USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 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 Single : A 1 MET CE :methyl -164:sc= -7.34! (180deg=-8.44!) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0.119 (180deg=0.0827) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 150:sc= -0.133 USER MOD Single : A 7 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 10 THR OG1 : rot -46:sc= 0.985 USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.112 (180deg=-0.522) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -61:sc= -2.04! USER MOD Single : A 72 SER OG : rot 180:sc= 0.144 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0781 X(o=-0.078,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.739 1.387 -2.181 1.00 43.34 N ATOM 2 CA MET A 1 0.140 1.333 -3.344 1.00 23.41 C ATOM 3 C MET A 1 1.604 1.416 -2.923 1.00 40.51 C ATOM 4 O MET A 1 2.008 2.348 -2.226 1.00 62.42 O ATOM 5 CB MET A 1 -0.190 2.469 -4.313 1.00 42.23 C ATOM 6 CG MET A 1 -0.205 2.039 -5.771 1.00 41.23 C ATOM 7 SD MET A 1 1.353 1.296 -6.292 1.00 41.25 S ATOM 8 CE MET A 1 0.959 0.829 -7.976 1.00 33.41 C ATOM 0 H1 MET A 1 -1.705 1.127 -2.464 1.00 43.34 H new ATOM 0 H2 MET A 1 -0.399 0.721 -1.458 1.00 43.34 H new ATOM 0 H3 MET A 1 -0.740 2.351 -1.791 1.00 43.34 H new ATOM 0 HA MET A 1 -0.022 0.379 -3.846 1.00 23.41 H new ATOM 0 HB2 MET A 1 -1.164 2.884 -4.055 1.00 42.23 H new ATOM 0 HB3 MET A 1 0.541 3.268 -4.186 1.00 42.23 H new ATOM 0 HG2 MET A 1 -1.014 1.325 -5.927 1.00 41.23 H new ATOM 0 HG3 MET A 1 -0.418 2.904 -6.399 1.00 41.23 H new ATOM 0 HE1 MET A 1 1.700 0.117 -8.339 1.00 33.41 H new ATOM 0 HE2 MET A 1 -0.030 0.371 -8.005 1.00 33.41 H new ATOM 0 HE3 MET A 1 0.967 1.715 -8.611 1.00 33.41 H new ATOM 18 N LYS A 2 2.395 0.438 -3.350 1.00 72.12 N ATOM 19 CA LYS A 2 3.814 0.401 -3.019 1.00 63.20 C ATOM 20 C LYS A 2 4.630 1.201 -4.030 1.00 12.04 C ATOM 21 O LYS A 2 4.449 1.060 -5.239 1.00 65.31 O ATOM 22 CB LYS A 2 4.312 -1.046 -2.977 1.00 53.13 C ATOM 23 CG LYS A 2 3.833 -1.819 -1.761 1.00 11.13 C ATOM 24 CD LYS A 2 4.946 -2.003 -0.743 1.00 43.22 C ATOM 25 CE LYS A 2 4.392 -2.281 0.646 1.00 52.24 C ATOM 26 NZ LYS A 2 4.202 -3.738 0.886 1.00 72.15 N ATOM 0 H LYS A 2 2.077 -0.341 -3.927 1.00 72.12 H new ATOM 0 HA LYS A 2 3.943 0.852 -2.035 1.00 63.20 H new ATOM 0 HB2 LYS A 2 3.981 -1.562 -3.878 1.00 53.13 H new ATOM 0 HB3 LYS A 2 5.402 -1.047 -2.991 1.00 53.13 H new ATOM 0 HG2 LYS A 2 2.999 -1.291 -1.298 1.00 11.13 H new ATOM 0 HG3 LYS A 2 3.459 -2.794 -2.073 1.00 11.13 H new ATOM 0 HD2 LYS A 2 5.589 -2.827 -1.051 1.00 43.22 H new ATOM 0 HD3 LYS A 2 5.567 -1.108 -0.716 1.00 43.22 H new ATOM 0 HE2 LYS A 2 5.071 -1.875 1.396 1.00 52.24 H new ATOM 0 HE3 LYS A 2 3.439 -1.766 0.767 1.00 52.24 H new ATOM 0 HZ1 LYS A 2 3.823 -3.886 1.843 1.00 72.15 H new ATOM 0 HZ2 LYS A 2 3.534 -4.121 0.187 1.00 72.15 H new ATOM 0 HZ3 LYS A 2 5.116 -4.227 0.796 1.00 72.15 H new ATOM 40 N VAL A 3 5.529 2.041 -3.526 1.00 33.23 N ATOM 41 CA VAL A 3 6.374 2.861 -4.385 1.00 10.54 C ATOM 42 C VAL A 3 7.851 2.579 -4.134 1.00 70.43 C ATOM 43 O VAL A 3 8.286 2.462 -2.988 1.00 40.34 O ATOM 44 CB VAL A 3 6.106 4.363 -4.167 1.00 30.52 C ATOM 45 CG1 VAL A 3 6.421 5.150 -5.429 1.00 50.14 C ATOM 46 CG2 VAL A 3 4.666 4.589 -3.733 1.00 34.41 C ATOM 0 H VAL A 3 5.690 2.171 -2.527 1.00 33.23 H new ATOM 0 HA VAL A 3 6.127 2.600 -5.414 1.00 10.54 H new ATOM 0 HB VAL A 3 6.761 4.720 -3.372 1.00 30.52 H new ATOM 0 HG11 VAL A 3 6.226 6.208 -5.256 1.00 50.14 H new ATOM 0 HG12 VAL A 3 7.470 5.013 -5.691 1.00 50.14 H new ATOM 0 HG13 VAL A 3 5.793 4.794 -6.246 1.00 50.14 H new ATOM 0 HG21 VAL A 3 4.494 5.655 -3.583 1.00 34.41 H new ATOM 0 HG22 VAL A 3 3.991 4.217 -4.504 1.00 34.41 H new ATOM 0 HG23 VAL A 3 4.479 4.057 -2.800 1.00 34.41 H new ATOM 56 N TYR A 4 8.618 2.469 -5.213 1.00 53.35 N ATOM 57 CA TYR A 4 10.047 2.198 -5.112 1.00 33.05 C ATOM 58 C TYR A 4 10.861 3.316 -5.756 1.00 32.14 C ATOM 59 O TYR A 4 10.771 3.550 -6.961 1.00 10.32 O ATOM 60 CB TYR A 4 10.382 0.861 -5.774 1.00 72.15 C ATOM 61 CG TYR A 4 11.610 0.912 -6.654 1.00 44.33 C ATOM 62 CD1 TYR A 4 12.885 0.889 -6.103 1.00 45.50 C ATOM 63 CD2 TYR A 4 11.496 0.983 -8.037 1.00 72.23 C ATOM 64 CE1 TYR A 4 14.011 0.937 -6.903 1.00 55.11 C ATOM 65 CE2 TYR A 4 12.615 1.029 -8.845 1.00 44.33 C ATOM 66 CZ TYR A 4 13.870 1.007 -8.274 1.00 24.24 C ATOM 67 OH TYR A 4 14.989 1.053 -9.074 1.00 73.01 O ATOM 0 H TYR A 4 8.274 2.563 -6.168 1.00 53.35 H new ATOM 0 HA TYR A 4 10.307 2.147 -4.055 1.00 33.05 H new ATOM 0 HB2 TYR A 4 10.531 0.109 -4.999 1.00 72.15 H new ATOM 0 HB3 TYR A 4 9.530 0.538 -6.372 1.00 72.15 H new ATOM 0 HD1 TYR A 4 12.998 0.833 -5.030 1.00 45.50 H new ATOM 0 HD2 TYR A 4 10.515 1.003 -8.488 1.00 72.23 H new ATOM 0 HE1 TYR A 4 14.995 0.920 -6.458 1.00 55.11 H new ATOM 0 HE2 TYR A 4 12.508 1.082 -9.918 1.00 44.33 H new ATOM 0 HH TYR A 4 14.791 0.633 -9.937 1.00 73.01 H new ATOM 77 N VAL A 5 11.657 4.003 -4.943 1.00 14.54 N ATOM 78 CA VAL A 5 12.489 5.096 -5.431 1.00 41.14 C ATOM 79 C VAL A 5 13.948 4.894 -5.038 1.00 11.14 C ATOM 80 O VAL A 5 14.325 5.099 -3.884 1.00 74.54 O ATOM 81 CB VAL A 5 12.006 6.455 -4.890 1.00 61.05 C ATOM 82 CG1 VAL A 5 10.743 6.899 -5.612 1.00 72.32 C ATOM 83 CG2 VAL A 5 11.773 6.378 -3.389 1.00 43.02 C ATOM 0 H VAL A 5 11.743 3.822 -3.943 1.00 14.54 H new ATOM 0 HA VAL A 5 12.405 5.096 -6.518 1.00 41.14 H new ATOM 0 HB VAL A 5 12.782 7.197 -5.076 1.00 61.05 H new ATOM 0 HG11 VAL A 5 10.417 7.861 -5.216 1.00 72.32 H new ATOM 0 HG12 VAL A 5 10.948 6.996 -6.678 1.00 72.32 H new ATOM 0 HG13 VAL A 5 9.958 6.159 -5.460 1.00 72.32 H new ATOM 0 HG21 VAL A 5 11.432 7.347 -3.024 1.00 43.02 H new ATOM 0 HG22 VAL A 5 11.016 5.623 -3.177 1.00 43.02 H new ATOM 0 HG23 VAL A 5 12.704 6.109 -2.890 1.00 43.02 H new ATOM 93 N GLY A 6 14.766 4.491 -6.005 1.00 43.32 N ATOM 94 CA GLY A 6 16.176 4.269 -5.740 1.00 35.40 C ATOM 95 C GLY A 6 17.072 5.126 -6.611 1.00 60.12 C ATOM 96 O GLY A 6 16.660 6.183 -7.087 1.00 33.14 O ATOM 0 H GLY A 6 14.478 4.314 -6.967 1.00 43.32 H new ATOM 0 HA2 GLY A 6 16.383 4.482 -4.691 1.00 35.40 H new ATOM 0 HA3 GLY A 6 16.412 3.218 -5.905 1.00 35.40 H new ATOM 100 N ASN A 7 18.303 4.670 -6.820 1.00 1.23 N ATOM 101 CA ASN A 7 19.261 5.404 -7.638 1.00 4.41 C ATOM 102 C ASN A 7 19.574 6.764 -7.021 1.00 52.52 C ATOM 103 O ASN A 7 19.261 7.807 -7.598 1.00 65.25 O ATOM 104 CB ASN A 7 18.718 5.588 -9.056 1.00 73.22 C ATOM 105 CG ASN A 7 19.111 4.449 -9.978 1.00 12.42 C ATOM 106 OD1 ASN A 7 19.879 4.637 -10.921 1.00 71.14 O ATOM 107 ND2 ASN A 7 18.584 3.261 -9.708 1.00 32.24 N ATOM 0 H ASN A 7 18.660 3.796 -6.434 1.00 1.23 H new ATOM 0 HA ASN A 7 20.183 4.824 -7.682 1.00 4.41 H new ATOM 0 HB2 ASN A 7 17.631 5.663 -9.019 1.00 73.22 H new ATOM 0 HB3 ASN A 7 19.089 6.528 -9.465 1.00 73.22 H new ATOM 0 HD21 ASN A 7 18.811 2.457 -10.293 1.00 32.24 H new ATOM 0 HD22 ASN A 7 17.952 3.152 -8.915 1.00 32.24 H new ATOM 114 N LEU A 8 20.192 6.747 -5.846 1.00 23.33 N ATOM 115 CA LEU A 8 20.548 7.978 -5.150 1.00 3.52 C ATOM 116 C LEU A 8 22.046 8.250 -5.254 1.00 73.42 C ATOM 117 O LEU A 8 22.806 7.955 -4.333 1.00 61.32 O ATOM 118 CB LEU A 8 20.135 7.895 -3.679 1.00 60.54 C ATOM 119 CG LEU A 8 18.796 7.213 -3.397 1.00 13.25 C ATOM 120 CD1 LEU A 8 18.599 7.023 -1.901 1.00 11.04 C ATOM 121 CD2 LEU A 8 17.650 8.022 -3.988 1.00 64.24 C ATOM 0 H LEU A 8 20.457 5.893 -5.355 1.00 23.33 H new ATOM 0 HA LEU A 8 20.014 8.801 -5.625 1.00 3.52 H new ATOM 0 HB2 LEU A 8 20.914 7.362 -3.133 1.00 60.54 H new ATOM 0 HB3 LEU A 8 20.097 8.907 -3.275 1.00 60.54 H new ATOM 0 HG LEU A 8 18.804 6.231 -3.870 1.00 13.25 H new ATOM 0 HD11 LEU A 8 17.641 6.536 -1.719 1.00 11.04 H new ATOM 0 HD12 LEU A 8 19.402 6.402 -1.504 1.00 11.04 H new ATOM 0 HD13 LEU A 8 18.612 7.994 -1.406 1.00 11.04 H new ATOM 0 HD21 LEU A 8 16.705 7.521 -3.778 1.00 64.24 H new ATOM 0 HD22 LEU A 8 17.640 9.017 -3.544 1.00 64.24 H new ATOM 0 HD23 LEU A 8 17.783 8.107 -5.066 1.00 64.24 H new ATOM 133 N GLY A 9 22.462 8.816 -6.383 1.00 23.30 N ATOM 134 CA GLY A 9 23.867 9.119 -6.586 1.00 52.32 C ATOM 135 C GLY A 9 24.076 10.394 -7.379 1.00 55.30 C ATOM 136 O GLY A 9 24.752 10.392 -8.408 1.00 25.42 O ATOM 0 H GLY A 9 21.852 9.070 -7.160 1.00 23.30 H new ATOM 0 HA2 GLY A 9 24.359 9.212 -5.618 1.00 52.32 H new ATOM 0 HA3 GLY A 9 24.343 8.288 -7.107 1.00 52.32 H new ATOM 140 N THR A 10 23.491 11.489 -6.901 1.00 63.14 N ATOM 141 CA THR A 10 23.614 12.776 -7.574 1.00 10.13 C ATOM 142 C THR A 10 22.941 13.883 -6.770 1.00 30.42 C ATOM 143 O THR A 10 22.409 14.838 -7.334 1.00 64.21 O ATOM 144 CB THR A 10 22.997 12.734 -8.984 1.00 51.15 C ATOM 145 OG1 THR A 10 23.231 13.975 -9.659 1.00 4.31 O ATOM 146 CG2 THR A 10 21.501 12.464 -8.913 1.00 45.42 C ATOM 0 H THR A 10 22.928 11.510 -6.051 1.00 63.14 H new ATOM 0 HA THR A 10 24.680 12.988 -7.658 1.00 10.13 H new ATOM 0 HB THR A 10 23.470 11.924 -9.539 1.00 51.15 H new ATOM 0 HG1 THR A 10 23.031 14.719 -9.054 1.00 4.31 H new ATOM 0 HG21 THR A 10 21.088 12.439 -9.921 1.00 45.42 H new ATOM 0 HG22 THR A 10 21.327 11.505 -8.426 1.00 45.42 H new ATOM 0 HG23 THR A 10 21.015 13.255 -8.341 1.00 45.42 H new ATOM 154 N GLY A 11 22.968 13.748 -5.447 1.00 62.53 N ATOM 155 CA GLY A 11 22.358 14.744 -4.587 1.00 55.11 C ATOM 156 C GLY A 11 20.856 14.572 -4.476 1.00 54.53 C ATOM 157 O GLY A 11 20.133 15.530 -4.200 1.00 24.21 O ATOM 0 H GLY A 11 23.402 12.966 -4.956 1.00 62.53 H new ATOM 0 HA2 GLY A 11 22.802 14.683 -3.593 1.00 55.11 H new ATOM 0 HA3 GLY A 11 22.579 15.739 -4.974 1.00 55.11 H new ATOM 161 N ALA A 12 20.384 13.349 -4.694 1.00 53.33 N ATOM 162 CA ALA A 12 18.958 13.056 -4.617 1.00 61.51 C ATOM 163 C ALA A 12 18.694 11.850 -3.722 1.00 33.14 C ATOM 164 O ALA A 12 18.935 10.709 -4.113 1.00 74.22 O ATOM 165 CB ALA A 12 18.393 12.816 -6.009 1.00 74.41 C ATOM 0 H ALA A 12 20.968 12.545 -4.925 1.00 53.33 H new ATOM 0 HA ALA A 12 18.458 13.919 -4.177 1.00 61.51 H new ATOM 0 HB1 ALA A 12 17.327 12.598 -5.937 1.00 74.41 H new ATOM 0 HB2 ALA A 12 18.541 13.706 -6.620 1.00 74.41 H new ATOM 0 HB3 ALA A 12 18.905 11.971 -6.469 1.00 74.41 H new ATOM 171 N GLY A 13 18.197 12.111 -2.516 1.00 41.22 N ATOM 172 CA GLY A 13 17.909 11.037 -1.584 1.00 2.13 C ATOM 173 C GLY A 13 16.546 11.181 -0.937 1.00 31.32 C ATOM 174 O GLY A 13 15.534 11.317 -1.626 1.00 4.15 O ATOM 0 H GLY A 13 17.989 13.047 -2.169 1.00 41.22 H new ATOM 0 HA2 GLY A 13 17.960 10.082 -2.107 1.00 2.13 H new ATOM 0 HA3 GLY A 13 18.675 11.017 -0.809 1.00 2.13 H new ATOM 178 N LYS A 14 16.517 11.149 0.391 1.00 34.41 N ATOM 179 CA LYS A 14 15.268 11.276 1.133 1.00 74.23 C ATOM 180 C LYS A 14 14.640 12.648 0.910 1.00 1.23 C ATOM 181 O LYS A 14 13.453 12.757 0.605 1.00 63.30 O ATOM 182 CB LYS A 14 15.512 11.051 2.627 1.00 43.15 C ATOM 183 CG LYS A 14 14.260 10.669 3.397 1.00 25.12 C ATOM 184 CD LYS A 14 13.717 11.842 4.195 1.00 0.23 C ATOM 185 CE LYS A 14 12.795 11.377 5.312 1.00 55.43 C ATOM 186 NZ LYS A 14 13.522 10.576 6.334 1.00 33.44 N ATOM 0 H LYS A 14 17.345 11.036 0.976 1.00 34.41 H new ATOM 0 HA LYS A 14 14.578 10.516 0.766 1.00 74.23 H new ATOM 0 HB2 LYS A 14 16.258 10.266 2.751 1.00 43.15 H new ATOM 0 HB3 LYS A 14 15.931 11.960 3.059 1.00 43.15 H new ATOM 0 HG2 LYS A 14 13.498 10.316 2.702 1.00 25.12 H new ATOM 0 HG3 LYS A 14 14.484 9.842 4.071 1.00 25.12 H new ATOM 0 HD2 LYS A 14 14.545 12.410 4.618 