USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 840 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 46 HIS : no HE2:sc= 0.106 K(o=-0.42,f=-1.9) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.53 K(o=-0.42,f=-1.9) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.0464 (180deg=-0.305) USER MOD Single : A 8 GLN : amide:sc= -0.098 K(o=-0.098,f=-0.63) USER MOD Single : A 9 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 15 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.054) USER MOD Single : A 18 GLN : amide:sc=-0.00982 K(o=-0.0098,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0407) USER MOD Single : A 31 SER OG : rot 73:sc= 1.29 USER MOD Single : A 34 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.84) USER MOD Single : A 44 GLN : amide:sc= -2.35! X(o=-2.3!,f=-1.9) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00742 F(o=-1.1,f=-0.0074) USER MOD Single : A 52 ASN : amide:sc= 1.12 K(o=1.1,f=-0.04) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0251 F(o=-1.1,f=-0.025) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0525 (180deg=-0.427) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.102 F(o=-1.1,f=-0.1) USER MOD Single : A 70 GLN : amide:sc= 1.19 K(o=1.2,f=-0.55) USER MOD Single : A 73 GLN : amide:sc= -0.0534 K(o=-0.053,f=-0.58) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= 1.3 (180deg=1.16) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 2.42 (180deg=1.73) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0502 K(o=0.05,f=-2.7!) USER MOD Single : A 96 GLN : amide:sc=-0.00124 K(o=-0.0012,f=-0.95) USER MOD Single : A 99 GLN : amide:sc= 0.993 K(o=0.99,f=-6.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc=-0.000423 (180deg=-0.0496) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 9.887 3.303 12.754 1.00 0.00 N ATOM 65 CA LYS A 5 10.213 2.466 11.604 1.00 0.00 C ATOM 66 C LYS A 5 8.950 2.236 10.783 1.00 0.00 C ATOM 67 O LYS A 5 8.964 2.304 9.555 1.00 0.00 O ATOM 68 CB LYS A 5 10.796 1.115 12.039 1.00 0.00 C ATOM 69 CG LYS A 5 11.991 1.210 12.978 1.00 0.00 C ATOM 70 CD LYS A 5 12.537 -0.175 13.306 1.00 0.00 C ATOM 71 CE LYS A 5 13.556 -0.129 14.437 1.00 0.00 C ATOM 72 NZ LYS A 5 12.940 0.289 15.724 1.00 0.00 N ATOM 0 HA LYS A 5 10.967 2.979 11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.012 0.537 12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.093 0.560 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.773 1.814 12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.697 1.716 13.897 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.714 -0.833 13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.000 -0.603 12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.011 -1.112 14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.356 0.563 14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.573 0.037 16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.788 1.318 15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.027 -0.195 15.845 1.00 0.00 H new ATOM 86 N LEU A 6 7.849 1.991 11.483 1.00 0.00 N ATOM 87 CA LEU A 6 6.558 1.784 10.844 1.00 0.00 C ATOM 88 C LEU A 6 6.031 3.104 10.295 1.00 0.00 C ATOM 89 O LEU A 6 5.417 3.148 9.229 1.00 0.00 O ATOM 90 CB LEU A 6 5.559 1.196 11.845 1.00 0.00 C ATOM 91 CG LEU A 6 5.932 -0.167 12.439 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.938 -0.569 13.514 1.00 0.00 C ATOM 93 CD2 LEU A 6 5.990 -1.227 11.349 1.00 0.00 C ATOM 0 H LEU A 6 7.826 1.931 12.501 1.00 0.00 H new ATOM 0 HA LEU A 6 6.683 1.081 10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.433 1.905 12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.591 1.104 11.352 1.00 0.00 H new ATOM 0 HG LEU A 6 6.919 -0.084 12.893 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.218 -1.539 13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.941 0.176 14.309 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.940 -0.633 13.081 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.256 -2.188 11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.016 -1.306 10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.740 -0.947 10.609 1.00 0.00 H new ATOM 105 N ARG A 7 6.305 4.181 11.025 1.00 0.00 N ATOM 106 CA ARG A 7 5.869 5.519 10.633 1.00 0.00 C ATOM 107 C ARG A 7 6.504 5.924 9.308 1.00 0.00 C ATOM 108 O ARG A 7 5.832 6.450 8.418 1.00 0.00 O ATOM 109 CB ARG A 7 6.243 6.540 11.714 1.00 0.00 C ATOM 110 CG ARG A 7 5.597 6.286 13.069 1.00 0.00 C ATOM 111 CD ARG A 7 4.095 6.513 13.027 1.00 0.00 C ATOM 112 NE ARG A 7 3.763 7.889 12.654 1.00 0.00 N ATOM 113 CZ ARG A 7 2.690 8.553 13.094 1.00 0.00 C ATOM 114 NH1 ARG A 7 1.858 7.991 13.958 1.00 0.00 N ATOM 115 NH2 ARG A 7 2.466 9.791 12.679 1.00 0.00 N ATOM 0 H ARG A 7 6.831 4.153 11.898 1.00 0.00 H new ATOM 0 HA ARG A 7 4.785 5.501 10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.326 6.542 11.836 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.959 7.535 11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.802 5.263 13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.044 6.944 13.814 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.643 5.824 12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.666 6.288 14.003 1.00 0.00 H new ATOM 0 HE ARG A 7 4.393 8.374 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.034 7.044 14.293 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.042 8.505 14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.112 10.235 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.648 10.301 13.013 1.00 0.00 H new ATOM 129 N GLN A 8 7.800 5.677 9.184 1.00 0.00 N ATOM 130 CA GLN A 8 8.521 6.013 7.968 1.00 0.00 C ATOM 131 C GLN A 8 8.114 5.102 6.813 1.00 0.00 C ATOM 132 O GLN A 8 7.945 5.564 5.689 1.00 0.00 O ATOM 133 CB GLN A 8 10.030 5.954 8.191 1.00 0.00 C ATOM 134 CG GLN A 8 10.834 6.353 6.967 1.00 0.00 C ATOM 135 CD GLN A 8 10.495 7.747 6.472 1.00 0.00 C ATOM 136 OE1 GLN A 8 10.157 8.639 7.256 1.00 0.00 O ATOM 137 NE2 GLN A 8 10.562 7.939 5.173 1.00 0.00 N ATOM 0 H GLN A 8 8.372 5.246 9.910 1.00 0.00 H new ATOM 0 HA GLN A 8 8.255 7.036 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.294 6.611 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.307 4.942 8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.897 6.305 7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.652 5.634 6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.846 7.176 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.330 8.851 4.780 1.00 0.00 H new ATOM 146 N THR A 9 7.945 3.814 7.097 1.00 0.00 N ATOM 147 CA THR A 9 7.540 2.864 6.069 1.00 0.00 C ATOM 148 C THR A 9 6.174 3.253 5.502 1.00 0.00 C ATOM 149 O THR A 9 5.941 3.173 4.291 1.00 0.00 O ATOM 150 CB THR A 9 7.491 1.426 6.626 1.00 0.00 C ATOM 151 OG1 THR A 9 8.770 1.089 7.186 1.00 0.00 O ATOM 152 CG2 THR A 9 7.145 0.426 5.530 1.00 0.00 C ATOM 0 H THR A 9 8.081 3.408 8.023 1.00 0.00 H new ATOM 0 HA THR A 9 8.282 2.893 5.271 1.00 0.00 H new ATOM 0 HB THR A 9 6.718 1.380 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.857 1.498 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.117 -0.579 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.170 0.670 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.900 0.470 4.745 1.00 0.00 H new ATOM 160 N GLY A 10 5.285 3.696 6.384 1.00 0.00 N ATOM 161 CA GLY A 10 3.989 4.158 5.953 1.00 0.00 C ATOM 162 C GLY A 10 4.106 5.398 5.095 1.00 0.00 C ATOM 163 O GLY A 10 3.415 5.532 4.087 1.00 0.00 O ATOM 0 H GLY A 10 5.444 3.741 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.488 3.370 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.369 4.372 6.823 1.00 0.00 H new ATOM 167 N ASP A 11 5.008 6.296 5.490 1.00 0.00 N ATOM 168 CA ASP A 11 5.237 7.537 4.754 1.00 0.00 C ATOM 169 C ASP A 11 5.756 7.246 3.356 1.00 0.00 C ATOM 170 O ASP A 11 5.317 7.861 2.387 1.00 0.00 O ATOM 171 CB ASP A 11 6.223 8.440 5.496 1.00 0.00 C ATOM 172 CG ASP A 11 6.380 9.792 4.828 1.00 0.00 C ATOM 173 OD1 ASP A 11 5.469 10.634 4.971 1.00 0.00 O ATOM 174 OD2 ASP A 11 7.409 10.023 4.168 1.00 0.00 O1- ATOM 0 H ASP A 11 5.593 6.186 6.318 1.00 0.00 H new ATOM 0 HA ASP A 11 4.282 8.056 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.882 8.581 6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.194 7.948 5.548 1.00 0.00 H new ATOM 179 N GLU A 12 6.669 6.278 3.256 1.00 0.00 N ATOM 180 CA GLU A 12 7.235 5.885 1.969 1.00 0.00 C ATOM 181 C GLU A 12 6.128 5.415 1.036 1.00 0.00 C ATOM 182 O GLU A 12 6.104 5.763 -0.149 1.00 0.00 O ATOM 183 CB GLU A 12 8.279 4.767 2.149 1.00 0.00 C ATOM 184 CG GLU A 12 9.547 5.201 2.877 1.00 0.00 C ATOM 185 CD GLU A 12 10.522 4.054 3.102 1.00 0.00 C ATOM 186 OE1 GLU A 12 10.665 3.607 4.256 1.00 0.00 O ATOM 187 OE2 GLU A 12 11.157 3.597 2.127 1.00 0.00 O1- ATOM 0 H GLU A 12 7.031 5.753 4.052 1.00 0.00 H new ATOM 0 HA GLU A 12 7.730 6.752 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.822 3.945 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.552 4.380 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.041 5.984 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.277 5.636 3.839 1.00 0.00 H new ATOM 194 N LEU A 13 5.198 4.643 1.586 1.00 0.00 N ATOM 195 CA LEU A 13 4.060 4.159 0.824 1.00 0.00 C ATOM 196 C LEU A 13 3.201 5.326 0.349 1.00 0.00 C ATOM 197 O LEU A 13 2.859 5.415 -0.829 1.00 0.00 O ATOM 198 CB LEU A 13 3.212 3.202 1.673 1.00 0.00 C ATOM 199 CG LEU A 13 3.869 1.872 2.046 1.00 0.00 C ATOM 200 CD1 LEU A 13 2.992 1.100 3.019 1.00 0.00 C ATOM 201 CD2 LEU A 13 4.130 1.041 0.800 1.00 0.00 C ATOM 0 H LEU A 13 5.213 4.340 2.560 1.00 0.00 H new ATOM 0 HA LEU A 13 4.437 3.620 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.931 3.716 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.290 2.989 1.132 1.00 0.00 H new ATOM 0 HG LEU A 13 4.823 2.083 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.474 0.156 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.847 1.689 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.025 0.900 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.598 0.098 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.187 0.840 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.793 1.588 0.130 1.00 0.00 H new ATOM 213 N VAL A 14 2.887 6.235 1.267 1.00 0.00 N ATOM 214 CA VAL A 14 2.045 7.386 0.956 1.00 0.00 C ATOM 215 C VAL A 14 2.651 8.243 -0.156 1.00 0.00 C ATOM 216 O VAL A 14 1.950 8.634 -1.091 1.00 0.00 O ATOM 217 CB VAL A 14 1.789 8.265 2.207 1.00 0.00 C ATOM 218 CG1 VAL A 14 0.960 9.490 1.847 1.00 0.00 C ATOM 219 CG2 VAL A 14 1.092 7.454 3.289 1.00 0.00 C ATOM 0 H VAL A 14 3.204 6.197 2.236 1.00 0.00 H new ATOM 0 HA VAL A 14 1.092 6.986 0.610 1.00 0.00 H new ATOM 0 HB VAL A 14 2.752 8.605 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.793 10.092 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.492 10.084 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.000 9.173 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.919 8.084 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.138 7.087 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.719 6.609 3.571 1.00 0.00 H new ATOM 229 N GLN A 15 3.954 8.499 -0.072 1.00 0.00 N ATOM 230 CA GLN A 15 4.636 9.329 -1.065 1.00 0.00 C ATOM 231 C GLN A 15 4.546 8.696 -2.446 1.00 0.00 C ATOM 232 O GLN A 15 4.265 9.376 -3.438 1.00 0.00 O ATOM 233 CB GLN A 15 6.106 9.533 -0.686 1.00 0.00 C ATOM 234 CG GLN A 15 6.316 10.155 0.685 1.00 0.00 C ATOM 235 CD GLN A 15 5.662 11.513 0.824 1.00 0.00 C ATOM 236 OE1 GLN A 15 4.501 11.619 1.214 1.00 0.00 O ATOM 237 NE2 GLN A 15 6.406 12.558 0.522 1.00 0.00 N ATOM 0 H GLN A 15 4.558 8.146 0.670 1.00 0.00 H new ATOM 0 HA GLN A 15 4.140 10.299 -1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.615 8.569 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.578 10.167 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.916 9.486 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.385 10.251 0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.365 12.426 0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.022 13.499 0.608 1.00 0.00 H new ATOM 246 N ALA A 16 4.766 7.391 -2.504 1.00 0.00 N ATOM 247 CA ALA A 16 4.701 6.661 -3.756 1.00 0.00 C ATOM 248 C ALA A 16 3.279 6.661 -4.311 1.00 0.00 C ATOM 249 O ALA A 16 3.067 6.883 -5.501 1.00 0.00 O ATOM 250 CB ALA A 16 5.202 5.238 -3.566 1.00 0.00 C ATOM 0 H ALA A 16 4.992 6.816 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 16 5.346 7.162 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.147 4.703 -4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.236 5.259 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.583 4.730 -2.827 1.00 0.00 H new ATOM 256 N PHE A 17 2.309 6.430 -3.435 1.00 0.00 N ATOM 257 CA PHE A 17 0.904 6.406 -3.827 1.00 0.00 C ATOM 258 C PHE A 17 0.428 7.762 -4.349 1.00 0.00 C ATOM 259 O PHE A 17 -0.378 7.822 -5.283 1.00 0.00 O ATOM 260 CB PHE A 17 0.011 5.906 -2.690 1.00 0.00 C ATOM 261 CG PHE A 17 0.074 4.413 -2.496 1.00 0.00 C ATOM 262 CD1 PHE A 17 0.422 3.866 -1.275 1.00 0.00 C ATOM 263 CD2 PHE A 17 -0.212 3.559 -3.546 1.00 0.00 C ATOM 264 CE1 PHE