USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 94 SER OG : rot 103:sc= -1.03 USER MOD Set 1.2: A 129 HIS :FLIP no HD1:sc= -0.335 F(o=-2.8,f=-1.4) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0971 X(o=-0.097,f=-0.31) USER MOD Single : A 15 GLN : amide:sc= 0.0449 K(o=0.045,f=-0.46) USER MOD Single : A 17 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.019) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 41:sc= 0.32 USER MOD Single : A 31 GLN : amide:sc= -0.0116 K(o=-0.012,f=-0.59) USER MOD Single : A 48 ASN : amide:sc= -0.0915 K(o=-0.092,f=-2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.472 K(o=0.47,f=-0.43) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.701 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 75 TYR OH : rot 151:sc= -0.0505 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.772! X(o=-0.77!,f=-0.51) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.1 X(o=0.1,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.14) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -172:sc= 0.701 (180deg=0.657) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 110 CYS SG : rot 39:sc= 0.613 USER MOD Single : A 114 MET CE :methyl 179:sc= -0.657 (180deg=-0.658) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc=-0.00313 X(o=-0.0031,f=0) USER MOD Single : A 123 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.21) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 130 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.388 17.790 -4.210 1.00 0.00 N ATOM 110 CA TYR A 11 3.173 16.357 -4.025 1.00 0.00 C ATOM 111 C TYR A 11 2.871 16.057 -2.562 1.00 0.00 C ATOM 112 O TYR A 11 1.919 15.340 -2.268 1.00 0.00 O ATOM 113 CB TYR A 11 4.391 15.556 -4.519 1.00 0.00 C ATOM 114 CG TYR A 11 4.558 15.536 -6.027 1.00 0.00 C ATOM 115 CD1 TYR A 11 3.485 15.113 -6.832 1.00 0.00 C ATOM 116 CD2 TYR A 11 5.776 15.906 -6.629 1.00 0.00 C ATOM 117 CE1 TYR A 11 3.608 15.097 -8.228 1.00 0.00 C ATOM 118 CE2 TYR A 11 5.905 15.901 -8.030 1.00 0.00 C ATOM 119 CZ TYR A 11 4.812 15.512 -8.835 1.00 0.00 C ATOM 120 OH TYR A 11 4.915 15.523 -10.190 1.00 0.00 O ATOM 0 HA TYR A 11 2.313 16.051 -4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.292 15.975 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.305 14.530 -4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.560 14.798 -6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.615 16.195 -6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.781 14.767 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.838 16.194 -8.489 1.00 0.00 H new ATOM 0 HH TYR A 11 5.807 15.835 -10.448 1.00 0.00 H new ATOM 130 N SER A 12 3.626 16.647 -1.635 1.00 0.00 N ATOM 131 CA SER A 12 3.435 16.514 -0.196 1.00 0.00 C ATOM 132 C SER A 12 2.033 16.943 0.258 1.00 0.00 C ATOM 133 O SER A 12 1.549 16.451 1.281 1.00 0.00 O ATOM 134 CB SER A 12 4.503 17.339 0.523 1.00 0.00 C ATOM 135 OG SER A 12 5.802 17.017 0.049 1.00 0.00 O ATOM 0 H SER A 12 4.413 17.250 -1.876 1.00 0.00 H new ATOM 0 HA SER A 12 3.532 15.459 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.310 18.401 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.448 17.155 1.596 1.00 0.00 H new ATOM 0 HG SER A 12 6.467 17.559 0.523 1.00 0.00 H new ATOM 141 N GLN A 13 1.385 17.818 -0.513 1.00 0.00 N ATOM 142 CA GLN A 13 0.010 18.245 -0.328 1.00 0.00 C ATOM 143 C GLN A 13 -0.926 17.071 -0.592 1.00 0.00 C ATOM 144 O GLN A 13 -1.405 16.485 0.375 1.00 0.00 O ATOM 145 CB GLN A 13 -0.264 19.448 -1.241 1.00 0.00 C ATOM 146 CG GLN A 13 0.403 20.726 -0.725 1.00 0.00 C ATOM 147 CD GLN A 13 -0.187 21.260 0.580 1.00 0.00 C ATOM 148 OE1 GLN A 13 -1.391 21.200 0.833 1.00 0.00 O ATOM 149 NE2 GLN A 13 0.654 21.844 1.415 1.00 0.00 N ATOM 0 H GLN A 13 1.829 18.263 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.167 18.566 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.099 19.230 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.340 19.607 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.466 20.533 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.322 21.498 -1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.648 21.886 1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.309 22.253 2.283 1.00 0.00 H new ATOM 158 N ARG A 14 -1.099 16.654 -1.861 1.00 0.00 N ATOM 159 CA ARG A 14 -1.870 15.465 -2.247 1.00 0.00 C ATOM 160 C ARG A 14 -1.599 14.282 -1.322 1.00 0.00 C ATOM 161 O ARG A 14 -2.528 13.580 -0.948 1.00 0.00 O ATOM 162 CB ARG A 14 -1.535 15.025 -3.686 1.00 0.00 C ATOM 163 CG ARG A 14 -2.361 15.689 -4.797 1.00 0.00 C ATOM 164 CD ARG A 14 -2.037 14.957 -6.107 1.00 0.00 C ATOM 165 NE ARG A 14 -2.914 15.318 -7.229 1.00 0.00 N ATOM 166 CZ ARG A 14 -4.151 14.868 -7.488 1.00 0.00 C ATOM 167 NH1 ARG A 14 -4.836 14.111 -6.633 1.00 0.00 N ATOM 168 NH2 ARG A 14 -4.708 15.177 -8.649 1.00 0.00 N ATOM 0 H ARG A 14 -0.697 17.146 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.919 15.751 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.481 15.229 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.668 13.945 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.426 15.625 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.115 16.748 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.005 15.170 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.106 13.883 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.536 15.994 -7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.422 13.850 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.775 13.792 -6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.197 15.746 -9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.648 14.846 -8.868 1.00 0.00 H new ATOM 182 N GLN A 15 -0.330 14.052 -0.984 1.00 0.00 N ATOM 183 CA GLN A 15 0.096 12.952 -0.134 1.00 0.00 C ATOM 184 C GLN A 15 -0.648 13.017 1.195 1.00 0.00 C ATOM 185 O GLN A 15 -1.391 12.093 1.520 1.00 0.00 O ATOM 186 CB GLN A 15 1.621 12.959 0.049 1.00 0.00 C ATOM 187 CG GLN A 15 2.318 12.391 -1.197 1.00 0.00 C ATOM 188 CD GLN A 15 3.814 12.693 -1.265 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.464 13.065 -0.285 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.403 12.548 -2.441 1.00 0.00 N ATOM 0 H GLN A 15 0.441 14.639 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.154 12.005 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.966 13.976 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.890 12.368 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.175 11.311 -1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.835 12.796 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.861 12.240 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.399 12.744 -2.540 1.00 0.00 H new ATOM 199 N ASP A 16 -0.485 14.111 1.940 1.00 0.00 N ATOM 200 CA ASP A 16 -1.120 14.294 3.246 1.00 0.00 C ATOM 201 C ASP A 16 -2.642 14.329 3.145 1.00 0.00 C ATOM 202 O ASP A 16 -3.342 13.832 4.024 1.00 0.00 O ATOM 203 CB ASP A 16 -0.652 15.607 3.869 1.00 0.00 C ATOM 204 CG ASP A 16 -0.837 15.624 5.391 1.00 0.00 C ATOM 205 OD1 ASP A 16 -0.649 14.579 6.057 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.115 16.734 5.891 1.00 0.00 O ATOM 0 H ASP A 16 0.095 14.900 1.653 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.831 13.444 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.400 15.766 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.207 16.435 3.428 1.00 0.00 H new ATOM 211 N HIS A 17 -3.152 14.903 2.053 1.00 0.00 N ATOM 212 CA HIS A 17 -4.570 14.971 1.746 1.00 0.00 C ATOM 213 C HIS A 17 -5.153 13.561 1.622 1.00 0.00 C ATOM 214 O HIS A 17 -6.311 13.333 1.965 1.00 0.00 O ATOM 215 CB HIS A 17 -4.769 15.751 0.430 1.00 0.00 C ATOM 216 CG HIS A 17 -5.948 16.699 0.393 1.00 0.00 C ATOM 217 ND1 HIS A 17 -6.083 17.754 -0.486 1.00 0.00 N ATOM 218 CD2 HIS A 17 -7.058 16.690 1.199 1.00 0.00 C ATOM 219 CE1 HIS A 17 -7.244 18.372 -0.219 1.00 0.00 C ATOM 220 NE2 HIS A 17 -7.873 17.754 0.792 1.00 0.00 N ATOM 0 H HIS A 17 -2.568 15.344 1.342 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.091 15.487 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.863 16.322 0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.880 15.032 -0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.265 15.993 1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.617 19.240 -0.742 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.776 18.011 1.190 1.00 0.00 H new ATOM 228 N GLU A 18 -4.381 12.603 1.105 1.00 0.00 N ATOM 229 CA GLU A 18 -4.813 11.223 0.995 1.00 0.00 C ATOM 230 C GLU A 18 -4.658 10.526 2.340 1.00 0.00 C ATOM 231 O GLU A 18 -5.543 9.783 2.728 1.00 0.00 O ATOM 232 CB GLU A 18 -4.015 10.498 -0.100 1.00 0.00 C ATOM 233 CG GLU A 18 -4.910 9.687 -1.041 1.00 0.00 C ATOM 234 CD GLU A 18 -5.910 10.533 -1.848 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.770 11.779 -1.929 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.863 9.950 -2.409 1.00 0.00 O ATOM 0 H GLU A 18 -3.439 12.770 0.752 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.865 11.198 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.453 11.230 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.287 9.834 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.279 9.131 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.463 8.953 -0.455 1.00 0.00 H new ATOM 243 N LEU A 19 -3.568 10.767 3.071 1.00 0.00 N ATOM 244 CA LEU A 19 -3.293 10.125 4.360 1.00 0.00 C ATOM 245 C LEU A 19 -4.408 10.435 5.357 1.00 0.00 C ATOM 246 O LEU A 19 -4.928 9.531 6.006 1.00 0.00 O ATOM 247 CB LEU A 19 -1.914 10.585 4.878 1.00 0.00 C ATOM 248 CG LEU A 19 -0.756 10.049 4.012 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.574 10.774 4.258 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.515 8.569 4.224 1.00 0.00 C ATOM 0 H LEU A 19 -2.841 11.422 2.782 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.265 9.043 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.879 11.674 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.783 10.247 5.906 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.082 10.236 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.345 10.347 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.458 11.834 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.865 10.657 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.310 8.240 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.266 8.387 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.415 8.013 3.964 1.00 0.00 H new ATOM 262 N GLN A 20 -4.817 11.695 5.437 1.00 0.00 N ATOM 263 CA GLN A 20 -5.942 12.112 6.267 1.00 0.00 C ATOM 264 C GLN A 20 -7.273 11.519 5.788 1.00 0.00 C ATOM 265 O GLN A 20 -8.146 11.239 6.610 1.00 0.00 O ATOM 266 CB GLN A 20 -6.016 13.637 6.262 1.00 0.00 C ATOM 267 CG GLN A 20 -4.840 14.243 7.041 1.00 0.00 C ATOM 268 CD GLN A 20 -4.943 15.758 7.122 1.00 0.00 C ATOM 269 OE1 GLN A 20 -5.436 16.310 8.106 1.00 0.00 O ATOM 270 NE2 GLN A 20 -4.456 16.463 6.116 1.00 0.00 N ATOM 0 H GLN A 20 -4.376 12.460 4.926 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.776 11.739 7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.005 14.003 5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.957 13.961 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.816 13.825 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.902 13.967 6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.051 15.988 5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.485 17.482 6.146 1.00 0.00 H new ATOM 279 N ALA A 21 -7.443 11.319 4.481 1.00 0.00 N ATOM 280 CA ALA A 21 -8.620 10.658 3.933 1.00 0.00 C ATOM 281 C ALA A 21 -8.605 9.147 4.214 1.00 0.00 C ATOM 282 O ALA A 21 -9.662 8.555 4.408 1.00 0.00 O ATOM 283 CB ALA A 21 -8.726 10.956 2.436 1.00 0.00 C ATOM 0 H ALA A 21 -6.767 11.612 3.775 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.506 11.054 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.607 10.461 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.812 12.032 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.835 10.588 1.928 1.00 0.00 H new ATOM 289 N LEU A 22 -7.437 8.503 4.279 1.00 0.00 N ATOM 290 CA LEU A 22 -7.306 7.103 4.684 1.00 0.00 C ATOM 291 C LEU A 22 -7.716 6.977 6.152 1.00 0.00 C ATOM 292 O LEU A 22 -8.441 6.055 6.519 1.00 0.00 O ATOM 293 CB LEU A 22 -5.867 6.588 4.439 1.00 0.00 C ATOM 294 CG LEU A 22 -5.496 6.490 2.944 1.00 0.00 C ATOM 295 CD1 LEU A 22 -3.995 6.271 2.762 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.212 5.350 2.230 1.00 0.00 C ATOM 0 H LEU A 22 -6.547 8.945 4.049 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.965 6.479 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.162 7.253 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.758 5.605 4.898 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.808 