USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 744 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 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 48 GLN : amide:sc= 0.0251 K(o=-0.87,f=-4.4!) USER MOD Set 2.2: A 70 GLN : amide:sc= -0.894 K(o=-0.87,f=-0.24) USER MOD Set 3.1: A 49 LYS NZ :NH3+ -165:sc= 1.28 (180deg=0.737) USER MOD Set 3.2: A 72 TYR OH : rot 180:sc= 0.651 USER MOD Single : A 9 THR OG1 : rot -125:sc= 0.718 USER MOD Single : A 10 SER OG : rot 180:sc=-0.00297 USER MOD Single : A 12 GLN : amide:sc= -0.524 K(o=-0.52,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 0.0757 (180deg=-0.482) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.007 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0.433 (180deg=0.433) USER MOD Single : A 37 GLN : amide:sc= -2.66! K(o=-2.7!,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.906 X(o=-0.91,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00693) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0155) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0167) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 68 ASN : amide:sc=-0.00626 X(o=-0.0063,f=-0.092) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 82 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 1.550 8.782 -7.419 1.00 73.42 N ATOM 28 CA ARG A 3 0.291 8.212 -6.902 1.00 63.13 C ATOM 29 C ARG A 3 0.515 7.652 -5.481 1.00 5.34 C ATOM 30 O ARG A 3 1.661 7.504 -5.038 1.00 33.02 O ATOM 31 CB ARG A 3 -0.202 7.074 -7.843 1.00 11.13 C ATOM 32 CG ARG A 3 0.635 5.775 -7.743 1.00 33.05 C ATOM 33 CD ARG A 3 0.166 4.641 -8.660 1.00 54.11 C ATOM 34 NE ARG A 3 0.913 3.413 -8.370 1.00 72.14 N ATOM 35 CZ ARG A 3 0.701 2.214 -8.910 1.00 34.35 C ATOM 36 NH1 ARG A 3 -0.257 2.022 -9.804 1.00 0.40 N ATOM 37 NH2 ARG A 3 1.473 1.210 -8.536 1.00 71.43 N ATOM 0 HA ARG A 3 -0.465 8.996 -6.864 1.00 63.13 H new ATOM 0 HB2 ARG A 3 -1.241 6.845 -7.607 1.00 11.13 H new ATOM 0 HB3 ARG A 3 -0.180 7.431 -8.873 1.00 11.13 H new ATOM 0 HG2 ARG A 3 1.673 6.009 -7.978 1.00 33.05 H new ATOM 0 HG3 ARG A 3 0.613 5.423 -6.712 1.00 33.05 H new ATOM 0 HD2 ARG A 3 -0.901 4.468 -8.520 1.00 54.11 H new ATOM 0 HD3 ARG A 3 0.309 4.924 -9.703 1.00 54.11 H new ATOM 0 HE ARG A 3 1.669 3.484 -7.688 1.00 72.14 H new ATOM 0 HH11 ARG A 3 -0.850 2.801 -10.092 1.00 0.40 H new ATOM 0 HH12 ARG A 3 -0.402 1.095 -10.205 1.00 0.40 H new ATOM 0 HH21 ARG A 3 2.211 1.363 -7.849 1.00 71.43 H new ATOM 0 HH22 ARG A 3 1.331 0.282 -8.934 1.00 71.43 H new ATOM 51 N LEU A 4 -0.579 7.382 -4.761 1.00 23.41 N ATOM 52 CA LEU A 4 -0.533 6.611 -3.507 1.00 60.11 C ATOM 53 C LEU A 4 -0.991 5.166 -3.768 1.00 13.42 C ATOM 54 O LEU A 4 -2.025 4.944 -4.412 1.00 71.43 O ATOM 55 CB LEU A 4 -1.416 7.264 -2.418 1.00 15.41 C ATOM 56 CG LEU A 4 -1.352 6.599 -0.998 1.00 14.42 C ATOM 57 CD1 LEU A 4 0.099 6.498 -0.487 1.00 53.13 C ATOM 58 CD2 LEU A 4 -2.214 7.362 0.012 1.00 12.51 C ATOM 0 H LEU A 4 -1.516 7.687 -5.025 1.00 23.41 H new ATOM 0 HA LEU A 4 0.495 6.604 -3.145 1.00 60.11 H new ATOM 0 HB2 LEU A 4 -1.127 8.311 -2.322 1.00 15.41 H new ATOM 0 HB3 LEU A 4 -2.451 7.249 -2.759 1.00 15.41 H new ATOM 0 HG LEU A 4 -1.750 5.589 -1.100 1.00 14.42 H new ATOM 0 HD11 LEU A 4 0.106 6.033 0.499 1.00 53.13 H new ATOM 0 HD12 LEU A 4 0.687 5.893 -1.178 1.00 53.13 H new ATOM 0 HD13 LEU A 4 0.532 7.496 -0.420 1.00 53.13 H new ATOM 0 HD21 LEU A 4 -2.149 6.877 0.986 1.00 12.51 H new ATOM 0 HD22 LEU A 4 -1.857 8.389 0.093 1.00 12.51 H new ATOM 0 HD23 LEU A 4 -3.251 7.364 -0.323 1.00 12.51 H new ATOM 70 N VAL A 5 -0.200 4.193 -3.279 1.00 34.40 N ATOM 71 CA VAL A 5 -0.549 2.763 -3.321 1.00 54.02 C ATOM 72 C VAL A 5 -0.927 2.307 -1.906 1.00 21.53 C ATOM 73 O VAL A 5 -0.087 2.350 -1.003 1.00 5.54 O ATOM 74 CB VAL A 5 0.633 1.873 -3.861 1.00 54.22 C ATOM 75 CG1 VAL A 5 0.249 0.368 -3.886 1.00 72.43 C ATOM 76 CG2 VAL A 5 1.083 2.345 -5.257 1.00 50.00 C ATOM 0 H VAL A 5 0.703 4.379 -2.842 1.00 34.40 H new ATOM 0 HA VAL A 5 -1.386 2.640 -4.008 1.00 54.02 H new ATOM 0 HB VAL A 5 1.471 1.989 -3.173 1.00 54.22 H new ATOM 0 HG11 VAL A 5 1.088 -0.215 -4.264 1.00 72.43 H new ATOM 0 HG12 VAL A 5 0.003 0.038 -2.876 1.00 72.43 H new ATOM 0 HG13 VAL A 5 -0.615 0.224 -4.535 1.00 72.43 H new ATOM 0 HG21 VAL A 5 1.900 1.715 -5.608 1.00 50.00 H new ATOM 0 HG22 VAL A 5 0.246 2.275 -5.952 1.00 50.00 H new ATOM 0 HG23 VAL A 5 1.422 3.380 -5.200 1.00 50.00 H new ATOM 86 N VAL A 6 -2.187 1.883 -1.711 1.00 71.42 N ATOM 87 CA VAL A 6 -2.645 1.340 -0.428 1.00 74.11 C ATOM 88 C VAL A 6 -2.646 -0.191 -0.517 1.00 21.13 C ATOM 89 O VAL A 6 -3.538 -0.793 -1.114 1.00 55.12 O ATOM 90 CB VAL A 6 -4.073 1.861 -0.031 1.00 74.34 C ATOM 91 CG1 VAL A 6 -4.513 1.282 1.343 1.00 62.43 C ATOM 92 CG2 VAL A 6 -4.114 3.413 -0.034 1.00 23.13 C ATOM 0 H VAL A 6 -2.908 1.908 -2.432 1.00 71.42 H new ATOM 0 HA VAL A 6 -1.962 1.679 0.350 1.00 74.11 H new ATOM 0 HB VAL A 6 -4.785 1.510 -0.778 1.00 74.34 H new ATOM 0 HG11 VAL A 6 -5.505 1.658 1.595 1.00 62.43 H new ATOM 0 HG12 VAL A 6 -4.540 0.194 1.287 1.00 62.43 H new ATOM 0 HG13 VAL A 6 -3.803 1.588 2.111 1.00 62.43 H new ATOM 0 HG21 VAL A 6 -5.112 3.751 0.244 1.00 23.13 H new ATOM 0 HG22 VAL A 6 -3.388 3.798 0.683 1.00 23.13 H new ATOM 0 HG23 VAL A 6 -3.870 3.781 -1.030 1.00 23.13 H new ATOM 102 N VAL A 7 -1.616 -0.801 0.056 1.00 24.21 N ATOM 103 CA VAL A 7 -1.482 -2.251 0.138 1.00 60.32 C ATOM 104 C VAL A 7 -2.246 -2.766 1.363 1.00 3.33 C ATOM 105 O VAL A 7 -2.062 -2.269 2.470 1.00 74.43 O ATOM 106 CB VAL A 7 0.021 -2.659 0.232 1.00 33.21 C ATOM 107 CG1 VAL A 7 0.203 -4.185 0.420 1.00 21.01 C ATOM 108 CG2 VAL A 7 0.808 -2.150 -1.001 1.00 64.23 C ATOM 0 H VAL A 7 -0.839 -0.296 0.483 1.00 24.21 H new ATOM 0 HA VAL A 7 -1.901 -2.697 -0.764 1.00 60.32 H new ATOM 0 HB VAL A 7 0.430 -2.180 1.122 1.00 33.21 H new ATOM 0 HG11 VAL A 7 1.266 -4.420 0.480 1.00 21.01 H new ATOM 0 HG12 VAL A 7 -0.291 -4.500 1.339 1.00 21.01 H new ATOM 0 HG13 VAL A 7 -0.238 -4.711 -0.427 1.00 21.01 H new ATOM 0 HG21 VAL A 7 1.853 -2.446 -0.913 1.00 64.23 H new ATOM 0 HG22 VAL A 7 0.383 -2.582 -1.907 1.00 64.23 H new ATOM 0 HG23 VAL A 7 0.742 -1.063 -1.051 1.00 64.23 H new ATOM 118 N VAL A 8 -3.105 -3.758 1.136 1.00 64.42 N ATOM 119 CA VAL A 8 -3.891 -4.442 2.173 1.00 54.14 C ATOM 120 C VAL A 8 -3.684 -5.951 2.000 1.00 22.02 C ATOM 121 O VAL A 8 -3.339 -6.419 0.915 1.00 71.13 O ATOM 122 CB VAL A 8 -5.426 -4.092 2.066 1.00 60.53 C ATOM 123 CG1 VAL A 8 -5.686 -2.594 2.374 1.00 20.22 C ATOM 124 CG2 VAL A 8 -5.976 -4.474 0.670 1.00 25.44 C ATOM 0 H VAL A 8 -3.282 -4.122 0.200 1.00 64.42 H new ATOM 0 HA VAL A 8 -3.555 -4.112 3.156 1.00 54.14 H new ATOM 0 HB VAL A 8 -5.957 -4.679 2.816 1.00 60.53 H new ATOM 0 HG11 VAL A 8 -6.753 -2.385 2.292 1.00 20.22 H new ATOM 0 HG12 VAL A 8 -5.349 -2.367 3.385 1.00 20.22 H new ATOM 0 HG13 VAL A 8 -5.140 -1.976 1.662 1.00 20.22 H new ATOM 0 HG21 VAL A 8 -7.036 -4.225 0.616 1.00 25.44 H new ATOM 0 HG22 VAL A 8 -5.434 -3.922 -0.098 1.00 25.44 H new ATOM 0 HG23 VAL A 8 -5.846 -5.544 0.508 1.00 25.44 H new ATOM 134 N THR A 9 -3.873 -6.709 3.078 1.00 74.55 N ATOM 135 CA THR A 9 -3.848 -8.187 3.039 1.00 33.04 C ATOM 136 C THR A 9 -5.231 -8.752 3.416 1.00 63.25 C ATOM 137 O THR A 9 -5.387 -9.958 3.642 1.00 75.41 O ATOM 138 CB THR A 9 -2.735 -8.752 3.981 1.00 53.33 C ATOM 139 OG1 THR A 9 -2.987 -8.343 5.329 1.00 72.02 O ATOM 140 CG2 THR A 9 -1.328 -8.274 3.559 1.00 65.53 C ATOM 0 H THR A 9 -4.048 -6.326 4.007 1.00 74.55 H new ATOM 0 HA THR A 9 -3.612 -8.503 2.023 1.00 33.04 H new ATOM 0 HB THR A 9 -2.761 -9.839 3.906 1.00 53.33 H new ATOM 0 HG1 THR A 9 -2.197 -7.885 5.685 1.00 72.02 H new ATOM 0 HG21 THR A 9 -0.584 -8.689 4.239 1.00 65.53 H new ATOM 0 HG22 THR A 9 -1.119 -8.610 2.543 1.00 65.53 H new ATOM 0 HG23 THR A 9 -1.287 -7.185 3.597 1.00 65.53 H new ATOM 148 N SER A 10 -6.242 -7.865 3.446 1.00 60.04 N ATOM 149 CA SER A 10 -7.640 -8.214 3.730 1.00 61.40 C ATOM 150 C SER A 10 -8.534 -7.654 2.614 1.00 31.03 C ATOM 151 O SER A 10 -8.416 -6.470 2.273 1.00 34.21 O ATOM 152 CB SER A 10 -8.053 -7.627 5.100 1.00 21.42 C ATOM 153 OG SER A 10 -9.425 -7.856 5.383 1.00 23.04 O ATOM 0 H SER A 10 -6.105 -6.870 3.270 1.00 60.04 H new ATOM 0 HA SER A 10 -7.753 -9.297 3.768 1.00 61.40 H new ATOM 0 HB2 SER A 10 -7.441 -8.072 5.885 1.00 21.42 H new ATOM 0 HB3 SER A 10 -7.854 -6.555 5.110 1.00 21.42 H new ATOM 0 HG SER A 10 -9.647 -7.472 6.257 1.00 23.04 H new ATOM 159 N GLU A 11 -9.398 -8.515 2.039 1.00 44.12 N ATOM 160 CA GLU A 11 -10.414 -8.121 1.034 1.00 71.03 C ATOM 161 C GLU A 11 -11.398 -7.095 1.622 1.00 43.21 C ATOM 162 O GLU A 11 -11.872 -6.206 0.913 1.00 4.13 O ATOM 163 CB GLU A 11 -11.193 -9.367 0.538 1.00 54.23 C ATOM 164 CG GLU A 11 -10.333 -10.388 -0.228 1.00 2.23 C ATOM 165 CD GLU A 11 -11.107 -11.653 -0.631 1.00 74.34 C ATOM 166 OE1 GLU A 11 -11.952 -11.572 -1.547 1.00 45.22 O ATOM 167 OE2 GLU A 11 -10.884 -12.729 -0.030 1.00 5.44 O ATOM 0 H GLU A 11 -9.413 -9.511 2.259 1.00 44.12 H new ATOM 0 HA GLU A 11 -9.895 -7.663 0.192 1.00 71.03 H new ATOM 0 HB2 GLU A 11 -11.647 -9.863 1.396 1.00 54.23 H new ATOM 0 HB3 GLU A 11 -12.008 -9.039 -0.108 1.00 54.23 H new ATOM 0 HG2 GLU A 11 -9.932 -9.915 -1.124 1.00 2.23 H new ATOM 0 HG3 GLU A 11 -9.482 -10.673 0.391 1.00 2.23 H new ATOM 174 N GLN A 12 -11.681 -7.242 2.931 1.00 24.24 N ATOM 175 CA GLN A 12 -12.558 -6.335 3.687 1.00 64.23 C ATOM 176 C GLN A 12 -11.972 -4.909 3.717 1.00 35.22 C ATOM 177 O GLN A 12 -12.699 -3.926 3.570 1.00 52.34 O ATOM 178 CB GLN A 12 -12.753 -6.873 5.129 1.00 24.42 C ATOM 179 CG GLN A 12 -13.387 -8.280 5.200 1.00 10.15 C ATOM 180 CD GLN A 12 -13.573 -8.811 6.625 1.00 50.22 C ATOM 181 OE1 GLN A 12 -14.522 -9.549 6.907 1.00 54.53 O ATOM 182 NE2 GLN A 12 -12.655 -8.483 7.530 1.00 30.21 N ATOM 0 H GLN A 12 -11.302 -8.002 3.496 1.00 24.24 H new ATOM 0 HA GLN A 12 -13.528 -6.291 3.191 1.00 64.23 H new ATOM 0 HB2 GLN A 12 -11.785 -6.897 5.630 1.00 24.42 H new ATOM 0 HB3 GLN A 12 -13.381 -6.175 5.683 1.00 24.42 H new ATOM 0 HG2 GLN A 12 -14.357 -8.255 4.704 1.00 10.15 H new ATOM 0 HG3 GLN A 12 -12.761 -8.977 4.643 1.00 10.15 H new ATOM 0 HE21 GLN A 12 -11.880 -7.872 7.272 1.00 30.21 H new ATOM 0 HE22 GLN A 12 -12.726 -8.843 8.482 1.00 30.21 H new ATOM 191 N LEU A 13 -10.642 -4.820 3.891 1.00 43.55 N ATOM 192 CA LEU A 13 -9.916 -3.538 3.914 1.00 45.54 C ATOM 193 C LEU A 13 -9.656 -3.017 2.484 1.00 3.12 C ATOM 194 O LEU A 13 -9.464 -1.813 2.286 1.00 40.04 O ATOM 195 CB LEU A 13 -8.602 -3.694 4.724 1.00 15.44 C ATOM 196 CG LEU A 13 -8.804 -3.994 6.247 1.00 4.53 C ATOM 197 CD1 LEU A 13 -7.463 -4.230 6.967 1.00 13.42 C ATOM 198 CD2 LEU A 13 -9.611 -2.867 6.932 1.00 70.12 C ATOM 0 H LEU A 13 -10.041 -5.634 4.020 1.00 43.55 H new ATOM 0 HA LEU A 13 -10.534 -2.790 4.410 1.00 45.54 H new ATOM 0 HB2 LEU A 13 -8.013 -4.499 4.284 1.00 15.44 H new ATOM 0 HB3 LEU A 13 -8.018 -2.780 4.622 1.00 15.44 H new ATOM 0 HG LEU A 13 -9.379 -4.917 6.322 1.00 4.53 H new ATOM 0 HD11 LEU A 13 -7.647 -4.435 8.022 1.00 13.42 H new ATOM 0 HD12 LEU A 13 -6.953 -5.081 6.516 1.00 13.42 H new ATOM 0 HD13 LEU A 13 -6.839 -3.341 6.874 1.00 13.42 H new ATOM 0 HD21 LEU A 13 -9.737 -3.101 7.989 1.00 70.12 H new ATOM 0 HD22 LEU A 13 -9.076 -1.923 6.830 1.00 70.12 H new ATOM 0 HD23 LEU A 13 -10.590 -2.782 6.460 1.00 70.12 H new ATOM 210 N LYS A 14 -9.668 -3.933 1.492 1.00 54.41 N ATOM 211 CA LYS A 14 -9.519 -3.574 0.070 1.00 70.15 C ATOM 212 C LYS A 14 -10.734 -2.772 -0.398 1.00 63.53 C ATOM 213 O LYS A 14 -10.602 -1.613 -0.796 1.00 21.15 O ATOM 214 CB LYS A 14 -9.348 -4.844 -0.807 1.00 20.13 C ATOM 215 CG LYS A 14 -9.198 -4.553 -2.318 1.00 44.23 C ATOM 216 CD LYS A 14 -9.101 -5.839 -3.167 1.00 73.04 C ATOM 217 CE LYS A 14 -8.872 -5.544 -4.654 1.00 43.45 C ATOM 218 NZ LYS A 14 -8.645 -6.779 -5.447 1.00 73.53 N ATOM 0 H LYS A 14 -9.780 -4.934 1.655 1.00 54.41 H new ATOM 0 HA LYS A 14 -8.623 -2.962 -0.037 1.00 70.15 H new ATOM 0 HB2 LYS A 14 -8.471 -5.393 -0.465 1.00 20.13 H new ATOM 0 HB3 LYS A 14 -10.210 -5.495 -0.657 1.00 20.13 H new ATOM 0 HG2 LYS A 14 -10.050 -3.963 -2.656 1.00 44.23 H new ATOM 0 HG3 LYS A 14 -8.306 -3.948 -2.480 1.00 44.23 H new ATOM 0 HD2 LYS A 14 -8.285 -6.457 -2.793 1.00 73.04 H new ATOM 0 HD3 LYS A 14 -10.018 -6.417 -3.051 1.00 73.04 H new ATOM 0 HE2 LYS A 14 -9.736 -5.012 -5.054 1.00 43.45 H new ATOM 0 HE3 LYS A 14 -8.012 -4.883 -4.762 1.00 43.45 H new ATOM 0 HZ1 LYS A 14 -8.495 -6.528 -6.445 1.00 73.53 H new ATOM 0 HZ2 LYS A 14 -7.805 -7.275 -5.085 1.00 73.53 H new ATOM 0 HZ3 LYS A 14 -9.475 -7.400 -5.367 1.00 73.53 H new ATOM 232 N GLU A 15 -11.925 -3.408 -0.297 1.00 22.15 N ATOM 233 CA GLU A 15 -13.204 -2.799 -0.691 1.00 22.22 C ATOM 234 C GLU A 15 -13.479 -1.527 0.131 1.00 22.43 C ATOM 235 O GLU A 15 -14.128 -0.618 -0.356 1.00 12.53 O ATOM 236 CB GLU A 15 -14.378 -3.802 -0.518 1.00 25.25 C ATOM 237 CG GLU A 15 -14.580 -4.299 0.926 1.00 2.31 C ATOM 238 CD GLU A 15 -15.869 -5.103 1.139 1.00 75.03 C ATOM 239 OE1 GLU A 15 -15.882 -6.317 0.856 1.00 54.12 O ATOM 240 OE2 GLU A 15 -16.880 -4.521 1.593 1.00 44.41 O ATOM 0 H GLU A 15 -12.019 -4.358 0.061 1.00 22.15 H new ATOM 0 HA GLU A 15 -13.130 -2.530 -1.745 1.00 22.22 H new ATOM 0 HB2 GLU A 15 -15.299 -3.328 -0.859 1.00 25.25 H new ATOM 0 HB3 GLU A 15 -14.204 -4.662 -1.165 1.00 25.25 H new ATOM 0 HG2 GLU A 15 -13.728 -4.918 1.208 1.00 2.31 H new ATOM 0 HG3 GLU A 15 -14.586 -3.440 1.597 1.00 2.31 H new ATOM 247 N GLU A 16 -12.954 -1.498 1.382 1.00 42.43 N ATOM 248 CA GLU A 16 -13.092 -0.360 2.298 1.00 13.15 C ATOM 249 C GLU A 16 -12.430 0.894 1.697 1.00 54.44 C ATOM 250 O GLU A 16 -13.115 1.880 1.408 1.00 21.10 O ATOM 251 CB GLU A 16 -12.453 -0.720 3.670 1.00 22.35 C ATOM 252 CG GLU A 16 -12.598 0.345 4.783 1.00 53.35 C ATOM 253 CD GLU A 16 -14.061 0.618 5.183 1.00 44.22 C ATOM 254 OE1 GLU A 16 -14.750 -0.325 5.631 1.00 15.43 O ATOM 255 OE2 GLU A 16 -14.526 1.770 5.069 1.00 5.33 O ATOM 0 H GLU A 16 -12.421 -2.273 1.777 1.00 42.43 H new ATOM 0 HA GLU A 16 -14.149 -0.142 2.448 1.00 13.15 H new ATOM 0 HB2 GLU A 16 -12.898 -1.650 4.024 1.00 22.35 H new ATOM 0 HB3 GLU A 16 -11.392 -0.913 3.515 1.00 22.35 H new ATOM 0 HG2 GLU A 16 -12.044 0.018 5.663 1.00 53.35 H new ATOM 0 HG3 GLU A 16 -12.142 1.276 4.446 1.00 53.35 H new ATOM 262 N VAL A 17 -11.101 0.810 1.471 1.00 13.43 N ATOM 263 CA VAL A 17 -10.298 1.940 0.969 1.00 54.14 C ATOM 264 C VAL A 17 -10.721 2.348 -0.463 1.00 42.53 C ATOM 265 O VAL A 17 -10.673 3.528 -0.795 1.00 74.54 O ATOM 266 CB VAL A 17 -8.755 1.620 1.021 1.00 13.12 C ATOM 267 CG1 VAL A 17 -7.910 2.825 0.531 1.00 53.23 C ATOM 268 CG2 VAL A 17 -8.325 1.202 2.451 1.00 14.35 C ATOM 0 H VAL A 17 -10.559 -0.039 1.631 1.00 13.43 H new ATOM 0 HA VAL A 17 -10.490 2.785 1.630 1.00 54.14 H new ATOM 0 HB VAL A 17 -8.571 0.784 0.346 1.00 13.12 H new ATOM 0 HG11 VAL A 17 -6.851 2.571 0.580 1.00 53.23 H new ATOM 0 HG12 VAL A 17 -8.179 3.064 -0.498 1.00 53.23 H new ATOM 0 HG13 VAL A 17 -8.105 3.689 1.167 1.00 53.23 H new ATOM 0 HG21 VAL A 17 -7.257 0.986 2.461 1.00 14.35 H new ATOM 0 HG22 VAL A 17 -8.538 2.013 3.147 1.00 14.35 H new ATOM 0 HG23 VAL A 17 -8.878 0.312 2.752 1.00 14.35 H new ATOM 278 N ARG A 18 -11.142 1.367 -1.297 1.00 2.53 N ATOM 279 CA ARG A 18 -11.633 1.643 -2.672 1.00 64.12 C ATOM 280 C ARG A 18 -12.986 2.379 -2.653 1.00 71.11 C ATOM 281 O ARG A 18 -13.224 3.265 -3.481 1.00 54.45 O ATOM 282 CB ARG A 18 -11.768 0.342 -3.506 1.00 23.55 C ATOM 283 CG ARG A 18 -10.450 -0.418 -3.730 1.00 64.01 C ATOM 284 CD ARG A 18 -10.586 -1.564 -4.744 1.00 64.21 C ATOM 285 NE ARG A 18 -11.653 -2.523 -4.392 1.00 4.54 N ATOM 286 CZ ARG A 18 -12.022 -3.574 -5.152 1.00 61.51 C ATOM 287 NH1 ARG A 18 -11.441 -3.814 -6.322 1.00 31.00 N ATOM 288 NH2 ARG A 18 -12.995 -4.365 -4.735 1.00 41.21 N ATOM 0 H ARG A 18 -11.152 0.379 -1.044 1.00 2.53 H new ATOM 0 HA ARG A 18 -10.888 2.285 -3.142 1.00 64.12 H new ATOM 0 HB2 ARG A 18 -12.474 -0.322 -3.007 1.00 23.55 H new ATOM 0 HB3 ARG A 18 -12.197 0.592 -4.476 1.00 23.55 H new ATOM 0 HG2 ARG A 18 -9.689 0.280 -4.078 1.00 64.01 H new ATOM 0 HG3 ARG A 18 -10.102 -0.821 -2.779 1.00 64.01 H new ATOM 0 HD2 ARG A 18 -10.791 -1.147 -5.730 1.00 64.21 H new ATOM 0 HD3 ARG A 18 -9.637 -2.095 -4.813 1.00 64.21 H new ATOM 0 HE ARG A 18 -12.146 -2.380 -3.511 1.00 4.54 H new ATOM 0 HH11 ARG A 18 -10.702 -3.198 -6.660 1.00 31.00 H new ATOM 0 HH12 ARG A 18 -11.734 -4.614 -6.882 1.00 31.00 H new ATOM 0 HH21 ARG A 18 -13.459 -4.178 -3.846 1.00 41.21 H new ATOM 0 HH22 ARG A 18 -13.282 -5.163 -5.302 1.00 41.21 H new ATOM 302 N LYS A 19 -13.870 1.981 -1.720 1.00 13.22 N ATOM 303 CA LYS A 19 -15.221 2.569 -1.572 1.00 11.05 C ATOM 304 C LYS A 19 -15.115 4.034 -1.126 1.00 14.11 C ATOM 305 O LYS A 19 -15.896 4.891 -1.555 1.00 51.35 O ATOM 306 CB LYS A 19 -16.047 1.751 -0.536 1.00 54.34 C ATOM 307 CG LYS A 19 -17.508 2.225 -0.258 1.00 45.31 C ATOM 308 CD LYS A 19 -18.547 1.806 -1.342 1.00 30.42 C ATOM 309 CE LYS A 19 -18.504 2.657 -2.625 1.00 74.53 C ATOM 310 NZ LYS A 19 -19.506 2.201 -3.617 1.00 53.21 N ATOM 0 H LYS A 19 -13.671 1.242 -1.045 1.00 13.22 H new ATOM 0 HA LYS A 19 -15.729 2.533 -2.536 1.00 11.05 H new ATOM 0 HB2 LYS A 19 -16.086 0.716 -0.876 1.00 54.34 H new ATOM 0 HB3 LYS A 19 -15.504 1.756 0.409 1.00 54.34 H new ATOM 0 HG2 LYS A 19 -17.828 1.827 0.705 1.00 45.31 H new ATOM 0 HG3 LYS A 19 -17.512 3.312 -0.171 1.00 45.31 H new ATOM 0 HD2 LYS A 19 -18.377 0.762 -1.607 1.00 30.42 H new ATOM 0 HD3 LYS A 19 -19.547 1.868 -0.913 1.00 30.42 H new ATOM 0 HE2 LYS A 19 -18.688 3.702 -2.375 1.00 74.53 H new ATOM 0 HE3 LYS A 19 -17.507 2.605 -3.063 1.00 74.53 H new ATOM 0 HZ1 LYS A 19 -19.448 2.797 -4.468 1.00 53.21 H new ATOM 0 HZ2 LYS A 19 -19.315 1.211 -3.874 1.00 53.21 H new ATOM 0 HZ3 LYS A 19 -20.459 2.275 -3.207 1.00 53.21 H new ATOM 324 N LYS A 20 -14.129 4.302 -0.264 1.00 71.22 N ATOM 325 CA LYS A 20 -13.856 5.648 0.252 1.00 4.24 C ATOM 326 C LYS A 20 -13.071 6.476 -0.780 1.00 61.22 C ATOM 327 O LYS A 20 -13.358 7.658 -0.988 1.00 24.13 O ATOM 328 CB LYS A 20 -13.072 5.539 1.583 1.00 63.32 C ATOM 329 CG LYS A 20 -13.820 4.745 2.673 1.00 41.42 C ATOM 330 CD LYS A 20 -13.020 4.590 3.983 1.00 65.20 C ATOM 331 CE LYS A 20 -12.792 5.918 4.717 1.00 31.01 C ATOM 332 NZ LYS A 20 -12.190 5.699 6.057 1.00 12.34 N ATOM 0 H LYS A 20 -13.495 3.589 0.097 1.00 71.22 H new ATOM 0 HA LYS A 20 -14.801 6.159 0.437 1.00 4.24 H new ATOM 0 HB2 LYS A 20 -12.111 5.062 1.392 1.00 63.32 H new ATOM 0 HB3 LYS A 20 -12.861 6.542 1.955 1.00 63.32 H new ATOM 0 HG2 LYS A 20 -14.764 5.244 2.891 1.00 41.42 H new ATOM 0 HG3 LYS A 20 -14.064 3.755 2.287 1.00 41.42 H new ATOM 0 HD2 LYS A 20 -13.549 3.904 4.644 1.00 65.20 H new ATOM 0 HD3 LYS A 20 -12.054 4.136 3.759 1.00 65.20 H new ATOM 0 HE2 LYS A 20 -12.139 6.557 4.123 1.00 31.01 H new ATOM 0 HE3 LYS A 20 -13.741 6.444 4.824 1.00 31.01 H new ATOM 0 HZ1 LYS A 20 -12.384 6.521 6.663 1.00 12.34 H new ATOM 0 HZ2 LYS A 20 -12.602 4.846 6.487 1.00 12.34 H new ATOM 0 HZ3 LYS A 20 -11.162 5.576 5.960 1.00 12.34 H new ATOM 346 N PHE A 21 -12.089 5.824 -1.441 1.00 35.52 N ATOM 347 CA PHE A 21 -11.134 6.477 -2.365 1.00 20.42 C ATOM 348 C PHE A 21 -10.931 5.588 -3.614 1.00 35.02 C ATOM 349 O PHE A 21 -10.061 4.706 -3.615 1.00 41.20 O ATOM 350 CB PHE A 21 -9.754 6.726 -1.675 1.00 42.21 C ATOM 351 CG PHE A 21 -9.834 7.360 -0.294 1.00 0.24 C ATOM 352 CD1 PHE A 21 -10.177 8.705 -0.138 1.00 52.31 C ATOM 353 CD2 PHE A 21 -9.586 6.606 0.853 1.00 52.32 C ATOM 354 CE1 PHE A 21 -10.252 9.273 1.115 1.00 60.41 C ATOM 355 CE2 PHE A 21 -9.664 7.184 2.105 1.00 12.13 C ATOM 356 CZ PHE A 21 -10.000 8.508 2.234 1.00 15.22 C ATOM 0 H PHE A 21 -11.935 4.820 -1.347 1.00 35.52 H new ATOM 0 HA PHE A 21 -11.550 7.442 -2.655 1.00 20.42 H new ATOM 0 HB2 PHE A 21 -9.229 5.775 -1.592 1.00 42.21 H new ATOM 0 HB3 PHE A 21 -9.152 7.367 -2.319 1.00 42.21 H new ATOM 0 HD1 PHE A 21 -10.386 9.307 -1.010 1.00 52.31 H new ATOM 0 HD2 PHE A 21 -9.331 5.561 0.761 1.00 52.32 H new ATOM 0 HE1 PHE A 21 -10.508 10.317 1.221 1.00 60.41 H new ATOM 0 HE2 PHE A 21 -9.460 6.592 2.985 1.00 12.13 H new ATOM 0 HZ PHE A 21 -10.067 8.953 3.216 1.00 15.22 H new ATOM 366 N PRO A 22 -11.761 5.768 -4.686 1.00 44.14 N ATOM 367 CA PRO A 22 -11.554 5.063 -5.979 1.00 11.44 C ATOM 368 C PRO A 22 -10.380 5.663 -6.788 1.00 20.34 C ATOM 369 O PRO A 22 -9.993 5.117 -7.815 1.00 40.14 O ATOM 370 CB PRO A 22 -12.917 5.239 -6.721 1.00 24.01 C ATOM 371 CG PRO A 22 -13.856 5.861 -5.712 1.00 71.22 C ATOM 372 CD PRO A 22 -12.981 6.619 -4.734 1.00 60.20 C ATOM 0 HA PRO A 22 -11.282 4.016 -5.841 1.00 11.44 H new ATOM 0 HB2 PRO A 22 -12.806 5.877 -7.598 1.00 24.01 H new ATOM 0 HB3 PRO A 22 -13.299 4.280 -7.071 1.00 24.01 H new ATOM 0 HG2 PRO A 22 -14.565 6.530 -6.200 1.00 71.22 H new ATOM 0 HG3 PRO A 22 -14.440 5.096 -5.200 1.00 71.22 H new ATOM 0 HD2 PRO A 22 -12.761 7.628 -5.081 1.00 60.20 H new ATOM 0 HD3 PRO A 22 -13.451 6.714 -3.755 1.00 60.20 H new ATOM 380 N GLN A 23 -9.820 6.787 -6.296 1.00 71.22 N ATOM 381 CA GLN A 23 -8.744 7.540 -6.978 1.00 42.42 C ATOM 382 C GLN A 23 -7.334 7.101 -6.513 1.00 15.31 C ATOM 383 O GLN A 23 -6.331 7.601 -7.035 1.00 53.20 O ATOM 384 CB GLN A 23 -8.954 9.059 -6.747 1.00 23.41 C ATOM 385 CG GLN A 23 -9.036 9.481 -5.259 1.00 52.30 C ATOM 386 CD GLN A 23 -9.409 10.951 -5.067 1.00 63.53 C ATOM 387 OE1 GLN A 23 -9.072 11.814 -5.878 1.00 24.13 O ATOM 388 NE2 GLN A 23 -10.122 11.247 -3.999 1.00 54.14 N ATOM 0 H GLN A 23 -10.103 7.202 -5.408 1.00 71.22 H new ATOM 0 HA GLN A 23 -8.800 7.321 -8.044 1.00 42.42 H new ATOM 0 HB2 GLN A 23 -8.135 9.601 -7.220 1.00 23.41 H new ATOM 0 HB3 GLN A 23 -9.872 9.366 -7.249 1.00 23.41 H new ATOM 0 HG2 GLN A 23 -9.772 8.857 -4.752 1.00 52.30 H new ATOM 0 HG3 GLN A 23 -8.075 9.292 -4.781 1.00 52.30 H new ATOM 0 HE21 GLN A 23 -10.388 10.512 -3.343 1.00 54.14 H new ATOM 0 HE22 GLN A 23 -10.408 12.211 -3.828 1.00 54.14 H new ATOM 397 N VAL A 24 -7.259 6.187 -5.521 1.00 25.12 N ATOM 398 CA VAL A 24 -5.975 5.588 -5.079 1.00 61.22 C ATOM 399 C VAL A 24 -5.886 4.133 -5.576 1.00 21.23 C ATOM 400 O VAL A 24 -6.916 3.460 -5.735 1.00 75.35 O ATOM 401 CB VAL A 24 -5.765 5.655 -3.513 1.00 72.41 C ATOM 402 CG1 VAL A 24 -5.826 7.118 -2.999 1.00 3.20 C ATOM 403 CG2 VAL A 24 -6.766 4.749 -2.752 1.00 44.24 C ATOM 0 H VAL A 24 -8.072 5.846 -5.009 1.00 25.12 H new ATOM 0 HA VAL A 24 -5.173 6.181 -5.519 1.00 61.22 H new ATOM 0 HB VAL A 24 -4.766 5.269 -3.308 1.00 72.41 H new ATOM 0 HG11 VAL A 24 -5.678 7.131 -1.919 1.00 3.20 H new ATOM 0 HG12 VAL A 24 -5.043 7.705 -3.479 1.00 3.20 H new ATOM 0 HG13 VAL A 24 -6.799 7.547 -3.237 1.00 3.20 H new ATOM 0 HG21 VAL A 24 -6.585 4.827 -1.680 1.00 44.24 H new ATOM 0 HG22 VAL A 24 -7.785 5.068 -2.972 1.00 44.24 H new ATOM 0 HG23 VAL A 24 -6.633 3.714 -3.068 1.00 44.24 H new ATOM 413 N GLU A 25 -4.649 3.669 -5.847 1.00 71.34 N ATOM 414 CA GLU A 25 -4.384 2.309 -6.345 1.00 25.54 C ATOM 415 C GLU A 25 -4.210 1.357 -5.159 1.00 43.52 C ATOM 416 O GLU A 25 -3.167 1.352 -4.503 1.00 23.13 O ATOM 417 CB GLU A 25 -3.138 2.282 -7.281 1.00 13.23 C ATOM 418 CG GLU A 25 -3.388 2.821 -8.712 1.00 70.11 C ATOM 419 CD GLU A 25 -3.926 4.264 -8.761 1.00 20.11 C ATOM 420 OE1 GLU A 25 -3.141 5.208 -8.561 1.00 21.04 O ATOM 421 OE2 GLU A 25 -5.135 4.457 -9.013 1.00 24.24 O ATOM 0 H GLU A 25 -3.806 4.230 -5.726 1.00 71.34 H new ATOM 0 HA GLU A 25 -5.235 1.979 -6.940 1.00 25.54 H new ATOM 0 HB2 GLU A 25 -2.343 2.869 -6.821 1.00 13.23 H new ATOM 0 HB3 GLU A 25 -2.777 1.256 -7.352 1.00 13.23 H new ATOM 0 HG2 GLU A 25 -2.455 2.774 -9.273 1.00 70.11 H new ATOM 0 HG3 GLU A 25 -4.097 2.164 -9.216 1.00 70.11 H new ATOM 428 N VAL A 26 -5.253 0.568 -4.884 1.00 12.50 N ATOM 429 CA VAL A 26 -5.259 -0.400 -3.781 1.00 35.12 C ATOM 430 C VAL A 26 -4.782 -1.767 -4.316 1.00 15.42 C ATOM 431 O VAL A 26 -5.237 -2.219 -5.369 1.00 30.03 O ATOM 432 CB VAL A 26 -6.687 -0.512 -3.128 1.00 33.12 C ATOM 433 CG1 VAL A 26 -6.711 -1.520 -1.947 1.00 54.41 C ATOM 434 CG2 VAL A 26 -7.175 0.886 -2.673 1.00 54.14 C ATOM 0 H VAL A 26 -6.120 0.582 -5.421 1.00 12.50 H new ATOM 0 HA VAL A 26 -4.580 -0.060 -2.999 1.00 35.12 H new ATOM 0 HB VAL A 26 -7.370 -0.896 -3.885 1.00 33.12 H new ATOM 0 HG11 VAL A 26 -7.716 -1.565 -1.527 1.00 54.41 H new ATOM 0 HG12 VAL A 26 -6.424 -2.508 -2.306 1.00 54.41 H new ATOM 0 HG13 VAL A 26 -6.010 -1.196 -1.178 1.00 54.41 H new ATOM 0 HG21 VAL A 26 -8.164 0.797 -2.223 1.00 54.14 H new ATOM 0 HG22 VAL A 26 -6.478 1.294 -1.941 1.00 54.14 H new ATOM 0 HG23 VAL A 26 -7.227 1.551 -3.535 1.00 54.14 H new ATOM 444 N ARG A 27 -3.832 -2.394 -3.603 1.00 72.43 N ATOM 445 CA ARG A 27 -3.232 -3.681 -3.992 1.00 32.14 C ATOM 446 C ARG A 27 -3.419 -4.701 -2.864 1.00 13.24 C ATOM 447 O ARG A 27 -2.876 -4.529 -1.769 1.00 72.23 O ATOM 448 CB ARG A 27 -1.724 -3.490 -4.310 1.00 43.44 C ATOM 449 CG ARG A 27 -1.434 -2.611 -5.551 1.00 24.54 C ATOM 450 CD ARG A 27 -2.013 -3.204 -6.852 1.00 34.15 C ATOM 451 NE ARG A 27 -1.812 -2.300 -8.000 1.00 50.42 N ATOM 452 CZ ARG A 27 -2.727 -1.447 -8.483 1.00 33.44 C ATOM 453 NH1 ARG A 27 -3.935 -1.343 -7.937 1.00 12.32 N ATOM 454 NH2 ARG A 27 -2.426 -0.698 -9.526 1.00 24.23 N ATOM 0 H ARG A 27 -3.455 -2.018 -2.733 1.00 72.43 H new ATOM 0 HA ARG A 27 -3.729 -4.054 -4.888 1.00 32.14 H new ATOM 0 HB2 ARG A 27 -1.237 -3.044 -3.443 1.00 43.44 H new ATOM 0 HB3 ARG A 27 -1.271 -4.470 -4.461 1.00 43.44 H new ATOM 0 HG2 ARG A 27 -1.852 -1.617 -5.392 1.00 24.54 H new ATOM 0 HG3 ARG A 27 -0.356 -2.489 -5.661 1.00 24.54 H new ATOM 0 HD2 ARG A 27 -1.539 -4.164 -7.057 1.00 34.15 H new ATOM 0 HD3 ARG A 27 -3.078 -3.396 -6.722 1.00 34.15 H new ATOM 0 HE ARG A 27 -0.904 -2.326 -8.464 1.00 50.42 H new ATOM 0 HH11 ARG A 27 -4.183 -1.920 -7.133 1.00 12.32 H new ATOM 0 HH12 ARG A 27 -4.614 -0.687 -8.322 1.00 12.32 H new ATOM 0 HH21 ARG A 27 -1.505 -0.771 -9.957 1.00 24.23 H new ATOM 0 HH22 ARG A 27 -3.115 -0.046 -9.901 1.00 24.23 H new ATOM 468 N LEU A 28 -4.207 -5.742 -3.142 1.00 41.10 N ATOM 469 CA LEU A 28 -4.450 -6.842 -2.207 1.00 13.52 C ATOM 470 C LEU A 28 -3.357 -7.900 -2.380 1.00 24.14 C ATOM 471 O LEU A 28 -3.368 -8.650 -3.362 1.00 31.33 O ATOM 472 CB LEU A 28 -5.836 -7.477 -2.469 1.00 44.12 C ATOM 473 CG LEU A 28 -6.184 -8.742 -1.609 1.00 40.50 C ATOM 474 CD1 LEU A 28 -6.320 -8.393 -0.117 1.00 44.10 C ATOM 475 CD2 LEU A 28 -7.441 -9.446 -2.146 1.00 23.24 C ATOM 0 H LEU A 28 -4.698 -5.846 -4.030 1.00 41.10 H new ATOM 0 HA LEU A 28 -4.432 -6.455 -1.188 1.00 13.52 H new ATOM 0 HB2 LEU A 28 -6.600 -6.720 -2.292 1.00 44.12 H new ATOM 0 HB3 LEU A 28 -5.896 -7.750 -3.523 1.00 44.12 H new ATOM 0 HG LEU A 28 -5.353 -9.441 -1.697 1.00 40.50 H new ATOM 0 HD11 LEU A 28 -6.561 -9.294 0.447 1.00 44.10 H new ATOM 0 HD12 LEU A 28 -5.380 -7.978 0.247 1.00 44.10 H new ATOM 0 HD13 LEU A 28 -7.115 -7.659 0.014 1.00 44.10 H new ATOM 0 HD21 LEU A 28 -7.659 -10.319 -1.531 1.00 23.24 H new ATOM 0 HD22 LEU A 28 -8.286 -8.758 -2.112 1.00 23.24 H new ATOM 0 HD23 LEU A 28 -7.270 -9.760 -3.176 1.00 23.24 H new ATOM 487 N VAL A 29 -2.439 -7.961 -1.414 1.00 43.42 N ATOM 488 CA VAL A 29 -1.349 -8.935 -1.409 1.00 0.12 C ATOM 489 C VAL A 29 -1.860 -10.232 -0.773 1.00 25.24 C ATOM 490 O VAL A 29 -2.200 -10.274 0.414 1.00 71.01 O ATOM 491 CB VAL A 29 -0.090 -8.379 -0.648 1.00 11.53 C ATOM 492 CG1 VAL A 29 0.974 -9.482 -0.389 1.00 54.33 C ATOM 493 CG2 VAL A 29 0.526 -7.198 -1.437 1.00 51.32 C ATOM 0 H VAL A 29 -2.432 -7.333 -0.610 1.00 43.42 H new ATOM 0 HA VAL A 29 -1.031 -9.133 -2.432 1.00 0.12 H new ATOM 0 HB VAL A 29 -0.423 -8.025 0.328 1.00 11.53 H new ATOM 0 HG11 VAL A 29 1.824 -9.050 0.139 1.00 54.33 H new ATOM 0 HG12 VAL A 29 0.536 -10.275 0.217 1.00 54.33 H new ATOM 0 HG13 VAL A 29 1.309 -9.895 -1.340 1.00 54.33 H new ATOM 0 HG21 VAL A 29 1.397 -6.819 -0.903 1.00 51.32 H new ATOM 0 HG22 VAL A 29 0.828 -7.540 -2.427 1.00 51.32 H new ATOM 0 HG23 VAL A 29 -0.213 -6.403 -1.537 1.00 51.32 H new ATOM 503 N THR A 30 -1.975 -11.258 -1.619 1.00 41.34 N ATOM 504 CA THR A 30 -2.414 -12.605 -1.238 1.00 22.21 C ATOM 505 C THR A 30 -1.195 -13.542 -1.112 1.00 53.14 C ATOM 506 O THR A 30 -1.102 -14.350 -0.183 1.00 63.40 O ATOM 507 CB THR A 30 -3.412 -13.144 -2.317 1.00 15.22 C ATOM 508 OG1 THR A 30 -2.848 -12.961 -3.633 1.00 33.13 O ATOM 509 CG2 THR A 30 -4.776 -12.431 -2.242 1.00 54.41 C ATOM 0 H THR A 30 -1.760 -11.175 -2.613 1.00 41.34 H new ATOM 0 HA THR A 30 -2.917 -12.568 -0.272 1.00 22.21 H new ATOM 0 HB THR A 30 -3.574 -14.204 -2.120 1.00 15.22 H new ATOM 0 HG1 THR A 30 -3.473 -13.300 -4.307 1.00 33.13 H new ATOM 0 HG21 THR A 30 -5.440 -12.834 -3.007 1.00 54.41 H new ATOM 0 HG22 THR A 30 -5.217 -12.591 -1.258 1.00 54.41 H new ATOM 0 HG23 THR A 30 -4.638 -11.363 -2.408 1.00 54.41 H new ATOM 517 N THR A 31 -0.269 -13.417 -2.078 1.00 72.34 N ATOM 518 CA THR A 31 1.013 -14.149 -2.102 1.00 50.14 C ATOM 519 C THR A 31 2.181 -13.144 -2.093 1.00 62.52 C ATOM 520 O THR A 31 1.969 -11.933 -2.257 1.00 74.33 O ATOM 521 CB THR A 31 1.119 -15.058 -3.378 1.00 64.23 C ATOM 522 OG1 THR A 31 1.011 -14.251 -4.567 1.00 41.10 O ATOM 523 CG2 THR A 31 0.040 -16.165 -3.403 1.00 11.41 C ATOM 0 H THR A 31 -0.390 -12.795 -2.877 1.00 72.34 H new ATOM 0 HA THR A 31 1.061 -14.785 -1.218 1.00 50.14 H new ATOM 0 HB THR A 31 2.092 -15.548 -3.345 1.00 64.23 H new ATOM 0 HG1 THR A 31 1.080 -14.824 -5.359 1.00 41.10 H new ATOM 0 HG21 THR A 31 0.156 -16.766 -4.305 1.00 11.41 H new ATOM 0 HG22 THR A 31 0.152 -16.802 -2.526 1.00 11.41 H new ATOM 0 HG23 THR A 31 -0.950 -15.709 -3.396 1.00 11.41 H new ATOM 531 N GLU A 32 3.416 -13.654 -1.914 1.00 33.42 N ATOM 532 CA GLU A 32 4.642 -12.843 -2.046 1.00 20.20 C ATOM 533 C GLU A 32 4.809 -12.395 -3.510 1.00 14.15 C ATOM 534 O GLU A 32 5.301 -11.302 -3.768 1.00 60.41 O ATOM 535 CB GLU A 32 5.900 -13.626 -1.586 1.00 1.22 C ATOM 536 CG GLU A 32 7.213 -12.808 -1.660 1.00 11.22 C ATOM 537 CD GLU A 32 8.473 -13.650 -1.443 1.00 51.44 C ATOM 538 OE1 GLU A 32 9.024 -14.177 -2.438 1.00 1.21 O ATOM 539 OE2 GLU A 32 8.920 -13.788 -0.288 1.00 74.53 O ATOM 0 H GLU A 32 3.591 -14.630 -1.676 1.00 33.42 H new ATOM 0 HA GLU A 32 4.541 -11.971 -1.401 1.00 20.20 H new ATOM 0 HB2 GLU A 32 5.751 -13.962 -0.560 1.00 1.22 H new ATOM 0 HB3 GLU A 32 6.005 -14.519 -2.202 1.00 1.22 H new ATOM 0 HG2 GLU A 32 7.274 -12.322 -2.634 1.00 11.22 H new ATOM 0 HG3 GLU A 32 7.181 -12.017 -0.911 1.00 11.22 H new ATOM 546 N GLU A 33 4.372 -13.255 -4.453 1.00 15.45 N ATOM 547 CA GLU A 33 