USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 560 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 30 HIS : no HD1:sc= -0.832 X(o=-3.5,f=-3.1) USER MOD Set 1.2: A 41 MET CE :methyl -160:sc= -2.64 (180deg=-2.42) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0623 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.4) USER MOD Single : A 25 GLN : amide:sc= -0.0857 K(o=-0.086,f=-1.6!) USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.157 USER MOD Single : A 39 THR OG1 : rot 133:sc= 0.0264 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.4!) USER MOD Single : A 54 LYS NZ :NH3+ -116:sc= 1.05 (180deg=0.122) USER MOD Single : A 55 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.67) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 67 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.586 -12.812 -0.251 1.00 0.00 N ATOM 67 CA PRO A 8 -3.642 -11.880 -1.381 1.00 0.00 C ATOM 68 C PRO A 8 -2.646 -10.734 -1.238 1.00 0.00 C ATOM 69 O PRO A 8 -2.372 -10.271 -0.131 1.00 0.00 O ATOM 70 CB PRO A 8 -5.077 -11.349 -1.332 1.00 0.00 C ATOM 71 CG PRO A 8 -5.490 -11.502 0.091 1.00 0.00 C ATOM 72 CD PRO A 8 -4.789 -12.733 0.596 1.00 0.00 C ATOM 0 HA PRO A 8 -3.384 -12.365 -2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.124 -10.307 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.731 -11.914 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.209 -10.626 0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.572 -11.607 0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.532 -12.645 1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.412 -13.621 0.493 1.00 0.00 H new ATOM 80 N LYS A 9 -2.108 -10.280 -2.364 1.00 0.00 N ATOM 81 CA LYS A 9 -1.142 -9.187 -2.366 1.00 0.00 C ATOM 82 C LYS A 9 -1.840 -7.846 -2.165 1.00 0.00 C ATOM 83 O LYS A 9 -2.615 -7.405 -3.013 1.00 0.00 O ATOM 84 CB LYS A 9 -0.358 -9.175 -3.679 1.00 0.00 C ATOM 85 CG LYS A 9 0.858 -8.264 -3.653 1.00 0.00 C ATOM 86 CD LYS A 9 0.499 -6.843 -4.054 1.00 0.00 C ATOM 87 CE LYS A 9 0.322 -6.717 -5.560 1.00 0.00 C ATOM 88 NZ LYS A 9 0.451 -5.307 -6.017 1.00 0.00 N ATOM 0 H LYS A 9 -2.324 -10.652 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.450 -9.344 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.036 -10.191 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.020 -8.860 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.291 -8.262 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.619 -8.653 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.421 -6.544 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.281 -6.161 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.066 -7.332 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.657 -7.103 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.324 -5.263 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.275 -4.724 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.394 -4.947 -5.769 1.00 0.00 H new ATOM 102 N ALA A 10 -1.559 -7.201 -1.037 1.00 0.00 N ATOM 103 CA ALA A 10 -2.156 -5.908 -0.727 1.00 0.00 C ATOM 104 C ALA A 10 -1.816 -4.876 -1.796 1.00 0.00 C ATOM 105 O ALA A 10 -0.672 -4.441 -1.933 1.00 0.00 O ATOM 106 CB ALA A 10 -1.693 -5.427 0.640 1.00 0.00 C ATOM 0 H ALA A 10 -0.922 -7.553 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.239 -6.031 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.147 -4.460 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.993 -6.148 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.608 -5.327 0.642 1.00 0.00 H new ATOM 112 N PRO A 11 -2.831 -4.473 -2.575 1.00 0.00 N ATOM 113 CA PRO A 11 -2.663 -3.486 -3.647 1.00 0.00 C ATOM 114 C PRO A 11 -2.392 -2.086 -3.108 1.00 0.00 C ATOM 115 O PRO A 11 -2.943 -1.687 -2.081 1.00 0.00 O ATOM 116 CB PRO A 11 -4.007 -3.526 -4.379 1.00 0.00 C ATOM 117 CG PRO A 11 -4.982 -4.004 -3.357 1.00 0.00 C ATOM 118 CD PRO A 11 -4.220 -4.948 -2.469 1.00 0.00 C ATOM 0 HA PRO A 11 -1.808 -3.716 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.281 -2.541 -4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.971 -4.198 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.387 -3.170 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.826 -4.507 -3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.580 -4.910 -1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.318 -5.981 -2.803 1.00 0.00 H new ATOM 126 N VAL A 12 -1.542 -1.342 -3.808 1.00 0.00 N ATOM 127 CA VAL A 12 -1.198 0.015 -3.400 1.00 0.00 C ATOM 128 C VAL A 12 -2.430 0.914 -3.390 1.00 0.00 C ATOM 129 O VAL A 12 -3.388 0.682 -4.128 1.00 0.00 O ATOM 130 CB VAL A 12 -0.136 0.629 -4.332 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.048 -0.315 -4.486 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.743 0.962 -5.685 1.00 0.00 C ATOM 0 H VAL A 12 -1.079 -1.656 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.791 -0.051 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 12 0.224 1.555 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.788 0.135 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.497 -0.498 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.708 -1.259 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.022 1.395 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.132 0.053 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.554 1.678 -5.554 1.00 0.00 H new ATOM 142 N THR A 13 -2.398 1.943 -2.549 1.00 0.00 N ATOM 143 CA THR A 13 -3.511 2.877 -2.442 1.00 0.00 C ATOM 144 C THR A 13 -3.409 3.978 -3.493 1.00 0.00 C ATOM 145 O THR A 13 -2.317 4.315 -3.948 1.00 0.00 O ATOM 146 CB THR A 13 -3.572 3.521 -1.044 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.552 4.565 -1.027 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.215 4.086 -0.649 1.00 0.00 C ATOM 0 H THR A 13 -1.613 2.150 -1.932 1.00 0.00 H new ATOM 0 HA THR A 13 -4.422 2.303 -2.609 1.00 0.00 H new ATOM 0 HB THR A 13 -3.851 2.750 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.585 4.968 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.282 4.536 0.342 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.477 3.284 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.912 4.844 -1.372 1.00 0.00 H new ATOM 156 N GLY A 14 -4.555 4.536 -3.872 1.00 0.00 N ATOM 157 CA GLY A 14 -4.570 5.593 -4.867 1.00 0.00 C ATOM 158 C GLY A 14 -3.539 6.668 -4.586 1.00 0.00 C ATOM 159 O GLY A 14 -3.171 7.432 -5.478 1.00 0.00 O ATOM 0 H GLY A 14 -5.472 4.276 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.384 5.164 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.562 6.044 -4.898 1.00 0.00 H new ATOM 163 N TYR A 15 -3.072 6.728 -3.344 1.00 0.00 N ATOM 164 CA TYR A 15 -2.080 7.720 -2.948 1.00 0.00 C ATOM 165 C TYR A 15 -0.685 7.309 -3.408 1.00 0.00 C ATOM 166 O TYR A 15 0.139 8.154 -3.760 1.00 0.00 O ATOM 167 CB TYR A 15 -2.094 7.907 -1.430 1.00 0.00 C ATOM 168 CG TYR A 15 -0.858 8.594 -0.893 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.440 9.816 -1.407 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.110 8.022 0.128 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.689 10.445 -0.920 1.00 0.00 C ATOM 172 CE2 TYR A 15 1.020 8.646 0.623 1.00 0.00 C ATOM 173 CZ TYR A 15 1.415 9.857 0.095 1.00 0.00 C ATOM 174 OH TYR A 15 2.540 10.483 0.583 1.00 0.00 O ATOM 0 H TYR A 15 -3.365 6.101 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.337 8.665 -3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.973 8.489 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.194 6.932 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.007 10.281 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.417 7.073 0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.002 11.393 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.590 8.188 1.418 1.00 0.00 H new ATOM 0 HH TYR A 15 2.935 9.938 1.295 1.00 0.00 H new ATOM 184 N VAL A 16 -0.427 6.005 -3.403 1.00 0.00 N ATOM 185 CA VAL A 16 0.866 5.479 -3.822 1.00 0.00 C ATOM 186 C VAL A 16 0.995 5.481 -5.342 1.00 0.00 C ATOM 187 O VAL A 16 1.970 5.993 -5.891 1.00 0.00 O ATOM 188 CB VAL A 16 1.086 4.047 -3.300 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.200 3.361 -4.075 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.395 4.065 -1.810 1.00 0.00 C ATOM 0 H VAL A 16 -1.097 5.293 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 16 1.626 6.133 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 16 0.168 3.479 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.341 2.350 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.934 3.315 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.125 