1.00 0.23 H new ATOM 0 HD3 LYS A 14 13.175 12.515 3.531 1.00 0.23 H new ATOM 0 HE2 LYS A 14 12.336 12.243 5.789 1.00 55.43 H new ATOM 0 HE3 LYS A 14 11.986 10.780 4.890 1.00 55.43 H new ATOM 0 HZ1 LYS A 14 13.011 10.621 7.238 1.00 33.44 H new ATOM 0 HZ2 LYS A 14 13.584 9.587 6.020 1.00 33.44 H new ATOM 0 HZ3 LYS A 14 14.480 10.960 6.459 1.00 33.44 H new ATOM 200 N GLY A 15 15.446 13.695 1.064 1.00 30.43 N ATOM 201 CA GLY A 15 14.952 15.046 0.875 1.00 34.21 C ATOM 202 C GLY A 15 14.423 15.279 -0.527 1.00 25.15 C ATOM 203 O GLY A 15 13.372 15.892 -0.706 1.00 33.23 O ATOM 0 H GLY A 15 16.432 13.631 1.316 1.00 30.43 H new ATOM 0 HA2 GLY A 15 14.159 15.244 1.597 1.00 34.21 H new ATOM 0 HA3 GLY A 15 15.754 15.755 1.080 1.00 34.21 H new ATOM 207 N GLU A 16 15.156 14.790 -1.522 1.00 40.24 N ATOM 208 CA GLU A 16 14.755 14.952 -2.915 1.00 64.51 C ATOM 209 C GLU A 16 13.433 14.241 -3.187 1.00 34.25 C ATOM 210 O GLU A 16 12.466 14.855 -3.639 1.00 51.43 O ATOM 211 CB GLU A 16 15.840 14.407 -3.847 1.00 50.43 C ATOM 212 CG GLU A 16 16.451 15.464 -4.753 1.00 34.14 C ATOM 213 CD GLU A 16 15.403 16.305 -5.457 1.00 24.23 C ATOM 214 OE1 GLU A 16 14.952 15.900 -6.548 1.00 62.12 O ATOM 215 OE2 GLU A 16 15.035 17.368 -4.915 1.00 42.30 O ATOM 0 H GLU A 16 16.029 14.279 -1.390 1.00 40.24 H new ATOM 0 HA GLU A 16 14.621 16.017 -3.106 1.00 64.51 H new ATOM 0 HB2 GLU A 16 16.629 13.955 -3.247 1.00 50.43 H new ATOM 0 HB3 GLU A 16 15.414 13.615 -4.463 1.00 50.43 H new ATOM 0 HG2 GLU A 16 17.097 16.114 -4.163 1.00 34.14 H new ATOM 0 HG3 GLU A 16 17.082 14.979 -5.497 1.00 34.14 H new ATOM 222 N LEU A 17 13.397 12.943 -2.907 1.00 64.54 N ATOM 223 CA LEU A 17 12.194 12.146 -3.121 1.00 51.34 C ATOM 224 C LEU A 17 11.040 12.663 -2.268 1.00 23.24 C ATOM 225 O LEU A 17 9.875 12.536 -2.641 1.00 33.01 O ATOM 226 CB LEU A 17 12.466 10.677 -2.796 1.00 23.32 C ATOM 227 CG LEU A 17 12.203 10.249 -1.351 1.00 41.34 C ATOM 228 CD1 LEU A 17 10.761 9.795 -1.183 1.00 44.33 C ATOM 229 CD2 LEU A 17 13.164 9.144 -0.939 1.00 31.31 C ATOM 0 H LEU A 17 14.188 12.420 -2.531 1.00 64.54 H new ATOM 0 HA LEU A 17 11.913 12.232 -4.171 1.00 51.34 H new ATOM 0 HB2 LEU A 17 11.853 10.061 -3.454 1.00 23.32 H new ATOM 0 HB3 LEU A 17 13.507 10.460 -3.034 1.00 23.32 H new ATOM 0 HG LEU A 17 12.370 11.108 -0.701 1.00 41.34 H new ATOM 0 HD11 LEU A 17 10.592 9.494 -0.149 1.00 44.33 H new ATOM 0 HD12 LEU A 17 10.089 10.615 -1.437 1.00 44.33 H new ATOM 0 HD13 LEU A 17 10.566 8.950 -1.843 1.00 44.33 H new ATOM 0 HD21 LEU A 17 12.962 8.852 0.092 1.00 31.31 H new ATOM 0 HD22 LEU A 17 13.030 8.282 -1.593 1.00 31.31 H new ATOM 0 HD23 LEU A 17 14.189 9.505 -1.020 1.00 31.31 H new ATOM 241 N GLU A 18 11.375 13.247 -1.121 1.00 55.12 N ATOM 242 CA GLU A 18 10.366 13.784 -0.216 1.00 14.03 C ATOM 243 C GLU A 18 9.680 15.003 -0.826 1.00 43.21 C ATOM 244 O GLU A 18 8.453 15.104 -0.826 1.00 63.53 O ATOM 245 CB GLU A 18 11.000 14.160 1.125 1.00 31.21 C ATOM 246 CG GLU A 18 10.033 14.822 2.092 1.00 54.24 C ATOM 247 CD GLU A 18 10.539 14.814 3.521 1.00 52.10 C ATOM 248 OE1 GLU A 18 11.752 15.034 3.721 1.00 11.13 O ATOM 249 OE2 GLU A 18 9.723 14.588 4.439 1.00 60.33 O ATOM 0 H GLU A 18 12.336 13.360 -0.797 1.00 55.12 H new ATOM 0 HA GLU A 18 9.615 13.011 -0.051 1.00 14.03 H new ATOM 0 HB2 GLU A 18 11.407 13.262 1.589 1.00 31.21 H new ATOM 0 HB3 GLU A 18 11.838 14.833 0.945 1.00 31.21 H new ATOM 0 HG2 GLU A 18 9.859 15.851 1.778 1.00 54.24 H new ATOM 0 HG3 GLU A 18 9.073 14.308 2.048 1.00 54.24 H new ATOM 256 N ARG A 19 10.482 15.928 -1.344 1.00 62.45 N ATOM 257 CA ARG A 19 9.954 17.141 -1.956 1.00 41.03 C ATOM 258 C ARG A 19 9.127 16.810 -3.195 1.00 31.31 C ATOM 259 O ARG A 19 8.044 17.359 -3.395 1.00 70.24 O ATOM 260 CB ARG A 19 11.096 18.087 -2.331 1.00 1.42 C ATOM 261 CG ARG A 19 10.643 19.514 -2.594 1.00 42.23 C ATOM 262 CD ARG A 19 11.028 20.441 -1.451 1.00 74.34 C ATOM 263 NE ARG A 19 10.208 20.214 -0.264 1.00 10.50 N ATOM 264 CZ ARG A 19 10.301 20.943 0.843 1.00 54.33 C ATOM 265 NH1 ARG A 19 11.172 21.940 0.913 1.00 21.01 N ATOM 266 NH2 ARG A 19 9.520 20.676 1.882 1.00 70.11 N ATOM 0 H ARG A 19 11.500 15.860 -1.352 1.00 62.45 H new ATOM 0 HA ARG A 19 9.307 17.632 -1.229 1.00 41.03 H new ATOM 0 HB2 ARG A 19 11.832 18.091 -1.527 1.00 1.42 H new ATOM 0 HB3 ARG A 19 11.597 17.704 -3.220 1.00 1.42 H new ATOM 0 HG2 ARG A 19 11.089 19.873 -3.521 1.00 42.23 H new ATOM 0 HG3 ARG A 19 9.562 19.534 -2.732 1.00 42.23 H new ATOM 0 HD2 ARG A 19 12.078 20.291 -1.200 1.00 74.34 H new ATOM 0 HD3 ARG A 19 10.922 21.477 -1.773 1.00 74.34 H new ATOM 0 HE ARG A 19 9.527 19.455 -0.286 1.00 10.50 H new ATOM 0 HH11 ARG A 19 11.773 22.149 0.116 1.00 21.01 H new ATOM 0 HH12 ARG A 19 11.241 22.498 1.764 1.00 21.01 H new ATOM 0 HH21 ARG A 19 8.848 19.911 1.831 1.00 70.11 H new ATOM 0 HH22 ARG A 19 9.592 21.236 2.731 1.00 70.11 H new ATOM 280 N ALA A 20 9.645 15.909 -4.023 1.00 24.52 N ATOM 281 CA ALA A 20 8.954 15.503 -5.240 1.00 45.05 C ATOM 282 C ALA A 20 7.616 14.848 -4.920 1.00 35.53 C ATOM 283 O ALA A 20 6.562 15.328 -5.338 1.00 32.30 O ATOM 284 CB ALA A 20 9.827 14.557 -6.052 1.00 33.40 C ATOM 0 H ALA A 20 10.541 15.446 -3.873 1.00 24.52 H new ATOM 0 HA ALA A 20 8.758 16.397 -5.832 1.00 45.05 H new ATOM 0 HB1 ALA A 20 9.298 14.262 -6.958 1.00 33.40 H new ATOM 0 HB2 ALA A 20 10.756 15.060 -6.321 1.00 33.40 H new ATOM 0 HB3 ALA A 20 10.053 13.671 -5.459 1.00 33.40 H new ATOM 290 N PHE A 21 7.664 13.748 -4.175 1.00 73.45 N ATOM 291 CA PHE A 21 6.454 13.025 -3.800 1.00 60.00 C ATOM 292 C PHE A 21 5.430 13.967 -3.174 1.00 52.23 C ATOM 293 O PHE A 21 4.278 14.023 -3.605 1.00 11.44 O ATOM 294 CB PHE A 21 6.791 11.897 -2.822 1.00 52.50 C ATOM 295 CG PHE A 21 7.108 10.594 -3.497 1.00 21.43 C ATOM 296 CD1 PHE A 21 8.271 10.445 -4.235 1.00 51.44 C ATOM 297 CD2 PHE A 21 6.243 9.516 -3.393 1.00 1.14 C ATOM 298 CE1 PHE A 21 8.566 9.247 -4.857 1.00 60.22 C ATOM 299 CE2 PHE A 21 6.533 8.315 -4.012 1.00 1.12 C ATOM 300 CZ PHE A 21 7.695 8.181 -4.746 1.00 63.40 C ATOM 0 H PHE A 21 8.528 13.338 -3.819 1.00 73.45 H new ATOM 0 HA PHE A 21 6.022 12.596 -4.704 1.00 60.00 H new ATOM 0 HB2 PHE A 21 7.643 12.198 -2.212 1.00 52.50 H new ATOM 0 HB3 PHE A 21 5.950 11.751 -2.144 1.00 52.50 H new ATOM 0 HD1 PHE A 21 8.955 11.276 -4.325 1.00 51.44 H new ATOM 0 HD2 PHE A 21 5.332 9.616 -2.822 1.00 1.14 H new ATOM 0 HE1 PHE A 21 9.476 9.144 -5.429 1.00 60.22 H new ATOM 0 HE2 PHE A 21 5.852 7.482 -3.922 1.00 1.12 H new ATOM 0 HZ PHE A 21 7.922 7.244 -5.233 1.00 63.40 H new ATOM 310 N SER A 22 5.859 14.705 -2.155 1.00 55.23 N ATOM 311 CA SER A 22 4.979 15.642 -1.467 1.00 14.15 C ATOM 312 C SER A 22 4.405 16.666 -2.442 1.00 21.14 C ATOM 313 O SER A 22 3.221 16.998 -2.385 1.00 72.13 O ATOM 314 CB SER A 22 5.737 16.357 -0.346 1.00 75.22 C ATOM 315 OG SER A 22 5.068 17.543 0.045 1.00 1.54 O ATOM 0 H SER A 22 6.810 14.672 -1.788 1.00 55.23 H new ATOM 0 HA SER A 22 4.154 15.076 -1.035 1.00 14.15 H new ATOM 0 HB2 SER A 22 5.836 15.692 0.512 1.00 75.22 H new ATOM 0 HB3 SER A 22 6.746 16.598 -0.681 1.00 75.22 H new ATOM 0 HG SER A 22 5.571 17.981 0.763 1.00 1.54 H new ATOM 321 N TYR A 23 5.254 17.162 -3.335 1.00 13.53 N ATOM 322 CA TYR A 23 4.833 18.150 -4.321 1.00 45.43 C ATOM 323 C TYR A 23 3.656 17.634 -5.142 1.00 71.23 C ATOM 324 O TYR A 23 2.674 18.345 -5.356 1.00 40.24 O ATOM 325 CB TYR A 23 5.998 18.505 -5.247 1.00 64.11 C ATOM 326 CG TYR A 23 6.714 19.779 -4.859 1.00 22.00 C ATOM 327 CD1 TYR A 23 6.998 20.062 -3.528 1.00 61.44 C ATOM 328 CD2 TYR A 23 7.106 20.700 -5.822 1.00 54.52 C ATOM 329 CE1 TYR A 23 7.651 21.225 -3.169 1.00 23.41 C ATOM 330 CE2 TYR A 23 7.760 21.865 -5.472 1.00 44.30 C ATOM 331 CZ TYR A 23 8.031 22.123 -4.144 1.00 72.03 C ATOM 332 OH TYR A 23 8.682 23.283 -3.791 1.00 73.12 O ATOM 0 H TYR A 23 6.237 16.896 -3.396 1.00 13.53 H new ATOM 0 HA TYR A 23 4.515 19.046 -3.787 1.00 45.43 H new ATOM 0 HB2 TYR A 23 6.713 17.682 -5.249 1.00 64.11 H new ATOM 0 HB3 TYR A 23 5.624 18.604 -6.266 1.00 64.11 H new ATOM 0 HD1 TYR A 23 6.703 19.361 -2.762 1.00 61.44 H new ATOM 0 HD2 TYR A 23 6.896 20.502 -6.863 1.00 54.52 H new ATOM 0 HE1 TYR A 23 7.863 21.430 -2.130 1.00 23.41 H new ATOM 0 HE2 TYR A 23 8.058 22.570 -6.234 1.00 44.30 H new ATOM 0 HH TYR A 23 8.880 23.805 -4.596 1.00 73.12 H new ATOM 342 N TYR A 24 3.762 16.391 -5.599 1.00 33.13 N ATOM 343 CA TYR A 24 2.707 15.778 -6.398 1.00 24.33 C ATOM 344 C TYR A 24 1.493 15.447 -5.536 1.00 12.24 C ATOM 345 O TYR A 24 0.355 15.502 -5.999 1.00 54.42 O ATOM 346 CB TYR A 24 3.226 14.509 -7.076 1.00 75.44 C ATOM 347 CG TYR A 24 4.054 14.778 -8.313 1.00 35.05 C ATOM 348 CD1 TYR A 24 5.191 15.573 -8.251 1.00 63.12 C ATOM 349 CD2 TYR A 24 3.698 14.236 -9.542 1.00 2.41 C ATOM 350 CE1 TYR A 24 5.950 15.822 -9.378 1.00 41.13 C ATOM 351 CE2 TYR A 24 4.452 14.479 -10.674 1.00 10.10 C ATOM 352 CZ TYR A 24 5.577 15.273 -10.587 1.00 74.12 C ATOM 353 OH TYR A 24 6.331 15.518 -11.712 1.00 34.41 O ATOM 0 H TYR A 24 4.567 15.788 -5.430 1.00 33.13 H new ATOM 0 HA TYR A 24 2.403 16.493 -7.162 1.00 24.33 H new ATOM 0 HB2 TYR A 24 3.827 13.946 -6.362 1.00 75.44 H new ATOM 0 HB3 TYR A 24 2.379 13.879 -7.346 1.00 75.44 H new ATOM 0 HD1 TYR A 24 5.487 16.004 -7.306 1.00 63.12 H new ATOM 0 HD2 TYR A 24 2.818 13.615 -9.614 1.00 2.41 H new ATOM 0 HE1 TYR A 24 6.831 16.443 -9.313 1.00 41.13 H new ATOM 0 HE2 TYR A 24 4.162 14.050 -11.622 1.00 10.10 H new ATOM 0 HH TYR A 24 5.933 15.057 -12.480 1.00 34.41 H new ATOM 363 N GLY A 25 1.745 15.104 -4.276 1.00 71.40 N ATOM 364 CA GLY A 25 0.664 14.770 -3.368 1.00 33.44 C ATOM 365 C GLY A 25 1.161 14.147 -2.078 1.00 62.02 C ATOM 366 O GLY A 25 2.275 13.628 -2.004 1.00 20.31 O ATOM 0 H GLY A 25 2.679 15.052 -3.868 1.00 71.40 H new ATOM 0 HA2 GLY A 25 0.096 15.671 -3.137 1.00 33.44 H new ATOM 0 HA3 GLY A 25 -0.020 14.080 -3.861 1.00 33.44 H new ATOM 370 N PRO A 26 0.324 14.196 -1.031 1.00 42.13 N ATOM 371 CA PRO A 26 0.664 13.638 0.281 1.00 42.20 C ATOM 372 C PRO A 26 0.714 12.114 0.268 1.00 43.24 C ATOM 373 O PRO A 26 -0.306 11.451 0.075 1.00 23.15 O ATOM 374 CB PRO A 26 -0.474 14.128 1.180 1.00 25.13 C ATOM 375 CG PRO A 26 -1.620 14.349 0.255 1.00 43.04 C ATOM 376 CD PRO A 26 -1.019 14.800 -1.048 1.00 61.31 C ATOM 0 HA PRO A 26 1.654 13.952 0.613 1.00 42.20 H new ATOM 0 HB2 PRO A 26 -0.719 13.391 1.945 1.00 25.13 H new ATOM 0 HB3 PRO A 26 -0.201 15.047 1.699 1.00 25.13 H new ATOM 0 HG2 PRO A 26 -2.197 13.434 0.123 1.00 43.04 H new ATOM 0 HG3 PRO A 26 -2.302 15.101 0.651 1.00 43.04 H new ATOM 0 HD2 PRO A 26 -1.604 14.456 -1.901 1.00 61.31 H new ATOM 0 HD3 PRO A 26 -0.970 15.887 -1.113 1.00 61.31 H new ATOM 384 N LEU A 27 1.906 11.564 0.473 1.00 0.41 N ATOM 385 CA LEU A 27 2.089 10.117 0.485 1.00 0.12 C ATOM 386 C LEU A 27 1.806 9.544 1.870 1.00 11.12 C ATOM 387 O LEU A 27 1.795 10.272 2.863 1.00 34.43 O ATOM 388 CB LEU A 27 3.512 9.760 0.054 1.00 25.41 C ATOM 389 CG LEU A 27 4.640 10.391 0.871 1.00 11.25 C ATOM 390 CD1 LEU A 27 4.855 9.623 2.166 1.00 1.34 C ATOM 391 CD2 LEU A 27 5.925 10.440 0.058 1.00 3.14 C ATOM 0 H LEU A 27 2.760 12.098 0.633 1.00 0.41 H new ATOM 0 HA LEU A 27 1.382 9.680 -0.220 1.00 0.12 H new ATOM 0 HB2 LEU A 27 3.622 8.676 0.097 1.00 25.41 H new ATOM 0 HB3 LEU A 27 3.638 10.052 -0.988 1.00 25.41 H new ATOM 0 HG LEU A 27 4.354 11.412 1.122 1.00 11.25 H new ATOM 0 HD11 LEU A 27 5.661 10.086 2.734 1.00 1.34 