4.392 -12.958 -5.897 1.00 52.42 C ATOM 548 C GLU A 33 3.473 -11.775 -6.226 1.00 30.35 C ATOM 549 O GLU A 33 3.755 -10.992 -7.141 1.00 64.22 O ATOM 550 CB GLU A 33 3.974 -14.206 -6.715 1.00 65.32 C ATOM 551 CG GLU A 33 4.866 -15.442 -6.484 1.00 32.12 C ATOM 552 CD GLU A 33 6.368 -15.178 -6.703 1.00 34.15 C ATOM 553 OE1 GLU A 33 6.784 -14.965 -7.863 1.00 60.22 O ATOM 554 OE2 GLU A 33 7.141 -15.183 -5.721 1.00 0.33 O ATOM 0 H GLU A 33 3.995 -14.177 -4.232 1.00 15.45 H new ATOM 0 HA GLU A 33 5.411 -12.686 -6.171 1.00 52.42 H new ATOM 0 HB2 GLU A 33 2.945 -14.463 -6.464 1.00 65.32 H new ATOM 0 HB3 GLU A 33 3.990 -13.954 -7.775 1.00 65.32 H new ATOM 0 HG2 GLU A 33 4.715 -15.802 -5.466 1.00 32.12 H new ATOM 0 HG3 GLU A 33 4.546 -16.239 -7.155 1.00 32.12 H new ATOM 561 N ASP A 34 2.367 -11.660 -5.471 1.00 54.10 N ATOM 562 CA ASP A 34 1.448 -10.521 -5.584 1.00 54.23 C ATOM 563 C ASP A 34 2.168 -9.249 -5.112 1.00 45.34 C ATOM 564 O ASP A 34 2.111 -8.218 -5.786 1.00 13.53 O ATOM 565 CB ASP A 34 0.156 -10.761 -4.757 1.00 74.55 C ATOM 566 CG ASP A 34 -0.979 -9.774 -5.106 1.00 13.22 C ATOM 567 OD1 ASP A 34 -0.852 -8.566 -4.812 1.00 62.32 O ATOM 568 OD2 ASP A 34 -1.993 -10.207 -5.686 1.00 12.34 O ATOM 0 H ASP A 34 2.089 -12.349 -4.772 1.00 54.10 H new ATOM 0 HA ASP A 34 1.149 -10.405 -6.626 1.00 54.23 H new ATOM 0 HB2 ASP A 34 -0.192 -11.780 -4.926 1.00 74.55 H new ATOM 0 HB3 ASP A 34 0.390 -10.676 -3.696 1.00 74.55 H new ATOM 573 N ALA A 35 2.863 -9.356 -3.953 1.00 54.11 N ATOM 574 CA ALA A 35 3.673 -8.261 -3.387 1.00 72.10 C ATOM 575 C ALA A 35 4.746 -7.790 -4.384 1.00 11.12 C ATOM 576 O ALA A 35 5.007 -6.602 -4.488 1.00 42.52 O ATOM 577 CB ALA A 35 4.326 -8.689 -2.060 1.00 65.32 C ATOM 0 H ALA A 35 2.875 -10.205 -3.388 1.00 54.11 H new ATOM 0 HA ALA A 35 3.003 -7.425 -3.188 1.00 72.10 H new ATOM 0 HB1 ALA A 35 4.918 -7.864 -1.663 1.00 65.32 H new ATOM 0 HB2 ALA A 35 3.550 -8.957 -1.343 1.00 65.32 H new ATOM 0 HB3 ALA A 35 4.973 -9.549 -2.234 1.00 65.32 H new ATOM 583 N LYS A 36 5.341 -8.751 -5.119 1.00 73.33 N ATOM 584 CA LYS A 36 6.352 -8.478 -6.159 1.00 23.04 C ATOM 585 C LYS A 36 5.748 -7.701 -7.341 1.00 42.32 C ATOM 586 O LYS A 36 6.404 -6.813 -7.885 1.00 65.03 O ATOM 587 CB LYS A 36 6.995 -9.807 -6.632 1.00 24.24 C ATOM 588 CG LYS A 36 7.860 -10.491 -5.546 1.00 71.22 C ATOM 589 CD LYS A 36 8.275 -11.937 -5.911 1.00 32.32 C ATOM 590 CE LYS A 36 9.110 -12.040 -7.201 1.00 43.32 C ATOM 591 NZ LYS A 36 9.446 -13.456 -7.517 1.00 22.21 N ATOM 0 H LYS A 36 5.132 -9.743 -5.007 1.00 73.33 H new ATOM 0 HA LYS A 36 7.129 -7.848 -5.726 1.00 23.04 H new ATOM 0 HB2 LYS A 36 6.207 -10.493 -6.944 1.00 24.24 H new ATOM 0 HB3 LYS A 36 7.613 -9.612 -7.509 1.00 24.24 H new ATOM 0 HG2 LYS A 36 8.757 -9.895 -5.378 1.00 71.22 H new ATOM 0 HG3 LYS A 36 7.306 -10.506 -4.607 1.00 71.22 H new ATOM 0 HD2 LYS A 36 8.847 -12.360 -5.085 1.00 32.32 H new ATOM 0 HD3 LYS A 36 7.377 -12.545 -6.021 1.00 32.32 H new ATOM 0 HE2 LYS A 36 8.556 -11.602 -8.031 1.00 43.32 H new ATOM 0 HE3 LYS A 36 10.028 -11.462 -7.090 1.00 43.32 H new ATOM 0 HZ1 LYS A 36 10.023 -13.491 -8.382 1.00 22.21 H new ATOM 0 HZ2 LYS A 36 9.980 -13.871 -6.727 1.00 22.21 H new ATOM 0 HZ3 LYS A 36 8.570 -13.996 -7.663 1.00 22.21 H new ATOM 605 N GLN A 37 4.494 -8.042 -7.728 1.00 51.14 N ATOM 606 CA GLN A 37 3.746 -7.292 -8.766 1.00 52.01 C ATOM 607 C GLN A 37 3.562 -5.826 -8.333 1.00 4.43 C ATOM 608 O GLN A 37 3.664 -4.914 -9.155 1.00 22.53 O ATOM 609 CB GLN A 37 2.360 -7.937 -9.059 1.00 25.31 C ATOM 610 CG GLN A 37 2.423 -9.326 -9.706 1.00 73.12 C ATOM 611 CD GLN A 37 1.042 -9.929 -9.959 1.00 52.21 C ATOM 612 OE1 GLN A 37 0.443 -9.723 -11.014 1.00 52.13 O ATOM 613 NE2 GLN A 37 0.518 -10.663 -8.991 1.00 41.23 N ATOM 0 H GLN A 37 3.980 -8.831 -7.337 1.00 51.14 H new ATOM 0 HA GLN A 37 4.332 -7.329 -9.685 1.00 52.01 H new ATOM 0 HB2 GLN A 37 1.804 -8.012 -8.124 1.00 25.31 H new ATOM 0 HB3 GLN A 37 1.796 -7.272 -9.713 1.00 25.31 H new ATOM 0 HG2 GLN A 37 2.962 -9.257 -10.651 1.00 73.12 H new ATOM 0 HG3 GLN A 37 2.993 -9.995 -9.062 1.00 73.12 H new ATOM 0 HE21 GLN A 37 1.039 -10.816 -8.128 1.00 41.23 H new ATOM 0 HE22 GLN A 37 -0.407 -11.076 -9.108 1.00 41.23 H new ATOM 622 N VAL A 38 3.297 -5.627 -7.025 1.00 60.43 N ATOM 623 CA VAL A 38 3.162 -4.290 -6.428 1.00 23.24 C ATOM 624 C VAL A 38 4.509 -3.525 -6.524 1.00 14.24 C ATOM 625 O VAL A 38 4.546 -2.446 -7.098 1.00 30.12 O ATOM 626 CB VAL A 38 2.669 -4.363 -4.927 1.00 61.13 C ATOM 627 CG1 VAL A 38 2.381 -2.953 -4.363 1.00 14.54 C ATOM 628 CG2 VAL A 38 1.422 -5.274 -4.791 1.00 53.43 C ATOM 0 H VAL A 38 3.172 -6.389 -6.358 1.00 60.43 H new ATOM 0 HA VAL A 38 2.403 -3.748 -6.992 1.00 23.24 H new ATOM 0 HB VAL A 38 3.474 -4.803 -4.338 1.00 61.13 H new ATOM 0 HG11 VAL A 38 2.044 -3.036 -3.330 1.00 14.54 H new ATOM 0 HG12 VAL A 38 3.290 -2.353 -4.401 1.00 14.54 H new ATOM 0 HG13 VAL A 38 1.605 -2.474 -4.960 1.00 14.54 H new ATOM 0 HG21 VAL A 38 1.106 -5.305 -3.748 1.00 53.43 H new ATOM 0 HG22 VAL A 38 0.613 -4.877 -5.404 1.00 53.43 H new ATOM 0 HG23 VAL A 38 1.669 -6.282 -5.125 1.00 53.43 H new ATOM 638 N ILE A 39 5.606 -4.150 -6.026 1.00 52.34 N ATOM 639 CA ILE A 39 6.962 -3.530 -5.931 1.00 23.44 C ATOM 640 C ILE A 39 7.487 -3.079 -7.318 1.00 23.30 C ATOM 641 O ILE A 39 7.976 -1.956 -7.465 1.00 41.45 O ATOM 642 CB ILE A 39 8.007 -4.522 -5.269 1.00 73.11 C ATOM 643 CG1 ILE A 39 7.571 -4.927 -3.825 1.00 15.43 C ATOM 644 CG2 ILE A 39 9.440 -3.924 -5.247 1.00 63.44 C ATOM 645 CD1 ILE A 39 8.448 -5.988 -3.167 1.00 31.32 C ATOM 0 H ILE A 39 5.579 -5.107 -5.675 1.00 52.34 H new ATOM 0 HA ILE A 39 6.856 -2.650 -5.296 1.00 23.44 H new ATOM 0 HB ILE A 39 8.025 -5.417 -5.890 1.00 73.11 H new ATOM 0 HG12 ILE A 39 7.570 -4.036 -3.197 1.00 15.43 H new ATOM 0 HG13 ILE A 39 6.545 -5.294 -3.860 1.00 15.43 H new ATOM 0 HG21 ILE A 39 10.124 -4.636 -4.785 1.00 63.44 H new ATOM 0 HG22 ILE A 39 9.764 -3.718 -6.267 1.00 63.44 H new ATOM 0 HG23 ILE A 39 9.439 -2.997 -4.673 1.00 63.44 H new ATOM 0 HD11 ILE A 39 8.069 -6.205 -2.168 1.00 31.32 H new ATOM 0 HD12 ILE A 39 8.431 -6.898 -3.767 1.00 31.32 H new ATOM 0 HD13 ILE A 39 9.472 -5.620 -3.095 1.00 31.32 H new ATOM 657 N LYS A 40 7.371 -3.977 -8.317 1.00 54.23 N ATOM 658 CA LYS A 40 7.837 -3.725 -9.703 1.00 44.41 C ATOM 659 C LYS A 40 7.069 -2.556 -10.352 1.00 71.43 C ATOM 660 O LYS A 40 7.661 -1.723 -11.048 1.00 62.00 O ATOM 661 CB LYS A 40 7.668 -5.006 -10.558 1.00 55.43 C ATOM 662 CG LYS A 40 8.577 -6.185 -10.139 1.00 2.35 C ATOM 663 CD LYS A 40 8.197 -7.508 -10.852 1.00 33.50 C ATOM 664 CE LYS A 40 8.220 -7.398 -12.388 1.00 43.11 C ATOM 665 NZ LYS A 40 7.931 -8.698 -13.043 1.00 63.22 N ATOM 0 H LYS A 40 6.952 -4.898 -8.190 1.00 54.23 H new ATOM 0 HA LYS A 40 8.891 -3.452 -9.659 1.00 44.41 H new ATOM 0 HB2 LYS A 40 6.628 -5.329 -10.503 1.00 55.43 H new ATOM 0 HB3 LYS A 40 7.871 -4.761 -11.600 1.00 55.43 H new ATOM 0 HG2 LYS A 40 9.614 -5.939 -10.366 1.00 2.35 H new ATOM 0 HG3 LYS A 40 8.511 -6.325 -9.060 1.00 2.35 H new ATOM 0 HD2 LYS A 40 8.887 -8.292 -10.540 1.00 33.50 H new ATOM 0 HD3 LYS A 40 7.201 -7.813 -10.531 1.00 33.50 H new ATOM 0 HE2 LYS A 40 7.486 -6.659 -12.710 1.00 43.11 H new ATOM 0 HE3 LYS A 40 9.197 -7.039 -12.711 1.00 43.11 H new ATOM 0 HZ1 LYS A 40 7.956 -8.580 -14.076 1.00 63.22 H new ATOM 0 HZ2 LYS A 40 8.646 -9.397 -12.757 1.00 63.22 H new ATOM 0 HZ3 LYS A 40 6.988 -9.029 -12.756 1.00 63.22 H new ATOM 679 N GLU A 41 5.748 -2.520 -10.102 1.00 62.51 N ATOM 680 CA GLU A 41 4.842 -1.495 -10.640 1.00 34.44 C ATOM 681 C GLU A 41 5.104 -0.133 -9.960 1.00 45.45 C ATOM 682 O GLU A 41 5.022 0.916 -10.598 1.00 25.41 O ATOM 683 CB GLU A 41 3.375 -1.948 -10.437 1.00 33.11 C ATOM 684 CG GLU A 41 2.326 -1.030 -11.080 1.00 33.22 C ATOM 685 CD GLU A 41 0.888 -1.475 -10.785 1.00 25.00 C ATOM 686 OE1 GLU A 41 0.406 -1.206 -9.669 1.00 22.43 O ATOM 687 OE2 GLU A 41 0.225 -2.057 -11.664 1.00 22.22 O ATOM 0 H GLU A 41 5.277 -3.209 -9.515 1.00 62.51 H new ATOM 0 HA GLU A 41 5.026 -1.372 -11.707 1.00 34.44 H new ATOM 0 HB2 GLU A 41 3.259 -2.952 -10.846 1.00 33.11 H new ATOM 0 HB3 GLU A 41 3.174 -2.014 -9.368 1.00 33.11 H new ATOM 0 HG2 GLU A 41 2.469 -0.012 -10.717 1.00 33.22 H new ATOM 0 HG3 GLU A 41 2.481 -1.008 -12.159 1.00 33.22 H new ATOM 694 N ILE A 42 5.438 -0.191 -8.656 1.00 62.21 N ATOM 695 CA ILE A 42 5.819 0.976 -7.848 1.00 74.42 C ATOM 696 C ILE A 42 7.055 1.673 -8.458 1.00 31.13 C ATOM 697 O ILE A 42 7.059 2.890 -8.636 1.00 61.32 O ATOM 698 CB ILE A 42 6.094 0.562 -6.343 1.00 33.24 C ATOM 699 CG1 ILE A 42 4.764 0.235 -5.585 1.00 5.34 C ATOM 700 CG2 ILE A 42 6.893 1.635 -5.578 1.00 25.53 C ATOM 701 CD1 ILE A 42 4.964 -0.378 -4.202 1.00 41.32 C ATOM 0 H ILE A 42 5.450 -1.065 -8.130 1.00 62.21 H new ATOM 0 HA ILE A 42 4.987 1.680 -7.854 1.00 74.42 H new ATOM 0 HB ILE A 42 6.703 -0.341 -6.380 1.00 33.24 H new ATOM 0 HG12 ILE A 42 4.183 1.152 -5.483 1.00 5.34 H new ATOM 0 HG13 ILE A 42 4.173 -0.451 -6.192 1.00 5.34 H new ATOM 0 HG21 ILE A 42 7.056 1.305 -4.552 1.00 25.53 H new ATOM 0 HG22 ILE A 42 7.855 1.789 -6.067 1.00 25.53 H new ATOM 0 HG23 ILE A 42 6.334 2.571 -5.574 1.00 25.53 H new ATOM 0 HD11 ILE A 42 3.993 -0.573 -3.747 1.00 41.32 H new ATOM 0 HD12 ILE A 42 5.516 -1.313 -4.295 1.00 41.32 H new ATOM 0 HD13 ILE A 42 5.526 0.314 -3.575 1.00 41.32 H new ATOM 713 N GLN A 43 8.080 0.866 -8.791 1.00 31.24 N ATOM 714 CA GLN A 43 9.355 1.357 -9.350 1.00 43.24 C ATOM 715 C GLN A 43 9.164 1.936 -10.757 1.00 33.13 C ATOM 716 O GLN A 43 9.765 2.961 -11.105 1.00 22.15 O ATOM 717 CB GLN A 43 10.395 0.214 -9.381 1.00 35.22 C ATOM 718 CG GLN A 43 10.791 -0.303 -7.990 1.00 71.25 C ATOM 719 CD GLN A 43 11.715 -1.514 -8.036 1.00 15.20 C ATOM 720 OE1 GLN A 43 12.491 -1.694 -8.975 1.00 44.11 O ATOM 721 NE2 GLN A 43 11.655 -2.344 -7.015 1.00 11.10 N ATOM 0 H GLN A 43 8.048 -0.147 -8.680 1.00 31.24 H new ATOM 0 HA GLN A 43 9.719 2.158 -8.706 1.00 43.24 H new ATOM 0 HB2 GLN A 43 9.993 -0.614 -9.965 1.00 35.22 H new ATOM 0 HB3 GLN A 43 11.290 0.563 -9.897 1.00 35.22 H new ATOM 0 HG2 GLN A 43 11.282 0.499 -7.439 1.00 71.25 H new ATOM 0 HG3 GLN A 43 9.889 -0.564 -7.437 