A 30 6.109 -16.778 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 30 8.653 -16.676 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.529 -14.930 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.711 -16.504 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.005 -15.228 -6.949 1.00 0.00 H new ATOM 511 N GLU A 31 7.993 -15.202 -3.832 1.00 0.00 N ATOM 512 CA GLU A 31 8.311 -14.183 -2.806 1.00 0.00 C ATOM 513 C GLU A 31 9.180 -14.716 -1.655 1.00 0.00 C ATOM 514 O GLU A 31 9.829 -13.937 -0.972 1.00 0.00 O ATOM 515 CB GLU A 31 7.020 -13.549 -2.262 1.00 0.00 C ATOM 516 CG GLU A 31 6.224 -12.938 -3.416 1.00 0.00 C ATOM 517 CD GLU A 31 5.042 -12.081 -2.986 1.00 0.00 C ATOM 518 OE1 GLU A 31 4.368 -12.370 -1.970 1.00 0.00 O ATOM 519 OE2 GLU A 31 4.740 -11.122 -3.732 1.00 0.00 O ATOM 0 H GLU A 31 7.593 -16.051 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 31 8.909 -13.422 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.420 -14.302 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.261 -12.781 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.896 -12.330 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.859 -13.742 -4.055 1.00 0.00 H new ATOM 526 N GLN A 32 9.216 -16.039 -1.463 1.00 0.00 N ATOM 527 CA GLN A 32 10.192 -16.767 -0.622 1.00 0.00 C ATOM 528 C GLN A 32 10.590 -18.107 -1.280 1.00 0.00 C ATOM 529 O GLN A 32 11.627 -18.668 -0.948 1.00 0.00 O ATOM 530 CB GLN A 32 9.687 -17.060 0.803 1.00 0.00 C ATOM 531 CG GLN A 32 9.085 -15.891 1.602 1.00 0.00 C ATOM 532 CD GLN A 32 10.051 -14.794 2.023 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.263 -14.859 1.876 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.526 -13.742 2.613 1.00 0.00 N ATOM 0 H GLN A 32 8.541 -16.664 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 32 11.051 -16.101 -0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.933 -17.845 0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.520 -17.465 1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.294 -15.439 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.615 -16.295 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.516 -13.680 2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.129 -12.989 2.944 1.00 0.00 H new ATOM 543 N ALA A 33 9.753 -18.632 -2.191 1.00 0.00 N ATOM 544 CA ALA A 33 9.981 -19.747 -3.133 1.00 0.00 C ATOM 545 C ALA A 33 9.521 -21.145 -2.669 1.00 0.00 C ATOM 546 O ALA A 33 9.375 -22.031 -3.510 1.00 0.00 O ATOM 547 CB ALA A 33 11.419 -19.767 -3.683 1.00 0.00 C ATOM 0 H ALA A 33 8.812 -18.253 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 33 9.301 -19.515 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.534 -20.605 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.620 -18.835 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.123 -19.875 -2.858 1.00 0.00 H new ATOM 553 N SER A 34 9.250 -21.361 -1.377 1.00 0.00 N ATOM 554 CA SER A 34 8.824 -22.650 -0.788 1.00 0.00 C ATOM 555 C SER A 34 7.459 -23.209 -1.247 1.00 0.00 C ATOM 556 O SER A 34 6.552 -23.408 -0.442 1.00 0.00 O ATOM 557 CB SER A 34 8.890 -22.575 0.741 1.00 0.00 C ATOM 558 OG SER A 34 10.241 -22.434 1.121 1.00 0.00 O ATOM 0 H SER A 34 9.322 -20.619 -0.681 1.00 0.00 H new ATOM 0 HA SER A 34 9.540 -23.373 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.303 -21.732 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.463 -23.475 1.184 1.00 0.00 H new ATOM 0 HG SER A 34 10.452 -23.082 1.825 1.00 0.00 H new ATOM 564 N GLN A 35 7.285 -23.518 -2.533 1.00 0.00 N ATOM 565 CA GLN A 35 6.125 -24.254 -3.079 1.00 0.00 C ATOM 566 C GLN A 35 6.210 -25.784 -2.805 1.00 0.00 C ATOM 567 O GLN A 35 5.730 -26.600 -3.590 1.00 0.00 O ATOM 568 CB GLN A 35 6.036 -23.943 -4.586 1.00 0.00 C ATOM 569 CG GLN A 35 4.627 -24.154 -5.171 1.00 0.00 C ATOM 570 CD GLN A 35 4.652 -24.154 -6.695 1.00 0.00 C ATOM 571 OE1 GLN A 35 4.301 -23.179 -7.345 1.00 0.00 O ATOM 572 NE2 GLN A 35 5.080 -25.237 -7.311 1.00 0.00 N ATOM 0 H GLN A 35 7.962 -23.259 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 35 5.216 -23.925 -2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.341 -22.910 -4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.743 -24.576 -5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.220 -25.100 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.962 -23.366 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.373 -26.050 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.119 -25.263 -8.330 1.00 0.00 H new ATOM 581 N GLU A 36 6.828 -26.190 -1.695 1.00 0.00 N ATOM 582 CA GLU A 36 7.285 -27.561 -1.417 1.00 0.00 C ATOM 583 C GLU A 36 7.144 -27.936 0.076 1.00 0.00 C ATOM 584 O GLU A 36 6.771 -27.105 0.901 1.00 0.00 O ATOM 585 CB GLU A 36 8.775 -27.553 -1.826 1.00 0.00 C ATOM 586 CG GLU A 36 9.417 -28.929 -2.008 1.00 0.00 C ATOM 587 CD GLU A 36 10.903 -28.867 -1.697 1.00 0.00 C ATOM 588 OE1 GLU A 36 11.728 -28.429 -2.523 1.00 0.00 O ATOM 589 OE2 GLU A 36 11.243 -29.227 -0.547 1.00 0.00 O ATOM 0 H GLU A 36 7.035 -25.548 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 36 6.690 -28.296 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.874 -26.999 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.338 -27.006 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.932 -29.653 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.267 -29.274 -3.031 1.00 0.00 H new ATOM 596 N VAL A 37 7.482 -29.182 0.435 1.00 0.00 N ATOM 597 CA VAL A 37 7.741 -29.649 1.815 1.00 0.00 C ATOM 598 C VAL A 37 8.727 -28.712 2.530 1.00 0.00 C ATOM 599 O VAL A 37 8.647 -28.562 3.747 1.00 0.00 O ATOM 600 CB VAL A 37 8.248 -31.108 1.807 1.00 0.00 C ATOM 601 CG1 VAL A 37 8.905 -31.587 3.108 1.00 0.00 C ATOM 602 CG2 VAL A 37 7.084 -32.055 1.497 1.00 0.00 C ATOM 0 H VAL A 37 7.588 -29.928 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 37 6.804 -29.626 2.372 1.00 0.00 H new ATOM 0 HB VAL A 37 9.024 -31.125 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.224 -32.623 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.771 -30.963 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.188 -31.516 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.444 -33.084 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.312 -31.944 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.667 -31.811 0.520 1.00 0.00 H new ATOM 612 N LYS A 38 9.599 -28.002 1.789 1.00 0.00 N ATOM 613 CA LYS A 38 10.379 -26.843 2.309 1.00 0.00 C ATOM 614 C LYS A 38 9.522 -25.655 2.843 1.00 0.00 C ATOM 615 O LYS A 38 10.031 -24.550 2.997 1.00 0.00 O ATOM 616 CB LYS A 38 11.410 -26.394 1.257 1.00 0.00 C ATOM 617 CG LYS A 38 12.714 -27.204 1.310 1.00 0.00 C ATOM 618 CD LYS A 38 13.638 -26.800 0.145 1.00 0.00 C ATOM 619 CE LYS A 38 14.604 -27.918 -0.262 1.00 0.00 C ATOM 620 NZ LYS A 38 13.893 -28.968 -1.030 1.00 0.00 N ATOM 0 H LYS A 38 9.789 -28.210 0.809 1.00 0.00 H new ATOM 0 HA LYS A 38 10.899 -27.199 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.971 -26.487 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.638 -25.339 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.219 -27.033 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.491 -28.270 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.030 -26.521 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.210 -25.917 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.414 -27.505 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.058 -28.355 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.573 -29.691 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.169 -29.409 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.437 -28.541 -1.862 1.00 0.00 H new ATOM 634 N ASN A 39 8.227 -25.864 3.096 1.00 0.00 N ATOM 635 CA ASN A 39 7.281 -25.019 3.838 1.00 0.00 C ATOM 636 C ASN A 39 7.869 -24.500 5.161 1.00 0.00 C ATOM 637 O ASN A 39 7.583 -23.376 5.563 1.00 0.00 O ATOM 638 CB ASN A 39 6.071 -25.932 4.109 1.00 0.00 C ATOM 639 CG ASN A 39 5.112 -25.465 5.192 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.348 -25.633 6.375 1.00 0.00 O ATOM 641 ND2 ASN A 39 3.969 -24.935 4.827 1.00 0.00 N ATOM 0 H ASN A 39 7.769 -26.709 2.755 1.00 0.00 H new ATOM 0 HA ASN A 39 7.023 -24.127 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.511 -26.045 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.441 -26.921 4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.283 -24.666 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.766 -24.792 3.838 1.00 0.00 H new ATOM 648 N ALA A 40 8.708 -25.327 5.789 1.00 0.00 N ATOM 649 CA ALA A 40 9.545 -24.996 6.928 1.00 0.00 C ATOM 650 C ALA A 40 10.289 -23.652 6.803 1.00 0.00 C ATOM 651 O ALA A 40 10.581 -23.167 5.705 1.00 0.00 O ATOM 652 CB ALA A 40 10.538 -26.155 7.092 1.00 0.00 C ATOM 0 H ALA A 40 8.822 -26.297 5.495 1.00 0.00 H new ATOM 0 HA ALA A 40 8.907 -24.868 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.194 -25.955 7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.991 -27.081 7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.136 -26.253 6.186 1.00 0.00 H new ATOM 658 N MET A 41 10.671 -23.081 7.948 1.00 0.00 N ATOM 659 CA MET A 41 11.537 -21.893 8.065 1.00 0.00 C ATOM 660 C MET A 41 11.013 -20.621 7.356 1.00 0.00 C ATOM 661 O MET A 41 11.755 -19.646 7.230 1.00 0.00 O ATOM 662 CB MET A 41 12.967 -22.234 7.591 1.00 0.00 C ATOM 663 CG MET A 41 13.589 -23.470 8.258 1.00 0.00 C ATOM 664 SD MET A 41 15.058 -24.107 7.401 1.00 0.00 S ATOM 665 CE MET A 41 14.258 -24.885 5.969 1.00 0.00 C ATOM 0 H MET A 41 10.378 -23.443 8.856 1.00 0.00 H new ATOM 0 HA MET A 41 11.537 -21.637 9.124 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.949 -22.391 6.512 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.611 -21.375 7.778 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.859 -23.220 9.284 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.839 -24.259 8.309 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.763 -25.822 5.735 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.212 -25.085 6.201 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.318 -24.216 5.111 1.00 0.00 H new ATOM 675 N THR A 42 9.747 -20.591 6.918 1.00 0.00 N ATOM 676 CA THR A 42 9.090 -19.439 6.270 1.00 0.00 C ATOM 677 C THR A 42 7.777 -19.085 6.967 1.00 0.00 C ATOM 678 O THR A 42 7.274 -19.801 7.824 1.00 0.00 O ATOM 679 CB THR A 42 8.852 -19.643 4.750 1.00 0.00 C ATOM 680 OG1 THR A 42 8.471 -20.953 4.405 1.00 0.00 O ATOM 681 CG2 THR A 42 10.107 -19.329 3.939 1.00 0.00 C ATOM 0 H THR A 42 9.127 -21.396 7.007 1.00 0.00 H new ATOM 0 HA THR A 42 9.785 -18.606 6.373 1.00 0.00 H new ATOM 0 HB THR A 42 8.038 -18.957 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.127 -21.413 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.903 -19.483 2.879 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.398 -18.292 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.917 -19.988 4.252 1.00 0.00 H new ATOM 689 N GLU A 43 7.197 -17.944 6.594 1.00 0.00 N ATOM 690 CA GLU A 43 5.894 -17.470 7.075 1.00 0.00 C ATOM 691 C GLU A 43 4.700 -18.381 6.757 1.00 0.00 C ATOM 692 O GLU A 43 3.627 -18.151 7.300 1.00 0.00 O ATOM 693 CB GLU A 43 5.667 -16.058 6.527 1.00 0.00 C ATOM 694 CG GLU A 43 5.836 -15.905 5.003 1.00 0.00 C ATOM 695 CD GLU A 43 6.089 -14.436 4.638 1.00 0.00 C ATOM 696 OE1 GLU A 43 5.431 -13.564 5.264 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.960 -14.179 3.783 1.00 0.00 O ATOM 0 H GLU A 43 7.631 -17.304 5.930 1.00 0.00 H new ATOM 0 HA GLU A 43 5.941 -17.477 8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.660 -15.739 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.361 -15.379 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.668 -16.520 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.942 -16.264 4.494 1.00 0.00 H new ATOM 704 N THR A 44 4.913 -19.376 5.895 1.00 0.00 N ATOM 705 CA THR A 44 4.089 -20.500 5.389 1.00 0.00 C ATOM 706 C THR A 44 3.267 -21.293 6.417 1.00 0.00 C ATOM 707 O THR A 44 3.334 -22.514 6.517 1.00 0.00 O ATOM 708 CB THR A 44 4.999 -21.399 4.528 1.00 0.00 C ATOM 709 OG1 THR A 44 5.872 -20.596 3.758 1.00 0.00 O ATOM 710 CG2 THR A 44 4.281 -22.234 3.478 1.00 0.00 C ATOM 0 H THR A 44 5.831 -19.426 5.453 1.00 0.00 H new ATOM 0 HA THR A 44 3.289 -20.054 4.798 1.00 0.00 H new ATOM 0 HB THR A 44 5.480 -22.050 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.799 -20.864 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.009 -22.830 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.565 -22.895 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.754 -21.576 2.787 1.00 0.00 H new ATOM 718 N LEU A 45 2.413 -20.605 7.166 1.00 0.00 N ATOM 719 CA LEU A 45 1.610 -21.103 8.273 1.00 0.00 C ATOM 720 C LEU A 45 0.483 -22.121 7.929 1.00 0.00 C ATOM 721 O LEU A 45 -0.374 -22.371 8.768 1.00 0.00 O ATOM 722 CB LEU A 45 1.118 -19.867 9.048 1.00 0.00 C ATOM 723 CG LEU A 45 0.109 -18.991 8.285 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.668 -18.144 9.283 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.645 -18.014 7.234 1.00 0.00 C ATOM 0 H LEU A 45 2.253 -19.611 7.002 1.00 0.00 H new ATOM 0 HA LEU A 45 2.245 -21.738 8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.660 -20.198 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.980 -19.256 9.316 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.476 -19.729 7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.385 -17.520 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.199 -18.795 9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.023 -17.509 9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.186 -17.470 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.327 -17.308 7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.176 -18.568 6.460 1.00 0.00 H new ATOM 737 N LEU A 46 0.454 -22.686 6.716 1.00 0.00 N ATOM 738 CA LEU A 46 -0.556 -23.621 6.181 1.00 0.00 C ATOM 739 C LEU A 46 -0.020 -24.447 4.979 1.00 0.00 C ATOM 740 O LEU A 46 1.115 -24.245 4.572 1.00 0.00 O ATOM 741 CB LEU A 46 -1.918 -22.921 5.913 1.00 0.00 C ATOM 742 CG LEU A 46 -2.048 -21.425 5.511 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.694 -20.626 6.642 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.822 -20.700 4.931 1.00 0.00 C ATOM 0 H LEU A 46 1.184 -22.492 6.031 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.760 -24.357 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.408 -23.494 5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.512 -23.049 6.818 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.694 -21.470 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.779 -19.580 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.687 -21.026 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.078 -20.701 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.084 -19.666 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.011 -20.718 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.501 -21.201 4.018 1.00 0.00 H new ATOM 756 N VAL A 47 -0.812 -25.370 4.393 1.00 0.00 N ATOM 757 CA VAL A 47 -0.428 -26.292 3.293 1.00 0.00 C ATOM 758 C VAL A 47 -1.400 -26.244 2.115 1.00 0.00 C ATOM 759 O VAL A 47 -2.606 -26.358 2.312 1.00 0.00 O ATOM 760 CB VAL A 47 -0.465 -27.784 3.702 1.00 0.00 C ATOM 761 CG1 VAL A 47 0.544 -28.560 2.856 1.00 0.00 C ATOM 762 CG2 VAL A 47 -0.285 -28.053 5.183 1.00 0.00 