USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 721 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 53 SER OG : rot 172:sc= 0.117 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.226 USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.057 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 150:sc= 0 USER MOD Single : A 6 THR OG1 : rot -134:sc= 1.29 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0.23 (180deg=0.203) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 149:sc= -0.0219 (180deg=-0.663) USER MOD Single : A 66 GLN : amide:sc= 0.448 K(o=0.45,f=-0.15) USER MOD Single : A 70 SER OG : rot 170:sc= 0.116 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc=-0.00273 K(o=-0.0027,f=-1.8!) USER MOD Single : A 105 THR OG1 : rot -24:sc= 0.337 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.665 -18.911 10.615 1.00 53.41 N ATOM 2 CA GLY A 1 -13.091 -17.750 11.299 1.00 61.00 C ATOM 3 C GLY A 1 -13.539 -16.501 10.572 1.00 60.31 C ATOM 4 O GLY A 1 -14.677 -16.431 10.111 1.00 55.54 O ATOM 0 H1 GLY A 1 -13.885 -19.651 11.312 1.00 53.41 H new ATOM 0 H2 GLY A 1 -14.537 -18.628 10.123 1.00 53.41 H new ATOM 0 H3 GLY A 1 -12.981 -19.279 9.923 1.00 53.41 H new ATOM 0 HA2 GLY A 1 -13.418 -17.722 12.339 1.00 61.00 H new ATOM 0 HA3 GLY A 1 -12.003 -17.814 11.308 1.00 61.00 H new ATOM 8 N MET A 2 -12.650 -15.517 10.428 1.00 31.05 N ATOM 9 CA MET A 2 -12.837 -14.448 9.444 1.00 74.03 C ATOM 10 C MET A 2 -12.491 -14.996 8.058 1.00 41.42 C ATOM 11 O MET A 2 -11.857 -16.052 7.952 1.00 43.13 O ATOM 12 CB MET A 2 -11.934 -13.263 9.803 1.00 61.03 C ATOM 13 CG MET A 2 -12.393 -12.637 11.119 1.00 13.54 C ATOM 14 SD MET A 2 -11.251 -11.433 11.823 1.00 55.54 S ATOM 15 CE MET A 2 -12.475 -10.596 12.846 1.00 15.22 C ATOM 0 H MET A 2 -11.795 -15.437 10.979 1.00 31.05 H new ATOM 0 HA MET A 2 -13.871 -14.103 9.444 1.00 74.03 H new ATOM 0 HB2 MET A 2 -10.900 -13.596 9.890 1.00 61.03 H new ATOM 0 HB3 MET A 2 -11.963 -12.519 9.007 1.00 61.03 H new ATOM 0 HG2 MET A 2 -13.356 -12.152 10.958 1.00 13.54 H new ATOM 0 HG3 MET A 2 -12.554 -13.432 11.847 1.00 13.54 H new ATOM 0 HE1 MET A 2 -11.997 -9.786 13.396 1.00 15.22 H new ATOM 0 HE2 MET A 2 -13.262 -10.188 12.212 1.00 15.22 H new ATOM 0 HE3 MET A 2 -12.908 -11.307 13.550 1.00 15.22 H new ATOM 23 N LEU A 3 -12.913 -14.302 7.002 1.00 64.01 N ATOM 24 CA LEU A 3 -12.646 -14.665 5.615 1.00 21.12 C ATOM 25 C LEU A 3 -12.525 -13.377 4.794 1.00 11.10 C ATOM 26 O LEU A 3 -13.157 -13.216 3.752 1.00 15.23 O ATOM 27 CB LEU A 3 -13.771 -15.612 5.142 1.00 1.33 C ATOM 28 CG LEU A 