7.439 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.763 6.206 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.450 7.106 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.700 5.345 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.911 5.331 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.948 4.403 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.290 5.499 2.296 1.00 0.00 H new ATOM 308 N GLU A 23 -7.349 7.945 6.987 1.00 0.00 N ATOM 309 CA GLU A 23 -7.733 7.979 8.386 1.00 0.00 C ATOM 310 C GLU A 23 -9.247 8.197 8.537 1.00 0.00 C ATOM 311 O GLU A 23 -9.811 7.876 9.580 1.00 0.00 O ATOM 312 CB GLU A 23 -6.918 9.093 9.059 1.00 0.00 C ATOM 313 CG GLU A 23 -6.909 8.958 10.580 1.00 0.00 C ATOM 314 CD GLU A 23 -5.964 9.961 11.247 1.00 0.00 C ATOM 315 OE1 GLU A 23 -5.958 11.167 10.897 1.00 0.00 O ATOM 316 OE2 GLU A 23 -5.154 9.520 12.097 1.00 0.00 O ATOM 0 H GLU A 23 -6.770 8.735 6.703 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.519 7.026 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.894 9.068 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.333 10.062 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.919 9.105 10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.610 7.945 10.851 1.00 0.00 H new ATOM 323 N ALA A 24 -9.922 8.707 7.504 1.00 0.00 N ATOM 324 CA ALA A 24 -11.349 8.955 7.502 1.00 0.00 C ATOM 325 C ALA A 24 -12.084 7.706 7.020 1.00 0.00 C ATOM 326 O ALA A 24 -13.060 7.278 7.640 1.00 0.00 O ATOM 327 CB ALA A 24 -11.633 10.173 6.619 1.00 0.00 C ATOM 0 H ALA A 24 -9.470 8.963 6.626 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.708 9.173 8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.705 10.372 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.107 11.041 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.290 9.974 5.604 1.00 0.00 H new ATOM 333 N ILE A 25 -11.640 7.119 5.908 1.00 0.00 N ATOM 334 CA ILE A 25 -12.304 5.985 5.275 1.00 0.00 C ATOM 335 C ILE A 25 -12.207 4.741 6.168 1.00 0.00 C ATOM 336 O ILE A 25 -13.151 3.947 6.220 1.00 0.00 O ATOM 337 CB ILE A 25 -11.701 5.752 3.867 1.00 0.00 C ATOM 338 CG1 ILE A 25 -12.014 6.939 2.919 1.00 0.00 C ATOM 339 CG2 ILE A 25 -12.136 4.408 3.246 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.355 6.883 2.191 1.00 0.00 C ATOM 0 H ILE A 25 -10.799 7.423 5.418 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.365 6.200 5.150 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.620 5.697 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.977 7.861 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.221 7.001 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.683 4.299 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.811 3.589 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.222 4.385 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.463 7.764 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.397 5.986 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.164 6.859 2.921 1.00 0.00 H new ATOM 352 N TYR A 26 -11.071 4.554 6.845 1.00 0.00 N ATOM 353 CA TYR A 26 -10.730 3.302 7.506 1.00 0.00 C ATOM 354 C TYR A 26 -10.714 3.423 9.041 1.00 0.00 C ATOM 355 O TYR A 26 -11.154 2.497 9.724 1.00 0.00 O ATOM 356 CB TYR A 26 -9.369 2.860 6.971 1.00 0.00 C ATOM 357 CG TYR A 26 -9.285 2.428 5.520 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.591 1.105 5.137 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.790 3.335 4.566 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.421 0.696 3.799 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.628 2.935 3.236 1.00 0.00 C ATOM 362 CZ TYR A 26 -8.931 1.619 2.846 1.00 0.00 C ATOM 363 OH TYR A 26 -8.693 1.275 1.552 1.00 0.00 O ATOM 0 H TYR A 26 -10.359 5.277 6.948 1.00 0.00 H new ATOM 0 HA TYR A 26 -11.495 2.558 7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.669 3.683 7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.020 2.032 7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.957 0.403 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.535 4.342 4.861 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.663 -0.314 3.504 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.268 3.642 2.503 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.360 2.056 1.062 1.00 0.00 H new ATOM 373 N GLY A 27 -10.241 4.547 9.589 1.00 0.00 N ATOM 374 CA GLY A 27 -10.289 4.931 11.003 1.00 0.00 C ATOM 375 C GLY A 27 -9.797 3.951 12.084 1.00 0.00 C ATOM 376 O GLY A 27 -10.134 4.181 13.244 1.00 0.00 O ATOM 0 H GLY A 27 -9.785 5.259 9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.710 5.848 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.324 5.178 11.237 1.00 0.00 H new ATOM 380 N SER A 28 -9.038 2.895 11.776 1.00 0.00 N ATOM 381 CA SER A 28 -8.413 1.992 12.754 1.00 0.00 C ATOM 382 C SER A 28 -7.315 1.115 12.142 1.00 0.00 C ATOM 383 O SER A 28 -6.420 0.659 12.854 1.00 0.00 O ATOM 384 CB SER A 28 -9.462 1.020 13.318 1.00 0.00 C ATOM 385 OG SER A 28 -10.076 1.494 14.502 1.00 0.00 O ATOM 0 H SER A 28 -8.834 2.635 10.811 1.00 0.00 H new ATOM 0 HA SER A 28 -7.984 2.639 13.519 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.229 0.844 12.563 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.988 0.060 13.521 1.00 0.00 H new ATOM 0 HG SER A 28 -10.252 2.454 14.417 1.00 0.00 H new ATOM 391 N ASP A 29 -7.412 0.763 10.863 1.00 0.00 N ATOM 392 CA ASP A 29 -6.459 -0.112 10.174 1.00 0.00 C ATOM 393 C ASP A 29 -5.109 0.602 9.964 1.00 0.00 C ATOM 394 O ASP A 29 -4.041 0.002 10.073 1.00 0.00 O ATOM 395 CB ASP A 29 -7.094 -0.585 8.849 1.00 0.00 C ATOM 396 CG ASP A 29 -6.557 0.156 7.630 1.00 0.00 C ATOM 397 OD1 ASP A 29 -6.800 1.379 7.565 1.00 0.00 O ATOM 398 OD2 ASP A 29 -5.870 -0.486 6.813 1.00 0.00 O ATOM 0 H ASP A 29 -8.170 1.083 10.261 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.243 -0.989 10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.912 -1.653 8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.174 -0.450 8.902 1.00 0.00 H new ATOM 403 N PHE A 30 -5.168 1.913 9.761 1.00 0.00 N ATOM 404 CA PHE A 30 -4.144 2.799 9.233 1.00 0.00 C ATOM 405 C PHE A 30 -3.232 3.198 10.377 1.00 0.00 C ATOM 406 O PHE A 30 -3.705 3.497 11.478 1.00 0.00 O ATOM 407 CB PHE A 30 -4.862 3.997 8.570 1.00 0.00 C ATOM 408 CG PHE A 30 -3.986 5.147 8.112 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.013 4.906 7.129 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.177 6.457 8.597 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.240 5.960 6.624 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.394 7.513 8.087 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.445 7.273 7.078 1.00 0.00 C ATOM 0 H PHE A 30 -6.018 2.430 9.985 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.519 2.327 8.475 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.416 3.627 7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.595 4.388 9.276 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.859 3.903 6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.920 6.651 9.356 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.482 5.761 5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.524 8.513 8.474 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.879 8.090 6.656 1.00 0.00 H new ATOM 423 N GLN A 31 -1.923 3.172 10.135 1.00 0.00 N ATOM 424 CA GLN A 31 -0.914 3.610 11.067 1.00 0.00 C ATOM 425 C GLN A 31 0.038 4.538 10.334 1.00 0.00 C ATOM 426 O GLN A 31 0.714 4.129 9.389 1.00 0.00 O ATOM 427 CB GLN A 31 -0.173 2.409 11.689 1.00 0.00 C ATOM 428 CG GLN A 31 -0.191 2.501 13.221 1.00 0.00 C ATOM 429 CD GLN A 31 1.089 2.041 13.918 1.00 0.00 C ATOM 430 OE1 GLN A 31 1.940 1.348 13.368 1.00 0.00 O ATOM 431 NE2 GLN A 31 1.299 2.491 15.139 1.00 0.00 N ATOM 0 H GLN A 31 -1.535 2.833 9.255 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.378 4.147 11.894 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.643 1.479 11.369 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.857 2.385 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.388 3.535 13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.023 1.904 13.595 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.594 3.067 15.599 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.167 2.263 15.624 1.00 0.00 H new ATOM 440 N ASP A 32 0.044 5.803 10.734 1.00 0.00 N ATOM 441 CA ASP A 32 0.933 6.840 10.252 1.00 0.00 C ATOM 442 C ASP A 32 2.289 6.755 10.964 1.00 0.00 C ATOM 443 O ASP A 32 2.361 6.771 12.193 1.00 0.00 O ATOM 444 CB ASP A 32 0.235 8.193 10.423 1.00 0.00 C ATOM 445 CG ASP A 32 0.268 8.784 11.843 1.00 0.00 C ATOM 446 OD1 ASP A 32 -0.331 8.203 12.781 1.00 0.00 O ATOM 447 OD2 ASP A 32 0.866 9.877 11.989 1.00 0.00 O ATOM 0 H ASP A 32 -0.607 6.146 11.440 1.00 0.00 H new ATOM 0 HA ASP A 32 1.149 6.710 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.695 8.908 9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.806 8.086 10.118 1.00 0.00 H new ATOM 452 N LEU A 33 3.380 6.632 10.199 1.00 0.00 N ATOM 453 CA LEU A 33 4.720 6.304 10.700 1.00 0.00 C ATOM 454 C LEU A 33 5.680 7.469 10.419 1.00 0.00 C ATOM 455 O LEU A 33 6.809 7.262 9.969 1.00 0.00 O ATOM 456 CB LEU A 33 5.231 4.974 10.088 1.00 0.00 C ATOM 457 CG LEU A 33 4.237 3.793 10.087 1.00 0.00 C ATOM 458 CD1 LEU A 33 4.821 2.606 9.316 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.860 3.314 11.490 1.00 0.00 C ATOM 0 H LEU A 33 3.355 6.761 9.188 1.00 0.00 H new ATOM 0 HA LEU A 33 4.671 6.158 11.779 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.535 5.166 9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.124 4.668 10.632 1.00 0.00 H new ATOM 0 HG LEU A 33 3.333 4.168 9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.109 1.781 9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.020 2.903 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.750 2.287 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.159 2.483 11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.757 2.986 12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.395 4.132 12.041 1.00 0.00 H new ATOM 641 N PRO A 44 10.477 9.417 3.181 1.00 0.00 N ATOM 642 CA PRO A 44 9.078 9.444 2.753 1.00 0.00 C ATOM 643 C PRO A 44 8.061 9.509 3.911 1.00 0.00 C ATOM 644 O PRO A 44 8.425 9.220 5.050 1.00 0.00 O ATOM 645 CB PRO A 44 8.885 8.147 1.975 1.00 0.00 C ATOM 646 CG PRO A 44 10.275 7.591 1.700 1.00 0.00 C ATOM 647 CD PRO A 44 11.120 8.172 2.813 1.00 0.00 C ATOM 0 HA PRO A 44 8.892 10.347 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.290 7.436 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.350 8.331 1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.281 6.501 1.719 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.641 7.895 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.171 7.491 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.144 8.343 2.480 1.00 0.00 H new ATOM 655 N PRO A 45 6.779 9.830 3.647 1.00 0.00 N ATOM 656 CA PRO A 45 5.692 9.677 4.609 1.00 0.00 C ATOM 657 C PRO A 45 5.254 8.207 4.682 1.00 0.00 C ATOM 658 O PRO A 45 4.358 7.783 3.949 1.00 0.00 O ATOM 659 CB PRO A 45 4.576 10.578 4.076 1.00 0.00 C ATOM 660 CG PRO A 45 4.751 10.500 2.561 1.00 0.00 C ATOM 661 CD PRO A 45 6.267 10.380 2.397 1.00 0.00 C ATOM 0 HA PRO A 45 5.977 9.956 5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.592 10.225 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.677 11.600 4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.230 9.641 2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.360 11.387 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.516 9.731 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.713 11.353 2.191 1.00 0.00 H new ATOM 669 N GLU A 46 5.872 7.409 5.546 1.00 0.00 N ATOM 670 CA GLU A 46 5.623 5.973 5.569 1.00 0.00 C ATOM 671 C GLU A 46 4.378 5.684 6.406 1.00 0.00 C ATOM 672 O GLU A 46 4.089 6.391 7.378 1.00 0.00 O ATOM 673 CB GLU A 46 6.873 5.194 6.018 1.00 0.00 C ATOM 674 CG GLU A 46 6.790 3.736 5.521 1.00 0.00 C ATOM 675 CD GLU A 46 8.102 2.940 5.564 1.00 0.00 C ATOM 676 OE1 GLU A 46 9.219 3.510 5.527 1.00 0.00 O ATOM 677 OE2 GLU A 46 8.015 1.691 5.497 1.00 0.00 O ATOM 0 H GLU A 46 6.548 7.732 6.238 1.00 0.00 H new ATOM 0 HA GLU A 46 5.417 5.617 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.770 5.671 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.953 5.213 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.048 3.209 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.424 3.742 4.494 1.00 0.00 H new ATOM 684 N ILE A 47 3.618 4.661 6.008 1.00 0.00 N ATOM 685 CA ILE A 47 2.396 4.201 6.660 1.00 0.00 C ATOM 686 C ILE A 47 2.306 2.683 6.571 1.00 0.00 C ATOM 687 O ILE A 47 2.984 2.055 5.746 1.00 0.00 O ATOM 688 CB ILE A 47 1.138 4.837 6.049 1.00 0.00 C ATOM 689 CG1 ILE A 47 0.895 