A 17 0.481 2.496 -1.105 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.156 2.192 -3.381 1.00 0.00 C ATOM 266 CZ PHE A 17 0.191 1.659 -2.160 1.00 0.00 C ATOM 0 H PHE A 17 2.470 6.256 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 17 0.820 5.698 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.305 6.399 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.020 6.196 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.650 4.517 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.483 3.969 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.754 2.082 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.384 1.538 -4.210 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.236 0.588 -2.030 1.00 0.00 H new ATOM 276 N GLN A 18 0.910 8.845 -3.744 1.00 0.00 N ATOM 277 CA GLN A 18 0.546 10.186 -4.191 1.00 0.00 C ATOM 278 C GLN A 18 0.991 10.402 -5.634 1.00 0.00 C ATOM 279 O GLN A 18 0.231 10.906 -6.462 1.00 0.00 O ATOM 280 CB GLN A 18 1.188 11.240 -3.293 1.00 0.00 C ATOM 281 CG GLN A 18 0.628 11.285 -1.883 1.00 0.00 C ATOM 282 CD GLN A 18 1.424 12.198 -0.974 1.00 0.00 C ATOM 283 OE1 GLN A 18 2.633 12.367 -1.144 1.00 0.00 O ATOM 284 NE2 GLN A 18 0.758 12.795 -0.009 1.00 0.00 N ATOM 0 H GLN A 18 1.549 8.821 -2.949 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.538 10.284 -4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.260 11.051 -3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.060 12.220 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.407 11.624 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.621 10.278 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.243 12.629 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.242 13.424 0.632 1.00 0.00 H new ATOM 293 N ARG A 19 2.214 9.988 -5.936 1.00 0.00 N ATOM 294 CA ARG A 19 2.746 10.103 -7.285 1.00 0.00 C ATOM 295 C ARG A 19 2.036 9.133 -8.220 1.00 0.00 C ATOM 296 O ARG A 19 1.784 9.445 -9.382 1.00 0.00 O ATOM 297 CB ARG A 19 4.254 9.849 -7.298 1.00 0.00 C ATOM 298 CG ARG A 19 5.041 10.818 -6.431 1.00 0.00 C ATOM 299 CD ARG A 19 6.537 10.567 -6.522 1.00 0.00 C ATOM 300 NE ARG A 19 6.894 9.197 -6.144 1.00 0.00 N ATOM 301 CZ ARG A 19 7.511 8.860 -5.008 1.00 0.00 C ATOM 302 NH1 ARG A 19 7.778 9.781 -4.090 1.00 0.00 N ATOM 303 NH2 ARG A 19 7.854 7.597 -4.786 1.00 0.00 N ATOM 0 H ARG A 19 2.856 9.569 -5.263 1.00 0.00 H new ATOM 0 HA ARG A 19 2.568 11.119 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.446 8.831 -6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.617 9.915 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.824 11.841 -6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.719 10.723 -5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.875 10.760 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.061 11.269 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 19 6.655 8.448 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.512 10.753 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.249 9.517 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.647 6.882 -5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.325 7.341 -3.918 1.00 0.00 H new ATOM 317 N LEU A 20 1.688 7.967 -7.683 1.00 0.00 N ATOM 318 CA LEU A 20 1.006 6.923 -8.442 1.00 0.00 C ATOM 319 C LEU A 20 -0.331 7.430 -8.967 1.00 0.00 C ATOM 320 O LEU A 20 -0.724 7.125 -10.092 1.00 0.00 O ATOM 321 CB LEU A 20 0.772 5.693 -7.555 1.00 0.00 C ATOM 322 CG LEU A 20 0.225 4.455 -8.264 1.00 0.00 C ATOM 323 CD1 LEU A 20 1.305 3.806 -9.109 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.343 3.464 -7.260 1.00 0.00 C ATOM 0 H LEU A 20 1.871 7.719 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 20 1.637 6.647 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.716 5.428 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.079 5.969 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.585 4.768 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.898 2.926 -9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.657 4.516 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.137 3.509 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.727 2.591 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.442 3.155 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.152 3.935 -6.702 1.00 0.00 H new ATOM 336 N ARG A 21 -1.016 8.219 -8.144 1.00 0.00 N ATOM 337 CA ARG A 21 -2.313 8.784 -8.507 1.00 0.00 C ATOM 338 C ARG A 21 -2.169 9.622 -9.778 1.00 0.00 C ATOM 339 O ARG A 21 -2.963 9.495 -10.713 1.00 0.00 O ATOM 340 CB ARG A 21 -2.831 9.664 -7.343 1.00 0.00 C ATOM 341 CG ARG A 21 -4.346 9.937 -7.333 1.00 0.00 C ATOM 342 CD ARG A 21 -4.813 10.747 -8.539 1.00 0.00 C ATOM 343 NE ARG A 21 -6.236 11.080 -8.456 1.00 0.00 N ATOM 344 CZ ARG A 21 -7.176 10.644 -9.302 1.00 0.00 C ATOM 345 NH1 ARG A 21 -6.855 9.849 -10.326 1.00 0.00 N ATOM 346 NH2 ARG A 21 -8.437 11.009 -9.127 1.00 0.00 N ATOM 0 H ARG A 21 -0.691 8.483 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.026 7.981 -8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.561 9.185 -6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.309 10.620 -7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.881 8.987 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.607 10.472 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.229 11.665 -8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.625 10.181 -9.451 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.533 11.691 -7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.885 9.568 -10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.580 9.522 -10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.688 11.620 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.157 10.679 -9.769 1.00 0.00 H new ATOM 360 N GLU A 22 -1.138 10.451 -9.809 1.00 0.00 N ATOM 361 CA GLU A 22 -0.885 11.324 -10.944 1.00 0.00 C ATOM 362 C GLU A 22 -0.442 10.534 -12.168 1.00 0.00 C ATOM 363 O GLU A 22 -0.940 10.757 -13.269 1.00 0.00 O ATOM 364 CB GLU A 22 0.161 12.370 -10.590 1.00 0.00 C ATOM 365 CG GLU A 22 -0.278 13.324 -9.496 1.00 0.00 C ATOM 366 CD GLU A 22 0.739 14.405 -9.243 1.00 0.00 C ATOM 367 OE1 GLU A 22 1.058 15.155 -10.192 1.00 0.00 O ATOM 368 OE2 GLU A 22 1.222 14.519 -8.099 1.00 0.00 O1- ATOM 0 H GLU A 22 -0.457 10.538 -9.054 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.821 11.826 -11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.075 11.866 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.405 12.944 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.229 13.779 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.449 12.765 -8.576 1.00 0.00 H new ATOM 375 N ILE A 23 0.478 9.600 -11.965 1.00 0.00 N ATOM 376 CA ILE A 23 0.998 8.779 -13.056 1.00 0.00 C ATOM 377 C ILE A 23 -0.129 7.998 -13.715 1.00 0.00 C ATOM 378 O ILE A 23 -0.228 7.939 -14.949 1.00 0.00 O ATOM 379 CB ILE A 23 2.067 7.789 -12.546 1.00 0.00 C ATOM 380 CG1 ILE A 23 3.247 8.547 -11.939 1.00 0.00 C ATOM 381 CG2 ILE A 23 2.537 6.884 -13.674 1.00 0.00 C ATOM 382 CD1 ILE A 23 4.274 7.648 -11.293 1.00 0.00 C ATOM 0 H ILE A 23 0.882 9.390 -11.052 1.00 0.00 H new ATOM 0 HA ILE A 23 1.455 9.449 -13.784 1.00 0.00 H new ATOM 0 HB ILE A 23 1.621 7.166 -11.771 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.730 9.135 -12.719 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.873 9.250 -11.195 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.290 6.193 -13.296 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.690 6.320 -14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.968 7.490 -14.471 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.082 8.254 -10.884 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.806 7.078 -10.490 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.677 6.962 -12.038 1.00 0.00 H new ATOM 394 N PHE A 24 -0.982 7.417 -12.891 1.00 0.00 N ATOM 395 CA PHE A 24 -2.115 6.666 -13.375 1.00 0.00 C ATOM 396 C PHE A 24 -3.091 7.564 -14.132 1.00 0.00 C ATOM 397 O PHE A 24 -3.555 7.210 -15.214 1.00 0.00 O ATOM 398 CB PHE A 24 -2.838 5.967 -12.217 1.00 0.00 C ATOM 399 CG PHE A 24 -4.239 5.577 -12.560 1.00 0.00 C ATOM 400 CD1 PHE A 24 -4.490 4.485 -13.369 1.00 0.00 C ATOM 401 CD2 PHE A 24 -5.309 6.326 -12.097 1.00 0.00 C ATOM 402 CE1 PHE A 24 -5.778 4.149 -13.710 1.00 0.00 C ATOM 403 CE2 PHE A 24 -6.597 5.992 -12.430 1.00 0.00 C ATOM 404 CZ PHE A 24 -6.834 4.906 -13.238 1.00 0.00 C ATOM 0 H PHE A 24 -0.906 7.455 -11.875 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.738 5.910 -14.064 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.278 5.077 -11.929 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.852 6.629 -11.351 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.667 3.891 -13.736 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.127 7.183 -11.466 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.965 3.296 -14.345 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.423 6.581 -12.058 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.847 4.643 -13.505 1.00 0.00 H new ATOM 414 N ASP A 25 -3.391 8.726 -13.563 1.00 0.00 N ATOM 415 CA ASP A 25 -4.355 9.642 -14.166 1.00 0.00 C ATOM 416 C ASP A 25 -3.873 10.145 -15.522 1.00 0.00 C ATOM 417 O ASP A 25 -4.674 10.368 -16.430 1.00 0.00 O ATOM 418 CB ASP A 25 -4.658 10.814 -13.232 1.00 0.00 C ATOM 419 CG ASP A 25 -5.746 11.721 -13.775 1.00 0.00 C ATOM 420 OD1 ASP A 25 -6.879 11.230 -14.003 1.00 0.00 O ATOM 421 OD2 ASP A 25 -5.484 12.921 -13.961 1.00 0.00 O1- ATOM 0 H ASP A 25 -2.983 9.056 -12.688 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.278 9.085 -14.325 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.962 10.430 -12.258 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.749 11.395 -13.076 1.00 0.00 H new ATOM 426 N LYS A 26 -2.564 10.295 -15.667 1.00 0.00 N ATOM 427 CA LYS A 26 -1.987 10.735 -16.932 1.00 0.00 C ATOM 428 C LYS A 26 -1.933 9.578 -17.931 1.00 0.00 C ATOM 429 O LYS A 26 -1.630 9.772 -19.110 1.00 0.00 O ATOM 430 CB LYS A 26 -0.584 11.328 -16.722 1.00 0.00 C ATOM 431 CG LYS A 26 -0.555 12.550 -15.806 1.00 0.00 C ATOM 432 CD LYS A 26 -1.460 13.660 -16.323 1.00 0.00 C ATOM 433 CE LYS A 26 -1.477 14.857 -15.381 1.00 0.00 C ATOM 434 NZ LYS A 26 -0.162 15.543 -15.313 1.00 0.00 N ATOM 0 H LYS A 26 -1.883 10.120 -14.928 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.628 11.516 -17.340 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.065 10.559 -16.304 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.169 11.604 -17.691 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.869 12.261 -14.803 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.467 12.921 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.120 13.977 -17.309 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.473 13.277 -16.443 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.236 15.565 -15.712 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.763 14.526 -14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.250 16.407 -14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.538 14.909 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.149 15.794 -16.273 1.00 0.00 H new ATOM 448 N GLY A 27 -2.230 8.376 -17.446 1.00 0.00 N ATOM 449 CA GLY A 27 -2.251 7.203 -18.295 1.00 0.00 C ATOM 450 C GLY A 27 -0.871 6.751 -18.709 1.00 0.00 C ATOM 451 O GLY A 27 -0.705 6.122 -19.757 1.00 0.00 O ATOM 0 H GLY A 27 -2.459 8.195 -16.469 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.752 6.390 -17.770 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.840 7.417 -19.187 1.00 0.00 H new ATOM 455 N ASP A 28 0.118 7.054 -17.892 1.00 0.00 N ATOM 456 CA ASP A 28 1.486 6.689 -18.209 1.00 0.00 C ATOM 457 C ASP A 28 1.825 5.335 -17.614 1.00 0.00 C ATOM 458 O ASP A 28 2.249 5.238 -16.462 1.00 0.00 O ATOM 459 CB ASP A 28 2.469 7.748 -17.707 1.00 0.00 C ATOM 460 CG ASP A 28 3.849 7.589 -18.315 1.00 0.00 C ATOM 461 OD1 ASP A 28 4.132 8.260 -19.327 1.00 0.00 O ATOM 462 OD2 ASP A 28 4.655 6.804 -17.787 1.00 0.00 O1- ATOM 0 H ASP A 28 0.002 7.549 -17.008 1.00 0.00 H new ATOM 0 HA ASP A 28 1.575 6.629 -19.294 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.083 8.740 -17.943 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.544 7.685 -16.621 1.00 0.00 H new ATOM 467 N ASP A 29 1.619 4.289 -18.396 1.00 0.00 N ATOM 468 CA ASP A 29 1.890 2.925 -17.946 1.00 0.00 C ATOM 469 C ASP A 29 3.385 2.689 -17.797 1.00 0.00 C ATOM 470 O ASP A 29 3.815 1.859 -16.995 1.00 0.00 O ATOM 471 CB ASP A 29 1.276 1.890 -18.902 1.00 0.00 C ATOM 472 CG ASP A 29 1.862 1.943 -20.297 1.00 0.00 C ATOM 473 OD1 ASP A 29 2.855 1.241 -20.558 1.00 0.00 O ATOM 474 OD2 ASP A 29 1.320 2.689 -21.143 1.00 0.00 O1- ATOM 0 H ASP A 29 1.264 4.354 -19.350 1.00 0.00 H new ATOM 0 HA ASP A 29 1.422 2.802 -16.969 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.425 0.892 -18.490 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.200 2.053 -18.961 1.00 0.00 H new ATOM 479 N ASP A 30 4.173 3.444 -18.556 1.00 0.00 N ATOM 480 CA ASP A 30 5.629 3.326 -18.523 1.00 0.00 C ATOM 481 C ASP A 30 6.163 3.572 -17.115 1.00 0.00 C ATOM 482 O ASP A 30 6.942 2.772 -16.583 1.00 0.00 O ATOM 483 CB ASP A 30 6.256 4.318 -19.515 1.00 0.00 C ATOM 484 CG ASP A 30 7.757 4.462 -19.353 1.00 0.00 C ATOM 485 OD1 ASP A 30 8.496 3.502 -19.665 1.00 0.00 O ATOM 486 OD2 ASP A 30 8.210 5.550 -18.926 1.00 0.00 O1- ATOM 0 H ASP A 30 3.826 4.149 -19.206 1.00 0.00 H new ATOM 0 HA ASP A 30 5.902 2.312 -18.814 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.037 3.991 -20.532 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.789 5.294 -19.386 1.00 0.00 H new ATOM 491 N SER A 31 5.756 4.676 -16.522 1.00 0.00 N ATOM 492 CA SER A 31 6.137 4.993 -15.158 1.00 0.00 C ATOM 493 C SER A 31 5.361 4.122 -14.156 1.00 0.00 C ATOM 494 O SER A 31 5.906 3.691 -13.142 1.00 0.00 O ATOM 495 CB SER A 31 5.886 6.474 -14.870 1.00 0.00 C ATOM 496 OG SER A 31 6.407 7.293 -15.909 1.00 0.00 O ATOM 0 H SER A 31 5.158 5.373 -16.965 1.00 0.00 H new ATOM 0 HA SER A 31 7.201 4.783 -15.044 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.816 6.651 -14.765 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.348 6.747 -13.921 1.00 0.00 H new ATOM 0 HG SER A 31 5.840 7.212 -16.705 1.00 0.00 H new ATOM 502 N LEU A 32 4.103 3.827 -14.492 1.00 0.00 N ATOM 503 CA LEU A 32 3.180 3.124 -13.588 1.00 0.00 C ATOM 504 C LEU A 32 3.688 1.735 -13.199 1.00 0.00 C ATOM 505 O LEU A 32 3.706 1.385 -12.017 1.00 0.00 O ATOM 506 CB LEU A 32 1.810 2.988 -14.267 1.00 0.00 C ATOM 507 CG LEU A 32 0.678 2.407 -13.416 1.00 0.00 C ATOM 508 CD1 LEU A 32 0.246 3.400 -12.355 1.00 0.00 C ATOM 509 CD2 LEU A 32 -0.500 2.014 -14.294 1.00 0.00 C ATOM 0 H LEU A 32 3.693 4.066 -15.395 1.00 0.00 H new ATOM 0 HA LEU A 32 3.103 3.714 -12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.503 3.974 -14.615 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.928 2.361 -15.151 1.00 0.00 H new ATOM 0 HG LEU A 32 1.047 1.512 -12.916 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.559 2.969 -11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.092 3.632 -11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.105 4.314 -12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.296 1.603 -13.673 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.869 2.893 -14.822 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.180 1.264 -15.017 1.00 0.00 H new ATOM 521 N GLU A 33 4.127 0.967 -14.186 1.00 0.00 N ATOM 522 CA GLU A 33 4.600 -0.397 -13.948 1.00 0.00 C ATOM 523 C GLU A 33 5.766 -0.427 -12.968 1.00 0.00 C ATOM 524 O GLU A 33 5.814 -1.265 -12.062 1.00 0.00 O ATOM 525 CB GLU A 33 5.007 -1.058 -15.265 1.00 0.00 C ATOM 526 CG GLU A 33 3.842 -1.318 -16.203 1.00 0.00 C ATOM 527 CD GLU A 33 2.819 -2.256 -15.603 1.00 0.00 C ATOM 528 OE1 GLU A 33 1.899 -1.779 -14.915 1.00 0.00 O ATOM 529 OE2 GLU A 33 2.935 -3.486 -15.814 1.00 0.00 O1- ATOM 0 H GLU A 33 4.167 1.262 -15.162 1.00 0.00 H new ATOM 0 HA GLU A 33 3.776 -0.956 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.734 -0.423 -15.771 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.505 -2.003 -15.048 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.362 -0.372 -16.453 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.217 -1.741 -17.135 1.00 0.00 H new ATOM 536 N GLN A 34 6.696 0.487 -13.149 1.00 0.00 N ATOM 537 CA GLN A 34 7.873 0.550 -12.305 1.00 0.00 C ATOM 538 C GLN A 34 7.527 0.979 -10.885 1.00 0.00 C ATOM 539 O GLN A 34 8.064 0.434 -9.916 1.00 0.00 O ATOM 540 CB GLN A 34 8.917 1.478 -12.916 1.00 0.00 C ATOM 541 CG GLN A 34 9.352 1.045 -14.306 1.00 0.00 C ATOM 542 CD GLN A 34 9.872 -0.383 -14.339 1.00 0.00 C ATOM 543 OE1 GLN A 34 10.461 -0.866 -13.370 1.00 0.00 O ATOM 544 NE2 GLN A 34 9.637 -1.073 -15.438 1.00 0.00 N ATOM 0 H GLN A 34 6.660 1.201 -13.877 1.00 0.00 H new ATOM 0 HA GLN A 34 8.293 -0.454 -12.245 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.512 2.489 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.789 1.515 -12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.509 1.136 -14.991 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.130 1.719 -14.665 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.146 -0.637 -16.219 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.946 -2.043 -15.507 1.00 0.00 H new ATOM 553 N VAL A 35 6.616 1.938 -10.762 1.00 0.00 N ATOM 554 CA VAL A 35 6.211 2.447 -9.455 1.00 0.00 C ATOM 555 C VAL A 35 5.491 1.375 -8.639 1.00 0.00 C ATOM 556 O VAL A 35 5.670 1.292 -7.426 1.00 0.00 O ATOM 557 CB VAL A 35 5.321 3.707 -9.579 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.861 4.191 -8.208 1.00 0.00 C ATOM 559 CG2 VAL A 35 6.077 4.809 -10.297 1.00 0.00 C ATOM 0 H VAL A 35 6.143 2.379 -11.551 1.00 0.00 H new ATOM 0 HA VAL A 35 7.125 2.728 -8.931 1.00 0.00 H new ATOM 0 HB VAL A 35 4.436 3.444 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.237 5.077 -8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.286 3.405 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.730 4.437 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.443 5.691 -10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.976 5.060 -9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.356 4.469 -11.294 1.00 0.00 H new ATOM 569 N LEU A 36 4.705 0.536 -9.309 1.00 0.00 N ATOM 570 CA LEU A 36 3.985 -0.539 -8.626 1.00 0.00 C ATOM 571 C LEU A 36 4.968 -1.476 -7.931 1.00 0.00 C ATOM 572 O LEU A 36 4.739 -1.913 -6.801 1.00 0.00 O ATOM 573 CB LEU A 36 3.120 -1.329 -9.617 1.00 0.00 C ATOM 574 CG LEU A 36 1.998 -0.544 -10.306 1.00 0.00 C ATOM 575 CD1 LEU A 36 1.278 -1.423 -11.315 1.00 0.00 C ATOM 576 CD2 LEU A 36 1.016 0.001 -9.280 1.00 0.00 C ATOM 0 H LEU A 36 4.550 0.577 -10.316 1.00 0.00 H new ATOM 0 HA LEU A 36 3.332 -0.090 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.771 -1.744 -10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.675 -2.172 -9.088 1.00 0.00 H new ATOM 0 HG LEU A 36 2.444 0.298 -10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.484 -0.851 -11.795 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.986 -1.766 -12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.846 -2.284 -10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.227 0.555 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.576 -0.826 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.540 0.665 -8.592 1.00 0.00 H new ATOM 588 N GLU A 37 6.070 -1.760 -8.608 1.00 0.00 N ATOM 589 CA GLU A 37 7.116 -2.603 -8.051 1.00 0.00 C ATOM 590 C GLU A 37 7.836 -1.876 -6.913 1.00 0.00 C ATOM 591 O GLU A 37 8.173 -2.477 -5.892 1.00 0.00 O ATOM 592 CB GLU A 37 8.104 -3.003 -9.142 1.00 0.00 C ATOM 593 CG GLU A 37 9.276 -3.823 -8.643 1.00 0.00 C ATOM 594 CD GLU A 37 10.189 -4.248 -9.759 1.00 0.00 C ATOM 595 OE1 GLU A 37 10.316 -5.464 -9.996 1.00 0.00 O ATOM 596 OE2 GLU A 37 10.778 -3.363 -10.422 1.00 0.00 O1- ATOM 0 H GLU A 37 6.263 -1.417 -9.549 1.00 0.00 H new ATOM 0 HA GLU A 37 6.661 -3.507 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.575 -3.573 -9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.483 -2.101 -9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.841 -3.240 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.904 -4.706 -8.124 1.00 0.00 H new ATOM 603 N GLU A 38 8.047 -0.576 -7.092 1.00 0.00 N ATOM 604 CA GLU A 38 8.694 0.248 -6.076 1.00 0.00 C ATOM 605 C GLU A 38 7.892 0.244 -4.790 1.00 0.00 C ATOM 606 O GLU A 38 8.451 0.111 -3.699 1.00 0.00 O ATOM 607 CB GLU A 38 8.870 1.676 -6.581 1.00 0.00 C ATOM 608 CG GLU A 38 10.124 1.883 -7.403 1.00 0.00 C ATOM 609 CD GLU A 38 11.369 1.841 -6.551 1.00 0.00 C ATOM 610 OE1 GLU A 38 11.845 0.730 -6.234 1.00 0.00 O ATOM 611 OE2 GLU A 38 11.872 2.918 -6.179 1.00 0.00 O1- ATOM 0 H GLU A 38 7.778 -0.068 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 38 9.677 -0.176 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.003 1.948 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.890 2.353 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.185 1.113 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.067 2.843 -7.916 1.00 0.00 H new ATOM 618 N ILE A 39 6.586 0.380 -4.928 1.00 0.00 N ATOM 619 CA ILE A 39 5.687 0.349 -3.794 1.00 0.00 C ATOM 620 C ILE A 39 5.777 -0.998 -3.086 1.00 0.00 C ATOM 621 O ILE A 39 5.750 -1.068 -1.858 1.00 0.00 O ATOM 622 CB ILE A 39 4.224 0.607 -4.231 1.00 0.00 C ATOM 623 CG1 ILE A 39 4.096 1.998 -4.857 1.00 0.00 C ATOM 624 CG2 ILE A 39 3.277 0.465 -3.046 1.00 0.00 C ATOM 625 CD1 ILE A 39 2.735 2.280 -5.452 1.00 0.00 C ATOM 0 H ILE A 39 6.122 0.514 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 39 5.989 1.141 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 39 3.949 -0.138 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.312 2.749 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.851 2.106 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.254 0.650 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.351 -0.544 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.547 1.187 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.724 3.284 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.523 1.553 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.975 2.206 -4.674 1.00 0.00 H new ATOM 637 N GLU A 40 5.915 -2.063 -3.870 1.00 0.00 N ATOM 638 CA GLU A 40 5.985 -3.409 -3.322 1.00 0.00 C ATOM 639 C GLU A 40 7.199 -3.562 -2.415 1.00 0.00 C ATOM 640 O GLU A 40 7.107 -4.139 -1.335 1.00 0.00 O ATOM 641 CB GLU A 40 6.034 -4.449 -4.435 1.00 0.00 C ATOM 642 CG GLU A 40 5.880 -5.869 -3.931 1.00 0.00 C ATOM 643 CD GLU A 40 6.225 -6.901 -4.971 1.00 0.00 C ATOM 644 OE1 GLU A 40 7.401 -7.318 -5.035 1.00 0.00 O ATOM 645 OE2 GLU A 40 5.324 -7.316 -5.717 1.00 0.00 O1- ATOM 0 H GLU A 40 5.980 -2.018 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 40 5.083 -3.573 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.244 -4.238 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.982 -4.359 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.519 -6.011 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.853 -6.023 -3.601 1.00 0.00 H new ATOM 652 N GLU A 41 8.328 -3.019 -2.855 1.00 0.00 N ATOM 653 CA GLU A 41 9.562 -3.075 -2.091 1.00 0.00 C ATOM 654 C GLU A 41 9.377 -2.424 -0.727 1.00 0.00 C ATOM 655 O GLU A 41 9.909 -2.895 0.282 1.00 0.00 O ATOM 656 CB GLU A 41 10.671 -2.377 -2.862 1.00 0.00 C ATOM 657 CG GLU A 41 11.036 -3.065 -4.163 1.00 0.00 C ATOM 658 CD GLU A 41 11.647 -4.425 -3.939 1.00 0.00 C ATOM 659 OE1 GLU A 41 12.893 -4.529 -3.950 1.00 0.00 O ATOM 660 OE2 GLU A 41 10.896 -5.400 -3.735 1.00 0.00 O1- ATOM 0 H GLU A 41 8.411 -2.531 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 41 9.835 -4.119 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.364 -1.353 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.558 -2.318 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.143 -3.167 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.737 -2.441 -4.717 1.00 0.00 H new ATOM 667 N LEU A 42 8.614 -1.348 -0.706 1.00 0.00 N ATOM 668 CA LEU A 42 8.304 -0.646 0.527 1.00 0.00 C ATOM 669 C LEU A 42 7.421 -1.526 1.413 1.00 0.00 C ATOM 670 O LEU A 42 7.589 -1.575 2.631 1.00 0.00 O ATOM 671 CB LEU A 42 7.600 0.673 0.211 1.00 0.00 C ATOM 672 CG LEU A 42 8.306 1.573 -0.808 1.00 0.00 C ATOM 673 CD1 LEU A 42 7.472 2.806 -1.103 1.00 0.00 C ATOM 674 CD2 LEU A 42 9.690 1.968 -0.314 1.00 0.00 C ATOM 0 H LEU A 42 8.193 -0.936 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 42 9.228 -0.427 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.599 0.450 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.479 1.231 1.139 1.00 0.00 H new ATOM 0 HG LEU A 42 8.423 1.009 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.992 3.432 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.507 2.504 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.318 3.370 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.172 2.607 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.599 2.509 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.291 1.072 -0.162 1.00 0.00 H new ATOM 686 N ILE A 43 6.483 -2.226 0.778 1.00 0.00 N ATOM 687 CA ILE A 43 5.573 -3.136 1.470 1.00 0.00 C ATOM 688 C ILE A 43 6.352 -4.260 2.167 1.00 0.00 C ATOM 689 O ILE A 43 5.980 -4.704 3.256 1.00 0.00 O ATOM 690 CB ILE A 43 4.542 -3.754 0.488 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.696 -2.653 -0.150 1.00 0.00 C ATOM 692 CG2 ILE A 43 3.645 -4.762 1.206 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.759 -3.151 -1.226 1.00 0.00 C ATOM 0 H ILE A 43 6.333 -2.178 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 43 5.038 -2.553 2.219 1.00 0.00 H new ATOM 0 HB ILE A 43 5.087 -4.280 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.112 -2.160 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.358 -1.900 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.930 -5.182 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.257 -5.562 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.107 -4.261 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.192 -2.313 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.336 -3.618 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.071 -3.882 -0.800 1.00 0.00 H new ATOM 705 N GLN A 