1.00 71.25 H new ATOM 0 HE21 GLN A 43 11.001 -2.168 -6.252 1.00 11.10 H new ATOM 0 HE22 GLN A 43 12.262 -3.163 -6.987 1.00 11.10 H new ATOM 730 N LYS A 44 8.321 1.258 -11.553 1.00 14.21 N ATOM 731 CA LYS A 44 8.041 1.637 -12.946 1.00 71.01 C ATOM 732 C LYS A 44 7.288 2.982 -13.033 1.00 1.40 C ATOM 733 O LYS A 44 7.635 3.843 -13.854 1.00 61.14 O ATOM 734 CB LYS A 44 7.242 0.499 -13.647 1.00 13.14 C ATOM 735 CG LYS A 44 6.875 0.758 -15.135 1.00 14.31 C ATOM 736 CD LYS A 44 8.097 1.067 -16.041 1.00 41.22 C ATOM 737 CE LYS A 44 9.147 -0.061 -16.069 1.00 11.42 C ATOM 738 NZ LYS A 44 8.581 -1.348 -16.535 1.00 2.32 N ATOM 0 H LYS A 44 7.813 0.428 -11.246 1.00 14.21 H new ATOM 0 HA LYS A 44 8.991 1.775 -13.463 1.00 71.01 H new ATOM 0 HB2 LYS A 44 7.826 -0.420 -13.589 1.00 13.14 H new ATOM 0 HB3 LYS A 44 6.322 0.328 -13.088 1.00 13.14 H new ATOM 0 HG2 LYS A 44 6.356 -0.116 -15.528 1.00 14.31 H new ATOM 0 HG3 LYS A 44 6.177 1.593 -15.186 1.00 14.31 H new ATOM 0 HD2 LYS A 44 7.748 1.252 -17.057 1.00 41.22 H new ATOM 0 HD3 LYS A 44 8.572 1.985 -15.695 1.00 41.22 H new ATOM 0 HE2 LYS A 44 9.970 0.229 -16.722 1.00 11.42 H new ATOM 0 HE3 LYS A 44 9.564 -0.191 -15.070 1.00 11.42 H new ATOM 0 HZ1 LYS A 44 9.333 -2.066 -16.569 1.00 2.32 H new ATOM 0 HZ2 LYS A 44 7.836 -1.657 -15.879 1.00 2.32 H new ATOM 0 HZ3 LYS A 44 8.177 -1.226 -17.485 1.00 2.32 H new ATOM 752 N LYS A 45 6.265 3.153 -12.181 1.00 32.35 N ATOM 753 CA LYS A 45 5.391 4.344 -12.199 1.00 14.24 C ATOM 754 C LYS A 45 5.951 5.463 -11.301 1.00 45.52 C ATOM 755 O LYS A 45 5.522 6.622 -11.395 1.00 74.03 O ATOM 756 CB LYS A 45 3.952 3.933 -11.799 1.00 64.31 C ATOM 757 CG LYS A 45 3.396 2.770 -12.669 1.00 14.23 C ATOM 758 CD LYS A 45 1.879 2.539 -12.527 1.00 24.20 C ATOM 759 CE LYS A 45 1.064 3.763 -12.968 1.00 31.33 C ATOM 760 NZ LYS A 45 -0.361 3.431 -13.224 1.00 14.41 N ATOM 0 H LYS A 45 6.018 2.474 -11.461 1.00 32.35 H new ATOM 0 HA LYS A 45 5.360 4.752 -13.209 1.00 14.24 H new ATOM 0 HB2 LYS A 45 3.942 3.634 -10.751 1.00 64.31 H new ATOM 0 HB3 LYS A 45 3.293 4.797 -11.890 1.00 64.31 H new ATOM 0 HG2 LYS A 45 3.624 2.974 -13.715 1.00 14.23 H new ATOM 0 HG3 LYS A 45 3.918 1.851 -12.402 1.00 14.23 H new ATOM 0 HD2 LYS A 45 1.587 1.675 -13.124 1.00 24.20 H new ATOM 0 HD3 LYS A 45 1.644 2.303 -11.489 1.00 24.20 H new ATOM 0 HE2 LYS A 45 1.123 4.532 -12.198 1.00 31.33 H new ATOM 0 HE3 LYS A 45 1.505 4.183 -13.872 1.00 31.33 H new ATOM 0 HZ1 LYS A 45 -0.870 4.289 -13.519 1.00 14.41 H new ATOM 0 HZ2 LYS A 45 -0.421 2.717 -13.977 1.00 14.41 H new ATOM 0 HZ3 LYS A 45 -0.791 3.055 -12.355 1.00 14.41 H new ATOM 774 N GLY A 46 6.896 5.091 -10.429 1.00 42.30 N ATOM 775 CA GLY A 46 7.688 6.050 -9.645 1.00 61.42 C ATOM 776 C GLY A 46 6.963 6.558 -8.408 1.00 11.21 C ATOM 777 O GLY A 46 6.976 7.761 -8.119 1.00 24.43 O ATOM 0 H GLY A 46 7.134 4.116 -10.246 1.00 42.30 H new ATOM 0 HA2 GLY A 46 8.622 5.577 -9.342 1.00 61.42 H new ATOM 0 HA3 GLY A 46 7.950 6.898 -10.278 1.00 61.42 H new ATOM 781 N VAL A 47 6.357 5.625 -7.665 1.00 55.35 N ATOM 782 CA VAL A 47 5.513 5.930 -6.498 1.00 73.41 C ATOM 783 C VAL A 47 6.394 6.389 -5.323 1.00 42.30 C ATOM 784 O VAL A 47 7.466 5.820 -5.090 1.00 51.21 O ATOM 785 CB VAL A 47 4.680 4.672 -6.081 1.00 10.11 C ATOM 786 CG1 VAL A 47 3.711 4.971 -4.916 1.00 51.00 C ATOM 787 CG2 VAL A 47 3.942 4.086 -7.303 1.00 4.13 C ATOM 0 H VAL A 47 6.438 4.626 -7.857 1.00 55.35 H new ATOM 0 HA VAL A 47 4.823 6.731 -6.765 1.00 73.41 H new ATOM 0 HB VAL A 47 5.378 3.921 -5.711 1.00 10.11 H new ATOM 0 HG11 VAL A 47 3.156 4.068 -4.663 1.00 51.00 H new ATOM 0 HG12 VAL A 47 4.279 5.303 -4.047 1.00 51.00 H new ATOM 0 HG13 VAL A 47 3.014 5.754 -5.215 1.00 51.00 H new ATOM 0 HG21 VAL A 47 3.367 3.212 -6.996 1.00 4.13 H new ATOM 0 HG22 VAL A 47 3.268 4.837 -7.716 1.00 4.13 H new ATOM 0 HG23 VAL A 47 4.669 3.795 -8.062 1.00 4.13 H new ATOM 797 N GLN A 48 5.942 7.421 -4.597 1.00 30.03 N ATOM 798 CA GLN A 48 6.714 8.027 -3.501 1.00 33.00 C ATOM 799 C GLN A 48 6.285 7.413 -2.158 1.00 1.31 C ATOM 800 O GLN A 48 7.131 6.980 -1.370 1.00 51.03 O ATOM 801 CB GLN A 48 6.537 9.577 -3.517 1.00 70.24 C ATOM 802 CG GLN A 48 7.716 10.407 -2.927 1.00 13.40 C ATOM 803 CD GLN A 48 7.666 10.679 -1.418 1.00 31.31 C ATOM 804 OE1 GLN A 48 7.176 9.890 -0.624 1.00 30.03 O ATOM 805 NE2 GLN A 48 8.180 11.825 -1.014 1.00 12.42 N ATOM 0 H GLN A 48 5.034 7.859 -4.752 1.00 30.03 H new ATOM 0 HA GLN A 48 7.775 7.816 -3.638 1.00 33.00 H new ATOM 0 HB2 GLN A 48 6.376 9.893 -4.548 1.00 70.24 H new ATOM 0 HB3 GLN A 48 5.632 9.825 -2.963 1.00 70.24 H new ATOM 0 HG2 GLN A 48 8.647 9.886 -3.150 1.00 13.40 H new ATOM 0 HG3 GLN A 48 7.754 11.365 -3.446 1.00 13.40 H new ATOM 0 HE21 GLN A 48 8.584 12.470 -1.693 1.00 12.42 H new ATOM 0 HE22 GLN A 48 8.173 12.066 -0.023 1.00 12.42 H new ATOM 814 N LYS A 49 4.961 7.381 -1.910 1.00 21.13 N ATOM 815 CA LYS A 49 4.393 6.883 -0.643 1.00 54.34 C ATOM 816 C LYS A 49 3.566 5.625 -0.892 1.00 70.51 C ATOM 817 O LYS A 49 2.807 5.556 -1.863 1.00 52.35 O ATOM 818 CB LYS A 49 3.515 7.981 0.034 1.00 74.30 C ATOM 819 CG LYS A 49 4.298 9.267 0.356 1.00 32.21 C ATOM 820 CD LYS A 49 3.550 10.272 1.261 1.00 55.21 C ATOM 821 CE LYS A 49 4.478 11.420 1.705 1.00 22.42 C ATOM 822 NZ LYS A 49 3.925 12.200 2.840 1.00 64.12 N ATOM 0 H LYS A 49 4.259 7.698 -2.579 1.00 21.13 H new ATOM 0 HA LYS A 49 5.215 6.635 0.029 1.00 54.34 H new ATOM 0 HB2 LYS A 49 2.680 8.226 -0.622 1.00 74.30 H new ATOM 0 HB3 LYS A 49 3.090 7.581 0.955 1.00 74.30 H new ATOM 0 HG2 LYS A 49 5.236 8.993 0.839 1.00 32.21 H new ATOM 0 HG3 LYS A 49 4.554 9.763 -0.580 1.00 32.21 H new ATOM 0 HD2 LYS A 49 2.693 10.680 0.725 1.00 55.21 H new ATOM 0 HD3 LYS A 49 3.161 9.755 2.138 1.00 55.21 H new ATOM 0 HE2 LYS A 49 5.446 11.009 1.990 1.00 22.42 H new ATOM 0 HE3 LYS A 49 4.651 12.088 0.861 1.00 22.42 H new ATOM 0 HZ1 LYS A 49 4.447 13.095 2.934 1.00 64.12 H new ATOM 0 HZ2 LYS A 49 2.920 12.402 2.665 1.00 64.12 H new ATOM 0 HZ3 LYS A 49 4.020 11.650 3.718 1.00 64.12 H new ATOM 836 N VAL A 50 3.749 4.624 -0.019 1.00 15.13 N ATOM 837 CA VAL A 50 2.979 3.372 -0.026 1.00 71.23 C ATOM 838 C VAL A 50 2.450 3.111 1.398 1.00 15.21 C ATOM 839 O VAL A 50 3.231 3.029 2.356 1.00 0.12 O ATOM 840 CB VAL A 50 3.853 2.153 -0.517 1.00 30.43 C ATOM 841 CG1 VAL A 50 3.057 0.822 -0.471 1.00 72.35 C ATOM 842 CG2 VAL A 50 4.405 2.411 -1.941 1.00 42.12 C ATOM 0 H VAL A 50 4.447 4.662 0.724 1.00 15.13 H new ATOM 0 HA VAL A 50 2.148 3.474 -0.724 1.00 71.23 H new ATOM 0 HB VAL A 50 4.695 2.057 0.169 1.00 30.43 H new ATOM 0 HG11 VAL A 50 3.692 0.006 -0.816 1.00 72.35 H new ATOM 0 HG12 VAL A 50 2.737 0.625 0.552 1.00 72.35 H new ATOM 0 HG13 VAL A 50 2.182 0.899 -1.116 1.00 72.35 H new ATOM 0 HG21 VAL A 50 5.004 1.558 -2.259 1.00 42.12 H new ATOM 0 HG22 VAL A 50 3.575 2.549 -2.634 1.00 42.12 H new ATOM 0 HG23 VAL A 50 5.025 3.307 -1.934 1.00 42.12 H new ATOM 852 N VAL A 51 1.118 3.010 1.518 1.00 44.02 N ATOM 853 CA VAL A 51 0.435 2.690 2.775 1.00 72.12 C ATOM 854 C VAL A 51 0.341 1.160 2.925 1.00 35.33 C ATOM 855 O VAL A 51 -0.385 0.510 2.178 1.00 14.04 O ATOM 856 CB VAL A 51 -1.012 3.308 2.815 1.00 53.21 C ATOM 857 CG1 VAL A 51 -1.748 2.918 4.109 1.00 3.15 C ATOM 858 CG2 VAL A 51 -0.974 4.836 2.655 1.00 20.54 C ATOM 0 H VAL A 51 0.480 3.150 0.735 1.00 44.02 H new ATOM 0 HA VAL A 51 1.010 3.118 3.596 1.00 72.12 H new ATOM 0 HB VAL A 51 -1.565 2.895 1.971 1.00 53.21 H new ATOM 0 HG11 VAL A 51 -2.745 3.359 4.108 1.00 3.15 H new ATOM 0 HG12 VAL A 51 -1.832 1.833 4.167 1.00 3.15 H new ATOM 0 HG13 VAL A 51 -1.189 3.285 4.970 1.00 3.15 H new ATOM 0 HG21 VAL A 51 -1.990 5.231 2.687 1.00 20.54 H new ATOM 0 HG22 VAL A 51 -0.389 5.272 3.465 1.00 20.54 H new ATOM 0 HG23 VAL A 51 -0.516 5.090 1.699 1.00 20.54 H new ATOM 868 N LEU A 52 1.088 0.593 3.877 1.00 12.20 N ATOM 869 CA LEU A 52 1.053 -0.847 4.173 1.00 51.34 C ATOM 870 C LEU A 52 0.116 -1.106 5.374 1.00 75.24 C ATOM 871 O LEU A 52 0.517 -0.982 6.534 1.00 14.05 O ATOM 872 CB LEU A 52 2.496 -1.357 4.447 1.00 42.30 C ATOM 873 CG LEU A 52 3.499 -1.258 3.242 1.00 13.45 C ATOM 874 CD1 LEU A 52 4.917 -1.679 3.644 1.00 22.24 C ATOM 875 CD2 LEU A 52 3.028 -2.089 2.041 1.00 23.13 C ATOM 0 H LEU A 52 1.735 1.117 4.466 1.00 12.20 H new ATOM 0 HA LEU A 52 0.660 -1.397 3.318 1.00 51.34 H new ATOM 0 HB2 LEU A 52 2.907 -0.793 5.284 1.00 42.30 H new ATOM 0 HB3 LEU A 52 2.439 -2.399 4.762 1.00 42.30 H new ATOM 0 HG LEU A 52 3.523 -0.209 2.948 1.00 13.45 H new ATOM 0 HD11 LEU A 52 5.579 -1.596 2.782 1.00 22.24 H new ATOM 0 HD12 LEU A 52 5.277 -1.030 4.442 1.00 22.24 H new ATOM 0 HD13 LEU A 52 4.905 -2.711 3.994 1.00 22.24 H new ATOM 0 HD21 LEU A 52 3.748 -1.995 1.228 1.00 23.13 H new ATOM 0 HD22 LEU A 52 2.945 -3.136 2.333 1.00 23.13 H new ATOM 0 HD23 LEU A 52 2.055 -1.728 1.708 1.00 23.13 H new ATOM 887 N VAL A 53 -1.152 -1.426 5.071 1.00 22.40 N ATOM 888 CA VAL A 53 -2.184 -1.724 6.079 1.00 34.40 C ATOM 889 C VAL A 53 -2.146 -3.221 6.433 1.00 32.04 C ATOM 890 O VAL A 53 -2.420 -4.071 5.573 1.00 55.43 O ATOM 891 CB VAL A 53 -3.639 -1.349 5.581 1.00 51.42 C ATOM 892 CG1 VAL A 53 -4.692 -1.550 6.706 1.00 32.12 C ATOM 893 CG2 VAL A 53 -3.703 0.090 5.020 1.00 75.44 C ATOM 0 H VAL A 53 -1.493 -1.486 4.112 1.00 22.40 H new ATOM 0 HA VAL A 53 -1.963 -1.115 6.956 1.00 34.40 H new ATOM 0 HB VAL A 53 -3.881 -2.031 4.765 1.00 51.42 H new ATOM 0 HG11 VAL A 53 -5.680 -1.284 6.331 1.00 32.12 H new ATOM 0 HG12 VAL A 53 -4.693 -2.593 7.022 1.00 32.12 H new ATOM 0 HG13 VAL A 53 -4.443 -0.914 7.556 1.00 32.12 H new ATOM 0 HG21 VAL A 53 -4.719 0.307 4.689 1.00 75.44 H new ATOM 0 HG22 VAL A 53 -3.416 0.797 5.798 1.00 75.44 H new ATOM 0 HG23 VAL A 53 -3.019 0.182 4.176 1.00 75.44 H new ATOM 903 N GLY A 54 -1.789 -3.517 7.697 1.00 62.33 N ATOM 904 CA GLY A 54 -1.855 -4.870 8.257 1.00 32.13 C ATOM 905 C GLY A 54 -0.981 -5.892 7.544 1.00 71.14 C ATOM 906 O GLY A 54 -1.448 -6.990 7.224 1.00 53.54 O ATOM 0 H GLY A 54 -1.446 -2.818 8.357 1.00 62.33 H new ATOM 0 HA2 GLY A 54 -1.563 -4.830 9.306 1.00 32.13 H new ATOM 0 HA3 GLY A 54 -2.890 -5.212 8.227 1.00 32.13 H new ATOM 910 N VAL A 55 0.293 -5.538 7.296 1.00 