4.399 4.586 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.259 6.363 6.183 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.252 3.397 4.423 1.00 0.00 C ATOM 0 H ILE A 47 3.851 4.107 5.184 1.00 0.00 H new ATOM 0 HA ILE A 47 2.443 4.510 7.704 1.00 0.00 H new ATOM 0 HB ILE A 47 0.262 4.487 6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.682 5.282 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.810 3.957 4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.376 6.837 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.340 6.630 7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.147 6.706 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.362 3.137 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.033 2.497 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.179 3.843 4.785 1.00 0.00 H new ATOM 703 N ASN A 48 1.391 2.117 7.352 1.00 0.00 N ATOM 704 CA ASN A 48 0.945 0.750 7.247 1.00 0.00 C ATOM 705 C ASN A 48 -0.587 0.748 7.157 1.00 0.00 C ATOM 706 O ASN A 48 -1.227 1.586 7.797 1.00 0.00 O ATOM 707 CB ASN A 48 1.438 0.038 8.508 1.00 0.00 C ATOM 708 CG ASN A 48 0.863 -1.352 8.575 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.092 -2.156 7.684 1.00 0.00 O ATOM 710 ND2 ASN A 48 0.102 -1.660 9.602 1.00 0.00 N ATOM 0 H ASN A 48 0.927 2.627 8.103 1.00 0.00 H new ATOM 0 HA ASN A 48 1.331 0.243 6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.527 -0.010 8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.146 0.604 9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.313 -2.589 9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.073 -0.970 10.332 1.00 0.00 H new ATOM 717 N LEU A 49 -1.166 -0.163 6.371 1.00 0.00 N ATOM 718 CA LEU A 49 -2.601 -0.455 6.287 1.00 0.00 C ATOM 719 C LEU A 49 -2.771 -1.959 6.541 1.00 0.00 C ATOM 720 O LEU A 49 -1.900 -2.766 6.195 1.00 0.00 O ATOM 721 CB LEU A 49 -3.178 -0.054 4.903 1.00 0.00 C ATOM 722 CG LEU A 49 -3.391 1.463 4.691 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.681 1.842 3.230 1.00 0.00 C ATOM 724 CD2 LEU A 49 -4.562 2.025 5.489 1.00 0.00 C ATOM 0 H LEU A 49 -0.617 -0.749 5.742 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.151 0.124 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.507 -0.422 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.133 -0.561 4.765 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.444 1.886 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.820 2.920 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.843 1.539 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.586 1.335 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.656 3.093 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.481 1.520 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.388 1.864 6.553 1.00 0.00 H new ATOM 736 N VAL A 50 -3.898 -2.358 7.122 1.00 0.00 N ATOM 737 CA VAL A 50 -4.221 -3.710 7.564 1.00 0.00 C ATOM 738 C VAL A 50 -5.458 -4.132 6.780 1.00 0.00 C ATOM 739 O VAL A 50 -6.549 -3.605 7.006 1.00 0.00 O ATOM 740 CB VAL A 50 -4.459 -3.738 9.091 1.00 0.00 C ATOM 741 CG1 VAL A 50 -4.872 -5.139 9.546 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.200 -3.322 9.873 1.00 0.00 C ATOM 0 H VAL A 50 -4.658 -1.704 7.308 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.403 -4.405 7.376 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.257 -3.025 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.035 -5.138 10.624 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.793 -5.429 9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.083 -5.849 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.409 -3.355 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.385 -4.007 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.914 -2.309 9.590 1.00 0.00 H new ATOM 752 N LEU A 51 -5.294 -5.061 5.836 1.00 0.00 N ATOM 753 CA LEU A 51 -6.359 -5.366 4.878 1.00 0.00 C ATOM 754 C LEU A 51 -6.697 -6.845 4.938 1.00 0.00 C ATOM 755 O LEU A 51 -5.814 -7.694 5.098 1.00 0.00 O ATOM 756 CB LEU A 51 -5.987 -4.918 3.457 1.00 0.00 C ATOM 757 CG LEU A 51 -5.651 -3.415 3.338 1.00 0.00 C ATOM 758 CD1 LEU A 51 -4.977 -3.149 1.995 1.00 0.00 C ATOM 759 CD2 LEU A 51 -6.901 -2.530 3.441 1.00 0.00 C ATOM 0 H LEU A 51 -4.443 -5.610 5.714 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.249 -4.801 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.130 -5.499 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.815 -5.149 2.786 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.987 -3.165 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.740 -2.088 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.059 -3.733 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.650 -3.436 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.613 -1.482 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.595 -2.785 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.384 -2.693 4.405 1.00 0.00 H new ATOM 771 N TYR A 52 -7.989 -7.129 4.799 1.00 0.00 N ATOM 772 CA TYR A 52 -8.621 -8.416 5.035 1.00 0.00 C ATOM 773 C TYR A 52 -9.576 -8.712 3.859 1.00 0.00 C ATOM 774 O TYR A 52 -9.880 -7.797 3.086 1.00 0.00 O ATOM 775 CB TYR A 52 -9.386 -8.340 6.366 1.00 0.00 C ATOM 776 CG TYR A 52 -8.604 -7.943 7.609 1.00 0.00 C ATOM 777 CD1 TYR A 52 -7.970 -8.932 8.381 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.624 -6.615 8.076 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.454 -8.640 9.650 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.127 -6.309 9.352 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.583 -7.331 10.163 1.00 0.00 C ATOM 782 OH TYR A 52 -7.216 -7.052 11.441 1.00 0.00 O ATOM 0 H TYR A 52 -8.660 -6.421 4.500 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.886 -9.218 5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.204 -7.630 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.836 -9.315 6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.879 -9.934 7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.023 -5.830 7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.963 -9.408 10.230 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.160 -5.292 9.715 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.372 -6.102 11.626 1.00 0.00 H new ATOM 792 N PRO A 53 -10.038 -9.961 3.675 1.00 0.00 N ATOM 793 CA PRO A 53 -10.961 -10.323 2.613 1.00 0.00 C ATOM 794 C PRO A 53 -12.389 -9.880 2.949 1.00 0.00 C ATOM 795 O PRO A 53 -12.778 -9.836 4.114 1.00 0.00 O ATOM 796 CB PRO A 53 -10.822 -11.846 2.495 1.00 0.00 C ATOM 797 CG PRO A 53 -10.257 -12.350 3.806 1.00 0.00 C ATOM 798 CD PRO A 53 -9.766 -11.101 4.528 1.00 0.00 C ATOM 0 HA PRO A 53 -10.738 -9.830 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.789 -12.305 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.164 -12.109 1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.017 -12.871 4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.443 -13.056 3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.272 -10.990 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.699 -11.175 4.738 1.00 0.00 H new ATOM 896 N VAL A 61 -11.166 -14.830 9.381 1.00 0.00 N ATOM 897 CA VAL A 61 -10.169 -14.496 8.374 1.00 0.00 C ATOM 898 C VAL A 61 -9.051 -15.545 8.258 1.00 0.00 C ATOM 899 O VAL A 61 -8.276 -15.820 9.171 1.00 0.00 O ATOM 900 CB VAL A 61 -9.631 -13.064 8.572 1.00 0.00 C ATOM 901 CG1 VAL A 61 -8.856 -12.652 7.323 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.739 -12.027 8.822 1.00 0.00 C ATOM 0 HA VAL A 61 -10.676 -14.518 7.409 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.996 -13.082 9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.470 -11.641 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.025 -13.340 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.518 -12.681 6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.292 -11.041 8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.418 -12.007 7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.293 -12.296 9.721 1.00 0.00 H new ATOM 912 N TYR A 62 -8.985 -16.152 7.078 1.00 0.00 N ATOM 913 CA TYR A 62 -8.041 -17.212 6.726 1.00 0.00 C ATOM 914 C TYR A 62 -6.755 -16.640 6.132 1.00 0.00 C ATOM 915 O TYR A 62 -5.701 -17.269 6.226 1.00 0.00 O ATOM 916 CB TYR A 62 -8.678 -18.132 5.681 1.00 0.00 C ATOM 917 CG TYR A 62 -9.713 -19.116 6.198 1.00 0.00 C ATOM 918 CD1 TYR A 62 -10.856 -18.691 6.908 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.526 -20.486 5.946 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.800 -19.625 7.368 1.00 0.00 C ATOM 921 CE2 TYR A 62 -10.477 -21.423 6.369 1.00 0.00 C ATOM 922 CZ TYR A 62 -11.616 -20.999 7.088 1.00 0.00 C ATOM 923 OH TYR A 62 -12.533 -21.912 7.508 1.00 0.00 O ATOM 0 H TYR A 62 -9.611 -15.911 6.309 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.800 -17.759 7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.147 -17.511 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.884 -18.695 5.191 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.007 -17.639 7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.642 -20.819 5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.660 -19.296 7.932 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -10.339 -22.471 6.145 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.252 -22.809 7.230 1.00 0.00 H new ATOM 933 N VAL A 63 -6.847 -15.476 5.485 1.00 0.00 N ATOM 934 CA VAL A 63 -5.768 -14.812 4.774 1.00 0.00 C ATOM 935 C VAL A 63 -5.908 -13.319 5.039 1.00 0.00 C ATOM 936 O VAL A 63 -7.017 -12.794 5.023 1.00 0.00 O ATOM 937 CB VAL A 63 -5.816 -15.096 3.255 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.370 -16.513 2.886 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.208 -14.834 2.663 1.00 0.00 C ATOM 0 H VAL A 63 -7.721 -14.951 5.445 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.808 -15.189 5.128 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.101 -14.397 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.429 -16.643 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.343 -16.668 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.021 -17.238 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.195 -15.047 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.939 -15.478 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.481 -13.791 2.822 1.00 0.00 H new ATOM 949 N GLN A 64 -4.797 -12.631 5.244 1.00 0.00 N ATOM 950 CA GLN A 64 -4.691 -11.174 5.357 1.00 0.00 C ATOM 951 C GLN A 64 -3.217 -10.776 5.194 1.00 0.00 C ATOM 952 O GLN A 64 -2.355 -11.659 5.162 1.00 0.00 O ATOM 953 CB GLN A 64 -5.370 -10.654 6.648 1.00 0.00 C ATOM 954 CG GLN A 64 -4.904 -11.188 8.006 1.00 0.00 C ATOM 955 CD GLN A 64 -3.780 -10.325 8.550 1.00 0.00 C ATOM 956 OE1 GLN A 64 -2.609 -10.557 8.283 1.00 0.00 O ATOM 957 NE2 GLN A 64 -4.127 -9.264 9.254 1.00 0.00 N ATOM 0 H GLN A 64 -3.893 -13.093 5.342 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.244 -10.682 4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.255 -9.570 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.437 -10.860 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.738 -11.196 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.564 -12.218 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.110 -9.091 9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.412 -8.617 9.588 1.00 0.00 H new ATOM 966 N VAL A 65 -2.912 -9.487 5.015 1.00 0.00 N ATOM 967 CA VAL A 65 -1.532 -8.999 4.975 1.00 0.00 C ATOM 968 C VAL A 65 -1.480 -7.572 5.544 1.00 0.00 C ATOM 969 O VAL A 65 -2.522 -6.923 5.701 1.00 0.00 O ATOM 970 CB VAL A 65 -0.912 -9.227 3.563 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.287 -8.230 2.459 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.615 -9.286 3.600 1.00 0.00 C ATOM 0 H VAL A 65 -3.613 -8.756 4.894 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.876 -9.575 5.628 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.362 -10.183 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.786 -8.508 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.366 -8.245 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.976 -7.228 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.997 -9.446 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.006 -8.347 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.932 -10.107 4.243 1.00 0.00 H new ATOM 982 N GLU A 66 -0.308 -7.077 5.937 1.00 0.00 N ATOM 983 CA GLU A 66 -0.041 -5.641 6.064 1.00 0.00 C ATOM 984 C GLU A 66 0.368 -5.109 4.691 1.00 0.00 C ATOM 985 O GLU A 66 1.040 -5.819 3.945 1.00 0.00 O ATOM 986 CB GLU A 66 1.109 -5.410 7.050 1.00 0.00 C ATOM 987 CG GLU A 66 0.634 -5.472 8.503 1.00 0.00 C ATOM 988 CD GLU A 66 1.799 -5.630 9.488 1.00 0.00 C ATOM 989 OE1 GLU A 66 2.946 -5.221 9.175 1.00 0.00 O ATOM 990 OE2 GLU A 66 1.591 -6.230 10.567 1.00 0.00 O ATOM 0 H GLU A 66 0.491 -7.664 6.179 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.932 -5.129 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.882 -6.161 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.563 -4.438 6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.080 -4.564 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.056 -6.307 8.622 1.00 0.00 H new ATOM 997 N LEU A 67 0.025 -3.861 4.372 1.00 0.00 N ATOM 998 CA LEU A 67 0.352 -3.170 3.145 1.00 0.00 C ATOM 999 C LEU A 67 1.132 -1.930 3.569 1.00 0.00 C ATOM 1000 O LEU A 67 0.627 -1.089 4.312 1.00 0.00 O ATOM 1001 CB LEU A 67 -0.955 -2.864 2.386 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.761 -1.875 1.224 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.381 -2.385 -0.084 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.394 -0.514 1.522 1.00 0.00 C ATOM 0 H LEU A 67 -0.521 -3.279 5.008 1.00 0.00 H new ATOM 0 HA LEU A 67 0.964 -3.751 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.369 -3.795 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.686 -2.456 3.084 1.00 0.00 H new ATOM 0 HG LEU A 67 0.319 -1.777 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.218 -1.652 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.915 -3.330 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.451 -2.536 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.234 0.155 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.464 -0.639 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.935 -0.087 2.414 1.00 0.00 H new ATOM 1016 N ARG A 68 2.381 -1.845 3.126 1.00 0.00 N ATOM 1017 CA ARG A 68 3.315 -0.774 3.409 1.00 0.00 C ATOM 1018 C ARG A 68 3.340 0.116 2.182 1.00 0.00 C ATOM 1019 O ARG A 68 3.461 -0.383 1.059 1.00 0.00 O ATOM 1020 CB ARG A 68 4.709 -1.377 3.647 1.00 0.00 C ATOM 1021 CG ARG A 68 5.612 -0.494 4.513 1.00 0.00 C ATOM 1022 CD ARG A 68 5.225 -0.649 5.985 1.00 0.00 C ATOM 1023 NE ARG A 68 6.211 -0.009 6.857 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.459 -0.333 8.127 1.00 0.00 C ATOM 1025 NH1 ARG A 68 5.802 -1.316 8.742 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.377 0.352 8.789 1.00 0.00 N ATOM 0 H ARG A 68 2.787 -2.564 2.527 1.00 0.00 H new ATOM 0 HA ARG A 68 3.025 -0.207 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.599 -2.351 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.193 -1.546 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.656 -0.774 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.517 0.549 4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.243 -0.207 6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.146 -1.707 6.234 1.00 0.00 H new ATOM 0 HE ARG A 68 6.758 0.754 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.087 -1.844 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.014 -1.541 9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.879 1.111 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.583 0.122 9.761 1.00 0.00 H new ATOM 1040 N VAL A 69 3.229 1.420 2.396 1.00 0.00 N ATOM 1041 CA VAL A 69 3.346 2.419 1.344 1.00 0.00 C ATOM 1042 C VAL A 69 4.192 3.566 1.885 1.00 0.00 C ATOM 1043 O VAL A 69 3.916 4.093 2.963 1.00 0.00 O ATOM 1044 CB VAL A 69 1.955 2.880 0.857 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.094 3.951 -0.230 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.142 1.720 0.267 1.00 0.00 C ATOM 0 H VAL A 69 3.053 1.819 3.318 1.00 0.00 H new ATOM 0 HA VAL A 69 3.837 1.999 0.466 1.00 0.00 H new ATOM 0 HB VAL A 69 1.438 3.279 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.104 4.264 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.630 4.810 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.647 3.542 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.170 2.088 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.677 1.295 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.000 0.952 1.027 1.00 0.00 H new ATOM 1056 N LYS A 70 5.226 3.961 1.144 1.00 0.00 N ATOM 1057 CA LYS A 70 6.113 5.060 1.503 1.00 0.00 C ATOM 1058 C LYS A 70 5.739 6.377 0.819 1.00 0.00 C ATOM 1059 O LYS A 70 6.054 7.412 1.375 1.00 0.00 O ATOM 1060 CB LYS A 70 7.580 4.623 1.294 1.00 0.00 C ATOM 1061 CG LYS A 70 8.052 4.431 -0.161 1.00 0.00 C ATOM 1062 CD LYS A 70 8.360 5.739 -0.903 1.00 0.00 C ATOM 1063 CE LYS A 70 9.825 5.958 -1.273 1.00 0.00 C ATOM 1064 NZ LYS A 70 10.256 5.101 -2.389 1.00 0.00 N ATOM 0 H LYS A 70 5.473 3.516 0.260 1.00 0.00 H new ATOM 0 HA LYS A 70 5.990 5.286 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.225 5.365 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.733 3.684 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.946 3.808 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.284 3.887 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.765 5.767 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.032 6.573 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.977 7.003 -1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.450 5.759 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.257 5.286 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.138 4.102 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.679 5.308 -3.229 1.00 0.00 H new ATOM 1078 N CYS A 71 5.109 6.349 -0.363 1.00 0.00 N ATOM 1079 CA CYS A 71 4.921 7.472 -1.299 1.00 0.00 C ATOM 1080 C CYS A 71 6.225 8.210 -1.667 1.00 0.00 C ATOM 1081 O CYS A 71 6.717 9.008 -0.867 1.00 0.00 O ATOM 1082 CB CYS A 71 3.914 8.504 -0.794 1.00 0.00 C ATOM 1083 SG CYS A 71 2.292 7.778 -0.507 1.00 0.00 S ATOM 0 H CYS A 71 4.690 5.489 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 71 4.534 6.988 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.282 8.947 0.131 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.826 9.311 -1.521 1.00 0.00 H new ATOM 0 HG CYS A 71 1.476 8.695 -0.078 1.00 0.00 H new ATOM 1089 N PRO A 72 6.809 8.002 -2.865 1.00 0.00 N ATOM 1090 CA PRO A 72 8.016 8.714 -3.270 1.00 0.00 C ATOM 1091 C PRO A 72 7.778 10.226 -3.339 1.00 0.00 C ATOM 1092 O PRO A 72 6.630 10.671 -3.437 1.00 0.00 O ATOM 1093 CB PRO A 72 8.401 8.158 -4.645 1.00 0.00 C ATOM 1094 CG PRO A 72 7.106 7.561 -5.178 1.00 0.00 C ATOM 1095 CD PRO A 72 6.392 7.096 -3.914 1.00 0.00 C ATOM 0 HA PRO A 72 8.815 8.566 -2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.778 8.942 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.185 7.405 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.518 8.298 -5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.295 6.733 -5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.310 7.122 -4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.659 6.068 -3.671 1.00 0.00 H new ATOM 1103 N PRO A 73 8.851 11.030 -3.418 1.00 0.00 N ATOM 1104 CA PRO A 73 8.750 12.487 -3.422 1.00 0.00 C ATOM 1105 C PRO A 73 8.097 13.055 -4.694 1.00 0.00 C ATOM 1106 O PRO A 73 7.978 14.270 -4.828 1.00 0.00 O ATOM 1107 CB PRO A 73 10.183 12.982 -3.206 1.00 0.00 C ATOM 1108 CG PRO A 73 11.043 11.876 -3.802 1.00 0.00 C ATOM 1109 CD PRO A 73 10.248 10.614 -3.495 1.00 0.00 C ATOM 0 HA PRO A 73 8.082 12.838 -2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.356 13.936 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.400 13.131 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.186 12.011 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.034 11.848 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.390 9.864 -4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.574 10.165 -2.557 1.00 0.00 H new ATOM 1117 N THR A 74 7.662 12.195 -5.623 1.00 0.00 N ATOM 1118 CA THR A 74 6.922 12.572 -6.814 1.00 0.00 C ATOM 1119 C THR A 74 5.558 11.879 -6.901 1.00 0.00 C ATOM 1120 O THR A 74 4.850 12.097 -7.877 1.00 0.00 O ATOM 1121 CB THR A 74 7.783 12.343 -8.068 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.057 10.973 -8.262 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.139 13.044 -7.978 1.00 0.00 C ATOM 0 H THR A 74 7.825 11.190 -5.557 1.00 0.00 H new ATOM 0 HA THR A 74 6.700 13.637 -6.750 1.00 0.00 H new ATOM 0 HB THR A 74 7.199 12.751 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.604 10.860 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.709 12.852 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.987 14.117 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.689 12.663 -7.118 1.00 0.00 H new ATOM 1131 N TYR A 75 5.155 11.033 -5.942 1.00 0.00 N ATOM 1132 CA TYR A 75 3.838 10.395 -6.005 1.00 0.00 C ATOM 1133 C TYR A 75 2.763 11.488 -6.035 1.00 0.00 C ATOM 1134 O TYR A 75 2.865 12.405 -5.210 1.00 0.00 O ATOM 1135 CB TYR A 75 3.650 9.453 -4.807 1.00 0.00 C ATOM 1136 CG TYR A 75 2.221 9.006 -4.551 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.342 9.871 -3.874 1.00 0.00 C ATOM 1138 CD2 TYR A 75 1.755 7.753 -4.997 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.003 9.514 -3.672 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.411 7.389 -4.793 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.472 8.266 -4.124 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.767 7.911 -3.901 1.00 0.00 O ATOM 0 H TYR A 75 5.714 10.779 -5.127 1.00 0.00 H new ATOM 0 HA TYR A 75 3.753 9.793 -6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.268 8.568 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.023 9.951 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.704 10.820 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.429 7.072 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.667 10.196 -3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.053 6.435 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.070 7.312 -4.615 1.00 0.00 H new ATOM 1152 N PRO A 76 1.721 11.388 -6.887 1.00 0.00 N ATOM 1153 CA PRO A 76 1.357 10.239 -7.734 1.00 0.00 C ATOM 1154 C PRO A 76 1.978 10.202 -9.149 1.00 0.00 C ATOM 1155 O PRO A 76 1.662 9.295 -9.924 1.00 0.00 O ATOM 1156 CB PRO A 76 -0.168 10.326 -7.835 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.412 11.829 -7.843 1.00 0.00 C ATOM 1158 CD PRO A 76 0.615 12.335 -6.839 1.00 0.00 C ATOM 0 HA PRO A 76 1.746 9.328 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.543 9.849 -8.741 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.659 9.840 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.259 12.260 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.430 12.076 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.950 13.340 -7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.189 12.387 -5.837 1.00 0.00 H new ATOM 1166 N ASP A 77 2.849 11.148 -9.516 1.00 0.00 N ATOM 1167 CA ASP A 77 3.500 11.215 -10.837 1.00 0.00 C ATOM 1168 C ASP A 77 4.451 10.049 -11.104 1.00 0.00 C ATOM 1169 O ASP A 77 4.816 9.780 -12.250 1.00 0.00 O ATOM 1170 CB ASP A 77 4.266 12.531 -10.987 1.00 0.00 C ATOM 1171 CG ASP A 77 4.939 12.689 -12.347 1.00 0.00 C ATOM 1172 OD1 ASP A 77 4.254 12.615 -13.392 1.00 0.00 O ATOM 1173 OD2 ASP A 77 6.156 12.984 -12.388 1.00 0.00 O ATOM 0 H ASP A 77 3.130 11.906 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 77 2.697 11.154 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.579 13.363 -10.831 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.024 12.593 -10.206 1.00 0.00 H new ATOM 1178 N VAL A 78 4.814 9.300 -10.068 1.00 0.00 N ATOM 1179 CA VAL A 78 5.197 7.912 -10.234 1.00 0.00 C ATOM 1180 C VAL A 78 4.573 7.115 -9.109 1.00 0.00 C ATOM 1181 O VAL A 78 3.997 7.636 -8.147 1.00 0.00 O ATOM 1182 CB VAL A 78 6.723 7.757 -10.366 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.463 7.887 -9.031 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.173 6.477 -11.084 1.00 0.00 C ATOM 0 H VAL A 78 4.849 9.636 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 78 4.815 7.511 -11.172 1.00 0.00 H new ATOM 0 HB VAL A 78 7.002 8.598 -11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.534 7.768 -9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.269 8.870 -8.602 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.113 7.116 -8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.262 6.450 -11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.813 5.606 -10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.765 6.464 -12.095 1.00 0.00 H new ATOM 1194 N VAL A 79 4.698 5.822 -9.302 1.00 0.00 N ATOM 1195 CA VAL A 79 4.108 4.794 -8.479 1.00 0.00 C ATOM 1196 C VAL A 79 4.774 4.753 -7.099 1.00 0.00 C ATOM 1197 O VAL A 79 5.986 4.966 -6.981 1.00 0.00 O ATOM 1198 CB VAL A 79 4.197 3.457 -9.227 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.222 3.502 -10.408 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.584 3.138 -9.800 1.00 0.00 C ATOM 0 H VAL A 79 5.241 5.441 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 79 3.056 5.011 -8.295 1.00 0.00 H new ATOM 0 HB VAL A 79 3.963 2.684 