C ATOM 0 H VAL A 47 -1.781 -25.502 4.684 1.00 0.00 H new ATOM 0 HA VAL A 47 0.575 -25.951 3.038 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.477 -28.136 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.523 -29.612 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.286 -28.463 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.544 -28.159 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.327 -29.127 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.681 -27.667 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.080 -27.559 5.742 1.00 0.00 H new ATOM 772 N GLN A 48 -0.880 -26.169 0.890 1.00 0.00 N ATOM 773 CA GLN A 48 -1.659 -26.351 -0.348 1.00 0.00 C ATOM 774 C GLN A 48 -2.542 -27.615 -0.296 1.00 0.00 C ATOM 775 O GLN A 48 -3.744 -27.562 -0.521 1.00 0.00 O ATOM 776 CB GLN A 48 -0.713 -26.463 -1.552 1.00 0.00 C ATOM 777 CG GLN A 48 -0.011 -25.145 -1.879 1.00 0.00 C ATOM 778 CD GLN A 48 1.049 -25.306 -2.974 1.00 0.00 C ATOM 779 OE1 GLN A 48 0.985 -24.701 -4.029 1.00 0.00 O ATOM 780 NE2 GLN A 48 2.075 -26.113 -2.781 1.00 0.00 N ATOM 0 H GLN A 48 0.107 -25.978 0.721 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.307 -25.480 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.037 -27.228 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.279 -26.794 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.751 -24.411 -2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.458 -24.753 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.157 -26.634 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.786 -26.216 -3.505 1.00 0.00 H new ATOM 789 N ASN A 49 -1.938 -28.756 0.053 1.00 0.00 N ATOM 790 CA ASN A 49 -2.563 -30.086 0.035 1.00 0.00 C ATOM 791 C ASN A 49 -3.375 -30.421 1.314 1.00 0.00 C ATOM 792 O ASN A 49 -3.576 -31.591 1.630 1.00 0.00 O ATOM 793 CB ASN A 49 -1.440 -31.112 -0.222 1.00 0.00 C ATOM 794 CG ASN A 49 -1.961 -32.447 -0.715 1.00 0.00 C ATOM 795 OD1 ASN A 49 -2.333 -32.620 -1.863 1.00 0.00 O ATOM 796 ND2 ASN A 49 -1.988 -33.434 0.139 1.00 0.00 N ATOM 0 H ASN A 49 -0.968 -28.781 0.367 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.309 -30.114 -0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.745 -30.706 -0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.877 -31.265 0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.321 -34.353 -0.154 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.676 -33.287 1.099 1.00 0.00 H new ATOM 803 N ALA A 50 -3.774 -29.426 2.115 1.00 0.00 N ATOM 804 CA ALA A 50 -4.429 -29.662 3.406 1.00 0.00 C ATOM 805 C ALA A 50 -5.696 -30.543 3.267 1.00 0.00 C ATOM 806 O ALA A 50 -6.605 -30.255 2.484 1.00 0.00 O ATOM 807 CB ALA A 50 -4.717 -28.309 4.074 1.00 0.00 C ATOM 0 H ALA A 50 -3.652 -28.439 1.888 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.757 -30.231 4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.204 -28.474 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.781 -27.773 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.371 -27.718 3.432 1.00 0.00 H new ATOM 813 N ASN A 51 -5.825 -31.576 4.095 1.00 0.00 N ATOM 814 CA ASN A 51 -6.893 -32.587 4.039 1.00 0.00 C ATOM 815 C ASN A 51 -7.883 -32.370 5.216 1.00 0.00 C ATOM 816 O ASN A 51 -7.655 -31.432 5.988 1.00 0.00 O ATOM 817 CB ASN A 51 -6.236 -33.981 3.947 1.00 0.00 C ATOM 818 CG ASN A 51 -5.892 -34.582 5.285 1.00 0.00 C ATOM 819 OD1 ASN A 51 -5.595 -33.891 6.242 1.00 0.00 O ATOM 820 ND2 ASN A 51 -6.009 -35.869 5.400 1.00 0.00 N ATOM 0 H ASN A 51 -5.166 -31.744 4.855 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.515 -32.495 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.910 -34.656 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.328 -33.905 3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.851 -36.317 6.303 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.259 -36.433 4.588 1.00 0.00 H new ATOM 827 N PRO A 52 -9.014 -33.096 5.359 1.00 0.00 N ATOM 828 CA PRO A 52 -9.998 -32.765 6.399 1.00 0.00 C ATOM 829 C PRO A 52 -9.418 -32.917 7.812 1.00 0.00 C ATOM 830 O PRO A 52 -9.718 -32.104 8.691 1.00 0.00 O ATOM 831 CB PRO A 52 -11.198 -33.683 6.155 1.00 0.00 C ATOM 832 CG PRO A 52 -10.604 -34.882 5.422 1.00 0.00 C ATOM 833 CD PRO A 52 -9.422 -34.301 4.644 1.00 0.00 C ATOM 0 HA PRO A 52 -10.296 -31.718 6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.669 -33.981 7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.963 -33.189 5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.280 -35.654 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.333 -35.341 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.602 -35.017 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.709 -34.067 3.619 1.00 0.00 H new ATOM 841 N ASP A 53 -8.525 -33.887 7.994 1.00 0.00 N ATOM 842 CA ASP A 53 -7.868 -34.181 9.267 1.00 0.00 C ATOM 843 C ASP A 53 -6.934 -33.034 9.650 1.00 0.00 C ATOM 844 O ASP A 53 -7.131 -32.397 10.676 1.00 0.00 O ATOM 845 CB ASP A 53 -7.099 -35.507 9.156 1.00 0.00 C ATOM 846 CG ASP A 53 -7.940 -36.558 8.443 1.00 0.00 C ATOM 847 OD1 ASP A 53 -7.963 -36.480 7.192 1.00 0.00 O ATOM 848 OD2 ASP