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 51 ASN : amide:sc= 0.669 K(o=1.8,f=-2.3!) USER MOD Set 1.2: A 54 CYS SG : rot -61:sc= 1.54 USER MOD Set 1.3: A 74 CYS SG : rot -110:sc= -0.428 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 161:sc= 2.08 (180deg=0.172) USER MOD Set 2.2: A 27 THR OG1 : rot 140:sc= 1.02 USER MOD Set 3.1: A 25 TYR OH : rot 150:sc= -0.569 USER MOD Set 3.2: A 39 ASN : amide:sc= 0.444 K(o=2.6,f=0.81) USER MOD Set 3.3: A 44 THR OG1 : rot 81:sc= 2.74 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 0.454 (180deg=-2.05!) USER MOD Single : A 20 TYR OH : rot 13:sc= 0.986 USER MOD Single : A 32 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.953 K(o=0.95,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.917) USER MOD Single : A 41 MET CE :methyl 174:sc= 0 (180deg=-0.0547) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.216 K(o=-0.22,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.4) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0.511) USER MOD Single : A 56 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= -1.12 (180deg=-1.89) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 70 MET CE :methyl -172:sc= -0.275 (180deg=-0.501) USER MOD Single : A 71 MET CE :methyl 173:sc= -1.9 (180deg=-2.11) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 6.063 -13.734 2.144 1.00 0.00 N ATOM 71 CA ILE A 6 4.619 -13.490 2.379 1.00 0.00 C ATOM 72 C ILE A 6 4.379 -12.446 3.454 1.00 0.00 C ATOM 73 O ILE A 6 3.332 -11.810 3.467 1.00 0.00 O ATOM 74 CB ILE A 6 3.837 -14.772 2.722 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.936 -15.174 4.205 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.372 -15.911 1.862 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.838 -14.611 5.112 1.00 0.00 C ATOM 0 HA ILE A 6 4.241 -13.111 1.430 1.00 0.00 H new ATOM 0 HB ILE A 6 2.785 -14.571 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.916 -16.262 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.903 -14.849 4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.829 -16.827 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.238 -15.665 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.432 -16.056 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.999 -14.953 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.867 -13.522 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.865 -14.957 4.763 1.00 0.00 H new ATOM 89 N LEU A 7 5.340 -12.302 4.367 1.00 0.00 N ATOM 90 CA LEU A 7 5.350 -11.382 5.519 1.00 0.00 C ATOM 91 C LEU A 7 4.989 -9.909 5.217 1.00 0.00 C ATOM 92 O LEU A 7 4.800 -9.111 6.131 1.00 0.00 O ATOM 93 CB LEU A 7 6.695 -11.535 6.258 1.00 0.00 C ATOM 94 CG LEU A 7 7.952 -11.149 5.448 1.00 0.00 C ATOM 95 CD1 LEU A 7 8.229 -9.642 5.424 1.00 0.00 C ATOM 96 CD2 LEU A 7 9.180 -11.827 6.059 1.00 0.00 C ATOM 0 H LEU A 7 6.193 -12.860 4.324 1.00 0.00 H new ATOM 0 HA LEU A 7 4.526 -11.681 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.665 -10.924 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.796 -12.572 6.579 1.00 0.00 H new ATOM 0 HG LEU A 7 7.761 -11.476 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.126 -9.446 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.382 -9.123 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.376 -9.283 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.068 -11.555 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.299 -11.501 7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.049 -12.909 6.033 1.00 0.00 H new ATOM 108 N ASP A 8 4.857 -9.582 3.940 1.00 0.00 N ATOM 109 CA ASP A 8 4.521 -8.281 3.350 1.00 0.00 C ATOM 110 C ASP A 8 3.014 -8.133 3.035 1.00 0.00 C ATOM 111 O ASP A 8 2.510 -7.025 2.867 1.00 0.00 O ATOM 112 CB ASP A 8 5.345 -8.172 2.063 1.00 0.00 C ATOM 113 CG ASP A 8 5.412 -6.747 1.531 1.00 0.00 C ATOM 114 OD1 ASP A 8 6.135 -5.899 2.090 1.00 0.00 O ATOM 115 OD2 ASP A 8 4.819 -6.424 0.478 1.00 0.00 O ATOM 0 H ASP A 8 4.995 -10.286 3.214 1.00 0.00 H new ATOM 0 HA ASP A 8 4.750 -7.486 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.356 -8.534 2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.911 -8.820 1.302 1.00 0.00 H new ATOM 120 N ILE A 9 2.279 -9.254 3.017 1.00 0.00 N ATOM 121 CA ILE A 9 0.818 -9.355 2.851 1.00 0.00 C ATOM 122 C ILE A 9 0.134 -10.071 4.022 1.00 0.00 C ATOM 123 O ILE A 9 -0.982 -10.593 3.912 1.00 0.00 O ATOM 124 CB ILE A 9 0.442 -10.040 1.523 1.00 0.00 C ATOM 125 CG1 ILE A 9 0.968 -11.490 1.455 1.00 0.00 C ATOM 126 CG2 ILE A 9 0.891 -9.260 0.288 1.00 0.00 C ATOM 127 CD1 ILE A 9 -0.018 -12.386 0.724 1.00 0.00 C ATOM 0 H ILE A 9 2.713 -10.171 3.124 1.00 0.00 H new ATOM 0 HA ILE A 9 0.451 -8.329 2.834 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.648 -10.060 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.931 -11.509 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.133 -11.870 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.594 -9.800 -0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.425 -8.275 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.975 -9.149 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.372 -13.403 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.972 -12.382 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.162 -12.016 -0.291 1.00 0.00 H new ATOM 139 N ARG A 10 0.823 -10.158 5.158 1.00 0.00 N ATOM 140 CA ARG A 10 0.408 -10.889 6.364 1.00 0.00 C ATOM 141 C ARG A 10 -0.654 -10.137 7.174 1.00 0.00 C ATOM 142 O ARG A 10 -0.425 -9.747 8.310 1.00 0.00 O ATOM 143 CB ARG A 10 1.638 -11.382 7.155 1.00 0.00 C ATOM 144 CG ARG A 10 2.499 -10.317 7.854 1.00 0.00 C ATOM 145 CD ARG A 10 2.185 -10.131 9.345 1.00 0.00 C ATOM 146 NE ARG A 10 3.358 -10.450 10.184 1.00 0.00 N ATOM 147 CZ ARG A 10 3.596 -10.058 11.420 1.00 0.00 C ATOM 148 NH1 ARG A 10 2.753 -9.326 12.093 1.00 0.00 N ATOM 149 NH2 ARG A 10 4.710 -10.412 12.000 1.00 0.00 N ATOM 0 H ARG A 10 1.728 -9.702 5.273 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.117 -11.796 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.292 -12.086 7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.279 -11.938 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.549 -10.588 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.362 -9.363 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.873 -9.103 9.528 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.349 -10.772 9.626 1.00 0.00 H new ATOM 0 HE ARG A 10 4.068 -11.044 9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.874 -9.037 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.973 -9.042 13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.387 -10.986 11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.904 -10.114 12.956 1.00 0.00 H new ATOM 163 N GLN A 11 -1.847 -9.970 6.601 1.00 0.00 N ATOM 164 CA GLN A 11 -3.059 -9.477 7.281 1.00 0.00 C ATOM 165 C GLN A 11 -3.219 -10.039 8.708 1.00 0.00 C ATOM 166 O GLN A 11 -3.582 -9.330 9.639 1.00 0.00 O ATOM 167 CB GLN A 11 -4.249 -9.901 6.404 1.00 0.00 C ATOM 168 CG GLN A 11 -5.629 -9.621 7.016 1.00 0.00 C ATOM 169 CD GLN A 11 -6.751 -10.237 6.183 1.00 0.00 C ATOM 170 OE1 GLN A 11 -6.707 -10.289 4.967 1.00 0.00 O ATOM 171 NE2 GLN A 11 -7.775 -10.782 6.803 1.00 0.00 N ATOM 0 H GLN A 11 -2.008 -10.180 5.616 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.997 -8.395 7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.180 -9.384 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.168 -10.968 6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.666 -10.021 8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.782 -8.544 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.831 -10.749 7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.513 -11.237 6.266 1.00 0.00 H new ATOM 180 N GLY A 12 -2.959 -11.339 8.853 1.00 0.00 N ATOM 181 CA GLY A 12 -2.997 -12.098 10.098 1.00 0.00 C ATOM 182 C GLY A 12 -3.862 -13.344 9.900 1.00 0.00 C ATOM 183 O GLY A 12 -4.948 -13.440 10.463 1.00 0.00 O ATOM 0 H GLY A 12 -2.702 -11.922 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.988 -12.384 10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.403 -11.483 10.901 1.00 0.00 H new ATOM 187 N PRO A 13 -3.432 -14.285 9.048 1.00 0.00 N ATOM 188 CA PRO A 13 -4.228 -15.423 8.576 1.00 0.00 C ATOM 189 C PRO A 13 -4.432 -16.548 9.618 1.00 0.00 C ATOM 190 O PRO A 13 -4.529 -17.718 9.263 1.00 0.00 O ATOM 191 CB PRO A 13 -3.478 -15.878 7.324 1.00 0.00 C ATOM 192 CG PRO A 13 -2.025 -15.632 7.726 1.00 0.00 C ATOM 193 CD PRO A 13 -2.116 -14.297 8.428 1.00 0.00 C ATOM 0 HA PRO A 13 -5.260 -15.138 8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.667 -16.926 7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.763 -15.301 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.645 -16.414 8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.363 -15.594 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.328 -14.189 9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.004 -13.473 7.724 1.00 0.00 H new ATOM 201 N LYS A 14 -4.539 -16.203 10.910 1.00 0.00 N ATOM 202 CA LYS A 14 -4.769 -17.122 12.052 1.00 0.00 C ATOM 203 C LYS A 14 -6.000 -18.044 11.992 1.00 0.00 C ATOM 204 O LYS A 14 -6.200 -18.867 12.878 1.00 0.00 O ATOM 205 CB LYS A 14 -4.765 -16.341 13.384 1.00 0.00 C ATOM 206 CG LYS A 14 -5.410 -14.940 13.480 1.00 0.00 C ATOM 207 CD LYS A 14 -6.919 -14.794 13.206 1.00 0.00 C ATOM 208 CE LYS A 14 -7.793 -15.458 14.285 1.00 0.00 C ATOM 209 NZ LYS A 14 -9.215 -15.021 14.212 1.00 0.00 N ATOM 0 H LYS A 14 -4.465 -15.231 11.209 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.928 -17.811 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.255 -16.971 14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.724 -16.237 13.691 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.219 -14.557 14.483 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.884 -14.287 12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.171 -13.735 13.143 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.151 -15.235 12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.742 -16.541 14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.393 -15.220 15.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.828 -15.768 14.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.340 -14.151 14.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.472 -14.839 13.221 1.00 0.00 H new ATOM 223 N GLU A 15 -6.845 -17.859 10.992 1.00 0.00 N ATOM 224 CA GLU A 15 -8.188 -18.422 10.879 1.00 0.00 C ATOM 225 C GLU A 15 -8.636 -18.863 9.471 1.00 0.00 C ATOM 226 O GLU A 15 -9.215 -19.945 9.390 1.00 0.00 O ATOM 227 CB GLU A 15 -9.087 -17.336 11.447 1.00 0.00 C ATOM 228 CG GLU A 15 -10.570 -17.638 11.602 1.00 0.00 C ATOM 229 CD GLU A 15 -11.083 -16.574 12.576 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.015 -15.372 12.226 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.138 -16.876 13.787 1.00 0.00 O ATOM 0 H GLU A 15 -6.602 -17.279 10.189 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.232 -19.369 11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.699 -17.062 12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.991 -16.457 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.088 -17.581 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.731 -18.643 11.992 1.00 0.00 H new ATOM 238 N PRO A 16 -8.395 -18.143 8.358 1.00 0.00 N ATOM 239 CA PRO A 16 -8.720 -18.675 7.031 1.00 0.00 C ATOM 240 C PRO A 16 -7.779 -19.815 6.608 1.00 0.00 C ATOM 241 O PRO A 16 -6.672 -19.941 7.124 1.00 0.00 O ATOM 242 CB PRO A 16 -8.577 -17.478 6.083 1.00 0.00 C ATOM 243 CG PRO A 16 -7.550 -16.586 6.770 1.00 0.00 C ATOM 244 CD PRO A 16 -7.883 -16.784 8.245 1.00 0.00 C ATOM 0 HA PRO A 16 -9.720 -19.109 7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.238 -17.789 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.527 -16.961 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.529 -16.889 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.649 -15.544 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.999 -16.646 8.867 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.624 -16.058 8.579 1.00 0.00 H new ATOM 252 N PHE A 17 -8.209 -20.621 5.628 1.00 0.00 N ATOM 253 CA PHE A 17 -7.332 -21.539 4.880 1.00 0.00 C ATOM 254 C PHE A 17 -7.347 -21.115 3.413 1.00 0.00 C ATOM 255 O PHE A 17 -6.613 -20.183 3.112 1.00 0.00 O ATOM 256 CB PHE A 17 -7.547 -23.045 5.124 1.00 0.00 C ATOM 257 CG PHE A 17 -6.436 -23.707 5.939 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.009 -23.148 7.162 1.00 0.00 C ATOM 259 CD2 PHE A 17 -5.747 -24.828 5.424 1.00 0.00 C ATOM 260 CE1 PHE A 17 -4.865 -23.643 7.811 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.622 -25.348 6.096 1.00 0.00 C ATOM 262 CZ PHE A 17 -4.165 -24.728 7.271 1.00 0.00 C ATOM 0 H PHE A 17 -9.183 -20.656 5.328 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.323 -21.435 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.496 -23.187 5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.628 -23.551 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.565 -22.334 7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.085 -25.290 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.525 -23.185 8.728 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.114 -26.219 5.709 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.272 -25.089 7.759 1.00 0.00 H new ATOM 272 N ARG A 18 -8.158 -21.664 2.479 1.00 0.00 N ATOM 273 CA ARG A 18 -8.035 -21.311 1.046 1.00 0.00 C ATOM 274 C ARG A 18 -8.192 -19.822 0.777 1.00 0.00 C ATOM 275 O ARG A 18 -7.642 -19.253 -0.159 1.00 0.00 O ATOM 276 CB ARG A 18 -8.929 -22.188 0.155 1.00 0.00 C ATOM 277 CG ARG A 18 -10.442 -21.972 0.283 1.00 0.00 C ATOM 278 CD ARG A 18 -11.033 -20.713 -0.361 1.00 0.00 C ATOM 279 NE ARG A 18 -11.275 -20.845 -1.815 1.00 0.00 N ATOM 280 CZ ARG A 18 -10.498 -20.376 -2.784 1.00 0.00 C ATOM 281 NH1 ARG A 18 -9.350 -19.823 -2.546 1.00 0.00 N ATOM 282 NH2 ARG A 18 -10.875 -20.433 -4.031 1.00 0.00 N ATOM 0 H ARG A 18 -8.892 -22.341 2.687 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.007 -21.538 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.647 -22.019 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.713 -23.233 0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.943 -22.838 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.691 -21.956 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.973 -20.470 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.356 -19.876 -0.189 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.118 -21.343 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.015 -19.736 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.782 -19.475 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.778 -20.842 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.267 -20.069 -4.765 1.00 0.00 H new ATOM 296 N ASP A 19 -8.989 -19.253 1.663 1.00 0.00 N ATOM 297 CA ASP A 19 -9.486 -17.888 1.784 1.00 0.00 C ATOM 298 C ASP A 19 -8.330 -16.869 1.954 1.00 0.00 C ATOM 299 O ASP A 19 -8.497 -15.676 1.728 1.00 0.00 O ATOM 300 CB ASP A 19 -10.541 -17.893 2.926 1.00 0.00 C ATOM 301 CG ASP A 19 -11.080 -19.307 3.278 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.925 -19.877 2.555 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.514 -20.001 4.157 1.00 0.00 O ATOM 0 H ASP A 19 -9.357 -19.820 2.427 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.975 -17.549 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.098 -17.451 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.378 -17.257 2.637 1.00 0.00 H new ATOM 308 N TYR A 20 -7.131 -17.391 2.240 1.00 0.00 N ATOM 309 CA TYR A 20 -5.823 -16.709 2.219 1.00 0.00 C ATOM 310 C TYR A 20 -4.701 -17.559 1.569 1.00 0.00 C ATOM 311 O TYR A 20 -3.714 -16.991 1.105 1.00 0.00 O ATOM 312 CB TYR A 20 -5.421 -16.243 3.629 1.00 0.00 C ATOM 313 CG TYR A 20 -4.115 -15.452 3.695 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.084 -14.069 3.408 1.00 0.00 C ATOM 315 CD2 TYR A 20 -2.917 -16.105 4.054 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.880 -13.344 3.517 1.00 0.00 C ATOM 317 CE2 TYR A 20 -1.715 -15.385 4.164 1.00 0.00 C ATOM 318 CZ TYR A 20 -1.695 -14.004 3.906 1.00 0.00 C ATOM 319 OH TYR A 20 -0.529 -13.322 4.044 1.00 0.00 O ATOM 0 H TYR A 20 -7.038 -18.370 2.512 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.945 -15.831 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.223 -15.627 4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.333 -17.117 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.989 -13.564 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.924 -17.168 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.865 -12.285 3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.806 -15.894 4.447 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.711 -12.359 4.041 1.00 0.00 H new ATOM 329 N VAL A 21 -4.852 -18.889 1.438 1.00 0.00 N ATOM 330 CA VAL A 21 -3.881 -19.804 0.792 1.00 0.00 C ATOM 331 C VAL A 21 -3.500 -19.327 -0.598 1.00 0.00 C ATOM 332 O VAL A 21 -2.315 -19.280 -0.916 1.00 0.00 O ATOM 333 CB VAL