3 -13.410 -16.628 4.041 1.00 2.32 C ATOM 29 CD1 LEU A 3 -13.197 -16.025 2.652 1.00 21.04 C ATOM 30 CD2 LEU A 3 -12.205 -17.493 4.423 1.00 32.21 C ATOM 0 H LEU A 3 -13.465 -13.449 7.092 1.00 64.01 H new ATOM 0 HA LEU A 3 -11.706 -15.203 5.492 1.00 21.12 H new ATOM 0 HB2 LEU A 3 -14.135 -16.165 6.008 1.00 1.33 H new ATOM 0 HB3 LEU A 3 -14.599 -15.002 4.782 1.00 1.33 H new ATOM 0 HG LEU A 3 -14.298 -17.256 3.970 1.00 2.32 H new ATOM 0 HD11 LEU A 3 -12.947 -16.817 1.946 1.00 21.04 H new ATOM 0 HD12 LEU A 3 -14.110 -15.525 2.329 1.00 21.04 H new ATOM 0 HD13 LEU A 3 -12.382 -15.303 2.690 1.00 21.04 H new ATOM 0 HD21 LEU A 3 -11.989 -18.193 3.616 1.00 32.21 H new ATOM 0 HD22 LEU A 3 -11.338 -16.855 4.591 1.00 32.21 H new ATOM 0 HD23 LEU A 3 -12.429 -18.048 5.334 1.00 32.21 H new ATOM 41 N LEU A 4 -11.812 -12.379 5.323 1.00 55.24 N ATOM 42 CA LEU A 4 -11.632 -11.096 4.640 1.00 41.15 C ATOM 43 C LEU A 4 -10.806 -11.355 3.388 1.00 31.11 C ATOM 44 O LEU A 4 -9.705 -11.898 3.479 1.00 61.01 O ATOM 45 CB LEU A 4 -10.912 -10.070 5.522 1.00 34.33 C ATOM 46 CG LEU A 4 -11.782 -9.497 6.656 1.00 73.34 C ATOM 47 CD1 LEU A 4 -10.939 -9.144 7.889 1.00 54.41 C ATOM 48 CD2 LEU A 4 -12.534 -8.249 6.174 1.00 64.01 C ATOM 0 H LEU A 4 -11.347 -12.437 6.229 1.00 55.24 H new ATOM 0 HA LEU A 4 -12.611 -10.681 4.399 1.00 41.15 H new ATOM 0 HB2 LEU A 4 -10.028 -10.537 5.957 1.00 34.33 H new ATOM 0 HB3 LEU A 4 -10.563 -9.249 4.896 1.00 34.33 H new ATOM 0 HG LEU A 4 -12.499 -10.268 6.940 1.00 73.34 H new ATOM 0 HD11 LEU A 4 -11.586 -8.742 8.669 1.00 54.41 H new ATOM 0 HD12 LEU A 4 -10.440 -10.040 8.257 1.00 54.41 H new ATOM 0 HD13 LEU A 4 -10.192 -8.398 7.618 1.00 54.41 H new ATOM 0 HD21 LEU A 4 -13.145 -7.856 6.987 1.00 64.01 H new ATOM 0 HD22 LEU A 4 -11.817 -7.491 5.859 1.00 64.01 H new ATOM 0 HD23 LEU A 4 -13.176 -8.513 5.333 1.00 64.01 H new ATOM 59 N SER A 5 -11.332 -10.976 2.229 1.00 3.20 N ATOM 60 CA SER A 5 -10.670 -11.194 0.954 1.00 1.42 C ATOM 61 C SER A 5 -10.021 -9.899 0.467 1.00 40.11 C ATOM 62 O SER A 5 -10.350 -8.813 0.947 1.00 63.15 O ATOM 63 CB SER A 5 -11.709 -11.718 -0.031 1.00 61.15 C ATOM 64 OG SER A 5 -12.204 -12.986 0.377 1.00 12.23 O ATOM 0 H SER A 5 -12.234 -10.507 2.150 1.00 3.20 H new ATOM 0 HA SER A 5 -9.870 -11.928 1.052 1.00 1.42 H new ATOM 0 HB2 SER A 5 -12.533 -11.009 -0.107 1.00 61.15 H new ATOM 0 HB3 SER A 5 -11.266 -11.799 -1.024 1.00 61.15 H new ATOM 0 HG SER A 5 -13.130 -13.089 0.072 1.00 12.23 H new ATOM 69 N THR A 6 -9.138 -10.009 -0.529 1.00 11.44 N ATOM 70 CA THR A 6 -8.254 -8.922 -0.951 1.00 14.34 C ATOM 71 