USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 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 17 TYR OH : rot 90:sc= -1.42! USER MOD Set 1.2: A 43 LYS NZ :NH3+ -150:sc= 0.241 (180deg=-0.201) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.078 (180deg=-0.284) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 170:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.48 K(o=-1.5,f=-14!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.35) USER MOD Single : A 28 SER OG : rot 5:sc= -0.178 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 82:sc= 0.872 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 65 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5!) USER MOD Single : A 66 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.518 -6.007 4.634 1.00 44.23 N ATOM 2 CA MET A 1 9.476 -5.075 3.992 1.00 11.24 C ATOM 3 C MET A 1 8.770 -4.160 2.999 1.00 62.33 C ATOM 4 O MET A 1 9.219 -3.038 2.758 1.00 1.23 O ATOM 5 CB MET A 1 10.574 -5.865 3.273 1.00 31.32 C ATOM 6 CG MET A 1 11.607 -4.996 2.572 1.00 41.30 C ATOM 7 SD MET A 1 12.544 -3.971 3.720 1.00 74.32 S ATOM 8 CE MET A 1 13.610 -3.083 2.589 1.00 43.42 C ATOM 0 H1 MET A 1 8.971 -6.461 5.453 1.00 44.23 H new ATOM 0 H2 MET A 1 7.680 -5.479 4.951 1.00 44.23 H new ATOM 0 H3 MET A 1 8.230 -6.735 3.949 1.00 44.23 H new ATOM 0 HA MET A 1 9.921 -4.458 4.773 1.00 11.24 H new ATOM 0 HB2 MET A 1 11.082 -6.502 3.997 1.00 31.32 H new ATOM 0 HB3 MET A 1 10.111 -6.524 2.539 1.00 31.32 H new ATOM 0 HG2 MET A 1 12.294 -5.633 2.015 1.00 41.30 H new ATOM 0 HG3 MET A 1 11.106 -4.356 1.846 1.00 41.30 H new ATOM 0 HE1 MET A 1 14.253 -2.406 3.151 1.00 43.42 H new ATOM 0 HE2 MET A 1 14.226 -3.793 2.036 1.00 43.42 H new ATOM 0 HE3 MET A 1 13.001 -2.509 1.890 1.00 43.42 H new ATOM 20 N ILE A 2 7.659 -4.648 2.444 1.00 74.21 N ATOM 21 CA ILE A 2 6.912 -3.951 1.395 1.00 62.21 C ATOM 22 C ILE A 2 7.618 -4.099 0.051 1.00 63.13 C ATOM 23 O ILE A 2 8.832 -3.927 -0.059 1.00 35.10 O ATOM 24 CB ILE A 2 6.681 -2.449 1.697 1.00 64.21 C ATOM 25 CG1 ILE A 2 5.996 -2.265 3.056 1.00 62.45 C ATOM 26 CG2 ILE A 2 5.851 -1.801 0.595 1.00 73.33 C ATOM 27 CD1 ILE A 2 5.813 -0.816 3.456 1.00 14.40 C ATOM 0 H ILE A 2 7.250 -5.543 2.711 1.00 74.21 H new ATOM 0 HA ILE A 2 5.930 -4.423 1.359 1.00 62.21 H new ATOM 0 HB ILE A 2 7.654 -1.959 1.733 1.00 64.21 H new ATOM 0 HG12 ILE A 2 5.021 -2.751 3.030 1.00 62.45 H new ATOM 0 HG13 ILE A 2 6.584 -2.772 3.821 1.00 62.45 H new ATOM 0 HG21 ILE A 2 5.700 -0.746 0.826 1.00 73.33 H new ATOM 0 HG22 ILE A 2 6.375 -1.893 -0.357 1.00 73.33 H new ATOM 0 HG23 ILE A 2 4.884 -2.300 0.527 1.00 73.33 H new ATOM 0 HD11 ILE A 2 5.322 -0.766 4.428 1.00 14.40 H new ATOM 0 HD12 ILE A 2 6.786 -0.329 3.516 1.00 14.40 H new ATOM 0 HD13 ILE A 2 5.199 -0.308 2.713 1.00 14.40 H new ATOM 39 N PHE A 3 6.837 -4.432 -0.960 1.00 34.21 N ATOM 40 CA PHE A 3 7.351 -4.692 -2.298 1.00 40.04 C ATOM 41 C PHE A 3 6.332 -4.231 -3.334 1.00 11.31 C ATOM 42 O PHE A 3 5.167 -4.009 -2.997 1.00 41.24 O ATOM 43 CB PHE A 3 7.634 -6.187 -2.491 1.00 51.34 C ATOM 44 CG PHE A 3 8.735 -6.726 -1.622 1.00 0.11 C ATOM 45 CD1 PHE A 3 10.065 -6.508 -1.950 1.00 22.52 C ATOM 46 CD2 PHE A 3 8.440 -7.454 -0.482 1.00 24.10 C ATOM 47 CE1 PHE A 3 11.079 -7.006 -1.152 1.00 54.11 C ATOM 48 CE2 PHE A 3 9.447 -7.954 0.318 1.00 40.44 C ATOM 49 CZ PHE A 3 10.769 -7.731 -0.017 1.00 71.30 C ATOM 0 H PHE A 3 5.825 -4.531 -0.879 1.00 34.21 H new ATOM 0 HA PHE A 3 8.283 -4.142 -2.424 1.00 40.04 H new ATOM 0 HB2 PHE A 3 6.721 -6.747 -2.289 1.00 51.34 H new ATOM 0 HB3 PHE A 3 7.892 -6.364 -3.535 1.00 51.34 H new ATOM 0 HD1 PHE A 3 10.311 -5.944 -2.837 1.00 22.52 H new ATOM 0 HD2 PHE A 3 7.409 -7.633 -0.215 1.00 24.10 H new ATOM 0 HE1 PHE A 3 12.111 -6.829 -1.415 1.00 54.11 H new ATOM 0 HE2 PHE A 3 9.202 -8.519 1.205 1.00 40.44 H new ATOM 0 HZ PHE A 3 11.559 -8.123 0.607 1.00 71.30 H new ATOM 59 N PRO A 4 6.750 -4.053 -4.599 1.00 53.00 N ATOM 60 CA PRO A 4 5.826 -3.725 -5.687 1.00 72.23 C ATOM 61 C PRO A 4 4.763 -4.809 -5.851 1.00 53.52 C ATOM 62 O PRO A 4 5.070 -5.944 -6.222 1.00 35.21 O ATOM 63 CB PRO A 4 6.723 -3.657 -6.929 1.00 44.52 C ATOM 64 CG PRO A 4 8.101 -3.441 -6.399 1.00 15.42 C ATOM 65 CD PRO A 4 8.144 -4.140 -5.069 1.00 23.41 C ATOM 0 HA PRO A 4 5.284 -2.797 -5.505 1.00 72.23 H new ATOM 0 HB2 PRO A 4 6.663 -4.577 -7.510 1.00 44.52 H new ATOM 0 HB3 PRO A 4 6.422 -2.844 -7.589 1.00 44.52 H new ATOM 0 HG2 PRO A 4 8.849 -3.848 -7.079 1.00 15.42 H new ATOM 0 HG3 PRO A 4 8.315 -2.378 -6.289 1.00 15.42 H new ATOM 0 HD2 PRO A 4 8.472 -5.175 -5.168 1.00 23.41 H new ATOM 0 HD3 PRO A 4 8.833 -3.652 -4.379 1.00 23.41 H new ATOM 73 N GLY A 5 3.519 -4.460 -5.559 1.00 3.22 N ATOM 74 CA GLY A 5 2.450 -5.433 -5.592 1.00 31.44 C ATOM 75 C GLY A 5 1.820 -5.630 -4.228 1.00 44.42 C ATOM 76 O GLY A 5 0.780 -6.282 -4.102 1.00 3.31 O ATOM 0 H GLY A 5 3.231 -3.517 -5.299 1.00 3.22 H new ATOM 0 HA2 GLY A 5 1.687 -5.110 -6.300 1.00 31.44 H new ATOM 0 HA3 GLY A 5 2.838 -6.385 -5.953 1.00 31.44 H new ATOM 80 N ALA A 6 2.445 -5.060 -3.204 1.00 54.32 N ATOM 81 CA ALA A 6 1.929 -5.160 -1.850 1.00 2.33 C ATOM 82 C ALA A 6 0.962 -4.019 -1.564 1.00 33.53 C ATOM 83 O ALA A 6 1.112 -2.915 -2.096 1.00 63.34 O ATOM 84 CB ALA A 6 3.070 -5.154 -0.843 1.00 31.30 C ATOM 0 H ALA A 6 3.309 -4.525 -3.289 1.00 54.32 H new ATOM 0 HA ALA A 6 1.390 -6.103 -1.755 1.00 2.33 H new ATOM 0 HB1 ALA A 6 2.665 -5.230 0.166 1.00 31.30 H new ATOM 0 HB2 ALA A 6 3.728 -6.001 -1.034 1.00 31.30 H new ATOM 0 HB3 ALA A 6 3.635 -4.227 -0.939 1.00 31.30 H new ATOM 90 N THR A 7 -0.040 -4.296 -0.745 1.00 21.33 N ATOM 91 CA THR A 7 -1.017 -3.291 -0.362 1.00 20.31 C ATOM 92 C THR A 7 -0.555 -2.561 0.894 1.00 21.52 C ATOM 93 O THR A 7 -0.137 -3.190 1.868 1.00 24.24 O ATOM 94 CB THR A 7 -2.389 -3.934 -0.093 1.00 62.12 C ATOM 95 OG1 THR A 7 -2.696 -4.877 -1.130 1.00 64.22 O ATOM 96 CG2 THR A 7 -3.483 -2.876 -0.030 1.00 43.02 C ATOM 0 H THR A 7 -0.198 -5.215 -0.331 1.00 21.33 H new ATOM 0 HA THR A 7 -1.111 -2.584 -1.186 1.00 20.31 H new ATOM 0 HB THR A 7 -2.343 -4.445 0.869 1.00 62.12 H new ATOM 0 HG1 THR A 7 -3.569 -5.285 -0.953 1.00 64.22 H new ATOM 0 HG21 THR A 7 -4.443 -3.356 0.161 1.00 43.02 H new ATOM 0 HG22 THR A 7 -3.263 -2.172 0.773 1.00 43.02 H new ATOM 0 HG23 THR A 7 -3.527 -2.341 -0.979 1.00 43.02 H new ATOM 104 N VAL A 8 -0.627 -1.241 0.869 1.00 41.03 N ATOM 105 CA VAL A 8 -0.212 -0.440 2.007 1.00 10.23 C ATOM 106 C VAL A 8 -1.307 0.530 2.409 1.00 62.45 C ATOM 107 O VAL A 8 -2.128 0.937 1.584 1.00 4.03 O ATOM 108 CB VAL A 8 1.083 0.346 1.726 1.00 32.41 C ATOM 109 CG1 VAL A 8 2.274 -0.596 1.622 1.00 25.32 C ATOM 110 CG2 VAL A 8 0.944 1.182 0.461 1.00 44.03 C ATOM 0 H VAL A 8 -0.969 -0.702 0.073 1.00 41.03 H new ATOM 0 HA VAL A 8 -0.018 -1.136 2.823 1.00 10.23 H new ATOM 0 HB VAL A 8 1.257 1.023 2.562 1.00 32.41 H new ATOM 0 HG11 VAL A 8 3.178 -0.020 1.423 1.00 25.32 H new ATOM 0 HG12 VAL A 8 2.390 -1.141 2.559 1.00 25.32 H new ATOM 0 HG13 VAL A 8 2.109 -1.303 0.809 1.00 25.32 H new ATOM 0 HG21 VAL A 8 1.870 1.728 0.282 1.00 44.03 H new ATOM 0 HG22 VAL A 8 0.739 0.528 -0.387 1.00 44.03 H new ATOM 0 HG23 VAL A 8 0.123 1.889 0.580 1.00 44.03 H new ATOM 120 N ARG A 9 -1.318 0.888 3.677 1.00 62.31 N ATOM 121 CA ARG A 9 -2.295 1.820 4.194 1.00 11.45 C ATOM 122 C ARG A 9 -1.600 3.127 4.537 1.00 35.45 C ATOM 123 O ARG A 9 -0.567 3.133 5.211 1.00 3.55 O ATOM 124 CB ARG A 9 -2.987 1.219 5.420 1.00 3.24 C ATOM 125 CG ARG A 9 -4.094 2.081 