A 21 -4.371 -21.280 0.773 1.00 0.00 C ATOM 334 CG1 VAL A 21 -5.046 -21.780 -0.513 1.00 0.00 C ATOM 335 CG2 VAL A 21 -3.275 -22.305 1.019 1.00 0.00 C ATOM 0 H VAL A 21 -5.677 -19.376 1.788 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.982 -19.782 1.407 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.099 -21.218 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.338 -22.823 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.931 -21.178 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.349 -21.695 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.701 -23.308 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.511 -22.213 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.826 -22.130 1.997 1.00 0.00 H new ATOM 345 N ASP A 22 -4.478 -18.885 -1.388 1.00 0.00 N ATOM 346 CA ASP A 22 -4.259 -18.373 -2.728 1.00 0.00 C ATOM 347 C ASP A 22 -3.268 -17.208 -2.738 1.00 0.00 C ATOM 348 O ASP A 22 -2.269 -17.177 -3.461 1.00 0.00 O ATOM 349 CB ASP A 22 -5.625 -17.878 -3.200 1.00 0.00 C ATOM 350 CG ASP A 22 -6.648 -18.952 -3.574 1.00 0.00 C ATOM 351 OD1 ASP A 22 -6.572 -20.085 -3.060 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.617 -18.595 -4.280 1.00 0.00 O ATOM 0 H ASP A 22 -5.458 -18.875 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.839 -19.147 -3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.054 -17.258 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.474 -17.234 -4.066 1.00 0.00 H new ATOM 357 N ARG A 23 -3.580 -16.255 -1.863 1.00 0.00 N ATOM 358 CA ARG A 23 -2.881 -14.988 -1.638 1.00 0.00 C ATOM 359 C ARG A 23 -1.472 -15.224 -1.093 1.00 0.00 C ATOM 360 O ARG A 23 -0.540 -14.556 -1.528 1.00 0.00 O ATOM 361 CB ARG A 23 -3.717 -14.074 -0.705 1.00 0.00 C ATOM 362 CG ARG A 23 -5.244 -14.279 -0.747 1.00 0.00 C ATOM 363 CD ARG A 23 -5.869 -14.159 -2.142 1.00 0.00 C ATOM 364 NE ARG A 23 -6.539 -12.860 -2.308 1.00 0.00 N ATOM 365 CZ ARG A 23 -7.534 -12.561 -3.128 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.055 -13.412 -3.971 1.00 0.00 N ATOM 367 NH2 ARG A 23 -8.031 -11.357 -3.114 1.00 0.00 N ATOM 0 H ARG A 23 -4.387 -16.353 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.768 -14.477 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.378 -14.227 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.503 -13.036 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.476 -15.265 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.713 -13.547 -0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.096 -14.274 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.587 -14.965 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.196 -12.099 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.695 -14.365 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.822 -13.123 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.653 -10.657 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.798 -11.115 -3.741 1.00 0.00 H new ATOM 381 N PHE A 24 -1.318 -16.205 -0.207 1.00 0.00 N ATOM 382 CA PHE A 24 -0.028 -16.609 0.368 1.00 0.00 C ATOM 383 C PHE A 24 0.895 -17.167 -0.729 1.00 0.00 C ATOM 384 O PHE A 24 1.989 -16.648 -0.980 1.00 0.00 O ATOM 385 CB PHE A 24 -0.290 -17.631 1.495 1.00 0.00 C ATOM 386 CG PHE A 24 0.947 -18.288 2.086 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.519 -19.390 1.431 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.520 -17.839 3.290 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.701 -19.973 1.898 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.703 -18.435 3.765 1.00 0.00 C ATOM 391 CZ PHE A 24 3.356 -19.424 3.010 1.00 0.00 C ATOM 0 H PHE A 24 -2.102 -16.757 0.142 1.00 0.00 H new ATOM 0 HA PHE A 24 0.486 -15.749 0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.832 -17.130 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.945 -18.412 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.038 -19.794 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.054 -17.040 3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.108 -20.843 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.112 -18.130 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.347 -19.756 3.282 1.00 0.00 H new ATOM 401 N TYR A 25 0.407 -18.188 -1.445 1.00 0.00 N ATOM 402 CA TYR A 25 1.144 -18.858 -2.522 1.00 0.00 C ATOM 403 C TYR A 25 1.414 -17.939 -3.731 1.00 0.00 C ATOM 404 O TYR A 25 2.495 -18.017 -4.315 1.00 0.00 O ATOM 405 CB TYR A 25 0.475 -20.194 -2.879 1.00 0.00 C ATOM 406 CG TYR A 25 0.850 -21.343 -1.945 1.00 0.00 C ATOM 407 CD1 TYR A 25 0.116 -21.614 -0.770 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.940 -22.176 -2.269 1.00 0.00 C ATOM 409 CE1 TYR A 25 0.416 -22.727 0.031 1.00 0.00 C ATOM 410 CE2 TYR A 25 2.218 -23.316 -1.491 1.00 0.00 C ATOM 411 CZ TYR A 25 1.428 -23.616 -0.370 1.00 0.00 C ATOM 412 OH TYR A 25 1.620 -24.780 0.290 1.00 0.00 O ATOM 0 H TYR A 25 -0.523 -18.576 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 25 2.141 -19.097 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.607 -20.063 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.747 -20.464 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.689 -20.954 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.564 -21.939 -3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.127 -22.899 0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.042 -23.962 -1.757 1.00 0.00 H new ATOM 0 HH TYR A 25 1.970 -25.454 -0.330 1.00 0.00 H new ATOM 422 N LYS A 26 0.529 -16.974 -4.029 1.00 0.00 N ATOM 423 CA LYS A 26 0.716 -15.866 -5.000 1.00 0.00 C ATOM 424 C LYS A 26 2.016 -15.053 -4.816 1.00 0.00 C ATOM 425 O LYS A 26 2.403 -14.302 -5.717 1.00 0.00 O ATOM 426 CB LYS A 26 -0.578 -15.009 -4.980 1.00 0.00 C ATOM 427 CG LYS A 26 -0.491 -13.530 -5.396 1.00 0.00 C ATOM 428 CD LYS A 26 -0.017 -12.624 -4.239 1.00 0.00 C ATOM 429 CE LYS A 26 0.614 -11.329 -4.763 1.00 0.00 C ATOM 430 NZ LYS A 26 2.001 -11.564 -5.234 1.00 0.00 N ATOM 0 H LYS A 26 -0.386 -16.937 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 26 0.865 -16.287 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.305 -15.493 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.983 -15.045 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.195 -13.431 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.469 -13.194 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.862 -12.383 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.708 -13.162 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.012 -10.932 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.617 -10.577 -3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.290 -10.788 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.643 -11.605 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.044 -12.464 -5.753 1.00 0.00 H new ATOM 444 N THR A 27 2.669 -15.170 -3.662 1.00 0.00 N ATOM 445 CA THR A 27 3.949 -14.535 -3.364 1.00 0.00 C ATOM 446 C THR A 27 4.982 -15.594 -2.988 1.00 0.00 C ATOM 447 O THR A 27 5.987 -15.699 -3.687 1.00 0.00 O ATOM 448 CB THR A 27 3.700 -13.442 -2.312 1.00 0.00 C ATOM 449 OG1 THR A 27 3.559 -12.224 -3.009 1.00 0.00 O ATOM 450 CG2 THR A 27 4.805 -13.222 -1.312 1.00 0.00 C ATOM 0 H THR A 27 2.311 -15.726 -2.886 1.00 0.00 H new ATOM 0 HA THR A 27 4.381 -14.036 -4.231 1.00 0.00 H new ATOM 0 HB THR A 27 2.827 -13.770 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.842 -11.695 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.518 -12.429 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.980 -14.142 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.717 -12.935 -1.835 1.00 0.00 H new ATOM 458 N LEU A 28 4.677 -16.466 -2.017 1.00 0.00 N ATOM 459 CA LEU A 28 5.557 -17.563 -1.584 1.00 0.00 C ATOM 460 C LEU A 28 6.201 -18.337 -2.742 1.00 0.00 C ATOM 461 O LEU A 28 7.399 -18.636 -2.704 1.00 0.00 O ATOM 462 CB LEU A 28 4.749 -18.500 -0.680 1.00 0.00 C ATOM 463 CG LEU A 28 5.508 -19.703 -0.115 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.561 -20.891 -1.087 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.849 -19.331 0.501 1.00 0.00 C ATOM 0 H LEU A 28 3.798 -16.429 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 28 6.393 -17.124 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.356 -17.919 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.892 -18.868 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 28 4.917 -20.065 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.112 -21.712 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.547 -21.218 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.061 -20.587 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.336 -20.229 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.482 -18.869 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.691 -18.628 1.319 1.00 0.00 H new ATOM 477 N ARG A 29 5.418 -18.669 -3.782 1.00 0.00 N ATOM 478 CA ARG A 29 5.862 -19.515 -4.907 1.00 0.00 C ATOM 479 C ARG A 29 6.915 -18.870 -5.834 1.00 0.00 C ATOM 480 O ARG A 29 7.082 -19.297 -6.976 1.00 0.00 O ATOM 481 CB ARG A 29 4.663 -20.163 -5.615 1.00 0.00 C ATOM 482 CG ARG A 29 3.977 -19.290 -6.673 1.00 0.00 C ATOM 483 CD ARG A 29 4.221 -19.844 -8.089 1.00 0.00 C ATOM 484 NE ARG A 29 4.005 -18.832 -9.142 1.00 0.00 N ATOM 485 CZ ARG A 29 4.928 -18.091 -9.734 1.00 0.00 C ATOM 486 NH1 ARG A 29 6.187 -18.079 -9.384 1.00 0.00 N ATOM 487 NH2 ARG A 29 4.590 -17.336 -10.737 1.00 0.00 N ATOM 0 H ARG A 29 4.451 -18.356 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 29 6.437 -20.334 -4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.997 -21.085 -6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.925 -20.441 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.906 -19.247 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.354 -18.270 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.242 -20.220 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.557 -20.691 -8.263 1.00 0.00 H new ATOM 0 HE ARG A 29 3.042 -18.689 -9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.508 -18.665 -8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.849 -17.484 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.622 -17.319 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.292 -16.760 -11.201 1.00 0.00 H new ATOM 501 N ALA A 30 7.597 -17.829 -5.361 1.00 0.00 N ATOM 502 CA ALA A 30 8.772 -17.211 -5.970 1.00 0.00 C ATOM 503 C ALA A 30 10.039 -17.294 -5.086 1.00 0.00 C ATOM 504 O ALA A 30 11.121 -17.089 -5.620 1.00 0.00 O ATOM 505 CB ALA A 30 8.420 -15.760 -6.317 1.00 0.00 C ATOM 0 H ALA A 30 7.328 -17.368 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 30 9.027 -17.767 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.283 -15.276 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.583 -15.746 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.143 -15.226 -5.408 1.00 0.00 H new ATOM 511 N GLU A 31 9.920 -17.667 -3.802 1.00 0.00 N ATOM 512 CA GLU A 31 11.043 -17.824 -2.852 1.00 0.00 C ATOM 513 C GLU A 31 11.209 -19.301 -2.441 1.00 0.00 C ATOM 514 O GLU A 31 12.165 -19.938 -2.869 1.00 0.00 O ATOM 515 CB GLU A 31 10.828 -16.954 -1.597 1.00 0.00 C ATOM 516 CG GLU A 31 10.780 -15.435 -1.822 1.00 0.00 C ATOM 517 CD GLU A 31 12.145 -14.744 -1.980 1.00 0.00 C ATOM 518 OE1 GLU A 31 13.033 -15.317 -2.648 1.00 0.00 O ATOM 519 OE2 GLU A 31 12.252 -13.602 -1.466 1.00 0.00 O ATOM 0 H GLU A 31 9.015 -17.875 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 31 11.952 -17.494 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.894 -17.260 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.629 -17.170 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.187 -15.236 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.256 -14.978 -0.983 1.00 0.00 H new ATOM 526 N GLN A 32 10.253 -19.912 -1.714 1.00 0.00 N ATOM 527 CA GLN A 32 10.283 -21.369 -1.444 1.00 0.00 C ATOM 528 C GLN A 32 9.875 -22.202 -2.667 1.00 0.00 C ATOM 529 O GLN A 32 10.105 -23.412 -2.695 1.00 0.00 O ATOM 530 CB GLN A 32 9.303 -21.767 -0.321 1.00 0.00 C ATOM 531 CG GLN A 32 9.647 -21.321 1.102 1.00 0.00 C ATOM 532 CD GLN A 32 10.871 -22.065 1.652 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.995 -21.915 1.214 1.00 0.00 O ATOM 534 NE2 GLN A 32 10.724 -22.941 2.624 1.00 0.00 N ATOM 0 H GLN A 32 9.455 -19.426 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 32 11.316 -21.573 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.321 -21.366 -0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.213 -22.853 -0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.840 -20.248 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.792 -21.496 1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.802 -23.105 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.532 -23.455 2.974 1.00 0.00 H new ATOM 543 N ALA A 33 9.209 -21.568 -3.640 1.00 0.00 N ATOM 544 CA ALA A 33 8.514 -22.175 -4.782 1.00 0.00 C ATOM 545 C ALA A 33 7.381 -23.152 -4.379 1.00 0.00 C ATOM 546 O ALA A 33 6.220 -22.860 -4.660 1.00 0.00 O ATOM 547 CB ALA A 33 9.530 -22.758 -5.774 1.00 0.00 C ATOM 0 H ALA A 33 9.137 -20.551 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 33 7.977 -21.382 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.001 -23.205 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.182 -21.963 -6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.129 -23.520 -5.276 1.00 0.00 H new ATOM 553 N SER A 34 7.688 -24.244 -3.673 1.00 0.00 N ATOM 554 CA SER A 34 6.811 -25.347 -3.229 1.00 0.00 C ATOM 555 C SER A 34 5.556 -25.620 -4.080 1.00 0.00 C ATOM 556 O SER A 34 5.620 -26.472 -4.954 1.00 0.00 O ATOM 557 CB SER A 34 6.433 -25.215 -1.745 1.00 0.00 C ATOM 558 OG SER A 34 7.569 -25.182 -0.900 1.00 0.00 O ATOM 0 H SER A 34 8.648 -24.399 -3.365 1.00 0.00 H new ATOM 0 HA SER A 34 7.437 -26.226 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.850 -24.306 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.795 -26.051 -1.459 1.00 0.00 H new ATOM 0 HG SER A 34 7.281 -25.096 0.033 1.00 0.00 H new ATOM 564 N GLN A 35 4.422 -24.939 -3.839 1.00 0.00 N ATOM 565 CA GLN A 35 3.092 -25.246 -4.403 1.00 0.00 C ATOM 566 C GLN A 35 2.774 -26.765 -4.368 1.00 0.00 C ATOM 567 O GLN A 35 2.170 -27.344 -5.270 1.00 0.00 O ATOM 568 CB GLN A 35 3.036 -24.557 -5.780 1.00 0.00 C ATOM 569 CG GLN A 35 1.707 -24.649 -6.553 1.00 0.00 C ATOM 570 CD GLN A 35 1.859 -25.303 -7.921 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.821 -24.651 -8.952 1.00 0.00 O ATOM 572 NE2 GLN A 35 2.007 -26.606 -7.976 1.00 0.00 N ATOM 0 H GLN A 35 4.404 -24.127 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 35 2.278 -24.846 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.275 -23.503 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.821 -24.983 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.988 -25.217 -5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.296 -23.647 -6.679 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.039 -27.152 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.090 -27.072 -8.879 1.00 0.00 H new ATOM 581 N GLU A 36 3.188 -27.426 -3.285 1.00 0.00 N ATOM 582 CA GLU A 36 3.258 -28.883 -3.141 1.00 0.00 C ATOM 583 C GLU A 36 3.068 -29.301 -1.670 1.00 0.00 C ATOM 584 O GLU A 36 3.221 -28.494 -0.753 1.00 0.00 O ATOM 585 CB GLU A 36 4.663 -29.306 -3.628 1.00 0.00 C ATOM 586 CG GLU A 36 4.849 -30.814 -3.839 1.00 0.00 C ATOM 587 CD GLU A 36 6.153 -31.339 -3.251 1.00 0.00 C ATOM 588 OE1 GLU A 36 7.248 -30.888 -3.645 1.00 0.00 O ATOM 589 OE2 GLU A 36 6.007 -32.143 -2.302 1.00 0.00 O ATOM 0 H GLU A 36 3.498 -26.938 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 36 2.469 -29.363 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.875 -28.794 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.401 -28.962 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.012 -31.345 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.824 -31.032 -4.907 1.00 0.00 H new ATOM 596 N VAL A 37 2.799 -30.590 -1.443 1.00 0.00 N ATOM 597 CA VAL A 37 2.834 -31.273 -0.142 1.00 0.00 C ATOM 598 C VAL A 37 4.125 -30.973 0.634 1.00 0.00 C ATOM 599 O VAL A 37 4.087 -30.890 1.860 1.00 0.00 O ATOM 600 CB VAL A 37 2.642 -32.792 -0.374 1.00 0.00 C ATOM 601 CG1 VAL A 37 2.961 -33.704 0.819 1.00 0.00 C ATOM 602 CG2 VAL A 37 1.190 -33.068 -0.791 1.00 0.00 C ATOM 0 H VAL A 37 2.537 -31.221 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 37 2.021 -30.897 0.479 1.00 0.00 H new ATOM 0 HB VAL A 37 3.368 -33.037 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.790 -34.743 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.004 -33.573 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.316 -33.444 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.055 -34.137 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.515 -32.733 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.967 -32.530 -1.712 1.00 0.00 H new ATOM 612 N LYS A 38 5.269 -30.755 -0.029 1.00 0.00 N ATOM 613 CA LYS A 38 6.510 -30.341 0.669 1.00 0.00 C ATOM 614 C LYS A 38 6.420 -29.027 1.461 1.00 0.00 C ATOM 615 O LYS A 38 7.336 -28.800 2.255 1.00 0.00 O ATOM 616 CB LYS A 38 7.707 -30.292 -0.304 1.00 