44 7.442 -4.706 1.539 1.00 0.00 N ATOM 706 CA GLN A 44 8.280 -5.758 2.117 1.00 0.00 C ATOM 707 C GLN A 44 8.854 -5.320 3.458 1.00 0.00 C ATOM 708 O GLN A 44 8.989 -6.132 4.379 1.00 0.00 O ATOM 709 CB GLN A 44 9.416 -6.171 1.166 1.00 0.00 C ATOM 710 CG GLN A 44 9.090 -7.370 0.280 1.00 0.00 C ATOM 711 CD GLN A 44 8.107 -7.051 -0.826 1.00 0.00 C ATOM 712 OE1 GLN A 44 6.890 -7.132 -0.637 1.00 0.00 O ATOM 713 NE2 GLN A 44 8.626 -6.704 -1.991 1.00 0.00 N ATOM 0 H GLN A 44 7.763 -4.358 0.636 1.00 0.00 H new ATOM 0 HA GLN A 44 7.640 -6.627 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.668 -5.322 0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.303 -6.401 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.012 -7.747 -0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.682 -8.169 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.638 -6.650 -2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.014 -6.490 -2.779 1.00 0.00 H new ATOM 722 N LYS A 45 9.178 -4.033 3.571 1.00 0.00 N ATOM 723 CA LYS A 45 9.698 -3.488 4.820 1.00 0.00 C ATOM 724 C LYS A 45 8.668 -3.661 5.928 1.00 0.00 C ATOM 725 O LYS A 45 8.993 -4.094 7.033 1.00 0.00 O ATOM 726 CB LYS A 45 10.027 -2.000 4.674 1.00 0.00 C ATOM 727 CG LYS A 45 11.065 -1.676 3.616 1.00 0.00 C ATOM 728 CD LYS A 45 11.365 -0.185 3.600 1.00 0.00 C ATOM 729 CE LYS A 45 12.452 0.160 2.601 1.00 0.00 C ATOM 730 NZ LYS A 45 12.868 1.585 2.703 1.00 0.00 N ATOM 0 H LYS A 45 9.090 -3.353 2.816 1.00 0.00 H new ATOM 0 HA LYS A 45 10.611 -4.029 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.109 -1.461 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.379 -1.625 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.980 -2.235 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.704 -1.991 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.457 0.366 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.672 0.135 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.316 -0.483 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.095 -0.042 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.612 1.780 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.050 2.200 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.233 1.772 3.659 1.00 0.00 H new ATOM 744 N HIS A 46 7.417 -3.345 5.605 1.00 0.00 N ATOM 745 CA HIS A 46 6.319 -3.446 6.558 1.00 0.00 C ATOM 746 C HIS A 46 6.147 -4.882 7.047 1.00 0.00 C ATOM 747 O HIS A 46 5.995 -5.121 8.244 1.00 0.00 O ATOM 748 CB HIS A 46 5.011 -2.939 5.928 1.00 0.00 C ATOM 749 CG HIS A 46 3.835 -2.972 6.861 1.00 0.00 C ATOM 750 ND1 HIS A 46 2.787 -3.865 6.754 1.00 0.00 N ATOM 751 CD2 HIS A 46 3.554 -2.197 7.938 1.00 0.00 C ATOM 752 CE1 HIS A 46 1.929 -3.610 7.747 1.00 0.00 C ATOM 753 NE2 HIS A 46 2.346 -2.606 8.494 1.00 0.00 N ATOM 0 H HIS A 46 7.138 -3.014 4.681 1.00 0.00 H new ATOM 0 HA HIS A 46 6.561 -2.820 7.417 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.159 -1.916 5.581 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.783 -3.544 5.050 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.686 -4.590 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.170 -1.390 8.306 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.012 -4.156 7.916 1.00 0.00 H new ATOM 761 N ARG A 47 6.196 -5.834 6.116 1.00 0.00 N ATOM 762 CA ARG A 47 6.024 -7.247 6.459 1.00 0.00 C ATOM 763 C ARG A 47 7.111 -7.687 7.435 1.00 0.00 C ATOM 764 O ARG A 47 6.844 -8.391 8.411 1.00 0.00 O ATOM 765 CB ARG A 47 6.089 -8.135 5.205 1.00 0.00 C ATOM 766 CG ARG A 47 5.230 -7.667 4.037 1.00 0.00 C ATOM 767 CD ARG A 47 5.261 -8.682 2.900 1.00 0.00 C ATOM 768 NE ARG A 47 4.910 -8.090 1.601 1.00 0.00 N ATOM 769 CZ ARG A 47 4.226 -8.724 0.637 1.00 0.00 C ATOM 770 NH1 ARG A 47 3.737 -9.939 0.853 1.00 0.00 N ATOM 771 NH2 ARG A 47 4.041 -8.139 -0.544 1.00 0.00 N ATOM 0 H ARG A 47 6.352 -5.655 5.124 1.00 0.00 H new ATOM 0 HA ARG A 47 5.043 -7.359 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.126 -8.193 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.785 -9.145 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.203 -7.520 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.590 -6.702 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.257 -9.121 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.568 -9.493 3.124 1.00 0.00 H new ATOM 0 HE ARG A 47 5.207 -7.131 1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.881 -10.394 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.217 -10.418 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.420 -7.208 -0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.521 -8.622 -1.276 1.00 0.00 H new ATOM 785 N GLN A 48 8.334 -7.246 7.172 1.00 0.00 N ATOM 786 CA GLN A 48 9.478 -7.610 7.990 1.00 0.00 C ATOM 787 C GLN A 48 9.403 -6.971 9.378 1.00 0.00 C ATOM 788 O GLN A 48 9.648 -7.632 10.388 1.00 0.00 O ATOM 789 CB GLN A 48 10.768 -7.191 7.288 1.00 0.00 C ATOM 790 CG GLN A 48 12.032 -7.569 8.038 1.00 0.00 C ATOM 791 CD GLN A 48 13.293 -7.131 7.321 1.00 0.00 C ATOM 792 OE1 GLN A 48 13.214 -6.033 6.590 1.00 0.00 O flip ATOM 793 NE2 GLN A 48 14.333 -7.774 7.430 1.00 0.00 N flip ATOM 0 H GLN A 48 8.558 -6.630 6.390 1.00 0.00 H new ATOM 0 HA GLN A 48 9.469 -8.692 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.795 -7.647 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.755 -6.111 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.009 -7.119 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.056 -8.650 8.179 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.354 -8.617 8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.176 -7.465 6.947 1.00 0.00 H new ATOM 802 N LEU A 49 9.051 -5.694 9.423 1.00 0.00 N ATOM 803 CA LEU A 49 8.972 -4.967 10.687 1.00 0.00 C ATOM 804 C LEU A 49 7.844 -5.499 11.561 1.00 0.00 C ATOM 805 O LEU A 49 7.986 -5.602 12.779 1.00 0.00 O ATOM 806 CB LEU A 49 8.782 -3.469 10.435 1.00 0.00 C ATOM 807 CG LEU A 49 9.925 -2.768 9.692 1.00 0.00 C ATOM 808 CD1 LEU A 49 9.574 -1.314 9.430 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.225 -2.870 10.479 1.00 0.00 C ATOM 0 H LEU A 49 8.815 -5.138 8.601 1.00 0.00 H new ATOM 0 HA LEU A 49 9.913 -5.119 11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.863 -3.329 9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.640 -2.973 11.395 1.00 0.00 H new ATOM 0 HG LEU A 49 10.067 -3.269 8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.396 -0.831 8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.671 -1.262 8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.403 -0.805 10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.022 -2.366 9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.098 -2.398 11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.486 -3.919 10.615 1.00 0.00 H new ATOM 821 N PHE A 50 6.736 -5.857 10.929 1.00 0.00 N ATOM 822 CA PHE A 50 5.575 -6.381 11.639 1.00 0.00 C ATOM 823 C PHE A 50 5.926 -7.702 12.327 1.00 0.00 C ATOM 824 O PHE A 50 5.600 -7.914 13.500 1.00 0.00 O ATOM 825 CB PHE A 50 4.415 -6.580 10.652 1.00 0.00 C ATOM 826 CG PHE A 50 3.104 -6.939 11.295 1.00 0.00 C ATOM 827 CD1 PHE A 50 2.350 -5.975 11.942 1.00 0.00 C ATOM 828 CD2 PHE A 50 2.620 -8.236 11.238 1.00 0.00 C ATOM 829 CE1 PHE A 50 1.138 -6.296 12.522 1.00 0.00 C ATOM 830 CE2 PHE A 50 1.410 -8.564 11.816 1.00 0.00 C ATOM 831 CZ PHE A 50 0.668 -7.592 12.460 1.00 0.00 C ATOM 0 H PHE A 50 6.615 -5.794 9.918 1.00 0.00 H new ATOM 0 HA PHE A 50 5.271 -5.667 12.405 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.284 -5.664 10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.686 -7.365 9.946 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.714 -4.959 11.994 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.196 -8.999 10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.559 -5.534 13.023 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.044 -9.579 11.765 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.278 -7.846 12.914 1.00 0.00 H new ATOM 841 N ASP A 51 6.610 -8.571 11.595 1.00 0.00 N ATOM 842 CA ASP A 51 7.024 -9.875 12.117 1.00 0.00 C ATOM 843 C ASP A 51 8.033 -9.729 13.251 1.00 0.00 C ATOM 844 O ASP A 51 7.952 -10.431 14.261 1.00 0.00 O ATOM 845 CB ASP A 51 7.623 -10.726 10.991 1.00 0.00 C ATOM 846 CG ASP A 51 8.357 -11.955 11.503 1.00 0.00 C ATOM 847 OD1 ASP A 51 7.699 -12.956 11.823 1.00 0.00 O ATOM 848 OD2 ASP A 51 9.610 -11.921 11.564 1.00 0.00 O1- ATOM 0 H ASP A 51 6.894 -8.398 10.631 1.00 0.00 H new ATOM 0 HA ASP A 51 6.139 -10.371 12.516 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.826 -11.040 10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.312 -10.115 10.408 1.00 0.00 H new ATOM 853 N ASN A 52 8.957 -8.796 13.091 1.00 0.00 N ATOM 854 CA ASN A 52 10.009 -8.574 14.081 1.00 0.00 C ATOM 855 C ASN A 52 9.474 -7.951 15.359 1.00 0.00 C ATOM 856 O ASN A 52 9.849 -8.363 16.463 1.00 0.00 O ATOM 857 CB ASN A 52 11.131 -7.709 13.499 1.00 0.00 C ATOM 858 CG ASN A 52 12.159 -8.521 12.728 1.00 0.00 C ATOM 859 OD1 ASN A 52 13.175 -8.941 13.282 1.00 0.00 O ATOM 860 ND2 ASN A 52 11.907 -8.749 11.457 1.00 0.00 N ATOM 0 H ASN A 52 9.003 -8.175 12.283 1.00 0.00 H new ATOM 0 HA ASN A 52 10.413 -9.553 14.338 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.699 -6.957 12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.629 -7.175 14.308 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.565 -9.290 10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.054 -8.384 11.033 1.00 0.00 H new ATOM 867 N ARG A 53 8.593 -6.965 15.219 1.00 0.00 N ATOM 868 CA ARG A 53 8.041 -6.281 16.382 1.00 0.00 C ATOM 869 C ARG A 53 7.238 -7.233 17.263 1.00 0.00 C ATOM 870 O ARG A 53 7.263 -7.127 18.490 1.00 0.00 O ATOM 871 CB ARG A 53 7.162 -5.098 15.979 1.00 0.00 C ATOM 872 CG ARG A 53 6.619 -4.355 17.184 1.00 0.00 C ATOM 873 CD ARG A 53 5.519 -3.380 16.828 1.00 0.00 C ATOM 874 NE ARG A 53 4.899 -2.851 18.039 1.00 0.00 N ATOM 875 CZ ARG A 53 3.734 -2.221 18.090 1.00 0.00 C ATOM 876 NH1 ARG A 53 3.051 -1.983 16.981 1.00 0.00 N ATOM 877 NH2 ARG A 53 3.252 -1.827 19.257 1.00 0.00 N ATOM 0 H ARG A 53 8.249 -6.625 14.321 1.00 0.00 H new ATOM 0 HA ARG A 53 8.891 -5.906 16.951 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.740 -4.411 15.360 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.332 -5.455 15.369 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.238 -5.076 17.908 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.433 -3.816 17.669 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.927 -2.563 16.233 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.768 -3.877 16.214 1.00 0.00 H new ATOM 0 HE ARG A 53 5.403 -2.976 18.917 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.421 -2.285 16.080 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.155 -1.498 17.028 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.776 -2.008 20.113 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.356 -1.342 19.301 1.00 0.00 H new ATOM 891 N GLN A 54 6.516 -8.150 16.642 1.00 0.00 N ATOM 892 CA GLN A 54 5.713 -9.094 17.394 1.00 0.00 C ATOM 893 C GLN A 54 6.569 -10.250 17.908 1.00 0.00 C ATOM 894 O GLN A 54 6.906 -10.290 19.093 1.00 0.00 O ATOM 895 CB GLN A 54 4.524 -9.592 16.563 1.00 0.00 C ATOM 896 CG GLN A 54 3.571 -8.471 16.154 1.00 0.00 C ATOM 897 CD GLN A 54 2.298 -8.965 15.484 1.00 0.00 C ATOM 898 OE1 GLN A 54 2.380 -10.083 14.799 1.00 0.00 O flip ATOM 899 NE2 GLN A 54 1.248 -8.333 15.588 1.00 0.00 N flip ATOM 0 H GLN A 54 6.470 -8.259 15.629 1.00 0.00 H new ATOM 0 HA GLN A 54 5.306 -8.577 18.263 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.897 -10.090 15.668 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.974 -10.338 17.137 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.305 -7.892 17.038 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.090 -7.795 15.475 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.224 -7.469 16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.401 -8.673 15.133 1.00 0.00 H new ATOM 908 N GLU A 55 6.943 -11.166 17.013 1.00 0.00 N ATOM 909 CA GLU A 55 7.785 -12.311 17.372 1.00 0.00 C ATOM 910 C GLU A 55 7.970 -13.218 16.166 1.00 0.00 C ATOM 911 O GLU A 55 9.068 -13.324 15.610 1.00 0.00 O ATOM 912 CB GLU A 55 7.167 -13.115 18.527 1.00 0.00 C ATOM 913 CG GLU A 55 8.178 -13.956 19.280 1.00 0.00 C ATOM 914 CD GLU A 55 9.270 -13.107 19.886 1.00 0.00 C ATOM 915 OE1 GLU A 55 10.265 -12.821 19.188 1.00 0.00 O ATOM 916 OE2 GLU A 55 9.132 -12.701 21.059 1.00 0.00 O1- ATOM 0 H GLU A 55 6.675 -11.138 16.029 1.00 0.00 H new ATOM 0 HA GLU A 55 8.752 -11.928 17.696 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.686 -12.427 19.223 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.387 -13.765 18.131 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.672 -14.515 20.067 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.619 -14.688 18.603 1.00 0.00 H new ATOM 923 N ALA A 56 6.891 -13.863 15.778 1.00 0.00 N ATOM 924 CA ALA A 56 6.870 -14.739 14.631 1.00 0.00 C ATOM 925 C ALA A 56 5.527 -14.603 13.947 1.00 0.00 C ATOM 926 O ALA A 56 4.551 -15.263 14.314 1.00 0.00 O ATOM 927 CB ALA A 56 7.131 -16.179 