A 53 -8.585 -37.363 9.139 1.00 0.00 O ATOM 0 H ASP A 53 -8.230 -34.507 7.240 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.618 -34.282 10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.168 -35.349 8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.831 -35.862 10.151 1.00 0.00 H new ATOM 853 N CYS A 54 -5.989 -32.697 8.767 1.00 0.00 N ATOM 854 CA CYS A 54 -5.046 -31.580 8.874 1.00 0.00 C ATOM 855 C CYS A 54 -5.739 -30.270 9.235 1.00 0.00 C ATOM 856 O CYS A 54 -5.334 -29.598 10.177 1.00 0.00 O ATOM 857 CB CYS A 54 -4.315 -31.495 7.529 1.00 0.00 C ATOM 858 SG CYS A 54 -3.382 -29.972 7.224 1.00 0.00 S ATOM 0 H CYS A 54 -5.854 -33.229 7.907 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.340 -31.753 9.686 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.628 -32.338 7.458 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.049 -31.613 6.732 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.816 -30.037 6.056 1.00 0.00 H new ATOM 864 N LYS A 55 -6.836 -29.930 8.554 1.00 0.00 N ATOM 865 CA LYS A 55 -7.637 -28.768 8.949 1.00 0.00 C ATOM 866 C LYS A 55 -8.093 -28.880 10.400 1.00 0.00 C ATOM 867 O LYS A 55 -7.793 -27.991 11.181 1.00 0.00 O ATOM 868 CB LYS A 55 -8.859 -28.626 8.050 1.00 0.00 C ATOM 869 CG LYS A 55 -8.609 -27.705 6.839 1.00 0.00 C ATOM 870 CD LYS A 55 -8.109 -28.379 5.552 1.00 0.00 C ATOM 871 CE LYS A 55 -9.276 -29.143 4.912 1.00 0.00 C ATOM 872 NZ LYS A 55 -9.030 -29.465 3.485 1.00 0.00 N ATOM 0 H LYS A 55 -7.186 -30.433 7.739 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.005 -27.886 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.159 -29.612 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.690 -28.232 8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.538 -27.183 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.881 -26.948 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.722 -27.631 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.289 -29.061 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.448 -30.066 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.185 -28.547 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.452 -30.388 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.459 -28.732 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.006 -29.501 3.309 1.00 0.00 H new ATOM 886 N THR A 56 -8.775 -29.971 10.744 1.00 0.00 N ATOM 887 CA THR A 56 -9.340 -30.254 12.076 1.00 0.00 C ATOM 888 C THR A 56 -8.276 -30.391 13.175 1.00 0.00 C ATOM 889 O THR A 56 -8.578 -30.198 14.352 1.00 0.00 O ATOM 890 CB THR A 56 -10.223 -31.514 12.001 1.00 0.00 C ATOM 891 OG1 THR A 56 -11.121 -31.367 10.922 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.084 -31.748 13.240 1.00 0.00 C ATOM 0 H THR A 56 -8.961 -30.720 10.077 1.00 0.00 H new ATOM 0 HA THR A 56 -9.945 -29.393 12.361 1.00 0.00 H new ATOM 0 HB THR A 56 -9.537 -32.355 11.896 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.724 -31.750 10.112 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.675 -32.654 13.107 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.442 -31.859 14.114 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.751 -30.898 13.385 1.00 0.00 H new ATOM 900 N ILE A 57 -7.024 -30.649 12.789 1.00 0.00 N ATOM 901 CA ILE A 57 -5.884 -30.868 13.701 1.00 0.00 C ATOM 902 C ILE A 57 -5.114 -29.570 13.928 1.00 0.00 C ATOM 903 O ILE A 57 -5.118 -29.035 15.040 1.00 0.00 O ATOM 904 CB ILE A 57 -4.990 -31.995 13.123 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.695 -33.352 13.345 1.00 0.00 C ATOM 906 CG2 ILE A 57 -3.557 -32.051 13.689 1.00 0.00 C ATOM 907 CD1 ILE A 57 -5.155 -34.449 12.425 1.00 0.00 C ATOM 0 H ILE A 57 -6.761 -30.715 11.806 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.243 -31.184 14.680 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.866 -31.770 12.064 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.569 -33.658 14.383 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.765 -33.234 13.175 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.013 -32.872 13.222 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.046 -31.111 13.479 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.597 -32.209 14.767 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.684 -35.382 12.622 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.306 -34.159 11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.090 -34.589 12.612 1.00 0.00 H new ATOM 919 N LEU A 58 -4.496 -29.003 12.883 1.00 0.00 N ATOM 920 CA LEU A 58 -3.743 -27.753 13.011 1.00 0.00 C ATOM 921 C LEU A 58 -4.644 -26.571 13.372 1.00 0.00 C ATOM 922 O LEU A 58 -4.145 -25.566 13.868 1.00 0.00 O ATOM 923 CB LEU A 58 -2.854 -27.481 11.799 1.00 0.00 C ATOM 924 CG LEU A 58 -1.854 -28.631 11.567 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.414 -29.671 10.612 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.546 -28.094 11.002 1.00 0.00 C ATOM 0 H LEU A 58 -4.504 -29.392 11.940 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.063 -27.880 13.853 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.474 -27.352 