0.00 C ATOM 617 CG LYS A 38 8.390 -31.659 -0.499 1.00 0.00 C ATOM 618 CD LYS A 38 9.626 -31.918 0.380 1.00 0.00 C ATOM 619 CE LYS A 38 9.370 -31.968 1.895 1.00 0.00 C ATOM 620 NZ LYS A 38 9.408 -30.624 2.529 1.00 0.00 N ATOM 0 H LYS A 38 5.368 -30.855 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 38 6.663 -31.118 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.365 -29.923 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.440 -29.577 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.657 -32.442 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.684 -31.752 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.074 -32.864 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.361 -31.138 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.398 -32.425 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.117 -32.608 2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.620 -30.724 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.145 -30.047 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.485 -30.159 2.413 1.00 0.00 H new ATOM 634 N ASN A 39 5.406 -28.181 1.279 1.00 0.00 N ATOM 635 CA ASN A 39 5.267 -26.910 1.998 1.00 0.00 C ATOM 636 C ASN A 39 5.291 -27.073 3.534 1.00 0.00 C ATOM 637 O ASN A 39 4.415 -27.716 4.104 1.00 0.00 O ATOM 638 CB ASN A 39 3.984 -26.226 1.530 1.00 0.00 C ATOM 639 CG ASN A 39 3.897 -24.806 2.053 1.00 0.00 C ATOM 640 OD1 ASN A 39 4.666 -23.939 1.680 1.00 0.00 O ATOM 641 ND2 ASN A 39 2.933 -24.504 2.886 1.00 0.00 N ATOM 0 H ASN A 39 4.648 -28.359 0.621 1.00 0.00 H new ATOM 0 HA ASN A 39 6.132 -26.289 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.950 -26.218 0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.120 -26.796 1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.829 -23.546 3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.286 -25.227 3.201 1.00 0.00 H new ATOM 648 N ALA A 40 6.311 -26.487 4.173 1.00 0.00 N ATOM 649 CA ALA A 40 6.572 -26.406 5.620 1.00 0.00 C ATOM 650 C ALA A 40 7.793 -25.474 5.871 1.00 0.00 C ATOM 651 O ALA A 40 8.289 -24.847 4.929 1.00 0.00 O ATOM 652 CB ALA A 40 6.833 -27.821 6.171 1.00 0.00 C ATOM 0 H ALA A 40 7.043 -26.013 3.644 1.00 0.00 H new ATOM 0 HA ALA A 40 5.707 -25.989 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.027 -27.764 7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.959 -28.448 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.698 -28.253 5.668 1.00 0.00 H new ATOM 658 N MET A 41 8.312 -25.415 7.108 1.00 0.00 N ATOM 659 CA MET A 41 9.601 -24.777 7.467 1.00 0.00 C ATOM 660 C MET A 41 9.762 -23.297 7.044 1.00 0.00 C ATOM 661 O MET A 41 10.855 -22.843 6.716 1.00 0.00 O ATOM 662 CB MET A 41 10.777 -25.650 6.977 1.00 0.00 C ATOM 663 CG MET A 41 10.729 -27.097 7.491 1.00 0.00 C ATOM 664 SD MET A 41 12.086 -28.156 6.905 1.00 0.00 S ATOM 665 CE MET A 41 13.478 -27.460 7.837 1.00 0.00 C ATOM 0 H MET A 41 7.836 -25.820 7.914 1.00 0.00 H new ATOM 0 HA MET A 41 9.606 -24.726 8.556 1.00 0.00 H new ATOM 0 HB2 MET A 41 10.780 -25.661 5.887 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.714 -25.192 7.294 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.743 -27.082 8.581 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.781 -27.544 7.190 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.367 -28.068 7.671 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.667 -26.441 7.501 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.237 -27.453 8.900 1.00 0.00 H new ATOM 675 N THR A 42 8.657 -22.554 7.040 1.00 0.00 N ATOM 676 CA THR A 42 8.534 -21.108 6.794 1.00 0.00 C ATOM 677 C THR A 42 7.474 -20.517 7.718 1.00 0.00 C ATOM 678 O THR A 42 6.879 -21.245 8.506 1.00 0.00 O ATOM 679 CB THR A 42 8.159 -20.826 5.322 1.00 0.00 C ATOM 680 OG1 THR A 42 7.464 -21.898 4.707 1.00 0.00 O ATOM 681 CG2 THR A 42 9.450 -20.591 4.572 1.00 0.00 C ATOM 0 H THR A 42 7.747 -22.977 7.223 1.00 0.00 H new ATOM 0 HA THR A 42 9.498 -20.642 6.997 1.00 0.00 H new ATOM 0 HB THR A 42 7.492 -19.965 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.253 -21.662 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.230 -20.387 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.973 -19.738 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.080 -21.478 4.645 1.00 0.00 H new ATOM 689 N GLU A 43 7.195 -19.212 7.615 1.00 0.00 N ATOM 690 CA GLU A 43 6.030 -18.592 8.270 1.00 0.00 C ATOM 691 C GLU A 43 4.687 -19.186 7.803 1.00 0.00 C ATOM 692 O GLU A 43 3.629 -18.847 8.326 1.00 0.00 O ATOM 693 CB GLU A 43 6.033 -17.072 8.033 1.00 0.00 C ATOM 694 CG GLU A 43 5.744 -16.591 6.603 1.00 0.00 C ATOM 695 CD GLU A 43 6.986 -16.429 5.719 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.677 -17.453 5.520 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.188 -15.297 5.208 1.00 0.00 O ATOM 0 H GLU A 43 7.765 -18.557 7.079 1.00 0.00 H new ATOM 0 HA GLU A 43 6.123 -18.807 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.294 -16.624 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.007 -16.684 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.065 -17.298 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.224 -15.635 6.654 1.00 0.00 H new ATOM 704 N THR A 44 4.739 -19.995 6.741 1.00 0.00 N ATOM 705 CA THR A 44 3.634 -20.770 6.171 1.00 0.00 C ATOM 706 C THR A 44 2.743 -21.455 7.203 1.00 0.00 C ATOM 707 O THR A 44 3.163 -21.920 8.260 1.00 0.00 O ATOM 708 CB THR A 44 4.096 -21.760 5.086 1.00 0.00 C ATOM 709 OG1 THR A 44 3.001 -22.008 4.216 1.00 0.00 O ATOM 710 CG2 THR A 44 4.612 -23.089 5.618 1.00 0.00 C ATOM 0 H THR A 44 5.608 -20.135 6.225 1.00 0.00 H new ATOM 0 HA THR A 44 3.007 -20.019 5.690 1.00 0.00 H new ATOM 0 HB THR A 44 4.939 -21.293 4.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.925 -21.276 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.915 -23.722 4.784 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.468 -22.913 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.823 -23.586 6.183 1.00 0.00 H new ATOM 718 N LEU A 45 1.472 -21.543 6.835 1.00 0.00 N ATOM 719 CA LEU A 45 0.396 -21.923 7.741 1.00 0.00 C ATOM 720 C LEU A 45 -0.761 -22.668 7.047 1.00 0.00 C ATOM 721 O LEU A 45 -1.847 -22.736 7.609 1.00 0.00 O ATOM 722 CB LEU A 45 -0.020 -20.640 8.492 1.00 0.00 C ATOM 723 CG LEU A 45 -0.487 -19.516 7.550 1.00 0.00 C ATOM 724 CD1 LEU A 45 -1.961 -19.227 7.754 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.312 -18.233 7.733 1.00 0.00 C ATOM 0 H LEU A 45 1.155 -21.350 5.885 1.00 0.00 H new ATOM 0 HA LEU A 45 0.741 -22.668 8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.823 -20.878 9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.822 -20.283 9.085 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.318 -19.871 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.272 -18.430 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.540 -20.126 7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.132 -18.917 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.058 -17.473 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.202 -17.879 8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.365 -18.427 7.527 1.00 0.00 H new ATOM 737 N LEU A 46 -0.567 -23.155 5.807 1.00 0.00 N ATOM 738 CA LEU A 46 -1.620 -23.702 4.927 1.00 0.00 C ATOM 739 C LEU A 46 -1.102 -24.245 3.576 1.00 0.00 C ATOM 740 O LEU A 46 0.014 -23.937 3.150 1.00 0.00 O ATOM 741 CB LEU A 46 -2.738 -22.655 4.702 1.00 0.00 C ATOM 742 CG LEU A 46 -2.353 -21.162 4.730 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.231 -20.655 3.817 1.00 0.00 C ATOM 744 CD2 LEU A 46 -3.613 -20.340 4.548 1.00 0.00 C ATOM 0 H LEU A 46 0.357 -23.180 5.375 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.025 -24.566 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.199 -22.862 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.503 -22.816 5.461 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.888 -21.035 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.095 -19.584 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.304 -21.176 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.495 -20.844 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.361 -19.280 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.074 -20.588 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.311 -20.560 5.356 1.00 0.00 H new ATOM 756 N VAL A 47 -1.930 -25.039 2.877 1.00 0.00 N ATOM 757 CA VAL A 47 -1.610 -25.697 1.602 1.00 0.00 C ATOM 758 C VAL A 47 -2.825 -25.697 0.677 1.00 0.00 C ATOM 759 O VAL A 47 -3.974 -25.836 1.088 1.00 0.00 O ATOM 760 CB VAL A 