15.044 1.00 0.00 C ATOM 0 H ALA A 56 5.994 -13.792 16.258 1.00 0.00 H new ATOM 0 HA ALA A 56 7.662 -14.456 13.937 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.110 -16.820 14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.109 -16.249 15.521 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.361 -16.502 15.745 1.00 0.00 H new ATOM 933 N ALA A 57 5.477 -13.734 12.974 1.00 0.00 N ATOM 934 CA ALA A 57 4.246 -13.408 12.303 1.00 0.00 C ATOM 935 C ALA A 57 4.444 -13.364 10.806 1.00 0.00 C ATOM 936 O ALA A 57 3.724 -12.669 10.098 1.00 0.00 O ATOM 937 CB ALA A 57 3.755 -12.068 12.803 1.00 0.00 C ATOM 0 H ALA A 57 6.291 -13.230 12.622 1.00 0.00 H new ATOM 0 HA ALA A 57 3.506 -14.178 12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.822 -11.812 12.301 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.585 -12.121 13.878 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.503 -11.304 12.591 1.00 0.00 H new ATOM 943 N ASP A 58 5.386 -14.142 10.326 1.00 0.00 N ATOM 944 CA ASP A 58 5.726 -14.167 8.908 1.00 0.00 C ATOM 945 C ASP A 58 4.534 -14.592 8.051 1.00 0.00 C ATOM 946 O ASP A 58 4.333 -14.068 6.959 1.00 0.00 O ATOM 947 CB ASP A 58 6.916 -15.103 8.661 1.00 0.00 C ATOM 948 CG ASP A 58 6.607 -16.554 8.986 1.00 0.00 C ATOM 949 OD1 ASP A 58 6.323 -16.859 10.164 1.00 0.00 O ATOM 950 OD2 ASP A 58 6.655 -17.398 8.067 1.00 0.00 O1- ATOM 0 H ASP A 58 5.942 -14.777 10.899 1.00 0.00 H new ATOM 0 HA ASP A 58 6.002 -13.154 8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.220 -15.027 7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.762 -14.773 9.264 1.00 0.00 H new ATOM 955 N THR A 59 3.732 -15.514 8.557 1.00 0.00 N ATOM 956 CA THR A 59 2.584 -15.994 7.815 1.00 0.00 C ATOM 957 C THR A 59 1.466 -14.937 7.753 1.00 0.00 C ATOM 958 O THR A 59 0.878 -14.707 6.695 1.00 0.00 O ATOM 959 CB THR A 59 2.043 -17.290 8.437 1.00 0.00 C ATOM 960 OG1 THR A 59 3.104 -18.253 8.512 1.00 0.00 O ATOM 961 CG2 THR A 59 0.901 -17.859 7.605 1.00 0.00 C ATOM 0 H THR A 59 3.856 -15.942 9.475 1.00 0.00 H new ATOM 0 HA THR A 59 2.916 -16.196 6.797 1.00 0.00 H new ATOM 0 HB THR A 59 1.664 -17.067 9.434 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.766 -19.082 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.536 -18.776 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.091 -17.132 7.553 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.258 -18.077 6.598 1.00 0.00 H new ATOM 969 N GLU A 60 1.193 -14.281 8.877 1.00 0.00 N ATOM 970 CA GLU A 60 0.156 -13.254 8.909 1.00 0.00 C ATOM 971 C GLU A 60 0.623 -11.981 8.208 1.00 0.00 C ATOM 972 O GLU A 60 -0.178 -11.261 7.619 1.00 0.00 O ATOM 973 CB GLU A 60 -0.322 -12.975 10.340 1.00 0.00 C ATOM 974 CG GLU A 60 0.780 -12.629 11.312 1.00 0.00 C ATOM 975 CD GLU A 60 0.309 -12.621 12.747 1.00 0.00 C ATOM 976 OE1 GLU A 60 -0.106 -13.692 13.242 1.00 0.00 O ATOM 977 OE2 GLU A 60 0.372 -11.557 13.398 1.00 0.00 O1- ATOM 0 H GLU A 60 1.667 -14.439 9.766 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.704 -13.635 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.039 -12.155 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.853 -13.852 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.593 -13.347 11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.186 -11.649 11.061 1.00 0.00 H new ATOM 984 N ALA A 61 1.927 -11.712 8.267 1.00 0.00 N ATOM 985 CA ALA A 61 2.501 -10.571 7.566 1.00 0.00 C ATOM 986 C ALA A 61 2.388 -10.789 6.067 1.00 0.00 C ATOM 987 O ALA A 61 2.117 -9.856 5.305 1.00 0.00 O ATOM 988 CB ALA A 61 3.955 -10.368 7.966 1.00 0.00 C ATOM 0 H ALA A 61 2.601 -12.269 8.792 1.00 0.00 H new ATOM 0 HA ALA A 61 1.949 -9.672 7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.363 -9.511 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.015 -10.188 9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.529 -11.260 7.715 1.00 0.00 H new ATOM 994 N ALA A 62 2.588 -12.036 5.652 1.00 0.00 N ATOM 995 CA ALA A 62 2.435 -12.408 4.262 1.00 0.00 C ATOM 996 C ALA A 62 0.992 -12.214 3.837 1.00 0.00 C ATOM 997 O ALA A 62 0.720 -11.767 2.734 1.00 0.00 O ATOM 998 CB ALA A 62 2.867 -13.851 4.043 1.00 0.00 C ATOM 0 H ALA A 62 2.857 -12.804 6.267 1.00 0.00 H new ATOM 0 HA ALA A 62 3.073 -11.768 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.745 -14.112 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.914 -13.964 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.253 -14.512 4.655 1.00 0.00 H new ATOM 1004 N LYS A 63 0.066 -12.543 4.738 1.00 0.00 N ATOM 1005 CA LYS A 63 -1.359 -12.363 4.483 1.00 0.00 C ATOM 1006 C LYS A 63 -1.712 -10.889 4.364 1.00 0.00 C ATOM 1007 O LYS A 63 -2.561 -10.516 3.562 1.00 0.00 O ATOM 1008 CB LYS A 63 -2.195 -13.015 5.580 1.00 0.00 C ATOM 1009 CG LYS A 63 -2.293 -14.521 5.461 1.00 0.00 C ATOM 1010 CD LYS A 63 -3.084 -15.112 6.611 1.00 0.00 C ATOM 1011 CE LYS A 63 -3.445 -16.561 6.343 1.00 0.00 C ATOM 1012 NZ LYS A 63 -4.392 -16.691 5.206 1.00 0.00 N ATOM 0 H LYS A 63 0.281 -12.937 5.654 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.588 -12.850 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.765 -12.764 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.199 -12.592 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.769 -14.783 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.292 -14.953 5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.501 -15.044 7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.993 -14.531 6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.539 -17.128 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.889 -16.997 7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.886 -17.604 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.087 -15.918 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.867 -16.642 4.310 1.00 0.00 H new ATOM 1026 N GLN A 64 -1.056 -10.055 5.166 1.00 0.00 N ATOM 1027 CA GLN A 64 -1.277 -8.619 5.107 1.00 0.00 C ATOM 1028 C GLN A 64 -0.848 -8.103 3.742 1.00 0.00 C ATOM 1029 O GLN A 64 -1.547 -7.305 3.114 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.501 -7.911 6.241 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.767 -6.407 6.362 1.00 0.00 C ATOM 1032 CD GLN A 64 0.065 -5.565 5.402 1.00 0.00 C ATOM 1033 OE1 GLN A 64 1.196 -5.916 5.061 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.490 -4.451 4.964 1.00 0.00 N ATOM 0 H GLN A 64 -0.370 -10.350 5.861 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.336 -8.404 5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.755 -8.388 7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.566 -8.065 6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.824 -6.217 6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.560 -6.090 7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.429 -4.195 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.020 -3.846 4.320 1.00 0.00 H new ATOM 1043 N GLY A 65 0.292 -8.590 3.276 1.00 0.00 N ATOM 1044 CA GLY A 65 0.771 -8.219 1.969 1.00 0.00 C ATOM 1045 C GLY A 65 -0.095 -8.805 0.874 1.00 0.00 C ATOM 1046 O GLY A 65 -0.404 -8.135 -0.102 1.00 0.00 O ATOM 0 H GLY A 65 0.893 -9.238 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.786 -7.133 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.798 -8.563 1.845 1.00 0.00 H new ATOM 1050 N ASP A 66 -0.502 -10.057 1.060 1.00 0.00 N ATOM 1051 CA ASP A 66 -1.345 -10.769 0.094 1.00 0.00 C ATOM 1052 C ASP A 66 -2.680 -10.066 -0.077 1.00 0.00 C ATOM 1053 O ASP A 66 -3.180 -9.924 -1.193 1.00 0.00 O ATOM 1054 CB ASP A 66 -1.583 -12.207 0.564 1.00 0.00 C ATOM 1055 CG ASP A 66 -2.350 -13.040 -0.442 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -3.598 -13.009 -0.431 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -1.707 -13.749 -1.238 1.00 0.00 O1- ATOM 0 H ASP A 66 -0.259 -10.610 1.882 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.828 -10.780 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.622 -12.682 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.131 -12.189 1.506 1.00 0.00 H new ATOM 1062 N GLN A 67 -3.243 -9.612 1.033 1.00 0.00 N ATOM 1063 CA GLN A 67 -4.511 -8.902 1.020 1.00 0.00 C ATOM 1064 C GLN A 67 -4.360 -7.585 0.276 1.00 0.00 C ATOM 1065 O GLN A 67 -5.246 -7.171 -0.469 1.00 0.00 O ATOM 1066 CB GLN A 67 -4.994 -8.658 2.457 1.00 0.00 C ATOM 1067 CG GLN A 67 -6.345 -7.959 2.560 1.00 0.00 C ATOM 1068 CD GLN A 67 -7.462 -8.714 1.855 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -7.354 -10.032 1.802 1.00 0.00 O flip ATOM 1070 NE2 GLN A 67 -8.421 -8.111 1.367 1.00 0.00 N flip ATOM 0 H GLN A 67 -2.836 -9.725 1.962 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.255 -9.509 0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.054 -9.616 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.249 -8.059 2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.605 -7.836 3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.264 -6.960 2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.469 -7.094 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.167 -8.629 0.902 1.00 0.00 H new ATOM 1079 N TRP A 68 -3.223 -6.947 0.469 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.925 -5.713 -0.185 1.00 0.00 C ATOM 1081 C TRP A 68 -2.740 -5.957 -1.690 1.00 0.00 C ATOM 1082 O TRP A 68 -3.132 -5.136 -2.521 1.00 0.00 O ATOM 1083 CB TRP A 68 -1.681 -5.114 0.443 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.407 -3.730 0.020 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.509 -3.344 -0.898 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.042 -2.544 0.497 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.517 -1.976 -1.024 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.459 -1.464 -0.177 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.046 -2.292 1.433 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.842 -0.150 0.053 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.428 -0.987 1.657 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.827 0.068 0.971 1.00 0.00 C ATOM 0 H TRP A 68 -2.485 -7.281 1.088 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.747 -5.008 -0.064 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.786 -5.138 1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.823 -5.737 0.192 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.129 -4.012 -1.458 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.081 -1.433 -1.647 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.514 -3.103 1.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.377 0.669 -0.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.206 -0.778 2.376 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.148 1.079 1.171 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.142 -7.100 -2.025 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.979 -7.511 -3.416 1.00 0.00 C ATOM 1105 C VAL A 69 -3.349 -7.697 -4.066 1.00 0.00 C ATOM 1106 O VAL A 69 -3.547 -7.353 -5.225 1.00 0.00 O ATOM 1107 CB VAL A 69 -1.150 -8.823 -3.547 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.131 -9.317 -4.989 1.00 0.00 C ATOM 1109 CG2 VAL A 69 0.272 -8.607 -3.052 1.00 0.00 C ATOM 0 H VAL A 69 -1.761 -7.760 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.429 -6.722 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.628 -9.583 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.545 -10.234 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.151 -9.514 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.683 -8.556 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.837 -9.534 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.749 -7.827 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.251 -8.305 -2.005 1.00 0.00 H new ATOM 1119 N GLN A 70 -4.297 -8.232 -3.298 1.00 0.00 N ATOM 1120 CA GLN A 70 -5.661 -8.430 -3.783 1.00 0.00 C ATOM 1121 C GLN A 70 -6.306 -7.086 -4.128 1.00 0.00 C ATOM 1122 O GLN A 70 -7.125 -6.992 -5.045 1.00 0.00 O ATOM 1123 CB GLN A 70 -6.503 -9.166 -2.738 1.00 0.00 C ATOM 1124 CG GLN A 70 -5.999 -10.565 -2.415 1.00 0.00 C ATOM 1125 CD GLN A 70 -6.824 -11.244 -1.341 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -8.022 -10.988 -1.204 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -6.192 -12.108 -0.567 1.00 0.00 N ATOM 0 H GLN A 70 -4.145 -8.536 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.617 -9.040 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.523 -8.577 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.530 -9.234 -3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.016 -11.172 -3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.960 -10.508 -2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.199 -12.292 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.697 -12.591 0.176 1.00 0.00 H new ATOM 1136 N LEU A 71 -5.920 -6.046 -3.399 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.396 -4.714 -3.661 1.00 0.00 C ATOM 1138 C LEU A 71 -5.816 -4.223 -4.989 1.00 0.00 C ATOM 1139 O LEU A 71 -6.516 -3.619 -5.805 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.001 -3.790 -2.508 1.00 0.00 C ATOM 1141 CG LEU A 71 -6.249 -2.310 -2.727 