3.925 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.548 3.045 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.298 4.649 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.561 4.514 -1.271 1.00 0.00 H new ATOM 200 N ARG A 17 0.004 4.904 -6.013 1.00 0.00 N ATOM 201 CA ARG A 17 0.006 4.838 -7.470 1.00 0.00 C ATOM 202 C ARG A 17 0.567 6.123 -8.072 1.00 0.00 C ATOM 203 O ARG A 17 1.262 6.093 -9.088 1.00 0.00 O ATOM 204 CB ARG A 17 -1.411 4.593 -7.992 1.00 0.00 C ATOM 205 CG ARG A 17 -1.756 3.122 -8.151 1.00 0.00 C ATOM 206 CD ARG A 17 -3.243 2.874 -7.957 1.00 0.00 C ATOM 207 NE ARG A 17 -3.713 1.728 -8.732 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.741 1.702 -10.059 1.00 0.00 C ATOM 209 NH1 ARG A 17 -3.329 2.750 -10.757 1.00 0.00 N ATOM 210 NH2 ARG A 17 -4.183 0.622 -10.693 1.00 0.00 N ATOM 0 H ARG A 17 -0.810 4.476 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 17 0.645 4.008 -7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.125 5.053 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.525 5.090 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.456 2.782 -9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.191 2.534 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.447 2.705 -6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.800 3.763 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.037 0.904 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.988 3.582 -10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.353 2.725 -11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.501 -0.188 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.204 0.602 -11.713 1.00 0.00 H new ATOM 224 N PHE A 18 0.261 7.250 -7.437 1.00 0.00 N ATOM 225 CA PHE A 18 0.733 8.546 -7.912 1.00 0.00 C ATOM 226 C PHE A 18 2.209 8.741 -7.580 1.00 0.00 C ATOM 227 O PHE A 18 2.973 9.278 -8.384 1.00 0.00 O ATOM 228 CB PHE A 18 -0.095 9.672 -7.289 1.00 0.00 C ATOM 229 CG PHE A 18 0.526 11.031 -7.449 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.398 11.525 -6.493 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.236 11.813 -8.555 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.971 12.775 -6.637 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.807 13.063 -8.705 1.00 0.00 C ATOM 234 CZ PHE A 18 1.674 13.546 -7.744 1.00 0.00 C ATOM 0 H PHE A 18 -0.311 7.292 -6.593 1.00 0.00 H new ATOM 0 HA PHE A 18 0.616 8.574 -8.995 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.086 9.678 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.233 9.467 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.633 10.927 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.443 11.442 -9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.650 13.148 -5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.575 13.662 -9.573 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.118 14.524 -7.858 1.00 0.00 H new ATOM 244 N LEU A 19 2.605 8.303 -6.390 1.00 0.00 N ATOM 245 CA LEU A 19 3.991 8.429 -5.950 1.00 0.00 C ATOM 246 C LEU A 19 4.928 7.660 -6.876 1.00 0.00 C ATOM 247 O LEU A 19 6.022 8.125 -7.192 1.00 0.00 O ATOM 248 CB LEU A 19 4.139 7.918 -4.516 1.00 0.00 C ATOM 249 CG LEU A 19 3.504 8.783 -3.427 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.537 8.062 -2.087 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.212 10.125 -3.329 1.00 0.00 C ATOM 0 H LEU A 19 1.986 7.857 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 19 4.263 9.484 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.703 6.921 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.202 7.814 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 19 2.463 8.964 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.081 8.692 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.983 7.126 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.571 7.850 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.746 10.726 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.262 9.965 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.136 10.647 -4.283 1.00 0.00 H new ATOM 263 N ASN A 20 4.490 6.483 -7.308 1.00 0.00 N ATOM 264 CA ASN A 20 5.290 5.650 -8.199 1.00 0.00 C ATOM 265 C ASN A 20 5.505 6.341 -9.543 1.00 0.00 C ATOM 266 O ASN A 20 6.591 6.843 -9.825 1.00 0.00 O ATOM 267 CB ASN A 20 4.609 4.296 -8.414 1.00 0.00 C ATOM 268 CG ASN A 20 4.653 3.425 -7.173 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.428 3.676 -6.251 1.00 0.00 O ATOM 270 ND2 ASN A 20 3.817 2.394 -7.145 1.00 0.00 N ATOM 0 H ASN A 20 3.586 6.084 -7.056 1.00 0.00 H new ATOM 0 HA ASN A 20 6.262 5.491 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.571 4.456 -8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.095 3.774 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.800 1.773 -6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.191 2.223 -7.932 1.00 0.00 H new ATOM 277 N GLU A 21 4.460 6.364 -10.365 1.00 0.00 N ATOM 278 CA GLU A 21 4.536 6.993 -11.678 1.00 0.00 C ATOM 279 C GLU A 21 5.315 8.304 -11.609 1.00 0.00 C ATOM 280 O GLU A 21 6.210 8.550 -12.417 1.00 0.00 O ATOM 281 CB GLU A 21 3.131 7.250 -12.227 1.00 0.00 C ATOM 282 CG GLU A 21 3.084 7.386 -13.740 1.00 0.00 C ATOM 283 CD GLU A 21 3.377 6.081 -14.453 1.00 0.00 C ATOM 284 OE1 GLU A 21 3.324 5.021 -13.793 1.00 0.00 O ATOM 285 OE2 GLU A 21 3.658 6.118 -15.669 1.00 0.00 O ATOM 0 H GLU A 21 3.552 5.955 -10.145 1.00 0.00 H new ATOM 0 HA GLU A 21 5.061 6.313 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.476 6.433 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.735 8.160 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.099 7.745 -14.038 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.807 8.138 -14.056 1.00 0.00 H new ATOM 292 N ARG A 22 4.966 9.142 -10.638 1.00 0.00 N ATOM 293 CA ARG A 22 5.629 10.428 -10.463 1.00 0.00 C ATOM 294 C ARG A 22 7.108 10.237 -10.138 1.00 0.00 C ATOM 295 O ARG A 22 7.977 10.819 -10.788 1.00 0.00 O ATOM 296 CB ARG A 22 4.951 11.229 -9.351 1.00 0.00 C ATOM 297 CG ARG A 22 3.595 11.791 -9.745 1.00 0.00 C ATOM 298 CD ARG A 22 3.734 13.101 -10.504 1.00 0.00 C ATOM 299 NE ARG A 22 2.491 13.483 -11.170 1.00 0.00 N ATOM 300 CZ ARG A 22 2.384 14.530 -11.981 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.439 15.295 -12.225 1.00 0.00 N ATOM 302 NH2 ARG A 22 1.219 14.813 -12.550 1.00 0.00 N ATOM 0 H ARG A 22 4.227 8.953 -9.960 1.00 0.00 H new ATOM 0 HA ARG A 22 5.548 10.980 -11.399 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.830 10.590 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.604 12.051 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.065 11.066 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.992 11.949 -8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.032 13.890 -9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.528 13.008 -11.245 1.00 0.00 H new ATOM 0 HE ARG A 22 1.660 12.915 -11.003 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.336 15.080 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.354 16.098 -12.848 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.405 14.227 -12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.137 15.617 -13.172 1.00 0.00 H new ATOM 316 N ARG A 23 7.385 9.418 -9.129 1.00 0.00 N ATOM 317 CA ARG A 23 8.759 9.152 -8.717 1.00 0.00 C ATOM 318 C ARG A 23 9.689 9.102 -9.925 1.00 0.00 C ATOM 319 O ARG A 23 10.867 9.443 -9.827 1.00 0.00 O ATOM 320 CB ARG A 23 8.835 7.832 -7.946 1.00 0.00 C ATOM 321 CG ARG A 23 10.255 7.407 -7.607 1.00 0.00 C ATOM 322 CD ARG A 23 10.846 6.525 -8.695 1.00 0.00 C ATOM 323 NE ARG A 23 10.132 5.258 -8.821 1.00 0.00 N ATOM 324 CZ ARG A 23 10.610 4.206 -9.478 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.798 4.271 -10.063 1.00 0.00 N ATOM 326 NH2 ARG A 23 9.900 3.088 -9.549 1.00 0.00 N ATOM 0 H ARG A 23 6.678 8.927 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 23 9.081 9.965 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.263 7.926 -7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.361 7.048 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.879 8.291 -7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.259 6.869 -6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.815 7.055 -9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.895 6.329 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 23 9.216 5.175 -8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.347 5.129 -10.009 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.163 3.463 -10.567 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.986 