C THR A 6 -9.044 -7.656 -1.305 1.00 54.25 C ATOM 72 O THR A 6 -8.730 -6.563 -0.831 1.00 20.32 O ATOM 73 CB THR A 6 -7.325 -9.373 -2.093 1.00 20.14 C ATOM 74 OG1 THR A 6 -6.674 -10.582 -1.767 1.00 13.24 O ATOM 75 CG2 THR A 6 -6.311 -8.267 -2.420 1.00 63.22 C ATOM 0 H THR A 6 -9.016 -10.865 -1.070 1.00 11.44 H new ATOM 0 HA THR A 6 -7.617 -8.662 -0.106 1.00 14.34 H new ATOM 0 HB THR A 6 -7.930 -9.556 -2.981 1.00 20.14 H new ATOM 0 HG1 THR A 6 -5.721 -10.509 -1.983 1.00 13.24 H new ATOM 0 HG21 THR A 6 -5.660 -8.598 -3.229 1.00 63.22 H new ATOM 0 HG22 THR A 6 -6.842 -7.366 -2.727 1.00 63.22 H new ATOM 0 HG23 THR A 6 -5.711 -8.051 -1.536 1.00 63.22 H new ATOM 83 N ASP A 7 -10.087 -7.822 -2.121 1.00 73.35 N ATOM 84 CA ASP A 7 -10.954 -6.743 -2.585 1.00 12.51 C ATOM 85 C ASP A 7 -11.546 -5.969 -1.404 1.00 74.14 C ATOM 86 O ASP A 7 -11.588 -4.739 -1.409 1.00 11.30 O ATOM 87 CB ASP A 7 -12.065 -7.364 -3.435 1.00 55.12 C ATOM 88 CG ASP A 7 -13.121 -6.355 -3.882 1.00 32.01 C ATOM 89 OD1 ASP A 7 -14.014 -6.031 -3.073 1.00 62.33 O ATOM 90 OD2 ASP A 7 -13.140 -6.017 -5.088 1.00 40.11 O ATOM 0 H ASP A 7 -10.357 -8.736 -2.485 1.00 73.35 H new ATOM 0 HA ASP A 7 -10.378 -6.033 -3.178 1.00 12.51 H new ATOM 0 HB2 ASP A 7 -11.622 -7.829 -4.315 1.00 55.12 H new ATOM 0 HB3 ASP A 7 -12.549 -8.157 -2.865 1.00 55.12 H new ATOM 94 N ILE A 8 -11.958 -6.694 -0.359 1.00 32.33 N ATOM 95 CA ILE A 8 -12.700 -6.149 0.767 1.00 42.15 C ATOM 96 C ILE A 8 -11.860 -5.103 1.498 1.00 62.31 C ATOM 97 O ILE A 8 -12.367 -4.041 1.879 1.00 55.34 O ATOM 98 CB ILE A 8 -13.130 -7.262 1.736 1.00 3.42 C ATOM 99 CG1 ILE A 8 -13.912 -8.399 1.052 1.00 73.12 C ATOM 100 CG2 ILE A 8 -13.938 -6.619 2.870 1.00 55.43 C ATOM 101 CD1 ILE A 8 -15.178 -8.001 0.293 1.00 44.13 C ATOM 0 H ILE A 8 -11.778 -7.695 -0.277 1.00 32.33 H new ATOM 0 HA ILE A 8 -13.600 -5.671 0.381 1.00 42.15 H new ATOM 0 HB ILE A 8 -12.236 -7.742 2.133 1.00 3.42 H new ATOM 0 HG12 ILE A 8 -13.241 -8.902 0.355 1.00 73.12 H new ATOM 0 HG13 ILE A 8 -14.187 -9.129 1.813 1.00 73.12 H new ATOM 0 HG21 ILE A 8 -14.256 -7.389 3.573 1.00 55.43 H new ATOM 0 HG22 ILE A 8 -13.318 -5.888 3.389 1.00 55.43 H new ATOM 0 HG23 ILE A 8 -14.815 -6.122 2.455 1.00 55.43 H new ATOM 0 HD11 ILE A 8 -15.636 -8.889 -0.142 1.00 44.13 H new ATOM 0 HD12 ILE A 8 -15.881 -7.530 0.980 1.00 44.13 H new ATOM 0 HD13 ILE A 8 -14.921 -7.300 -0.501 1.00 44.13 H new ATOM 112 N TRP A 9 -10.590 -5.424 1.754 1.00 52.23 N ATOM 113 CA TRP A 9 -9.697 -4.500 2.427 1.00 24.21 C ATOM 114 C TRP A 9 -9.455 -3.257 1.587 1.00 64.32 C ATOM 115 O TRP A 9 -9.522 -2.161 2.144 1.00 53.54 O ATOM 116 CB TRP A 9 -8.363 -5.161 2.727 1.00 34.22 C ATOM 117 CG TRP A 9 -8.408 -6.353 3.618 1.00 21.32 C ATOM 118 CD1 TRP A 9 -9.016 -6.440 4.818 1.00 52.42 C ATOM 119 CD2 TRP A 9 -7.790 -7.644 3.382 1.00 71.25 C ATOM 120 NE1 TRP A 9 -8.731 -7.668 5.377 1.00 54.22 N ATOM 121 CE2 TRP A 9 -7.996 -8.465 4.524 1.00 35.21 C ATOM 122 CE3 TRP A 9 -7.061 -8.191 2.311 1.00 75.01 C ATOM 123 CZ2 TRP A 9 -7.486 -9.769 4.602 1.00 3.53 C ATOM 124 CZ3 TRP A 9 -6.534 -9.494 2.378 1.00 22.23 C ATOM 125 CH2 TRP A 9 -6.739 -10.280 3.525 1.00 41.12 C ATOM 0 H TRP A 9 -10.165 -6.317 1.503 1.00 52.23 H new ATOM 0 HA TRP A 9 -10.178 -4.210 3.361 1.00 24.21 H new ATOM 0 HB2 TRP A 9 -7.906 -5.456 1.782 1.00 34.22 H new ATOM 0 HB3 TRP A 9 -7.706 -4.418 3.180 1.00 34.22 H new ATOM 0 HD1 TRP A 9 -9.627 -5.672 5.269 1.00 52.42 H new ATOM 0 HE1 TRP A 9 -9.028 -7.953 6.310 1.00 54.22 H new ATOM 0 HE3 TRP A 9 -6.903 -7.600 1.421 1.00 75.01 H new ATOM 0 HZ2 TRP A 9 -7.665 -10.374 5.479 1.00 3.53 H new ATOM 0 HZ3 TRP A 9 -5.971 -9.891 1.546 1.00 22.23 H new ATOM 0 HH2 TRP A 9 -6.323 -11.275 3.579 1.00 41.12 H new ATOM 135 N VAL A 10 -9.143 -3.413 0.294 1.00 31.32 N ATOM 136 CA VAL A 10 -8.906 -2.278 -0.602 1.00 62.43 C ATOM 137 C VAL A 10 -10.122 -1.352 -0.553 1.00 1.10 C ATOM 138 O VAL A 10 -9.969 -0.140 -0.394 1.00 32.20 O ATOM 139 CB VAL A 10 -8.615 -2.768 -2.040 1.00 31.23 C ATOM 140 CG1 VAL A 10 -8.440 -1.583 -3.007 1.00 35.54 C ATOM 141 CG2 VAL A 10 -7.350 -3.640 -2.103 1.00 22.01 C ATOM 0 H VAL A 10 -9.049 -4.323 -0.156 1.00 31.32 H new ATOM 0 HA VAL A 10 -8.027 -1.723 -0.275 1.00 62.43 H new ATOM 0 HB VAL A 10 -9.476 -3.366 -2.340 1.00 31.23 H new ATOM 0 HG11 VAL A 10 -8.237 -1.959 -4.010 1.00 35.54 H new ATOM 0 HG12 VAL A 10 -9.352 -0.987 -3.021 1.00 35.54 H new ATOM 0 HG13 VAL A 10 -7.607 -0.963 -2.676 1.00 35.54 H new ATOM 0 HG21 VAL A 10 -7.182 -3.963 -3.130 1.00 22.01 H new ATOM 0 HG22 VAL A 10 -6.492 -3.062 -1.759 1.00 22.01 H new ATOM 0 HG23 VAL A 10 -7.478 -4.514 -1.464 1.00 22.01 H new ATOM 151 N ALA A 11 -11.323 -1.933 -0.637 1.00 13.44 N ATOM 152 CA ALA A 11 -12.575 -1.205 -0.679 1.00 75.05 C ATOM 153 C ALA A 11 -12.705 -0.240 0.503 1.00 51.45 C ATOM 154 O ALA A 11 -12.975 0.946 0.309 1.00 33.40 O ATOM 155 CB ALA A 11 -13.727 -2.224 -0.761 1.00 53.55 C ATOM 0 H ALA A 11 -11.444 -2.945 -0.678 1.00 13.44 H new ATOM 0 HA ALA A 11 -12.612 -0.572 -1.565 1.00 75.05 H new ATOM 0 HB1 ALA A 11 -14.679 -1.695 -0.794 1.00 53.55 H new ATOM 0 HB2 ALA A 11 -13.616 -2.827 -1.662 1.00 53.55 H new ATOM 0 HB3 ALA A 