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.269 2.560 -10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.209 3.656 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.494 4.321 -11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.554 2.176 -10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.873 3.916 -10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.312 3.096 -8.989 1.00 0.00 H new ATOM 1210 N PRO A 80 4.002 4.495 -6.034 1.00 0.00 N ATOM 1211 CA PRO A 80 4.573 4.135 -4.756 1.00 0.00 C ATOM 1212 C PRO A 80 5.211 2.751 -4.846 1.00 0.00 C ATOM 1213 O PRO A 80 4.736 1.888 -5.582 1.00 0.00 O ATOM 1214 CB PRO A 80 3.419 4.175 -3.757 1.00 0.00 C ATOM 1215 CG PRO A 80 2.145 4.069 -4.594 1.00 0.00 C ATOM 1216 CD PRO A 80 2.566 4.295 -6.039 1.00 0.00 C ATOM 0 HA PRO A 80 5.364 4.817 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.489 3.353 -3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.433 5.099 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.680 3.091 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.411 4.812 -4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.298 3.439 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.057 5.163 -6.458 1.00 0.00 H new ATOM 1224 N GLU A 81 6.257 2.531 -4.046 1.00 0.00 N ATOM 1225 CA GLU A 81 6.677 1.177 -3.735 1.00 0.00 C ATOM 1226 C GLU A 81 5.586 0.518 -2.899 1.00 0.00 C ATOM 1227 O GLU A 81 4.864 1.181 -2.148 1.00 0.00 O ATOM 1228 CB GLU A 81 8.021 1.171 -2.985 1.00 0.00 C ATOM 1229 CG GLU A 81 9.129 0.720 -3.936 1.00 0.00 C ATOM 1230 CD GLU A 81 10.492 0.665 -3.263 1.00 0.00 C ATOM 1231 OE1 GLU A 81 10.871 -0.382 -2.690 1.00 0.00 O ATOM 1232 OE2 GLU A 81 11.280 1.625 -3.421 1.00 0.00 O ATOM 0 H GLU A 81 6.816 3.265 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 81 6.825 0.618 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.240 2.167 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.968 0.502 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.884 -0.265 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.174 1.403 -4.785 1.00 0.00 H new ATOM 1239 N ILE A 82 5.517 -0.804 -2.982 1.00 0.00 N ATOM 1240 CA ILE A 82 4.492 -1.623 -2.367 1.00 0.00 C ATOM 1241 C ILE A 82 5.239 -2.780 -1.720 1.00 0.00 C ATOM 1242 O ILE A 82 5.957 -3.515 -2.403 1.00 0.00 O ATOM 1243 CB ILE A 82 3.503 -2.095 -3.456 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.653 -0.939 -4.036 1.00 0.00 C ATOM 1245 CG2 ILE A 82 2.574 -3.202 -2.935 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.290 -1.180 -5.506 1.00 0.00 C ATOM 0 H ILE A 82 6.203 -1.353 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 82 3.901 -1.092 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 82 4.121 -2.494 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.741 -0.829 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.204 -0.003 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.893 -3.509 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.170 -4.058 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.999 -2.826 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.693 -0.346 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.202 -1.263 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.716 -2.103 -5.593 1.00 0.00 H new ATOM 1258 N ASP A 83 5.056 -2.953 -0.416 1.00 0.00 N ATOM 1259 CA ASP A 83 5.564 -4.109 0.308 1.00 0.00 C ATOM 1260 C ASP A 83 4.439 -4.684 1.138 1.00 0.00 C ATOM 1261 O ASP A 83 3.739 -3.944 1.826 1.00 0.00 O ATOM 1262 CB ASP A 83 6.788 -3.796 1.164 1.00 0.00 C ATOM 1263 CG ASP A 83 8.054 -3.723 0.321 1.00 0.00 C ATOM 1264 OD1 ASP A 83 8.360 -4.712 -0.382 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.790 -2.713 0.455 1.00 0.00 O ATOM 0 H ASP A 83 4.548 -2.291 0.171 1.00 0.00 H new ATOM 0 HA ASP A 83 5.910 -4.844 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.639 -2.848 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.903 -4.563 1.930 1.00 0.00 H new ATOM 1270 N LEU A 84 4.249 -6.002 1.051 1.00 0.00 N ATOM 1271 CA LEU A 84 3.190 -6.721 1.745 1.00 0.00 C ATOM 1272 C LEU A 84 3.878 -7.608 2.769 1.00 0.00 C ATOM 1273 O LEU A 84 4.657 -8.498 2.414 1.00 0.00 O ATOM 1274 CB LEU A 84 2.269 -7.502 0.789 1.00 0.00 C ATOM 1275 CG LEU A 84 1.134 -6.696 0.130 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.520 -5.292 -0.325 1.00 0.00 C ATOM 1277 CD2 LEU A 84 0.625 -7.473 -1.086 1.00 0.00 C ATOM 0 H LEU A 84 4.842 -6.608 0.483 1.00 0.00 H new ATOM 0 HA LEU A 84 2.512 -6.025 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.883 -7.937 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.825 -8.331 1.341 1.00 0.00 H new ATOM 0 HG LEU A 84 0.373 -6.568 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.655 -4.805 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.857 -4.711 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.324 -5.355 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.180 -6.914 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.440 -7.613 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.251 -8.446 -0.766 1.00 0.00 H new ATOM 1289 N LYS A 85 3.680 -7.287 4.043 1.00 0.00 N ATOM 1290 CA LYS A 85 4.419 -7.882 5.159 1.00 0.00 C ATOM 1291 C LYS A 85 3.477 -8.649 6.069 1.00 0.00 C ATOM 1292 O LYS A 85 2.269 -8.419 6.047 1.00 0.00 O ATOM 1293 CB LYS A 85 5.159 -6.787 5.954 1.00 0.00 C ATOM 1294 CG LYS A 85 6.276 -6.080 5.166 1.00 0.00 C ATOM 1295 CD LYS A 85 7.501 -6.976 4.929 1.00 0.00 C ATOM 1296 CE LYS A 85 8.498 -6.268 4.008 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.759 -7.022 3.873 1.00 0.00 N ATOM 0 H LYS A 85 2.991 -6.595 4.338 1.00 0.00 H new ATOM 0 HA LYS A 85 5.155 -8.578 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.435 -6.042 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.589 -7.233 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.882 -5.750 4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.586 -5.186 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.977 -7.213 5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.190 -7.921 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.049 -6.133 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.711 -5.274 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.405 -6.507 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.201 -7.129 4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.561 -7.962 3.474 1.00 0.00 H new ATOM 1311 N ASN A 86 4.051 -9.496 6.925 1.00 0.00 N ATOM 1312 CA ASN A 86 3.342 -10.220 7.977 1.00 0.00 C ATOM 1313 C ASN A 86 2.097 -10.933 7.441 1.00 0.00 C ATOM 1314 O ASN A 86 1.030 -10.850 8.048 1.00 0.00 O ATOM 1315 CB ASN A 86 3.038 -9.269 9.154 1.00 0.00 C ATOM 1316 CG ASN A 86 4.314 -8.778 9.815 1.00 0.00 C ATOM 1317 OD1 ASN A 86 5.253 -9.546 10.011 1.00 0.00 O ATOM 1318 ND2 ASN A 86 4.425 -7.510 10.152 1.00 0.00 N ATOM 0 H ASN A 86 5.050 -9.702 6.904 1.00 0.00 H new ATOM 0 HA ASN A 86 3.986 -11.014 8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.461 -8.416 8.795 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.421 -9.784 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.288 -7.168 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.648 -6.870 9.991 1.00 0.00 H new ATOM 1325 N ALA A 87 2.207 -11.574 6.270 1.00 0.00 N ATOM 1326 CA ALA A 87 1.053 -12.194 5.636 1.00 0.00 C ATOM 1327 C ALA A 87 0.579 -13.387 6.449 1.00 0.00 C ATOM 1328 O ALA A 87 1.379 -14.193 6.934 1.00 0.00 O ATOM 1329 CB ALA A 87 1.359 -12.615 4.195 1.00 0.00 C ATOM 0 H ALA A 87 3.080 -11.673 5.751 1.00 0.00 H new ATOM 0 HA ALA A 87 0.256 -11.452 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.474 -13.074 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.642 -11.738 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.179 -13.333 4.192 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.736 -13.539 6.531 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.392 -14.636 7.213 1.00 0.00 C ATOM 1337 C LYS A 88 -2.158 -15.419 6.167 1.00 0.00 C ATOM 1338 O LYS A 88 -2.521 -14.869 5.121 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.271 -14.049 8.311 1.00 0.00 C ATOM 1340 CG LYS A 88 -1.393 -13.481 9.420 1.00 0.00 C ATOM 1341 CD LYS A 88 -2.220 -13.137 10.647 1.00 0.00 C ATOM 1342 CE LYS A 88 -1.312 -12.315 11.550 1.00 0.00 C ATOM 1343 NZ LYS A 88 -1.949 -12.027 12.849 1.00 0.00 N ATOM 0 H LYS A 88 -1.391 -12.880 6.111 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.699 -15.324 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.908 -13.266 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.930 -14.818 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.624 -14.206 9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.880 -12.589 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.110 -12.572 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.560 -14.040 11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.378 -12.853 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.057 -11.378 11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.300 -11.465 13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.827 -11.492 12.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.169 -12.921 13.333 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.329 -16.714 6.401 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.629 -17.690 5.369 1.00 0.00 C ATOM 1359 C GLY A 89 -1.439 -17.863 4.423 1.00 0.00 C ATOM 1360 O GLY A 89 -0.891 -18.954 4.320 1.00 0.00 O ATOM 0 H GLY A 89 -2.261 -17.120 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.877 -18.647 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.505 -17.371 4.804 1.00 0.00 H new ATOM 1364 N LEU A 90 -1.022 -16.799 3.735 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.109 -16.868 2.597 1.00 0.00 C ATOM 1366 C LEU A 90 1.360 -17.011 2.999 1.00 0.00 C ATOM 1367 O LEU A 90 2.143 -17.463 2.172 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.267 -15.604 1.729 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.718 -15.321 1.295 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -1.791 -13.932 0.655 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.223 -16.433 0.369 1.00 0.00 C ATOM 0 H LEU A 90 -1.316 -15.848 3.959 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.379 -17.766 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.110 -14.745 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.354 -15.706 0.839 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.379 -15.319 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.816 -13.727 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.473 -13.181 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.136 -13.898 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.249 -16.220 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.590 -16.484 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.189 -17.387 0.894 1.00 0.00 H new ATOM 1383 N SER A 91 1.750 -16.599 4.212 1.00 0.00 N ATOM 1384 CA SER A 91 3.133 -16.471 4.686 1.00 0.00 C ATOM 1385 C SER A 91 3.992 -15.589 3.748 1.00 0.00 C ATOM 1386 O SER A 91 4.186 -14.408 4.040 1.00 0.00 O ATOM 1387 CB SER A 91 3.708 -17.864 5.007 1.00 0.00 C ATOM 1388 OG SER A 91 4.460 -17.885 6.207 1.00 0.00 O ATOM 0 H SER A 91 1.073 -16.332 4.927 1.00 0.00 H new ATOM 0 HA SER A 91 3.152 -15.921 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.890 -18.581 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.341 -18.190 4.181 1.00 0.00 H new ATOM 0 HG SER A 91 4.800 -18.791 6.364 1.00 0.00 H new ATOM 1394 N ASN A 92 4.479 -16.097 2.608 1.00 0.00 N ATOM 1395 CA ASN A 92 5.065 -15.295 1.526 1.00 0.00 C ATOM 1396 C ASN A 92 4.703 -15.810 0.133 1.00 0.00 C ATOM 1397 O ASN A 92 5.208 -15.268 -0.848 1.00 0.00 O ATOM 1398 CB ASN A 92 6.593 -15.162 1.693 1.00 0.00 C ATOM 1399 CG ASN A 92 6.956 -13.860 2.384 1.00 0.00 C ATOM 1400 OD1 ASN A 92 7.343 -13.856 3.550 1.00 0.00 O ATOM 1401 ND2 ASN A 92 6.860 -12.736 1.695 1.00 0.00 N ATOM 0 H ASN A 92 4.476 -17.097 2.408 1.00 0.00 H new ATOM 0 HA ASN A 92 4.623 -14.302 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.973 -16.003 2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.074 -15.205 0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.109 -11.848 2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.537 -12.757 0.728 1.00 0.00 H new ATOM 1408 N GLU A 93 3.835 -16.814 0.017 1.00 0.00 N ATOM 1409 CA GLU A 93 3.534 -17.515 -1.219 1.00 0.00 C ATOM 1410 C GLU A 93 2.839 -16.589 -2.228 1.00 0.00 C ATOM 1411 O GLU A 93 3.516 -15.964 -3.053 1.00 0.00 O ATOM 1412 CB GLU A 93 2.728 -18.777 -0.873 1.00 0.00 C ATOM 1413 CG GLU A 93 2.608 -19.744 -2.053 1.00 0.00 C ATOM 1414 CD GLU A 93 1.463 -20.724 -1.807 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.622 -21.625 -0.948 