3.035 -9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.268 2.281 -10.053 1.00 0.00 H new ATOM 340 N GLU A 24 9.151 8.674 -11.062 1.00 0.00 N ATOM 341 CA GLU A 24 9.934 8.578 -12.289 1.00 0.00 C ATOM 342 C GLU A 24 10.251 9.965 -12.842 1.00 0.00 C ATOM 343 O GLU A 24 11.393 10.258 -13.193 1.00 0.00 O ATOM 344 CB GLU A 24 9.182 7.759 -13.339 1.00 0.00 C ATOM 345 CG GLU A 24 9.837 7.776 -14.709 1.00 0.00 C ATOM 346 CD GLU A 24 8.840 7.583 -15.836 1.00 0.00 C ATOM 347 OE1 GLU A 24 7.723 8.133 -15.740 1.00 0.00 O ATOM 348 OE2 GLU A 24 9.177 6.882 -16.812 1.00 0.00 O ATOM 0 H GLU A 24 8.177 8.388 -11.160 1.00 0.00 H new ATOM 0 HA GLU A 24 10.872 8.076 -12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.105 6.727 -12.996 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.166 8.143 -13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.357 8.724 -14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.590 6.990 -14.757 1.00 0.00 H new ATOM 355 N GLN A 25 9.230 10.813 -12.916 1.00 0.00 N ATOM 356 CA GLN A 25 9.399 12.168 -13.427 1.00 0.00 C ATOM 357 C GLN A 25 10.480 12.912 -12.650 1.00 0.00 C ATOM 358 O GLN A 25 11.281 13.646 -13.231 1.00 0.00 O ATOM 359 CB GLN A 25 8.078 12.935 -13.348 1.00 0.00 C ATOM 360 CG GLN A 25 7.046 12.476 -14.367 1.00 0.00 C ATOM 361 CD GLN A 25 7.246 13.114 -15.727 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.815 14.200 -15.839 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.778 12.440 -16.772 1.00 0.00 N ATOM 0 H GLN A 25 8.278 10.586 -12.629 1.00 0.00 H new ATOM 0 HA GLN A 25 9.709 12.099 -14.470 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.662 12.824 -12.347 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.275 13.997 -13.495 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.097 11.392 -14.467 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.048 12.715 -14.001 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.313 11.543 -16.633 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.884 12.820 -17.713 1.00 0.00 H new ATOM 372 N ILE A 26 10.495 12.719 -11.335 1.00 0.00 N ATOM 373 CA ILE A 26 11.478 13.373 -10.480 1.00 0.00 C ATOM 374 C ILE A 26 12.879 12.831 -10.740 1.00 0.00 C ATOM 375 O ILE A 26 13.788 13.579 -11.099 1.00 0.00 O ATOM 376 CB ILE A 26 11.136 13.188 -8.989 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.694 13.620 -8.717 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.105 13.980 -8.122 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.443 15.089 -8.981 1.00 0.00 C ATOM 0 H ILE A 26 9.839 12.116 -10.839 1.00 0.00 H new ATOM 0 HA ILE A 26 11.452 14.435 -10.722 1.00 0.00 H new ATOM 0 HB ILE A 26 11.232 12.132 -8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.022 13.028 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.446 13.398 -7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.851 13.840 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.122 13.630 -8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.037 15.038 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.400 15.324 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.089 15.689 -8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.658 15.313 -10.026 1.00 0.00 H new ATOM 391 N ARG A 27 13.046 11.525 -10.556 1.00 0.00 N ATOM 392 CA ARG A 27 14.337 10.882 -10.771 1.00 0.00 C ATOM 393 C ARG A 27 15.068 11.514 -11.952 1.00 0.00 C ATOM 394 O ARG A 27 16.276 11.746 -11.896 1.00 0.00 O ATOM 395 CB ARG A 27 14.150 9.384 -11.016 1.00 0.00 C ATOM 396 CG ARG A 27 14.147 8.555 -9.742 1.00 0.00 C ATOM 397 CD ARG A 27 15.541 8.450 -9.142 1.00 0.00 C ATOM 398 NE ARG A 27 15.542 7.704 -7.887 1.00 0.00 N ATOM 399 CZ ARG A 27 16.646 7.389 -7.220 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.833 7.754 -7.686 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.566 6.708 -6.084 1.00 0.00 N ATOM 0 H ARG A 27 12.304 10.892 -10.259 1.00 0.00 H new ATOM 0 HA ARG A 27 14.940 11.024 -9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.210 9.225 -11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.947 9.029 -11.669 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.470 9.005 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.766 7.557 -9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.206 7.962 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.938 9.451 -8.969 1.00 0.00 H new ATOM 0 HE ARG A 27 14.645 7.409 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.899 8.278 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.680 7.511 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.655 6.426 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.415 6.467 -5.573 1.00 0.00 H new ATOM 415 N THR A 28 14.329 11.789 -13.021 1.00 0.00 N ATOM 416 CA THR A 28 14.907 12.392 -14.216 1.00 0.00 C ATOM 417 C THR A 28 15.534 13.745 -13.901 1.00 0.00 C ATOM 418 O THR A 28 16.663 14.025 -14.305 1.00 0.00 O ATOM 419 CB THR A 28 13.849 12.575 -15.321 1.00 0.00 C ATOM 420 OG1 THR A 28 13.140 11.347 -15.528 1.00 0.00 O ATOM 421 CG2 THR A 28 14.498 13.017 -16.624 1.00 0.00 C ATOM 0 H THR A 28 13.328 11.604 -13.084 1.00 0.00 H new ATOM 0 HA THR A 28 15.680 11.710 -14.571 1.00 0.00 H new ATOM 0 HB THR A 28 13.151 13.348 -15.001 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.514 11.202 -14.788 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.731 13.140 -17.389 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.013 13.966 -16.471 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.216 12.263 -16.947 1.00 0.00 H new ATOM 429 N ARG A 29 14.796 14.580 -13.177 1.00 0.00 N ATOM 430 CA ARG A 29 15.281 15.905 -12.808 1.00 0.00 C ATOM 431 C ARG A 29 16.308 15.814 -11.683 1.00 0.00 C ATOM 432 O ARG A 29 17.421 16.326 -11.802 1.00 0.00 O ATOM 433 CB ARG A 29 14.115 16.796 -12.377 1.00 0.00 C ATOM 434 CG ARG A 29 13.465 17.546 -13.528 1.00 0.00 C ATOM 435 CD ARG A 29 11.988 17.797 -13.266 1.00 0.00 C ATOM 436 NE ARG A 29 11.481 18.932 -14.031 1.00 0.00 N ATOM 437 CZ ARG A 29 10.198 19.105 -14.328 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.296 18.220 -13.925 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.814 20.164 -15.028 1.00 0.00 N ATOM 0 H ARG A 29 13.860 14.363 -12.834 1.00 0.00 H new ATOM 0 HA ARG A 29 15.762 16.345 -13.682 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.362 16.181 -11.883 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.472 17.516 -11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.976 18.497 -13.678 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.580 16.973 -14.448 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.418 16.904 -13.522 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.835 17.979 -12.202 1.00 0.00 H new ATOM 0 HE ARG A 29 12.149 19.631 -14.356 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.587 17.405 -13.386 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.311 18.355 -14.154 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.504 20.847 -15.339 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.828 20.295 -15.255 1.00 0.00 H new ATOM 453 N HIS A 30 15.926 15.158 -10.591 1.00 0.00 N ATOM 454 CA HIS A 30 16.814 14.999 -9.445 1.00 0.00 C ATOM 455 C HIS A 30 17.322 13.564 -9.345 1.00 0.00 C ATOM 456 O HIS A 30 16.882 12.782 -8.501 1.00 0.00 O ATOM 457 CB HIS A 30 16.091 15.388 -8.155 1.00 0.00 C ATOM 458 CG HIS A 30 15.518 16.771 -8.183 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.291 17.909 -8.087 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.238 17.198 -8.300 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.513 18.974 -8.142 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.262 18.570 -8.271 1.00 0.00 N ATOM 0 H HIS A 30 15.008 14.728 -10.476 1.00 0.00 H new ATOM 0 HA HIS A 30 17.670 15.659 -9.586 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.288 14.675 -7.969 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.787 15.309 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.361 16.575 -8.398 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.843 20.001 -8.090 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.446 19.179 -8.338 1.00 0.00 H new ATOM 471 N PRO A 31 18.267 13.207 -10.226 1.00 0.00 N ATOM 472 CA PRO A 31 18.855 11.864 -10.258 1.00 0.00 C ATOM 473 C PRO A 31 19.741 11.591 -9.047 1.00 0.00 C ATOM 474 O PRO A 31 20.278 10.494 -8.895 1.00 0.00 O ATOM 475 CB PRO A 31 19.688 11.871 -11.541 1.00 0.00 C ATOM 476 CG PRO A 31 20.015 13.306 -11.773 1.00 0.00 C ATOM 477 CD PRO A 31 18.836 14.087 -11.261 1.00 0.00 C ATOM 0 HA