10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.310 -26.548 11.947 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.674 -29.102 12.533 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.683 -30.467 10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.331 -30.090 11.027 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.631 -29.204 9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.148 -28.919 10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.738 -27.595 10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.111 -27.383 11.704 1.00 0.00 H new ATOM 938 N LYS A 59 -5.966 -26.765 13.244 1.00 0.00 N ATOM 939 CA LYS A 59 -7.041 -25.951 13.852 1.00 0.00 C ATOM 940 C LYS A 59 -6.729 -25.490 15.278 1.00 0.00 C ATOM 941 O LYS A 59 -7.258 -24.467 15.710 1.00 0.00 O ATOM 942 CB LYS A 59 -8.326 -26.794 13.934 1.00 0.00 C ATOM 943 CG LYS A 59 -9.481 -26.260 13.082 1.00 0.00 C ATOM 944 CD LYS A 59 -10.794 -26.015 13.852 1.00 0.00 C ATOM 945 CE LYS A 59 -10.704 -25.200 15.153 1.00 0.00 C ATOM 946 NZ LYS A 59 -9.935 -23.951 14.984 1.00 0.00 N ATOM 0 H LYS A 59 -6.338 -27.533 12.685 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.147 -25.071 13.218 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.099 -27.813 13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.649 -26.844 14.974 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.169 -25.325 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.676 -26.967 12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.488 -25.507 13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.232 -26.984 14.090 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.710 -24.960 15.498 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.238 -25.808 15.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.237 -23.258 15.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.921 -24.149 15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.105 -23.565 14.033 1.00 0.00 H new ATOM 960 N ALA A 60 -5.945 -26.292 15.995 1.00 0.00 N ATOM 961 CA ALA A 60 -5.435 -26.062 17.341 1.00 0.00 C ATOM 962 C ALA A 60 -3.918 -26.339 17.470 1.00 0.00 C ATOM 963 O ALA A 60 -3.306 -25.928 18.455 1.00 0.00 O ATOM 964 CB ALA A 60 -6.233 -26.978 18.277 1.00 0.00 C ATOM 0 H ALA A 60 -5.627 -27.186 15.620 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.559 -25.010 17.600 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.887 -26.842 19.302 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.292 -26.727 18.216 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.088 -28.017 17.980 1.00 0.00 H new ATOM 970 N LEU A 61 -3.291 -26.996 16.484 1.00 0.00 N ATOM 971 CA LEU A 61 -1.927 -27.540 16.570 1.00 0.00 C ATOM 972 C LEU A 61 -0.866 -26.699 15.840 1.00 0.00 C ATOM 973 O LEU A 61 -0.115 -27.181 14.992 1.00 0.00 O ATOM 974 CB LEU A 61 -1.920 -29.033 16.182 1.00 0.00 C ATOM 975 CG LEU A 61 -0.917 -29.830 17.040 1.00 0.00 C ATOM 976 CD1 LEU A 61 -1.401 -30.060 18.476 1.00 0.00 C ATOM 977 CD2 LEU A 61 -0.668 -31.203 16.431 1.00 0.00 C ATOM 0 H LEU A 61 -3.730 -27.169 15.580 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.617 -27.472 17.613 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.920 -29.448 16.308 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.662 -29.136 15.128 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.010 -29.226 17.062 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.650 -30.626 19.027 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.561 -29.099 18.964 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.337 -30.619 18.459 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.042 -31.752 17.049 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.607 -31.754 16.380 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.261 -31.087 15.427 1.00 0.00 H new ATOM 989 N GLY A 62 -0.760 -25.432 16.242 1.00 0.00 N ATOM 990 CA GLY A 62 0.321 -24.518 15.843 1.00 0.00 C ATOM 991 C GLY A 62 1.270 -24.130 16.987 1.00 0.00 C ATOM 992 O GLY A 62 1.451 -22.933 17.199 1.00 0.00 O ATOM 0 H GLY A 62 -1.438 -24.999 16.869 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.901 -24.985 15.047 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.119 -23.612 15.428 1.00 0.00 H new ATOM 996 N PRO A 63 1.902 -25.073 17.722 1.00 0.00 N ATOM 997 CA PRO A 63 2.845 -24.788 18.811 1.00 0.00 C ATOM 998 C PRO A 63 4.225 -24.337 18.279 1.00 0.00 C ATOM 999 O PRO A 63 5.259 -24.848 18.697 1.00 0.00 O ATOM 1000 CB PRO A 63 2.909 -26.100 19.604 1.00 0.00 C ATOM 1001 CG PRO A 63 2.862 -27.134 18.486 1.00 0.00 C ATOM 1002 CD PRO A 63 1.859 -26.517 17.513 1.00 0.00 C ATOM 0 HA PRO A 63 2.524 -23.955 19.436 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.821 -26.177 20.196 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.071 -26.204 20.294 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.839 -27.279 18.025 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.532 -28.108 18.847 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.116 -26.766 16.483 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.856 -26.904 17.694 1.00 0.00 