11 -13.702 -2.873 0.115 1.00 53.55 H new ATOM 161 N ALA A 12 -12.483 -0.734 1.724 1.00 54.11 N ATOM 162 CA ALA A 12 -12.579 0.076 2.930 1.00 2.14 C ATOM 163 C ALA A 12 -11.440 1.082 3.041 1.00 1.33 C ATOM 164 O ALA A 12 -11.681 2.240 3.367 1.00 4.54 O ATOM 165 CB ALA A 12 -12.574 -0.822 4.158 1.00 52.42 C ATOM 0 H ALA A 12 -12.232 -1.707 1.899 1.00 54.11 H new ATOM 0 HA ALA A 12 -13.514 0.633 2.871 1.00 2.14 H new ATOM 0 HB1 ALA A 12 -12.646 -0.210 5.057 1.00 52.42 H new ATOM 0 HB2 ALA A 12 -13.424 -1.503 4.114 1.00 52.42 H new ATOM 0 HB3 ALA A 12 -11.649 -1.397 4.184 1.00 52.42 H new ATOM 171 N LEU A 13 -10.198 0.651 2.827 1.00 60.33 N ATOM 172 CA LEU A 13 -9.020 1.509 2.889 1.00 72.32 C ATOM 173 C LEU A 13 -9.182 2.733 1.984 1.00 74.11 C ATOM 174 O LEU A 13 -8.928 3.853 2.435 1.00 43.44 O ATOM 175 CB LEU A 13 -7.767 0.673 2.582 1.00 0.30 C ATOM 176 CG LEU A 13 -6.541 1.514 2.185 1.00 11.31 C ATOM 177 CD1 LEU A 13 -6.017 2.372 3.348 1.00 24.14 C ATOM 178 CD2 LEU A 13 -5.405 0.627 1.694 1.00 31.33 C ATOM 0 H LEU A 13 -9.980 -0.320 2.602 1.00 60.33 H new ATOM 0 HA LEU A 13 -8.901 1.910 3.895 1.00 72.32 H new ATOM 0 HB2 LEU A 13 -7.517 0.075 3.458 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -7.995 -0.023 1.775 1.00 0.30 H new ATOM 0 HG LEU A 13 -6.876 2.174 1.385 1.00 11.31 H new ATOM 0 HD11 LEU A 13 -5.152 2.946 3.016 1.00 24.14 H new ATOM 0 HD12 LEU A 13 -6.800 3.054 3.678 1.00 24.14 H new ATOM 0 HD13 LEU A 13 -5.727 1.725 4.176 1.00 24.14 H new ATOM 0 HD21 LEU A 13 -4.551 1.247 1.420 1.00 31.33 H new ATOM 0 HD22 LEU A 13 -5.113 -0.062 2.486 1.00 31.33 H new ATOM 0 HD23 LEU A 13 -5.736 0.060 0.824 1.00 31.33 H new ATOM 189 N ILE A 14 -9.634 2.553 0.741 1.00 41.35 N ATOM 190 CA ILE A 14 -9.875 3.675 -0.161 1.00 34.52 C ATOM 191 C ILE A 14 -10.848 4.661 0.474 1.00 12.13 C ATOM 192 O ILE A 14 -10.542 5.850 0.561 1.00 0.23 O ATOM 193 CB ILE A 14 -10.305 3.145 -1.548 1.00 74.25 C ATOM 194 CG1 ILE A 14 -9.083 2.569 -2.291 1.00 61.54 C ATOM 195 CG2 ILE A 14 -10.986 4.208 -2.423 1.00 13.41 C ATOM 196 CD1 ILE A 14 -7.970 3.586 -2.548 1.00 55.04 C ATOM 0 H ILE A 14 -9.840 1.639 0.338 1.00 41.35 H new ATOM 0 HA ILE A 14 -8.959 4.241 -0.329 1.00 34.52 H new ATOM 0 HB ILE A 14 -11.045 2.365 -1.366 1.00 74.25 H new ATOM 0 HG12 ILE A 14 -8.676 1.741 -1.711 1.00 61.54 H new ATOM 0 HG13 ILE A 14 -9.412 2.158 -3.245 1.00 61.54 H new ATOM 0 HG21 ILE A 14 -11.262 3.768 -3.382 1.00 13.41 H new ATOM 0 HG22 ILE A 14 -11.882 4.574 -1.921 1.00 13.41 H new ATOM 0 HG23 ILE A 14 -10.299 5.038 -2.589 1.00 13.41 H new ATOM 0 HD11 ILE A 