6.003 1.00 64.15 C ATOM 126 CD ARG A 9 -4.820 1.345 7.117 1.00 64.23 C ATOM 127 NE ARG A 9 -5.440 0.109 6.634 1.00 25.41 N ATOM 128 CZ ARG A 9 -5.343 -1.068 7.247 1.00 65.05 C ATOM 129 NH1 ARG A 9 -4.598 -1.201 8.336 1.00 65.11 N ATOM 130 NH2 ARG A 9 -5.961 -2.126 6.745 1.00 23.11 N ATOM 0 H ARG A 9 -0.655 0.544 4.372 1.00 62.31 H new ATOM 0 HA ARG A 9 -3.060 2.019 3.443 1.00 11.45 H new ATOM 0 HB2 ARG A 9 -3.404 0.249 5.148 1.00 3.24 H new ATOM 0 HB3 ARG A 9 -2.239 1.039 6.192 1.00 3.24 H new ATOM 0 HG2 ARG A 9 -3.673 3.010 6.388 1.00 64.15 H new ATOM 0 HG3 ARG A 9 -4.801 2.352 5.219 1.00 64.15 H new ATOM 0 HD2 ARG A 9 -4.118 1.111 7.917 1.00 64.23 H new ATOM 0 HD3 ARG A 9 -5.585 1.994 7.544 1.00 64.23 H new ATOM 0 HE ARG A 9 -5.982 0.153 5.771 1.00 25.41 H new ATOM 0 HH11 ARG A 9 -4.094 -0.397 8.710 1.00 65.11 H new ATOM 0 HH12 ARG A 9 -4.529 -2.107 8.799 1.00 65.11 H new ATOM 0 HH21 ARG A 9 -6.510 -2.038 5.890 1.00 23.11 H new ATOM 0 HH22 ARG A 9 -5.888 -3.029 7.213 1.00 23.11 H new ATOM 144 N VAL A 10 -2.145 4.224 4.044 1.00 52.12 N ATOM 145 CA VAL A 10 -1.524 5.524 4.223 1.00 24.25 C ATOM 146 C VAL A 10 -1.728 6.033 5.644 1.00 44.31 C ATOM 147 O VAL A 10 -2.804 6.516 5.998 1.00 31.13 O ATOM 148 CB VAL A 10 -2.079 6.555 3.218 1.00 42.33 C ATOM 149 CG1 VAL A 10 -1.343 7.882 3.334 1.00 63.13 C ATOM 150 CG2 VAL A 10 -1.992 6.013 1.801 1.00 12.12 C ATOM 0 H VAL A 10 -3.017 4.241 3.516 1.00 52.12 H new ATOM 0 HA VAL A 10 -0.457 5.400 4.040 1.00 24.25 H new ATOM 0 HB VAL A 10 -3.128 6.733 3.457 1.00 42.33 H new ATOM 0 HG11 VAL A 10 -1.754 8.590 2.615 1.00 63.13 H new ATOM 0 HG12 VAL A 10 -1.463 8.278 4.342 1.00 63.13 H new ATOM 0 HG13 VAL A 10 -0.284 7.730 3.128 1.00 63.13 H new ATOM 0 HG21 VAL A 10 -2.387 6.752 1.104 1.00 12.12 H new ATOM 0 HG22 VAL A 10 -0.951 5.803 1.555 1.00 12.12 H new ATOM 0 HG23 VAL A 10 -2.575 5.095 1.726 1.00 12.12 H new ATOM 160 N THR A 11 -0.686 5.899 6.457 1.00 1.25 N ATOM 161 CA THR A 11 -0.704 6.402 7.823 1.00 62.31 C ATOM 162 C THR A 11 -0.438 7.905 7.818 1.00 31.52 C ATOM 163 O THR A 11 -0.629 8.593 8.819 1.00 0.44 O ATOM 164 CB THR A 11 0.361 5.690 8.685 1.00 12.21 C ATOM 165 OG1 THR A 11 0.391 4.291 8.366 1.00 32.54 O ATOM 166 CG2 THR A 11 0.066 5.859 10.168 1.00 64.44 C ATOM 0 H THR A 11 0.186 5.443 6.190 1.00 1.25 H new ATOM 0 HA THR A 11 -1.686 6.203 8.252 1.00 62.31 H new ATOM 0 HB THR A 11 1.329 6.142 8.467 1.00 12.21 H new ATOM 0 HG1 THR A 11 1.169 3.875 8.792 1.00 32.54 H new ATOM 0 HG21 THR A 11 0.831 5.348 10.752 1.00 64.44 H new ATOM 0 HG22 THR A 11 0.065 6.919 10.420 1.00 64.44 H new ATOM 0 HG23 THR A 11 -0.910 5.431 10.396 1.00 64.44 H new ATOM 174 N ASN A 12 0.003 8.399 6.667 1.00 32.24 N ATOM 175 CA ASN A 12 0.273 9.814 6.479 1.00 11.32 C ATOM 176 C ASN A 12 -1.033 10.606 6.503 1.00 3.32 C ATOM 177 O ASN A 12 -1.833 10.540 5.571 1.00 2.44 O ATOM 178 CB ASN A 12 1.012 10.025 5.149 1.00 5.20 C ATOM 179 CG ASN A 12 1.468 11.459 4.929 1.00 71.01 C ATOM 180 OD1 ASN A 12 0.828 12.406 5.374 1.00 22.10 O ATOM 181 ND2 ASN A 12 2.581 11.625 4.232 1.00 34.45 N ATOM 0 H ASN A 12 0.182 7.829 5.841 1.00 32.24 H new ATOM 0 HA ASN A 12 0.904 10.173 7.292 1.00 11.32 H new ATOM 0 HB2 ASN A 12 1.880 9.367 5.117 1.00 5.20 H new ATOM 0 HB3 ASN A 12 0.358 9.730 4.328 1.00 5.20 H new ATOM 0 HD21 ASN A 12 2.933 12.565 4.049 1.00 34.45 H new ATOM 0 HD22 ASN A 12 3.087 10.813 3.878 1.00 34.45 H new ATOM 188 N VAL A 13 -1.243 11.339 7.589 1.00 64.43 N ATOM 189 CA VAL A 13 -2.445 12.149 7.759 1.00 32.42 C ATOM 190 C VAL A 13 -2.230 13.552 7.201 1.00 23.54 C ATOM 191 O VAL A 13 -3.176 14.320 7.009 1.00 14.32 O ATOM 192 CB VAL A 13 -2.841 12.233 9.250 1.00 51.21 C ATOM 193 CG1 VAL A 13 -1.802 13.008 10.048 1.00 44.23 C ATOM 194 CG2 VAL A 13 -4.229 12.836 9.418 1.00 13.10 C ATOM 0 H VAL A 13 -0.591 11.390 8.372 1.00 64.43 H new ATOM 0 HA VAL A 13 -3.254 11.670 7.208 1.00 32.42 H new ATOM 0 HB VAL A 13 -2.874 11.217 9.644 1.00 51.21 H new ATOM 0 HG11 VAL A 13 -2.105 13.052 11.094 1.00 44.23 H new ATOM 0 HG12 VAL A 13 -0.837 12.508 9.971 1.00 44.23 H new ATOM 0 HG13 VAL A 13 -1.719 14.020 9.651 1.00 44.23 H new ATOM 0 HG21 VAL A 13 -4.480 12.882 10.478 1.00 13.10 H new ATOM 0 HG22 VAL A 13 -4.242 13.842 8.998 1.00 13.10 H new ATOM 0 HG23 VAL A 13 -4.960 12.216 8.899 1.00 13.10 H new ATOM 204 N ASP A 14 -0.973 13.873 6.940 1.00 72.50 N ATOM 205 CA ASP A 14 -0.605 15.169 6.382 1.00 54.21 C ATOM 206 C ASP A 14 -1.163 15.320 4.972 1.00 1.34 C ATOM 207 O ASP A 14 -1.587 16.406 4.571 1.00 72.00 O ATOM 208 CB ASP A 14 0.919 15.335 6.369 1.00 41.00 C ATOM 209 CG ASP A 14 1.365 16.615 5.690 1.00 41.30 C ATOM 210 OD1 ASP A 14 0.980 17.707 6.157 1.00 62.44 O ATOM 211 OD2 ASP A 14 2.116 16.534 4.693 1.00 33.35 O ATOM 0 H ASP A 14 -0.183 13.250 7.107 1.00 72.50 H new ATOM 0 HA ASP A 14 -1.034 15.948 7.012 1.00 54.21 H new ATOM 0 HB2 ASP A 14 1.290 15.325 7.394 1.00 41.00 H new ATOM 0 HB3 ASP A 14 1.368 14.483 5.859 1.00 41.00 H new ATOM 216 N ASP A 15 -1.177 14.218 4.232 1.00 70.33 N ATOM 217 CA ASP A 15 -1.724 14.207 2.878 1.00 73.01 C ATOM 218 C ASP A 15 -3.253 14.089 2.934 1.00 62.14 C ATOM 219 O ASP A 15 -3.849 14.111 4.012 1.00 15.53 O ATOM 220 CB ASP A 15 -1.111 13.056 2.064 1.00 22.01 C ATOM 221 CG ASP A 15 -1.329 13.214 0.568 1.00 72.34 C ATOM 222 OD1 ASP A 15 -0.495 13.864 -0.096 1.00 31.31 O ATOM 223 OD2 ASP A 15 -2.346 12.705 0.059 1.00 63.35 O ATOM 0 H ASP A 15 -0.815 13.318 4.546 1.00 70.33 H new ATOM 0 HA ASP A 15 -1.469 15.143 2.381 1.00 73.01 H new ATOM 0 HB2 ASP A 15 -0.042 13.002 2.267 1.00 22.01 H new ATOM 0 HB3 ASP A 15 -1.546 12.112 2.393 1.00 22.01 H new ATOM 228 N THR A 16 -3.883 13.962 1.778 1.00 21.25 N ATOM 229 CA THR A 16 -5.334 13.926 1.689 1.00 1.11 C ATOM 230 C THR A 16 -5.843 12.485 1.700 1.00 64.12 C ATOM 231 O THR A 16 -7.000 12.221 2.035 1.00 65.15 O ATOM 232 CB THR A 16 -5.809 14.636 0.405 1.00 3.41 C ATOM 233 OG1 THR A 16 -5.133 15.894 0.283 1.00 31.12 O ATOM 234 CG2 THR A 16 -7.313 14.873 0.432 1.00 31.23 C ATOM 0 H THR A 16 -3.407 13.881 0.880 1.00 21.25 H new ATOM 0 HA THR A 16 -5.739 14.446 2.557 1.00 1.11 H new ATOM 0 HB THR A 16 -5.577 13.998 -0.448 1.00 3.41 H new ATOM 0 HG1 THR A 16 -5.431 16.348 -0.533 1.00 31.12 H new ATOM 0 HG21 THR A 16 -7.619 15.375 -0.486 1.00 31.23 H new ATOM 0 HG22 THR A 16 -7.831 13.917 0.513 1.00 31.23 H new ATOM 0 HG23 THR A 16 -7.568 15.497 1.289 1.00 31.23 H new ATOM 242 N TYR A 17 -4.964 11.552 1.351 1.00 34.41 N ATOM 243 CA TYR A 17 -5.334 10.141 1.271 1.00 21.41 C ATOM 244 C TYR A 17 -5.109 9.431 2.605 1.00 74.34 C ATOM 245 O TYR A 17 -4.669 8.282 2.646 1.00 0.01 O ATOM 246 CB TYR A 17 -4.539 9.449 0.161 1.00 30.32 C ATOM 247 CG TYR A 17 -4.680 10.121 -1.184 1.00 64.50 C ATOM 248 CD1 TYR A 17 -5.899 10.150 -1.846 1.00 4.12 C ATOM 249 CD2 TYR A 17 -3.592 10.734 -1.783 1.00 1.12 C ATOM 250 CE1 TYR A 17 -6.027 10.776 -3.071 1.00 12.32 C ATOM 251 CE2 TYR A 17 -3.711 11.359 -3.007 1.00 73.54 C ATOM 252 CZ TYR A 17 -4.929 11.379 -3.647 1.00 53.00 C ATOM 253 OH TYR A 17 -5.049 12.009 -4.862 1.00 61.00 O ATOM 0 H TYR A 17 -3.990 11.746 1.119 1.00 34.41 H new ATOM 0 HA TYR A 17 -6.397 10.084 1.037 1.00 21.41 H new ATOM 0 HB2 TYR A 17 -3.485 9.426 0.439 1.00 30.32 H new ATOM 0 HB3 TYR A 17 -4.870 8.414 0.078 1.00 30.32 H new ATOM 0 HD1 TYR A 17 -6.760 9.677 -1.397 1.00 4.12 H new ATOM 0 HD2 TYR A 17 -2.635 10.722 -1.283 1.00 1.12 H new ATOM 0 HE1 TYR A 17 -6.982 10.793 -3.575 1.00 12.32 H new ATOM 0 HE2 TYR