H new ATOM 1010 N ALA A 64 4.238 -23.452 17.276 1.00 0.00 N ATOM 1011 CA ALA A 64 5.406 -22.804 16.658 1.00 0.00 C ATOM 1012 C ALA A 64 6.523 -23.698 16.055 1.00 0.00 C ATOM 1013 O ALA A 64 7.440 -23.152 15.450 1.00 0.00 O ATOM 1014 CB ALA A 64 5.946 -21.746 17.635 1.00 0.00 C ATOM 0 H ALA A 64 3.368 -23.145 16.841 1.00 0.00 H new ATOM 0 HA ALA A 64 5.025 -22.353 15.742 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.813 -21.254 17.195 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.171 -21.006 17.835 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.237 -22.228 18.568 1.00 0.00 H new ATOM 1020 N ALA A 65 6.447 -25.034 16.145 1.00 0.00 N ATOM 1021 CA ALA A 65 7.449 -25.940 15.553 1.00 0.00 C ATOM 1022 C ALA A 65 6.842 -27.224 14.973 1.00 0.00 C ATOM 1023 O ALA A 65 7.059 -27.525 13.806 1.00 0.00 O ATOM 1024 CB ALA A 65 8.510 -26.253 16.617 1.00 0.00 C ATOM 0 H ALA A 65 5.691 -25.519 16.629 1.00 0.00 H new ATOM 0 HA ALA A 65 7.905 -25.433 14.702 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.260 -26.923 16.197 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.988 -25.327 16.937 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.036 -26.732 17.474 1.00 0.00 H new ATOM 1030 N THR A 66 5.985 -27.935 15.714 1.00 0.00 N ATOM 1031 CA THR A 66 5.315 -29.162 15.224 1.00 0.00 C ATOM 1032 C THR A 66 4.508 -28.967 13.932 1.00 0.00 C ATOM 1033 O THR A 66 4.190 -29.916 13.229 1.00 0.00 O ATOM 1034 CB THR A 66 4.377 -29.733 16.298 1.00 0.00 C ATOM 1035 OG1 THR A 66 4.945 -29.599 17.579 1.00 0.00 O ATOM 1036 CG2 THR A 66 4.107 -31.217 16.107 1.00 0.00 C ATOM 0 H THR A 66 5.731 -27.683 16.669 1.00 0.00 H new ATOM 0 HA THR A 66 6.126 -29.854 15.000 1.00 0.00 H new ATOM 0 HB THR A 66 3.449 -29.168 16.204 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.332 -29.967 18.249 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.439 -31.569 16.893 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.642 -31.380 15.135 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.047 -31.767 16.156 1.00 0.00 H new ATOM 1044 N LEU A 67 4.163 -27.735 13.572 1.00 0.00 N ATOM 1045 CA LEU A 67 3.463 -27.445 12.322 1.00 0.00 C ATOM 1046 C LEU A 67 4.197 -28.006 11.093 1.00 0.00 C ATOM 1047 O LEU A 67 3.593 -28.669 10.253 1.00 0.00 O ATOM 1048 CB LEU A 67 3.321 -25.929 12.249 1.00 0.00 C ATOM 1049 CG LEU A 67 2.287 -25.355 11.263 1.00 0.00 C ATOM 1050 CD1 LEU A 67 2.730 -23.962 10.828 1.00 0.00 C ATOM 1051 CD2 LEU A 67 2.090 -26.197 10.011 1.00 0.00 C ATOM 0 H LEU A 67 4.360 -26.909 14.137 1.00 0.00 H new ATOM 0 HA LEU A 67 2.488 -27.932 12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.071 -25.567 13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.295 -25.513 11.994 1.00 0.00 H new ATOM 0 HG LEU A 67 1.337 -25.340 11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.002 -23.550 10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.802 -23.314 11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.704 -24.025 10.342 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.347 -25.725 9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.035 -26.277 9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.747 -27.193 10.292 1.00 0.00 H new ATOM 1063 N GLU A 68 5.498 -27.772 11.004 1.00 0.00 N ATOM 1064 CA GLU A 68 6.303 -28.212 9.860 1.00 0.00 C ATOM 1065 C GLU A 68 6.175 -29.721 9.586 1.00 0.00 C ATOM 1066 O GLU A 68 6.173 -30.124 8.425 1.00 0.00 O ATOM 1067 CB GLU A 68 7.785 -27.834 10.062 1.00 0.00 C ATOM 1068 CG GLU A 68 7.971 -26.368 10.458 1.00 0.00 C ATOM 1069 CD GLU A 68 9.420 -25.844 10.310 1.00 0.00 C ATOM 1070 OE1 GLU A 68 10.374 -26.653 10.393 1.00 0.00 O ATOM 1071 OE2 GLU A 68 9.569 -24.616 10.097 1.00 0.00 O ATOM 0 H GLU A 68 6.030 -27.274 11.718 1.00 0.00 H new ATOM 0 HA GLU A 68 5.911 -27.693 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.217 -28.472 10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.335 -28.030 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.311 -25.753 9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.656 -26.241 11.494 1.00 0.00 H new ATOM 1078 N GLU A 69 5.973 -30.551 10.624 1.00 0.00 N ATOM 1079 CA GLU A 69 5.614 -31.965 10.389 1.00 0.00 C ATOM 1080 C GLU A 69 4.144 -32.150 9.992 1.00 0.00 C ATOM 1081 O GLU A 69 3.835 -32.936 9.089 1.00 0.00 O ATOM 1082 CB GLU A 69 5.967 -32.891 11.564 1.00 0.00 C ATOM 1083 CG GLU A 69 5.078 -32.811 12.819 1.00 0.00 C ATOM 1084 CD GLU A 69 5.188 -34.025 13.760 1.00 0.00 C ATOM 1085 OE1 GLU A 69 5.960 -34.966 13.463 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.490 -33.991 14.797 1.00 0.00 O ATOM 0 H GLU A 69 6.048 -30.282 11.605 1.00 0.00 H new ATOM 0 HA GLU A 69 6.233 -32.263 9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.947 -33.919 11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.993 -32.679 11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.338 -31.911 13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.039 -32.703 12.506 1.00 0.00 H new ATOM 1093 N MET A 70 3.241 -31.395 10.629 1.00 0.00 N ATOM 1094 CA MET A 70 1.783 -31.508 10.475 1.00 0.00 C ATOM 