PRO A 31 18.093 11.085 -10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.592 11.272 -11.429 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.129 11.452 -12.378 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.928 13.588 -11.248 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.183 13.502 -12.832 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.140 15.049 -10.848 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.116 14.293 -12.053 1.00 0.00 H new ATOM 485 N ASP A 32 19.889 12.594 -8.190 1.00 0.00 N ATOM 486 CA ASP A 32 20.710 12.461 -6.991 1.00 0.00 C ATOM 487 C ASP A 32 19.839 12.247 -5.758 1.00 0.00 C ATOM 488 O ASP A 32 20.241 11.569 -4.811 1.00 0.00 O ATOM 489 CB ASP A 32 21.584 13.703 -6.805 1.00 0.00 C ATOM 490 CG ASP A 32 22.822 13.676 -7.679 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.750 12.901 -7.368 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.863 14.431 -8.673 1.00 0.00 O ATOM 0 H ASP A 32 19.452 13.509 -8.302 1.00 0.00 H new ATOM 0 HA ASP A 32 21.353 11.590 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.999 14.593 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.883 13.780 -5.760 1.00 0.00 H new ATOM 497 N LEU A 33 18.644 12.828 -5.774 1.00 0.00 N ATOM 498 CA LEU A 33 17.716 12.701 -4.656 1.00 0.00 C ATOM 499 C LEU A 33 17.364 11.239 -4.403 1.00 0.00 C ATOM 500 O LEU A 33 16.915 10.520 -5.296 1.00 0.00 O ATOM 501 CB LEU A 33 16.443 13.503 -4.932 1.00 0.00 C ATOM 502 CG LEU A 33 16.503 14.994 -4.596 1.00 0.00 C ATOM 503 CD1 LEU A 33 15.105 15.591 -4.568 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.205 15.213 -3.263 1.00 0.00 C ATOM 0 H LEU A 33 18.295 13.392 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 33 18.203 13.097 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.194 13.399 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.626 13.056 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 33 17.077 15.499 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.167 16.652 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.637 15.467 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.507 15.082 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.238 16.279 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.659 14.695 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.221 14.822 -3.318 1.00 0.00 H new ATOM 516 N PRO A 34 17.572 10.787 -3.158 1.00 0.00 N ATOM 517 CA PRO A 34 17.281 9.407 -2.758 1.00 0.00 C ATOM 518 C PRO A 34 15.784 9.118 -2.718 1.00 0.00 C ATOM 519 O PRO A 34 14.983 9.863 -3.281 1.00 0.00 O ATOM 520 CB PRO A 34 17.882 9.311 -1.353 1.00 0.00 C ATOM 521 CG PRO A 34 17.880 10.711 -0.843 1.00 0.00 C ATOM 522 CD PRO A 34 18.106 11.588 -2.044 1.00 0.00 C ATOM 0 HA PRO A 34 17.691 8.683 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.290 8.656 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.892 8.902 -1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.933 10.949 -0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.664 10.857 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.586 12.541 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.163 11.814 -2.183 1.00 0.00 H new ATOM 530 N PHE A 35 15.414 8.032 -2.047 1.00 0.00 N ATOM 531 CA PHE A 35 14.012 7.645 -1.935 1.00 0.00 C ATOM 532 C PHE A 35 13.262 8.585 -0.996 1.00 0.00 C ATOM 533 O PHE A 35 12.285 9.232 -1.374 1.00 0.00 O ATOM 534 CB PHE A 35 13.898 6.204 -1.431 1.00 0.00 C ATOM 535 CG PHE A 35 12.682 5.960 -0.585 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.424 6.328 -1.034 1.00 0.00 C ATOM 537 CD2 PHE A 35 12.796 5.362 0.659 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.303 6.105 -0.258 1.00 0.00 C ATOM 539 CE2 PHE A 35 11.678 5.135 1.441 1.00 0.00 C ATOM 540 CZ PHE A 35 10.430 5.507 0.981 1.00 0.00 C ATOM 0 H PHE A 35 16.064 7.405 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 35 13.561 7.713 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.877 5.529 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.789 5.958 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.318 6.795 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.770 5.069 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.328 6.398 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.781 4.668 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.555 5.331 1.589 1.00 0.00 H new ATOM 550 N PRO A 36 13.727 8.663 0.260 1.00 0.00 N ATOM 551 CA PRO A 36 13.116 9.521 1.279 1.00 0.00 C ATOM 552 C PRO A 36 13.341 11.002 1.000 1.00 0.00 C ATOM 553 O PRO A 36 13.221 11.837 1.897 1.00 0.00 O ATOM 554 CB PRO A 36 13.832 9.104 2.567 1.00 0.00 C ATOM 555 CG PRO A 36 15.143 8.564 2.114 1.00 0.00 C ATOM 556 CD PRO A 36 14.887 7.919 0.780 1.00 0.00 C ATOM 0 HA PRO A 36 12.033 9.401 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.964 9.952 3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.261 8.352 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.883 9.359 2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.535 7.840 2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.750 8.006 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.670 6.856 0.882 1.00 0.00 H new ATOM 564 N GLU A 37 13.665 11.322 -0.249 1.00 0.00 N ATOM 565 CA GLU A 37 13.906 12.705 -0.644 1.00 0.00 C ATOM 566 C GLU A 37 13.034 13.090 -1.837 1.00 0.00 C ATOM 567 O GLU A 37 12.723 14.264 -2.038 1.00 0.00 O ATOM 568 CB GLU A 37 15.382 12.911 -0.991 1.00 0.00 C ATOM 569 CG GLU A 37 16.264 13.155 0.223 1.00 0.00 C ATOM 570 CD GLU A 37 16.249 14.603 0.673 1.00 0.00 C ATOM 571 OE1 GLU A 37 16.218 15.495 -0.199 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.270 14.842 1.898 1.00 0.00 O ATOM 0 H GLU A 37 13.767 10.643 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 37 13.645 13.346 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.747 12.033 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.472 13.758 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.930 12.520 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.287 12.862 -0.011 1.00 0.00 H new ATOM 579 N ILE A 38 12.646 12.092 -2.623 1.00 0.00 N ATOM 580 CA ILE A 38 11.810 12.326 -3.796 1.00 0.00 C ATOM 581 C ILE A 38 10.331 12.292 -3.430 1.00 0.00 C ATOM 582 O ILE A 38 9.540 13.101 -3.919 1.00 0.00 O ATOM 583 CB ILE A 38 12.080 11.283 -4.896 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.527 11.387 -5.383 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.112 11.471 -6.053 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.982 10.186 -6.183 1.00 0.00 C ATOM 0 H ILE A 38 12.896 11.115 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 38 12.066 13.315 -4.175 1.00 0.00 H new ATOM 0 HB ILE A 38 11.927 10.288 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.633 12.283 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.184 11.510 -4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.316 10.726 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.089 11.352 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.236 12.469 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.016 10.328 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.909 9.290 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.349 10.074 -7.063 1.00 0.00 H new ATOM 598 N THR A 39 9.961 11.352 -2.567 1.00 0.00 N ATOM 599 CA THR A 39 8.576 11.212 -2.135 1.00 0.00 C ATOM 600 C THR A 39 8.112 12.446 -1.368 1.00 0.00 C ATOM 601 O THR A 39 7.017 12.960 -1.602 1.00 0.00 O ATOM 602 CB THR A 39 8.387 9.968 -1.246 1.00 0.00 C ATOM 603 OG1 THR A 39 8.616 8.780 -2.011 1.00 0.00 O ATOM 604 CG2 THR A 39 6.985 9.934 -0.653 1.00 0.00 C ATOM 0 H THR A 39 10.602 10.675 -2.153 1.00 0.00 H new ATOM 0 HA THR A 39 7.974 11.100 -3.037 1.00 0.00 H new ATOM 0 HB THR A 39 9.108 10.019 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.199 8.174 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.875 9.047 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.824 10.826 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.250 9.905 -1.458 1.00 0.00 H new ATOM 612 N LYS A 40 8.950 12.917 -0.452 1.00 0.00 N ATOM 613 CA LYS A 40 8.628 14.092 0.349 1.00 0.00 C ATOM 614 C LYS A 40 8.196 15.254 -0.541 1.00 0.00 C ATOM 615 O LYS A 40 7.342 16.055 -0.159 1.00 0.00 O ATOM 616 CB LYS A 40 9.834 14.506 1.195 1.00 0.00 C ATOM 617 CG LYS A 40 10.979 15.083 0.380 1.00 0.00 C ATOM 618 CD LYS A 40 12.091 15.605 1.274 1.00 0.00 C ATOM 619 CE LYS A 40 11.698 16.912 1.946 1.00 0.00 C ATOM 620 NZ LYS A 40 12.758 17.399 2.872 1.00 0.00 N ATOM 0 H LYS A 40 9.859 