14 -7.148 3.101 -3.074 1.00 55.04 H new ATOM 0 HD12 ILE A 14 -8.358 4.404 -3.156 1.00 55.04 H new ATOM 0 HD13 ILE A 14 -7.610 3.979 -1.597 1.00 55.04 H new ATOM 207 N ARG A 15 -11.968 4.157 0.996 1.00 2.24 N ATOM 208 CA ARG A 15 -12.953 5.014 1.658 1.00 4.11 C ATOM 209 C ARG A 15 -12.319 5.762 2.817 1.00 73.14 C ATOM 210 O ARG A 15 -12.494 6.968 2.917 1.00 32.11 O ATOM 211 CB ARG A 15 -14.195 4.240 2.128 1.00 21.10 C ATOM 212 CG ARG A 15 -15.042 3.767 0.939 1.00 33.10 C ATOM 213 CD ARG A 15 -16.530 4.099 1.109 1.00 43.03 C ATOM 214 NE ARG A 15 -17.207 4.070 -0.196 1.00 74.13 N ATOM 215 CZ ARG A 15 -17.966 3.092 -0.698 1.00 54.15 C ATOM 216 NH1 ARG A 15 -18.304 2.043 0.041 1.00 72.33 N ATOM 217 NH2 ARG A 15 -18.392 3.165 -1.949 1.00 41.45 N ATOM 0 H ARG A 15 -12.214 3.167 0.974 1.00 2.24 H new ATOM 0 HA ARG A 15 -13.294 5.734 0.914 1.00 4.11 H new ATOM 0 HB2 ARG A 15 -13.886 3.380 2.722 1.00 21.10 H new ATOM 0 HB3 ARG A 15 -14.798 4.876 2.777 1.00 21.10 H new ATOM 0 HG2 ARG A 15 -14.671 4.232 0.025 1.00 33.10 H new ATOM 0 HG3 ARG A 15 -14.925 2.690 0.819 1.00 33.10 H new ATOM 0 HD2 ARG A 15 -16.996 3.382 1.785 1.00 43.03 H new ATOM 0 HD3 ARG A 15 -16.641 5.084 1.563 1.00 43.03 H new ATOM 0 HE ARG A 15 -17.083 4.892 -0.787 1.00 74.13 H new ATOM 0 HH11 ARG A 15 -17.984 1.975 1.007 1.00 72.33 H new ATOM 0 HH12 ARG A 15 -18.884 1.304 -0.357 1.00 72.33 H new ATOM 0 HH21 ARG A 15 -18.141 3.967 -2.527 1.00 41.45 H new ATOM 0 HH22 ARG A 15 -18.972 2.420 -2.335 1.00 41.45 H new ATOM 228 N ARG A 16 -11.568 5.077 3.682 1.00 53.45 N ATOM 229 CA ARG A 16 -10.928 5.670 4.857 1.00 63.24 C ATOM 230 C ARG A 16 -10.064 6.877 4.492 1.00 54.02 C ATOM 231 O ARG A 16 -10.078 7.855 5.242 1.00 64.31 O ATOM 232 CB ARG A 16 -10.061 4.603 5.560 1.00 33.14 C ATOM 233 CG ARG A 16 -10.887 3.552 6.307 1.00 1.12 C ATOM 234 CD ARG A 16 -10.143 2.229 6.543 1.00 73.21 C ATOM 235 NE ARG A 16 -10.854 1.445 7.561 1.00 54.54 N ATOM 236 CZ ARG A 16 -10.460 0.315 8.152 1.00 54.53 C ATOM 237 NH1 ARG A 16 -9.312 -0.279 7.850 1.00 41.12 N ATOM 238 NH2 ARG A 16 -11.225 -0.238 9.082 1.00 55.52 N ATOM 0 H ARG A 16 -11.385 4.078 3.584 1.00 53.45 H new ATOM 0 HA ARG A 16 -11.714 6.020 5.526 1.00 63.24 H new ATOM 0 HB2 ARG A 16 -9.436 4.105 4.818 1.00 33.14 H new ATOM 0 HB3 ARG A 16 -9.389 5.095 6.263 1.00 33.14 H new ATOM 0 HG2 ARG A 16 -11.194 3.962 7.269 1.00 1.12 H new ATOM 0 HG3 ARG A 16 -11.797 3.350 5.742 1.00 1.12 H new ATOM 0 HD2 ARG A 16 -10.078 1.664 5.613 1.00 73.21 H new ATOM 0 HD3 ARG A 16 -9.121 2.426 6.868 1.00 73.21 H new ATOM 0 HE ARG A 16 -11.761 