H new ATOM 0 HD12 LEU A 27 3.939 9.641 2.756 1.00 1.34 H new ATOM 0 HD13 LEU A 27 5.119 8.591 1.937 1.00 1.34 H new ATOM 0 HD21 LEU A 27 6.717 10.892 0.656 1.00 3.14 H new ATOM 0 HD22 LEU A 27 6.216 9.428 -0.224 1.00 3.14 H new ATOM 0 HD23 LEU A 27 5.764 11.035 -0.841 1.00 3.14 H new ATOM 403 N ARG A 28 1.580 8.236 1.929 1.00 70.23 N ATOM 404 CA ARG A 28 1.298 7.565 3.192 1.00 21.11 C ATOM 405 C ARG A 28 2.498 7.647 4.131 1.00 64.54 C ATOM 406 O ARG A 28 2.374 8.070 5.280 1.00 4.23 O ATOM 407 CB ARG A 28 0.929 6.101 2.945 1.00 13.03 C ATOM 408 CG ARG A 28 -0.380 5.685 3.597 1.00 25.35 C ATOM 409 CD ARG A 28 -0.139 4.840 4.839 1.00 71.01 C ATOM 410 NE ARG A 28 -1.155 5.070 5.863 1.00 70.15 N ATOM 411 CZ ARG A 28 -1.280 4.324 6.954 1.00 33.43 C ATOM 412 NH1 ARG A 28 -0.457 3.305 7.163 1.00 15.22 N ATOM 413 NH2 ARG A 28 -2.230 4.596 7.840 1.00 31.21 N ATOM 0 H ARG A 28 1.587 7.620 1.116 1.00 70.23 H new ATOM 0 HA ARG A 28 0.455 8.071 3.663 1.00 21.11 H new ATOM 0 HB2 ARG A 28 0.861 5.928 1.871 1.00 13.03 H new ATOM 0 HB3 ARG A 28 1.730 5.465 3.320 1.00 13.03 H new ATOM 0 HG2 ARG A 28 -0.953 6.573 3.865 1.00 25.35 H new ATOM 0 HG3 ARG A 28 -0.981 5.122 2.883 1.00 25.35 H new ATOM 0 HD2 ARG A 28 -0.133 3.785 4.564 1.00 71.01 H new ATOM 0 HD3 ARG A 28 0.845 5.068 5.247 1.00 71.01 H new ATOM 0 HE ARG A 28 -1.804 5.846 5.733 1.00 70.15 H new ATOM 0 HH11 ARG A 28 0.274 3.093 6.485 1.00 15.22 H new ATOM 0 HH12 ARG A 28 -0.556 2.734 8.002 1.00 15.22 H new ATOM 0 HH21 ARG A 28 -2.865 5.379 7.683 1.00 31.21 H new ATOM 0 HH22 ARG A 28 -2.325 4.022 8.678 1.00 31.21 H new ATOM 427 N THR A 29 3.661 7.237 3.633 1.00 44.31 N ATOM 428 CA THR A 29 4.884 7.262 4.426 1.00 15.35 C ATOM 429 C THR A 29 6.115 7.093 3.545 1.00 63.05 C ATOM 430 O THR A 29 6.052 6.468 2.485 1.00 11.45 O ATOM 431 CB THR A 29 4.879 6.158 5.500 1.00 70.40 C ATOM 432 OG1 THR A 29 4.037 5.076 5.086 1.00 32.12 O ATOM 433 CG2 THR A 29 4.394 6.702 6.835 1.00 3.40 C ATOM 0 H THR A 29 3.781 6.884 2.684 1.00 44.31 H new ATOM 0 HA THR A 29 4.923 8.235 4.916 1.00 15.35 H new ATOM 0 HB THR A 29 5.900 5.797 5.623 1.00 70.40 H new ATOM 0 HG1 THR A 29 4.040 4.377 5.773 1.00 32.12 H new ATOM 0 HG21 THR A 29 4.399 5.903 7.577 1.00 3.40 H new ATOM 0 HG22 THR A 29 5.054 7.506 7.162 1.00 3.40 H new ATOM 0 HG23 THR A 29 3.380 7.087 6.724 1.00 3.40 H new ATOM 441 N VAL A 30 7.236 7.653 3.988 1.00 65.30 N ATOM 442 CA VAL A 30 8.484 7.562 3.239 1.00 23.13 C ATOM 443 C VAL A 30 9.478 6.639 3.937 1.00 53.52 C ATOM 444 O VAL A 30 9.463 6.507 5.161 1.00 63.04 O ATOM 445 CB VAL A 30 9.130 8.948 3.054 1.00 21.14 C ATOM 446 CG1 VAL A 30 9.549 9.526 4.398 1.00 74.32 C ATOM 447 CG2 VAL A 30 10.319 8.860 2.109 1.00 34.31 C ATOM 0 H VAL A 30 7.306 8.175 4.862 1.00 65.30 H new ATOM 0 HA VAL A 30 8.236 7.151 2.260 1.00 23.13 H new ATOM 0 HB VAL A 30 8.392 9.617 2.612 1.00 21.14 H new ATOM 0 HG11 VAL A 30 10.003 10.505 4.247 1.00 74.32 H new ATOM 0 HG12 VAL A 30 8.674 9.627 5.039 1.00 74.32 H new ATOM 0 HG13 VAL A 30 10.271 8.860 4.871 1.00 74.32 H new ATOM 0 HG21 VAL A 30 10.763 9.848 1.990 1.00 34.31 H new ATOM 0 HG22 VAL A 30 11.061 8.176 2.521 1.00 34.31 H new ATOM 0 HG23 VAL A 30 9.986 8.493 1.138 1.00 34.31 H new ATOM 457 N TRP A 31 10.339 6.005 3.150 1.00 23.45 N ATOM 458 CA TRP A 31 11.341 5.094 3.693 1.00 2.00 C ATOM 459 C TRP A 31 12.633 5.163 2.886 1.00 21.02 C ATOM 460 O TRP A 31 12.607 5.363 1.672 1.00 52.54 O ATOM 461 CB TRP A 31 10.807 3.661 3.701 1.00 14.05 C ATOM 462 CG TRP A 31 11.247 2.870 4.896 1.00 73.21 C ATOM 463 CD1 TRP A 31 10.831 3.034 6.186 1.00 2.44 C ATOM 464 CD2 TRP A 31 12.189 1.792 4.910 1.00 33.20 C ATOM 465 NE1 TRP A 31 11.458 2.124 7.002 1.00 62.50 N ATOM 466 CE2 TRP A 31 12.295 1.349 6.243 1.00 3.11 C ATOM 467 CE3 TRP A 31 12.951 1.156 3.926 1.00 32.14 C ATOM 468 CZ2 TRP A 31 13.134 0.302 6.614 1.00 21.35 C ATOM 469 CZ3 TRP A 31 13.783 0.117 4.297 1.00 70.34 C ATOM 470 CH2 TRP A 31 13.869 -0.303 5.631 1.00 52.41 C ATOM 0 H TRP A 31 10.364 6.104 2.135 1.00 23.45 H new ATOM 0 HA TRP A 31 11.557 5.400 4.717 1.00 2.00 H new ATOM 0 HB2 TRP A 31 9.718 3.687 3.672 1.00 14.05 H new ATOM 0 HB3 TRP A 31 11.138 3.152 2.796 1.00 14.05 H new ATOM 0 HD1 TRP A 31 10.114 3.771 6.516 1.00 2.44 H new ATOM 0 HE1 TRP A 31 11.322 2.039 8.009 1.00 62.50 H new ATOM 0 HE3 TRP A 31 12.891 1.471 2.895 1.00 32.14 H new ATOM 0 HZ2 TRP A 31 13.202 -0.022 7.642 1.00 21.35 H new ATOM 0 HZ3 TRP A 31 14.378 -0.380 3.545 1.00 70.34 H new ATOM 0 HH2 TRP A 31 14.528 -1.119 5.888 1.00 52.41 H new ATOM 481 N ILE A 32 13.761 4.996 3.568 1.00 21.42 N ATOM 482 CA ILE A 32 15.063 5.038 2.913 1.00 34.22 C ATOM 483 C ILE A 32 15.905 3.822 3.285 1.00 53.11 C ATOM 484 O ILE A 32 15.904 3.381 4.434 1.00 54.31 O ATOM 485 CB ILE A 32 15.837 6.317 3.282 1.00 62.13 C ATOM 486 CG1 ILE A 32 15.267 7.520 2.527 1.00 20.33 C ATOM 487 CG2 ILE A 32 17.318 6.146 2.976 1.00 53.21 C ATOM 488 CD1 ILE A 32 15.792 7.651 1.115 1.00 41.32 C ATOM 0 H ILE A 32 13.800 4.830 4.574 1.00 21.42 H new ATOM 0 HA ILE A 32 14.877 5.033 1.839 1.00 34.22 H new ATOM 0 HB ILE A 32 15.725 6.497 4.351 1.00 62.13 H new ATOM 0 HG12 ILE A 32 14.181 7.438 2.496 1.00 20.33 H new ATOM 0 HG13 ILE A 32 15.502 8.430 3.079 1.00 20.33 H new ATOM 0 HG21 ILE A 32 17.852 7.058 3.242 1.00 53.21 H new ATOM 0 HG22 ILE A 32 17.715 5.311 3.554 1.00 53.21 H new ATOM 0 HG23 ILE A 32 17.449 5.946 1.913 1.00 53.21 H new ATOM 0 HD11 ILE A 32 15.345 8.525 0.640 1.00 41.32 H new ATOM 0 HD12 ILE A 32 16.876 7.765 1.139 1.00 41.32 H new ATOM 0 HD13 ILE A 32 15.534 6.758 0.546 1.00 41.32 H new ATOM 500 N ALA A 33 16.624 3.286 2.305 1.00 64.41 N ATOM 501 CA ALA A 33 17.475 2.123 2.530 1.00 54.14 C ATOM 502 C ALA A 33 18.948 2.515 2.545 1.00 41.43 C ATOM 503 O ALA A 33 19.541 2.779 1.498 1.00 14.43 O ATOM 504 CB ALA A 33 17.218 1.068 1.464 1.00 62.20 C ATOM 0 H ALA A 33 16.635 3.638 1.348 1.00 64.41 H new ATOM 0 HA ALA A 33 17.228 1.706 3.506 1.00 54.14 H new ATOM 0 HB1 ALA A 33 17.860 0.205 1.644 1.00 62.20 H new ATOM 0 HB2 ALA A 33 16.174 0.758 1.503 1.00 62.20 H new ATOM 0 HB3 ALA A 33 17.436 1.484 0.480 1.00 62.20 H new ATOM 510 N ARG A 34 19.534 2.552 3.737 1.00 13.31 N ATOM 511 CA ARG A 34 20.938 2.914 3.888 1.00 51.41 C ATOM 512 C ARG A 34 21.843 1.736 3.541 1.00 45.55 C ATOM 513 O ARG A 34 22.973 1.921 3.090 1.00 41.31 O ATOM 514 CB ARG A 34 21.216 3.381 5.318 1.00 34.42 C ATOM 515 CG ARG A 34 22.331 4.409 5.418 1.00 73.30 C ATOM 516 CD ARG A 34 22.716 4.674 6.865 1.00 71.01 C ATOM 517 NE ARG A 34 21.698 5.450 7.569 1.00 63.31 N ATOM 518 CZ ARG A 34 21.904 6.039 8.741 1.00 10.04 C ATOM 519 NH1 ARG A 34 23.084 5.942 9.338 1.00 20.10 N ATOM 520 NH2 ARG A 34 20.928 6.728 9.319 1.00 22.24 N ATOM 0 H ARG A 34 19.058 2.336 4.613 1.00 13.31 H new ATOM 0 HA ARG A 34 21.153 3.731 3.199 1.00 51.41 H new ATOM 0 HB2 ARG A 34 20.303 3.806 5.736 1.00 34.42 H new ATOM 0 HB3 ARG A 34 21.475 2.517 5.930 1.00 34.42 H new ATOM 0 HG2 ARG A 34 23.203 4.056 4.867 1.00 73.30 H new ATOM 0 HG3 ARG A 34 22.012 5.340 4.949 1.00 73.30 H new ATOM 0 HD2 ARG A 34 22.868 3.725 7.379 1.00 71.01 H new ATOM 0 HD3 ARG A 34 23.665 5.209 6.895 1.00 71.01 H new ATOM 0 HE ARG A 34 20.779 5.544 7.137 1.00 63.31 H new ATOM 0 HH11 ARG A 34 23.837 5.414 8.897 1.00 20.10 H new ATOM 0 HH12 ARG A 34 23.239 6.396 10.238 1.00 20.10 H new ATOM 0 HH21 ARG A 34 20.019 6.805 8.863 1.00 22.24 H new ATOM 0 HH22 ARG A 34 21.087 7.180 10.219 1.00 22.24 H new ATOM 534 N ASN A 35 21.339 0.526 3.754 1.00 32.42 N ATOM 535 CA ASN A 35 22.103 -0.683 3.465 1.00 54.32 C ATOM 536 C ASN A 35 22.738 -0.606 2.080 1.00 50.11 C ATOM 537 O ASN A 35 23.957 -0.676 1.924 1.00 23.22 O ATOM 538 CB ASN A 35 21.201 -1.915 3.557 1.00 72.31 C ATOM 539 CG ASN A 35 21.431 -2.706 4.831 1.00 55.25 C ATOM 540 OD1 ASN A 35 21.181 -2.216 5.932 1.00 50.20 O ATOM 541 ND2 ASN A 35 21.909 -3.936 4.685 1.00 71.01 N ATOM 0 H ASN A 35 20.405 0.355 4.126 1.00 32.42 H new ATOM 0 HA ASN A 35 22.898 -0.767 4.206 1.00 54.32 H new ATOM 0 HB2 ASN A 35 20.158 -1.603 3.510 1.00 72.31 H new ATOM 0 HB3 ASN A 35 21.380 -2.558 2.696 1.00 72.31 H new ATOM 0 HD21 ASN A 35 22.084 -4.516 5.506 1.00 71.01 H new ATOM 0 HD22 ASN A 35 22.102 -4.301 3.752 1.00 71.01 H new ATOM 548 N PRO A 36 21.893 -0.458 1.049 1.00 42.43 N ATOM 549 CA PRO A 36 22.349 -0.367 -0.342 1.00 2.25 C ATOM 550 C PRO A 36 23.082 0.940 -0.627 1.00 70.41 C ATOM 551 O PRO A 36 23.094 1.863 0.187 1.00 44.20 O ATOM 552 CB PRO A 36 21.049 -0.438 -1.147 1.00 2.34 C ATOM 553 CG PRO A 36 19.999 0.062 -0.216 1.00 3.45 C ATOM 554 CD PRO A 36 20.428 -0.367 1.161 1.00 53.45 C ATOM 0 HA PRO A 36 23.063 -1.153 -0.589 1.00 2.25 H new ATOM 0 HB2 PRO A 36 21.106 0.176 -2.046 1.00 2.34 H new ATOM 0 HB3 PRO A 36 20.839 -1.458 -1.470 1.00 2.34 H new ATOM 0 HG2 PRO A 36 19.908 1.147 -0.276 1.00 3.45 H new ATOM 0 HG3 PRO A 36 19.024 -0.354 -0.468 1.00 3.45 H new ATOM 0 HD2 PRO A 36 20.127 0.356 1.919 1.00 53.45 H new ATOM 0 HD3 PRO A 36 19.986 -1.324 1.440 1.00 53.45 H new ATOM 562 N PRO A 37 23.708 1.022 -1.811 1.00 33.44 N ATOM 563 CA PRO A 37 24.454 2.212 -2.231 1.00 34.50 C ATOM 564 C PRO A 37 23.539 3.396 -2.522 1.00 12.31 C ATOM 565 O PRO A 37 23.935 4.551 -2.371 1.00 4.04 O ATOM 566 CB PRO A 37 25.159 1.754 -3.510 1.00 4.20 C ATOM 567 CG PRO A 37 24.311 0.648 -4.036 1.00 4.02 C ATOM 568 CD PRO A 37 23.735 -0.041 -2.830 1.00 13.20 C ATOM 0 HA PRO A 37 25.134 2.563 -1.455 1.00 34.50 H new ATOM 0 HB2 PRO A 37 25.240 2.568 -4.231 1.00 4.20 H new ATOM 0 HB3 PRO A 37 26.172 1.411 -3.302 1.00 4.20 H new ATOM 0 HG2 PRO A 37 23.521 1.034 -4.679 1.00 4.02 H new ATOM 0 HG3 PRO A 37 24.901 -0.044 -4.637 1.00 4.02 H new ATOM 0 HD2 PRO A 37 22.737 -0.432 -3.029 1.00 13.20 H new ATOM 0 HD3 PRO A 37 24.351 -0.883 -2.516 1.00 13.20 H new ATOM 576 N GLY A 38 22.311 3.102 -2.940 1.00 44.01 N ATOM 577 CA GLY A 38 21.359 4.154 -3.245 1.00 45.11 C ATOM 578 C GLY A 38 19.992 3.611 -3.611 1.00 25.10 C ATOM 579 O GLY A 38 19.662 3.485 -4.790 1.00 73.12 O ATOM 0 H GLY A 38 21.959 2.154 -3.073 1.00 44.01 H new ATOM 0 HA2 GLY A 38 21.265 4.816 -2.384 1.00 45.11 H new ATOM 0 HA3 GLY A 38 21.740 4.756 -4.070 1.00 45.11 H new ATOM 583 N PHE A 39 19.196 3.286 -2.598 1.00 11.41 N ATOM 584 CA PHE A 39 17.858 2.751 -2.819 1.00 33.22 C ATOM 585 C PHE A 39 16.908 3.183 -1.706 1.00 1.45 C ATOM 586 O PHE A 39 17.260 3.150 -0.527 1.00 3.01 O ATOM 587 CB PHE A 39 17.904 1.224 -2.901 1.00 33.45 C ATOM 588 CG PHE A 39 18.220 0.706 -4.275 1.00 13.13 C ATOM 589 CD1 PHE A 39 17.327 0.884 -5.319 1.00 14.12 C ATOM 590 CD2 PHE A 39 19.410 0.041 -4.522 1.00 51.01 C ATOM 591 CE1 PHE A 39 17.614 0.409 -6.585 1.00 4.43 C ATOM 592 CE2 PHE A 39 19.703 -0.435 -5.786 1.00 23.42 C ATOM 593 CZ PHE A 39 18.804 -0.252 -6.818 1.00 61.20 C ATOM 0 H PHE A 39 19.454 3.384 -1.616 1.00 11.41 H new ATOM 0 HA PHE A 39 17.487 3.148 -3.764 1.00 33.22 H new ATOM 0 HB2 PHE A 39 18.652 0.853 -2.201 1.00 33.45 H new ATOM 0 HB3 PHE A 39 16.942 0.822 -2.582 1.00 33.45 H new ATOM 0 HD1 PHE A 39 16.395 1.400 -5.142 1.00 14.12 H new ATOM 0 HD2 PHE A 39 20.116 -0.107 -3.718 1.00 51.01 H new ATOM 0 HE1 PHE A 39 16.909 0.554 -7.390 1.00 4.43 H new ATOM 0 HE2 PHE A 39 20.635 -0.950 -5.967 1.00 23.42 H new ATOM 0 HZ PHE A 39 19.031 -0.625 -7.806 1.00 61.20 H new ATOM 603 N ALA A 40 15.702 3.590 -2.089 1.00 64.02 N ATOM 604 CA ALA A 40 14.701 