12.503 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 40 7.800 13.834 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.515 15.244 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.194 13.639 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.376 14.316 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.607 15.891 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.328 14.861 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.994 15.756 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.505 17.668 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.769 16.771 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.453 18.291 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.925 16.689 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.638 17.557 2.340 1.00 0.00 H new ATOM 634 N MET A 41 8.788 15.339 -1.726 1.00 0.00 N ATOM 635 CA MET A 41 8.461 16.401 -2.670 1.00 0.00 C ATOM 636 C MET A 41 7.097 16.161 -3.308 1.00 0.00 C ATOM 637 O MET A 41 6.265 17.067 -3.379 1.00 0.00 O ATOM 638 CB MET A 41 9.535 16.496 -3.755 1.00 0.00 C ATOM 639 CG MET A 41 10.820 17.159 -3.283 1.00 0.00 C ATOM 640 SD MET A 41 11.841 17.745 -4.648 1.00 0.00 S ATOM 641 CE MET A 41 12.136 16.216 -5.532 1.00 0.00 C ATOM 0 H MET A 41 9.497 14.685 -2.057 1.00 0.00 H new ATOM 0 HA MET A 41 8.425 17.342 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.765 15.493 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.137 17.056 -4.601 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.574 17.998 -2.632 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.392 16.449 -2.685 1.00 0.00 H new ATOM 0 HE1 MET A 41 13.011 16.329 -6.172 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.310 15.411 -4.818 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.267 15.977 -6.145 1.00 0.00 H new ATOM 651 N LEU A 42 6.873 14.936 -3.771 1.00 0.00 N ATOM 652 CA LEU A 42 5.608 14.576 -4.404 1.00 0.00 C ATOM 653 C LEU A 42 4.440 14.792 -3.447 1.00 0.00 C ATOM 654 O LEU A 42 3.384 15.284 -3.841 1.00 0.00 O ATOM 655 CB LEU A 42 5.642 13.119 -4.867 1.00 0.00 C ATOM 656 CG LEU A 42 6.704 12.771 -5.911 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.509 11.350 -6.417 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.659 13.761 -7.066 1.00 0.00 C ATOM 0 H LEU A 42 7.550 14.175 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 42 5.467 15.221 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.798 12.485 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.663 12.865 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 42 7.685 12.836 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.274 11.120 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.591 10.653 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.523 11.258 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.421 13.499 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.676 13.727 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.848 14.767 -6.691 1.00 0.00 H new ATOM 670 N GLY A 43 4.639 14.419 -2.186 1.00 0.00 N ATOM 671 CA GLY A 43 3.594 14.581 -1.191 1.00 0.00 C ATOM 672 C GLY A 43 2.915 15.933 -1.279 1.00 0.00 C ATOM 673 O GLY A 43 1.702 16.039 -1.094 1.00 0.00 O ATOM 0 H GLY A 43 5.504 14.008 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.850 13.795 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.021 14.456 -0.196 1.00 0.00 H new ATOM 677 N ALA A 44 3.697 16.970 -1.560 1.00 0.00 N ATOM 678 CA ALA A 44 3.164 18.321 -1.671 1.00 0.00 C ATOM 679 C ALA A 44 2.222 18.443 -2.865 1.00 0.00 C ATOM 680 O ALA A 44 1.214 19.145 -2.801 1.00 0.00 O ATOM 681 CB ALA A 44 4.298 19.329 -1.785 1.00 0.00 C ATOM 0 H ALA A 44 4.703 16.900 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 44 2.593 18.535 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.884 20.334 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.930 19.268 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.893 19.108 -2.671 1.00 0.00 H new ATOM 687 N GLU A 45 2.562 17.757 -3.951 1.00 0.00 N ATOM 688 CA GLU A 45 1.746 17.791 -5.161 1.00 0.00 C ATOM 689 C GLU A 45 0.387 17.141 -4.919 1.00 0.00 C ATOM 690 O GLU A 45 -0.635 17.609 -5.421 1.00 0.00 O ATOM 691 CB GLU A 45 2.466 17.081 -6.308 1.00 0.00 C ATOM 692 CG GLU A 45 3.874 17.596 -6.555 1.00 0.00 C ATOM 693 CD GLU A 45 3.905 18.772 -7.513 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.410 18.623 -8.651 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.424 19.839 -7.126 1.00 0.00 O ATOM 0 H GLU A 45 3.395 17.172 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 45 1.587 18.835 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.511 16.014 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.881 17.197 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.320 17.893 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.487 16.789 -6.956 1.00 0.00 H new ATOM 702 N TRP A 46 0.384 16.061 -4.147 1.00 0.00 N ATOM 703 CA TRP A 46 -0.849 15.344 -3.839 1.00 0.00 C ATOM 704 C TRP A 46 -1.882 16.281 -3.221 1.00 0.00 C ATOM 705 O TRP A 46 -3.084 16.118 -3.428 1.00 0.00 O ATOM 706 CB TRP A 46 -0.564 14.181 -2.886 1.00 0.00 C ATOM 707 CG TRP A 46 -1.803 13.489 -2.407 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.324 13.522 -1.145 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.676 12.659 -3.181 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.467 12.763 -1.087 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.705 12.224 -2.324 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.689 12.244 -4.515 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.734 11.393 -2.759 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.710 11.419 -4.946 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.722 11.001 -4.070 1.00 0.00 C ATOM 0 H TRP A 46 1.221 15.662 -3.722 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.253 14.949 -4.771 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.077 13.457 -3.389 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.009 14.554 -2.025 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.899 14.066 -0.314 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.045 12.623 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.915 12.562 -5.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.514 11.069 -2.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.729 11.091 -5.975 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.507 10.357 -4.437 1.00 0.00 H new ATOM 726 N SER A 47 -1.405 17.262 -2.460 1.00 0.00 N ATOM 727 CA SER A 47 -2.289 18.223 -1.810 1.00 0.00 C ATOM 728 C SER A 47 -2.714 19.317 -2.784 1.00 0.00 C ATOM 729 O SER A 47 -3.717 19.999 -2.572 1.00 0.00 O ATOM 730 CB SER A 47 -1.595 18.845 -0.597 1.00 0.00 C ATOM 731 OG SER A 47 -2.470 19.714 0.101 1.00 0.00 O ATOM 0 H SER A 47 -0.412 17.412 -2.279 1.00 0.00 H new ATOM 0 HA SER A 47 -3.181 17.692 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.250 18.057 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.713 19.396 -0.922 1.00 0.00 H new ATOM 0 HG SER A 47 -2.003 20.098 0.873 1.00 0.00 H new ATOM 737 N LYS A 48 -1.943 19.479 -3.854 1.00 0.00 N ATOM 738 CA LYS A 48 -2.238 20.488 -4.864 1.00 0.00 C ATOM 739 C LYS A 48 -2.927 19.864 -6.074 1.00 0.00 C ATOM 740 O LYS A 48 -3.065 20.500 -7.120 1.00 0.00 O ATOM 741 CB LYS A 48 -0.951 21.191 -5.304 1.00 0.00 C ATOM 742 CG LYS A 48 -0.090 21.663 -4.145 1.00 0.00 C ATOM 743 CD LYS A 48 1.367 21.806 -4.555 1.00 0.00 C ATOM 744 CE LYS A 48 1.526 22.776 -5.715 1.00 0.00 C ATOM 745 NZ LYS A 48 1.723 24.175 -5.246 1.00 0.00 N ATOM 0 H LYS A 48 -1.109 18.924 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.913 21.221 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.369 20.510 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.209 22.048 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.462 22.620 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.169 20.955 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.953 22.155 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.764 20.831 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.377 22.475 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.643 22.728 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.827 24.805 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.900 24.472 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.580 24.227 -4.659 1.00 0.00 H new ATOM 759 N LEU A 49 -3.359 18.617 -5.924 1.00 0.00 N ATOM 760 CA LEU A 49 -4.035 17.906 -7.003 1.00 0.00 C ATOM 761 C LEU A 49 -5.447 18.446 -7.209 1.00 0.00 C ATOM 762 O LEU A 49 -6.041 19.019 -6.297 1.00 0.00 O ATOM 763 CB LEU A 49 -4.090 16.407 -6.699 1.00 0.00 C ATOM 764 CG LEU A 49 -2.908 15.578 -7.201 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.141 14.099 -6.931 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.679 15.822 -8.686 1.00 0.00 C ATOM 0 H LEU A 49 -3.253 18.077 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.467 18.063 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.166 16.278 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.004 16.001 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.014 15.888 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.289 13.524 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.256 13.938 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.045 13.773 -7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.834 15.224 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.572 15.539 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.467 16.878 -8.853 1.00 0.00 H new ATOM 778 N GLN A 50 -5.977 18.257 -8.414 1.00 0.00 N ATOM 779 CA GLN A 50 -7.320 18.724 -8.738 1.00 0.00 C ATOM 780 C GLN A 50 -8.377 17.827 -8.104 1.00 0.00 C ATOM 781 O GLN A 50 -8.116 16.678 -7.744 1.00 0.00 O ATOM 782 CB GLN A 50 -7.515 18.768 -10.255 1.00 0.00 C ATOM 783 CG GLN A 50 -7.096 20.087 -10.884 1.00 0.00 C ATOM 784 CD GLN A 50 -8.070 21.210 -10.586 1.00 0.00 C ATOM 785 OE1 GLN A 50 -8.131 21.713 -9.464 1.00 0.00 O ATOM 786 NE2 GLN A 50 -8.838 21.611 -11.593 1.00 0.00 N ATOM 0 H GLN A 50 -5.498 17.785 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.434 19.730 -8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.942 17.960 -10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.565 18.583 -10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.107 20.362 -10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.012 19.960 -11.963 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.754 21.166 -12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.511 22.364 -11.452 1.00 0.00 H new ATOM 795 N PRO A 51 -9.600 18.360 -7.962 1.00 0.00 N ATOM 796 CA PRO A 51 -10.720 17.624 -7.371 1.00 0.00 C ATOM 797 C PRO A 51 -11.211 16.493 -8.270 1.00 0.00 C ATOM 798 O PRO A 51 -12.168 15.794 -7.938 1.00 0.00 O ATOM 799 CB PRO A 51 -11.805 18.692 -7.216 1.00 0.00 C ATOM 800 CG PRO A 51 -11.481 19.714 -8.251 1.00 0.00 C ATOM 801 CD PRO A 51 -9.981 19.722 -8.369 1.00 0.00 C ATOM 0 HA PRO A 51 -10.440 17.142 -6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.799 18.272 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.795 19.125 -6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.946 19.465 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.855 20.696 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.659 19.942 -9.387 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.531 20.475 -7.722 1.00 0.00 H new ATOM 809 N ALA A 52 -10.549 16.321 -9.409 1.00 0.00 N ATOM 810 CA ALA A 52 -10.916 15.274 -10.355 1.00 0.00 C ATOM 811 C ALA A 52 -9.834 14.203 -10.436 1.00 0.00 C ATOM 812 O ALA A 52 -10.132 13.012 -10.525 1.00 0.00 O ATOM 813 CB ALA A 52 -11.174 15.871 -11.731 1.00 0.00 C ATOM 0 H ALA A 52 -9.756 16.893 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.832 14.802 -9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.447 15.077 -12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.988 16.593 -11.667 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.272 16.370 -12.086 1.00 0.00 H new ATOM 819 N GLU A 53 -8.577 14.635 -10.405 1.00 0.00 N ATOM 820 CA GLU A 53 -7.450 13.712 -10.476 1.00 0.00 C ATOM 821 C GLU A 53 -7.261 12.980 -9.150 1.00 0.00 C ATOM 822 O GLU A 53 -7.243 11.750 -9.103 1.00 0.00 O ATOM 823 CB GLU A 53 -6.169 14.462 -10.845 1.00 0.00 C ATOM 824 CG GLU A 53 -6.302 15.314 -12.095 1.00 0.00 C ATOM 825 CD GLU A 53 -6.612 14.493 -13.332 1.00 0.00 C ATOM 826 OE1 GLU A 53 -7.806 14.245 -13.596 1.00 0.00 O ATOM 827 OE2 GLU A 53 -5.658 14.098 -14.035 1.00 0.00 O ATOM 0 H GLU A 53 -8.314 15.618 -10.331 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.666 12.975 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.878 15.100 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.365 13.741 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.091 16.051 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.376 15.867 -12.253 1.00 0.00 H new ATOM 834 N LYS A 54 -7.119 13.747 -8.074 1.00 0.00 N ATOM 835 CA LYS A 54 -6.931 13.176 -6.746 1.00 0.00 C ATOM 836 C LYS A 54 -7.965 12.087 -6.471 1.00 0.00 C ATOM 837 O LYS A 54 -7.640 11.038 -5.914 1.00 0.00 O ATOM 838 CB LYS A 54 -7.030 14.268 -5.679 1.00 0.00 C ATOM 839 CG LYS A 54 -6.294 13.931 -4.394 1.00 0.00 C ATOM 840 CD LYS A 54 -6.950 14.584 -3.189 1.00 0.00 C ATOM 841 CE LYS A 54 -5.935 14.883 -2.096 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.319 16.228 -2.263 1.00 0.00 N ATOM 0 H LYS A 54 -7.131 14.767 -8.096 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.938 12.729 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.630 15.197 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.081 14.446 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.274 12.850 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.258 14.262 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.439 15.509 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.727 13.928 -2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.422 14.825 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.154 14.122 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.300 16.123 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.765 16.717 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.460 16.785 -1.396 1.00 0.00 H new ATOM 856 N GLN A 55 -9.207 12.344 -6.867 1.00 0.00 N ATOM 857 CA GLN A 55 -10.286 11.384 -6.664 1.00 0.00 C ATOM 858 C GLN A 55 -10.115 10.171 -7.572 1.00 0.00 C ATOM 859 O GLN A 55 -10.251 9.029 -7.132 1.00 0.00 O ATOM 860 CB GLN A 55 -11.640 12.045 -6.925 1.00 0.00 C ATOM 861 CG GLN A 55 -12.827 11.143 -6.625 1.00 0.00 C ATOM 862 CD GLN A 55 -12.733 10.491 -5.259 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.604 9.272 -5.147 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.797 11.304 -4.210 1.00 0.00 N ATOM 0 H GLN A 55 -9.491 13.207 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.248 11.047 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.717 12.947 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.687 12.358 -7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.746 11.727 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.893 10.369 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.904 12.309 -4.349 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.739 10.923 -3.265 1.00 0.00 H new ATOM 873 N ARG A 56 -9.817 10.426 -8.842 1.00 0.00 N ATOM 874 CA ARG A 56 -9.629 9.355 -9.813 1.00 0.00 C ATOM 875 C ARG A 56 -8.613 8.335 -9.307 1.00 0.00 C ATOM 876 O ARG A 56 -8.810 7.128 -9.444 1.00 0.00 O ATOM 877 CB ARG A 56 -9.168 9.928 -11.154 1.00 0.00 C ATOM 878 CG ARG A 56 -8.721 8.869 -12.148 1.00 0.00 C ATOM 879 CD ARG A 56 -8.288 9.490 -13.467 1.00 0.00 C ATOM 880 NE ARG A 56 -7.366 8.628 -14.201 1.00 0.00 N ATOM 881 CZ ARG A 56 -6.524 9.071 -15.127 1.00 0.00 C ATOM 882 NH1 ARG A 56 -6.486 10.362 -15.430 1.00 0.00 N ATOM 883 NH2 ARG A 56 -5.717 8.224 -15.752 1.00 0.00 N ATOM 0 H ARG A 56 -9.701 11.365 -9.222 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.586 8.852 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.983 10.505 -11.592 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.345 10.621 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.895 8.297 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.536 8.168 -12.325 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.167 9.687 -14.081 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.811 10.451 -13.276 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.369 7.630 -13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.105 11.017 -14.951 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.838 10.700 -16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.743 7.231 -15.521 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.071 8.566 -16.463 1.00 0.00 H new ATOM 897 N TYR A 57 -7.527 8.829 -8.723 1.00 0.00 N ATOM 898 CA TYR A 57 -6.479 7.962 -8.200 1.00 0.00 C ATOM 899 C TYR A 57 -7.033 7.017 -7.138 1.00 0.00 C ATOM 900 O TYR A 57 -6.706 5.829 -7.115 1.00 0.00 O ATOM 901 CB TYR A 57 -5.342 8.798 -7.610 1.00 0.00 C ATOM 902 CG