64.35 N ATOM 911 CA VAL A 55 1.265 -6.438 6.624 1.00 4.05 C ATOM 912 C VAL A 55 2.299 -6.958 7.636 1.00 20.45 C ATOM 913 O VAL A 55 2.439 -6.407 8.734 1.00 71.24 O ATOM 914 CB VAL A 55 2.010 -5.727 5.423 1.00 71.44 C ATOM 915 CG1 VAL A 55 0.999 -5.139 4.406 1.00 4.50 C ATOM 916 CG2 VAL A 55 3.012 -4.652 5.924 1.00 31.43 C ATOM 0 H VAL A 55 0.681 -4.630 7.551 1.00 64.35 H new ATOM 0 HA VAL A 55 0.696 -7.273 6.215 1.00 4.05 H new ATOM 0 HB VAL A 55 2.593 -6.487 4.903 1.00 71.44 H new ATOM 0 HG11 VAL A 55 1.540 -4.657 3.592 1.00 4.50 H new ATOM 0 HG12 VAL A 55 0.379 -5.940 4.005 1.00 4.50 H new ATOM 0 HG13 VAL A 55 0.366 -4.406 4.905 1.00 4.50 H new ATOM 0 HG21 VAL A 55 3.503 -4.186 5.070 1.00 31.43 H new ATOM 0 HG22 VAL A 55 2.476 -3.892 6.493 1.00 31.43 H new ATOM 0 HG23 VAL A 55 3.761 -5.122 6.562 1.00 31.43 H new ATOM 926 N SER A 56 3.017 -8.025 7.259 1.00 32.42 N ATOM 927 CA SER A 56 4.170 -8.533 8.015 1.00 63.23 C ATOM 928 C SER A 56 5.385 -7.632 7.754 1.00 23.34 C ATOM 929 O SER A 56 5.524 -7.108 6.641 1.00 34.34 O ATOM 930 CB SER A 56 4.477 -9.991 7.593 1.00 42.31 C ATOM 931 OG SER A 56 3.344 -10.819 7.776 1.00 52.54 O ATOM 0 H SER A 56 2.813 -8.563 6.417 1.00 32.42 H new ATOM 0 HA SER A 56 3.942 -8.523 9.081 1.00 63.23 H new ATOM 0 HB2 SER A 56 4.784 -10.014 6.547 1.00 42.31 H new ATOM 0 HB3 SER A 56 5.312 -10.375 8.179 1.00 42.31 H new ATOM 0 HG SER A 56 3.560 -11.735 7.502 1.00 52.54 H new ATOM 937 N GLU A 57 6.263 -7.462 8.765 1.00 11.10 N ATOM 938 CA GLU A 57 7.511 -6.669 8.618 1.00 42.01 C ATOM 939 C GLU A 57 8.513 -7.361 7.657 1.00 31.53 C ATOM 940 O GLU A 57 9.436 -6.720 7.150 1.00 11.34 O ATOM 941 CB GLU A 57 8.144 -6.318 10.010 1.00 23.31 C ATOM 942 CG GLU A 57 8.136 -7.429 11.091 1.00 73.30 C ATOM 943 CD GLU A 57 8.905 -8.703 10.714 1.00 41.40 C ATOM 944 OE1 GLU A 57 10.152 -8.673 10.691 1.00 3.20 O ATOM 945 OE2 GLU A 57 8.260 -9.734 10.425 1.00 42.10 O ATOM 0 H GLU A 57 6.134 -7.862 9.694 1.00 11.10 H new ATOM 0 HA GLU A 57 7.247 -5.717 8.156 1.00 42.01 H new ATOM 0 HB2 GLU A 57 9.178 -6.015 9.844 1.00 23.31 H new ATOM 0 HB3 GLU A 57 7.618 -5.452 10.412 1.00 23.31 H new ATOM 0 HG2 GLU A 57 8.560 -7.025 12.010 1.00 73.30 H new ATOM 0 HG3 GLU A 57 7.102 -7.697 11.308 1.00 73.30 H new ATOM 952 N LYS A 58 8.285 -8.675 7.426 1.00 74.30 N ATOM 953 CA LYS A 58 8.959 -9.480 6.382 1.00 61.23 C ATOM 954 C LYS A 58 8.790 -8.824 4.998 1.00 20.41 C ATOM 955 O LYS A 58 9.735 -8.723 4.218 1.00 14.02 O ATOM 956 CB LYS A 58 8.351 -10.913 6.367 1.00 21.14 C ATOM 957 CG LYS A 58 8.441 -11.660 7.721 1.00 15.10 C ATOM 958 CD LYS A 58 7.676 -13.001 7.730 1.00 60.33 C ATOM 959 CE LYS A 58 8.187 -13.997 6.672 1.00 32.25 C ATOM 960 NZ LYS A 58 9.614 -14.350 6.866 1.00 23.22 N ATOM 0 H LYS A 58 7.614 -9.215 7.972 1.00 74.30 H new ATOM 0 HA LYS A 58 10.024 -9.534 6.608 1.00 61.23 H new ATOM 0 HB2 LYS A 58 7.304 -10.847 6.071 1.00 21.14 H new ATOM 0 HB3 LYS A 58 8.861 -11.503 5.606 1.00 21.14 H new ATOM 0 HG2 LYS A 58 9.489 -11.846 7.957 1.00 15.10 H new ATOM 0 HG3 LYS A 58 8.046 -11.019 8.509 1.00 15.10 H new ATOM 0 HD2 LYS A 58 7.761 -13.454 8.718 1.00 60.33 H new ATOM 0 HD3 LYS A 58 6.617 -12.809 7.558 1.00 60.33 H new ATOM 0 HE2 LYS A 58 7.583 -14.904 6.710 1.00 32.25 H new ATOM 0 HE3 LYS A 58 8.054 -13.567 5.679 1.00 32.25 H new ATOM 0 HZ1 LYS A 58 9.895 -15.060 6.160 1.00 23.22 H new ATOM 0 HZ2 LYS A 58 10.201 -13.499 6.753 1.00 23.22 H new ATOM 0 HZ3 LYS A 58 9.749 -14.739 7.821 1.00 23.22 H new ATOM 974 N LEU A 59 7.554 -8.374 4.718 1.00 62.41 N ATOM 975 CA LEU A 59 7.219 -7.667 3.479 1.00 0.42 C ATOM 976 C LEU A 59 7.505 -6.162 3.619 1.00 54.44 C ATOM 977 O LEU A 59 8.005 -5.564 2.695 1.00 12.12 O ATOM 978 CB LEU A 59 5.731 -7.912 3.085 1.00 10.10 C ATOM 979 CG LEU A 59 5.345 -9.387 2.732 1.00 2.33 C ATOM 980 CD1 LEU A 59 3.846 -9.499 2.389 1.00 3.04 C ATOM 981 CD2 LEU A 59 6.230 -9.942 1.582 1.00 12.34 C ATOM 0 H LEU A 59 6.761 -8.493 5.349 1.00 62.41 H new ATOM 0 HA LEU A 59 7.849 -8.062 2.682 1.00 0.42 H new ATOM 0 HB2 LEU A 59 5.099 -7.580 3.909 1.00 10.10 H new ATOM 0 HB3 LEU A 59 5.495 -7.281 2.228 1.00 10.10 H new ATOM 0 HG LEU A 59 5.532 -10.000 3.614 1.00 2.33 H new ATOM 0 HD11 LEU A 59 3.604 -10.534 2.148 1.00 3.04 H new ATOM 0 HD12 LEU A 59 3.252 -9.178 3.245 1.00 3.04 H new ATOM 0 HD13 LEU A 59 3.620 -8.864 1.532 1.00 3.04 H new ATOM 0 HD21 LEU A 59 5.937 -10.968 1.360 1.00 12.34 H new ATOM 0 HD22 LEU A 59 6.098 -9.327 0.692 1.00 12.34 H new ATOM 0 HD23 LEU A 59 7.277 -9.921 1.886 1.00 12.34 H new ATOM 993 N LEU A 60 7.222 -5.584 4.802 1.00 11.44 N ATOM 994 CA LEU A 60 7.267 -4.115 5.026 1.00 32.32 C ATOM 995 C LEU A 60 8.652 -3.519 4.726 1.00 73.52 C ATOM 996 O LEU A 60 8.774 -2.588 3.923 1.00 1.31 O ATOM 997 CB LEU A 60 6.822 -3.799 6.482 1.00 33.52 C ATOM 998 CG LEU A 60 6.721 -2.276 6.894 1.00 52.14 C ATOM 999 CD1 LEU A 60 5.559 -2.043 7.868 1.00 50.55 C ATOM 1000 CD2 LEU A 60 8.045 -1.727 7.502 1.00 64.12 C ATOM 0 H LEU A 60 6.956 -6.115 5.631 1.00 11.44 H new ATOM 0 HA LEU A 60 6.575 -3.645 4.327 1.00 32.32 H new ATOM 0 HB2 LEU A 60 5.847 -4.258 6.644 1.00 33.52 H new ATOM 0 HB3 LEU A 60 7.521 -4.287 7.162 1.00 33.52 H new ATOM 0 HG LEU A 60 6.532 -1.724 5.973 1.00 52.14 H new ATOM 0 HD11 LEU A 60 5.514 -0.987 8.134 1.00 50.55 H new ATOM 0 HD12 LEU A 60 4.623 -2.339 7.395 1.00 50.55 H new ATOM 0 HD13 LEU A 60 5.714 -2.638 8.768 1.00 50.55 H new ATOM 0 HD21 LEU A 60 7.916 -0.677 7.766 1.00 64.12 H new ATOM 0 HD22 LEU A 60 8.299 -2.297 8.395 1.00 64.12 H new ATOM 0 HD23 LEU A 60 8.848 -1.821 6.771 1.00 64.12 H new ATOM 1012 N GLN A 61 9.677 -4.084 5.388 1.00 73.42 N ATOM 1013 CA GLN A 61 11.081 -3.661 5.232 1.00 14.32 C ATOM 1014 C GLN A 61 11.581 -3.898 3.795 1.00 51.42 C ATOM 1015 O GLN A 61 12.476 -3.196 3.318 1.00 4.15 O ATOM 1016 CB GLN A 61 11.970 -4.429 6.241 1.00 5.41 C ATOM 1017 CG GLN A 61 11.586 -4.220 7.724 1.00 34.13 C ATOM 1018 CD GLN A 61 11.752 -2.771 8.205 1.00 4.34 C ATOM 1019 OE1 GLN A 61 12.618 -2.036 7.731 1.00 44.33 O ATOM 1020 NE2 GLN A 61 10.933 -2.355 9.152 1.00 51.15 N ATOM 0 H GLN A 61 9.555 -4.851 6.050 1.00 73.42 H new ATOM 0 HA GLN A 61 11.142 -2.591 5.433 1.00 14.32 H new ATOM 0 HB2 GLN A 61 11.920 -5.494 6.013 1.00 5.41 H new ATOM 0 HB3 GLN A 61 13.006 -4.121 6.100 1.00 5.41 H new ATOM 0 HG2 GLN A 61 10.550 -4.525 7.869 1.00 34.13 H new ATOM 0 HG3 GLN A 61 12.200 -4.872 8.345 1.00 34.13 H new ATOM 0 HE21 GLN A 61 10.224 -2.986 9.527 1.00 51.15 H new ATOM 0 HE22 GLN A 61 11.008 -1.403 9.509 1.00 51.15 H new ATOM 1029 N LYS A 62 10.977 -4.892 3.119 1.00 13.22 N ATOM 1030 CA LYS A 62 11.339 -5.271 1.752 1.00 13.23 C ATOM 1031 C LYS A 62 10.764 -4.272 0.732 1.00 13.13 C ATOM 1032 O LYS A 62 11.490 -3.813 -0.129 1.00 12.51 O ATOM 1033 CB LYS A 62 10.886 -6.721 1.458 1.00 30.15 C ATOM 1034 CG LYS A 62 11.272 -7.239 0.048 1.00 41.11 C ATOM 1035 CD LYS A 62 11.257 -8.778 -0.058 1.00 12.45 C ATOM 1036 CE LYS A 62 9.882 -9.399 0.225 1.00 10.34 C ATOM 1037 NZ LYS A 62 9.931 -10.882 0.125 1.00 61.42 N ATOM 0 H LYS A 62 10.222 -5.454 3.512 1.00 13.22 H new ATOM 0 HA LYS A 62 12.424 -5.236 1.656 1.00 13.23 H new ATOM 0 HB2 LYS A 62 11.321 -7.383 2.207 1.00 30.15 H new ATOM 0 HB3 LYS A 62 9.803 -6.780 1.570 1.00 30.15 H new ATOM 0 HG2 LYS A 62 10.582 -6.824 -0.686 1.00 41.11 H new ATOM 0 HG3 LYS A 62 12.267 -6.873 -0.207 1.00 41.11 H new ATOM 0 HD2 LYS A 62 11.579 -9.068 -1.058 1.00 12.45 H new ATOM 0 HD3 LYS A 62 11.984 -9.189 0.643 1.00 12.45 H new ATOM 0 HE2 LYS A 62 9.548 -9.110 1.221 1.00 10.34 H new ATOM 0 HE3 LYS A 62 9.151 -9.008 -0.483 1.00 10.34 H new ATOM 0 HZ1 LYS A 62 8.988 -11.275 0.321 1.00 61.42 H new ATOM 0 HZ2 LYS A 62 10.228 -11.156 -0.834 1.00 61.42 H new ATOM 0 HZ3 LYS A 62 10.612 -11.254 0.817 1.00 61.42 H new ATOM 1051 N ILE A 63 9.469 -3.917 0.858 1.00 21.55 N ATOM 1052 CA ILE A 63 8.828 -2.874 0.018 1.00 51.13 C ATOM 1053 C ILE A 63 9.604 -1.538 0.191 1.00 75.45 C ATOM 1054 O ILE A 63 9.893 -0.847 -0.792 1.00 35.10 O ATOM 1055 CB ILE A 63 7.267 -2.710 0.352 1.00 41.43 C ATOM 1056 CG1 ILE A 63 6.382 -3.788 -0.389 1.00 14.24 C ATOM 1057 CG2 ILE A 63 6.731 -1.291 0.026 1.00 2.23 C ATOM 1058 CD1 ILE A 63 6.627 -5.240 -0.015 1.00 31.43 C ATOM 0 H ILE A 63 8.838 -4.340 1.539 1.00 21.55 H new ATOM 0 HA ILE A 63 8.877 -3.180 -1.027 1.00 51.13 H new ATOM 0 HB ILE A 63 7.186 -2.867 1.428 1.00 41.43 H new ATOM 0 HG12 ILE A 63 5.334 -3.559 -0.198 1.00 14.24 H new ATOM 0 HG13 ILE A 63 6.541 -3.681 -1.462 1.00 14.24 H new ATOM 0 HG21 ILE A 63 5.670 -1.237 0.272 1.00 2.23 H new ATOM 0 HG22 ILE A 63 7.277 -0.552 0.613 1.00 2.23 H new ATOM 0 HG23 ILE A 63 6.868 -1.085 -1.036 1.00 2.23 H new ATOM 0 HD11 ILE A 63 5.960 -5.882 -0.590 1.00 31.43 H new ATOM 0 HD12 ILE A 63 7.662 -5.503 -0.235 1.00 31.43 H new ATOM 0 HD13 ILE A 63 6.436 -5.379 1.049 1.00 31.43 H new ATOM 1070 N LYS A 64 10.006 -1.257 1.449 1.00 33.43 N ATOM 1071 CA LYS A 64 10.794 -0.068 1.820 1.00 25.40 C ATOM 1072 C LYS A 64 12.103 -0.012 0.993 1.00 13.30 C ATOM 1073 O LYS A 64 12.357 0.973 0.301 1.00 53.13 O ATOM 1074 CB LYS A 64 11.078 -0.103 3.365 1.00 44.25 C ATOM 1075 CG LYS A 64 11.616 1.215 3.998 1.00 70.10 C ATOM 1076 CD LYS A 64 13.134 1.457 3.787 1.00 23.30 C ATOM 1077 CE LYS A 64 13.605 2.804 4.365 1.00 34.54 C ATOM 1078 NZ LYS A 64 13.432 2.882 5.838 1.00 73.11 N ATOM 0 H LYS A 64 9.788 -1.859 2.243 1.00 33.43 H new ATOM 0 HA LYS A 64 10.233 0.839 1.594 1.00 25.40 H new ATOM 0 HB2 LYS A 64 10.155 -0.376 3.876 1.00 44.25 H new ATOM 0 HB3 LYS A 64 11.799 -0.896 3.562 1.00 44.25 H new ATOM 0 HG2 LYS A 64 11.065 2.056 3.578 1.00 70.10 H new ATOM 0 HG3 LYS A 64 11.408 1.200 5.068 1.00 70.10 H new ATOM 0 HD2 LYS A 64 13.696 0.649 4.255 1.00 23.30 H new ATOM 0 HD3 LYS A 64 13.358 1.425 2.721 1.00 23.30 H new ATOM 0 HE2 LYS A 64 14.656 2.955 4.117 1.00 34.54 H new ATOM 0 HE3 LYS A 64 13.047 3.613 3.893 1.00 34.54 H new ATOM 0 HZ1 LYS A 64 13.825 3.779 6.187 1.00 73.11 H new ATOM 0 HZ2 LYS A 64 12.420 2.834 6.072 1.00 73.11 H new ATOM 0 HZ3 LYS A 64 13.930 2.088 6.289 1.00 73.11 H new ATOM 1092 N GLN A 65 12.893 -1.102 1.050 1.00 74.22 N ATOM 1093 