4.028 -1.125 1.00 21.14 C ATOM 605 C ALA A 40 13.313 3.526 -1.508 1.00 41.31 C ATOM 606 O ALA A 40 13.062 3.186 -2.665 1.00 4.44 O ATOM 607 CB ALA A 40 14.704 5.545 -1.013 1.00 51.43 C ATOM 0 H ALA A 40 15.395 3.625 -3.061 1.00 64.02 H new ATOM 0 HA ALA A 40 14.957 3.603 -0.154 1.00 21.14 H new ATOM 0 HB1 ALA A 40 13.951 5.858 -0.289 1.00 51.43 H new ATOM 0 HB2 ALA A 40 15.686 5.884 -0.684 1.00 51.43 H new ATOM 0 HB3 ALA A 40 14.476 5.982 -1.985 1.00 51.43 H new ATOM 613 N PHE A 41 12.414 3.482 -0.530 1.00 62.43 N ATOM 614 CA PHE A 41 11.051 3.019 -0.765 1.00 42.54 C ATOM 615 C PHE A 41 10.037 4.003 -0.190 1.00 34.14 C ATOM 616 O PHE A 41 10.284 4.638 0.836 1.00 55.34 O ATOM 617 CB PHE A 41 10.845 1.636 -0.146 1.00 24.41 C ATOM 618 CG PHE A 41 11.704 0.569 -0.763 1.00 74.34 C ATOM 619 CD1 PHE A 41 13.016 0.394 -0.355 1.00 0.22 C ATOM 620 CD2 PHE A 41 11.198 -0.260 -1.752 1.00 12.11 C ATOM 621 CE1 PHE A 41 13.808 -0.586 -0.922 1.00 30.20 C ATOM 622 CE2 PHE A 41 11.985 -1.242 -2.323 1.00 30.45 C ATOM 623 CZ PHE A 41 13.292 -1.406 -1.906 1.00 75.31 C ATOM 0 H PHE A 41 12.605 3.761 0.432 1.00 62.43 H new ATOM 0 HA PHE A 41 10.897 2.953 -1.842 1.00 42.54 H new ATOM 0 HB2 PHE A 41 11.057 1.689 0.922 1.00 24.41 H new ATOM 0 HB3 PHE A 41 9.798 1.353 -0.249 1.00 24.41 H new ATOM 0 HD1 PHE A 41 13.425 1.031 0.415 1.00 0.22 H new ATOM 0 HD2 PHE A 41 10.176 -0.137 -2.080 1.00 12.11 H new ATOM 0 HE1 PHE A 41 14.830 -0.711 -0.596 1.00 30.20 H new ATOM 0 HE2 PHE A 41 11.579 -1.880 -3.094 1.00 30.45 H new ATOM 0 HZ PHE A 41 13.909 -2.174 -2.349 1.00 75.31 H new ATOM 633 N VAL A 42 8.893 4.123 -0.857 1.00 45.53 N ATOM 634 CA VAL A 42 7.840 5.029 -0.413 1.00 23.40 C ATOM 635 C VAL A 42 6.469 4.370 -0.519 1.00 42.51 C ATOM 636 O VAL A 42 6.235 3.540 -1.396 1.00 63.22 O ATOM 637 CB VAL A 42 7.837 6.332 -1.234 1.00 30.22 C ATOM 638 CG1 VAL A 42 6.755 7.276 -0.733 1.00 33.12 C ATOM 639 CG2 VAL A 42 9.204 6.998 -1.180 1.00 55.05 C ATOM 0 H VAL A 42 8.672 3.604 -1.707 1.00 45.53 H new ATOM 0 HA VAL A 42 8.046 5.268 0.630 1.00 23.40 H new ATOM 0 HB VAL A 42 7.618 6.086 -2.273 1.00 30.22 H new ATOM 0 HG11 VAL A 42 6.768 8.191 -1.325 1.00 33.12 H new ATOM 0 HG12 VAL A 42 5.781 6.796 -0.828 1.00 33.12 H new ATOM 0 HG13 VAL A 42 6.940 7.518 0.314 1.00 33.12 H new ATOM 0 HG21 VAL A 42 9.184 7.917 -1.765 1.00 55.05 H new ATOM 0 HG22 VAL A 42 9.454 7.232 -0.145 1.00 55.05 H new ATOM 0 HG23 VAL A 42 9.954 6.322 -1.591 1.00 55.05 H new ATOM 649 N GLU A 43 5.566 4.748 0.380 1.00 2.53 N ATOM 650 CA GLU A 43 4.218 4.194 0.387 1.00 15.03 C ATOM 651 C GLU A 43 3.181 5.281 0.116 1.00 21.33 C ATOM 652 O GLU A 43 3.118 6.285 0.826 1.00 32.31 O ATOM 653 CB GLU A 43 3.926 3.520 1.730 1.00 64.44 C ATOM 654 CG GLU A 43 4.687 2.221 1.936 1.00 62.43 C ATOM 655 CD GLU A 43 3.790 1.084 2.385 1.00 73.22 C ATOM 656 OE1 GLU A 43 2.844 0.745 1.643 1.00 1.11 O ATOM 657 OE2 GLU A 43 4.034 0.533 3.479 1.00 71.23 O ATOM 0 H GLU A 43 5.744 5.435 1.112 1.00 2.53 H new ATOM 0 HA GLU A 43 4.155 3.450 -0.407 1.00 15.03 H new ATOM 0 HB2 GLU A 43 4.177 4.210 2.536 1.00 64.44 H new ATOM 0 HB3 GLU A 43 2.857 3.321 1.802 1.00 64.44 H new ATOM 0 HG2 GLU A 43 5.182 1.943 1.005 1.00 62.43 H new ATOM 0 HG3 GLU A 43 5.469 2.377 2.679 1.00 62.43 H new ATOM 664 N PHE A 44 2.371 5.073 -0.916 1.00 75.20 N ATOM 665 CA PHE A 44 1.338 6.035 -1.283 1.00 34.42 C ATOM 666 C PHE A 44 -0.040 5.547 -0.844 1.00 11.01 C ATOM 667 O PHE A 44 -0.499 4.488 -1.270 1.00 54.12 O ATOM 668 CB PHE A 44 1.348 6.275 -2.794 1.00 3.11 C ATOM 669 CG PHE A 44 1.819 7.648 -3.179 1.00 2.51 C ATOM 670 CD1 PHE A 44 1.246 8.776 -2.613 1.00 32.20 C ATOM 671 CD2 PHE A 44 2.836 7.812 -4.106 1.00 55.12 C ATOM 672 CE1 PHE A 44 1.677 10.041 -2.966 1.00 73.52 C ATOM 673 CE2 PHE A 44 3.271 9.075 -4.463 1.00 70.51 C ATOM 674 CZ PHE A 44 2.691 10.190 -3.891 1.00 44.14 C ATOM 0 H PHE A 44 2.410 4.247 -1.513 1.00 75.20 H new ATOM 0 HA PHE A 44 1.552 6.973 -0.771 1.00 34.42 H new ATOM 0 HB2 PHE A 44 1.991 5.533 -3.268 1.00 3.11 H new ATOM 0 HB3 PHE A 44 0.342 6.122 -3.185 1.00 3.11 H new ATOM 0 HD1 PHE A 44 0.454 8.665 -1.888 1.00 32.20 H new ATOM 0 HD2 PHE A 44 3.294 6.943 -4.555 1.00 55.12 H new ATOM 0 HE1 PHE A 44 1.221 10.912 -2.519 1.00 73.52 H new ATOM 0 HE2 PHE A 44 4.063 9.189 -5.188 1.00 70.51 H new ATOM 0 HZ PHE A 44 3.030 11.178 -4.167 1.00 44.14 H new ATOM 684 N GLU A 45 -0.693 6.328 0.011 1.00 21.13 N ATOM 685 CA GLU A 45 -2.017 5.975 0.509 1.00 32.22 C ATOM 686 C GLU A 45 -2.994 5.764 -0.644 1.00 43.13 C ATOM 687 O GLU A 45 -3.940 4.984 -0.536 1.00 61.10 O ATOM 688 CB GLU A 45 -2.543 7.066 1.444 1.00 43.42 C ATOM 689 CG GLU A 45 -2.989 8.325 0.719 1.00 4.33 C ATOM 690 CD GLU A 45 -3.217 9.491 1.662 1.00 70.02 C ATOM 691 OE1 GLU A 45 -2.986 9.324 2.878 1.00 74.21 O ATOM 692 OE2 GLU A 45 -3.626 10.570 1.184 1.00 34.42 O ATOM 0 H GLU A 45 -0.327 7.209 0.373 1.00 21.13 H new ATOM 0 HA GLU A 45 -1.930 5.041 1.065 1.00 32.22 H new ATOM 0 HB2 GLU A 45 -3.382 6.669 2.016 1.00 43.42 H new ATOM 0 HB3 GLU A 45 -1.764 7.326 2.160 1.00 43.42 H new ATOM 0 HG2 GLU A 45 -2.236 8.601 -0.019 1.00 4.33 H new ATOM 0 HG3 GLU A 45 -3.910 8.119 0.173 1.00 4.33 H new ATOM 699 N ASP A 46 -2.757 6.466 -1.747 1.00 72.44 N ATOM 700 CA ASP A 46 -3.615 6.356 -2.922 1.00 23.12 C ATOM 701 C ASP A 46 -2.807 5.941 -4.148 1.00 2.34 C ATOM 702 O ASP A 46 -1.638 6.296 -4.300 1.00 41.33 O ATOM 703 CB ASP A 46 -4.323 7.685 -3.188 1.00 72.12 C ATOM 704 CG ASP A 46 -5.833 7.557 -3.136 1.00 60.45 C ATOM 705 OD1 ASP A 46 -6.360 7.175 -2.070 1.00 52.33 O ATOM 706 OD2 ASP A 46 -6.487 7.838 -4.162 1.00 14.32 O ATOM 0 H ASP A 46 -1.979 7.117 -1.852 1.00 72.44 H new ATOM 0 HA ASP A 46 -4.363 5.588 -2.725 1.00 23.12 H new ATOM 0 HB2 ASP A 46 -3.998 8.420 -2.452 1.00 72.12 H new ATOM 0 HB3 ASP A 46 -4.027 8.062 -4.167 1.00 72.12 H new ATOM 711 N PRO A 47 -3.442 5.171 -5.043 1.00 35.43 N ATOM 712 CA PRO A 47 -2.802 4.690 -6.271 1.00 3.45 C ATOM 713 C PRO A 47 -2.550 5.814 -7.270 1.00 64.35 C ATOM 714 O PRO A 47 -1.455 5.932 -7.822 1.00 14.40 O ATOM 715 CB PRO A 47 -3.816 3.692 -6.833 1.00 33.41 C ATOM 716 CG PRO A 47 -5.128 4.135 -6.284 1.00 33.32 C ATOM 717 CD PRO A 47 -4.836 4.709 -4.925 1.00 41.33 C ATOM 0 HA PRO A 47 -1.821 4.256 -6.077 1.00 3.45 H new ATOM 0 HB2 PRO A 47 -3.819 3.702 -7.923 1.00 33.41 H new ATOM 0 HB3 PRO A 47 -3.581 2.673 -6.525 1.00 33.41 H new ATOM 0 HG2 PRO A 47 -5.590 4.880 -6.931 1.00 33.32 H new ATOM 0 HG3 PRO A 47 -5.824 3.299 -6.213 1.00 33.32 H new ATOM 0 HD2 PRO A 47 -5.512 5.529 -4.681 1.00 41.33 H new ATOM 0 HD3 PRO A 47 -4.946 3.961 -4.140 1.00 41.33 H new ATOM 725 N ARG A 48 -3.568 6.636 -7.499 1.00 75.22 N ATOM 726 CA ARG A 48 -3.457 7.749 -8.434 1.00 2.34 C ATOM 727 C ARG A 48 -2.219 8.589 -8.133 1.00 64.13 C ATOM 728 O ARG A 48 -1.493 8.991 -9.043 1.00 72.33 O ATOM 729 CB ARG A 48 -4.709 8.626 -8.367 1.00 62.24 C ATOM 730 CG ARG A 48 -4.807 9.634 -9.501 1.00 74.50 C ATOM 731 CD ARG A 48 -6.250 10.038 -9.763 1.00 63.01 C ATOM 732 NE ARG A 48 -6.942 10.423 -8.536 1.00 3.00 N ATOM 733 CZ ARG A 48 -8.234 10.727 -8.485 1.00 61.44 C ATOM 734 NH1 ARG A 48 -8.971 10.690 -9.587 1.00 64.40 N ATOM 735 NH2 ARG A 48 -8.792 11.068 -7.331 1.00 22.43 N ATOM 0 H ARG A 48 -4.480 6.552 -7.050 1.00 75.22 H new ATOM 0 HA ARG A 48 -3.362 7.339 -9.439 1.00 2.34 H new ATOM 0 HB2 ARG A 48 -5.592 7.987 -8.383 1.00 62.24 H new ATOM 0 HB3 ARG A 48 -4.719 9.159 -7.416 1.00 62.24 H new ATOM 0 HG2 ARG A 48 -4.219 10.518 -9.255 1.00 74.50 H new ATOM 0 HG3 ARG A 48 -4.377 9.207 -10.407 1.00 74.50 H new ATOM 0 HD2 ARG A 48 -6.271 10.870 -10.467 1.00 63.01 H new ATOM 0 HD3 ARG A 48 -6.779 9.209 -10.233 1.00 63.01 H new ATOM 0 HE ARG A 48 -6.404 10.461 -7.671 1.00 3.00 H new ATOM 0 HH11 ARG A 48 -8.546 10.428 -10.476 1.00 64.40 H new ATOM 0 HH12 ARG A 48 -9.963 10.924 -9.545 1.00 64.40 H new ATOM 0 HH21 ARG A 48 -8.229 11.097 -6.481 1.00 22.43 H new ATOM 0 HH22 ARG A 48 -9.784 11.301 -7.294 1.00 22.43 H new ATOM 749 N ASP A 49 -1.984 8.850 -6.852 1.00 41.22 N ATOM 750 CA ASP A 49 -0.833 9.641 -6.431 1.00 54.45 C ATOM 751 C ASP A 49 0.471 8.948 -6.812 1.00 2.32 C ATOM 752 O ASP A 49 1.454 9.602 -7.162 1.00 35.31 O ATOM 753 CB ASP A 49 -0.877 9.881 -4.921 1.00 62.15 C ATOM 754 CG ASP A 49 -2.252 10.302 -4.441 1.00 62.04 C ATOM 755 OD1 ASP A 49 -3.012 10.875 -5.249 1.00 50.02 O ATOM 756 OD2 ASP A 49 -2.567 10.059 -3.257 1.00 53.34 O ATOM 0 H ASP A 49 -2.575 8.525 -6.087 1.00 41.22 H new ATOM 0 HA ASP A 49 -0.876 10.602 -6.944 1.00 54.45 H new ATOM 0 HB2 ASP A 49 -0.578 8.970 -4.403 1.00 62.15 H new ATOM 0 HB3 ASP A 49 -0.152 10.651 -4.657 1.00 62.15 H new ATOM 761 N ALA A 50 0.473 7.621 -6.739 1.00 43.34 N ATOM 762 CA ALA A 50 1.656 6.840 -7.077 1.00 24.42 C ATOM 763 C ALA A 50 1.880 6.806 -8.585 1.00 21.31 C ATOM 764 O ALA A 50 3.009 6.940 -9.057 1.00 34.03 O ATOM 765 CB ALA A 50 1.529 5.426 -6.528 1.00 42.12 C ATOM 0 H ALA A 50 -0.331 7.065 -6.449 1.00 43.34 H new ATOM 0 HA ALA A 50 2.521 7.320 -6.619 1.00 24.42 H new ATOM 0 HB1 ALA A 50 2.419 4.854 -6.788 1.00 42.12 H new ATOM 0 HB2 ALA A 50 1.426 5.465 -5.444 1.00 42.12 H new ATOM 0 HB3 ALA A 50 0.651 4.946 -6.959 1.00 42.12 H new ATOM 771 N GLU A 51 0.798 6.625 -9.335 1.00 72.52 N ATOM 772 CA GLU A 51 0.878 6.571 -10.790 1.00 40.52 C ATOM 773 C GLU A 51 1.428 7.879 -11.353 1.00 23.12 C ATOM 774 O GLU A 51 2.326 7.876 -12.195 1.00 25.52 O ATOM 775 CB GLU A 51 -0.501 6.286 -11.389 1.00 42.02 C ATOM 776 CG GLU A 51 -0.938 4.838 -11.247 1.00 32.11 C ATOM 777 CD GLU A 51 -2.446 4.679 -11.273 1.00 21.42 C ATOM 778 OE1 GLU A 51 -3.059 4.994 -12.314 1.00 64.31 O ATOM 779 OE2 GLU A 51 -3.013 4.238 -10.251 1.00 1.32 O ATOM 0 H GLU A 51 -0.144 6.513 -8.960 1.00 72.52 H new ATOM 0 HA GLU A 51 1.558 5.763 -11.061 1.00 40.52 H new ATOM 0 HB2 GLU A 51 -1.238 6.928 -10.906 1.00 42.02 H new ATOM 0 HB3 GLU A 51 -0.491 6.552 -12.446 1.00 42.02 H new ATOM 0 HG2 GLU A 51 -0.500 4.249 -12.053 1.00 32.11 H new ATOM 0 HG3 GLU A 51 -0.550 4.435 -10.311 1.00 32.11 H new ATOM 786 N ASP A 52 0.882 8.995 -10.882 1.00 24.31 N ATOM 787 CA ASP A 52 1.318 10.310 -11.337 1.00 10.03 C ATOM 788 C ASP A 52 2.730 10.614 -10.846 1.00 41.54 C ATOM 789 O ASP A 52 3.609 10.964 -11.633 1.00 61.15 O ATOM 790 CB ASP A 52 0.351 11.389 -10.847 1.00 31.25 C ATOM 791 CG ASP A 52 -0.770 11.653 -11.832 1.00 72.44 C ATOM 792 OD1 ASP A 52 -0.501 12.265 -12.887 1.00 23.33 O ATOM 793 OD2 ASP A 52 -1.917 11.248 -11.549 1.00 74.32 O ATOM 0 H ASP A 52 0.137 9.015 -10.186 1.00 24.31 H new ATOM 0 HA ASP A 52 1.324 10.307 -12.427 1.00 10.03 H new ATOM 0 HB2 ASP A 52 -0.074 11.084 -9.891 1.00 31.25 H new ATOM 0 HB3 ASP A 52 0.901 12.313 -10.671 1.00 31.25 H new ATOM 798 N ALA A 53 2.939 10.480 -9.541 1.00 5.21 N ATOM 799 CA ALA A 53 4.244 10.740 -8.946 1.00 25.12 C ATOM 800 C ALA A 53 5.335 9.932 -9.640 1.00 62.53 C ATOM 801 O ALA A 53 6.320 10.488 -10.127 1.00 31.24 O ATOM 802 CB ALA A 53 4.218 10.425 -7.457 1.00 60.05 C ATOM 0 H ALA A 53 2.221 10.193 -8.875 1.00 5.21 H new ATOM 0 HA ALA A 53 4.471 11.798 -9.079 1.00 25.12 H new ATOM 0 HB1 ALA A 53 5.199 10.624 -7.026 1.00 60.05 H new ATOM 0 HB2 ALA A 53 3.472 11.050 -6.966 1.00 60.05 H new ATOM 0 HB3 ALA A 53 3.964 9.375 -7.312 1.00 60.05 H new ATOM 808 N VAL A 54 5.154 8.615 -9.683 1.00 13.45 N ATOM 809 CA VAL A 54 6.122 7.730 -10.318 1.00 4.11 C ATOM 810 C