A 17 -2.852 11.831 -3.461 1.00 73.54 H new ATOM 0 HH TYR A 17 -5.287 12.949 -4.721 1.00 61.00 H new ATOM 263 N TYR A 18 -5.448 10.117 3.689 1.00 35.03 N ATOM 264 CA TYR A 18 -5.340 9.560 5.032 1.00 43.32 C ATOM 265 C TYR A 18 -6.157 8.276 5.162 1.00 3.54 C ATOM 266 O TYR A 18 -7.304 8.223 4.726 1.00 60.30 O ATOM 267 CB TYR A 18 -5.807 10.597 6.064 1.00 31.43 C ATOM 268 CG TYR A 18 -6.089 10.033 7.448 1.00 64.42 C ATOM 269 CD1 TYR A 18 -5.071 9.508 8.238 1.00 4.21 C ATOM 270 CD2 TYR A 18 -7.384 10.020 7.959 1.00 61.05 C ATOM 271 CE1 TYR A 18 -5.335 8.993 9.497 1.00 73.34 C ATOM 272 CE2 TYR A 18 -7.653 9.507 9.216 1.00 12.23 C ATOM 273 CZ TYR A 18 -6.627 8.994 9.979 1.00 34.15 C ATOM 274 OH TYR A 18 -6.895 8.484 11.231 1.00 1.04 O ATOM 0 H TYR A 18 -5.805 11.072 3.663 1.00 35.03 H new ATOM 0 HA TYR A 18 -4.295 9.312 5.220 1.00 43.32 H new ATOM 0 HB2 TYR A 18 -5.045 11.372 6.151 1.00 31.43 H new ATOM 0 HB3 TYR A 18 -6.711 11.079 5.692 1.00 31.43 H new ATOM 0 HD1 TYR A 18 -4.058 9.502 7.864 1.00 4.21 H new ATOM 0 HD2 TYR A 18 -8.193 10.417 7.364 1.00 61.05 H new ATOM 0 HE1 TYR A 18 -4.532 8.592 10.098 1.00 73.34 H new ATOM 0 HE2 TYR A 18 -8.663 9.509 9.597 1.00 12.23 H new ATOM 0 HH TYR A 18 -7.854 8.562 11.418 1.00 1.04 H new ATOM 284 N ARG A 19 -5.519 7.247 5.736 1.00 71.33 N ATOM 285 CA ARG A 19 -6.121 5.934 6.033 1.00 70.33 C ATOM 286 C ARG A 19 -6.641 5.224 4.781 1.00 54.53 C ATOM 287 O ARG A 19 -7.376 4.243 4.881 1.00 34.32 O ATOM 288 CB ARG A 19 -7.223 6.017 7.112 1.00 30.44 C ATOM 289 CG ARG A 19 -8.546 6.592 6.636 1.00 52.21 C ATOM 290 CD ARG A 19 -9.604 6.535 7.721 1.00 32.04 C ATOM 291 NE ARG A 19 -10.840 7.194 7.310 1.00 12.22 N ATOM 292 CZ ARG A 19 -11.952 7.214 8.041 1.00 25.24 C ATOM 293 NH1 ARG A 19 -12.034 6.493 9.155 1.00 3.43 N ATOM 294 NH2 ARG A 19 -12.994 7.925 7.633 1.00 70.23 N ATOM 0 H ARG A 19 -4.540 7.304 6.016 1.00 71.33 H new ATOM 0 HA ARG A 19 -5.309 5.329 6.437 1.00 70.33 H new ATOM 0 HB2 ARG A 19 -7.400 5.017 7.507 1.00 30.44 H new ATOM 0 HB3 ARG A 19 -6.856 6.625 7.939 1.00 30.44 H new ATOM 0 HG2 ARG A 19 -8.402 7.626 6.322 1.00 52.21 H new ATOM 0 HG3 ARG A 19 -8.890 6.039 5.762 1.00 52.21 H new ATOM 0 HD2 ARG A 19 -9.813 5.495 7.970 1.00 32.04 H new ATOM 0 HD3 ARG A 19 -9.223 7.009 8.625 1.00 32.04 H new ATOM 0 HE ARG A 19 -10.852 7.668 6.407 1.00 12.22 H new ATOM 0 HH11 ARG A 19 -11.243 5.922 9.452 1.00 3.43 H new ATOM 0 HH12 ARG A 19 -12.888 6.511 9.712 1.00 3.43 H new ATOM 0 HH21 ARG A 19 -12.941 8.454 6.762 1.00 70.23 H new ATOM 0 HH22 ARG A 19 -13.848 7.943 8.190 1.00 70.23 H new ATOM 308 N PHE A 20 -6.233 5.690 3.607 1.00 35.44 N ATOM 309 CA PHE A 20 -6.570 5.002 2.370 1.00 51.42 C ATOM 310 C PHE A 20 -5.635 3.821 2.157 1.00 33.30 C ATOM 311 O PHE A 20 -4.524 3.791 2.688 1.00 24.34 O ATOM 312 CB PHE A 20 -6.506 5.946 1.167 1.00 23.45 C ATOM 313 CG PHE A 20 -7.746 6.773 0.973 1.00 73.44 C ATOM 314 CD1 PHE A 20 -8.012 7.858 1.791 1.00 12.32 C ATOM 315 CD2 PHE A 20 -8.645 6.463 -0.036 1.00 12.03 C ATOM 316 CE1 PHE A 20 -9.148 8.622 1.609 1.00 31.54 C ATOM 317 CE2 PHE A 20 -9.786 7.222 -0.225 1.00 51.03 C ATOM 318 CZ PHE A 20 -10.039 8.304 0.601 1.00 30.40 C ATOM 0 H PHE A 20 -5.673 6.534 3.487 1.00 35.44 H new ATOM 0 HA PHE A 20 -7.595 4.640 2.458 1.00 51.42 H new ATOM 0 HB2 PHE A 20 -5.652 6.613 1.286 1.00 23.45 H new ATOM 0 HB3 PHE A 20 -6.329 5.359 0.266 1.00 23.45 H new ATOM 0 HD1 PHE A 20 -7.322 8.110 2.582 1.00 12.32 H new ATOM 0 HD2 PHE A 20 -8.452 5.619 -0.682 1.00 12.03 H new ATOM 0 HE1 PHE A 20 -9.340 9.467 2.254 1.00 31.54 H new ATOM 0 HE2 PHE A 20 -10.478 6.971 -1.015 1.00 51.03 H new ATOM 0 HZ PHE A 20 -10.930 8.898 0.458 1.00 30.40 H new ATOM 328 N GLU A 21 -6.089 2.853 1.383 1.00 43.11 N ATOM 329 CA GLU A 21 -5.318 1.647 1.130 1.00 71.43 C ATOM 330 C GLU A 21 -5.018 1.526 -0.359 1.00 74.22 C ATOM 331 O GLU A 21 -5.934 1.424 -1.178 1.00 63.33 O ATOM 332 CB GLU A 21 -6.083 0.419 1.641 1.00 64.32 C ATOM 333 CG GLU A 21 -6.436 0.507 3.120 1.00 32.32 C ATOM 334 CD GLU A 21 -7.356 -0.605 3.579 1.00 72.42 C ATOM 335 OE1 GLU A 21 -8.562 -0.542 3.283 1.00 25.40 O ATOM 336 OE2 GLU A 21 -6.880 -1.539 4.261 1.00 73.11 O ATOM 0 H GLU A 21 -6.995 2.878 0.915 1.00 43.11 H new ATOM 0 HA GLU A 21 -4.370 1.704 1.665 1.00 71.43 H new ATOM 0 HB2 GLU A 21 -6.999 0.302 1.062 1.00 64.32 H new ATOM 0 HB3 GLU A 21 -5.481 -0.474 1.470 1.00 64.32 H new ATOM 0 HG2 GLU A 21 -5.519 0.478 3.709 1.00 32.32 H new ATOM 0 HG3 GLU A 21 -6.911 1.468 3.317 1.00 32.32 H new ATOM 343 N GLY A 22 -3.737 1.550 -0.708 1.00 13.24 N ATOM 344 CA GLY A 22 -3.353 1.565 -2.105 1.00 2.43 C ATOM 345 C GLY A 22 -2.359 0.477 -2.443 1.00 71.10 C ATOM 346 O GLY A 22 -1.902 -0.254 -1.560 1.00 22.25 O ATOM 0 H GLY A 22 -2.959 1.559 -0.049 1.00 13.24 H new ATOM 0 HA2 GLY A 22 -4.242 1.446 -2.724 1.00 2.43 H new ATOM 0 HA3 GLY A 22 -2.922 2.536 -2.350 1.00 2.43 H new ATOM 350 N LEU A 23 -2.009 0.373 -3.715 1.00 21.43 N ATOM 351 CA LEU A 23 -1.115 -0.676 -4.168 1.00 10.14 C ATOM 352 C LEU A 23 0.249 -0.096 -4.518 1.00 73.04 C ATOM 353 O LEU A 23 0.351 0.810 -5.346 1.00 71.12 O ATOM 354 CB LEU A 23 -1.713 -1.381 -5.387 1.00 2.12 C ATOM 355 CG LEU A 23 -0.995 -2.660 -5.816 1.00 54.42 C ATOM 356 CD1 LEU A 23 -1.167 -3.743 -4.765 1.00 33.11 C ATOM 357 CD2 LEU A 23 -1.511 -3.139 -7.163 1.00 42.51 C ATOM 0 H LEU A 23 -2.331 1.002 -4.450 1.00 21.43 H new ATOM 0 HA LEU A 23 -0.989 -1.400 -3.363 1.00 10.14 H new ATOM 0 HB2 LEU A 23 -2.754 -1.622 -5.173 1.00 2.12 H new ATOM 0 HB3 LEU A 23 -1.713 -0.685 -6.226 1.00 2.12 H new ATOM 0 HG LEU A 23 0.068 -2.440 -5.916 1.00 54.42 H new ATOM 0 HD11 LEU A 23 -0.650 -4.647 -5.086 1.00 33.11 H new ATOM 0 HD12 LEU A 23 -0.748 -3.402 -3.819 1.00 33.11 H new ATOM 0 HD13 LEU A 23 -2.228 -3.959 -4.635 1.00 33.11 H new ATOM 0 HD21 LEU A 23 -0.987 -4.051 -7.450 1.00 42.51 H new ATOM 0 HD22 LEU A 23 -2.580 -3.342 -7.092 1.00 42.51 H new ATOM 0 HD23 LEU A 23 -1.337 -2.369 -7.914 1.00 42.51 H new ATOM 369 N VAL A 24 1.296 -0.606 -3.883 1.00 13.33 N ATOM 370 CA VAL A 24 2.651 -0.158 -4.177 1.00 13.41 C ATOM 371 C VAL A 24 3.046 -0.584 -5.579 1.00 31.43 C ATOM 372 O VAL A 24 3.019 -1.767 -5.911 1.00 3.32 O ATOM 373 CB VAL A 24 3.678 -0.711 -3.169 1.00 30.12 C ATOM 374 CG1 VAL A 24 5.071 -0.187 -3.481 1.00 41.22 C ATOM 375 CG2 VAL A 24 3.282 -0.345 -1.752 1.00 71.34 C ATOM 0 H VAL A 24 1.234 -1.327 -3.164 1.00 13.33 H new ATOM 0 HA VAL A 24 2.655 0.929 -4.099 1.00 13.41 H new ATOM 0 HB VAL A 24 3.691 -1.797 -3.256 1.00 30.12 H new ATOM 0 HG11 VAL A 24 5.781 -0.589 -2.758 1.00 41.22 H new ATOM 0 HG12 VAL A 24 5.360 -0.497 -4.485 1.00 41.22 H new ATOM 0 HG13 VAL A 24 5.072 0.901 -3.424 1.00 41.22 H new ATOM 0 HG21 VAL A 24 4.018 -0.744 -1.054 1.00 71.34 H new ATOM 0 HG22 VAL A 24 3.240 0.740 -1.655 1.00 71.34 H new ATOM 0 HG23 VAL A 24 2.303 -0.768 -1.527 1.00 71.34 H new ATOM 385 N GLN A 25 3.396 0.387 -6.401 1.00 22.25 N ATOM 386 CA GLN A 25 3.753 0.116 -7.784 1.00 15.15 C ATOM 387 C GLN A 25 5.244 -0.114 -7.925 1.00 44.53 C ATOM 388 O GLN A 25 5.695 -0.823 -8.825 1.00 31.24 O ATOM 389 CB GLN A 25 3.312 1.269 -8.680 1.00 15.53 C ATOM 390 CG GLN A 25 1.811 1.307 -8.918 1.00 61.32 C ATOM 391 CD GLN A 25 1.300 0.039 -9.574 1.00 13.11 C ATOM 392 OE1 GLN A 25 1.253 -0.064 -10.798 1.00 30.52 O ATOM 393 NE2 GLN A 25 0.920 -0.936 -8.765 1.00 13.40 N ATOM 0 H GLN A 25 3.441 1.371 -6.137 1.00 22.25 H new ATOM 0 HA GLN A 25 3.237 -0.792 -8.095 1.00 15.15 H new ATOM 0 HB2 GLN A 25 3.625 