47 -1.106 -27.139 1.808 1.00 0.00 C ATOM 761 CG1 VAL A 47 -0.607 -27.750 0.496 1.00 0.00 C ATOM 762 CG2 VAL A 47 0.080 -27.161 2.771 1.00 0.00 C ATOM 0 H VAL A 47 -2.876 -25.247 3.198 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.806 -25.125 1.139 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.950 -27.707 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.259 -28.767 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.421 -27.769 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.214 -27.150 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.422 -28.187 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.891 -26.558 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.226 -26.753 3.734 1.00 0.00 H new ATOM 772 N GLN A 48 -2.541 -25.494 -0.606 1.00 0.00 N ATOM 773 CA GLN A 48 -3.517 -25.220 -1.668 1.00 0.00 C ATOM 774 C GLN A 48 -4.526 -26.339 -1.950 1.00 0.00 C ATOM 775 O GLN A 48 -5.622 -26.060 -2.421 1.00 0.00 O ATOM 776 CB GLN A 48 -2.755 -24.894 -2.949 1.00 0.00 C ATOM 777 CG GLN A 48 -1.972 -23.596 -2.759 1.00 0.00 C ATOM 778 CD GLN A 48 -1.058 -23.366 -3.936 1.00 0.00 C ATOM 779 OE1 GLN A 48 0.043 -23.884 -4.017 1.00 0.00 O ATOM 780 NE2 GLN A 48 -1.502 -22.609 -4.911 1.00 0.00 N ATOM 0 H GLN A 48 -1.583 -25.516 -0.954 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.119 -24.384 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.075 -25.709 -3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.450 -24.793 -3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.661 -22.758 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.389 -23.645 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.423 -22.176 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.926 -22.453 -5.738 1.00 0.00 H new ATOM 789 N ASN A 49 -4.181 -27.591 -1.645 1.00 0.00 N ATOM 790 CA ASN A 49 -5.053 -28.757 -1.764 1.00 0.00 C ATOM 791 C ASN A 49 -6.113 -28.880 -0.646 1.00 0.00 C ATOM 792 O ASN A 49 -6.724 -29.935 -0.486 1.00 0.00 O ATOM 793 CB ASN A 49 -4.136 -29.980 -1.883 1.00 0.00 C ATOM 794 CG ASN A 49 -3.104 -30.127 -0.776 1.00 0.00 C ATOM 795 OD1 ASN A 49 -3.316 -29.809 0.377 1.00 0.00 O ATOM 796 ND2 ASN A 49 -1.909 -30.554 -1.113 1.00 0.00 N ATOM 0 H ASN A 49 -3.252 -27.828 -1.296 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.676 -28.660 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.755 -30.877 -1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.615 -29.932 -2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.172 -30.615 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.717 -30.824 -2.078 1.00 0.00 H new ATOM 803 N ALA A 50 -6.320 -27.804 0.119 1.00 0.00 N ATOM 804 CA ALA A 50 -7.390 -27.650 1.106 1.00 0.00 C ATOM 805 C ALA A 50 -8.791 -27.958 0.532 1.00 0.00 C ATOM 806 O ALA A 50 -9.093 -27.685 -0.629 1.00 0.00 O ATOM 807 CB ALA A 50 -7.321 -26.241 1.706 1.00 0.00 C ATOM 0 H ALA A 50 -5.720 -26.981 0.064 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.233 -28.388 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.116 -26.120 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.354 -26.098 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.444 -25.502 0.914 1.00 0.00 H new ATOM 813 N ASN A 51 -9.681 -28.445 1.396 1.00 0.00 N ATOM 814 CA ASN A 51 -10.952 -29.089 1.059 1.00 0.00 C ATOM 815 C ASN A 51 -11.931 -28.937 2.261 1.00 0.00 C ATOM 816 O ASN A 51 -11.665 -28.067 3.096 1.00 0.00 O ATOM 817 CB ASN A 51 -10.559 -30.535 0.681 1.00 0.00 C ATOM 818 CG ASN A 51 -10.206 -31.413 1.874 1.00 0.00 C ATOM 819 OD1 ASN A 51 -9.784 -30.957 2.928 1.00 0.00 O ATOM 820 ND2 ASN A 51 -10.439 -32.693 1.750 1.00 0.00 N ATOM 0 H ASN A 51 -9.527 -28.399 2.403 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.497 -28.650 0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.384 -30.994 0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.707 -30.503 0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.269 -33.321 2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.791 -33.064 0.867 1.00 0.00 H new ATOM 827 N PRO A 52 -13.058 -29.674 2.408 1.00 0.00 N ATOM 828 CA PRO A 52 -13.878 -29.516 3.611 1.00 0.00 C ATOM 829 C PRO A 52 -13.181 -30.049 4.873 1.00 0.00 C ATOM 830 O PRO A 52 -13.393 -29.488 5.945 1.00 0.00 O ATOM 831 CB PRO A 52 -15.191 -30.248 3.324 1.00 0.00 C ATOM 832 CG PRO A 52 -14.794 -31.322 2.317 1.00 0.00 C ATOM 833 CD PRO A 52 -13.644 -30.687 1.534 1.00 0.00 C ATOM 0 HA PRO A 52 -14.054 -28.461 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.612 -30.684 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -15.944 -29.574 2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.480 -32.239 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -15.626 -31.583 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.903 -31.436 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.005 -30.239 0.608 1.00 0.00 H new ATOM 841 N ASP A 53 -12.350 -31.087 4.746 1.00 0.00 N ATOM 842 CA ASP A 53 -11.770 -31.845 5.858 1.00 0.00 C ATOM 843 C ASP A 53 -10.878 -30.973 6.765 1.00 0.00 C ATOM 844 O ASP A 53 -11.290 -30.614 7.870 1.00 0.00 O ATOM 845 CB ASP A 53 -11.035 -33.053 5.255 1.00 0.00 C ATOM 846 CG ASP A 53 -10.811 -34.150 6.286 1.00 0.00 C ATOM 847 OD1 ASP A 53 -11.743 -34.968 6.447 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.717 -34.152 6.888 1.00 0.00 O ATOM 0 H ASP A 53 -12.052 -31.435 3.835 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.555 -32.198 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.613 -33.451 4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.075 -32.731 4.853 1.00 0.00 H new ATOM 853 N CYS A 54 -9.727 -30.501 6.258 1.00 0.00 N ATOM 854 CA CYS A 54 -8.819 -29.591 6.976 1.00 0.00 C ATOM 855 C CYS A 54 -9.552 -28.417 7.633 1.00 0.00 C ATOM 856 O CYS A 54 -9.464 -28.175 8.833 1.00 0.00 O ATOM 857 CB CYS A 54 -7.755 -29.015 6.025 1.00 0.00 C ATOM 858 SG CYS A 54 -8.451 -28.495 4.424 1.00 0.00 S ATOM 0 H CYS A 54 -9.396 -30.744 5.324 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.354 -30.193 7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.272 -28.162 6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.982 -29.764 5.854 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.970 -29.524 3.822 1.00 0.00 H new ATOM 864 N LYS A 55 -10.323 -27.679 6.845 1.00 0.00 N ATOM 865 CA LYS A 55 -11.166 -26.576 7.319 1.00 0.00 C ATOM 866 C LYS A 55 -12.026 -26.962 8.522 1.00 0.00 C ATOM 867 O LYS A 55 -11.893 -26.313 9.551 1.00 0.00 O ATOM 868 CB LYS A 55 -12.029 -26.095 6.162 1.00 0.00 C ATOM 869 CG LYS A 55 -11.314 -24.982 5.371 1.00 0.00 C ATOM 870 CD LYS A 55 -11.822 -24.889 3.929 1.00 0.00 C ATOM 871 CE LYS A 55 -11.458 -23.575 3.217 1.00 0.00 C ATOM 872 NZ LYS A 55 -12.119 -22.356 3.769 1.00 0.00 N ATOM 0 H LYS A 55 -10.385 -27.829 5.838 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.517 -25.772 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.255 -26.930 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.980 -25.723 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.466 -24.026 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.241 -25.172 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.416 -25.724 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.906 -25.001 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.378 -23.439 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.719 -23.666 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.084 -21.593 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.110 -22.572 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.623 -22.053 4.632 1.00 0.00 H new ATOM 886 N THR A 56 -12.822 -28.022 8.428 1.00 0.00 N ATOM 887 CA THR A 56 -13.645 -28.538 9.537 1.00 0.00 C ATOM 888 C THR A 56 -12.821 -28.812 10.804 1.00 0.00 C ATOM 889 O THR A 56 -13.338 -28.704 11.913 1.00 0.00 O ATOM 890 CB THR A 56 -14.398 -29.805 9.082 1.00 0.00 C ATOM 891 OG1 THR A 56 -15.157 -29.502 7.930 1.00 0.00 O ATOM 892 CG2 THR A 56 -15.390 -30.336 10.113 1.00 0.00 C ATOM 0 H THR A 56 -12.921 -28.562 7.568 1.00 0.00 H new ATOM 0 HA THR A 56 -14.367 -27.765 9.802 1.00 0.00 H new ATOM 0 HB THR A 56 -13.631 -30.560 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.632 -29.709 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.880 -31.227 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.860 -30.587 11.032 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.139 -29.573 10.324 1.00 0.00 H new ATOM 900 N ILE A 57 -11.527 -29.102 10.640 1.00 0.00 N ATOM 901 CA ILE A 57 -10.645 -29.563 11.727 1.00 