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -7.733 -2.027 -2.928 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -5.698 -1.500 -1.568 1.00 0.00 C ATOM 0 H LEU A 71 -5.271 -6.112 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.483 -4.713 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.545 -4.101 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.941 -3.934 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.726 -2.010 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.882 -0.958 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.093 -2.574 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.287 -2.346 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.885 -0.441 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.188 -1.807 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.625 -1.670 -1.483 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.534 -4.511 -5.202 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.866 -4.188 -6.459 1.00 0.00 C ATOM 1157 C PHE A 72 -4.473 -4.989 -7.600 1.00 0.00 C ATOM 1158 O PHE A 72 -4.557 -4.515 -8.727 1.00 0.00 O ATOM 1159 CB PHE A 72 -2.360 -4.458 -6.366 1.00 0.00 C ATOM 1160 CG PHE A 72 -1.566 -3.312 -5.805 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -1.899 -2.742 -4.587 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -0.480 -2.803 -6.501 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -1.167 -1.690 -4.077 1.00 0.00 C ATOM 1164 CE2 PHE A 72 0.256 -1.751 -5.993 1.00 0.00 C ATOM 1165 CZ PHE A 72 -0.088 -1.195 -4.781 1.00 0.00 C ATOM 0 H PHE A 72 -3.935 -4.970 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.010 -3.126 -6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.197 -5.338 -5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.982 -4.696 -7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.741 -3.126 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.206 -3.235 -7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.438 -1.254 -3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.100 -1.365 -6.545 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.486 -0.372 -4.382 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.891 -6.212 -7.290 1.00 0.00 N ATOM 1176 CA GLN A 73 -5.546 -7.080 -8.259 1.00 0.00 C ATOM 1177 C GLN A 73 -6.820 -6.410 -8.766 1.00 0.00 C ATOM 1178 O GLN A 73 -7.080 -6.380 -9.965 1.00 0.00 O ATOM 1179 CB GLN A 73 -5.873 -8.433 -7.612 1.00 0.00 C ATOM 1180 CG GLN A 73 -6.509 -9.444 -8.554 1.00 0.00 C ATOM 1181 CD GLN A 73 -5.581 -9.870 -9.676 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -4.356 -9.896 -9.520 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -6.155 -10.204 -10.811 1.00 0.00 N ATOM 0 H GLN A 73 -4.785 -6.627 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.877 -7.252 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.955 -8.859 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.545 -8.266 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.811 -10.323 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.415 -9.015 -8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.171 -10.169 -10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.585 -10.498 -11.604 1.00 0.00 H new ATOM 1192 N ARG A 74 -7.593 -5.849 -7.834 1.00 0.00 N ATOM 1193 CA ARG A 74 -8.816 -5.119 -8.171 1.00 0.00 C ATOM 1194 C ARG A 74 -8.484 -3.948 -9.090 1.00 0.00 C ATOM 1195 O ARG A 74 -9.157 -3.714 -10.094 1.00 0.00 O ATOM 1196 CB ARG A 74 -9.489 -4.588 -6.892 1.00 0.00 C ATOM 1197 CG ARG A 74 -10.037 -5.668 -5.970 1.00 0.00 C ATOM 1198 CD ARG A 74 -10.440 -5.091 -4.612 1.00 0.00 C ATOM 1199 NE ARG A 74 -11.395 -3.982 -4.734 1.00 0.00 N ATOM 1200 CZ ARG A 74 -11.606 -3.057 -3.783 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -10.975 -3.133 -2.619 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -12.467 -2.067 -3.994 1.00 0.00 N ATOM 0 H ARG A 74 -7.392 -5.887 -6.835 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.499 -5.800 -8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.766 -3.989 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.304 -3.922 -7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.901 -6.143 -6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.285 -6.444 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.880 -5.880 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.549 -4.743 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.933 -3.909 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.324 -3.898 -2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.141 -2.427 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.969 -2.008 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.625 -1.366 -3.270 1.00 0.00 H new ATOM 1216 N PHE A 75 -7.425 -3.233 -8.738 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.968 -2.079 -9.500 1.00 0.00 C ATOM 1218 C PHE A 75 -6.511 -2.500 -10.898 1.00 0.00 C ATOM 1219 O PHE A 75 -6.831 -1.849 -11.888 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.824 -1.384 -8.737 1.00 0.00 C ATOM 1221 CG PHE A 75 -5.340 -0.098 -9.355 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -6.042 1.082 -9.167 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -4.179 -0.068 -10.111 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -5.596 2.266 -9.721 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.729 1.113 -10.669 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.439 2.281 -10.474 1.00 0.00 C ATOM 0 H PHE A 75 -6.858 -3.437 -7.915 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.795 -1.379 -9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.157 -1.179 -7.720 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.983 -2.074 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.949 1.076 -8.580 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.619 -0.979 -10.266 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.152 3.179 -9.565 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.823 1.123 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.090 3.205 -10.910 1.00 0.00 H new ATOM 1236 N ARG A 76 -5.787 -3.604 -10.965 1.00 0.00 N ATOM 1237 CA ARG A 76 -5.267 -4.114 -12.226 1.00 0.00 C ATOM 1238 C ARG A 76 -6.406 -4.544 -13.151 1.00 0.00 C ATOM 1239 O ARG A 76 -6.410 -4.216 -14.339 1.00 0.00 O ATOM 1240 CB ARG A 76 -4.330 -5.296 -11.963 1.00 0.00 C ATOM 1241 CG ARG A 76 -3.465 -5.689 -13.151 1.00 0.00 C ATOM 1242 CD ARG A 76 -2.547 -4.549 -13.560 1.00 0.00 C ATOM 1243 NE ARG A 76 -1.457 -4.999 -14.423 1.00 0.00 N ATOM 1244 CZ ARG A 76 -0.363 -4.279 -14.682 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -0.247 -3.048 -14.201 1.00 0.00 N ATOM 1246 NH2 ARG A 76 0.605 -4.781 -15.429 1.00 0.00 N ATOM 0 H ARG A 76 -5.543 -4.171 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.711 -3.316 -12.717 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.681 -5.050 -11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.927 -6.157 -11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.870 -6.566 -12.897 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.101 -5.968 -13.991 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.127 -3.786 -14.079 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.132 -4.081 -12.667 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.537 -5.920 -14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.994 -2.650 -13.632 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.590 -2.499 -14.400 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.518 -5.723 -15.811 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.439 -4.226 -15.624 1.00 0.00 H new ATOM 1260 N GLU A 77 -7.376 -5.258 -12.594 1.00 0.00 N ATOM 1261 CA GLU A 77 -8.513 -5.732 -13.365 1.00 0.00 C ATOM 1262 C GLU A 77 -9.371 -4.572 -13.855 1.00 0.00 C ATOM 1263 O GLU A 77 -9.871 -4.596 -14.976 1.00 0.00 O ATOM 1264 CB GLU A 77 -9.343 -6.731 -12.564 1.00 0.00 C ATOM 1265 CG GLU A 77 -8.586 -8.007 -12.228 1.00 0.00 C ATOM 1266 CD GLU A 77 -9.463 -9.058 -11.597 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -9.498 -9.151 -10.356 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -10.128 -9.800 -12.343 1.00 0.00 O1- ATOM 0 H GLU A 77 -7.396 -5.521 -11.609 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.125 -6.249 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.675 -6.259 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.239 -6.986 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.141 -8.410 -13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.766 -7.770 -11.550 1.00 0.00 H new ATOM 1275 N ALA A 78 -9.540 -3.558 -13.016 1.00 0.00 N ATOM 1276 CA ALA A 78 -10.297 -2.375 -13.401 1.00 0.00 C ATOM 1277 C ALA A 78 -9.636 -1.682 -14.600 1.00 0.00 C ATOM 1278 O ALA A 78 -10.322 -1.150 -15.479 1.00 0.00 O ATOM 1279 CB ALA A 78 -10.435 -1.423 -12.225 1.00 0.00 C ATOM 0 H ALA A 78 -9.164 -3.531 -12.068 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.298 -2.685 -13.700 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.004 -0.545 -12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.955 -1.925 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.445 -1.115 -11.888 1.00 0.00 H new ATOM 1285 N ILE A 79 -8.297 -1.703 -14.635 1.00 0.00 N ATOM 1286 CA ILE A 79 -7.543 -1.151 -15.766 1.00 0.00 C ATOM 1287 C ILE A 79 -7.821 -1.976 -17.016 1.00 0.00 C ATOM 1288 O ILE A 79 -7.980 -1.436 -18.113 1.00 0.00 O ATOM 1289 CB ILE A 79 -6.009 -1.146 -15.501 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -5.668 -0.263 -14.301 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -5.247 -0.678 -16.740 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -4.193 -0.246 -13.956 1.00 0.00 C ATOM 0 H ILE A 79 -7.716 -2.096 -13.894 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.869 -0.120 -15.902 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.703 -2.167 -15.274 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.996 0.756 -14.506 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.231 -0.610 -13.434 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.177 -0.682 -16.532 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.458 -1.350 -17.572 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.562 0.332 -17.001 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.028 0.401 -13.095 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.863 -1.257 -13.718 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.625 0.130 -14.807 1.00 0.00 H new ATOM 1304 N ASP A 80 -7.905 -3.287 -16.828 1.00 0.00 N ATOM 1305 CA ASP A 80 -8.177 -4.219 -17.918 1.00 0.00 C ATOM 1306 C ASP A 80 -9.541 -3.942 -18.536 1.00 0.00 C ATOM 1307 O ASP A 80 -9.713 -4.031 -19.752 1.00 0.00 O ATOM 1308 CB ASP A 80 -8.121 -5.664 -17.398 1.00 0.00 C ATOM 1309 CG ASP A 80 -8.522 -6.692 -18.440 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -7.665 -7.088 -19.251 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -9.691 -7.125 -18.435 1.00 0.00 O1- ATOM 0 H ASP A 80 -7.787 -3.734 -15.919 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.416 -4.083 -18.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.109 -5.880 -17.054 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.778 -5.758 -16.533 1.00 0.00 H new ATOM 1316 N LYS A 81 -10.500 -3.575 -17.694 1.00 0.00 N ATOM 1317 CA LYS A 81 -11.854 -3.283 -18.160 1.00 0.00 C ATOM 1318 C LYS A 81 -11.941 -1.860 -18.688 1.00 0.00 C ATOM 1319 O LYS A 81 -12.919 -1.483 -19.332 1.00 0.00 O ATOM 1320 CB LYS A 81 -12.876 -3.479 -17.030 1.00 0.00 C ATOM 1321 CG LYS A 81 -12.697 -4.766 -16.241 1.00 0.00 C ATOM 1322 CD LYS A 81 -12.551 -5.967 -17.155 1.00 0.00 C ATOM 1323 CE LYS A 81 -12.212 -7.215 -16.368 1.00 0.00 C ATOM 1324 NZ LYS A 81 -11.791 -8.319 -17.256 1.00 0.00 N ATOM 0 H LYS A 81 -10.368 -3.472 -16.688 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.087 -3.978 -18.967 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.809 -2.634 -16.345 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.879 -3.465 -17.457 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.816 -4.683 -15.605 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.553 -4.912 -15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.478 -6.122 -17.707 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.770 -5.775 -17.891 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.415 -6.993 -15.659 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.079 -7.526 -15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.285 -9.038 -16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.629 -8.749 -17.