2.211 -8.229 1.00 15.53 H new ATOM 0 HB3 GLN A 25 3.823 1.190 -9.640 1.00 15.53 H new ATOM 0 HG2 GLN A 25 1.298 1.454 -7.967 1.00 61.32 H new ATOM 0 HG3 GLN A 25 1.567 2.163 -9.547 1.00 61.32 H new ATOM 0 HE21 GLN A 25 0.975 -0.811 -7.754 1.00 13.40 H new ATOM 0 HE22 GLN A 25 0.572 -1.813 -9.152 1.00 13.40 H new ATOM 402 N ARG A 26 5.997 0.489 -7.025 1.00 24.41 N ATOM 403 CA ARG A 26 7.442 0.380 -7.024 1.00 32.00 C ATOM 404 C ARG A 26 8.002 0.929 -5.723 1.00 51.21 C ATOM 405 O ARG A 26 7.557 1.966 -5.225 1.00 1.33 O ATOM 406 CB ARG A 26 8.047 1.108 -8.230 1.00 73.04 C ATOM 407 CG ARG A 26 7.583 2.548 -8.382 1.00 0.14 C ATOM 408 CD ARG A 26 8.049 3.132 -9.700 1.00 60.44 C ATOM 409 NE ARG A 26 7.512 4.469 -9.938 1.00 0.20 N ATOM 410 CZ ARG A 26 6.981 4.856 -11.095 1.00 41.20 C ATOM 411 NH1 ARG A 26 6.880 3.998 -12.104 1.00 53.43 N ATOM 412 NH2 ARG A 26 6.543 6.095 -11.239 1.00 20.05 N ATOM 0 H ARG A 26 5.623 1.069 -6.274 1.00 24.41 H new ATOM 0 HA ARG A 26 7.712 -0.673 -7.104 1.00 32.00 H new ATOM 0 HB2 ARG A 26 9.133 1.095 -8.141 1.00 73.04 H new ATOM 0 HB3 ARG A 26 7.795 0.558 -9.137 1.00 73.04 H new ATOM 0 HG2 ARG A 26 6.495 2.591 -8.325 1.00 0.14 H new ATOM 0 HG3 ARG A 26 7.969 3.147 -7.558 1.00 0.14 H new ATOM 0 HD2 ARG A 26 9.138 3.174 -9.711 1.00 60.44 H new ATOM 0 HD3 ARG A 26 7.747 2.472 -10.513 1.00 60.44 H new ATOM 0 HE ARG A 26 7.546 5.144 -9.174 1.00 0.20 H new ATOM 0 HH11 ARG A 26 7.210 3.039 -11.993 1.00 53.43 H new ATOM 0 HH12 ARG A 26 6.472 4.298 -12.990 1.00 53.43 H new ATOM 0 HH21 ARG A 26 6.612 6.754 -10.463 1.00 20.05 H new ATOM 0 HH22 ARG A 26 6.136 6.392 -12.126 1.00 20.05 H new ATOM 426 N VAL A 27 8.940 0.194 -5.160 1.00 43.23 N ATOM 427 CA VAL A 27 9.598 0.587 -3.922 1.00 45.30 C ATOM 428 C VAL A 27 10.998 1.117 -4.218 1.00 50.12 C ATOM 429 O VAL A 27 11.629 0.715 -5.197 1.00 5.43 O ATOM 430 CB VAL A 27 9.698 -0.608 -2.940 1.00 62.50 C ATOM 431 CG1 VAL A 27 10.289 -0.178 -1.607 1.00 35.55 C ATOM 432 CG2 VAL A 27 8.338 -1.251 -2.730 1.00 51.33 C ATOM 0 H VAL A 27 9.270 -0.692 -5.544 1.00 43.23 H new ATOM 0 HA VAL A 27 8.999 1.371 -3.458 1.00 45.30 H new ATOM 0 HB VAL A 27 10.366 -1.345 -3.386 1.00 62.50 H new ATOM 0 HG11 VAL A 27 10.346 -1.038 -0.940 1.00 35.55 H new ATOM 0 HG12 VAL A 27 11.289 0.225 -1.766 1.00 35.55 H new ATOM 0 HG13 VAL A 27 9.656 0.588 -1.158 1.00 35.55 H new ATOM 0 HG21 VAL A 27 8.434 -2.087 -2.037 1.00 51.33 H new ATOM 0 HG22 VAL A 27 7.647 -0.515 -2.318 1.00 51.33 H new ATOM 0 HG23 VAL A 27 7.955 -1.613 -3.684 1.00 51.33 H new ATOM 442 N SER A 28 11.467 2.026 -3.383 1.00 15.04 N ATOM 443 CA SER A 28 12.818 2.544 -3.484 1.00 51.24 C ATOM 444 C SER A 28 13.413 2.675 -2.087 1.00 54.11 C ATOM 445 O SER A 28 12.762 2.321 -1.101 1.00 24.33 O ATOM 446 CB SER A 28 12.823 3.889 -4.216 1.00 31.23 C ATOM 447 OG SER A 28 11.797 4.741 -3.730 1.00 33.32 O ATOM 0 H SER A 28 10.923 2.425 -2.618 1.00 15.04 H new ATOM 0 HA SER A 28 13.430 1.853 -4.063 1.00 51.24 H new ATOM 0 HB2 SER A 28 13.792 4.372 -4.088 1.00 31.23 H new ATOM 0 HB3 SER A 28 12.687 3.725 -5.285 1.00 31.23 H new ATOM 0 HG SER A 28 11.345 4.311 -2.975 1.00 33.32 H new ATOM 453 N ASP A 29 14.631 3.182 -1.998 1.00 71.14 N ATOM 454 CA ASP A 29 15.315 3.299 -0.721 1.00 64.45 C ATOM 455 C ASP A 29 14.768 4.468 0.077 1.00 14.32 C ATOM 456 O ASP A 29 15.317 5.571 0.065 1.00 31.20 O ATOM 457 CB ASP A 29 16.825 3.441 -0.922 1.00 62.32 C ATOM 458 CG ASP A 29 17.468 2.147 -1.380 1.00 42.20 C ATOM 459 OD1 ASP A 29 17.440 1.857 -2.596 1.00 15.41 O ATOM 460 OD2 ASP A 29 18.004 1.409 -0.526 1.00 51.22 O ATOM 0 H ASP A 29 15.168 3.520 -2.797 1.00 71.14 H new ATOM 0 HA ASP A 29 15.133 2.385 -0.156 1.00 64.45 H new ATOM 0 HB2 ASP A 29 17.020 4.221 -1.658 1.00 62.32 H new ATOM 0 HB3 ASP A 29 17.285 3.762 0.012 1.00 62.32 H new ATOM 465 N GLY A 30 13.640 4.223 0.715 1.00 5.52 N ATOM 466 CA GLY A 30 13.045 5.205 1.600 1.00 61.02 C ATOM 467 C GLY A 30 11.684 5.654 1.116 1.00 51.53 C ATOM 468 O GLY A 30 10.844 6.092 1.904 1.00 10.21 O ATOM 0 H GLY A 30 13.117 3.351 0.637 1.00 5.52 H new ATOM 0 HA2 GLY A 30 12.953 4.782 2.600 1.00 61.02 H new ATOM 0 HA3 GLY A 30 13.705 6.069 1.679 1.00 61.02 H new ATOM 472 N LYS A 31 11.457 5.530 -0.182 1.00 5.33 N ATOM 473 CA LYS A 31 10.228 5.983 -0.790 1.00 61.23 C ATOM 474 C LYS A 31 9.474 4.824 -1.439 1.00 40.41 C ATOM 475 O LYS A 31 10.070 3.801 -1.778 1.00 61.32 O ATOM 476 CB LYS A 31 10.565 7.024 -1.849 1.00 21.13 C ATOM 477 CG LYS A 31 11.232 8.279 -1.306 1.00 22.14 C ATOM 478 CD LYS A 31 11.694 9.194 -2.433 1.00 44.42 C ATOM 479 CE LYS A 31 12.788 8.543 -3.266 1.00 42.04 C ATOM 480 NZ LYS A 31 13.221 9.406 -4.397 1.00 64.12 N ATOM 0 H LYS A 31 12.120 5.114 -0.836 1.00 5.33 H new ATOM 0 HA LYS A 31 9.589 6.412 -0.018 1.00 61.23 H new ATOM 0 HB2 LYS A 31 11.222 6.570 -2.591 1.00 21.13 H new ATOM 0 HB3 LYS A 31 9.649 7.309 -2.366 1.00 21.13 H new ATOM 0 HG2 LYS A 31 10.534 8.815 -0.663 1.00 22.14 H new ATOM 0 HG3 LYS A 31 12.086 8.001 -0.688 1.00 22.14 H new ATOM 0 HD2 LYS A 31 10.847 9.442 -3.073 1.00 44.42 H new ATOM 0 HD3 LYS A 31 12.062 10.131 -2.015 1.00 44.42 H new ATOM 0 HE2 LYS A 31 13.645 8.324 -2.629 1.00 42.04 H new ATOM 0 HE3 LYS A 31 12.428 7.591 -3.655 1.00 42.04 H new ATOM 0 HZ1 LYS A 31 13.967 8.923 -4.937 1.00 64.12 H new ATOM 0 HZ2 LYS A 31 12.410 9.595 -5.020 1.00 64.12 H new ATOM 0 HZ3 LYS A 31 13.589 10.305 -4.026 1.00 64.12 H new ATOM 494 N ALA A 32 8.171 4.997 -1.620 1.00 0.21 N ATOM 495 CA ALA A 32 7.340 3.998 -2.286 1.00 23.43 C ATOM 496 C ALA A 32 6.204 4.678 -3.040 1.00 22.52 C ATOM 497 O ALA A 32 5.602 5.623 -2.534 1.00 43.20 O ATOM 498 CB ALA A 32 6.782 3.004 -1.276 1.00 63.25 C ATOM 0 H ALA A 32 7.662 5.826 -1.313 1.00 0.21 H new ATOM 0 HA ALA A 32 7.959 3.453 -2.998 1.00 23.43 H new ATOM 0 HB1 ALA A 32 6.166 2.268 -1.792 1.00 63.25 H new ATOM 0 HB2 ALA A 32 7.605 2.498 -0.771 1.00 63.25 H new ATOM 0 HB3 ALA A 32 6.176 3.534 -0.541 1.00 63.25 H new ATOM 504 N ALA A 33 5.915 4.206 -4.244 1.00 24.24 N ATOM 505 CA ALA A 33 4.866 4.801 -5.057 1.00 45.52 C ATOM 506 C ALA A 33 3.559 4.043 -4.863 1.00 25.33 C ATOM 507 O ALA A 33 3.441 2.880 -5.254 1.00 31.03 O ATOM 508 CB ALA A 33 5.274 4.806 -6.521 1.00 61.42 C ATOM 0 H ALA A 33 6.391 3.415 -4.678 1.00 24.24 H new ATOM 0 HA ALA A 33 4.716 5.833 -4.741 1.00 45.52 H new ATOM 0 HB1 ALA A 33 4.480 5.254 -7.118 1.00 61.42 H new ATOM 0 HB2 ALA A 33 6.190 5.385 -6.642 1.00 61.42 H new ATOM 0 HB3 ALA A 33 5.445 3.783 -6.854 1.00 61.42 H new ATOM 514 N VAL A 34 2.593 4.700 -4.245 1.00 72.14 N ATOM 515 CA VAL A 34 1.308 4.086 -3.955 1.00 33.33 C ATOM 516 C VAL A 34 0.282 4.471 -5.008 1.00 22.15 C ATOM 517 O VAL A 34 0.054 5.655 -5.267 1.00 25.02 O ATOM 518 CB VAL A 34 0.786 4.505 -2.566 1.00 32.30 C ATOM 519 CG1 VAL A 34 -0.516 3.795 -2.235 1.00 11.15 C ATOM 520 CG2 VAL A 34 1.830 4.235 -1.499 1.00 73.22 C ATOM 0 H VAL A 34 2.675 5.667 -3.932 1.00 72.14 H new ATOM 0 HA VAL A 34 1.456 3.006 -3.965 1.00 33.33 H new ATOM 0 HB VAL A 34 0.587 5.577 -2.590 1.00 32.30 H new ATOM 0 HG11 VAL A 34 -0.861 4.109 -1.250 1.00 11.15 H new ATOM 0 HG12 VAL A 34 -1.269 4.049 -2.981 1.00 11.15 H new ATOM 0 HG13 VAL A 34 -0.353 2.717 -2.236 1.00 11.15 H new ATOM 0 HG21 VAL A 34 1.443 4.537 -0.526 1.00 73.22 H new ATOM 0 HG22 VAL A 34 2.065 3.171 -1.481 1.00 73.22 H new ATOM 0 HG23 VAL A 34 2.733 4.803 -1.722 1.00 73.22 H new ATOM 530 N LEU A 35 -0.321 3.469 -5.623 1.00 64.32 N ATOM 531 CA LEU A 35 -1.333 3.697 -6.634 