0.00 C ATOM 902 C ILE A 57 -9.832 -28.409 12.317 1.00 0.00 C ATOM 903 O ILE A 57 -10.088 -28.012 13.452 1.00 0.00 O ATOM 904 CB ILE A 57 -9.739 -30.719 11.262 1.00 0.00 C ATOM 905 CG1 ILE A 57 -10.588 -31.930 10.827 1.00 0.00 C ATOM 906 CG2 ILE A 57 -8.780 -31.148 12.391 1.00 0.00 C ATOM 907 CD1 ILE A 57 -9.812 -32.814 9.851 1.00 0.00 C ATOM 0 H ILE A 57 -11.053 -29.024 9.740 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.280 -29.949 12.524 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.155 -30.365 10.413 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.875 -32.512 11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.509 -31.584 10.358 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.149 -31.965 12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.154 -30.303 12.677 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.358 -31.479 13.253 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.431 -33.662 9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.548 -32.234 8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.904 -33.177 10.332 1.00 0.00 H new ATOM 919 N LEU A 58 -8.873 -27.818 11.582 1.00 0.00 N ATOM 920 CA LEU A 58 -7.978 -26.777 12.107 1.00 0.00 C ATOM 921 C LEU A 58 -8.730 -25.537 12.584 1.00 0.00 C ATOM 922 O LEU A 58 -8.176 -24.696 13.287 1.00 0.00 O ATOM 923 CB LEU A 58 -6.933 -26.328 11.075 1.00 0.00 C ATOM 924 CG LEU A 58 -6.007 -27.429 10.544 1.00 0.00 C ATOM 925 CD1 LEU A 58 -6.609 -28.176 9.366 1.00 0.00 C ATOM 926 CD2 LEU A 58 -4.706 -26.780 10.071 1.00 0.00 C ATOM 0 H LEU A 58 -8.698 -28.051 10.605 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.480 -27.246 12.955 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.454 -25.878 10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.319 -25.547 11.523 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.844 -28.142 11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.913 -28.944 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.545 -28.643 9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.801 -27.477 8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.034 -27.549 9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.924 -26.063 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.231 -26.265 10.906 1.00 0.00 H new ATOM 938 N LYS A 59 -9.972 -25.341 12.145 1.00 0.00 N ATOM 939 CA LYS A 59 -10.868 -24.324 12.703 1.00 0.00 C ATOM 940 C LYS A 59 -11.133 -24.461 14.208 1.00 0.00 C ATOM 941 O LYS A 59 -11.275 -23.449 14.881 1.00 0.00 O ATOM 942 CB LYS A 59 -12.129 -24.322 11.865 1.00 0.00 C ATOM 943 CG LYS A 59 -11.873 -23.557 10.552 1.00 0.00 C ATOM 944 CD LYS A 59 -10.566 -23.672 9.718 1.00 0.00 C ATOM 945 CE LYS A 59 -9.542 -22.569 10.031 1.00 0.00 C ATOM 946 NZ LYS A 59 -8.418 -22.929 10.931 1.00 0.00 N ATOM 0 H LYS A 59 -10.389 -25.884 11.389 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.378 -23.352 12.645 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.436 -25.345 11.648 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.945 -23.855 12.417 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.688 -23.826 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.991 -22.499 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.110 -24.644 9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.816 -23.635 8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.122 -22.219 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.075 -21.728 10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.597 -22.327 10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.706 -22.787 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.162 -23.926 10.785 1.00 0.00 H new ATOM 960 N ALA A 60 -11.070 -25.684 14.724 1.00 0.00 N ATOM 961 CA ALA A 60 -11.039 -26.008 16.152 1.00 0.00 C ATOM 962 C ALA A 60 -9.633 -26.464 16.617 1.00 0.00 C ATOM 963 O ALA A 60 -9.428 -26.732 17.798 1.00 0.00 O ATOM 964 CB ALA A 60 -12.104 -27.080 16.418 1.00 0.00 C ATOM 0 H ALA A 60 -11.038 -26.516 14.135 1.00 0.00 H new ATOM 0 HA ALA A 60 -11.262 -25.113 16.733 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.102 -27.340 17.477 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -13.085 -26.695 16.141 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.882 -27.968 15.826 1.00 0.00 H new ATOM 970 N LEU A 61 -8.649 -26.544 15.706 1.00 0.00 N ATOM 971 CA LEU A 61 -7.324 -27.136 15.925 1.00 0.00 C ATOM 972 C LEU A 61 -6.194 -26.223 15.404 1.00 0.00 C ATOM 973 O LEU A 61 -5.359 -26.599 14.582 1.00 0.00 O ATOM 974 CB LEU A 61 -7.325 -28.579 15.366 1.00 0.00 C ATOM 975 CG LEU A 61 -6.758 -29.607 16.362 1.00 0.00 C ATOM 976 CD1 LEU A 61 -7.153 -31.017 15.934 1.00 0.00 C ATOM 977 CD2 LEU A 61 -5.235 -29.524 16.469 1.00 0.00 C ATOM 0 H LEU A 61 -8.762 -26.182 14.759 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.109 -27.214 16.991 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.344 -28.860 15.102 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.738 -28.608 14.448 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.179 -29.376 17.341 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.748 -31.739 16.643 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.240 -31.100 15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.753 -31.221 14.941 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.879 -30.267 17.183 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.791 -29.717 15.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.948 -28.529 16.808 1.00 0.00 H new ATOM 989 N GLY A 62 -6.164 -24.994 15.927 1.00 0.00 N ATOM 990 CA GLY A 62 -5.095 -24.014 15.693 1.00 0.00 C ATOM 991 C GLY A 62 -4.290 -23.642 16.947 1.00 0.00 C ATOM 992 O GLY A 62 -4.105 -22.450 17.174 1.00 0.00 O ATOM 0 H GLY A 62 -6.900 -24.643 16.540 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.412 -24.412 14.942 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.534 -23.108 15.276 1.00 0.00 H new ATOM 996 N PRO A 63 -3.788 -24.593 17.768 1.00 0.00 N ATOM 997 CA PRO A 63 -3.027 -24.310 18.995 1.00 0.00 C ATOM 998 C PRO A 63 -1.583 -23.836 18.711 1.00 0.00 C ATOM 999 O PRO A 63 -0.650 -24.235 19.399 1.00 0.00 O ATOM 1000 CB PRO A 63 -3.081 -25.628 19.782 1.00 0.00 C ATOM 1001 CG PRO A 63 -2.987 -26.666 18.669 1.00 0.00 C ATOM 1002 CD PRO A 63 -3.867 -26.040 17.589 1.00 0.00 C ATOM 0 HA PRO A 63 -3.453 -23.480 19.559 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.257 -25.714 20.491 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.004 -25.725 20.353 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.961 -26.810 18.329 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.358 -27.641 18.986 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.522 -26.326 16.595 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.897 -26.385 17.681 1.00 0.00 H new ATOM 1010 N ALA A 64 -1.384 -23.054 17.642 1.00 0.00 N ATOM 1011 CA ALA A 64 -0.110 -22.458 17.212 1.00 0.00 C ATOM 1012 C ALA A 64 1.094 -23.413 16.999 1.00 0.00 C ATOM 1013 O ALA A 64 2.194 -22.930 16.758 1.00 0.00 O ATOM 1014 CB ALA A 64 0.211 -21.283 18.150 1.00 0.00 C ATOM 0 H ALA A 64 -2.151 -22.805 17.017 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.269 -22.115 16.190 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.153 -20.825 17.850 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.587 -20.543 18.092 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.295 -21.647 19.174 1.00 0.00 H new ATOM 1020 N ALA A 65 0.896 -24.739 17.045 1.00 0.00 N ATOM 1021 CA ALA A 65 1.930 -25.748 16.770 1.00 0.00 C ATOM 1022 C ALA A 65 1.409 -26.892 15.882 1.00 0.00 C ATOM 1023 O ALA A 65 1.824 -27.004 14.740 1.00 0.00 O ATOM 1024 CB ALA A 65 2.481 -26.257 18.108 1.00 0.00 C ATOM 0 H ALA A 65 -0.008 -25.149 17.280 1.00 0.00 H new ATOM 0 HA ALA A 65 2.737 -25.288 16.200 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.250 -27.007 17.923 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.912 -25.425 18.664 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.673 -26.702 18.689 1.00 0.00 H new ATOM 1030 N THR A 66 0.414 -27.681 16.316 1.00 0.00 N ATOM 1031 CA THR A 66 -0.106 -28.846 15.550 1.00 0.00 C ATOM 1032 C THR A 66 -0.544 -28.541 14.107 1.00 0.00 C ATOM 1033 O THR A 66 -0.616 -29.424 13.264 1.00 0.00 O ATOM 1034 CB THR A 66 -1.290 -29.512 16.276 1.00 0.00 C ATOM 1035 OG1 THR A 66 -1.176 -29.399 17.680 1.00 0.00 O ATOM 1036 CG2 THR A 66 -1.398 -31.004 15.964 1.00 0.00 C ATOM 0 H THR A 66 -0.059 -27.537 17.208 1.00 0.00 H new ATOM 0 HA THR A 66 0.752 -29.515 15.491 1.00 0.00 H new