TYR A 57 -4.323 9.243 -8.635 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.576 8.315 -9.348 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.108 10.592 -8.889 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.643 8.717 -10.286 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.178 11.003 -9.825 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.448 10.062 -10.520 1.00 0.00 C ATOM 908 OH TYR A 57 -1.521 10.467 -11.453 1.00 0.00 O ATOM 0 H TYR A 57 -7.350 9.826 -8.600 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.092 7.365 -9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.764 9.678 -7.123 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.838 8.217 -6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.726 7.261 -9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.677 11.332 -8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.070 7.982 -10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.024 12.056 -10.011 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.507 11.446 -11.497 1.00 0.00 H new ATOM 918 N LEU A 58 -7.875 7.551 -6.261 1.00 0.00 N ATOM 919 CA LEU A 58 -8.478 6.757 -5.196 1.00 0.00 C ATOM 920 C LEU A 58 -9.291 5.603 -5.771 1.00 0.00 C ATOM 921 O LEU A 58 -9.061 4.440 -5.436 1.00 0.00 O ATOM 922 CB LEU A 58 -9.370 7.638 -4.319 1.00 0.00 C ATOM 923 CG LEU A 58 -8.710 8.886 -3.731 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.759 9.810 -3.131 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.676 8.500 -2.684 1.00 0.00 C ATOM 0 H LEU A 58 -8.156 8.531 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.675 6.343 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.231 7.951 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.751 7.031 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.202 9.418 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.272 10.693 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.463 10.113 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.295 9.287 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.217 9.401 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.161 7.945 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.908 7.877 -3.143 1.00 0.00 H new ATOM 937 N ASP A 59 -10.242 5.931 -6.640 1.00 0.00 N ATOM 938 CA ASP A 59 -11.087 4.921 -7.264 1.00 0.00 C ATOM 939 C ASP A 59 -10.242 3.867 -7.974 1.00 0.00 C ATOM 940 O ASP A 59 -10.456 2.668 -7.802 1.00 0.00 O ATOM 941 CB ASP A 59 -12.049 5.574 -8.258 1.00 0.00 C ATOM 942 CG ASP A 59 -13.226 4.680 -8.599 1.00 0.00 C ATOM 943 OD1 ASP A 59 -14.032 4.389 -7.690 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.339 4.272 -9.773 1.00 0.00 O ATOM 0 H ASP A 59 -10.446 6.888 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.663 4.431 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.417 6.511 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.509 5.823 -9.172 1.00 0.00 H new ATOM 949 N GLU A 60 -9.283 4.325 -8.773 1.00 0.00 N ATOM 950 CA GLU A 60 -8.408 3.422 -9.510 1.00 0.00 C ATOM 951 C GLU A 60 -7.907 2.295 -8.611 1.00 0.00 C ATOM 952 O GLU A 60 -8.114 1.116 -8.901 1.00 0.00 O ATOM 953 CB GLU A 60 -7.220 4.189 -10.093 1.00 0.00 C ATOM 954 CG GLU A 60 -7.556 4.961 -11.359 1.00 0.00 C ATOM 955 CD GLU A 60 -7.626 4.071 -12.584 1.00 0.00 C ATOM 956 OE1 GLU A 60 -8.136 2.938 -12.464 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.171 4.508 -13.662 1.00 0.00 O ATOM 0 H GLU A 60 -9.093 5.315 -8.926 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.985 2.985 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.844 4.884 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.415 3.486 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.512 5.468 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.804 5.734 -11.519 1.00 0.00 H new ATOM 964 N ALA A 61 -7.248 2.667 -7.519 1.00 0.00 N ATOM 965 CA ALA A 61 -6.719 1.689 -6.576 1.00 0.00 C ATOM 966 C ALA A 61 -7.839 0.859 -5.959 1.00 0.00 C ATOM 967 O ALA A 61 -7.711 -0.355 -5.802 1.00 0.00 O ATOM 968 CB ALA A 61 -5.915 2.386 -5.489 1.00 0.00 C ATOM 0 H ALA A 61 -7.068 3.638 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.061 1.013 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.526 1.644 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.085 2.929 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.557 3.085 -4.954 1.00 0.00 H new ATOM 974 N GLU A 62 -8.937 1.523 -5.610 1.00 0.00 N ATOM 975 CA GLU A 62 -10.079 0.845 -5.007 1.00 0.00 C ATOM 976 C GLU A 62 -10.534 -0.327 -5.872 1.00 0.00 C ATOM 977 O GLU A 62 -10.662 -1.454 -5.393 1.00 0.00 O ATOM 978 CB GLU A 62 -11.236 1.827 -4.809 1.00 0.00 C ATOM 979 CG GLU A 62 -11.085 2.705 -3.578 1.00 0.00 C ATOM 980 CD GLU A 62 -12.024 3.896 -3.593 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.169 3.744 -4.066 1.00 0.00 O ATOM 982 OE2 GLU A 62 -11.612 4.980 -3.131 1.00 0.00 O ATOM 0 H GLU A 62 -9.060 2.528 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.769 0.459 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.317 2.463 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.168 1.267 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.274 2.109 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.056 3.059 -3.512 1.00 0.00 H new ATOM 989 N LYS A 63 -10.778 -0.052 -7.149 1.00 0.00 N ATOM 990 CA LYS A 63 -11.219 -1.082 -8.083 1.00 0.00 C ATOM 991 C LYS A 63 -10.364 -2.339 -7.949 1.00 0.00 C ATOM 992 O LYS A 63 -10.849 -3.452 -8.148 1.00 0.00 O ATOM 993 CB LYS A 63 -11.152 -0.558 -9.520 1.00 0.00 C ATOM 994 CG LYS A 63 -12.304 0.361 -9.886 1.00 0.00 C ATOM 995 CD LYS A 63 -13.544 -0.426 -10.274 1.00 0.00 C ATOM 996 CE LYS A 63 -13.459 -0.931 -11.707 1.00 0.00 C ATOM 997 NZ LYS A 63 -13.902 0.100 -12.685 1.00 0.00 N ATOM 0 H LYS A 63 -10.678 0.876 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.251 -1.338 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.213 -0.023 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.141 -1.405 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.534 1.011 -9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.008 1.006 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.667 -1.271 -9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.426 0.204 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.433 -1.225 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.076 -1.823 -11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.829 -0.282 -13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.889 0.362 -12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.297 0.942 -12.600 1.00 0.00 H new ATOM 1011 N GLU A 64 -9.093 -2.152 -7.610 1.00 0.00 N ATOM 1012 CA GLU A 64 -8.173 -3.273 -7.449 1.00 0.00 C ATOM 1013 C GLU A 64 -8.285 -3.870 -6.049 1.00 0.00 C ATOM 1014 O GLU A 64 -7.956 -5.037 -5.832 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.735 -2.822 -7.711 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.390 -2.710 -9.186 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.902 -4.020 -9.772 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -4.952 -4.604 -9.212 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -6.472 -4.461 -10.793 1.00 0.00 O ATOM 0 H GLU A 64 -8.676 -1.236 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.443 -4.040 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.574 -1.855 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.051 -3.527 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.269 -2.375 -9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.622 -1.948 -9.319 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.749 -3.063 -5.102 1.00 0.00 N ATOM 1027 CA LYS A 65 -8.904 -3.510 -3.723 1.00 0.00 C ATOM 1028 C LYS A 65 -9.958 -4.608 -3.623 1.00 0.00 C ATOM 1029 O LYS A 65 -9.770 -5.597 -2.914 1.00 0.00 O ATOM 1030 CB LYS A 65 -9.293 -2.334 -2.825 1.00 0.00 C ATOM 1031 CG LYS A 65 -9.508 -2.723 -1.372 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.568 -1.500 -0.470 1.00 0.00 C ATOM 1033 CE LYS A 65 -9.313 -1.868 0.983 1.00 0.00 C ATOM 1034 NZ LYS A 65 -9.223 -0.662 1.853 1.00 0.00 N ATOM 0 H LYS A 65 -9.025 -2.094 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.949 -3.915 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.513 -1.574 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.206 -1.880 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.434 -3.290 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.699 -3.377 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.829 -0.769 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.546 -1.027 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.115 -2.514 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.387 -2.439 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.049 -0.955 2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.442 -0.057 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.116 -0.131 1.803 1.00 0.00 H new ATOM 1048 N GLN A 66 -11.063 -4.429 -4.338 1.00 0.00 N ATOM 1049 CA GLN A 66 -12.145 -5.407 -4.329 1.00 0.00 C ATOM 1050 C GLN A 66 -11.604 -6.820 -4.523 1.00 0.00 C ATOM 1051 O GLN A 66 -11.886 -7.716 -3.729 1.00 0.00 O ATOM 1052 CB GLN A 66 -13.162 -5.083 -5.425 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.170 -4.017 -5.024 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.383 -4.595 -4.322 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.138 -5.376 -4.902 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.577 -4.215 -3.064 1.00 0.00 N ATOM 0 H GLN A 66 -11.233 -3.617 -4.931 1.00 0.00 H new ATOM 0 HA GLN A 66 -12.638 -5.357 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.630 -4.751 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.697 -5.994 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.686 -3.293 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.493 -3.475 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.927 -3.566 -2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.376 -4.572 -2.541 1.00 0.00 H new ATOM 1065 N GLN A 67 -10.826 -7.010 -5.583 1.00 0.00 N ATOM 1066 CA GLN A 67 -10.246 -8.314 -5.882 1.00 0.00 C ATOM 1067 C GLN A 67 -9.504 -8.869 -4.671 1.00 0.00 C ATOM 1068 O GLN A 67 -9.896 -9.889 -4.104 1.00 0.00 O ATOM 1069 CB GLN A 67 -9.295 -8.212 -7.075 1.00 0.00 C ATOM 1070 CG GLN A 67 -9.215 -9.486 -7.900 1.00 0.00 C ATOM 1071 CD GLN A 67 -10.549 -9.873 -8.508 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -11.111 -10.920 -8.185 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -11.064 -9.028 -9.392 1.00 0.00 N ATOM 0 H GLN A 67 -10.582 -6.277 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.058 -8.996 -6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.618 -7.393 -7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.298 -7.960 -6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.482 -9.353 -8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.857 -10.300 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.564 -8.172 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.960 -9.235 -9.833 1.00 0.00 H new ATOM 1082 N TYR A 68 -8.430 -8.192 -4.280 1.00 0.00 N ATOM 1083 CA TYR A 68 -7.631 -8.619 -3.138 1.00 0.00 C ATOM 1084 C TYR A 68 -8.524 -9.009 -1.963 1.00 0.00 C ATOM 1085 O TYR A 68 -8.372 -10.084 -1.382 1.00 0.00 O ATOM 1086 CB TYR A 68 -6.670 -7.507 -2.715 1.00 0.00 C ATOM 1087 CG TYR A 68 -6.253 -7.584 -1.264 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -7.101 -7.148 -0.253 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -5.013 -8.095 -0.904 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -6.725 -7.217 1.074 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -4.628 -8.168 0.421 1.00 0.00 C ATOM 1092 CZ TYR A 68 -5.487 -7.727 1.406 1.00 0.00 C ATOM 1093 OH TYR A 68 -5.109 -7.798 2.727 1.00 0.00 O ATOM 0 H TYR A 68 -8.093 -7.345 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.054 -9.493 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.780 -7.550 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.142 -6.542 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.071 -6.748 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.338 -8.441 -1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.396 -6.874 1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.660 -8.568 0.684 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.210 -8.182 2.790 1.00 0.00 H new ATOM 1103 N LEU A 69 -9.456 -8.126 -1.619 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.375 -8.376 -0.514 1.00 0.00 C ATOM 1105 C LEU A 69 -10.957 -9.783 -0.598 1.00 0.00 C ATOM 1106 O LEU A 69 -10.743 -10.609 0.290 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.503 -7.344 -0.521 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.256 -6.073 0.292 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.369 -5.064 0.058 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.134 -6.402 1.773 1.00 0.00 C ATOM 0 H LEU A 69 -9.595 -7.231 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.817 -8.289 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.700 -7.058 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.408 -7.822 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.317 -5.630 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.176 -4.166 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.408 -4.804 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.322 -5.497 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.958 -5.485 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.056 -6.869 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.300 -7.087 1.926 1.00 0.00 H new ATOM 1122 N LYS A 70 -11.692 -10.051 -1.672 1.00 0.00 N ATOM 1123 CA LYS A 70 -12.303 -11.360 -1.875 1.00 0.00 C ATOM 1124 C LYS A 70 -11.286 -12.475 -1.652 1.00 0.00 C ATOM 1125 O LYS A 70 -11.472 -13.333 -0.790 1.00 0.00 O ATOM 1126 CB LYS A 70 -12.884 -11.460 -3.286 1.00 0.00 C ATOM 1127 CG LYS A 70 -14.022 -10.487 -3.545 1.00 0.00 C ATOM 1128 CD LYS A 70 -14.602 -10.666 -4.939 1.00 0.00 C ATOM 1129 CE LYS A 70 -15.478 -9.487 -5.333 1.00 0.00 C ATOM 1130 NZ LYS A 70 -16.866 -9.629 -4.811 1.00 0.00 N ATOM 0 H LYS A 70 -11.879 -9.379 -2.416 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.107 -11.475 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.090 -11.279 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.241 -12.476 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.805 -10.636 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.662 -9.465 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.792 -10.776 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.188 -11.584 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.039 -8.565 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.505 -9.402 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.432 -8.806 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.294 -10.496 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.842 -9.685 -3.773 1.00 0.00 H new ATOM 1144 N GLU A 71 -10.210 -12.454 -2.433 1.00 0.00 N ATOM 1145 CA GLU A 71 -9.164 -13.464 -2.320 1.00 0.00 C ATOM 1146 C GLU A 71 -8.878 -13.788 -0.857 1.00 0.00 C ATOM 1147 O GLU A 71 -9.020 -14.932 -0.423 1.00 0.00 O ATOM 1148 CB GLU A 71 -7.885 -12.984 -3.008 1.00 0.00 C ATOM 1149 CG GLU A 71 -8.025 -12.827 -4.513 1.00 0.00 C ATOM 1150 CD GLU A 71 -7.091 -11.775 -5.079 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -5.864 -12.005 -5.074 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -7.589 -10.720 -5.526 1.00 0.00 O ATOM 0 H GLU A 71 -10.040 -11.749 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.514 -14.371 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.588 -12.028 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.082 -13.691 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.823 -13.784 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.054 -12.560 -4.753 1.00 0.00 H new ATOM 1159 N LEU A 72 -8.472 -12.774 -0.101 1.00 0.00 N ATOM 1160 CA LEU A 72 -8.163 -12.950 1.314 1.00 0.00 C ATOM 1161 C LEU A 72 -9.033 -14.041 1.930 1.00 0.00 C ATOM 1162 O LEU A 72 -8.570 -15.156 2.169 1.00 0.00 O ATOM 1163 CB LEU A 72 -8.367 -11.634 2.067 1.00 0.00 C ATOM 1164 CG LEU A 72 -8.052 -11.662 3.563 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -6.709 -12.330 3.814 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -8.064 -10.252 4.137 1.00 0.00 C ATOM 0 H LEU A 72 -8.349 -11.821 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.119 -13.253 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.745 -10.871 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.404 -11.323 1.940 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.824 -12.245 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.502 -12.340 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.736 -13.353 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.925 -11.776 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.838 -10.291 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.314 -9.646 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.049 -9.808 3.991 1.00 0.00 H new