1.809 7.852 1.00 54.54 H new ATOM 0 HH11 ARG A 16 -8.697 0.128 7.145 1.00 41.12 H new ATOM 0 HH12 ARG A 16 -9.044 -1.142 8.323 1.00 41.12 H new ATOM 0 HH21 ARG A 16 -12.109 0.200 9.342 1.00 55.52 H new ATOM 0 HH22 ARG A 16 -10.930 -1.102 9.538 1.00 55.52 H new ATOM 249 N ALA A 17 -9.314 6.798 3.394 1.00 12.20 N ATOM 250 CA ALA A 17 -8.433 7.856 2.923 1.00 63.42 C ATOM 251 C ALA A 17 -9.195 9.022 2.312 1.00 34.32 C ATOM 252 O ALA A 17 -8.945 10.178 2.659 1.00 51.21 O ATOM 253 CB ALA A 17 -7.524 7.274 1.853 1.00 1.34 C ATOM 0 H ALA A 17 -9.305 5.973 2.794 1.00 12.20 H new ATOM 0 HA ALA A 17 -7.876 8.233 3.781 1.00 63.42 H new ATOM 0 HB1 ALA A 17 -6.853 8.050 1.484 1.00 1.34 H new ATOM 0 HB2 ALA A 17 -6.938 6.459 2.278 1.00 1.34 H new ATOM 0 HB3 ALA A 17 -8.128 6.895 1.029 1.00 1.34 H new ATOM 259 N GLU A 18 -10.106 8.709 1.391 1.00 0.23 N ATOM 260 CA GLU A 18 -10.967 9.661 0.702 1.00 44.24 C ATOM 261 C GLU A 18 -11.701 10.523 1.738 1.00 31.34 C ATOM 262 O GLU A 18 -11.626 11.753 1.688 1.00 51.04 O ATOM 263 CB GLU A 18 -11.982 8.888 -0.150 1.00 63.41 C ATOM 264 CG GLU A 18 -11.471 8.379 -1.508 1.00 42.31 C ATOM 265 CD GLU A 18 -12.580 7.558 -2.213 1.00 20.52 C ATOM 266 OE1 GLU A 18 -13.249 6.703 -1.582 1.00 0.31 O ATOM 267 OE2 GLU A 18 -12.866 7.764 -3.419 1.00 3.24 O ATOM 0 H GLU A 18 -10.268 7.746 1.095 1.00 0.23 H new ATOM 0 HA GLU A 18 -10.371 10.308 0.058 1.00 44.24 H new ATOM 0 HB2 GLU A 18 -12.335 8.033 0.427 1.00 63.41 H new ATOM 0 HB3 GLU A 18 -12.844 9.532 -0.326 1.00 63.41 H new ATOM 0 HG2 GLU A 18 -11.176 9.221 -2.134 1.00 42.31 H new ATOM 0 HG3 GLU A 18 -10.584 7.762 -1.365 1.00 42.31 H new ATOM 272 N LEU A 19 -12.319 9.853 2.720 1.00 74.23 N ATOM 273 CA LEU A 19 -13.032 10.381 3.878 1.00 31.44 C ATOM 274 C LEU A 19 -12.158 11.330 4.699 1.00 14.44 C ATOM 275 O LEU A 19 -12.626 12.395 5.115 1.00 55.35 O ATOM 276 CB LEU A 19 -13.429 9.147 4.704 1.00 20.43 C ATOM 277 CG LEU A 19 -14.086 9.366 6.069 1.00 32.13 C ATOM 278 CD1 LEU A 19 -15.521 9.845 5.912 1.00 32.41 C ATOM 279 CD2 LEU A 19 -14.115 8.007 6.777 1.00 54.41 C ATOM 0 H LEU A 19 -12.330 8.833 2.718 1.00 74.23 H new ATOM 0 HA LEU A 19 -13.898 10.969 3.575 1.00 31.44 H new ATOM 0 HB2 LEU A 19 -14.110 8.548 4.100 1.00 20.43 H new ATOM 0 HB3 LEU A 19 -12.531 8.549 4.860 1.00 20.43 H new ATOM 0 HG LEU A 19 -13.527 10.116 6.628 1.00 32.13 H new ATOM 0 HD11 LEU A 19 -15.965 9.993 6.896 1.00 32.41 H new ATOM 0 HD12 LEU A 19 -15.532 10.787 5.364 1.00 32.41 H new ATOM 0 HD13 LEU A 19 -16.096 9.099 5.363 1.00 32.41 H new ATOM 0 HD21 LEU A 19 -14.577 8.118 