1.00 23.13 C ATOM 532 C LEU A 35 -2.717 3.683 -6.012 1.00 25.44 C ATOM 533 O LEU A 35 -3.130 2.689 -5.409 1.00 43.42 O ATOM 534 CB LEU A 35 -1.264 2.623 -7.719 1.00 51.10 C ATOM 535 CG LEU A 35 -2.140 2.867 -8.945 1.00 23.33 C ATOM 536 CD1 LEU A 35 -1.713 4.134 -9.671 1.00 21.21 C ATOM 537 CD2 LEU A 35 -2.085 1.672 -9.882 1.00 12.42 C ATOM 0 H LEU A 35 -0.125 2.485 -5.437 1.00 64.32 H new ATOM 0 HA LEU A 35 -1.144 4.673 -7.081 1.00 23.13 H new ATOM 0 HB2 LEU A 35 -0.229 2.529 -8.047 1.00 51.10 H new ATOM 0 HB3 LEU A 35 -1.546 1.667 -7.277 1.00 51.10 H new ATOM 0 HG LEU A 35 -3.169 2.998 -8.609 1.00 23.33 H new ATOM 0 HD11 LEU A 35 -2.351 4.287 -10.541 1.00 21.21 H new ATOM 0 HD12 LEU A 35 -1.805 4.987 -8.999 1.00 21.21 H new ATOM 0 HD13 LEU A 35 -0.677 4.036 -9.994 1.00 21.21 H new ATOM 0 HD21 LEU A 35 -2.715 1.862 -10.751 1.00 12.42 H new ATOM 0 HD22 LEU A 35 -1.057 1.511 -10.207 1.00 12.42 H new ATOM 0 HD23 LEU A 35 -2.444 0.784 -9.361 1.00 12.42 H new ATOM 549 N PHE A 36 -3.413 4.790 -6.141 1.00 11.13 N ATOM 550 CA PHE A 36 -4.803 4.872 -5.742 1.00 14.11 C ATOM 551 C PHE A 36 -5.678 4.750 -6.976 1.00 61.23 C ATOM 552 O PHE A 36 -5.347 5.286 -8.034 1.00 43.41 O ATOM 553 CB PHE A 36 -5.091 6.192 -5.024 1.00 30.32 C ATOM 554 CG PHE A 36 -4.238 6.416 -3.809 1.00 24.01 C ATOM 555 CD1 PHE A 36 -4.561 5.819 -2.602 1.00 42.33 C ATOM 556 CD2 PHE A 36 -3.104 7.210 -3.879 1.00 61.33 C ATOM 557 CE1 PHE A 36 -3.774 6.013 -1.484 1.00 53.44 C ATOM 558 CE2 PHE A 36 -2.312 7.408 -2.765 1.00 12.42 C ATOM 559 CZ PHE A 36 -2.647 6.806 -1.566 1.00 1.43 C ATOM 0 H PHE A 36 -3.035 5.657 -6.524 1.00 11.13 H new ATOM 0 HA PHE A 36 -5.021 4.060 -5.049 1.00 14.11 H new ATOM 0 HB2 PHE A 36 -4.938 7.016 -5.721 1.00 30.32 H new ATOM 0 HB3 PHE A 36 -6.140 6.214 -4.730 1.00 30.32 H new ATOM 0 HD1 PHE A 36 -5.439 5.194 -2.534 1.00 42.33 H new ATOM 0 HD2 PHE A 36 -2.837 7.679 -4.815 1.00 61.33 H new ATOM 0 HE1 PHE A 36 -4.040 5.545 -0.547 1.00 53.44 H new ATOM 0 HE2 PHE A 36 -1.433 8.032 -2.830 1.00 12.42 H new ATOM 0 HZ PHE A 36 -2.027 6.956 -0.694 1.00 1.43 H new ATOM 569 N GLU A 37 -6.784 4.048 -6.846 1.00 24.22 N ATOM 570 CA GLU A 37 -7.643 3.773 -7.980 1.00 63.31 C ATOM 571 C GLU A 37 -9.102 3.909 -7.583 1.00 22.10 C ATOM 572 O GLU A 37 -9.489 3.540 -6.474 1.00 62.20 O ATOM 573 CB GLU A 37 -7.374 2.364 -8.505 1.00 24.24 C ATOM 574 CG GLU A 37 -8.113 2.037 -9.790 1.00 65.42 C ATOM 575 CD GLU A 37 -7.986 0.579 -10.168 1.00 11.05 C ATOM 576 OE1 GLU A 37 -6.944 0.198 -10.744 1.00 11.11 O ATOM 577 OE2 GLU A 37 -8.920 -0.197 -9.878 1.00 1.31 O ATOM 0 H GLU A 37 -7.111 3.656 -5.963 1.00 24.22 H new ATOM 0 HA GLU A 37 -7.427 4.496 -8.767 1.00 63.31 H new ATOM 0 HB2 GLU A 37 -6.303 2.247 -8.673 1.00 24.24 H new ATOM 0 HB3 GLU A 37 -7.657 1.641 -7.740 1.00 24.24 H new ATOM 0 HG2 GLU A 37 -9.167 2.290 -9.675 1.00 65.42 H new ATOM 0 HG3 GLU A 37 -7.723 2.655 -10.599 1.00 65.42 H new ATOM 584 N ASN A 38 -9.895 4.465 -8.481 1.00 15.30 N ATOM 585 CA ASN A 38 -11.331 4.563 -8.285 1.00 1.42 C ATOM 586 C ASN A 38 -12.019 4.619 -9.640 1.00 1.43 C ATOM 587 O ASN A 38 -12.411 5.687 -10.112 1.00 63.51 O ATOM 588 CB ASN A 38 -11.684 5.794 -7.445 1.00 74.32 C ATOM 589 CG ASN A 38 -13.073 5.714 -6.846 1.00 73.34 C ATOM 590 OD1 ASN A 38 -14.055 6.160 -7.442 1.00 33.25 O ATOM 591 ND2 ASN A 38 -13.163 5.147 -5.651 1.00 34.32 N ATOM 0 H ASN A 38 -9.565 4.859 -9.362 1.00 15.30 H new ATOM 0 HA ASN A 38 -11.678 3.684 -7.742 1.00 1.42 H new ATOM 0 HB2 ASN A 38 -10.953 5.904 -6.644 1.00 74.32 H new ATOM 0 HB3 ASN A 38 -11.612 6.686 -8.067 1.00 74.32 H new ATOM 0 HD21 ASN A 38 -14.070 5.067 -5.191 1.00 34.32 H new ATOM 0 HD22 ASN A 38 -12.325 4.790 -5.191 1.00 34.32 H new ATOM 598 N GLY A 39 -12.110 3.463 -10.285 1.00 24.13 N ATOM 599 CA GLY A 39 -12.708 3.386 -11.601 1.00 2.14 C ATOM 600 C GLY A 39 -11.830 4.023 -12.658 1.00 23.55 C ATOM 601 O GLY A 39 -10.761 3.508 -12.977 1.00 44.31 O ATOM 0 H GLY A 39 -11.777 2.572 -9.916 1.00 24.13 H new ATOM 0 HA2 GLY A 39 -12.887 2.342 -11.858 1.00 2.14 H new ATOM 0 HA3 GLY A 39 -13.679 3.882 -11.588 1.00 2.14 H new ATOM 605 N ASN A 40 -12.266 5.159 -13.185 1.00 71.43 N ATOM 606 CA ASN A 40 -11.491 5.873 -14.192 1.00 61.22 C ATOM 607 C ASN A 40 -10.449 6.764 -13.537 1.00 50.11 C ATOM 608 O ASN A 40 -9.509 7.223 -14.189 1.00 75.14 O ATOM 609 CB ASN A 40 -12.398 6.719 -15.087 1.00 60.54 C ATOM 610 CG ASN A 40 -13.154 5.895 -16.108 1.00 52.42 C ATOM 611 OD1 ASN A 40 -14.267 5.437 -15.854 1.00 54.31 O ATOM 612 ND2 ASN A 40 -12.558 5.706 -17.273 1.00 75.24 N ATOM 0 H ASN A 40 -13.148 5.605 -12.934 1.00 71.43 H new ATOM 0 HA ASN A 40 -10.987 5.128 -14.808 1.00 61.22 H new ATOM 0 HB2 ASN A 40 -13.111 7.260 -14.465 1.00 60.54 H new ATOM 0 HB3 ASN A 40 -11.795 7.465 -15.604 1.00 60.54 H new ATOM 0 HD21 ASN A 40 -13.022 5.163 -18.001 1.00 75.24 H new ATOM 0 HD22 ASN A 40 -11.634 6.103 -17.444 1.00 75.24 H new ATOM 619 N TRP A 41 -10.618 7.004 -12.243 1.00 24.51 N ATOM 620 CA TRP A 41 -9.707 7.858 -11.504 1.00 11.45 C ATOM 621 C TRP A 41 -8.532 7.055 -10.977 1.00 14.32 C ATOM 622 O TRP A 41 -8.676 5.898 -10.566 1.00 33.32 O ATOM 623 CB TRP A 41 -10.444 8.552 -10.356 1.00 32.22 C ATOM 624 CG TRP A 41 -9.571 9.422 -9.496 1.00 15.43 C ATOM 625 CD1 TRP A 41 -9.219 10.718 -9.740 1.00 43.20 C ATOM 626 CD2 TRP A 41 -8.950 9.065 -8.255 1.00 11.25 C ATOM 627 NE1 TRP A 41 -8.412 11.185 -8.732 1.00 32.03 N ATOM 628 CE2 TRP A 41 -8.235 10.192 -7.806 1.00 73.44 C ATOM 629 CE3 TRP A 41 -8.927 7.906 -7.478 1.00 70.42 C ATOM 630 CZ2 TRP A 41 -7.507 10.188 -6.620 1.00 2.20 C ATOM 631 CZ3 TRP A 41 -8.208 7.905 -6.302 1.00 42.34 C ATOM 632 CH2 TRP A 41 -7.508 9.039 -5.882 1.00 51.43 C ATOM 0 H TRP A 41 -11.380 6.617 -11.686 1.00 24.51 H new ATOM 0 HA TRP A 41 -9.322 8.622 -12.180 1.00 11.45 H new ATOM 0 HB2 TRP A 41 -11.247 9.161 -10.771 1.00 32.22 H new ATOM 0 HB3 TRP A 41 -10.911 7.793 -9.728 1.00 32.22 H new ATOM 0 HD1 TRP A 41 -9.530 11.292 -10.600 1.00 43.20 H new ATOM 0 HE1 TRP A 41 -8.009 12.121 -8.681 1.00 32.03 H new ATOM 0 HE3 TRP A 41 -9.464 7.024 -7.793 1.00 70.42 H new ATOM 0 HZ2 TRP A 41 -6.961 11.062 -6.295 1.00 2.20 H new ATOM 0 HZ3 TRP A 41 -8.185 7.012 -5.695 1.00 42.34 H new ATOM 0 HH2 TRP A 41 -6.956 9.006 -4.954 1.00 51.43 H new ATOM 643 N ASP A 42 -7.376 7.684 -10.999 1.00 72.51 N ATOM 644 CA ASP A 42 -6.144 7.066 -10.533 1.00 54.43 C ATOM 645 C ASP A 42 -5.244 8.127 -9.928 1.00 72.40 C ATOM 646 O ASP A 42 -5.451 9.322 -10.145 1.00 61.11 O ATOM 647 CB ASP A 42 -5.404 6.358 -11.677 1.00 51.10 C ATOM 648 CG ASP A 42 -4.719 7.326 -12.628 1.00 71.32 C ATOM 649 OD1 ASP A 42 -5.422 8.021 -13.388 1.00 13.41 O ATOM 650 OD2 ASP A 42 -3.468 7.388 -12.626 1.00 45.03 O ATOM 0 H ASP A 42 -7.260 8.638 -11.340 1.00 72.51 H new ATOM 0 HA ASP A 42 -6.401 6.319 -9.782 1.00 54.43 H new ATOM 0 HB2 ASP A 42 -4.660 5.681 -11.257 1.00 51.10 H new ATOM 0 HB3 ASP A 42 -6.111 5.746 -12.237 1.00 51.10 H new ATOM 655 N LYS A 43 -4.258 7.693 -9.166 1.00 60.00 N ATOM 656 CA LYS A 43 -3.317 8.610 -8.548 1.00 24.05 C ATOM 657 C LYS A 43 -2.114 7.848 -8.014 1.00 3.21 C ATOM 658 O LYS A 43 -2.225 7.102 -7.042 1.00 25.31 O ATOM 659 CB LYS A 43 -3.996 9.377 -7.411 1.00 73.41 C ATOM 660 CG LYS A 43 -3.763 10.881 -7.447 1.00 33.35 C ATOM 661 CD LYS A 43 -2.291 11.234 -7.318 1.00 73.12 C ATOM 662 CE LYS A 43 -2.089 12.728 -7.127 1.00 51.42 C ATOM 663 NZ LYS A 43 -2.689 13.213 -5.856 1.00 5.14 N ATOM 0 H LYS A 43 -4.087 6.709 -8.959 1.00 60.00 