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.162 -7.948 -17.997 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.914 -1.072 -18.399 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.880 0.302 -18.844 1.00 0.00 C ATOM 1340 C GLY A 82 -11.884 1.165 -18.114 1.00 0.00 C ATOM 1341 O GLY A 82 -12.345 2.173 -18.646 1.00 0.00 O ATOM 0 H GLY A 82 -10.099 -1.365 -17.860 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.879 0.706 -18.693 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.081 0.340 -19.915 1.00 0.00 H new ATOM 1345 N ASP A 83 -12.220 0.773 -16.892 1.00 0.00 N ATOM 1346 CA ASP A 83 -13.193 1.510 -16.097 1.00 0.00 C ATOM 1347 C ASP A 83 -12.491 2.458 -15.141 1.00 0.00 C ATOM 1348 O ASP A 83 -12.057 2.060 -14.059 1.00 0.00 O ATOM 1349 CB ASP A 83 -14.104 0.558 -15.320 1.00 0.00 C ATOM 1350 CG ASP A 83 -15.204 1.298 -14.583 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -15.007 1.650 -13.413 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -16.268 1.537 -15.180 1.00 0.00 O1- ATOM 0 H ASP A 83 -11.834 -0.050 -16.430 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.811 2.092 -16.781 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.549 -0.160 -16.008 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.509 -0.011 -14.606 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.368 3.708 -15.551 1.00 0.00 N ATOM 1358 CA LYS A 84 -11.689 4.717 -14.749 1.00 0.00 C ATOM 1359 C LYS A 84 -12.487 5.058 -13.493 1.00 0.00 C ATOM 1360 O LYS A 84 -11.913 5.435 -12.484 1.00 0.00 O ATOM 1361 CB LYS A 84 -11.426 5.984 -15.584 1.00 0.00 C ATOM 1362 CG LYS A 84 -10.690 7.096 -14.834 1.00 0.00 C ATOM 1363 CD LYS A 84 -10.416 8.290 -15.738 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.782 9.457 -14.979 1.00 0.00 C ATOM 1365 NZ LYS A 84 -8.485 9.091 -14.348 1.00 0.00 N ATOM 0 H LYS A 84 -12.731 4.053 -16.440 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.731 4.303 -14.433 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.844 5.710 -16.464 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.380 6.373 -15.941 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.285 7.415 -13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.749 6.711 -14.442 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.755 7.985 -16.549 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.349 8.620 -16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.626 10.290 -15.665 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.472 9.803 -14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.025 9.947 -13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.654 8.425 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.868 8.645 -15.056 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.803 4.890 -13.551 1.00 0.00 N ATOM 1380 CA ASP A 85 -14.665 5.218 -12.409 1.00 0.00 C ATOM 1381 C ASP A 85 -14.288 4.402 -11.175 1.00 0.00 C ATOM 1382 O ASP A 85 -14.109 4.953 -10.085 1.00 0.00 O ATOM 1383 CB ASP A 85 -16.136 4.991 -12.756 1.00 0.00 C ATOM 1384 CG ASP A 85 -17.058 5.270 -11.586 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -17.474 6.439 -11.410 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -17.378 4.320 -10.840 1.00 0.00 O1- ATOM 0 H ASP A 85 -14.299 4.532 -14.367 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.516 6.273 -12.180 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.412 5.633 -13.593 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.274 3.961 -13.085 1.00 0.00 H new ATOM 1391 N SER A 86 -14.155 3.095 -11.350 1.00 0.00 N ATOM 1392 CA SER A 86 -13.770 2.222 -10.259 1.00 0.00 C ATOM 1393 C SER A 86 -12.321 2.484 -9.884 1.00 0.00 C ATOM 1394 O SER A 86 -11.956 2.425 -8.718 1.00 0.00 O ATOM 1395 CB SER A 86 -13.966 0.747 -10.647 1.00 0.00 C ATOM 1396 OG SER A 86 -13.702 -0.121 -9.551 1.00 0.00 O ATOM 0 H SER A 86 -14.309 2.619 -12.239 1.00 0.00 H new ATOM 0 HA SER A 86 -14.406 2.431 -9.399 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.987 0.594 -10.995 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.305 0.497 -11.477 1.00 0.00 H new ATOM 0 HG SER A 86 -13.837 -1.051 -9.830 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.511 2.795 -10.884 1.00 0.00 N ATOM 1403 CA LEU A 87 -10.100 3.084 -10.679 1.00 0.00 C ATOM 1404 C LEU A 87 -9.906 4.304 -9.780 1.00 0.00 C ATOM 1405 O LEU A 87 -9.100 4.272 -8.847 1.00 0.00 O ATOM 1406 CB LEU A 87 -9.407 3.280 -12.027 1.00 0.00 C ATOM 1407 CG LEU A 87 -9.206 2.001 -12.845 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -8.827 2.311 -14.285 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -8.140 1.150 -12.204 1.00 0.00 C ATOM 0 H LEU A 87 -11.811 2.854 -11.857 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.645 2.233 -10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.991 3.984 -12.620 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.434 3.739 -11.854 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.151 1.458 -12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.693 1.379 -14.835 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.619 2.897 -14.752 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.897 2.880 -14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.000 0.241 -12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.203 1.706 -12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.445 0.887 -11.191 1.00 0.00 H new ATOM 1421 N GLU A 88 -10.653 5.370 -10.054 1.00 0.00 N ATOM 1422 CA GLU A 88 -10.599 6.579 -9.237 1.00 0.00 C ATOM 1423 C GLU A 88 -11.029 6.255 -7.802 1.00 0.00 C ATOM 1424 O GLU A 88 -10.416 6.708 -6.836 1.00 0.00 O ATOM 1425 CB GLU A 88 -11.515 7.662 -9.821 1.00 0.00 C ATOM 1426 CG GLU A 88 -11.181 8.072 -11.254 1.00 0.00 C ATOM 1427 CD GLU A 88 -9.898 8.870 -11.374 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -9.922 10.072 -11.076 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -8.868 8.307 -11.799 1.00 0.00 O1- ATOM 0 H GLU A 88 -11.304 5.421 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.575 6.952 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.544 7.304 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.465 8.545 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.101 7.176 -11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.005 8.662 -11.655 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.083 5.445 -7.684 1.00 0.00 N ATOM 1437 CA GLN A 89 -12.603 5.020 -6.396 1.00 0.00 C ATOM 1438 C GLN A 89 -11.553 4.216 -5.633 1.00 0.00 C ATOM 1439 O GLN A 89 -11.360 4.411 -4.431 1.00 0.00 O ATOM 1440 CB GLN A 89 -13.877 4.184 -6.617 1.00 0.00 C ATOM 1441 CG GLN A 89 -14.545 3.667 -5.349 1.00 0.00 C ATOM 1442 CD GLN A 89 -13.897 2.406 -4.793 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -13.365 1.587 -5.542 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -13.936 2.249 -3.487 1.00 0.00 N ATOM 0 H GLN A 89 -12.595 5.069 -8.482 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.849 5.897 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.598 4.789 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.628 3.332 -7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.516 4.447 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.596 3.465 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.387 2.952 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.515 1.424 -3.060 1.00 0.00 H new ATOM 1453 N LEU A 90 -10.871 3.330 -6.344 1.00 0.00 N ATOM 1454 CA LEU A 90 -9.846 2.484 -5.751 1.00 0.00 C ATOM 1455 C LEU A 90 -8.726 3.318 -5.167 1.00 0.00 C ATOM 1456 O LEU A 90 -8.179 2.982 -4.128 1.00 0.00 O ATOM 1457 CB LEU A 90 -9.292 1.504 -6.784 1.00 0.00 C ATOM 1458 CG LEU A 90 -10.275 0.444 -7.277 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -9.670 -0.363 -8.401 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.681 -0.468 -6.138 1.00 0.00 C ATOM 0 H LEU A 90 -11.011 3.178 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.307 1.916 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.936 2.072 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.427 1.000 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.163 0.950 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.386 -1.112 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.420 0.299 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.766 -0.859 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.382 -1.218 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.797 -0.963 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.157 0.120 -5.353 1.00 0.00 H new ATOM 1472 N LEU A 91 -8.399 4.411 -5.834 1.00 0.00 N ATOM 1473 CA LEU A 91 -7.359 5.308 -5.361 1.00 0.00 C ATOM 1474 C LEU A 91 -7.762 5.946 -4.033 1.00 0.00 C ATOM 1475 O LEU A 91 -6.925 6.145 -3.150 1.00 0.00 O ATOM 1476 CB LEU A 91 -7.070 6.380 -6.409 1.00 0.00 C ATOM 1477 CG LEU A 91 -6.521 5.857 -7.738 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -6.482 6.963 -8.771 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -5.134 5.261 -7.545 1.00 0.00 C ATOM 0 H LEU A 91 -8.840 4.699 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.449 4.730 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.990 6.931 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.355 7.090 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.187 5.073 -8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.089 6.571 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.490 7.346 -8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.840 7.769 -8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.759 4.894 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.460 6.026 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.188 4.435 -6.836 1.00 0.00 H new ATOM 1491 N GLU A 92 -9.042 6.268 -3.902 1.00 0.00 N ATOM 1492 CA GLU A 92 -9.568 6.837 -2.666 1.00 0.00 C ATOM 1493 C GLU A 92 -9.605 5.779 -1.566 1.00 0.00 C ATOM 1494 O GLU A 92 -9.200 6.031 -0.430 1.00 0.00 O ATOM 1495 CB GLU A 92 -10.969 7.387 -2.887 1.00 0.00 C ATOM 1496 CG GLU A 92 -11.061 8.424 -3.987 1.00 0.00 C ATOM 1497 CD GLU A 92 -12.444 9.004 -4.096 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -12.696 10.070 -3.492 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.300 8.389 -4.761 1.00 0.00 O1- ATOM 0 H GLU A 92 -9.738 6.145 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.909 7.650 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.639 6.560 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.325 7.828 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.346 9.224 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.781 7.970 -4.938 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.086 4.593 -1.924 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.175 3.469 -0.995 1.00 0.00 C ATOM 1508 C GLU A 93 -8.775 3.083 -0.521 1.00 0.00 C ATOM 1509 O GLU A 93 -8.574 2.657 0.618 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.858 2.273 -1.668 1.00 0.00 C ATOM 1511 CG GLU A 93 -11.407 1.251 -0.688 1.00 0.00 C ATOM 1512 CD GLU A 93 -11.911 -0.008 -1.361 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -11.441 -1.102 -0.996 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -12.786 0.079 -2.249 1.00 0.00 O1- ATOM 0 H GLU A 93 -10.424 4.383 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.774 3.766 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.673 2.637 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.143 1.782 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.627 0.986 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.220 1.702 -0.120 1.00 0.00 H new ATOM 1521 N LEU A 94 -7.820 3.251 -1.418 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.424 2.945 -1.169 1.00 0.00 C ATOM 1523 C LEU A 94 -5.889 3.775 0.000 1.00 0.00 C ATOM 1524 O LEU A 94 -5.218 3.248 0.889 1.00 0.00 O ATOM 1525 CB LEU A 94 -5.636 3.253 -2.445 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.139 2.987 -2.428 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -3.858 1.509 -2.238 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -3.521 3.485 -3.720 1.00 0.00 C ATOM 0 H LEU A 94 -7.997 3.610 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.316 1.893 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.072 2.672 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.788 4.305 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.694 3.523 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.781 1.342 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.285 1.176 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.306 0.945 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.448 3.294 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.972 2.963 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.698 4.556 -3.819 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.201 5.067 0.001 1.00 0.00 N ATOM 1541 CA GLU A 95 -5.777 5.955 1.081 1.00 0.00 C ATOM 1542 C GLU A 95 -6.420 5.554 2.403 1.00 0.00 C ATOM 1543 O GLU A 95 -5.773 5.575 3.452 1.00 0.00 O ATOM 1544 CB GLU A 95 -6.103 7.408 0.752 1.00 0.00 C ATOM 1545 CG GLU A 95 -5.340 7.941 -0.444 1.00 0.00 C ATOM 1546 CD GLU A 95 -5.624 9.397 -0.709 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -6.492 9.690 -1.552 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -4.971 10.258 -0.082 1.00 0.00 O1- ATOM 0 H GLU A 95 -6.745 5.523 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.696 5.859 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.172 7.498 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.881 8.028 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.271 7.807 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.601 