1095 C MET A 70 1.289 -31.125 9.083 1.00 0.00 C ATOM 1096 O MET A 70 0.288 -31.654 8.591 1.00 0.00 O ATOM 1097 CB MET A 70 1.126 -30.684 11.562 1.00 0.00 C ATOM 1098 CG MET A 70 1.322 -31.260 12.938 1.00 0.00 C ATOM 1099 SD MET A 70 0.252 -32.690 13.266 1.00 0.00 S ATOM 1100 CE MET A 70 1.367 -33.682 14.293 1.00 0.00 C ATOM 0 H MET A 70 3.512 -30.665 11.287 1.00 0.00 H new ATOM 0 HA MET A 70 1.502 -32.556 10.583 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.530 -29.672 11.537 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.059 -30.606 11.356 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.364 -31.558 13.056 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.125 -30.487 13.681 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.815 -34.513 14.731 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.179 -34.070 13.678 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.779 -33.060 15.088 1.00 0.00 H new ATOM 1110 N MET A 71 2.062 -30.257 8.439 1.00 0.00 N ATOM 1111 CA MET A 71 1.955 -29.925 7.029 1.00 0.00 C ATOM 1112 C MET A 71 1.998 -31.216 6.205 1.00 0.00 C ATOM 1113 O MET A 71 1.063 -31.550 5.482 1.00 0.00 O ATOM 1114 CB MET A 71 3.085 -28.944 6.628 1.00 0.00 C ATOM 1115 CG MET A 71 3.129 -28.690 5.107 1.00 0.00 C ATOM 1116 SD MET A 71 4.685 -28.888 4.195 1.00 0.00 S ATOM 1117 CE MET A 71 5.351 -30.473 4.746 1.00 0.00 C ATOM 0 H MET A 71 2.810 -29.746 8.908 1.00 0.00 H new ATOM 0 HA MET A 71 1.007 -29.425 6.830 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.942 -27.997 7.148 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.044 -29.345 6.955 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.398 -29.354 4.647 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.783 -27.670 4.939 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.383 -30.571 4.410 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.318 -30.523 5.834 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.755 -31.284 4.327 1.00 0.00 H new ATOM 1127 N THR A 72 3.086 -31.964 6.349 1.00 0.00 N ATOM 1128 CA THR A 72 3.296 -33.270 5.712 1.00 0.00 C ATOM 1129 C THR A 72 2.259 -34.305 6.112 1.00 0.00 C ATOM 1130 O THR A 72 1.776 -35.022 5.243 1.00 0.00 O ATOM 1131 CB THR A 72 4.650 -33.896 6.088 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.510 -33.005 6.746 1.00 0.00 O ATOM 1133 CG2 THR A 72 5.396 -34.382 4.850 1.00 0.00 C ATOM 0 H THR A 72 3.874 -31.674 6.929 1.00 0.00 H new ATOM 0 HA THR A 72 3.235 -33.045 4.647 1.00 0.00 H new ATOM 0 HB THR A 72 4.397 -34.719 6.756 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.201 -32.872 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.349 -34.819 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.797 -35.133 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.576 -33.541 4.180 1.00 0.00 H new ATOM 1141 N ALA A 73 1.914 -34.397 7.401 1.00 0.00 N ATOM 1142 CA ALA A 73 1.113 -35.497 7.958 1.00 0.00 C ATOM 1143 C ALA A 73 -0.210 -35.736 7.200 1.00 0.00 C ATOM 1144 O ALA A 73 -0.631 -36.878 6.999 1.00 0.00 O ATOM 1145 CB ALA A 73 0.885 -35.230 9.453 1.00 0.00 C ATOM 0 H ALA A 73 2.186 -33.702 8.097 1.00 0.00 H new ATOM 0 HA ALA A 73 1.671 -36.425 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.292 -36.038 9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.846 -35.176 9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.355 -34.286 9.577 1.00 0.00 H new ATOM 1151 N CYS A 74 -0.794 -34.656 6.674 1.00 0.00 N ATOM 1152 CA CYS A 74 -1.981 -34.690 5.805 1.00 0.00 C ATOM 1153 C CYS A 74 -1.872 -35.603 4.563 1.00 0.00 C ATOM 1154 O CYS A 74 -2.882 -36.108 4.068 1.00 0.00 O ATOM 1155 CB CYS A 74 -2.321 -33.241 5.414 1.00 0.00 C ATOM 1156 SG CYS A 74 -1.417 -32.631 3.956 1.00 0.00 S ATOM 0 H CYS A 74 -0.450 -33.711 6.842 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.786 -35.149 6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.391 -33.170 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.107 -32.588 6.260 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.281 -32.123 4.331 1.00 0.00 H new ATOM 1162 N GLN A 75 -0.657 -35.859 4.058 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.438 -36.730 2.906 1.00 0.00 C ATOM 1164 C GLN A 75 -0.870 -38.173 3.201 1.00 0.00 C ATOM 1165 O GLN A 75 -1.395 -38.849 2.322 1.00 0.00 O ATOM 1166 CB GLN A 75 1.037 -36.649 2.462 1.00 0.00 C ATOM 1167 CG GLN A 75 2.008 -37.488 3.316 1.00 0.00 C ATOM 1168 CD GLN A 75 3.480 -37.210 3.024 1.00 0.00 C ATOM 1169 OE1 GLN A 75 3.862 -36.576 2.057 1.00 0.00 O ATOM 1170 NE2 GLN A 75 4.386 -37.694 3.848 1.00 0.00 N ATOM 0 H GLN A 75 0.201 -35.464 4.442 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.062 -36.384 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.110 -36.976 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.355 -35.607 2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.813 -37.292 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.807 -38.546 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.097 -38.229 4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.377 -37.534 3.668 1.00 0.00 H new