H new ATOM 0 HA LYS A 43 -2.978 9.321 -9.301 1.00 24.05 H new ATOM 0 HB2 LYS A 43 -5.068 9.186 -7.448 1.00 73.41 H new ATOM 0 HB3 LYS A 43 -3.636 8.987 -6.459 1.00 73.41 H new ATOM 0 HG2 LYS A 43 -4.152 11.285 -8.381 1.00 33.35 H new ATOM 0 HG3 LYS A 43 -4.321 11.353 -6.639 1.00 33.35 H new ATOM 0 HD2 LYS A 43 -1.860 10.697 -6.473 1.00 73.12 H new ATOM 0 HD3 LYS A 43 -1.758 10.905 -8.210 1.00 73.12 H new ATOM 0 HE2 LYS A 43 -1.023 12.953 -7.134 1.00 51.42 H new ATOM 0 HE3 LYS A 43 -2.533 13.264 -7.966 1.00 51.42 H new ATOM 0 HZ1 LYS A 43 -2.992 14.201 -5.970 1.00 5.14 H new ATOM 0 HZ2 LYS A 43 -3.512 12.625 -5.614 1.00 5.14 H new ATOM 0 HZ3 LYS A 43 -1.984 13.153 -5.094 1.00 5.14 H new ATOM 677 N LEU A 44 -0.974 8.016 -8.661 1.00 52.15 N ATOM 678 CA LEU A 44 0.256 7.395 -8.203 1.00 75.03 C ATOM 679 C LEU A 44 1.054 8.388 -7.365 1.00 4.43 C ATOM 680 O LEU A 44 1.676 9.311 -7.896 1.00 23.41 O ATOM 681 CB LEU A 44 1.093 6.907 -9.388 1.00 72.22 C ATOM 682 CG LEU A 44 2.371 6.160 -9.007 1.00 23.05 C ATOM 683 CD1 LEU A 44 2.036 4.859 -8.299 1.00 53.41 C ATOM 684 CD2 LEU A 44 3.223 5.901 -10.237 1.00 75.33 C ATOM 0 H LEU A 44 -0.875 8.578 -9.506 1.00 52.15 H new ATOM 0 HA LEU A 44 0.002 6.531 -7.589 1.00 75.03 H new ATOM 0 HB2 LEU A 44 0.477 6.253 -10.005 1.00 72.22 H new ATOM 0 HB3 LEU A 44 1.361 7.766 -10.003 1.00 72.22 H new ATOM 0 HG LEU A 44 2.944 6.783 -8.321 1.00 23.05 H new ATOM 0 HD11 LEU A 44 2.958 4.341 -8.035 1.00 53.41 H new ATOM 0 HD12 LEU A 44 1.468 5.073 -7.394 1.00 53.41 H new ATOM 0 HD13 LEU A 44 1.441 4.228 -8.959 1.00 53.41 H new ATOM 0 HD21 LEU A 44 4.129 5.368 -9.947 1.00 75.33 H new ATOM 0 HD22 LEU A 44 2.660 5.298 -10.949 1.00 75.33 H new ATOM 0 HD23 LEU A 44 3.493 6.851 -10.699 1.00 75.33 H new ATOM 696 N VAL A 45 1.027 8.204 -6.057 1.00 51.44 N ATOM 697 CA VAL A 45 1.687 9.125 -5.147 1.00 23.24 C ATOM 698 C VAL A 45 2.870 8.449 -4.483 1.00 52.24 C ATOM 699 O VAL A 45 2.730 7.373 -3.905 1.00 60.50 O ATOM 700 CB VAL A 45 0.731 9.632 -4.049 1.00 11.23 C ATOM 701 CG1 VAL A 45 1.374 10.760 -3.259 1.00 44.21 C ATOM 702 CG2 VAL A 45 -0.588 10.080 -4.645 1.00 43.25 C ATOM 0 H VAL A 45 0.555 7.424 -5.600 1.00 51.44 H new ATOM 0 HA VAL A 45 2.020 9.976 -5.741 1.00 23.24 H new ATOM 0 HB VAL A 45 0.530 8.806 -3.367 1.00 11.23 H new ATOM 0 HG11 VAL A 45 0.684 11.104 -2.489 1.00 44.21 H new ATOM 0 HG12 VAL A 45 2.290 10.400 -2.791 1.00 44.21 H new ATOM 0 HG13 VAL A 45 1.610 11.586 -3.930 1.00 44.21 H new ATOM 0 HG21 VAL A 45 -1.245 10.433 -3.850 1.00 43.25 H new ATOM 0 HG22 VAL A 45 -0.411 10.888 -5.355 1.00 43.25 H new ATOM 0 HG23 VAL A 45 -1.058 9.242 -5.159 1.00 43.25 H new ATOM 712 N THR A 46 4.035 9.062 -4.573 1.00 23.24 N ATOM 713 CA THR A 46 5.204 8.538 -3.908 1.00 42.11 C ATOM 714 C THR A 46 5.248 9.039 -2.469 1.00 15.30 C ATOM 715 O THR A 46 5.284 10.242 -2.211 1.00 40.14 O ATOM 716 CB THR A 46 6.495 8.961 -4.614 1.00 20.54 C ATOM 717 OG1 THR A 46 6.291 9.005 -6.038 1.00 12.11 O ATOM 718 CG2 THR A 46 7.630 7.999 -4.295 1.00 34.43 C ATOM 0 H THR A 46 4.193 9.921 -5.100 1.00 23.24 H new ATOM 0 HA THR A 46 5.134 7.451 -3.933 1.00 42.11 H new ATOM 0 HB THR A 46 6.765 9.954 -4.254 1.00 20.54 H new ATOM 0 HG1 THR A 46 7.122 9.278 -6.479 1.00 12.11 H new ATOM 0 HG21 THR A 46 8.536 8.322 -4.809 1.00 34.43 H new ATOM 0 HG22 THR A 46 7.807 7.989 -3.219 1.00 34.43 H new ATOM 0 HG23 THR A 46 7.362 6.996 -4.628 1.00 34.43 H new ATOM 726 N PHE A 47 5.235 8.107 -1.549 1.00 2.32 N ATOM 727 CA PHE A 47 5.299 8.409 -0.130 1.00 23.12 C ATOM 728 C PHE A 47 6.620 7.915 0.423 1.00 32.34 C ATOM 729 O PHE A 47 7.527 7.568 -0.338 1.00 10.25 O ATOM 730 CB PHE A 47 4.147 7.738 0.630 1.00 70.35 C ATOM 731 CG PHE A 47 2.793 8.338 0.372 1.00 10.22 C ATOM 732 CD1 PHE A 47 2.436 9.542 0.957 1.00 74.51 C ATOM 733 CD2 PHE A 47 1.872 7.694 -0.438 1.00 43.23 C ATOM 734 CE1 PHE A 47 1.187 10.093 0.738 1.00 62.32 C ATOM 735 CE2 PHE A 47 0.623 8.240 -0.661 1.00 52.33 C ATOM 736 CZ PHE A 47 0.280 9.441 -0.071 1.00 45.44 C ATOM 0 H PHE A 47 5.180 7.110 -1.759 1.00 2.32 H new ATOM 0 HA PHE A 47 5.213 9.488 -0.000 1.00 23.12 H new ATOM 0 HB2 PHE A 47 4.119 6.682 0.362 1.00 70.35 H new ATOM 0 HB3 PHE A 47 4.355 7.790 1.699 1.00 70.35 H new ATOM 0 HD1 PHE A 47 3.142 10.057 1.592 1.00 74.51 H new ATOM 0 HD2 PHE A 47 2.134 6.754 -0.901 1.00 43.23 H new ATOM 0 HE1 PHE A 47 0.922 11.033 1.200 1.00 62.32 H new ATOM 0 HE2 PHE A 47 -0.085 7.728 -1.296 1.00 52.33 H new ATOM 0 HZ PHE A 47 -0.697 9.869 -0.243 1.00 45.44 H new ATOM 746 N ARG A 48 6.740 7.896 1.736 1.00 34.15 N ATOM 747 CA ARG A 48 7.896 7.311 2.371 1.00 44.24 C ATOM 748 C ARG A 48 7.509 5.975 2.978 1.00 33.42 C ATOM 749 O ARG A 48 6.331 5.715 3.219 1.00 24.43 O ATOM 750 CB ARG A 48 8.459 8.244 3.445 1.00 64.41 C ATOM 751 CG ARG A 48 8.834 9.623 2.923 1.00 31.04 C ATOM 752 CD ARG A 48 9.772 9.528 1.731 1.00 12.21 C ATOM 753 NE ARG A 48 10.134 10.843 1.212 1.00 60.03 N ATOM 754 CZ ARG A 48 9.713 11.325 0.046 1.00 53.40 C ATOM 755 NH1 ARG A 48 8.860 10.630 -0.701 1.00 13.40 N ATOM 756 NH2 ARG A 48 10.140 12.509 -0.370 1.00 31.01 N ATOM 0 H ARG A 48 6.049 8.280 2.381 1.00 34.15 H new ATOM 0 HA ARG A 48 8.674 7.159 1.623 1.00 44.24 H new ATOM 0 HB2 ARG A 48 7.722 8.355 4.240 1.00 64.41 H new ATOM 0 HB3 ARG A 48 9.340 7.782 3.889 1.00 64.41 H new ATOM 0 HG2 ARG A 48 7.932 10.163 2.636 1.00 31.04 H new ATOM 0 HG3 ARG A 48 9.310 10.198 3.718 1.00 31.04 H new ATOM 0 HD2 ARG A 48 10.675 8.993 2.023 1.00 12.21 H new ATOM 0 HD3 ARG A 48 9.297 8.945 0.942 1.00 12.21 H new ATOM 0 HE ARG A 48 10.748 11.429 1.778 1.00 60.03 H new ATOM 0 HH11 ARG A 48 8.525 9.722 -0.381 1.00 13.40 H new ATOM 0 HH12 ARG A 48 8.541 11.005 -1.594 1.00 13.40 H new ATOM 0 HH21 ARG A 48 10.789 13.047 0.204 1.00 31.01 H new ATOM 0 HH22 ARG A 48 9.819 12.882 -1.264 1.00 31.01 H new ATOM 770 N LEU A 49 8.499 5.147 3.235 1.00 13.50 N ATOM 771 CA LEU A 49 8.267 3.812 3.776 1.00 24.13 C ATOM 772 C LEU A 49 7.816 3.908 5.220 1.00 20.34 C ATOM 773 O LEU A 49 7.098 3.047 5.722 1.00 32.44 O ATOM 774 CB LEU A 49 9.532 2.953 3.678 1.00 33.41 C ATOM 775 CG LEU A 49 9.998 2.624 2.257 1.00 31.01 C ATOM 776 CD1 LEU A 49 11.284 1.813 2.295 1.00 52.54 C ATOM 777 CD2 LEU A 49 8.920 1.863 1.502 1.00 74.04 C ATOM 0 H LEU A 49 9.482 5.371 3.079 1.00 13.50 H new ATOM 0 HA LEU A 49 7.484 3.336 3.186 1.00 24.13 H new ATOM 0 HB2 LEU A 49 10.341 3.468 4.197 1.00 33.41 H new ATOM 0 HB3 LEU A 49 9.357 2.018 4.210 1.00 33.41 H new ATOM 0 HG LEU A 49 10.190 3.561 1.735 1.00 31.01 H new ATOM 0 HD11 LEU A 49 11.602 1.587 1.277 1.00 52.54 H new ATOM 0 HD12 LEU A 49 12.061 2.387 2.799 1.00 52.54 H new ATOM 0 HD13 LEU A 49 11.112 0.883 2.836 1.00 52.54 H new ATOM 0 HD21 LEU A 49 9.271 1.639 0.495 1.00 74.04 H new ATOM 0 HD22 LEU A 49 8.698 0.932 2.024 1.00 74.04 H new ATOM 0 HD23 LEU A 49 8.017 2.471 1.445 1.00 74.04 H new ATOM 789 N SER A 50 8.242 4.971 5.879 1.00 10.52 N ATOM 790 CA SER A 50 7.821 5.251 7.235 1.00 50.24 C ATOM 791 C SER A 50 6.396 5.784 7.246 1.00 43.04 C ATOM 792 O SER A 50 5.691 5.688 8.248 1.00 42.21 O ATOM 793 CB SER A 50 8.764 6.275 7.860 1.00 34.32 C ATOM 794 OG SER A 50 8.886 7.424 7.029 1.00 22.52 O ATOM 0 H SER A 50 8.886 5.659 5.489 1.00 10.52 H new ATOM 0 HA SER A 50 7.852 4.328 7.815 1.00 50.24 H new ATOM 0 HB2 SER A 50 8.391 6.568 8.841 1.00 34.32 H new ATOM 0 HB3 SER A 50 9.745 5.826 8.014 1.00 34.32 H new ATOM 0 HG SER A 50 8.126 8.023 7.185 1.00 22.52 H new ATOM 800 N GLU A 51 5.969 6.330 