1.00 0.00 O ATOM 1416 OE2 GLU A 93 0.395 -20.510 -2.427 1.00 0.00 O ATOM 0 H GLU A 93 3.306 -17.170 0.813 1.00 0.00 H new ATOM 0 HA GLU A 93 4.451 -17.830 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.204 -19.289 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.730 -18.487 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.431 -19.188 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.543 -20.289 -2.185 1.00 0.00 H new ATOM 1423 N SER A 94 1.507 -16.441 -2.158 1.00 0.00 N ATOM 1424 CA SER A 94 0.775 -15.633 -3.138 1.00 0.00 C ATOM 1425 C SER A 94 1.008 -14.133 -2.976 1.00 0.00 C ATOM 1426 O SER A 94 0.604 -13.322 -3.806 1.00 0.00 O ATOM 1427 CB SER A 94 -0.701 -15.996 -3.200 1.00 0.00 C ATOM 1428 OG SER A 94 -1.511 -15.263 -2.318 1.00 0.00 O ATOM 0 H SER A 94 0.922 -16.867 -1.439 1.00 0.00 H new ATOM 0 HA SER A 94 1.197 -15.888 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.059 -15.842 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.812 -17.058 -2.980 1.00 0.00 H new ATOM 0 HG SER A 94 -1.988 -14.566 -2.815 1.00 0.00 H new ATOM 1434 N VAL A 95 1.716 -13.763 -1.918 1.00 0.00 N ATOM 1435 CA VAL A 95 2.231 -12.422 -1.703 1.00 0.00 C ATOM 1436 C VAL A 95 3.048 -12.001 -2.917 1.00 0.00 C ATOM 1437 O VAL A 95 2.914 -10.867 -3.358 1.00 0.00 O ATOM 1438 CB VAL A 95 3.075 -12.394 -0.415 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.376 -10.963 0.049 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.375 -13.208 0.682 1.00 0.00 C ATOM 0 H VAL A 95 1.954 -14.408 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 95 1.410 -11.715 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 95 4.040 -12.853 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.973 -10.994 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.929 -10.437 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.440 -10.440 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.976 -13.185 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.394 -12.778 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.257 -14.240 0.350 1.00 0.00 H new ATOM 1450 N ASN A 96 3.839 -12.913 -3.495 1.00 0.00 N ATOM 1451 CA ASN A 96 4.607 -12.627 -4.700 1.00 0.00 C ATOM 1452 C ASN A 96 3.702 -12.209 -5.842 1.00 0.00 C ATOM 1453 O ASN A 96 4.075 -11.319 -6.603 1.00 0.00 O ATOM 1454 CB ASN A 96 5.396 -13.856 -5.156 1.00 0.00 C ATOM 1455 CG ASN A 96 6.462 -14.232 -4.158 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.366 -13.447 -3.874 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.364 -15.408 -3.562 1.00 0.00 N ATOM 0 H ASN A 96 3.960 -13.861 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 96 5.289 -11.815 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.715 -14.695 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.857 -13.655 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.045 -15.679 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.607 -16.045 -3.811 1.00 0.00 H new ATOM 1464 N LEU A 97 2.536 -12.851 -5.970 1.00 0.00 N ATOM 1465 CA LEU A 97 1.613 -12.536 -7.035 1.00 0.00 C ATOM 1466 C LEU A 97 1.063 -11.151 -6.780 1.00 0.00 C ATOM 1467 O LEU A 97 1.254 -10.251 -7.590 1.00 0.00 O ATOM 1468 CB LEU A 97 0.520 -13.599 -7.049 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.510 -13.421 -8.166 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -1.231 -14.768 -8.212 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.560 -12.356 -7.850 1.00 0.00 C ATOM 0 H LEU A 97 2.220 -13.591 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 97 2.094 -12.537 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.984 -14.580 -7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.004 -13.587 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.016 -13.115 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.996 -14.745 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.513 -15.558 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.698 -14.964 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.261 -12.278 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.100 -12.635 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.069 -11.395 -7.698 1.00 0.00 H new ATOM 1483 N LEU A 98 0.386 -10.980 -5.644 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.354 -9.765 -5.366 1.00 0.00 C ATOM 1485 C LEU A 98 0.580 -8.566 -5.390 1.00 0.00 C ATOM 1486 O LEU A 98 0.230 -7.530 -5.935 1.00 0.00 O ATOM 1487 CB LEU A 98 -1.035 -9.901 -4.003 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.815 -8.639 -3.599 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.923 -8.225 -4.570 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.434 -8.898 -2.230 1.00 0.00 C ATOM 0 H LEU A 98 0.340 -11.678 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.115 -9.610 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.716 -10.752 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.282 -10.115 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.102 -7.815 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.415 -7.326 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.491 -8.024 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.653 -9.030 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.996 -8.020 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.104 -9.756 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.645 -9.104 -1.507 1.00 0.00 H new ATOM 1502 N LYS A 99 1.787 -8.685 -4.835 1.00 0.00 N ATOM 1503 CA LYS A 99 2.734 -7.582 -4.847 1.00 0.00 C ATOM 1504 C LYS A 99 3.057 -7.177 -6.281 1.00 0.00 C ATOM 1505 O LYS A 99 2.989 -5.990 -6.590 1.00 0.00 O ATOM 1506 CB LYS A 99 3.978 -7.955 -4.038 1.00 0.00 C ATOM 1507 CG LYS A 99 4.560 -6.714 -3.371 1.00 0.00 C ATOM 1508 CD LYS A 99 5.659 -7.104 -2.377 1.00 0.00 C ATOM 1509 CE LYS A 99 7.019 -6.881 -3.021 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.115 -6.899 -2.034 1.00 0.00 N ATOM 0 H LYS A 99 2.125 -9.530 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 99 2.291 -6.708 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.721 -8.697 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.723 -8.410 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.967 -6.044 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.771 -6.168 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.572 -6.509 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.548 -8.148 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.195 -7.653 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.019 -5.924 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.002 -7.167 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.218 -5.954 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.898 -7.589 -1.287 1.00 0.00 H new ATOM 1524 N SER A 100 3.328 -8.147 -7.156 1.00 0.00 N ATOM 1525 CA SER A 100 3.562 -7.897 -8.568 1.00 0.00 C ATOM 1526 C SER A 100 2.352 -7.230 -9.228 1.00 0.00 C ATOM 1527 O SER A 100 2.492 -6.306 -10.030 1.00 0.00 O ATOM 1528 CB SER A 100 3.906 -9.227 -9.253 1.00 0.00 C ATOM 1529 OG SER A 100 4.660 -8.963 -10.419 1.00 0.00 O ATOM 0 H SER A 100 3.390 -9.132 -6.897 1.00 0.00 H new ATOM 0 HA SER A 100 4.397 -7.205 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.473 -9.864 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.994 -9.766 -9.509 1.00 0.00 H new ATOM 0 HG SER A 100 4.885 -9.808 -10.861 1.00 0.00 H new ATOM 1535 N HIS A 101 1.146 -7.687 -8.903 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.069 -7.177 -9.508 1.00 0.00 C ATOM 1537 C HIS A 101 -0.318 -5.736 -9.064 1.00 0.00 C ATOM 1538 O HIS A 101 -0.706 -4.902 -9.879 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.236 -8.106 -9.131 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.331 -9.337 -9.996 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -2.472 -9.830 -10.592 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -0.301 -10.173 -10.327 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -2.128 -10.931 -11.279 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -0.808 -11.162 -11.170 1.00 0.00 N ATOM 0 H HIS A 101 0.989 -8.421 -8.212 1.00 0.00 H new ATOM 0 HA HIS A 101 0.026 -7.163 -10.594 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.125 -8.411 -8.090 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.170 -7.549 -9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.723 -10.084 -9.995 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.816 -11.545 -11.841 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -0.281 -11.913 -11.616 1.00 0.00 H new ATOM 1552 N LEU A 102 -0.028 -5.406 -7.809 1.00 0.00 N ATOM 1553 CA LEU A 102 -0.130 -4.051 -7.292 1.00 0.00 C ATOM 1554 C LEU A 102 0.943 -3.167 -7.907 1.00 0.00 C ATOM 1555 O LEU A 102 0.637 -2.032 -8.263 1.00 0.00 O ATOM 1556 CB LEU A 102 -0.094 -4.074 -5.764 1.00 0.00 C ATOM 1557 CG LEU A 102 -1.301 -4.827 -5.184 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -1.121 -5.021 -3.682 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.629 -4.113 -5.436 1.00 0.00 C ATOM 0 H LEU A 102 0.289 -6.084 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.086 -3.614 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.828 -4.548 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.084 -3.053 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.341 -5.788 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.981 -5.556 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.215 -5.598 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.038 -4.048 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.443 -4.694 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.604 -3.125 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.789 -4.010 -6.509 1.00 0.00 H new ATOM 1571 N GLU A 103 2.166 -3.672 -8.084 1.00 0.00 N ATOM 1572 CA GLU A 103 3.226 -2.934 -8.765 1.00 0.00 C ATOM 1573 C GLU A 103 2.797 -2.531 -10.180 1.00 0.00 C ATOM 1574 O GLU A 103 3.203 -1.479 -10.676 1.00 0.00 O ATOM 1575 CB GLU A 103 4.504 -3.775 -8.888 1.00 0.00 C ATOM 1576 CG GLU A 103 5.419 -3.825 -7.666 1.00 0.00 C ATOM 1577 CD GLU A 103 6.725 -4.511 -8.073 1.00 0.00 C ATOM 1578 OE1 GLU A 103 7.533 -3.898 -8.814 1.00 0.00 O ATOM 1579 OE2 GLU A 103 6.974 -5.669 -7.678 1.00 0.00 O ATOM 0 H GLU A 103 2.446 -4.598 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 103 3.420 -2.047 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.215 -4.796 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.082 -3.392 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.617 -2.818 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.939 -4.372 -6.854 1.00 0.00 H new ATOM 1586 N GLU A 104 2.038 -3.383 -10.866 1.00 0.00 N ATOM 1587 CA GLU A 104 1.677 -3.189 -12.258 1.00 0.00 C ATOM 1588 C GLU A 104 0.441 -2.309 -12.411 1.00 0.00 C ATOM 1589 O GLU A 104 0.430 -1.327 -13.152 1.00 0.00 O ATOM 1590 CB GLU A 104 1.623 -4.546 -12.941 1.00 0.00 C ATOM 1591 CG GLU A 104 0.342 -5.323 -12.950 1.00 0.00 C ATOM 1592 CD GLU A 104 0.482 -6.671 -13.669 1.00 0.00 C ATOM 1593 OE1 GLU A 104 1.275 -7.536 -13.230 1.00 0.00 O ATOM 1594 OE2 GLU A 104 -0.181 -6.878 -14.710 1.00 0.00 O ATOM 0 H GLU A 104 1.654 -4.237 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 104 2.441 -2.614 -12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.922 -4.400 -13.979 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.382 -5.175 -12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.016 -5.493 -11.924 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.434 -4.733 -13.437 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.564 -2.614 -11.608 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.762 -1.812 -11.357 1.00 0.00 C ATOM 1603 C LEU A 105 -1.384 -0.366 -11.069 1.00 0.00 C ATOM 1604 O LEU A 105 -1.980 0.548 -11.633 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.535 -2.400 -10.171 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.711 -1.530 -9.687 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.803 -1.435 -10.753 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.264 -2.126 -8.394 1.00 0.00 C ATOM 0 H LEU A 105 -0.571 -3.485 -11.076 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.394 -1.833 -12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.916 -3.382 -10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.845 -2.551 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.356 -0.517 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.620 -0.815 -10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.390 -0.989 -11.658 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.179 -2.433 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.098 -1.519 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.609 -3.143 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.480 -2.142 -7.637 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.375 -0.151 -10.228 1.00 0.00 N ATOM 1621 CA ALA A 106 0.117 1.167 -9.898 1.00 0.00 C ATOM 1622 C ALA A 106 0.484 1.941 -11.169 1.00 0.00 C ATOM 1623 O ALA A 106 0.044 3.076 -11.338 1.00 0.00 O ATOM 1624 CB ALA A 106 1.286 0.998 -8.932 1.00 0.00 C ATOM 0 H ALA A 106 0.125 -0.904 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.651 1.765 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.680 1.978 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.944 0.485 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.070 0.410 -9.409 1.00 0.00 H new ATOM 1630 N LYS A 107 1.222 1.338 -12.110 1.00 0.00 N ATOM 1631 CA LYS A 107 1.570 1.993 -13.371 1.00 0.00 C ATOM 1632 C LYS A 107 0.313 2.312 -14.180 1.00 0.00 C ATOM 1633 O LYS A 107 0.254 3.344 -14.849 1.00 0.00 O ATOM 1634 CB LYS A 107 2.527 1.113 -14.207 1.00 0.00 C ATOM 1635 CG LYS A 107 3.996 1.414 -13.904 1.00 0.00 C ATOM 1636 CD LYS A 107 4.565 0.808 -12.618 1.00 0.00 C ATOM 1637 CE LYS A 107 5.327 -0.499 -12.834 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.890 -0.982 -11.557 1.00 0.00 N ATOM 0 H LYS A 107 1.590 0.391 -12.018 1.00 0.00 H new ATOM 0 HA LYS A 107 2.079 2.926 -13.131 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.323 0.062 -14.004 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.335 1.276 -15.268 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.597 1.062 -14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.120 2.496 -13.856 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.231 1.533 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.748 0.629 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.659 -1.252 -13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.128 -0.346 -13.