CA GLN A 65 14.226 -1.173 0.407 1.00 34.22 C ATOM 1094 C GLN A 65 14.124 -1.296 -1.123 1.00 2.03 C ATOM 1095 O GLN A 65 14.598 -0.418 -1.847 1.00 20.20 O ATOM 1096 CB GLN A 65 15.047 -2.355 1.002 1.00 14.02 C ATOM 1097 CG GLN A 65 15.429 -2.153 2.480 1.00 2.50 C ATOM 1098 CD GLN A 65 16.151 -3.348 3.109 1.00 73.52 C ATOM 1099 OE1 GLN A 65 16.858 -4.104 2.439 1.00 50.52 O ATOM 1100 NE2 GLN A 65 15.992 -3.519 4.410 1.00 24.14 N ATOM 0 H GLN A 65 12.629 -1.957 1.540 1.00 74.22 H new ATOM 0 HA GLN A 65 14.745 -0.238 0.618 1.00 34.22 H new ATOM 0 HB2 GLN A 65 14.468 -3.274 0.907 1.00 14.02 H new ATOM 0 HB3 GLN A 65 15.956 -2.488 0.415 1.00 14.02 H new ATOM 0 HG2 GLN A 65 16.067 -1.273 2.562 1.00 2.50 H new ATOM 0 HG3 GLN A 65 14.525 -1.946 3.053 1.00 2.50 H new ATOM 0 HE21 GLN A 65 15.401 -2.878 4.940 1.00 24.14 H new ATOM 0 HE22 GLN A 65 16.460 -4.292 4.884 1.00 24.14 H new ATOM 1109 N GLU A 66 13.474 -2.375 -1.592 1.00 54.30 N ATOM 1110 CA GLU A 66 13.402 -2.737 -3.022 1.00 53.01 C ATOM 1111 C GLU A 66 12.742 -1.631 -3.861 1.00 24.21 C ATOM 1112 O GLU A 66 13.271 -1.234 -4.910 1.00 30.41 O ATOM 1113 CB GLU A 66 12.634 -4.082 -3.217 1.00 3.41 C ATOM 1114 CG GLU A 66 13.131 -5.260 -2.350 1.00 50.34 C ATOM 1115 CD GLU A 66 14.626 -5.569 -2.488 1.00 74.13 C ATOM 1116 OE1 GLU A 66 14.999 -6.339 -3.394 1.00 61.44 O ATOM 1117 OE2 GLU A 66 15.438 -5.044 -1.693 1.00 22.30 O ATOM 0 H GLU A 66 12.978 -3.028 -0.985 1.00 54.30 H new ATOM 0 HA GLU A 66 14.427 -2.858 -3.372 1.00 53.01 H new ATOM 0 HB2 GLU A 66 11.579 -3.913 -3.000 1.00 3.41 H new ATOM 0 HB3 GLU A 66 12.702 -4.371 -4.266 1.00 3.41 H new ATOM 0 HG2 GLU A 66 12.914 -5.041 -1.305 1.00 50.34 H new ATOM 0 HG3 GLU A 66 12.563 -6.152 -2.613 1.00 50.34 H new ATOM 1124 N ALA A 67 11.592 -1.119 -3.379 1.00 21.33 N ATOM 1125 CA ALA A 67 10.807 -0.113 -4.112 1.00 54.44 C ATOM 1126 C ALA A 67 11.312 1.315 -3.834 1.00 45.43 C ATOM 1127 O ALA A 67 11.028 2.231 -4.619 1.00 34.45 O ATOM 1128 CB ALA A 67 9.322 -0.259 -3.761 1.00 43.55 C ATOM 0 H ALA A 67 11.188 -1.389 -2.482 1.00 21.33 H new ATOM 0 HA ALA A 67 10.933 -0.288 -5.180 1.00 54.44 H new ATOM 0 HB1 ALA A 67 8.744 0.488 -4.306 1.00 43.55 H new ATOM 0 HB2 ALA A 67 8.979 -1.256 -4.038 1.00 43.55 H new ATOM 0 HB3 ALA A 67 9.185 -0.113 -2.690 1.00 43.55 H new ATOM 1134 N ASN A 68 12.061 1.479 -2.719 1.00 40.52 N ATOM 1135 CA ASN A 68 12.627 2.776 -2.273 1.00 54.52 C ATOM 1136 C ASN A 68 11.500 3.809 -2.090 1.00 71.10 C ATOM 1137 O ASN A 68 11.350 4.748 -2.872 1.00 32.55 O ATOM 1138 CB ASN A 68 13.769 3.276 -3.221 1.00 23.53 C ATOM 1139 CG ASN A 68 14.420 4.602 -2.775 1.00 64.23 C ATOM 1140 OD1 ASN A 68 14.024 5.690 -3.203 1.00 45.41 O ATOM 1141 ND2 ASN A 68 15.413 4.526 -1.905 1.00 21.40 N ATOM 0 H ASN A 68 12.293 0.706 -2.095 1.00 40.52 H new ATOM 0 HA ASN A 68 13.101 2.633 -1.302 1.00 54.52 H new ATOM 0 HB2 ASN A 68 14.539 2.507 -3.282 1.00 23.53 H new ATOM 0 HB3 ASN A 68 13.364 3.402 -4.225 1.00 23.53 H new ATOM 0 HD21 ASN A 68 15.868 5.377 -1.574 1.00 21.40 H new ATOM 0 HD22 ASN A 68 15.724 3.616 -1.564 1.00 21.40 H new ATOM 1148 N VAL A 69 10.646 3.554 -1.087 1.00 2.23 N ATOM 1149 CA VAL A 69 9.423 4.345 -0.825 1.00 54.33 C ATOM 1150 C VAL A 69 9.279 4.675 0.660 1.00 43.34 C ATOM 1151 O VAL A 69 9.821 3.974 1.533 1.00 62.32 O ATOM 1152 CB VAL A 69 8.126 3.589 -1.305 1.00 22.12 C ATOM 1153 CG1 VAL A 69 8.060 3.513 -2.840 1.00 52.31 C ATOM 1154 CG2 VAL A 69 8.036 2.173 -0.671 1.00 12.22 C ATOM 0 H VAL A 69 10.781 2.788 -0.427 1.00 2.23 H new ATOM 0 HA VAL A 69 9.528 5.269 -1.393 1.00 54.33 H new ATOM 0 HB VAL A 69 7.264 4.163 -0.964 1.00 22.12 H new ATOM 0 HG11 VAL A 69 7.154 2.986 -3.140 1.00 52.31 H new ATOM 0 HG12 VAL A 69 8.047 4.521 -3.254 1.00 52.31 H new ATOM 0 HG13 VAL A 69 8.932 2.978 -3.216 1.00 52.31 H new ATOM 0 HG21 VAL A 69 7.131 1.675 -1.020 1.00 12.22 H new ATOM 0 HG22 VAL A 69 8.908 1.588 -0.963 1.00 12.22 H new ATOM 0 HG23 VAL A 69 8.005 2.262 0.415 1.00 12.22 H new ATOM 1164 N GLN A 70 8.536 5.760 0.921 1.00 0.11 N ATOM 1165 CA GLN A 70 8.117 6.167 2.259 1.00 22.45 C ATOM 1166 C GLN A 70 6.917 5.302 2.668 1.00 21.13 C ATOM 1167 O GLN A 70 5.835 5.392 2.073 1.00 2.14 O ATOM 1168 CB GLN A 70 7.775 7.692 2.289 1.00 42.00 C ATOM 1169 CG GLN A 70 9.018 8.619 2.344 1.00 70.24 C ATOM 1170 CD GLN A 70 9.987 8.502 1.152 1.00 0.31 C ATOM 1171 OE1 GLN A 70 11.203 8.660 1.311 1.00 62.22 O ATOM 1172 NE2 GLN A 70 9.473 8.308 -0.056 1.00 63.45 N ATOM 0 H GLN A 70 8.206 6.389 0.189 1.00 0.11 H new ATOM 0 HA GLN A 70 8.926 6.016 2.974 1.00 22.45 H new ATOM 0 HB2 GLN A 70 7.189 7.940 1.404 1.00 42.00 H new ATOM 0 HB3 GLN A 70 7.145 7.895 3.155 1.00 42.00 H new ATOM 0 HG2 GLN A 70 8.676 9.652 2.412 1.00 70.24 H new ATOM 0 HG3 GLN A 70 9.569 8.405 3.260 1.00 70.24 H new ATOM 0 HE21 GLN A 70 8.467 8.180 -0.168 1.00 63.45 H new ATOM 0 HE22 GLN A 70 10.084 8.287 -0.873 1.00 63.45 H new ATOM 1181 N VAL A 71 7.141 4.474 3.692 1.00 64.14 N ATOM 1182 CA VAL A 71 6.187 3.474 4.171 1.00 12.01 C ATOM 1183 C VAL A 71 5.366 4.063 5.321 1.00 73.31 C ATOM 1184 O VAL A 71 5.921 4.668 6.247 1.00 5.02 O ATOM 1185 CB VAL A 71 6.948 2.181 4.659 1.00 12.34 C ATOM 1186 CG1 VAL A 71 6.020 1.216 5.443 1.00 0.22 C ATOM 1187 CG2 VAL A 71 7.612 1.466 3.453 1.00 25.24 C ATOM 0 H VAL A 71 8.012 4.482 4.223 1.00 64.14 H new ATOM 0 HA VAL A 71 5.520 3.197 3.354 1.00 12.01 H new ATOM 0 HB VAL A 71 7.727 2.495 5.353 1.00 12.34 H new ATOM 0 HG11 VAL A 71 6.588 0.341 5.758 1.00 0.22 H new ATOM 0 HG12 VAL A 71 5.623 1.726 6.320 1.00 0.22 H new ATOM 0 HG13 VAL A 71 5.196 0.902 4.802 1.00 0.22 H new ATOM 0 HG21 VAL A 71 8.135 0.575 3.801 1.00 25.24 H new ATOM 0 HG22 VAL A 71 6.846 1.179 2.733 1.00 25.24 H new ATOM 0 HG23 VAL A 71 8.323 2.141 2.976 1.00 25.24 H new ATOM 1197 N TYR A 72 4.040 3.910 5.228 1.00 32.31 N ATOM 1198 CA TYR A 72 3.105 4.266 6.297 1.00 63.54 C ATOM 1199 C TYR A 72 2.316 3.013 6.670 1.00 12.53 C ATOM 1200 O TYR A 72 1.396 2.609 5.950 1.00 20.20 O ATOM 1201 CB TYR A 72 2.167 5.401 5.821 1.00 32.41 C ATOM 1202 CG TYR A 72 2.899 6.727 5.549 1.00 30.32 C ATOM 1203 CD1 TYR A 72 3.524 6.977 4.320 1.00 54.43 C ATOM 1204 CD2 TYR A 72 2.973 7.724 6.528 1.00 71.13 C ATOM 1205 CE1 TYR A 72 4.183 8.166 4.084 1.00 63.13 C ATOM 1206 CE2 TYR A 72 3.629 8.917 6.288 1.00 53.41 C ATOM 1207 CZ TYR A 72 4.235 9.130 5.066 1.00 22.34 C ATOM 1208 OH TYR A 72 4.885 10.322 4.822 1.00 34.34 O ATOM 0 H TYR A 72 3.583 3.531 4.399 1.00 32.31 H new ATOM 0 HA TYR A 72 3.640 4.631 7.174 1.00 63.54 H new ATOM 0 HB2 TYR A 72 1.657 5.083 4.912 1.00 32.41 H new ATOM 0 HB3 TYR A 72 1.398 5.567 6.576 1.00 32.41 H new ATOM 0 HD1 TYR A 72 3.489 6.226 3.544 1.00 54.43 H new ATOM 0 HD2 TYR A 72 2.509 7.558 7.489 1.00 71.13 H new ATOM 0 HE1 TYR A 72 4.658 8.341 3.130 1.00 63.13 H new ATOM 0 HE2 TYR A 72 3.667 9.679 7.053 1.00 53.41 H new ATOM 0 HH TYR A 72 4.829 10.894 5.616 1.00 34.34 H new ATOM 1218 N ARG A 73 2.714 2.379 7.783 1.00 63.02 N ATOM 1219 CA ARG A 73 2.031 1.198 8.304 1.00 2.42 C ATOM 1220 C ARG A 73 0.826 1.653 9.123 1.00 72.42 C ATOM 1221 O ARG A 73 0.981 2.229 10.208 1.00 62.22 O ATOM 1222 CB ARG A 73 2.962 0.321 9.163 1.00 12.32 C ATOM 1223 CG ARG A 73 2.284 -0.981 9.642 1.00 3.25 C ATOM 1224 CD ARG A 73 3.146 -1.814 10.588 1.00 62.13 C ATOM 1225 NE ARG A 73 2.481 -3.079 10.951 1.00 3.50 N ATOM 1226 CZ ARG A 73 3.072 -4.277 11.003 1.00 31.10 C ATOM 1227 NH1 ARG A 73 4.364 -4.429 10.728 1.00 11.55 N ATOM 1228 NH2 ARG A 73 2.365 -5.327 11.350 1.00 60.25 N ATOM 0 H ARG A 73 3.515 2.673 8.341 1.00 63.02 H new ATOM 0 HA ARG A 73 1.709 0.585 7.463 1.00 2.42 H new ATOM 0 HB2 ARG A 73 3.852 0.071 8.586 1.00 12.32 H new ATOM 0 HB3 ARG A 73 3.294 0.892 10.030 1.00 12.32 H new ATOM 0 HG2 ARG A 73 1.350 -0.729 10.144 1.00 3.25 H new ATOM 0 HG3 ARG A 73 2.026 -1.586 8.773 1.00 3.25 H new ATOM 0 HD2 ARG A 73 4.105 -2.028 10.115 1.00 62.13 H new ATOM 0 HD3 ARG A 73 3.357 -1.240 11.491 1.00 62.13 H new ATOM 0 HE ARG A 73 1.488 -3.037 11.181 1.00 3.50 H new ATOM 0 HH11 ARG A 73 4.929 -3.620 10.470 1.00 11.55 H new ATOM 0 HH12 ARG A 73 4.790 -5.355 10.775 1.00 11.55 H new ATOM 0 HH21 ARG A 73 1.376 -5.224 11.576 1.00 60.25 H new ATOM 0 HH22 ARG A 73 2.805 -6.246 11.393 1.00 60.25 H new ATOM 1242 N VAL A 74 -0.365 1.410 8.591 1.00 12.11 N ATOM 1243 CA VAL A 74 -1.621 1.914 9.145 1.00 42.45 C ATOM 1244 C VAL A 74 -2.386 0.799 9.879 1.00 5.22 C ATOM 1245 O VAL A 74 -2.530 -0.317 9.365 1.00 54.23 O ATOM 1246 CB VAL A 74 -2.474 2.551 7.997 1.00 53.33 C ATOM 1247 CG1 VAL A 74 -3.930 2.800 8.422 1.00 53.41 C ATOM 1248 CG2 VAL A 74 -1.803 3.864 7.501 1.00 13.24 C ATOM 0 H VAL A 74 -0.490 0.848 7.749 1.00 12.11 H new ATOM 0 HA VAL A 74 -1.408 2.686 9.885 1.00 42.45 H new ATOM 0 HB VAL A 74 -2.508 1.837 7.174 1.00 53.33 H new ATOM 0 HG11 VAL A 74 -4.481 3.243 7.592 1.00 53.41 H new ATOM 0 HG12 VAL A 74 -4.394 1.854 8.702 1.00 53.41 H new ATOM 0 HG13 VAL A 74 -3.949 3.480 9.274 1.00 53.41 H new ATOM 0 HG21 VAL A 74 -2.403 4.300 6.702 1.00 13.24 H new ATOM 0 HG22 VAL A 74 -1.731 4.570 8.328 1.00 13.24 H new ATOM 0 HG23 VAL A 74 -0.804 3.643 7.125 1.00 13.24 H new ATOM 1258 N THR A 75 -2.845 1.126 11.099 1.00 41.33 N ATOM 1259 CA THR A 75 -3.679 0.258 11.949 1.00 41.42 C ATOM 1260 C THR A 75 -5.086 0.876 12.163 1.00 54.12 C ATOM 1261 O THR A 75 -5.971 0.234 12.739 1.00 35.22 O ATOM 1262 CB THR A 75 -2.978 0.039 13.333 1.00 4.23 C ATOM 1263 OG1 THR A 75 -2.621 1.316 13.892 1.00 60.42 O ATOM 1264 CG2 THR A 75 -1.713 -0.834 13.222 1.00 21.22 C ATOM 0 H THR A 75 -2.641 2.026 11.533 1.00 41.33 H new ATOM 0 HA THR A 75 -3.800 -0.701 11.446 1.00 41.42 H new ATOM 0 HB THR A 75 -3.684 -0.485 13.977 1.00 4.23 H new ATOM 0 HG1 THR A 75 -2.184 1.183 14.759 1.00 60.42 H new ATOM 0 HG21 THR A 75 -1.266 -0.954 14.209 1.00 21.22 H new ATOM 0 HG22 THR A 75 -1.980 -1.812 12.823 1.00 21.22 H new ATOM 0 HG23 THR A 75 -0.997 -0.354 12.556 1.00 21.22 H new ATOM 1272 N SER A 76 -5.286 2.125 11.699 1.00 54.34 N ATOM 1273 CA SER A 76 -6.539 2.883 11.920 1.00 32.31 C ATOM 1274 C SER A 76 -6.873 3.741 10.692 1.00 43.42 C ATOM 1275 O SER A 76 -5.968 4.335 10.094 