6.111 1.00 21.44 N ATOM 801 CA GLU A 51 4.668 6.996 6.040 1.00 45.23 C ATOM 802 C GLU A 51 3.560 6.013 5.693 1.00 63.35 C ATOM 803 O GLU A 51 2.378 6.368 5.681 1.00 32.32 O ATOM 804 CB GLU A 51 4.692 8.131 5.014 1.00 70.01 C ATOM 805 CG GLU A 51 5.760 9.173 5.287 1.00 21.32 C ATOM 806 CD GLU A 51 5.771 9.627 6.728 1.00 63.54 C ATOM 807 OE1 GLU A 51 4.886 10.415 7.113 1.00 63.35 O ATOM 808 OE2 GLU A 51 6.668 9.188 7.481 1.00 1.32 O ATOM 0 H GLU A 51 6.495 6.326 5.237 1.00 21.44 H new ATOM 0 HA GLU A 51 4.463 7.413 7.026 1.00 45.23 H new ATOM 0 HB2 GLU A 51 4.853 7.709 4.022 1.00 70.01 H new ATOM 0 HB3 GLU A 51 3.717 8.617 5.000 1.00 70.01 H new ATOM 0 HG2 GLU A 51 6.737 8.763 5.031 1.00 21.32 H new ATOM 0 HG3 GLU A 51 5.597 10.034 4.639 1.00 21.32 H new ATOM 815 N LEU A 52 3.944 4.784 5.409 1.00 34.22 N ATOM 816 CA LEU A 52 3.001 3.755 5.027 1.00 71.03 C ATOM 817 C LEU A 52 3.058 2.600 6.008 1.00 31.03 C ATOM 818 O LEU A 52 4.128 2.263 6.516 1.00 41.50 O ATOM 819 CB LEU A 52 3.333 3.246 3.629 1.00 0.53 C ATOM 820 CG LEU A 52 3.296 4.300 2.526 1.00 21.41 C ATOM 821 CD1 LEU A 52 3.855 3.727 1.235 1.00 70.03 C ATOM 822 CD2 LEU A 52 1.878 4.805 2.312 1.00 52.51 C ATOM 0 H LEU A 52 4.915 4.473 5.437 1.00 34.22 H new ATOM 0 HA LEU A 52 1.997 4.180 5.034 1.00 71.03 H new ATOM 0 HB2 LEU A 52 4.327 2.800 3.649 1.00 0.53 H new ATOM 0 HB3 LEU A 52 2.632 2.451 3.373 1.00 0.53 H new ATOM 0 HG LEU A 52 3.915 5.143 2.833 1.00 21.41 H new ATOM 0 HD11 LEU A 52 3.823 4.488 0.455 1.00 70.03 H new ATOM 0 HD12 LEU A 52 4.886 3.412 1.393 1.00 70.03 H new ATOM 0 HD13 LEU A 52 3.257 2.869 0.929 1.00 70.03 H new ATOM 0 HD21 LEU A 52 1.874 5.555 1.522 1.00 52.51 H new ATOM 0 HD22 LEU A 52 1.235 3.973 2.025 1.00 52.51 H new ATOM 0 HD23 LEU A 52 1.507 5.249 3.236 1.00 52.51 H new ATOM 834 N GLU A 53 1.913 2.011 6.296 1.00 23.22 N ATOM 835 CA GLU A 53 1.878 0.801 7.092 1.00 22.32 C ATOM 836 C GLU A 53 1.534 -0.376 6.196 1.00 22.23 C ATOM 837 O GLU A 53 0.595 -0.309 5.396 1.00 43.21 O ATOM 838 CB GLU A 53 0.872 0.911 8.248 1.00 43.44 C ATOM 839 CG GLU A 53 -0.558 1.172 7.805 1.00 2.20 C ATOM 840 CD GLU A 53 -1.555 1.071 8.937 1.00 52.15 C ATOM 841 OE1 GLU A 53 -1.695 2.048 9.698 1.00 42.43 O ATOM 842 OE2 GLU A 53 -2.213 0.016 9.061 1.00 34.13 O ATOM 0 H GLU A 53 1.000 2.349 5.992 1.00 23.22 H new ATOM 0 HA GLU A 53 2.862 0.650 7.536 1.00 22.32 H new ATOM 0 HB2 GLU A 53 0.899 -0.012 8.827 1.00 43.44 H new ATOM 0 HB3 GLU A 53 1.187 1.714 8.914 1.00 43.44 H new ATOM 0 HG2 GLU A 53 -0.619 2.166 7.362 1.00 2.20 H new ATOM 0 HG3 GLU A 53 -0.827 0.458 7.026 1.00 2.20 H new ATOM 849 N ALA A 54 2.314 -1.434 6.295 1.00 35.14 N ATOM 850 CA ALA A 54 2.071 -2.619 5.499 1.00 35.44 C ATOM 851 C ALA A 54 0.824 -3.332 5.992 1.00 75.21 C ATOM 852 O ALA A 54 0.705 -3.646 7.181 1.00 21.34 O ATOM 853 CB ALA A 54 3.275 -3.544 5.543 1.00 54.11 C ATOM 0 H ALA A 54 3.120 -1.497 6.917 1.00 35.14 H new ATOM 0 HA ALA A 54 1.911 -2.321 4.463 1.00 35.44 H new ATOM 0 HB1 ALA A 54 3.076 -4.430 4.940 1.00 54.11 H new ATOM 0 HB2 ALA A 54 4.148 -3.024 5.147 1.00 54.11 H new ATOM 0 HB3 ALA A 54 3.467 -3.843 6.574 1.00 54.11 H new ATOM 859 N VAL A 55 -0.119 -3.553 5.091 1.00 54.44 N ATOM 860 CA VAL A 55 -1.330 -4.272 5.435 1.00 35.44 C ATOM 861 C VAL A 55 -1.053 -5.766 5.359 1.00 63.22 C ATOM 862 O VAL A 55 -0.020 -6.190 4.836 1.00 64.22 O ATOM 863 CB VAL A 55 -2.512 -3.917 4.503 1.00 31.34 C ATOM 864 CG1 VAL A 55 -3.846 -4.301 5.128 1.00 62.05 C ATOM 865 CG2 VAL A 55 -2.499 -2.438 4.145 1.00 11.42 C ATOM 0 H VAL A 55 -0.068 -3.245 4.120 1.00 54.44 H new ATOM 0 HA VAL A 55 -1.617 -3.981 6.445 1.00 35.44 H new ATOM 0 HB VAL A 55 -2.390 -4.494 3.587 1.00 31.34 H new ATOM 0 HG11 VAL A 55 -4.656 -4.038 4.447 1.00 62.05 H new ATOM 0 HG12 VAL A 55 -3.864 -5.375 5.316 1.00 62.05 H new ATOM 0 HG13 VAL A 55 -3.975 -3.766 6.069 1.00 62.05 H new ATOM 0 HG21 VAL A 55 -3.340 -2.215 3.489 1.00 11.42 H new ATOM 0 HG22 VAL A 55 -2.580 -1.843 5.054 1.00 11.42 H new ATOM 0 HG23 VAL A 55 -1.567 -2.195 3.635 1.00 11.42 H new ATOM 875 N LYS A 56 -1.969 -6.556 5.871 1.00 31.34 N ATOM 876 CA LYS A 56 -1.793 -7.986 5.928 1.00 32.24 C ATOM 877 C LYS A 56 -2.300 -8.618 4.638 1.00 54.40 C ATOM 878 O LYS A 56 -3.381 -8.277 4.158 1.00 45.54 O ATOM 879 CB LYS A 56 -2.532 -8.566 7.140 1.00 12.44 C ATOM 880 CG LYS A 56 -1.987 -8.104 8.490 1.00 63.23 C ATOM 881 CD LYS A 56 -2.366 -6.660 8.803 1.00 72.00 C ATOM 882 CE LYS A 56 -1.749 -6.184 10.109 1.00 5.41 C ATOM 883 NZ LYS A 56 -2.101 -4.769 10.409 1.00 63.11 N ATOM 0 H LYS A 56 -2.853 -6.225 6.258 1.00 31.34 H new ATOM 0 HA LYS A 56 -0.732 -8.211 6.037 1.00 32.24 H new ATOM 0 HB2 LYS A 56 -3.585 -8.292 7.074 1.00 12.44 H new ATOM 0 HB3 LYS A 56 -2.482 -9.654 7.094 1.00 12.44 H new ATOM 0 HG2 LYS A 56 -2.368 -8.756 9.276 1.00 63.23 H new ATOM 0 HG3 LYS A 56 -0.901 -8.202 8.494 1.00 63.23 H new ATOM 0 HD2 LYS A 56 -2.038 -6.014 7.989 1.00 72.00 H new ATOM 0 HD3 LYS A 56 -3.451 -6.573 8.861 1.00 72.00 H new ATOM 0 HE2 LYS A 56 -2.089 -6.823 10.924 1.00 5.41 H new ATOM 0 HE3 LYS A 56 -0.665 -6.284 10.056 1.00 5.41 H new ATOM 0 HZ1 LYS A 56 -1.660 -4.485 11.307 1.00 63.11 H new ATOM 0 HZ2 LYS A 56 -1.755 -4.155 9.644 1.00 63.11 H new ATOM 0 HZ3 LYS A 56 -3.134 -4.677 10.486 1.00 63.11 H new ATOM 897 N PRO A 57 -1.516 -9.522 4.044 1.00 71.30 N ATOM 898 CA PRO A 57 -1.907 -10.209 2.815 1.00 51.03 C ATOM 899 C PRO A 57 -3.029 -11.218 3.055 1.00 72.12 C ATOM 900 O PRO A 57 -3.477 -11.405 4.190 1.00 34.33 O ATOM 901 CB PRO A 57 -0.625 -10.923 2.384 1.00 14.03 C ATOM 902 CG PRO A 57 0.141 -11.122 3.646 1.00 54.41 C ATOM 903 CD PRO A 57 -0.185 -9.943 4.521 1.00 72.33 C ATOM 0 HA PRO A 57 -2.296 -9.521 2.065 1.00 51.03 H new ATOM 0 HB2 PRO A 57 -0.845 -11.875 1.901 1.00 14.03 H new ATOM 0 HB3 PRO A 57 -0.060 -10.325 1.668 1.00 14.03 H new ATOM 0 HG2 PRO A 57 -0.141 -12.057 4.130 1.00 54.41 H new ATOM 0 HG3 PRO A 57 1.211 -11.176 3.448 1.00 54.41 H new ATOM 0 HD2 PRO A 57 -0.204 -10.218 5.576 1.00 72.33 H new ATOM 0 HD3 PRO A 57 0.551 -9.146 4.413 1.00 72.33 H new ATOM 911 N ILE A 58 -3.481 -11.863 1.987 1.00 61.33 N ATOM 912 CA ILE A 58 -4.520 -12.877 2.099 1.00 55.44 C ATOM 913 C ILE A 58 -3.970 -14.078 2.856 1.00 4.21 C ATOM 914 O ILE A 58 -2.764 -14.337 2.834 1.00 70.10 O ATOM 915 CB ILE A 58 -5.021 -13.343 0.717 1.00 74.23 C ATOM 916 CG1 ILE A 58 -5.121 -12.158 -0.246 1.00 35.12 C ATOM 917 CG2 ILE A 58 -6.373 -14.026 0.848 1.00 34.20 C ATOM 918 CD1 ILE A 58 -5.539 -12.543 -1.650 1.00 63.42 C ATOM 0 H ILE A 58 -3.146 -11.702 1.037 1.00 61.33 H new ATOM 0 HA ILE A 58 -5.361 -12.434 2.633 1.00 55.44 H new ATOM 0 HB ILE A 58 -4.303 -14.058 0.315 1.00 74.23 H new ATOM 0 HG12 ILE A 58 -5.837 -11.439 0.151 1.00 35.12 H new ATOM 0 HG13 ILE A 58 -4.155 -11.655 -0.290 1.00 35.12 H new ATOM 0 HG21 ILE A 58 -6.714 -14.350 -0.135 1.00 34.20 H new ATOM 0 HG22 ILE A 58 -6.281 -14.892 1.503 1.00 34.20 H new ATOM 0 HG23 ILE A 58 -7.095 -13.327 1.270 1.00 34.20 H new ATOM 0 HD11 ILE A 58 -5.587 -11.650 -2.273 1.00 63.42 H new ATOM 0 HD12 ILE A 58 -4.811 -13.238 -2.068 1.00 63.42 H new ATOM 0 HD13 ILE A 58 -6.520 -13.018 -1.620 1.00 63.42 H new ATOM 930 N LEU A 59 -4.847 -14.809 3.516 1.00 10.22 N ATOM 931 CA LEU A 59 -4.434 -15.919 4.353 1.00 43.25 C ATOM 932 C LEU A 59 -4.238 -17.179 3.532 1.00 14.05 C ATOM 933 O LEU A 59 -5.204 -17.810 3.094 1.00 40.10 O ATOM 934 CB LEU A 59 -5.457 -16.177 5.461 1.00 13.24 C ATOM 935 CG LEU A 59 -5.592 -15.060 6.495 