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.516 -1.793 -11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.434 -0.219 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.117 -1.275 -10.926 1.00 0.00 H new ATOM 1652 N LYS A 108 -0.700 1.450 -14.118 1.00 0.00 N ATOM 1653 CA LYS A 108 -1.946 1.593 -14.850 1.00 0.00 C ATOM 1654 C LYS A 108 -2.851 2.620 -14.179 1.00 0.00 C ATOM 1655 O LYS A 108 -3.862 2.981 -14.774 1.00 0.00 O ATOM 1656 CB LYS A 108 -2.630 0.221 -14.927 1.00 0.00 C ATOM 1657 CG LYS A 108 -1.937 -0.744 -15.909 1.00 0.00 C ATOM 1658 CD LYS A 108 -2.083 -2.221 -15.504 1.00 0.00 C ATOM 1659 CE LYS A 108 -3.519 -2.672 -15.215 1.00 0.00 C ATOM 1660 NZ LYS A 108 -4.381 -2.705 -16.413 1.00 0.00 N ATOM 0 H LYS A 108 -0.671 0.611 -13.539 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.742 1.952 -15.859 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.644 -0.228 -13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.668 0.355 -15.230 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.356 -0.603 -16.905 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.878 -0.493 -15.970 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.676 -2.843 -16.301 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.476 -2.401 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.496 -3.665 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.960 -2.001 -14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.336 -3.018 -16.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.433 -1.754 -16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.982 -3.367 -17.109 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.518 3.073 -12.967 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.278 4.046 -12.206 1.00 0.00 C ATOM 1676 C GLN A 109 -2.490 5.343 -11.977 1.00 0.00 C ATOM 1677 O GLN A 109 -3.003 6.267 -11.344 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.765 3.415 -10.892 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.996 2.515 -11.096 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.277 3.340 -10.932 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.959 3.706 -11.888 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.606 3.708 -9.703 1.00 0.00 N ATOM 0 H GLN A 109 -1.680 2.756 -12.479 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.153 4.333 -12.789 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.958 2.829 -10.452 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.009 4.205 -10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.968 2.064 -12.088 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.984 1.698 -10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.040 3.404 -8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.426 4.295 -9.549 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.255 5.447 -12.484 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.467 6.668 -12.403 1.00 0.00 C ATOM 1693 C CYS A 110 -1.239 7.808 -13.076 1.00 0.00 C ATOM 1694 O CYS A 110 -2.062 7.585 -13.969 1.00 0.00 O ATOM 1695 CB CYS A 110 0.927 6.413 -12.996 1.00 0.00 C ATOM 1696 SG CYS A 110 2.027 7.844 -12.781 1.00 0.00 S ATOM 0 H CYS A 110 -0.780 4.681 -12.961 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.305 6.974 -11.369 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.370 5.539 -12.518 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.834 6.183 -14.057 1.00 0.00 H new ATOM 0 HG CYS A 110 1.823 8.377 -11.613 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.994 9.035 -12.628 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.752 10.210 -13.021 1.00 0.00 C ATOM 1704 C GLY A 111 -2.643 10.717 -11.892 1.00 0.00 C ATOM 1705 O GLY A 111 -2.908 11.917 -11.854 1.00 0.00 O ATOM 0 H GLY A 111 -0.245 9.241 -11.967 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.065 11.000 -13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.367 9.972 -13.889 1.00 0.00 H new ATOM 1709 N GLU A 112 -3.051 9.877 -10.928 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.641 10.343 -9.681 1.00 0.00 C ATOM 1711 C GLU A 112 -3.468 9.327 -8.538 1.00 0.00 C ATOM 1712 O GLU A 112 -2.656 8.401 -8.610 1.00 0.00 O ATOM 1713 CB GLU A 112 -5.090 10.819 -9.884 1.00 0.00 C ATOM 1714 CG GLU A 112 -6.163 9.738 -10.063 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.513 10.378 -10.413 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.864 11.419 -9.806 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.186 9.870 -11.340 1.00 0.00 O ATOM 0 H GLU A 112 -2.978 8.862 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.085 11.223 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.368 11.432 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.113 11.467 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.865 9.048 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.256 9.154 -9.147 1.00 0.00 H new ATOM 1724 N VAL A 113 -4.149 9.587 -7.423 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.974 8.976 -6.113 1.00 0.00 C ATOM 1726 C VAL A 113 -4.577 7.561 -6.038 1.00 0.00 C ATOM 1727 O VAL A 113 -5.699 7.330 -5.589 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.504 9.941 -5.036 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.459 11.043 -4.781 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.837 10.608 -5.431 1.00 0.00 C ATOM 0 H VAL A 113 -4.894 10.284 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.912 8.818 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.684 9.349 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.831 11.728 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.529 10.590 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.277 11.592 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.160 11.276 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.700 11.179 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.595 9.841 -5.590 1.00 0.00 H new ATOM 1740 N MET A 114 -3.761 6.607 -6.466 1.00 0.00 N ATOM 1741 CA MET A 114 -4.029 5.204 -6.754 1.00 0.00 C ATOM 1742 C MET A 114 -4.058 4.329 -5.508 1.00 0.00 C ATOM 1743 O MET A 114 -4.476 3.182 -5.618 1.00 0.00 O ATOM 1744 CB MET A 114 -2.906 4.697 -7.673 1.00 0.00 C ATOM 1745 CG MET A 114 -1.528 4.711 -6.990 1.00 0.00 C ATOM 1746 SD MET A 114 -0.138 4.211 -8.025 1.00 0.00 S ATOM 1747 CE MET A 114 -0.014 5.665 -9.092 1.00 0.00 C ATOM 0 H MET A 114 -2.780 6.824 -6.640 1.00 0.00 H new ATOM 0 HA MET A 114 -5.015 5.140 -7.214 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.137 3.682 -7.996 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.869 5.316 -8.570 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.337 5.718 -6.619 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.566 4.053 -6.122 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.813 5.535 -9.789 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.943 5.787 -9.649 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.162 6.551 -8.481 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.575 4.805 -4.350 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.379 3.967 -3.157 1.00 0.00 C ATOM 1759 C ILE A 115 -4.671 3.247 -2.794 1.00 0.00 C ATOM 1760 O ILE A 115 -4.641 2.067 -2.441 1.00 0.00 O ATOM 1761 CB ILE A 115 -2.843 4.815 -1.979 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.359 5.101 -2.261 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -2.983 4.113 -0.613 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -0.742 6.145 -1.326 1.00 0.00 C ATOM 0 H ILE A 115 -3.310 5.780 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.630 3.207 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.433 5.729 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.797 4.171 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.254 5.442 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.589 4.760 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.035 3.905 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.424 3.177 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.306 6.293 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.278 7.088 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.814 5.798 -0.295 1.00 0.00 H new ATOM 1776 N PHE A 116 -5.783 3.961 -2.941 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.094 3.413 -2.614 1.00 0.00 C ATOM 1778 C PHE A 116 -7.407 2.181 -3.472 1.00 0.00 C ATOM 1779 O PHE A 116 -7.948 1.200 -2.960 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.172 4.494 -2.741 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.357 5.349 -1.502 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -9.147 4.865 -0.444 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -7.796 6.637 -1.415 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.391 5.674 0.674 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.071 7.458 -0.307 1.00 0.00 C ATOM 1786 CZ PHE A 116 -8.877 6.980 0.738 1.00 0.00 C ATOM 0 H PHE A 116 -5.802 4.921 -3.285 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.084 3.080 -1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.920 5.143 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.121 4.016 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.565 3.871 -0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.151 6.997 -2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -9.980 5.290 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.662 8.456 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.100 7.612 1.585 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.004 2.189 -4.747 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.166 1.064 -5.657 1.00 0.00 C ATOM 1798 C GLU A 117 -6.351 -0.119 -5.146 1.00 0.00 C ATOM 1799 O GLU A 117 -6.826 -1.249 -5.139 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.680 1.442 -7.070 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.601 0.973 -8.199 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.036 -0.496 -8.129 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -9.000 -0.836 -7.403 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -7.522 -1.317 -8.916 1.00 0.00 O ATOM 0 H GLU A 117 -6.549 2.994 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.222 0.798 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.576 2.525 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.688 1.018 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.494 1.598 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.095 1.139 -9.150 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.120 0.143 -4.695 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.202 -0.904 -4.266 1.00 0.00 C ATOM 1813 C LEU A 118 -4.837 -1.662 -3.104 1.00 0.00 C ATOM 1814 O LEU A 118 -4.929 -2.888 -3.134 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.812 -0.357 -3.874 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.202 0.689 -4.826 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.789 1.060 -4.364 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.167 0.266 -6.295 