7.357 -1.327 1.00 0.00 H new ATOM 1555 N GLN A 96 -7.690 5.170 2.341 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.419 4.732 3.527 1.00 0.00 C ATOM 1557 C GLN A 96 -7.756 3.494 4.116 1.00 0.00 C ATOM 1558 O GLN A 96 -7.640 3.352 5.337 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.872 4.423 3.178 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.618 5.589 2.554 1.00 0.00 C ATOM 1561 CD GLN A 96 -12.039 5.232 2.180 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -12.345 4.082 1.864 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.918 6.207 2.222 1.00 0.00 N ATOM 0 H GLN A 96 -8.238 5.153 1.481 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.400 5.536 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.898 3.578 2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.394 4.113 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.629 6.425 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.084 5.924 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.625 7.147 2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.894 6.024 1.988 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.319 2.604 3.237 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.640 1.391 3.646 1.00 0.00 C ATOM 1574 C ALA A 97 -5.287 1.717 4.276 1.00 0.00 C ATOM 1575 O ALA A 97 -4.879 1.085 5.248 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.479 0.449 2.464 1.00 0.00 C ATOM 0 H ALA A 97 -7.426 2.704 2.228 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.248 0.890 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.967 -0.457 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.461 0.190 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.893 0.938 1.686 1.00 0.00 H new ATOM 1582 N LEU A 98 -4.603 2.722 3.723 1.00 0.00 N ATOM 1583 CA LEU A 98 -3.315 3.169 4.259 1.00 0.00 C ATOM 1584 C LEU A 98 -3.491 3.700 5.669 1.00 0.00 C ATOM 1585 O LEU A 98 -2.655 3.468 6.546 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.709 4.263 3.374 1.00 0.00 C ATOM 1587 CG LEU A 98 -2.226 3.819 1.998 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -1.818 5.025 1.168 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -1.061 2.852 2.134 1.00 0.00 C ATOM 0 H LEU A 98 -4.920 3.241 2.904 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.639 2.314 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.453 5.048 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.868 4.709 3.906 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.044 3.308 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.475 4.693 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.673 5.690 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.012 5.558 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.727 2.543 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.240 3.342 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.379 1.976 2.699 1.00 0.00 H new ATOM 1601 N GLN A 99 -4.591 4.403 5.881 1.00 0.00 N ATOM 1602 CA GLN A 99 -4.923 4.943 7.173 1.00 0.00 C ATOM 1603 C GLN A 99 -5.119 3.799 8.167 1.00 0.00 C ATOM 1604 O GLN A 99 -4.593 3.825 9.282 1.00 0.00 O ATOM 1605 CB GLN A 99 -6.204 5.768 7.053 1.00 0.00 C ATOM 1606 CG GLN A 99 -6.552 6.552 8.289 1.00 0.00 C ATOM 1607 CD GLN A 99 -5.536 7.628 8.592 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -4.559 7.392 9.299 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -5.750 8.812 8.051 1.00 0.00 N ATOM 0 H GLN A 99 -5.276 4.612 5.155 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.116 5.583 7.530 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.101 6.458 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.032 5.100 6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.534 7.008 8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.623 5.873 9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.574 8.966 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.091 9.574 8.214 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.839 2.776 7.721 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.126 1.599 8.531 1.00 0.00 C ATOM 1620 C LYS A 100 -4.838 0.873 8.921 1.00 0.00 C ATOM 1621 O LYS A 100 -4.681 0.443 10.065 1.00 0.00 O ATOM 1622 CB LYS A 100 -7.068 0.657 7.757 1.00 0.00 C ATOM 1623 CG LYS A 100 -7.410 -0.644 8.474 1.00 0.00 C ATOM 1624 CD LYS A 100 -8.472 -1.428 7.708 1.00 0.00 C ATOM 1625 CE LYS A 100 -8.812 -2.751 8.391 1.00 0.00 C ATOM 1626 NZ LYS A 100 -7.718 -3.747 8.267 1.00 0.00 N ATOM 0 H LYS A 100 -6.241 2.740 6.784 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.616 1.918 9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.994 1.190 7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.609 0.416 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.511 -1.251 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.769 -0.426 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.375 -0.824 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.118 -1.623 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.018 -2.570 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.723 -3.159 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.995 -4.628 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.538 -3.941 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.854 -3.371 8.707 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.911 0.757 7.974 1.00 0.00 N ATOM 1641 CA ILE A 101 -2.646 0.072 8.223 1.00 0.00 C ATOM 1642 C ILE A 101 -1.826 0.788 9.296 1.00 0.00 C ATOM 1643 O ILE A 101 -1.350 0.161 10.237 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.787 -0.038 6.935 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.508 -0.869 5.873 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -0.419 -0.642 7.247 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.740 -0.984 4.571 1.00 0.00 C ATOM 0 H ILE A 101 -4.012 1.128 7.029 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.904 -0.929 8.568 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.637 0.967 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.691 -1.869 6.267 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.482 -0.422 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.166 -0.710 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.103 -0.009 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.549 -1.639 7.669 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.310 -1.587 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.580 0.010 4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.777 -1.458 4.758 1.00 0.00 H new ATOM 1659 N ARG A 102 -1.701 2.105 9.171 1.00 0.00 N ATOM 1660 CA ARG A 102 -0.880 2.880 10.100 1.00 0.00 C ATOM 1661 C ARG A 102 -1.406 2.794 11.520 1.00 0.00 C ATOM 1662 O ARG A 102 -0.647 2.554 12.458 1.00 0.00 O ATOM 1663 CB ARG A 102 -0.804 4.346 9.682 1.00 0.00 C ATOM 1664 CG ARG A 102 -0.257 4.577 8.288 1.00 0.00 C ATOM 1665 CD ARG A 102 -0.034 6.057 8.033 1.00 0.00 C ATOM 1666 NE ARG A 102 -1.212 6.859 8.379 1.00 0.00 N ATOM 1667 CZ ARG A 102 -1.191 8.181 8.576 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -0.058 8.858 8.457 1.00 0.00 N ATOM 1669 NH2 ARG A 102 -2.304 8.818 8.905 1.00 0.00 N ATOM 0 H ARG A 102 -2.153 2.657 8.442 1.00 0.00 H new ATOM 0 HA ARG A 102 0.119 2.445 10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.802 4.780 9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.179 4.882 10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.682 4.037 8.167 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.952 4.177 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.821 6.400 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.213 6.210 6.982 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.106 6.377 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.804 8.370 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.048 9.867 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.177 8.300 9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.289 9.827 9.056 1.00 0.00 H new ATOM 1683 N GLU A 103 -2.705 2.970 11.673 1.00 0.00 N ATOM 1684 CA GLU A 103 -3.313 2.969 12.988 1.00 0.00 C ATOM 1685 C GLU A 103 -3.208 1.602 13.661 1.00 0.00 C ATOM 1686 O GLU A 103 -2.863 1.511 14.836 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.770 3.429 12.910 1.00 0.00 C ATOM 1688 CG GLU A 103 -4.932 4.803 12.275 1.00 0.00 C ATOM 1689 CD GLU A 103 -6.334 5.351 12.399 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.231 4.897 11.654 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.547 6.248 13.239 1.00 0.00 O1- ATOM 0 H GLU A 103 -3.358 3.115 10.903 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.760 3.677 13.606 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.344 2.701 12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.192 3.448 13.915 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.234 5.497 12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.664 4.743 11.220 1.00 0.00 H new ATOM 1698 N LEU A 104 -3.480 0.546 12.910 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.443 -0.808 13.462 1.00 0.00 C ATOM 1700 C LEU A 104 -2.017 -1.295 13.714 1.00 0.00 C ATOM 1701 O LEU A 104 -1.739 -1.905 14.747 1.00 0.00 O ATOM 1702 CB LEU A 104 -4.167 -1.784 12.537 1.00 0.00 C ATOM 1703 CG LEU A 104 -5.666 -1.549 12.367 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -6.242 -2.536 11.374 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -6.381 -1.663 13.704 1.00 0.00 C ATOM 0 H LEU A 104 -3.728 0.595 11.922 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.954 -0.770 14.424 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.698 -1.740 11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.017 -2.795 12.917 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.816 -0.540 11.983 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.311 -2.357 11.262 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.750 -2.411 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.080 -3.552 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.448 -1.492 13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.225 -2.660 14.116 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.983 -0.919 14.394 1.00 0.00 H new ATOM 1717 N ALA A 105 -1.114 -1.014 12.785 1.00 0.00 N ATOM 1718 CA ALA A 105 0.261 -1.487 12.903 1.00 0.00 C ATOM 1719 C ALA A 105 1.013 -0.785 14.024 1.00 0.00 C ATOM 1720 O ALA A 105 1.922 -1.359 14.616 1.00 0.00 O ATOM 1721 CB ALA A 105 1.003 -1.320 11.584 1.00 0.00 C ATOM 0 H ALA A 105 -1.305 -0.465 11.947 1.00 0.00 H new ATOM 0 HA ALA A 105 0.215 -2.547 13.152 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.026 -1.679 11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.499 -1.895 10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.016 -0.266 11.305 1.00 0.00 H new ATOM 1727 N GLU A 106 0.630 0.447 14.326 1.00 0.00 N ATOM 1728 CA GLU A 106 1.295 1.199 15.382 1.00 0.00 C ATOM 1729 C GLU A 106 0.599 0.999 16.728 1.00 0.00 C ATOM 1730 O GLU A 106 1.226 1.106 17.787 1.00 0.00 O ATOM 1731 CB GLU A 106 1.306 2.693 15.040 1.00 0.00 C ATOM 1732 CG GLU A 106 1.990 3.558 16.087 1.00 0.00 C ATOM 1733 CD GLU A 106 1.538 4.997 16.041 1.00 0.00 C ATOM 1734 OE1 GLU A 106 0.487 5.313 16.652 1.00 0.00 O ATOM 1735 OE2 GLU A 106 2.226 5.820 15.419 1.00 0.00 O1- ATOM 0 H GLU A 106 -0.130 0.944 13.861 1.00 0.00 H new ATOM 0 HA GLU A 106 2.317 0.829 15.458 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.808 2.833 14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.279 3.035 14.915 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.788 3.150 17.077 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.069 3.516 15.938 1.00 0.00 H new ATOM 1742 N LYS A 107 -0.671 0.658 16.692 1.00 0.00 N ATOM 1743 CA LYS A 107 -1.434 0.538 17.913 1.00 0.00 C ATOM 1744 C LYS A 107 -2.092 -0.821 18.034 1.00 0.00 C ATOM 1745 O LYS A 107 -3.190 -1.049 17.525 1.00 0.00 O ATOM 1746 CB LYS A 107 -2.477 1.656 18.004 1.00 0.00 C ATOM 1747 CG LYS A 107 -3.215 1.728 19.331 1.00 0.00 C ATOM 1748 CD LYS A 107 -4.190 2.892 19.346 1.00 0.00 C ATOM 1749 CE LYS A 107 -4.887 3.034 20.690 1.00 0.00 C ATOM 1750 NZ LYS A 107 -5.732 1.857 21.017 1.00 0.00 N ATOM 0 H LYS A 107 -1.192 0.461 15.838 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.740 0.638 18.747 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.983 2.611 17.826 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.206 1.521 17.205 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.753 0.796 19.504 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.498 1.838 20.145 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.657 3.814 19.115 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.936 2.750 18.564 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.139 3.169 21.471 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.506 3.931 20.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.264 2.044 21.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.397 1.680 20.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.127 1.022 21.152 1.00 0.00 H new