1.00 34.14 C ATOM 936 CD1 LEU A 59 -6.646 -15.421 7.527 1.00 33.42 C ATOM 937 CD2 LEU A 59 -4.254 -14.791 7.171 1.00 52.53 C ATOM 0 H LEU A 59 -5.855 -14.653 3.489 1.00 10.22 H new ATOM 0 HA LEU A 59 -3.481 -15.648 4.809 1.00 43.25 H new ATOM 0 HB2 LEU A 59 -6.431 -16.345 5.002 1.00 13.24 H new ATOM 0 HB3 LEU A 59 -5.185 -17.097 5.978 1.00 13.24 H new ATOM 0 HG LEU A 59 -5.905 -14.151 5.982 1.00 34.14 H new ATOM 0 HD11 LEU A 59 -6.731 -14.616 8.257 1.00 33.42 H new ATOM 0 HD12 LEU A 59 -7.606 -15.565 7.032 1.00 33.42 H new ATOM 0 HD13 LEU A 59 -6.358 -16.342 8.034 1.00 33.42 H new ATOM 0 HD21 LEU A 59 -4.371 -13.993 7.904 1.00 52.53 H new ATOM 0 HD22 LEU A 59 -3.911 -15.696 7.672 1.00 52.53 H new ATOM 0 HD23 LEU A 59 -3.521 -14.491 6.422 1.00 52.53 H new ATOM 949 N GLU A 60 -2.983 -17.518 3.297 1.00 43.41 N ATOM 950 CA GLU A 60 -2.635 -18.784 2.677 1.00 62.42 C ATOM 951 C GLU A 60 -3.158 -19.906 3.575 1.00 40.00 C ATOM 952 O GLU A 60 -2.801 -19.984 4.751 1.00 54.14 O ATOM 953 CB GLU A 60 -1.113 -18.857 2.483 1.00 20.34 C ATOM 954 CG GLU A 60 -0.645 -19.907 1.485 1.00 73.32 C ATOM 955 CD GLU A 60 -0.626 -21.306 2.059 1.00 71.43 C ATOM 956 OE1 GLU A 60 0.347 -21.648 2.762 1.00 1.13 O ATOM 957 OE2 GLU A 60 -1.578 -22.069 1.808 1.00 4.22 O ATOM 0 H GLU A 60 -2.183 -16.929 3.528 1.00 43.41 H new ATOM 0 HA GLU A 60 -3.089 -18.885 1.691 1.00 62.42 H new ATOM 0 HB2 GLU A 60 -0.756 -17.881 2.156 1.00 20.34 H new ATOM 0 HB3 GLU A 60 -0.647 -19.060 3.447 1.00 20.34 H new ATOM 0 HG2 GLU A 60 -1.299 -19.888 0.613 1.00 73.32 H new ATOM 0 HG3 GLU A 60 0.356 -19.649 1.139 1.00 73.32 H new ATOM 964 N HIS A 61 -4.018 -20.752 3.024 1.00 2.33 N ATOM 965 CA HIS A 61 -4.803 -21.693 3.824 1.00 13.33 C ATOM 966 C HIS A 61 -3.941 -22.734 4.532 1.00 75.44 C ATOM 967 O HIS A 61 -4.329 -23.254 5.577 1.00 22.33 O ATOM 968 CB HIS A 61 -5.853 -22.385 2.958 1.00 13.31 C ATOM 969 CG HIS A 61 -6.927 -21.465 2.469 1.00 31.55 C ATOM 970 ND1 HIS A 61 -6.974 -20.978 1.181 1.00 72.53 N ATOM 971 CD2 HIS A 61 -7.996 -20.936 3.107 1.00 73.42 C ATOM 972 CE1 HIS A 61 -8.024 -20.190 1.050 1.00 14.41 C ATOM 973 NE2 HIS A 61 -8.659 -20.148 2.203 1.00 23.40 N ATOM 0 H HIS A 61 -4.193 -20.809 2.021 1.00 2.33 H new ATOM 0 HA HIS A 61 -5.296 -21.106 4.599 1.00 13.33 H new ATOM 0 HB2 HIS A 61 -5.360 -22.843 2.100 1.00 13.31 H new ATOM 0 HB3 HIS A 61 -6.310 -23.192 3.531 1.00 13.31 H new ATOM 0 HD2 HIS A 61 -8.275 -21.103 4.137 1.00 73.42 H new ATOM 0 HE1 HIS A 61 -8.314 -19.668 0.150 1.00 14.41 H new ATOM 0 HE2 HIS A 61 -9.508 -19.615 2.393 1.00 23.40 H new ATOM 982 N HIS A 62 -2.777 -23.033 3.981 1.00 24.30 N ATOM 983 CA HIS A 62 -1.893 -24.025 4.577 1.00 14.15 C ATOM 984 C HIS A 62 -0.779 -23.350 5.370 1.00 1.04 C ATOM 985 O HIS A 62 0.157 -24.007 5.828 1.00 53.01 O ATOM 986 CB HIS A 62 -1.297 -24.930 3.498 1.00 42.41 C ATOM 987 CG HIS A 62 -2.300 -25.829 2.842 1.00 54.44 C ATOM 988 ND1 HIS A 62 -2.805 -25.609 1.579 1.00 43.22 N ATOM 989 CD2 HIS A 62 -2.885 -26.965 3.282 1.00 22.53 C ATOM 990 CE1 HIS A 62 -3.654 -26.569 1.273 1.00 3.12 C ATOM 991 NE2 HIS A 62 -3.725 -27.408 2.290 1.00 75.22 N ATOM 0 H HIS A 62 -2.421 -22.606 3.126 1.00 24.30 H new ATOM 0 HA HIS A 62 -2.483 -24.636 5.260 1.00 14.15 H new ATOM 0 HB2 HIS A 62 -0.826 -24.309 2.736 1.00 42.41 H new ATOM 0 HB3 HIS A 62 -0.511 -25.541 3.942 1.00 42.41 H new ATOM 0 HD2 HIS A 62 -2.722 -27.438 4.239 1.00 22.53 H new ATOM 0 HE1 HIS A 62 -4.200 -26.655 0.345 1.00 3.12 H new ATOM 0 HE2 HIS A 62 -4.306 -28.245 2.332 1.00 75.22 H new ATOM 1000 N HIS A 63 -0.888 -22.038 5.533 1.00 51.41 N ATOM 1001 CA HIS A 63 0.100 -21.275 6.284 1.00 52.34 C ATOM 1002 C HIS A 63 -0.192 -21.365 7.778 1.00 40.31 C ATOM 1003 O HIS A 63 -1.228 -20.890 8.243 1.00 0.23 O ATOM 1004 CB HIS A 63 0.093 -19.808 5.833 1.00 50.22 C ATOM 1005 CG HIS A 63 1.216 -18.984 6.387 1.00 22.32 C ATOM 1006 ND1 HIS A 63 2.388 -18.764 5.703 1.00 30.24 N ATOM 1007 CD2 HIS A 63 1.334 -18.309 7.555 1.00 55.11 C ATOM 1008 CE1 HIS A 63 3.179 -17.992 6.423 1.00 3.50 C ATOM 1009 NE2 HIS A 63 2.564 -17.700 7.552 1.00 72.00 N ATOM 0 H HIS A 63 -1.653 -21.479 5.154 1.00 51.41 H new ATOM 0 HA HIS A 63 1.087 -21.696 6.092 1.00 52.34 H new ATOM 0 HB2 HIS A 63 0.137 -19.775 4.744 1.00 50.22 H new ATOM 0 HB3 HIS A 63 -0.854 -19.355 6.127 1.00 50.22 H new ATOM 0 HD2 HIS A 63 0.597 -18.259 8.343 1.00 55.11 H new ATOM 0 HE1 HIS A 63 4.164 -17.656 6.136 1.00 3.50 H new ATOM 0 HE2 HIS A 63 2.940 -17.117 8.300 1.00 72.00 H new ATOM 1018 N HIS A 64 0.720 -21.976 8.518 1.00 33.03 N ATOM 1019 CA HIS A 64 0.553 -22.141 9.954 1.00 54.31 C ATOM 1020 C HIS A 64 1.150 -20.961 10.706 1.00 32.51 C ATOM 1021 O HIS A 64 1.735 -20.057 10.112 1.00 33.54 O ATOM 1022 CB HIS A 64 1.212 -23.442 10.431 1.00 22.24 C ATOM 1023 CG HIS A 64 0.515 -24.681 9.964 1.00 43.11 C ATOM 1024 ND1 HIS A 64 1.141 -25.667 9.236 1.00 34.42 N ATOM 1025 CD2 HIS A 64 -0.761 -25.101 10.140 1.00 3.43 C ATOM 1026 CE1 HIS A 64 0.284 -26.637 8.984 1.00 33.24 C ATOM 1027 NE2 HIS A 64 -0.878 -26.320 9.522 1.00 33.04 N ATOM 0 H HIS A 64 1.586 -22.367 8.147 1.00 33.03 H new ATOM 0 HA HIS A 64 -0.516 -22.188 10.161 1.00 54.31 H new ATOM 0 HB2 HIS A 64 2.244 -23.464 10.082 1.00 22.24 H new ATOM 0 HB3 HIS A 64 1.244 -23.443 11.521 1.00 22.24 H new ATOM 0 HD2 HIS A 64 -1.541 -24.574 10.669 1.00 3.43 H new ATOM 0 HE1 HIS A 64 0.498 -27.539 8.430 1.00 33.24 H new ATOM 0 HE2 HIS A 64 -1.724 -26.888 9.485 1.00 33.04 H new ATOM 1036 N HIS A 65 0.989 -20.970 12.015 1.00 10.05 N ATOM 1037 CA HIS A 65 1.590 -19.957 12.861 1.00 23.15 C ATOM 1038 C HIS A 65 2.429 -20.625 13.936 1.00 4.35 C ATOM 1039 O HIS A 65 2.279 -21.819 14.196 1.00 23.14 O ATOM 1040 CB HIS A 65 0.523 -19.057 13.507 1.00 62.43 C ATOM 1041 CG HIS A 65 -0.358 -19.752 14.507 1.00 31.24 C ATOM 1042 ND1 HIS A 65 0.009 -19.967 15.822 1.00 35.23 N ATOM 1043 CD2 HIS A 65 -1.600 -20.275 14.377 1.00 64.20 C ATOM 1044 CE1 HIS A 65 -0.967 -20.591 16.452 1.00 44.31 C ATOM 1045 NE2 HIS A 65 -1.955 -20.788 15.601 1.00 42.34 N ATOM 0 H HIS A 65 0.445 -21.671 12.518 1.00 10.05 H new ATOM 0 HA HIS A 65 2.224 -19.325 12.239 1.00 23.15 H new ATOM 0 HB2 HIS A 65 1.021 -18.221 13.999 1.00 62.43 H new ATOM 0 HB3 HIS A 65 -0.104 -18.636 12.721 1.00 62.43 H new ATOM 0 HD1 HIS A 65 0.896 -19.687 16.240 1.00 35.23 H new ATOM 0 HD2 HIS A 65 -2.200 -20.287 13.479 1.00 64.20 H new ATOM 0 HE1 HIS A 65 -0.959 -20.890 17.490 1.00 44.31 H new ATOM 1054 N HIS A 66 3.314 -19.861 14.545 1.00 2.01 N ATOM 1055 CA HIS A 66 4.103 -20.357 15.660 1.00 12.10 C ATOM 1056 C HIS A 66 3.620 -19.698 16.944 1.00 53.41 C ATOM 1057 O HIS A 66 4.456 -19.334 17.793 1.00 37.80 O ATOM 1058 CB HIS A 66 5.604 -20.106 15.438 1.00 14.34 C ATOM 1059 CG HIS A 66 5.947 -18.705 15.028 1.00 33.22 C ATOM 1060 ND1 HIS A 66 6.384 -17.744 15.911 1.00 72.25 N ATOM 1061 CD2 HIS A 66 5.920 -18.113 13.812 1.00 21.11 C ATOM 1062 CE1 HIS A 66 6.609 -16.620 15.258 1.00 54.34 C ATOM 1063 NE2 HIS A 66 6.335 -16.817 13.980 1.00 24.33 N ATOM 1064 OXT HIS A 66 2.388 -19.533 17.083 1.00 37.80 O ATOM 0 H HIS A 66 3.506 -18.893 14.288 1.00 2.01 H new ATOM 0 HA HIS A 66 3.970 -21.436 15.738 1.00 12.10 H new ATOM 0 HB2 HIS A 66 6.139 -20.343 16.358 1.00 14.34 H new ATOM 0 HB3 HIS A 66 5.965 -20.793 14.673 1.00 14.34 H new ATOM 0 HD2 HIS A 66 5.626 -18.575 12.881 1.00 21.11 H new ATOM 0 HE1 HIS A 66 6.958 -15.695 15.694 1.00 54.34 H new ATOM 0 HE2 HIS A 66 6.419 -16.120 13.240 1.00 24.33 H new TER 1073 HIS A 66