VAL A 54 6.335 8.107 -11.780 1.00 20.12 C ATOM 811 O VAL A 54 7.469 8.259 -12.234 1.00 23.04 O ATOM 812 CB VAL A 54 5.675 6.259 -10.238 1.00 74.44 C ATOM 813 CG1 VAL A 54 6.593 5.375 -11.069 1.00 2.13 C ATOM 814 CG2 VAL A 54 5.637 5.791 -8.791 1.00 54.23 C ATOM 0 H VAL A 54 4.345 8.138 -9.285 1.00 13.45 H new ATOM 0 HA VAL A 54 7.060 7.846 -9.776 1.00 4.11 H new ATOM 0 HB VAL A 54 4.668 6.182 -10.647 1.00 74.44 H new ATOM 0 HG11 VAL A 54 6.261 4.339 -11.000 1.00 2.13 H new ATOM 0 HG12 VAL A 54 6.564 5.697 -12.110 1.00 2.13 H new ATOM 0 HG13 VAL A 54 7.613 5.455 -10.693 1.00 2.13 H new ATOM 0 HG21 VAL A 54 5.319 4.749 -8.754 1.00 54.23 H new ATOM 0 HG22 VAL A 54 6.631 5.883 -8.353 1.00 54.23 H new ATOM 0 HG23 VAL A 54 4.934 6.405 -8.228 1.00 54.23 H new ATOM 824 N ARG A 55 5.236 8.257 -12.512 1.00 63.33 N ATOM 825 CA ARG A 55 5.302 8.615 -13.924 1.00 2.31 C ATOM 826 C ARG A 55 6.134 9.879 -14.126 1.00 31.43 C ATOM 827 O ARG A 55 6.856 10.007 -15.113 1.00 44.31 O ATOM 828 CB ARG A 55 3.894 8.824 -14.485 1.00 64.43 C ATOM 829 CG ARG A 55 3.217 7.536 -14.925 1.00 64.31 C ATOM 830 CD ARG A 55 1.735 7.747 -15.187 1.00 54.34 C ATOM 831 NE ARG A 55 1.181 6.718 -16.063 1.00 21.43 N ATOM 832 CZ ARG A 55 1.421 6.656 -17.368 1.00 31.22 C ATOM 833 NH1 ARG A 55 2.200 7.559 -17.945 1.00 45.45 N ATOM 834 NH2 ARG A 55 0.881 5.688 -18.098 1.00 12.23 N ATOM 0 H ARG A 55 4.290 8.136 -12.151 1.00 63.33 H new ATOM 0 HA ARG A 55 5.781 7.795 -14.459 1.00 2.31 H new ATOM 0 HB2 ARG A 55 3.278 9.308 -13.727 1.00 64.43 H new ATOM 0 HB3 ARG A 55 3.948 9.505 -15.334 1.00 64.43 H new ATOM 0 HG2 ARG A 55 3.698 7.162 -15.829 1.00 64.31 H new ATOM 0 HG3 ARG A 55 3.347 6.774 -14.156 1.00 64.31 H new ATOM 0 HD2 ARG A 55 1.196 7.745 -14.240 1.00 54.34 H new ATOM 0 HD3 ARG A 55 1.583 8.727 -15.638 1.00 54.34 H new ATOM 0 HE ARG A 55 0.576 6.008 -15.650 1.00 21.43 H new ATOM 0 HH11 ARG A 55 2.617 8.304 -17.387 1.00 45.45 H new ATOM 0 HH12 ARG A 55 2.383 7.509 -18.947 1.00 45.45 H new ATOM 0 HH21 ARG A 55 0.281 4.991 -17.657 1.00 12.23 H new ATOM 0 HH22 ARG A 55 1.066 5.641 -19.100 1.00 12.23 H new ATOM 848 N GLY A 56 6.026 10.809 -13.182 1.00 54.43 N ATOM 849 CA GLY A 56 6.772 12.050 -13.275 1.00 43.34 C ATOM 850 C GLY A 56 8.225 11.884 -12.877 1.00 2.03 C ATOM 851 O GLY A 56 9.126 12.053 -13.700 1.00 0.33 O ATOM 0 H GLY A 56 5.435 10.725 -12.355 1.00 54.43 H new ATOM 0 HA2 GLY A 56 6.719 12.426 -14.297 1.00 43.34 H new ATOM 0 HA3 GLY A 56 6.306 12.799 -12.635 1.00 43.34 H new ATOM 855 N LEU A 57 8.455 11.553 -11.611 1.00 5.31 N ATOM 856 CA LEU A 57 9.810 11.366 -11.103 1.00 62.45 C ATOM 857 C LEU A 57 10.605 10.429 -12.007 1.00 64.23 C ATOM 858 O LEU A 57 11.775 10.677 -12.300 1.00 1.10 O ATOM 859 CB LEU A 57 9.770 10.807 -9.680 1.00 31.10 C ATOM 860 CG LEU A 57 9.580 11.832 -8.562 1.00 15.33 C ATOM 861 CD1 LEU A 57 8.272 12.587 -8.746 1.00 43.04 C ATOM 862 CD2 LEU A 57 9.617 11.151 -7.202 1.00 34.05 C ATOM 0 H LEU A 57 7.721 11.409 -10.918 1.00 5.31 H new ATOM 0 HA LEU A 57 10.305 12.337 -11.091 1.00 62.45 H new ATOM 0 HB2 LEU A 57 8.961 10.079 -9.620 1.00 31.10 H new ATOM 0 HB3 LEU A 57 10.699 10.267 -9.497 1.00 31.10 H new ATOM 0 HG LEU A 57 10.400 12.549 -8.610 1.00 15.33 H new ATOM 0 HD11 LEU A 57 8.154 13.312 -7.941 1.00 43.04 H new ATOM 0 HD12 LEU A 57 8.284 13.107 -9.704 1.00 43.04 H new ATOM 0 HD13 LEU A 57 7.440 11.883 -8.725 1.00 43.04 H new ATOM 0 HD21 LEU A 57 9.480 11.896 -6.418 1.00 34.05 H new ATOM 0 HD22 LEU A 57 8.818 10.412 -7.143 1.00 34.05 H new ATOM 0 HD23 LEU A 57 10.579 10.657 -7.069 1.00 34.05 H new ATOM 874 N ASP A 58 9.962 9.353 -12.448 1.00 2.13 N ATOM 875 CA ASP A 58 10.608 8.380 -13.321 1.00 41.43 C ATOM 876 C ASP A 58 10.633 8.877 -14.763 1.00 51.54 C ATOM 877 O ASP A 58 11.612 8.680 -15.482 1.00 73.10 O ATOM 878 CB ASP A 58 9.885 7.035 -13.245 1.00 33.01 C ATOM 879 CG ASP A 58 10.668 5.918 -13.906 1.00 2.01 C ATOM 880 OD1 ASP A 58 11.893 5.834 -13.675 1.00 12.35 O ATOM 881 OD2 ASP A 58 10.057 5.127 -14.654 1.00 13.11 O ATOM 0 H ASP A 58 8.994 9.133 -12.215 1.00 2.13 H new ATOM 0 HA ASP A 58 11.636 8.250 -12.982 1.00 41.43 H new ATOM 0 HB2 ASP A 58 9.706 6.780 -12.200 1.00 33.01 H new ATOM 0 HB3 ASP A 58 8.909 7.123 -13.723 1.00 33.01 H new ATOM 886 N GLY A 59 9.548 9.523 -15.180 1.00 51.24 N ATOM 887 CA GLY A 59 9.465 10.037 -16.535 1.00 44.21 C ATOM 888 C GLY A 59 10.660 10.894 -16.904 1.00 65.50 C ATOM 889 O GLY A 59 11.292 10.679 -17.939 1.00 23.13 O ATOM 0 H GLY A 59 8.725 9.700 -14.604 1.00 51.24 H new ATOM 0 HA2 GLY A 59 9.391 9.203 -17.233 1.00 44.21 H new ATOM 0 HA3 GLY A 59 8.553 10.625 -16.642 1.00 44.21 H new ATOM 893 N LYS A 60 10.972 11.869 -16.057 1.00 34.21 N ATOM 894 CA LYS A 60 12.099 12.762 -16.298 1.00 75.02 C ATOM 895 C LYS A 60 12.880 13.012 -15.012 1.00 70.43 C ATOM 896 O LYS A 60 12.824 12.215 -14.075 1.00 54.22 O ATOM 897 CB LYS A 60 11.608 14.092 -16.875 1.00 75.54 C ATOM 898 CG LYS A 60 12.466 14.614 -18.014 1.00 1.40 C ATOM 899 CD LYS A 60 12.882 16.057 -17.782 1.00 13.42 C ATOM 900 CE LYS A 60 12.891 16.851 -19.080 1.00 33.44 C ATOM 901 NZ LYS A 60 11.558 17.447 -19.375 1.00 23.35 N ATOM 0 H LYS A 60 10.459 12.061 -15.196 1.00 34.21 H new ATOM 0 HA LYS A 60 12.762 12.283 -17.018 1.00 75.02 H new ATOM 0 HB2 LYS A 60 10.584 13.969 -17.229 1.00 75.54 H new ATOM 0 HB3 LYS A 60 11.583 14.837 -16.079 1.00 75.54 H new ATOM 0 HG2 LYS A 60 13.354 13.990 -18.117 1.00 1.40 H new ATOM 0 HG3 LYS A 60 11.914 14.540 -18.951 1.00 1.40 H new ATOM 0 HD2 LYS A 60 12.198 16.524 -17.073 1.00 13.42 H new ATOM 0 HD3 LYS A 60 13.874 16.083 -17.332 1.00 13.42 H new ATOM 0 HE2 LYS A 60 13.637 17.643 -19.016 1.00 33.44 H new ATOM 0 HE3 LYS A 60 13.188 16.200 -19.902 1.00 33.44 H new ATOM 0 HZ1 LYS A 60 11.606 17.980 -20.267 1.00 23.35 H new ATOM 0 HZ2 LYS A 60 10.851 16.690 -19.461 1.00 23.35 H new ATOM 0 HZ3 LYS A 60 11.286 18.088 -18.603 1.00 23.35 H new ATOM 915 N VAL A 61 13.608 14.123 -14.974 1.00 10.13 N ATOM 916 CA VAL A 61 14.399 14.479 -13.802 1.00 33.14 C ATOM 917 C VAL A 61 13.646 15.458 -12.908 1.00 2.14 C ATOM 918 O VAL A 61 12.935 16.338 -13.394 1.00 60.32 O ATOM 919 CB VAL A 61 15.749 15.101 -14.203 1.00 42.23 C ATOM 920 CG1 VAL A 61 16.478 14.204 -15.192 1.00 32.20 C ATOM 921 CG2 VAL A 61 15.543 16.492 -14.785 1.00 34.32 C ATOM 0 H VAL A 61 13.667 14.792 -15.741 1.00 10.13 H new ATOM 0 HA VAL A 61 14.583 13.556 -13.252 1.00 33.14 H new ATOM 0 HB VAL A 61 16.366 15.193 -13.309 1.00 42.23 H new ATOM 0 HG11 VAL A 61 17.430 14.660 -15.464 1.00 32.20 H new ATOM 0 HG12 VAL A 61 16.659 13.231 -14.736 1.00 32.20 H new ATOM 0 HG13 VAL A 61 15.868 14.077 -16.086 1.00 32.20 H new ATOM 0 HG21 VAL A 61 16.508 16.917 -15.063 1.00 34.32 H new ATOM 0 HG22 VAL A 61 14.907 16.426 -15.668 1.00 34.32 H new ATOM 0 HG23 VAL A 61 15.066 17.131 -14.041 1.00 34.32 H new ATOM 931 N ILE A 62 13.808 15.300 -11.598 1.00 62.34 N ATOM 932 CA ILE A 62 13.145 16.171 -10.636 1.00 43.22 C ATOM 933 C ILE A 62 14.113 17.207 -10.074 1.00 65.42 C ATOM 934 O ILE A 62 14.837 16.938 -9.114 1.00 14.41 O ATOM 935 CB ILE A 62 12.539 15.366 -9.471 1.00 65.05 C ATOM 936 CG1 ILE A 62 12.021 16.310 -8.385 1.00 42.50 C ATOM 937 CG2 ILE A 62 13.571 14.406 -8.898 1.00 61.13 C ATOM 938 CD1 ILE A 62 11.016 17.321 -8.892 1.00 44.20 C ATOM 0 H ILE A 62 14.393 14.577 -11.179 1.00 62.34 H new ATOM 0 HA ILE A 62 12.343 16.679 -11.171 1.00 43.22 H new ATOM 0 HB ILE A 62 11.699 14.783 -9.849 1.00 65.05 H new ATOM 0 HG12 ILE A 62 11.562 15.721 -7.591 1.00 42.50 H new ATOM 0 HG13 ILE A 62 12.865 16.839 -7.942 1.00 42.50 H new ATOM 0 HG21 ILE A 62 13.128 13.844 -8.076 1.00 61.13 H new ATOM 0 HG22 ILE A 62 13.897 13.715 -9.676 1.00 61.13 H new ATOM 0 HG23 ILE A 62 14.429 14.970 -8.532 1.00 61.13 H new ATOM 0 HD11 ILE A 62 10.692 17.957 -8.068 1.00 44.20 H new ATOM 0 HD12 ILE A 62 11.477 17.936 -9.665 1.00 44.20 H new ATOM 0 HD13 ILE A 62 10.154 16.800 -9.309 1.00 44.20 H new ATOM 950 N CYS A 63 14.121 18.390 -10.677 1.00 53.13 N ATOM 951 CA CYS A 63 15.000 19.468 -10.236 1.00 75.44 C ATOM 952 C CYS A 63 16.464 19.081 -10.413 1.00 24.14 C ATOM 953 O CYS A 63 17.322 19.482 -9.627 1.00 52.40 O ATOM 954 CB CYS A 63 14.723 19.812 -8.772 1.00 40.43 C ATOM 955 SG CYS A 63 14.781 21.582 -8.407 1.00 43.31 S ATOM 0 H CYS A 63 13.529 18.628 -11.473 1.00 53.13 H new ATOM 0 HA CYS A 63 14.798 20.345 -10.852 1.00 75.44 H new ATOM 0 HB2 CYS A 63 13.740 19.427 -8.499 1.00 40.43 H new ATOM 0 HB3 CYS A 63 15.452 19.298 -8.145 1.00 40.43 H new ATOM 0 HG CYS A 63 14.532 21.773 -7.145 1.00 43.31 H new ATOM 961 N GLY A 64 16.744 18.297 -11.449 1.00 74.53 N ATOM 962 CA GLY A 64 18.105 17.867 -11.709 1.00 23.11 C ATOM 963 C GLY A 64 18.435 16.548 -11.038 1.00 1.42 C ATOM 964 O GLY A 64 19.603 16.238 -10.804 1.00 41.21 O ATOM 0 H GLY A 64 16.052 17.952 -12.114 1.00 74.53 H new ATOM 0 HA2 GLY A 64 18.253 17.771 -12.785 1.00 23.11 H new ATOM 0 HA3 GLY A 64 18.798 18.632 -11.359 1.00 23.11 H new ATOM 968 N SER A 65 17.403 15.771 -10.725 1.00 64.34 N ATOM 969 CA SER A 65 17.589 14.481 -10.072 1.00 30.53 C ATOM 970 C SER A 65 16.876 13.373 -10.843 1.00 3.54 C ATOM 971 O SER A 65 15.690 13.119 -10.631 1.00 44.33 O ATOM 972 CB SER A 65 17.068 14.534 -8.634 1.00 72.53 C ATOM 973 OG SER A 65 16.584 13.267 -8.220 1.00 45.51 O ATOM 0 H SER A 65 16.430 16.012 -10.913 1.00 64.34 H new ATOM 0 HA SER A 65 18.656 14.260 -10.057 1.00 30.53 H new ATOM 0 HB2 SER A 65 17.866 14.858 -7.966 1.00 72.53 H new ATOM 0 HB3 SER A 65 16.271 15.273 -8.560 1.00 72.53 H new ATOM 0 HG SER A 65 15.845 12.993 -8.803 1.00 45.51 H new ATOM 979 N ARG A 66 17.609 12.718 -11.737 1.00 53.34 N ATOM 980 CA ARG A 66 17.048 11.639 -12.541 1.00 54.34 C ATOM 981 C ARG A 66 17.042 10.327 -11.762 1.00 40.24 C ATOM 982 O ARG A 66 17.592 9.322 -12.214 1.00 54.52 O ATOM 983 CB ARG A 66 17.844 11.472 -13.837 1.00 2.43 C ATOM 984 CG ARG A 66 17.053 10.821 -14.959 1.00 14.01 C ATOM 985 CD ARG A 66 17.464 11.364 -16.319 1.00 32.14 C ATOM 986 NE ARG A 66 17.981 10.315 -17.193 1.00 75.23 N ATOM 987 CZ ARG A 66 18.428 10.538 -18.424 1.00 2.32 C ATOM 988 NH1 ARG A 66 18.423 11.767 -18.922 1.00 11.02 N ATOM 989 NH2 ARG A 66 18.883 9.531 -19.159 1.00 1.43 N ATOM 0 H ARG A 66 18.592 12.915 -11.923 1.00 53.34 H new ATOM 0 HA ARG A 66 16.019 11.900 -12.787 1.00 54.34 H new ATOM 0 HB2 ARG A 66 18.191 12.451 -14.169 1.00 2.43 H new ATOM 0 HB3 ARG A 66 18.731 10.872 -13.634 1.00 2.43 H new ATOM 0 HG2 ARG A 66 17.207 9.742 -14.935 1.00 14.01 H new ATOM 0 HG3 ARG A 66 15.988 10.995 -14.803 1.00 14.01 H new ATOM 0 HD2 ARG A 66 16.606 11.841 -16.793 1.00 32.14 H new ATOM 0 HD3 ARG A 66 18.224 12.134 -16.187 1.00 32.14 H new ATOM 0 HE ARG A 66 18.000 9.359 -16.839 1.00 75.23 H new ATOM 0 HH11 ARG A 66 18.075 12.544 -18.360 1.00 11.02 H new ATOM 0 HH12 ARG A 66 18.767 11.936 -19.867 1.00 11.02 H new ATOM 0 HH21 ARG A 66 18.890 8.584 -18.779 1.00 1.43 H new ATOM 0 HH22 ARG A 66 19.226 9.704 -20.104 1.00 1.43 H new ATOM 1003 N VAL A 67 16.418 10.344 -10.589 1.00 55.21 N ATOM 1004 CA VAL A 67 16.340 9.156 -9.747 1.00 53.33 C ATOM 1005 C VAL A 67 15.564 8.042 -10.440 1.00 33.31 C ATOM 1006 O VAL A 67 15.014 8.235 -11.524 1.00 51.53 O ATOM 1007 CB VAL A 67 15.671 9.469 -8.396 1.00 11.25 C ATOM 1008 CG1 VAL A 67 16.603 10.287 -7.515 1.00 41.41 C ATOM 1009 CG2 VAL A 67 14.352 10.196 -8.610 1.00 11.12 C ATOM 0 