1.00 0.00 C ATOM 0 H LEU A 118 -4.738 1.086 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.031 -1.576 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.885 0.085 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.121 -1.197 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.866 1.552 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.367 1.800 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.833 1.475 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.161 0.169 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.722 1.062 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.572 -0.641 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.182 0.075 -6.643 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.299 -0.928 -2.089 1.00 0.00 N ATOM 1831 CA ALA A 119 -5.977 -1.506 -0.944 1.00 0.00 C ATOM 1832 C ALA A 119 -7.249 -2.261 -1.344 1.00 0.00 C ATOM 1833 O ALA A 119 -7.459 -3.380 -0.878 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.293 -0.407 0.066 1.00 0.00 C ATOM 0 H ALA A 119 -5.209 0.087 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.310 -2.239 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.803 -0.840 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.366 0.065 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.936 0.340 -0.399 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.092 -1.673 -2.202 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.279 -2.331 -2.748 1.00 0.00 C ATOM 1842 C HIS A 120 -8.908 -3.688 -3.343 1.00 0.00 C ATOM 1843 O HIS A 120 -9.485 -4.719 -2.990 1.00 0.00 O ATOM 1844 CB HIS A 120 -9.929 -1.445 -3.817 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.150 -0.721 -3.336 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.438 -1.182 -3.443 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -11.188 0.512 -2.755 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.250 -0.216 -2.987 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.533 0.839 -2.562 1.00 0.00 N ATOM 0 H HIS A 120 -7.965 -0.718 -2.538 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.993 -2.489 -1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.198 -0.715 -4.166 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.197 -2.062 -4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.337 1.123 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.328 -0.277 -2.965 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -12.899 1.708 -2.174 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.922 -3.685 -4.234 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.494 -4.855 -4.961 1.00 0.00 C ATOM 1859 C HIS A 121 -6.972 -5.929 -4.005 1.00 0.00 C ATOM 1860 O HIS A 121 -7.286 -7.099 -4.197 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.457 -4.437 -6.004 1.00 0.00 C ATOM 1862 CG HIS A 121 -6.298 -5.473 -7.074 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.852 -5.386 -8.328 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -5.568 -6.628 -6.998 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -6.440 -6.453 -9.027 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -5.677 -7.253 -8.252 1.00 0.00 N ATOM 0 H HIS A 121 -7.392 -2.846 -4.470 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.339 -5.302 -5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.756 -3.491 -6.455 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.497 -4.268 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -5.016 -6.988 -6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -6.683 -6.645 -10.062 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -5.259 -8.142 -8.525 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.237 -5.563 -2.947 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.816 -6.501 -1.904 1.00 0.00 C ATOM 1876 C VAL A 122 -7.030 -7.199 -1.296 1.00 0.00 C ATOM 1877 O VAL A 122 -6.997 -8.419 -1.145 1.00 0.00 O ATOM 1878 CB VAL A 122 -5.000 -5.796 -0.802 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.703 -6.722 0.391 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.674 -5.249 -1.328 1.00 0.00 C ATOM 0 H VAL A 122 -5.918 -4.607 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.172 -7.246 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.627 -4.970 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.126 -6.178 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.641 -7.060 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.131 -7.584 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.134 -4.761 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.073 -6.068 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.867 -4.526 -2.121 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.078 -6.464 -0.914 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.261 -7.076 -0.315 1.00 0.00 C ATOM 1892 C GLN A 123 -9.880 -8.077 -1.294 1.00 0.00 C ATOM 1893 O GLN A 123 -10.139 -9.225 -0.927 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.287 -6.009 0.091 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.776 -5.035 1.161 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.944 -4.294 1.799 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -11.886 -4.907 2.288 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -10.954 -2.977 1.795 1.00 0.00 N ATOM 0 H GLN A 123 -8.129 -5.450 -1.009 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.959 -7.606 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.578 -5.443 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.185 -6.504 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.221 -5.580 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -9.084 -4.322 0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.172 -2.462 1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.743 -2.472 2.198 1.00 0.00 H new ATOM 1907 N SER A 124 -10.053 -7.638 -2.542 1.00 0.00 N ATOM 1908 CA SER A 124 -10.661 -8.391 -3.629 1.00 0.00 C ATOM 1909 C SER A 124 -9.812 -9.600 -4.058 1.00 0.00 C ATOM 1910 O SER A 124 -10.333 -10.537 -4.664 1.00 0.00 O ATOM 1911 CB SER A 124 -10.859 -7.410 -4.793 1.00 0.00 C ATOM 1912 OG SER A 124 -11.908 -7.804 -5.653 1.00 0.00 O ATOM 0 H SER A 124 -9.758 -6.705 -2.831 1.00 0.00 H new ATOM 0 HA SER A 124 -11.612 -8.810 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.071 -6.417 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.933 -7.335 -5.363 1.00 0.00 H new ATOM 0 HG SER A 124 -12.000 -7.151 -6.378 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.505 -9.601 -3.783 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.620 -10.721 -3.995 1.00 0.00 C ATOM 1920 C PHE A 125 -7.702 -11.667 -2.807 1.00 0.00 C ATOM 1921 O PHE A 125 -7.699 -12.884 -2.975 1.00 0.00 O ATOM 1922 CB PHE A 125 -6.200 -10.178 -4.089 1.00 0.00 C ATOM 1923 CG PHE A 125 -5.176 -11.279 -4.135 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.884 -11.916 -5.346 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.557 -11.693 -2.947 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.908 -12.923 -5.384 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.548 -12.671 -2.984 1.00 0.00 C ATOM 1928 CZ PHE A 125 -3.208 -13.262 -4.216 1.00 0.00 C ATOM 0 H PHE A 125 -8.029 -8.787 -3.393 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.898 -11.256 -4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -6.107 -9.559 -4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -6.001 -9.534 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.408 -11.634 -6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.855 -11.260 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.696 -13.436 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.039 -12.966 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.403 -13.981 -4.262 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.720 -11.122 -1.588 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.725 -11.944 -0.397 1.00 0.00 C ATOM 1940 C LEU A 126 -8.959 -12.842 -0.395 1.00 0.00 C ATOM 1941 O LEU A 126 -8.844 -14.013 -0.054 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.669 -11.073 0.865 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.271 -10.549 1.215 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.418 -9.481 2.299 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.388 -11.695 1.726 1.00 0.00 C ATOM 0 H LEU A 126 -7.731 -10.118 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.837 -12.576 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.339 -10.223 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.048 -11.652 1.708 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.800 -10.124 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.434 -9.094 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.040 -8.667 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.885 -9.920 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.398 -11.310 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.838 -12.132 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.299 -12.458 0.953 1.00 0.00 H new ATOM 1957 N SER A 127 -10.131 -12.320 -0.762 1.00 0.00 N ATOM 1958 CA SER A 127 -11.362 -13.096 -0.859 1.00 0.00 C ATOM 1959 C SER A 127 -11.237 -14.227 -1.883 1.00 0.00 C ATOM 1960 O SER A 127 -11.686 -15.342 -1.613 1.00 0.00 O ATOM 1961 CB SER A 127 -12.520 -12.158 -1.191 1.00 0.00 C ATOM 1962 OG SER A 127 -12.164 -11.280 -2.234 1.00 0.00 O ATOM 0 H SER A 127 -10.250 -11.336 -1.002 1.00 0.00 H new ATOM 0 HA SER A 127 -11.558 -13.573 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.395 -12.740 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.797 -11.586 -0.305 1.00 0.00 H new ATOM 0 HG SER A 127 -12.918 -10.687 -2.435 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.592 -13.961 -3.019 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.227 -14.894 -4.052 1.00 0.00 C ATOM 1970 C GLU A 128 -9.355 -16.033 -3.516 1.00 0.00 C ATOM 1971 O GLU A 128 -9.600 -17.200 -3.823 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.478 -14.068 -5.114 1.00 0.00 C ATOM 1973 CG GLU A 128 -9.876 -14.442 -6.527 1.00 0.00 C ATOM 1974 CD GLU A 128 -8.681 -14.983 -7.313 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -7.843 -14.149 -7.740 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -8.591 -16.205 -7.566 1.00 0.00 O ATOM 0 H GLU A 128 -10.295 -13.012 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.110 -15.379 -4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.677 -13.009 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.405 -14.213 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.666 -15.193 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.284 -13.569 -7.036 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.350 -15.700 -2.702 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.485 -16.657 -2.021 1.00 0.00 C ATOM 1985 C HIS A 129 -8.157 -17.294 -0.795 1.00 0.00 C ATOM 1986 O HIS A 129 -7.564 -18.178 -0.171 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.144 -15.985 -1.661 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.066 -16.351 -2.648 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.935 -15.872 -3.922 1.00 0.00 N flip ATOM 1990 CD2 HIS A 129 -4.141 -17.357 -2.478 1.00 0.00 C flip ATOM 1991 CE1 HIS A 129 -3.918 -16.616 -4.540 1.00 0.00 C flip ATOM 1992 NE2 HIS A 129 -3.477 -17.510 -3.633 1.00 0.00 N flip ATOM 0 H HIS A 129 -8.112 -14.730 -2.495 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.289 -17.481 -2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.271 -14.903 -1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -5.841 -16.288 -0.659 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -3.979 -17.924 -1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.557 -16.495 -5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -2.746 -18.201 -3.800 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.365 -16.866 -0.427 1.00 0.00 N ATOM 2001 CA ASN A 130 -10.167 -17.436 0.652 1.00 0.00 C ATOM 2002 C ASN A 130 -11.248 -18.345 0.060 1.00 0.00 C ATOM 2003 O ASN A 130 -11.506 -18.338 -1.148 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.773 -16.311 1.519 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.255 -16.790 2.888 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -10.933 -17.891 3.321 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.981 -15.956 3.614 1.00 0.00 N ATOM 0 H ASN A 130 -9.827 -16.084 -0.890 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.535 -18.041 1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -10.027 -15.529 1.658 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.610 -15.862 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -12.282 -16.225 4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -12.239 -15.044 3.237 1.00 0.00 H new