ATOM 0 HB THR A 66 -2.174 -28.985 15.915 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.945 -29.831 18.106 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.248 -31.427 16.500 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.539 -31.142 14.892 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.484 -31.508 16.277 1.00 0.00 H new ATOM 1044 N LEU A 67 -0.829 -27.280 13.784 1.00 0.00 N ATOM 1045 CA LEU A 67 -1.046 -26.858 12.400 1.00 0.00 C ATOM 1046 C LEU A 67 0.065 -27.347 11.466 1.00 0.00 C ATOM 1047 O LEU A 67 -0.244 -27.831 10.395 1.00 0.00 O ATOM 1048 CB LEU A 67 -1.137 -25.337 12.398 1.00 0.00 C ATOM 1049 CG LEU A 67 -1.663 -24.612 11.133 1.00 0.00 C ATOM 1050 CD1 LEU A 67 -1.073 -23.209 11.145 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -1.311 -25.285 9.832 1.00 0.00 C ATOM 0 H LEU A 67 -0.916 -26.528 14.467 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.967 -27.300 12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.775 -25.046 13.232 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.140 -24.949 12.608 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.752 -24.620 11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.419 -22.661 10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.392 -22.688 12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.015 -23.272 11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.720 -24.709 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.227 -25.344 9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.731 -26.291 9.817 1.00 0.00 H new ATOM 1063 N GLU A 68 1.327 -27.266 11.855 1.00 0.00 N ATOM 1064 CA GLU A 68 2.459 -27.711 11.017 1.00 0.00 C ATOM 1065 C GLU A 68 2.258 -29.064 10.329 1.00 0.00 C ATOM 1066 O GLU A 68 2.677 -29.247 9.191 1.00 0.00 O ATOM 1067 CB GLU A 68 3.754 -27.759 11.831 1.00 0.00 C ATOM 1068 CG GLU A 68 4.105 -26.375 12.345 1.00 0.00 C ATOM 1069 CD GLU A 68 5.512 -26.339 12.961 1.00 0.00 C ATOM 1070 OE1 GLU A 68 6.470 -26.166 12.172 1.00 0.00 O ATOM 1071 OE2 GLU A 68 5.614 -26.507 14.198 1.00 0.00 O ATOM 0 H GLU A 68 1.609 -26.891 12.761 1.00 0.00 H new ATOM 0 HA GLU A 68 2.522 -26.964 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.640 -28.447 12.669 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.566 -28.141 11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.047 -25.657 11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.373 -26.067 13.091 1.00 0.00 H new ATOM 1078 N GLU A 69 1.572 -29.991 10.992 1.00 0.00 N ATOM 1079 CA GLU A 69 1.095 -31.205 10.297 1.00 0.00 C ATOM 1080 C GLU A 69 -0.180 -30.966 9.463 1.00 0.00 C ATOM 1081 O GLU A 69 -0.253 -31.325 8.280 1.00 0.00 O ATOM 1082 CB GLU A 69 0.897 -32.389 11.254 1.00 0.00 C ATOM 1083 CG GLU A 69 -0.054 -32.174 12.436 1.00 0.00 C ATOM 1084 CD GLU A 69 -0.523 -33.500 13.034 1.00 0.00 C ATOM 1085 OE1 GLU A 69 0.343 -34.363 13.290 1.00 0.00 O ATOM 1086 OE2 GLU A 69 -1.753 -33.630 13.218 1.00 0.00 O ATOM 0 H GLU A 69 1.334 -29.938 11.982 1.00 0.00 H new ATOM 0 HA GLU A 69 1.893 -31.463 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.531 -33.236 10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.872 -32.671 11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.448 -31.586 13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.919 -31.597 12.107 1.00 0.00 H new ATOM 1093 N MET A 70 -1.199 -30.355 10.075 1.00 0.00 N ATOM 1094 CA MET A 70 -2.555 -30.200 9.516 1.00 0.00 C ATOM 1095 C MET A 70 -2.616 -29.299 8.275 1.00 0.00 C ATOM 1096 O MET A 70 -3.557 -29.371 7.486 1.00 0.00 O ATOM 1097 CB MET A 70 -3.496 -29.689 10.598 1.00 0.00 C ATOM 1098 CG MET A 70 -3.434 -30.421 11.919 1.00 0.00 C ATOM 1099 SD MET A 70 -5.032 -30.735 12.710 1.00 0.00 S ATOM 1100 CE MET A 70 -4.583 -32.277 13.556 1.00 0.00 C ATOM 0 H MET A 70 -1.105 -29.940 11.002 1.00 0.00 H new ATOM 0 HA MET A 70 -2.871 -31.187 9.177 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.278 -28.636 10.776 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.517 -29.743 10.221 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.932 -31.376 11.763 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.815 -29.844 12.606 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.475 -32.723 13.996 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.146 -32.972 12.839 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.859 -32.063 14.342 1.00 0.00 H new ATOM 1110 N MET A 71 -1.574 -28.485 8.114 1.00 0.00 N ATOM 1111 CA MET A 71 -1.182 -27.681 6.962 1.00 0.00 C ATOM 1112 C MET A 71 -1.425 -28.469 5.684 1.00 0.00 C ATOM 1113 O MET A 71 -2.066 -27.968 4.767 1.00 0.00 O ATOM 1114 CB MET A 71 0.313 -27.369 7.176 1.00 0.00 C ATOM 1115 CG MET A 71 1.069 -26.620 6.076 1.00 0.00 C ATOM 1116 SD MET A 71 2.766 -26.184 6.548 1.00 0.00 S ATOM 1117 CE MET A 71 2.504 -25.061 7.947 1.00 0.00 C ATOM 0 H MET A 71 -0.909 -28.361 8.877 1.00 0.00 H new ATOM 0 HA MET A 71 -1.757 -26.760 6.868 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.402 -26.788 8.094 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.828 -28.315 7.347 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.095 -27.236 5.177 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.524 -25.711 5.823 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.463 -24.821 8.405 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.031 -24.145 7.594 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.860 -25.542 8.684 1.00 0.00 H new ATOM 1127 N THR A 72 -0.983 -29.724 5.694 1.00 0.00 N ATOM 1128 CA THR A 72 -0.907 -30.618 4.548 1.00 0.00 C ATOM 1129 C THR A 72 -1.639 -31.935 4.767 1.00 0.00 C ATOM 1130 O THR A 72 -1.986 -32.575 3.780 1.00 0.00 O ATOM 1131 CB THR A 72 0.558 -30.992 4.318 1.00 0.00 C ATOM 1132 OG1 THR A 72 1.437 -29.907 4.569 1.00 0.00 O ATOM 1133 CG2 THR A 72 0.827 -31.456 2.895 1.00 0.00 C ATOM 0 H THR A 72 -0.650 -30.166 6.551 1.00 0.00 H new ATOM 0 HA THR A 72 -1.362 -30.088 3.712 1.00 0.00 H new ATOM 0 HB THR A 72 0.744 -31.805 5.020 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.361 -30.192 4.411 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.882 -31.709 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.220 -32.335 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.572 -30.658 2.198 1.00 0.00 H new ATOM 1141 N ALA A 73 -1.880 -32.376 6.008 1.00 0.00 N ATOM 1142 CA ALA A 73 -2.438 -33.705 6.292 1.00 0.00 C ATOM 1143 C ALA A 73 -3.716 -34.039 5.490 1.00 0.00 C ATOM 1144 O ALA A 73 -3.939 -35.191 5.110 1.00 0.00 O ATOM 1145 CB ALA A 73 -2.694 -33.804 7.800 1.00 0.00 C ATOM 0 H ALA A 73 -1.694 -31.822 6.844 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.708 -34.447 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.109 -34.784 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.756 -33.669 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.399 -33.029 8.101 1.00 0.00 H new ATOM 1151 N CYS A 74 -4.513 -33.021 5.149 1.00 0.00 N ATOM 1152 CA CYS A 74 -5.766 -33.207 4.396 1.00 0.00 C ATOM 1153 C CYS A 74 -5.590 -33.715 2.950 1.00 0.00 C ATOM 1154 O CYS A 74 -6.538 -34.206 2.341 1.00 0.00 O ATOM 1155 CB CYS A 74 -6.556 -31.899 4.422 1.00 0.00 C ATOM 1156 SG CYS A 74 -5.613 -30.562 3.617 1.00 0.00 S ATOM 0 H CYS A 74 -4.313 -32.049 5.384 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.313 -34.006 4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -7.511 -32.035 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.780 -31.624 5.453 1.00 0.00 H new ATOM 0 HG CYS A 74 -5.223 -29.705 4.514 1.00 0.00 H new ATOM 1162 N GLN A 75 -4.381 -33.643 2.390 1.00 0.00 N ATOM 1163 CA GLN A 75 -4.089 -33.990 0.994 1.00 0.00 C ATOM 1164 C GLN A 75 -4.493 -35.413 0.557 1.00 0.00 C ATOM 1165 O GLN A 75 -4.678 -35.669 -0.632 1.00 0.00 O ATOM 1166 CB GLN A 75 -2.603 -33.713 0.742 1.00 0.00 C ATOM 1167 CG GLN A 75 -1.613 -34.641 1.477 1.00 0.00 C ATOM 1168 CD GLN A 75 -1.368 -35.975 0.783 1.00 0.00 C ATOM 1169 OE1 GLN A 75 -1.023 -36.050 -0.382 1.00 0.00 O ATOM 1170 NE2 GLN A 75 -1.502 -37.084 1.475 1.00 0.00 N ATOM 0 H GLN A 75 -3.557 -33.335 2.905 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.722 -33.361 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.415 -33.788 -0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.390 -32.684 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.661 -34.122 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.990 -34.832 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.790 -37.043 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.318 -37.985 1.035 1.00 0.00 H new