H VAL A 67 15.959 11.168 -10.200 1.00 55.21 H new ATOM 0 HA VAL A 67 17.363 8.826 -9.569 1.00 53.33 H new ATOM 0 HB VAL A 67 15.462 8.528 -7.887 1.00 11.25 H new ATOM 0 HG11 VAL A 67 16.113 10.498 -6.565 1.00 41.41 H new ATOM 0 HG12 VAL A 67 17.519 9.725 -7.334 1.00 41.41 H new ATOM 0 HG13 VAL A 67 16.846 11.225 -8.015 1.00 41.41 H new ATOM 0 HG21 VAL A 67 13.893 10.409 -7.645 1.00 11.12 H new ATOM 0 HG22 VAL A 67 14.534 11.131 -9.140 1.00 11.12 H new ATOM 0 HG23 VAL A 67 13.683 9.569 -9.199 1.00 11.12 H new ATOM 1019 N ARG A 68 15.523 6.874 -9.806 1.00 12.40 N ATOM 1020 CA ARG A 68 14.814 5.728 -10.362 1.00 23.34 C ATOM 1021 C ARG A 68 13.549 5.431 -9.563 1.00 15.43 C ATOM 1022 O ARG A 68 13.611 4.890 -8.459 1.00 11.34 O ATOM 1023 CB ARG A 68 15.723 4.497 -10.373 1.00 73.23 C ATOM 1024 CG ARG A 68 15.244 3.396 -11.306 1.00 24.25 C ATOM 1025 CD ARG A 68 15.657 3.666 -12.744 1.00 70.41 C ATOM 1026 NE ARG A 68 14.549 3.477 -13.676 1.00 75.50 N ATOM 1027 CZ ARG A 68 14.573 3.885 -14.940 1.00 22.22 C ATOM 1028 NH1 ARG A 68 15.644 4.501 -15.420 1.00 43.40 N ATOM 1029 NH2 ARG A 68 13.525 3.676 -15.726 1.00 41.23 N ATOM 0 H ARG A 68 15.972 6.697 -8.908 1.00 12.40 H new ATOM 0 HA ARG A 68 14.528 5.971 -11.385 1.00 23.34 H new ATOM 0 HB2 ARG A 68 16.728 4.800 -10.668 1.00 73.23 H new ATOM 0 HB3 ARG A 68 15.794 4.099 -9.361 1.00 73.23 H new ATOM 0 HG2 ARG A 68 15.654 2.439 -10.982 1.00 24.25 H new ATOM 0 HG3 ARG A 68 14.159 3.314 -11.247 1.00 24.25 H new ATOM 0 HD2 ARG A 68 16.032 4.686 -12.828 1.00 70.41 H new ATOM 0 HD3 ARG A 68 16.477 3.002 -13.016 1.00 70.41 H new ATOM 0 HE ARG A 68 13.710 3.006 -13.338 1.00 75.50 H new ATOM 0 HH11 ARG A 68 16.452 4.663 -14.819 1.00 43.40 H new ATOM 0 HH12 ARG A 68 15.660 4.813 -16.391 1.00 43.40 H new ATOM 0 HH21 ARG A 68 12.700 3.202 -15.360 1.00 41.23 H new ATOM 0 HH22 ARG A 68 13.545 3.990 -16.696 1.00 41.23 H new ATOM 1043 N VAL A 69 12.400 5.790 -10.128 1.00 43.42 N ATOM 1044 CA VAL A 69 11.120 5.563 -9.470 1.00 34.24 C ATOM 1045 C VAL A 69 10.275 4.557 -10.243 1.00 72.23 C ATOM 1046 O VAL A 69 10.211 4.600 -11.471 1.00 52.43 O ATOM 1047 CB VAL A 69 10.326 6.874 -9.318 1.00 32.14 C ATOM 1048 CG1 VAL A 69 9.021 6.626 -8.576 1.00 24.43 C ATOM 1049 CG2 VAL A 69 11.164 7.924 -8.603 1.00 74.41 C ATOM 0 H VAL A 69 12.330 6.240 -11.041 1.00 43.42 H new ATOM 0 HA VAL A 69 11.340 5.164 -8.480 1.00 34.24 H new ATOM 0 HB VAL A 69 10.085 7.249 -10.312 1.00 32.14 H new ATOM 0 HG11 VAL A 69 8.474 7.564 -8.478 1.00 24.43 H new ATOM 0 HG12 VAL A 69 8.417 5.910 -9.132 1.00 24.43 H new ATOM 0 HG13 VAL A 69 9.236 6.227 -7.585 1.00 24.43 H new ATOM 0 HG21 VAL A 69 10.588 8.844 -8.504 1.00 74.41 H new ATOM 0 HG22 VAL A 69 11.438 7.559 -7.613 1.00 74.41 H new ATOM 0 HG23 VAL A 69 12.068 8.122 -9.179 1.00 74.41 H new ATOM 1059 N GLU A 70 9.628 3.652 -9.516 1.00 32.25 N ATOM 1060 CA GLU A 70 8.787 2.634 -10.135 1.00 14.33 C ATOM 1061 C GLU A 70 7.900 1.955 -9.095 1.00 55.41 C ATOM 1062 O GLU A 70 8.119 2.091 -7.891 1.00 4.13 O ATOM 1063 CB GLU A 70 9.650 1.590 -10.844 1.00 64.45 C ATOM 1064 CG GLU A 70 9.316 1.423 -12.317 1.00 64.34 C ATOM 1065 CD GLU A 70 10.262 0.472 -13.026 1.00 12.12 C ATOM 1066 OE1 GLU A 70 11.155 -0.086 -12.356 1.00 23.13 O ATOM 1067 OE2 GLU A 70 10.107 0.287 -14.251 1.00 63.52 O ATOM 0 H GLU A 70 9.670 3.603 -8.498 1.00 32.25 H new ATOM 0 HA GLU A 70 8.147 3.125 -10.868 1.00 14.33 H new ATOM 0 HB2 GLU A 70 10.699 1.871 -10.748 1.00 64.45 H new ATOM 0 HB3 GLU A 70 9.530 0.630 -10.342 1.00 64.45 H new ATOM 0 HG2 GLU A 70 8.295 1.054 -12.415 1.00 64.34 H new ATOM 0 HG3 GLU A 70 9.351 2.396 -12.806 1.00 64.34 H new ATOM 1074 N LEU A 71 6.896 1.225 -9.569 1.00 1.02 N ATOM 1075 CA LEU A 71 5.974 0.524 -8.681 1.00 42.54 C ATOM 1076 C LEU A 71 6.218 -0.981 -8.722 1.00 14.35 C ATOM 1077 O LEU A 71 5.973 -1.632 -9.737 1.00 25.20 O ATOM 1078 CB LEU A 71 4.527 0.829 -9.073 1.00 43.33 C ATOM 1079 CG LEU A 71 4.172 2.308 -9.230 1.00 53.14 C ATOM 1080 CD1 LEU A 71 2.867 2.465 -9.996 1.00 44.15 C ATOM 1081 CD2 LEU A 71 4.077 2.981 -7.869 1.00 1.41 C ATOM 0 H LEU A 71 6.700 1.103 -10.562 1.00 1.02 H new ATOM 0 HA LEU A 71 6.150 0.874 -7.664 1.00 42.54 H new ATOM 0 HB2 LEU A 71 4.312 0.322 -10.014 1.00 43.33 H new ATOM 0 HB3 LEU A 71 3.869 0.396 -8.320 1.00 43.33 H new ATOM 0 HG LEU A 71 4.965 2.794 -9.799 1.00 53.14 H new ATOM 0 HD11 LEU A 71 2.630 3.524 -10.098 1.00 44.15 H new ATOM 0 HD12 LEU A 71 2.970 2.019 -10.985 1.00 44.15 H new ATOM 0 HD13 LEU A 71 2.065 1.964 -9.454 1.00 44.15 H new ATOM 0 HD21 LEU A 71 3.824 4.033 -8.000 1.00 1.41 H new ATOM 0 HD22 LEU A 71 3.304 2.493 -7.275 1.00 1.41 H new ATOM 0 HD23 LEU A 71 5.035 2.900 -7.355 1.00 1.41 H new ATOM 1093 N SER A 72 6.698 -1.527 -7.609 1.00 63.22 N ATOM 1094 CA SER A 72 6.976 -2.956 -7.518 1.00 2.33 C ATOM 1095 C SER A 72 5.681 -3.755 -7.408 1.00 23.11 C ATOM 1096 O SER A 72 5.627 -4.928 -7.781 1.00 4.50 O ATOM 1097 CB SER A 72 7.872 -3.246 -6.312 1.00 31.31 C ATOM 1098 OG SER A 72 7.967 -2.116 -5.463 1.00 14.33 O ATOM 0 H SER A 72 6.902 -1.002 -6.759 1.00 63.22 H new ATOM 0 HA SER A 72 7.494 -3.260 -8.428 1.00 2.33 H new ATOM 0 HB2 SER A 72 7.472 -4.092 -5.753 1.00 31.31 H new ATOM 0 HB3 SER A 72 8.867 -3.532 -6.654 1.00 31.31 H new ATOM 0 HG SER A 72 8.544 -2.328 -4.699 1.00 14.33 H new ATOM 1104 N THR A 73 4.638 -3.112 -6.893 1.00 30.02 N ATOM 1105 CA THR A 73 3.343 -3.761 -6.732 1.00 22.40 C ATOM 1106 C THR A 73 2.204 -2.812 -7.085 1.00 2.31 C ATOM 1107 O THR A 73 2.217 -1.643 -6.702 1.00 54.42 O ATOM 1108 CB THR A 73 3.145 -4.270 -5.292 1.00 12.14 C ATOM 1109 OG1 THR A 73 4.408 -4.626 -4.719 1.00 42.33 O ATOM 1110 CG2 THR A 73 2.214 -5.473 -5.266 1.00 11.22 C ATOM 0 H THR A 73 4.665 -2.142 -6.580 1.00 30.02 H new ATOM 0 HA THR A 73 3.328 -4.610 -7.415 1.00 22.40 H new ATOM 0 HB THR A 73 2.694 -3.469 -4.707 1.00 12.14 H new ATOM 0 HG1 THR A 73 4.273 -4.947 -3.803 1.00 42.33 H new ATOM 0 HG21 THR A 73 2.090 -5.815 -4.238 1.00 11.22 H new ATOM 0 HG22 THR A 73 1.244 -5.191 -5.675 1.00 11.22 H new ATOM 0 HG23 THR A 73 2.641 -6.276 -5.866 1.00 11.22 H new ATOM 1118 N GLY A 74 1.219 -3.323 -7.817 1.00 40.34 N ATOM 1119 CA GLY A 74 0.085 -2.506 -8.209 1.00 44.31 C ATOM 1120 C GLY A 74 0.238 -1.932 -9.604 1.00 25.12 C ATOM 1121 O GLY A 74 -0.402 -0.939 -9.947 1.00 42.21 O ATOM 0 H GLY A 74 1.186 -4.288 -8.146 1.00 40.34 H new ATOM 0 HA2 GLY A 74 -0.824 -3.106 -8.164 1.00 44.31 H new ATOM 0 HA3 GLY A 74 -0.036 -1.691 -7.495 1.00 44.31 H new ATOM 1125 N MET A 75 1.091 -2.558 -10.409 1.00 55.01 N ATOM 1126 CA MET A 75 1.326 -2.103 -11.774 1.00 51.24 C ATOM 1127 C MET A 75 1.075 -3.228 -12.773 1.00 53.35 C ATOM 1128 O MET A 75 1.981 -3.974 -13.145 1.00 34.33 O ATOM 1129 CB MET A 75 2.757 -1.584 -11.922 1.00 45.11 C ATOM 1130 CG MET A 75 2.836 -0.102 -12.250 1.00 11.30 C ATOM 1131 SD MET A 75 2.598 0.235 -14.005 1.00 64.14 S ATOM 1132 CE MET A 75 2.077 1.948 -13.954 1.00 64.22 C ATOM 0 H MET A 75 1.630 -3.381 -10.140 1.00 55.01 H new ATOM 0 HA MET A 75 0.629 -1.292 -11.985 1.00 51.24 H new ATOM 0 HB2 MET A 75 3.300 -1.772 -10.996 1.00 45.11 H new ATOM 0 HB3 MET A 75 3.260 -2.149 -12.707 1.00 45.11 H new ATOM 0 HG2 MET A 75 2.081 0.434 -11.675 1.00 11.30 H new ATOM 0 HG3 MET A 75 3.807 0.284 -11.938 1.00 11.30 H new ATOM 0 HE1 MET A 75 1.891 2.302 -14.968 1.00 64.22 H new ATOM 0 HE2 MET A 75 1.163 2.033 -13.366 1.00 64.22 H new ATOM 0 HE3 MET A 75 2.860 2.553 -13.497 1.00 64.22 H new ATOM 1142 N PRO A 76 -0.184 -3.354 -13.220 1.00 22.01 N ATOM 1143 CA PRO A 76 -0.583 -4.386 -14.182 1.00 43.40 C ATOM 1144 C PRO A 76 -0.011 -4.133 -15.573 1.00 23.32 C ATOM 1145 O PRO A 76 -0.294 -3.109 -16.194 1.00 60.03 O ATOM 1146 CB PRO A 76 -2.110 -4.278 -14.204 1.00 65.53 C ATOM 1147 CG PRO A 76 -2.397 -2.876 -13.793 1.00 41.34 C ATOM 1148 CD PRO A 76 -1.314 -2.499 -12.820 1.00 72.21 C ATOM 0 HA PRO A 76 -0.216 -5.372 -13.898 1.00 43.40 H new ATOM 0 HB2 PRO A 76 -2.507 -4.489 -15.197 1.00 65.53 H new ATOM 0 HB3 PRO A 76 -2.567 -4.993 -13.520 1.00 65.53 H new ATOM 0 HG2 PRO A 76 -2.396 -2.209 -14.655 1.00 41.34 H new ATOM 0 HG3 PRO A 76 -3.381 -2.799 -13.331 1.00 41.34 H new ATOM 0 HD2 PRO A 76 -1.062 -1.441 -12.890 1.00 72.21 H new ATOM 0 HD3 PRO A 76 -1.616 -2.688 -11.790 1.00 72.21 H new ATOM 1156 N ARG A 77 0.795 -5.073 -16.056 1.00 30.52 N ATOM 1157 CA ARG A 77 1.407 -4.952 -17.373 1.00 62.03 C ATOM 1158 C ARG A 77 1.489 -6.311 -18.062 1.00 73.03 C ATOM 1159 O ARG A 77 1.118 -7.334 -17.486 1.00 3.35 O ATOM 1160 CB ARG A 77 2.806 -4.344 -17.255 1.00 52.41 C ATOM 1161 CG ARG A 77 2.877 -2.890 -17.695 1.00 30.41 C ATOM 1162 CD ARG A 77 4.306 -2.471 -18.002 1.00 10.40 C ATOM 1163 NE ARG A 77 4.483 -2.119 -19.408 1.00 60.44 N ATOM 1164 CZ ARG A 77 5.492 -1.383 -19.861 1.00 14.44 C ATOM 1165 NH1 ARG A 77 6.409 -0.922 -19.021 1.00 71.23 N ATOM 1166 NH2 ARG A 77 5.584 -1.106 -21.155 1.00 4.51 N ATOM 0 H ARG A 77 1.039 -5.927 -15.554 1.00 30.52 H new ATOM 0 HA ARG A 77 0.782 -4.295 -17.977 1.00 62.03 H new ATOM 0 HB2 ARG A 77 3.139 -4.418 -16.220 1.00 52.41 H new ATOM 0 HB3 ARG A 77 3.500 -4.931 -17.856 1.00 52.41 H new ATOM 0 HG2 ARG A 77 2.256 -2.745 -18.579 1.00 30.41 H new ATOM 0 HG3 ARG A 77 2.470 -2.251 -16.911 1.00 30.41 H new ATOM 0 HD2 ARG A 77 4.576 -1.619 -17.378 1.00 10.40 H new ATOM 0 HD3 ARG A 77 4.985 -3.283 -17.743 1.00 10.40 H new ATOM 0 HE ARG A 77 3.794 -2.457 -20.080 1.00 60.44 H new ATOM 0 HH11 ARG A 77 6.340 -1.132 -18.025 1.00 71.23 H new ATOM 0 HH12 ARG A 77 7.183 -0.357 -19.371 1.00 71.23 H new ATOM 0 HH21 ARG A 77 4.880 -1.458 -21.803 1.00 4.51 H new ATOM 0 HH22 ARG A 77 6.359 -0.541 -21.502 1.00 4.51 H new ATOM 1180 N ARG A 78 1.975 -6.313 -19.299 1.00 61.51 N ATOM 1181 CA ARG A 78 2.103 -7.546 -20.067 1.00 44.02 C ATOM 1182 C ARG A 78 3.437 -8.229 -19.780 1.00 30.53 C ATOM 1183 O ARG A 78 3.494 -9.444 -19.586 1.00 4.34 O ATOM 1184 CB ARG A 78 1.980 -7.254 -21.564 1.00 32.41 C ATOM 1185 CG ARG A 78 3.031 -6.288 -22.085 1.00 13.11 C ATOM 1186 CD ARG A 78 2.500 -5.460 -23.245 1.00 61.31 C ATOM 1187 NE ARG A 78 1.832 -4.244 -22.789 1.00 72.34 N ATOM 1188 CZ ARG A 78 1.146 -3.438 -23.592 1.00 0.21 C ATOM 1189 NH1 ARG A 78 1.038 -3.717 -24.883 1.00 63.25 N ATOM 1190 NH2 ARG A 78 0.566 -2.350 -23.102 1.00 52.55 N ATOM 0 H ARG A 78 2.286 -5.475 -19.791 1.00 61.51 H new ATOM 0 HA ARG A 78 1.298 -8.217 -19.767 1.00 44.02 H new ATOM 0 HB2 ARG A 78 2.055 -8.191 -22.116 1.00 32.41 H new ATOM 0 HB3 ARG A 78 0.990 -6.844 -21.765 1.00 32.41 H new ATOM 0 HG2 ARG A 78 3.349 -5.626 -21.280 1.00 13.11 H new ATOM 0 HG3 ARG A 78 3.911 -6.845 -22.407 1.00 13.11 H new ATOM 0 HD2 ARG A 78 3.324 -5.194 -23.908 1.00 61.31 H new ATOM 0 HD3 ARG A 78 1.802 -6.060 -23.829 1.00 61.31 H new ATOM 0 HE ARG A 78 1.896 -4.000 -21.801 1.00 72.34 H new ATOM 0 HH11 ARG A 78 1.482 -4.553 -25.263 1.00 63.25 H new ATOM 0 HH12 ARG A 78 0.511 -3.096 -25.497 1.00 63.25 H new ATOM 0 HH21 ARG A 78 0.647 -2.132 -22.109 1.00 52.55 H new ATOM 0 HH22 ARG A 78 0.039 -1.731 -23.719 1.00 52.55 H new ATOM 1204 N SER A 79 4.507 -7.441 -19.755 1.00 31.15 N ATOM 1205 CA SER A 79 5.841 -7.971 -19.495 1.00 54.42 C ATOM 1206 C SER A 79 6.522 -7.199 -18.369 1.00 33.33 C ATOM 1207 O SER A 79 5.915 -6.332 -17.740 1.00 34.31 O ATOM 1208 CB SER A 79 6.694 -7.904 -20.763 1.00 42.10 C ATOM 1209 OG SER A 79 6.043 -8.538 -21.850 1.00 63.51 O