1.00 43.50 O ATOM 1276 CB SER A 76 -6.389 3.784 13.176 1.00 34.11 C ATOM 1277 OG SER A 76 -6.109 3.016 14.337 1.00 50.44 O ATOM 0 H SER A 76 -4.587 2.638 11.162 1.00 54.34 H new ATOM 0 HA SER A 76 -7.355 2.177 12.078 1.00 32.31 H new ATOM 0 HB2 SER A 76 -5.588 4.506 13.014 1.00 34.11 H new ATOM 0 HB3 SER A 76 -7.306 4.354 13.328 1.00 34.11 H new ATOM 0 HG SER A 76 -6.019 3.612 15.110 1.00 50.44 H new ATOM 1283 N ASN A 77 -8.187 3.838 10.363 1.00 74.24 N ATOM 1284 CA ASN A 77 -8.706 4.618 9.206 1.00 63.35 C ATOM 1285 C ASN A 77 -8.216 6.075 9.236 1.00 11.41 C ATOM 1286 O ASN A 77 -8.059 6.686 8.187 1.00 60.22 O ATOM 1287 CB ASN A 77 -10.263 4.591 9.165 1.00 2.23 C ATOM 1288 CG ASN A 77 -10.841 3.190 8.923 1.00 22.30 C ATOM 1289 OD1 ASN A 77 -10.243 2.368 8.228 1.00 33.43 O ATOM 1290 ND2 ASN A 77 -12.001 2.905 9.490 1.00 2.40 N ATOM 0 H ASN A 77 -8.922 3.374 10.896 1.00 74.24 H new ATOM 0 HA ASN A 77 -8.318 4.143 8.305 1.00 63.35 H new ATOM 0 HB2 ASN A 77 -10.651 4.978 10.107 1.00 2.23 H new ATOM 0 HB3 ASN A 77 -10.610 5.260 8.378 1.00 2.23 H new ATOM 0 HD21 ASN A 77 -12.422 1.985 9.356 1.00 2.40 H new ATOM 0 HD22 ASN A 77 -12.475 3.605 10.061 1.00 2.40 H new ATOM 1297 N ASP A 78 -7.977 6.591 10.466 1.00 3.35 N ATOM 1298 CA ASP A 78 -7.427 7.941 10.720 1.00 52.15 C ATOM 1299 C ASP A 78 -6.144 8.152 9.901 1.00 74.22 C ATOM 1300 O ASP A 78 -6.081 9.040 9.048 1.00 34.13 O ATOM 1301 CB ASP A 78 -7.104 8.125 12.236 1.00 13.51 C ATOM 1302 CG ASP A 78 -8.282 7.763 13.148 1.00 4.33 C ATOM 1303 OD1 ASP A 78 -8.477 6.557 13.420 1.00 25.30 O ATOM 1304 OD2 ASP A 78 -9.027 8.667 13.589 1.00 43.03 O ATOM 0 H ASP A 78 -8.165 6.070 11.323 1.00 3.35 H new ATOM 0 HA ASP A 78 -8.176 8.675 10.422 1.00 52.15 H new ATOM 0 HB2 ASP A 78 -6.246 7.505 12.497 1.00 13.51 H new ATOM 0 HB3 ASP A 78 -6.816 9.161 12.417 1.00 13.51 H new ATOM 1309 N GLU A 79 -5.175 7.237 10.119 1.00 4.34 N ATOM 1310 CA GLU A 79 -3.823 7.301 9.534 1.00 24.40 C ATOM 1311 C GLU A 79 -3.851 7.068 8.020 1.00 53.22 C ATOM 1312 O GLU A 79 -3.132 7.746 7.275 1.00 14.50 O ATOM 1313 CB GLU A 79 -2.905 6.266 10.238 1.00 61.54 C ATOM 1314 CG GLU A 79 -2.611 6.597 11.716 1.00 53.45 C ATOM 1315 CD GLU A 79 -1.773 7.884 11.895 1.00 33.41 C ATOM 1316 OE1 GLU A 79 -0.527 7.808 11.827 1.00 2.21 O ATOM 1317 OE2 GLU A 79 -2.350 8.976 12.097 1.00 31.22 O ATOM 0 H GLU A 79 -5.315 6.422 10.716 1.00 4.34 H new ATOM 0 HA GLU A 79 -3.424 8.302 9.694 1.00 24.40 H new ATOM 0 HB2 GLU A 79 -3.372 5.283 10.182 1.00 61.54 H new ATOM 0 HB3 GLU A 79 -1.962 6.202 9.695 1.00 61.54 H new ATOM 0 HG2 GLU A 79 -3.554 6.707 12.252 1.00 53.45 H new ATOM 0 HG3 GLU A 79 -2.082 5.760 12.171 1.00 53.45 H new ATOM 1324 N LEU A 80 -4.704 6.108 7.589 1.00 64.14 N ATOM 1325 CA LEU A 80 -4.937 5.800 6.161 1.00 15.30 C ATOM 1326 C LEU A 80 -5.303 7.095 5.423 1.00 45.13 C ATOM 1327 O LEU A 80 -4.623 7.494 4.475 1.00 5.13 O ATOM 1328 CB LEU A 80 -6.068 4.709 6.040 1.00 12.01 C ATOM 1329 CG LEU A 80 -6.505 4.204 4.605 1.00 12.32 C ATOM 1330 CD1 LEU A 80 -7.606 5.080 3.969 1.00 61.34 C ATOM 1331 CD2 LEU A 80 -5.300 4.071 3.651 1.00 74.35 C ATOM 0 H LEU A 80 -5.250 5.526 8.224 1.00 64.14 H new ATOM 0 HA LEU A 80 -4.036 5.394 5.701 1.00 15.30 H new ATOM 0 HB2 LEU A 80 -5.745 3.838 6.610 1.00 12.01 H new ATOM 0 HB3 LEU A 80 -6.957 5.102 6.534 1.00 12.01 H new ATOM 0 HG LEU A 80 -6.931 3.213 4.758 1.00 12.32 H new ATOM 0 HD11 LEU A 80 -7.864 4.684 2.987 1.00 61.34 H new ATOM 0 HD12 LEU A 80 -8.490 5.073 4.606 1.00 61.34 H new ATOM 0 HD13 LEU A 80 -7.242 6.102 3.864 1.00 61.34 H new ATOM 0 HD21 LEU A 80 -5.644 3.722 2.677 1.00 74.35 H new ATOM 0 HD22 LEU A 80 -4.816 5.041 3.539 1.00 74.35 H new ATOM 0 HD23 LEU A 80 -4.588 3.356 4.062 1.00 74.35 H new ATOM 1343 N GLU A 81 -6.331 7.772 5.955 1.00 24.15 N ATOM 1344 CA GLU A 81 -6.903 8.981 5.365 1.00 55.43 C ATOM 1345 C GLU A 81 -5.944 10.171 5.482 1.00 42.43 C ATOM 1346 O GLU A 81 -6.004 11.055 4.649 1.00 52.25 O ATOM 1347 CB GLU A 81 -8.270 9.292 6.016 1.00 23.23 C ATOM 1348 CG GLU A 81 -9.309 8.183 5.774 1.00 30.15 C ATOM 1349 CD GLU A 81 -10.659 8.466 6.432 1.00 61.52 C ATOM 1350 OE1 GLU A 81 -11.458 9.232 5.861 1.00 51.21 O ATOM 1351 OE2 GLU A 81 -10.936 7.914 7.515 1.00 64.12 O ATOM 0 H GLU A 81 -6.792 7.487 6.819 1.00 24.15 H new ATOM 0 HA GLU A 81 -7.060 8.803 4.301 1.00 55.43 H new ATOM 0 HB2 GLU A 81 -8.134 9.429 7.089 1.00 23.23 H new ATOM 0 HB3 GLU A 81 -8.651 10.234 5.620 1.00 23.23 H new ATOM 0 HG2 GLU A 81 -9.455 8.059 4.701 1.00 30.15 H new ATOM 0 HG3 GLU A 81 -8.918 7.239 6.154 1.00 30.15 H new ATOM 1358 N GLN A 82 -5.048 10.175 6.498 1.00 3.13 N ATOM 1359 CA GLN A 82 -4.032 11.246 6.641 1.00 34.33 C ATOM 1360 C GLN A 82 -3.060 11.226 5.463 1.00 5.04 C ATOM 1361 O GLN A 82 -2.739 12.281 4.908 1.00 72.44 O ATOM 1362 CB GLN A 82 -3.244 11.160 7.983 1.00 33.44 C ATOM 1363 CG GLN A 82 -4.092 11.445 9.234 1.00 73.34 C ATOM 1364 CD GLN A 82 -4.933 12.723 9.124 1.00 55.23 C ATOM 1365 OE1 GLN A 82 -4.493 13.814 9.486 1.00 40.43 O ATOM 1366 NE2 GLN A 82 -6.154 12.593 8.622 1.00 73.34 N ATOM 0 H GLN A 82 -5.007 9.458 7.222 1.00 3.13 H new ATOM 0 HA GLN A 82 -4.578 12.190 6.649 1.00 34.33 H new ATOM 0 HB2 GLN A 82 -2.809 10.165 8.072 1.00 33.44 H new ATOM 0 HB3 GLN A 82 -2.416 11.868 7.951 1.00 33.44 H new ATOM 0 HG2 GLN A 82 -4.754 10.598 9.415 1.00 73.34 H new ATOM 0 HG3 GLN A 82 -3.434 11.526 10.099 1.00 73.34 H new ATOM 0 HE21 GLN A 82 -6.491 11.675 8.331 1.00 73.34 H new ATOM 0 HE22 GLN A 82 -6.756 13.411 8.527 1.00 73.34 H new ATOM 1375 N VAL A 83 -2.620 10.011 5.085 1.00 1.53 N ATOM 1376 CA VAL A 83 -1.673 9.820 3.974 1.00 54.30 C ATOM 1377 C VAL A 83 -2.373 10.048 2.619 1.00 65.02 C ATOM 1378 O VAL A 83 -1.761 10.576 1.690 1.00 4.50 O ATOM 1379 CB VAL A 83 -0.999 8.400 4.002 1.00 71.04 C ATOM 1380 CG1 VAL A 83 0.155 8.297 2.963 1.00 33.42 C ATOM 1381 CG2 VAL A 83 -0.498 8.061 5.424 1.00 43.13 C ATOM 0 H VAL A 83 -2.908 9.143 5.537 1.00 1.53 H new ATOM 0 HA VAL A 83 -0.883 10.560 4.100 1.00 54.30 H new ATOM 0 HB VAL A 83 -1.755 7.666 3.723 1.00 71.04 H new ATOM 0 HG11 VAL A 83 0.599 7.302 3.009 1.00 33.42 H new ATOM 0 HG12 VAL A 83 -0.240 8.472 1.962 1.00 33.42 H new ATOM 0 HG13 VAL A 83 0.916 9.044 3.189 1.00 33.42 H new ATOM 0 HG21 VAL A 83 -0.035 7.074 5.421 1.00 43.13 H new ATOM 0 HG22 VAL A 83 0.234 8.804 5.739 1.00 43.13 H new ATOM 0 HG23 VAL A 83 -1.339 8.065 6.117 1.00 43.13 H new ATOM 1391 N VAL A 84 -3.662 9.648 2.518 1.00 11.53 N ATOM 1392 CA VAL A 84 -4.453 9.840 1.284 1.00 71.20 C ATOM 1393 C VAL A 84 -4.654 11.344 1.018 1.00 74.45 C ATOM 1394 O VAL A 84 -4.292 11.825 -0.054 1.00 11.23 O ATOM 1395 CB VAL A 84 -5.839 9.088 1.316 1.00 33.54 C ATOM 1396 CG1 VAL A 84 -6.656 9.381 0.031 1.00 21.13 C ATOM 1397 CG2 VAL A 84 -5.642 7.560 1.489 1.00 52.32 C ATOM 0 H VAL A 84 -4.173 9.192 3.274 1.00 11.53 H new ATOM 0 HA VAL A 84 -3.885 9.397 0.466 1.00 71.20 H new ATOM 0 HB VAL A 84 -6.397 9.461 2.175 1.00 33.54 H new ATOM 0 HG11 VAL A 84 -7.608 8.851 0.076 1.00 21.13 H new ATOM 0 HG12 VAL A 84 -6.840 10.453 -0.047 1.00 21.13 H new ATOM 0 HG13 VAL A 84 -6.095 9.045 -0.841 1.00 21.13 H new ATOM 0 HG21 VAL A 84 -6.614 7.068 1.508 1.00 52.32 H new ATOM 0 HG22 VAL A 84 -5.055 7.172 0.657 1.00 52.32 H new ATOM 0 HG23 VAL A 84 -5.118 7.364 2.425 1.00 52.32 H new ATOM 1407 N LYS A 85 -5.190 12.063 2.031 1.00 63.05 N ATOM 1408 CA LYS A 85 -5.386 13.532 1.995 1.00 2.44 C ATOM 1409 C LYS A 85 -4.075 14.258 1.649 1.00 30.14 C ATOM 1410 O LYS A 85 -4.078 15.230 0.894 1.00 45.04 O ATOM 1411 CB LYS A 85 -5.907 14.050 3.363 1.00 52.24 C ATOM 1412 CG LYS A 85 -7.354 13.645 3.722 1.00 43.54 C ATOM 1413 CD LYS A 85 -7.745 14.102 5.154 1.00 13.25 C ATOM 1414 CE LYS A 85 -7.626 15.629 5.353 1.00 42.22 C ATOM 1415 NZ LYS A 85 -7.917 16.048 6.744 1.00 23.23 N ATOM 0 H LYS A 85 -5.501 11.637 2.904 1.00 63.05 H new ATOM 0 HA LYS A 85 -6.124 13.743 1.221 1.00 2.44 H new ATOM 0 HB2 LYS A 85 -5.242 13.686 4.146 1.00 52.24 H new ATOM 0 HB3 LYS A 85 -5.841 15.138 3.368 1.00 52.24 H new ATOM 0 HG2 LYS A 85 -8.043 14.083 3.000 1.00 43.54 H new ATOM 0 HG3 LYS A 85 -7.458 12.563 3.645 1.00 43.54 H new ATOM 0 HD2 LYS A 85 -8.769 13.793 5.361 1.00 13.25 H new ATOM 0 HD3 LYS A 85 -7.107 13.596 5.878 1.00 13.25 H new ATOM 0 HE2 LYS A 85 -6.619 15.949 5.084 1.00 42.22 H new ATOM 0 HE3 LYS A 85 -8.313 16.135 4.674 1.00 42.22 H new ATOM 0 HZ1 LYS A 85 -7.823 17.081 6.822 1.00 23.23 H new ATOM 0 HZ2 LYS A 85 -8.887 15.769 6.995 1.00 23.23 H new ATOM 0 HZ3 LYS A 85 -7.246 15.589 7.392 1.00 23.23 H new ATOM 1429 N ASP A 86 -2.971 13.759 2.236 1.00 72.11 N ATOM 1430 CA ASP A 86 -1.609 14.277 2.029 1.00 50.20 C ATOM 1431 C ASP A 86 -1.233 14.240 0.535 1.00 41.34 C ATOM 1432 O ASP A 86 -0.840 15.256 -0.045 1.00 3.13 O ATOM 1433 CB ASP A 86 -0.615 13.419 2.860 1.00 24.44 C ATOM 1434 CG ASP A 86 0.848 13.861 2.733 1.00 11.12 C ATOM 1435 OD1 ASP A 86 1.531 13.460 1.764 1.00 22.40 O ATOM 1436 OD2 ASP A 86 1.326 14.597 3.613 1.00 34.15 O ATOM 0 H ASP A 86 -3.003 12.969 2.880 1.00 72.11 H new ATOM 0 HA ASP A 86 -1.562 15.315 2.358 1.00 50.20 H new ATOM 0 HB2 ASP A 86 -0.906 13.459 3.910 1.00 24.44 H new ATOM 0 HB3 ASP A 86 -0.698 12.379 2.546 1.00 24.44 H new ATOM 1441 N VAL A 87 -1.385 13.054 -0.069 1.00 52.22 N ATOM 1442 CA VAL A 87 -1.059 12.813 -1.488 1.00 23.53 C ATOM 1443 C VAL A 87 -2.044 13.579 -2.416 1.00 21.52 C ATOM 1444 O VAL A 87 -1.676 13.971 -3.526 1.00 61.24 O ATOM 1445 CB VAL A 87 -1.041 11.260 -1.791 1.00 52.43 C ATOM 1446 CG1 VAL A 87 -0.794 10.955 -3.290 1.00 54.33 C ATOM 1447 CG2 VAL A 87 0.025 10.546 -0.912 1.00 52.54 C ATOM 0 H VAL A 87 -1.739 12.228 0.413 1.00 52.22 H new ATOM 0 HA VAL A 87 -0.060 13.199 -1.693 1.00 23.53 H new ATOM 0 HB VAL A 87 -2.029 10.874 -1.541 1.00 52.43 H new ATOM 0 HG11 VAL A 87 -0.791 9.876 -3.446 1.00 54.33 H new ATOM 0 HG12 VAL A 87 -1.586 11.406 -3.888 1.00 54.33 H new ATOM 0 HG13 VAL A 87 0.169 11.368 -3.592 1.00 54.33 H new ATOM 0 HG21 VAL A 87 0.024 9.479 -1.133 1.00 52.54 H new ATOM 0 HG22 VAL A 87 1.010 10.960 -1.127 1.00 52.54 H new ATOM 0 HG23 VAL A 87 -0.211 10.698 0.141 1.00 52.54 H new