ATOM 0 H SER A 79 4.477 -6.434 -19.912 1.00 31.15 H new ATOM 0 HA SER A 79 5.739 -9.012 -19.188 1.00 54.42 H new ATOM 0 HB2 SER A 79 6.897 -6.863 -21.014 1.00 42.10 H new ATOM 0 HB3 SER A 79 7.657 -8.382 -20.583 1.00 42.10 H new ATOM 0 HG SER A 79 6.608 -8.480 -22.649 1.00 63.51 H new ATOM 1215 N ARG A 80 7.787 -7.522 -18.120 1.00 13.21 N ATOM 1216 CA ARG A 80 8.551 -6.861 -17.069 1.00 21.11 C ATOM 1217 C ARG A 80 7.951 -7.151 -15.696 1.00 63.32 C ATOM 1218 O ARG A 80 8.265 -6.477 -14.715 1.00 24.42 O ATOM 1219 CB ARG A 80 8.592 -5.351 -17.311 1.00 35.13 C ATOM 1220 CG ARG A 80 8.954 -4.972 -18.737 1.00 72.24 C ATOM 1221 CD ARG A 80 9.898 -3.780 -18.775 1.00 35.42 C ATOM 1222 NE ARG A 80 11.164 -4.064 -18.106 1.00 22.05 N ATOM 1223 CZ ARG A 80 12.181 -3.210 -18.063 1.00 54.24 C ATOM 1224 NH1 ARG A 80 12.079 -2.024 -18.648 1.00 61.34 N ATOM 1225 NH2 ARG A 80 13.301 -3.541 -17.435 1.00 3.53 N ATOM 0 H ARG A 80 8.304 -8.237 -18.632 1.00 13.21 H new ATOM 0 HA ARG A 80 9.568 -7.253 -17.092 1.00 21.11 H new ATOM 0 HB2 ARG A 80 7.618 -4.926 -17.067 1.00 35.13 H new ATOM 0 HB3 ARG A 80 9.315 -4.902 -16.630 1.00 35.13 H new ATOM 0 HG2 ARG A 80 9.421 -5.823 -19.233 1.00 72.24 H new ATOM 0 HG3 ARG A 80 8.047 -4.737 -19.293 1.00 72.24 H new ATOM 0 HD2 ARG A 80 10.090 -3.502 -19.811 1.00 35.42 H new ATOM 0 HD3 ARG A 80 9.420 -2.924 -18.299 1.00 35.42 H new ATOM 0 HE ARG A 80 11.274 -4.968 -17.646 1.00 22.05 H new ATOM 0 HH11 ARG A 80 11.219 -1.766 -19.132 1.00 61.34 H new ATOM 0 HH12 ARG A 80 12.861 -1.370 -18.614 1.00 61.34 H new ATOM 0 HH21 ARG A 80 13.383 -4.452 -16.984 1.00 3.53 H new ATOM 0 HH22 ARG A 80 14.081 -2.884 -17.403 1.00 3.53 H new ATOM 1239 N PHE A 81 7.086 -8.158 -15.635 1.00 62.11 N ATOM 1240 CA PHE A 81 6.441 -8.537 -14.383 1.00 50.23 C ATOM 1241 C PHE A 81 6.417 -10.054 -14.221 1.00 3.22 C ATOM 1242 O PHE A 81 5.858 -10.769 -15.052 1.00 33.20 O ATOM 1243 CB PHE A 81 5.015 -7.985 -14.333 1.00 12.24 C ATOM 1244 CG PHE A 81 4.897 -6.697 -13.568 1.00 63.14 C ATOM 1245 CD1 PHE A 81 5.137 -5.483 -14.190 1.00 41.55 C ATOM 1246 CD2 PHE A 81 4.547 -6.701 -12.228 1.00 24.33 C ATOM 1247 CE1 PHE A 81 5.029 -4.296 -13.490 1.00 44.32 C ATOM 1248 CE2 PHE A 81 4.438 -5.518 -11.523 1.00 12.25 C ATOM 1249 CZ PHE A 81 4.680 -4.314 -12.154 1.00 43.42 C ATOM 0 H PHE A 81 6.815 -8.726 -16.438 1.00 62.11 H new ATOM 0 HA PHE A 81 7.018 -8.111 -13.562 1.00 50.23 H new ATOM 0 HB2 PHE A 81 4.659 -7.828 -15.351 1.00 12.24 H new ATOM 0 HB3 PHE A 81 4.361 -8.730 -13.878 1.00 12.24 H new ATOM 0 HD1 PHE A 81 5.412 -5.464 -15.234 1.00 41.55 H new ATOM 0 HD2 PHE A 81 4.357 -7.640 -11.729 1.00 24.33 H new ATOM 0 HE1 PHE A 81 5.217 -3.356 -13.987 1.00 44.32 H new ATOM 0 HE2 PHE A 81 4.164 -5.535 -10.479 1.00 12.25 H new ATOM 0 HZ PHE A 81 4.597 -3.388 -11.604 1.00 43.42 H new ATOM 1259 N ASP A 82 7.029 -10.537 -13.145 1.00 70.02 N ATOM 1260 CA ASP A 82 7.078 -11.969 -12.872 1.00 44.32 C ATOM 1261 C ASP A 82 5.892 -12.400 -12.015 1.00 41.15 C ATOM 1262 O ASP A 82 5.261 -13.423 -12.281 1.00 64.21 O ATOM 1263 CB ASP A 82 8.388 -12.331 -12.171 1.00 4.12 C ATOM 1264 CG ASP A 82 9.003 -13.606 -12.714 1.00 35.22 C ATOM 1265 OD1 ASP A 82 8.628 -14.696 -12.233 1.00 51.02 O ATOM 1266 OD2 ASP A 82 9.859 -13.514 -13.619 1.00 34.43 O ATOM 0 H ASP A 82 7.498 -9.958 -12.448 1.00 70.02 H new ATOM 0 HA ASP A 82 7.026 -12.497 -13.824 1.00 44.32 H new ATOM 0 HB2 ASP A 82 9.097 -11.511 -12.287 1.00 4.12 H new ATOM 0 HB3 ASP A 82 8.205 -12.446 -11.103 1.00 4.12 H new ATOM 1271 N ARG A 83 5.595 -11.613 -10.986 1.00 70.15 N ATOM 1272 CA ARG A 83 4.486 -11.915 -10.089 1.00 41.33 C ATOM 1273 C ARG A 83 3.286 -11.021 -10.389 1.00 30.13 C ATOM 1274 O ARG A 83 3.406 -9.966 -11.012 1.00 64.43 O ATOM 1275 CB ARG A 83 4.918 -11.736 -8.633 1.00 34.14 C ATOM 1276 CG ARG A 83 5.235 -13.044 -7.926 1.00 75.35 C ATOM 1277 CD ARG A 83 5.653 -12.811 -6.483 1.00 75.21 C ATOM 1278 NE ARG A 83 7.098 -12.922 -6.307 1.00 41.42 N ATOM 1279 CZ ARG A 83 7.742 -14.081 -6.224 1.00 12.44 C ATOM 1280 NH1 ARG A 83 7.072 -15.222 -6.300 1.00 14.02 N ATOM 1281 NH2 ARG A 83 9.059 -14.099 -6.064 1.00 30.32 N ATOM 0 H ARG A 83 6.107 -10.762 -10.753 1.00 70.15 H new ATOM 0 HA ARG A 83 4.193 -12.953 -10.249 1.00 41.33 H new ATOM 0 HB2 ARG A 83 5.797 -11.093 -8.600 1.00 34.14 H new ATOM 0 HB3 ARG A 83 4.126 -11.221 -8.089 1.00 34.14 H new ATOM 0 HG2 ARG A 83 4.360 -13.694 -7.952 1.00 75.35 H new ATOM 0 HG3 ARG A 83 6.033 -13.562 -8.458 1.00 75.35 H new ATOM 0 HD2 ARG A 83 5.324 -11.821 -6.166 1.00 75.21 H new ATOM 0 HD3 ARG A 83 5.153 -13.535 -5.839 1.00 75.21 H new ATOM 0 HE ARG A 83 7.643 -12.062 -6.244 1.00 41.42 H new ATOM 0 HH11 ARG A 83 6.059 -15.212 -6.423 1.00 14.02 H new ATOM 0 HH12 ARG A 83 7.569 -16.110 -6.236 1.00 14.02 H new ATOM 0 HH21 ARG A 83 9.578 -13.223 -6.005 1.00 30.32 H new ATOM 0 HH22 ARG A 83 9.553 -14.989 -6.000 1.00 30.32 H new ATOM 1295 N PRO A 84 2.099 -11.452 -9.935 1.00 5.42 N ATOM 1296 CA PRO A 84 0.855 -10.706 -10.142 1.00 53.30 C ATOM 1297 C PRO A 84 0.809 -9.417 -9.328 1.00 52.02 C ATOM 1298 O PRO A 84 1.230 -9.369 -8.172 1.00 44.15 O ATOM 1299 CB PRO A 84 -0.226 -11.679 -9.664 1.00 2.22 C ATOM 1300 CG PRO A 84 0.468 -12.566 -8.689 1.00 22.11 C ATOM 1301 CD PRO A 84 1.882 -12.699 -9.184 1.00 31.42 C ATOM 0 HA PRO A 84 0.737 -10.391 -11.179 1.00 53.30 H new ATOM 0 HB2 PRO A 84 -1.056 -11.150 -9.197 1.00 2.22 H new ATOM 0 HB3 PRO A 84 -0.640 -12.251 -10.495 1.00 2.22 H new ATOM 0 HG2 PRO A 84 0.444 -12.138 -7.687 1.00 22.11 H new ATOM 0 HG3 PRO A 84 -0.019 -13.540 -8.632 1.00 22.11 H new ATOM 0 HD2 PRO A 84 2.588 -12.800 -8.360 1.00 31.42 H new ATOM 0 HD3 PRO A 84 2.005 -13.577 -9.818 1.00 31.42 H new ATOM 1309 N PRO A 85 0.285 -8.346 -9.943 1.00 74.30 N ATOM 1310 CA PRO A 85 0.170 -7.037 -9.293 1.00 63.30 C ATOM 1311 C PRO A 85 -0.873 -7.032 -8.181 1.00 3.53 C ATOM 1312 O PRO A 85 -1.790 -7.852 -8.173 1.00 52.51 O ATOM 1313 CB PRO A 85 -0.259 -6.111 -10.434 1.00 32.24 C ATOM 1314 CG PRO A 85 -0.941 -7.005 -11.411 1.00 64.23 C ATOM 1315 CD PRO A 85 -0.237 -8.331 -11.320 1.00 34.22 C ATOM 0 HA PRO A 85 1.101 -6.738 -8.811 1.00 63.30 H new ATOM 0 HB2 PRO A 85 -0.929 -5.329 -10.078 1.00 32.24 H new ATOM 0 HB3 PRO A 85 0.600 -5.614 -10.885 1.00 32.24 H new ATOM 0 HG2 PRO A 85 -2.000 -7.108 -11.173 1.00 64.23 H new ATOM 0 HG3 PRO A 85 -0.879 -6.599 -12.421 1.00 64.23 H new ATOM 0 HD2 PRO A 85 -0.920 -9.162 -11.500 1.00 34.22 H new ATOM 0 HD3 PRO A 85 0.564 -8.412 -12.054 1.00 34.22 H new ATOM 1323 N ALA A 86 -0.726 -6.101 -7.243 1.00 23.42 N ATOM 1324 CA ALA A 86 -1.657 -5.988 -6.127 1.00 42.21 C ATOM 1325 C ALA A 86 -2.874 -5.153 -6.511 1.00 2.24 C ATOM 1326 O ALA A 86 -3.218 -4.189 -5.826 1.00 45.24 O ATOM 1327 CB ALA A 86 -0.960 -5.383 -4.917 1.00 64.34 C ATOM 0 H ALA A 86 0.029 -5.415 -7.234 1.00 23.42 H new ATOM 0 HA ALA A 86 -2.002 -6.990 -5.870 1.00 42.21 H new ATOM 0 HB1 ALA A 86 -1.667 -5.305 -4.091 1.00 64.34 H new ATOM 0 HB2 ALA A 86 -0.126 -6.020 -4.621 1.00 64.34 H new ATOM 0 HB3 ALA A 86 -0.587 -4.391 -5.171 1.00 64.34 H new ATOM 1333 N ARG A 87 -3.521 -5.529 -7.609 1.00 14.24 N ATOM 1334 CA ARG A 87 -4.699 -4.813 -8.084 1.00 12.12 C ATOM 1335 C ARG A 87 -5.974 -5.582 -7.750 1.00 72.02 C ATOM 1336 O ARG A 87 -6.846 -5.080 -7.040 1.00 23.31 O ATOM 1337 CB ARG A 87 -4.609 -4.585 -9.594 1.00 1.22 C ATOM 1338 CG ARG A 87 -3.322 -3.904 -10.031 1.00 14.41 C ATOM 1339 CD ARG A 87 -3.392 -2.398 -9.826 1.00 64.42 C ATOM 1340 NE ARG A 87 -4.492 -1.794 -10.573 1.00 65.44 N ATOM 1341 CZ ARG A 87 -4.784 -0.499 -10.532 1.00 71.34 C ATOM 1342 NH1 ARG A 87 -4.062 0.323 -9.785 1.00 2.54 N ATOM 1343 NH2 ARG A 87 -5.801 -0.025 -11.241 1.00 3.22 N ATOM 0 H ARG A 87 -3.250 -6.325 -8.186 1.00 14.24 H new ATOM 0 HA ARG A 87 -4.735 -3.848 -7.579 1.00 12.12 H new ATOM 0 HB2 ARG A 87 -4.693 -5.545 -10.104 1.00 1.22 H new ATOM 0 HB3 ARG A 87 -5.457 -3.979 -9.913 1.00 1.22 H new ATOM 0 HG2 ARG A 87 -2.484 -4.311 -9.466 1.00 14.41 H new ATOM 0 HG3 ARG A 87 -3.133 -4.121 -11.082 1.00 14.41 H new ATOM 0 HD2 ARG A 87 -3.513 -2.182 -8.765 1.00 64.42 H new ATOM 0 HD3 ARG A 87 -2.451 -1.946 -10.138 1.00 64.42 H new ATOM 0 HE ARG A 87 -5.067 -2.400 -11.158 1.00 65.44 H new ATOM 0 HH11 ARG A 87 -3.280 -0.038 -9.239 1.00 2.54 H new ATOM 0 HH12 ARG A 87 -4.289 1.317 -9.755 1.00 2.54 H new ATOM 0 HH21 ARG A 87 -6.358 -0.655 -11.817 1.00 3.22 H new ATOM 0 HH22 ARG A 87 -6.025 0.970 -11.209 1.00 3.22 H new ATOM 1357 N ARG A 88 -6.076 -6.802 -8.268 1.00 50.30 N ATOM 1358 CA ARG A 88 -7.245 -7.639 -8.027 1.00 22.13 C ATOM 1359 C ARG A 88 -6.835 -9.089 -7.789 1.00 23.54 C ATOM 1360 O ARG A 88 -5.649 -9.399 -7.669 1.00 32.34 O ATOM 1361 CB ARG A 88 -8.210 -7.559 -9.211 1.00 43.41 C ATOM 1362 CG ARG A 88 -7.679 -8.216 -10.475 1.00 32.14 C ATOM 1363 CD ARG A 88 -8.570 -9.365 -10.921 1.00 23.34 C ATOM 1364 NE ARG A 88 -8.036 -10.046 -12.097 1.00 72.33 N ATOM 1365 CZ ARG A 88 -8.692 -10.993 -12.759 1.00 53.11 C ATOM 1366 NH1 ARG A 88 -9.900 -11.368 -12.362 1.00 33.22 N ATOM 1367 NH2 ARG A 88 -8.140 -11.566 -13.821 1.00 53.20 N ATOM 0 H ARG A 88 -5.363 -7.232 -8.857 1.00 50.30 H new ATOM 0 HA ARG A 88 -7.747 -7.269 -7.133 1.00 22.13 H new ATOM 0 HB2 ARG A 88 -9.152 -8.032 -8.934 1.00 43.41 H new ATOM 0 HB3 ARG A 88 -8.429 -6.512 -9.420 1.00 43.41 H new ATOM 0 HG2 ARG A 88 -7.613 -7.475 -11.272 1.00 32.14 H new ATOM 0 HG3 ARG A 88 -6.669 -8.585 -10.298 1.00 32.14 H new ATOM 0 HD2 ARG A 88 -8.676 -10.080 -10.105 1.00 23.34 H new ATOM 0 HD3 ARG A 88 -9.567 -8.985 -11.143 1.00 23.34 H new ATOM 0 HE ARG A 88 -7.109 -9.780 -12.428 1.00 72.33 H new ATOM 0 HH11 ARG A 88 -10.328 -10.929 -11.547 1.00 33.22 H new ATOM 0 HH12 ARG A 88 -10.402 -12.095 -12.872 1.00 33.22 H new ATOM 0 HH21 ARG A 88 -7.211 -11.280 -14.130 1.00 53.20 H new ATOM 0 HH22 ARG A 88 -8.645 -12.293 -14.328 1.00 53.20 H new ATOM 1381 N LYS A 89 -7.823 -9.975 -7.721 1.00 11.22 N ATOM 1382 CA LYS A 89 -7.567 -11.393 -7.498 1.00 1.21 C ATOM 1383 C LYS A 89 -6.924 -11.622 -6.134 1.00 4.41 C ATOM 1384 O LYS A 89 -6.366 -10.700 -5.536 1.00 52.35 O ATOM 1385 CB LYS A 89 -6.662 -11.948 -8.600 1.00 22.00 C ATOM 1386 CG LYS A 89 -6.678 -13.464 -8.694 1.00 2.10 C ATOM 1387 CD LYS A 89 -6.497 -13.936 -10.127 1.00 1.30 C ATOM 1388 CE LYS A 89 -5.672 -15.212 -10.194 1.00 34.13 C ATOM 1389 NZ LYS A 89 -4.580 -15.115 -11.201 1.00 2.32 N ATOM 0 H LYS A 89 -8.810 -9.735 -7.817 1.00 11.22 H new ATOM 0 HA LYS A 89 -8.522 -11.917 -7.522 1.00 1.21 H new ATOM 0 HB2 LYS A 89 -6.971 -11.530 -9.558 1.00 22.00 H new ATOM 0 HB3 LYS A 89 -5.640 -11.614 -8.422 1.00 22.00 H new ATOM 0 HG2 LYS A 89 -5.884 -13.876 -8.071 1.00 2.10 H new ATOM 0 HG3 LYS A 89 -7.621 -13.844 -8.301 1.00 2.10 H new ATOM 0 HD2 LYS A 89 -7.473 -14.108 -10.580 1.00 1.30 H new ATOM 0 HD3 LYS A 89 -6.009 -13.155 -10.709 1.00 1.30 H new ATOM 0 HE2 LYS A 89 -5.244 -15.419 -9.213 1.00 34.13 H new ATOM 0 HE3 LYS A 89 -6.321 -16.051 -10.442 1.00 34.13 H new ATOM 0 HZ1 LYS A 89 -4.041 -16.005 -11.216 1.00 2.32 H new ATOM 0 HZ2 LYS A 89 -4.989 -14.942 -12.141 1.00 2.32 H new ATOM 0 HZ3 LYS A 89 -3.945 -14.330 -10.950 1.00 2.32 H new ATOM 1403 N LEU A 90 -7.003 -12.855 -5.647 1.00 2.00 N ATOM 1404 CA LEU A 90 -6.427 -13.205 -4.353 1.00 64.44 C ATOM 1405 C LEU A 90 -6.139 -14.701 -4.272 1.00 74.24 C ATOM 1406 O LEU A 90 -6.178 -15.294 -3.194 1.00 21.35 O ATOM 1407 CB LEU A 90 -7.372 -12.794 -3.224 1.00 32.25 C ATOM 1408 CG LEU A 90 -6.736 -12.036 -2.058 1.00 41.43 C ATOM 1409 CD1 LEU A 90 -7.542 -10.789 -1.730 1.00 2.54 C ATOM 1410 CD2 LEU A 90 -6.619 -12.935 -0.836 1.00 74.14 C ATOM 0 H LEU A 90 -7.460 -13.629 -6.128 1.00 2.00 H new ATOM 0 HA LEU A 90 -5.486 -12.666 -4.244 1.00 64.44 H new ATOM 0 HB2 LEU A 90 -8.162 -12.173 -3.647 1.00 32.25 H new ATOM 0 HB3 LEU A 90 -7.848 -13.692 -2.831 1.00 32.25 H new ATOM 0 HG LEU A 90 -5.733 -11.729 -2.354 1.00 41.43 H new ATOM 0 HD11 LEU A 90 -7.075 -10.262 -0.898 1.00 2.54 H new ATOM 0 HD12 LEU A 90 -7.572 -10.136 -2.602 1.00 2.54 H new ATOM 0 HD13 LEU A 90 -8.557 -11.074 -1.455 1.00 2.54 H new ATOM 0 HD21 LEU A 90 -6.164 -12.378 -0.017 1.00 74.14 H new ATOM 0 HD22 LEU A 90 -7.611 -13.274 -0.538 1.00 74.14 H new ATOM 0 HD23 LEU A 90 -5.998 -13.798 -1.077 1.00 74.14 H new ATOM 1422 N LEU A 91 -5.849 -15.305 -5.419 1.00 75.54 N ATOM 1423 CA LEU A 91 -5.553 -16.733 -5.479 1.00 1.43 C ATOM 1424 C LEU A 91 -6.830 -17.559 -5.370 1.00 32.20 C ATOM 1425 O LEU A 91 -6.803 -18.781 -5.509 1.00 60.54 O ATOM 1426 CB LEU A 91 -4.585 -17.119 -4.359 1.00 62.32 C ATOM 1427 CG LEU A 91 -3.625 -18.268 -4.669 1.00 62.42 C ATOM 1428 CD1 LEU A 91 -2.311 -18.081 -3.927 1.00 22.23 C ATOM 1429 CD2 LEU A 91 -4.258 -19.604 -4.308 1.00 62.32 C ATOM 0 H LEU A 91 -5.812 -14.829 -6.320 1.00 75.54 H new ATOM 0 HA LEU A 91 -5.088 -16.943 -6.442 1.00 1.43 H new ATOM 0 HB2 LEU A 91 -3.996 -16.240 -4.096 1.00 62.32 H new ATOM 0 HB3 LEU A 91 -5.168 -17.387 -3.478 1.00 62.32 H new ATOM 0 HG LEU A 91 -3.418 -18.264 -5.739 1.00 62.42 H new ATOM 0 HD11 LEU A 91 -1.641 -18.908 -4.160 1.00 22.23 H new ATOM 0 HD12 LEU A 91 -1.850 -17.143 -4.235 1.00 22.23 H new ATOM 0 HD13 LEU A 91 -2.499 -18.058 -2.854 1.00 22.23 H new ATOM 0 HD21 LEU A 91 -3.561 -20.410 -4.535 1.00 62.32 H new ATOM 0 HD22 LEU A 91 -4.495 -19.619 -3.244 1.00 62.32 H new ATOM 0 HD23 LEU A 91 -5.172 -19.741 -4.886 1.00 62.32 H new ATOM 1441 N GLU A 92 -7.948 -16.883 -5.122 1.00 45.13 N ATOM 1442 CA GLU A 92 -9.235 -17.556 -4.997 1.00 10.33 C ATOM 1443 C GLU A 92 -10.009 -17.499 -6.310 1.00 52.45 C ATOM 1444 O GLU A 92 -10.660 -18.467 -6.703 1.00 64.24 O ATOM 1445 CB GLU A 92 -10.061 -16.919 -3.877 1.00 72.11 C ATOM 1446 CG GLU A 92 -10.292 -15.429 -4.063 1.00 2.21 C ATOM 1447 CD GLU A 92 -11.080 -14.814 -2.923 1.00 3.25 C ATOM 1448 OE1 GLU A 92 -10.666 -14.981 -1.756 1.00 62.55 O ATOM 1449 OE2 GLU A 92 -12.111 -14.164 -3.197 1.00 65.30 O ATOM 0 H GLU A 92 -7.988 -15.871 -5.004 1.00 45.13 H new ATOM 0 HA GLU A 92 -9.047 -18.601 -4.752 1.00 10.33 H new ATOM 0 HB2 GLU A 92 -11.026 -17.423 -3.817 1.00 72.11 H new ATOM 0 HB3 GLU A 92 -9.555 -17.084 -2.925 1.00 72.11 H new ATOM 0 HG2 GLU A 92 -9.330 -14.924 -4.149 1.00 2.21 H new ATOM 0 HG3 GLU A 92 -10.824 -15.262 -4.999 1.00 2.21 H new ATOM 1456 N VAL A 93 -9.935 -16.356 -6.985 1.00 44.14 N ATOM 1457 CA VAL A 93 -10.627 -16.171 -8.255 1.00 72.20 C ATOM 1458 C VAL A 93 -9.710 -16.483 -9.432 1.00 22.21 C ATOM 1459 O VAL A 93 -8.491 -16.325 -9.343 1.00 34.33 O ATOM 1460 CB VAL A 93 -11.159 -14.733 -8.400 1.00 51.02 C ATOM 1461 CG1 VAL A 93 -12.059 -14.617 -9.621 1.00 42.11 C ATOM 1462 CG2 VAL A 93 -11.899 -14.309 -7.140 1.00 61.33 C ATOM 0 H VAL A 93 -9.402 -15.544 -6.673 1.00 44.14 H new ATOM 0 HA VAL A 93 -11.468 -16.864 -8.260 1.00 72.20 H new ATOM 0 HB VAL A 93 -10.311 -14.063 -8.539 1.00 51.02 H new ATOM 0 HG11 VAL A 93 -12.425 -13.594 -9.707 1.00 42.11 H new ATOM 0 HG12 VAL A 93 -11.493 -14.876 -10.516 1.00 42.11 H new ATOM 0 HG13 VAL A 93 -12.904 -15.297 -9.516 1.00 42.11 H new ATOM 0 HG21 VAL A 93 -12.268 -13.290 -7.260 1.00 61.33 H new ATOM 0 HG22 VAL A 93 -12.739 -14.981 -6.968 1.00 61.33 H new ATOM 0 HG23 VAL A 93 -11.220 -14.351 -6.288 1.00 61.33 H new ATOM 1472 N LEU A 94 -10.302 -16.927 -10.535 1.00 52.32 N ATOM 1473 CA LEU A 94 -9.538 -17.261 -11.732 1.00 53.02 C ATOM 1474 C LEU A 94 -10.406 -17.147 -12.981 1.00 73.54 C ATOM 1475 O LEU A 94 -11.626 -17.006 -12.892 1.00 31.12 O ATOM 1476 CB LEU A 94 -8.970 -18.677 -11.619 1.00 44.54 C ATOM 1477 CG LEU A 94 -9.970 -19.818 -11.805 1.00 25.42 C ATOM 1478 CD1 LEU A 94 -11.253 -19.534 -11.040 1.00 4.24 C ATOM 1479 CD2 LEU A 94 -10.264 -20.035 -13.282 1.00 12.30 C ATOM 0 H LEU A 94 -11.309 -17.064 -10.625 1.00 52.32 H new ATOM 0 HA LEU A 94 -8.715 -16.552 -11.818 1.00 53.02 H new ATOM 0 HB2 LEU A 94 -8.179 -18.790 -12.360 1.00 44.54 H new ATOM 0 HB3 LEU A 94 -8.506 -18.784 -10.639 1.00 44.54 H new ATOM 0 HG LEU A 94 -9.528 -20.731 -11.406 1.00 25.42 H new ATOM 0 HD11 LEU A 94 -11.953 -20.357 -11.185 1.00 4.24 H new ATOM 0 HD12 LEU A 94 -11.028 -19.431 -9.978 1.00 4.24 H new ATOM 0 HD13 LEU A 94 -11.699 -18.610 -11.408 1.00 4.24 H new ATOM 0 HD21 LEU A 94 -10.978 -20.851 -13.395 1.00 12.30 H new ATOM 0 HD22 LEU A 94 -10.685 -19.124 -13.707 1.00 12.30 H new ATOM 0 HD23 LEU A 94 -9.340 -20.286 -13.804 1.00 12.30 H new ATOM 1491 N PHE A 95 -9.769 -17.212 -14.146 1.00 35.30 N ATOM 1492 CA PHE A 95 -10.483 -17.118 -15.414 1.00 35.10 C ATOM 1493 C PHE A 95 -9.521 -17.248 -16.591 1.00 31.10 C ATOM 1494 O PHE A 95 -8.949 -16.261 -17.050 1.00 44.21 O ATOM 1495 CB PHE A 95 -11.238 -15.790 -15.501 1.00 45.45 C ATOM 1496 CG PHE A 95 -12.730 -15.950 -15.554 1.00 40.24 C ATOM 1497 CD1 PHE A 95 -13.317 -16.790 -16.486 1.00 73.14 C ATOM 1498 CD2 PHE A 95 -13.546 -15.260 -14.672 1.00 43.53 C ATOM 1499 CE1 PHE A 95 -14.690 -16.940 -16.538 1.00 34.15 C ATOM 1500 CE2 PHE A 95 -14.919 -15.406 -14.718 1.00 52.24 C ATOM 1501 CZ PHE A 95 -15.492 -16.246 -15.653 1.00 34.11 C ATOM 0 H PHE A 95 -8.760 -17.329 -14.238 1.00 35.30 H new ATOM 0 HA PHE A 95 -11.199 -17.939 -15.461 1.00 35.10 H new ATOM 0 HB2 PHE A 95 -10.977 -15.176 -14.639 1.00 45.45 H new ATOM 0 HB3 PHE A 95 -10.907 -15.251 -16.388 1.00 45.45 H new ATOM 0 HD1 PHE A 95 -12.694 -17.334 -17.180 1.00 73.14 H new ATOM 0 HD2 PHE A 95 -13.104 -14.600 -13.940 1.00 43.53 H new ATOM 0 HE1 PHE A 95 -15.135 -17.599 -17.269 1.00 34.15 H new ATOM 0 HE2 PHE A 95 -15.544 -14.864 -14.024 1.00 52.24 H new ATOM 0 HZ PHE A 95 -16.565 -16.360 -15.692 1.00 34.11 H new ATOM 1511 N ASN A 96 -9.348 -18.474 -17.074 1.00 33.34 N ATOM 1512 CA ASN A 96 -8.455 -18.735 -18.196 1.00 44.13 C ATOM 1513 C ASN A 96 -9.166 -19.535 -19.283 1.00 63.32 C ATOM 1514 O ASN A 96 -8.534 -20.270 -20.041 1.00 72.41 O ATOM 1515 CB ASN A 96 -7.212 -19.491 -17.721 1.00 50.32 C ATOM 1516 CG ASN A 96 -6.391 -18.688 -16.730 1.00 70.33 C ATOM 1517 OD1 ASN A 96 -5.624 -17.805 -17.114 1.00 12.10 O ATOM 1518 ND2 ASN A 96 -6.549 -18.993 -15.447 1.00 64.35 N ATOM 0 H ASN A 96 -9.815 -19.303 -16.705 1.00 33.34 H new ATOM 0 HA ASN A 96 -8.151 -17.776 -18.616 1.00 44.13 H new ATOM 0 HB2 ASN A 96 -7.516 -20.431 -17.260 1.00 50.32 H new ATOM 0 HB3 ASN A 96 -6.593 -19.744 -18.582 1.00 50.32 H new ATOM 0 HD21 ASN A 96 -6.023 -18.487 -14.734 1.00 64.35 H new ATOM 0 HD22 ASN A 96 -7.196 -19.733 -15.175 1.00 64.35 H new ATOM 1525 N GLY A 97 -10.485 -19.386 -19.353 1.00 72.22 N ATOM 1526 CA GLY A 97 -11.261 -20.100 -20.350 1.00 64.55 C ATOM 1527 C GLY A 97 -11.343 -21.587 -20.065 1.00 53.11 C ATOM 1528 O GLY A 97 -10.760 -22.410 -20.771 1.00 3.30 O ATOM 0 H GLY A 97 -11.030 -18.783 -18.737 1.00 72.22 H new ATOM 0 HA2 GLY A 97 -12.268 -19.684 -20.388 1.00 64.55 H new ATOM 0 HA3 GLY A 97 -10.815 -19.945 -21.332 1.00 64.55 H new ATOM 1532 N PRO A 98 -12.082 -21.950 -19.006 1.00 52.12 N ATOM 1533 CA PRO A 98 -12.256 -23.349 -18.604 1.00 44.11 C ATOM 1534 C PRO A 98 -13.110 -24.135 -19.593 1.00 43.31 C ATOM 1535 O PRO A 98 -13.020 -25.361 -19.669 1.00 41.25 O ATOM 1536 CB PRO A 98 -12.964 -23.244 -17.251 1.00 50.13 C ATOM 1537 CG PRO A 98 -13.672 -21.934 -17.295 1.00 3.31 C ATOM 1538 CD PRO A 98 -12.806 -21.023 -18.120 1.00 42.42 C ATOM 0 HA PRO A 98 -11.306 -23.882 -18.563 1.00 44.11 H new ATOM 0 HB2 PRO A 98 -13.663 -24.067 -17.105 1.00 50.13 H new ATOM 0 HB3 PRO A 98 -12.251 -23.281 -16.427 1.00 50.13 H new ATOM 0 HG2 PRO A 98 -14.662 -22.040 -17.740 1.00 3.31 H new ATOM 0 HG3 PRO A 98 -13.815 -21.534 -16.291 1.00 3.31 H new ATOM 0 HD2 PRO A 98 -13.401 -20.308 -18.687 1.00 42.42 H new ATOM 0 HD3 PRO A 98 -12.122 -20.446 -17.497 1.00 42.42 H new ATOM 1546 N LEU A 99 -13.938 -23.422 -20.349 1.00 64.22 N ATOM 1547 CA LEU A 99 -14.808 -24.053 -21.335 1.00 33.31 C ATOM 1548 C LEU A 99 -14.011 -24.508 -22.553 1.00 74.24 C ATOM 1549 O LEU A 99 -12.937 -23.979 -22.836 1.00 71.35 O ATOM 1550 CB LEU A 99 -15.911 -23.084 -21.765 1.00 60.32 C ATOM 1551 CG LEU A 99 -17.054 -22.883 -20.770 1.00 20.45 C ATOM 1552 CD1 LEU A 99 -17.617 -21.475 -20.880 1.00 70.04 C ATOM 1553 CD2 LEU A 99 -18.148 -23.917 -20.998 1.00 3.54 C ATOM 0 H LEU A 99 -14.025 -22.407 -20.298 1.00 64.22 H new ATOM 0 HA LEU A 99 -15.263 -24.930 -20.874 1.00 33.31 H new ATOM 0 HB2 LEU A 99 -15.456 -22.114 -21.966 1.00 60.32 H new ATOM 0 HB3 LEU A 99 -16.333 -23.439 -22.705 1.00 60.32 H new ATOM 0 HG LEU A 99 -16.660 -23.016 -19.762 1.00 20.45 H new ATOM 0 HD11 LEU A 99 -18.430 -21.351 -20.164 1.00 70.04 H new ATOM 0 HD12 LEU A 99 -16.831 -20.751 -20.666 1.00 70.04 H new ATOM 0 HD13 LEU A 99 -17.995 -21.312 -21.889 1.00 70.04 H new ATOM 0 HD21 LEU A 99 -18.953 -23.759 -20.281 1.00 3.54 H new ATOM 0 HD22 LEU A 99 -18.539 -23.816 -22.011 1.00 3.54 H new ATOM 0 HD23 LEU A 99 -17.736 -24.918 -20.866 1.00 3.54 H new ATOM 1565 N GLU A 100 -14.547 -25.490 -23.271 1.00 60.55 N ATOM 1566 CA GLU A 100 -13.886 -26.015 -24.461 1.00 5.25 C ATOM 1567 C GLU A 100 -14.317 -25.247 -25.706 1.00 42.55 C ATOM 1568 O GLU A 100 -13.987 -25.628 -26.830 1.00 0.00 O ATOM 1569 CB GLU A 100 -14.199 -27.503 -24.631 1.00 51.34 C ATOM 1570 CG GLU A 100 -15.669 -27.789 -24.889 1.00 62.31 C ATOM 1571 CD GLU A 100 -15.928 -29.243 -25.234 1.00 40.24 C ATOM 1572 OE1 GLU A 100 -15.029 -29.884 -25.817 1.00 71.13 O ATOM 1573 OE2 GLU A 100 -17.031 -29.739 -24.921 1.00 45.11 O ATOM 0 H GLU A 100 -15.436 -25.938 -23.050 1.00 60.55 H new ATOM 0 HA GLU A 100 -12.811 -25.890 -24.333 1.00 5.25 H new ATOM 0 HB2 GLU A 100 -13.610 -27.898 -25.459 1.00 51.34 H new ATOM 0 HB3 GLU A 100 -13.885 -28.037 -23.734 1.00 51.34 H new ATOM 0 HG2 GLU A 100 -16.248 -27.520 -24.006 1.00 62.31 H new ATOM 0 HG3 GLU A 100 -16.021 -27.158 -25.705 1.00 62.31 H new ATOM 1580 N HIS A 101 -15.057 -24.162 -25.499 1.00 41.01 N ATOM 1581 CA HIS A 101 -15.534 -23.339 -26.605 1.00 31.10 C ATOM 1582 C HIS A 101 -16.387 -24.162 -27.566 1.00 14.15 C ATOM 1583 O HIS A 101 -16.947 -25.192 -27.187 1.00 50.42 O ATOM 1584 CB HIS A 101 -14.354 -22.721 -27.355 1.00 3.13 C ATOM 1585 CG HIS A 101 -14.733 -22.105 -28.666 1.00 14.31 C ATOM 1586 ND1 HIS A 101 -14.015 -22.302 -29.826 1.00 41.42 N ATOM 1587 CD2 HIS A 101 -15.765 -21.293 -28.997 1.00 3.10 C ATOM 1588 CE1 HIS A 101 -14.587 -21.636 -30.814 1.00 23.31 C ATOM 1589 NE2 HIS A 101 -15.651 -21.016 -30.337 1.00 40.02 N ATOM 0 H HIS A 101 -15.339 -23.832 -24.576 1.00 41.01 H new ATOM 0 HA HIS A 101 -16.150 -22.541 -26.191 1.00 31.10 H new ATOM 0 HB2 HIS A 101 -13.893 -21.960 -26.726 1.00 3.13 H new ATOM 0 HB3 HIS A 101 -13.602 -23.490 -27.529 1.00 3.13 H new ATOM 0 HD2 HIS A 101 -16.534 -20.931 -28.331 1.00 3.10 H new ATOM 0 HE1 HIS A 101 -14.243 -21.604 -31.837 1.00 23.31 H new ATOM 0 HE2 HIS A 101 -16.285 -20.427 -30.877 1.00 40.02 H new TER 1597 HIS A 101