7.758 1.00 54.41 H new ATOM 0 HD22 LEU A 19 -14.692 7.299 6.182 1.00 54.41 H new ATOM 0 HD23 LEU A 19 -13.097 7.637 6.895 1.00 54.41 H new ATOM 290 N GLY A 20 -10.900 10.944 4.928 1.00 14.02 N ATOM 291 CA GLY A 20 -9.921 11.746 5.640 1.00 64.23 C ATOM 292 C GLY A 20 -9.488 12.982 4.851 1.00 33.41 C ATOM 293 O GLY A 20 -8.943 13.914 5.447 1.00 71.35 O ATOM 0 H GLY A 20 -10.533 10.045 4.614 1.00 14.02 H new ATOM 0 HA2 GLY A 20 -10.339 12.058 6.597 1.00 64.23 H new ATOM 0 HA3 GLY A 20 -9.046 11.134 5.859 1.00 64.23 H new ATOM 297 N GLY A 21 -9.779 13.026 3.548 1.00 44.31 N ATOM 298 CA GLY A 21 -9.603 14.193 2.715 1.00 43.25 C ATOM 299 C GLY A 21 -8.306 14.173 1.922 1.00 71.55 C ATOM 300 O GLY A 21 -7.806 15.266 1.632 1.00 44.44 O ATOM 0 H GLY A 21 -10.153 12.224 3.041 1.00 44.31 H new ATOM 0 HA2 GLY A 21 -10.443 14.268 2.024 1.00 43.25 H new ATOM 0 HA3 GLY A 21 -9.625 15.085 3.341 1.00 43.25 H new ATOM 304 N ALA A 22 -7.775 13.003 1.543 1.00 23.21 N ATOM 305 CA ALA A 22 -6.629 12.909 0.642 1.00 54.01 C ATOM 306 C ALA A 22 -7.085 12.160 -0.607 1.00 43.11 C ATOM 307 O ALA A 22 -8.174 11.575 -0.624 1.00 21.13 O ATOM 308 CB ALA A 22 -5.432 12.225 1.329 1.00 64.41 C ATOM 0 H ALA A 22 -8.130 12.099 1.854 1.00 23.21 H new ATOM 0 HA ALA A 22 -6.279 13.903 0.363 1.00 54.01 H new ATOM 0 HB1 ALA A 22 -4.595 12.170 0.633 1.00 64.41 H new ATOM 0 HB2 ALA A 22 -5.137 12.802 2.206 1.00 64.41 H new ATOM 0 HB3 ALA A 22 -5.715 11.218 1.636 1.00 64.41 H new ATOM 314 N PHE A 23 -6.268 12.184 -1.657 1.00 23.40 N ATOM 315 CA PHE A 23 -6.442 11.308 -2.805 1.00 14.42 C ATOM 316 C PHE A 23 -6.015 9.914 -2.369 1.00 54.32 C ATOM 317 O PHE A 23 -4.974 9.735 -1.732 1.00 11.13 O ATOM 318 CB PHE A 23 -5.567 11.801 -3.981 1.00 0.40 C ATOM 319 CG PHE A 23 -6.299 12.189 -5.254 1.00 33.24 C ATOM 320 CD1 PHE A 23 -7.282 13.197 -5.238 1.00 31.11 C ATOM 321 CD2 PHE A 23 -5.933 11.598 -6.481 1.00 41.21 C ATOM 322 CE1 PHE A 23 -7.898 13.601 -6.437 1.00 21.40 C ATOM 323 CE2 PHE A 23 -6.545 12.009 -7.678 1.00 23.53 C ATOM 324 CZ PHE A 23 -7.527 13.012 -7.659 1.00 32.53 C ATOM 0 H PHE A 23 -5.468 12.812 -1.733 1.00 23.40 H new ATOM 0 HA PHE A 23 -7.478 11.303 -3.143 1.00 14.42 H new ATOM 0 HB2 PHE A 23 -4.993 12.663 -3.641 1.00 0.40 H new ATOM 0 HB3 PHE A 23 -4.850 11.017 -4.225 1.00 0.40 H new ATOM 0 HD1 PHE A 23 -7.564 13.661 -4.304 1.00 31.11 H new ATOM 0 HD2 PHE A 23 -5.179 10.826 -6.501 1.00 41.21 H new ATOM 0 HE1 PHE A 23 -8.659 14.367 -6.419 1.00 21.40 H new ATOM 0 HE2 PHE A 23 -6.259 11.552 -8.614 1.00 23.53 H new ATOM 0 HZ PHE A 23 -7.995 13.330 -8.579 1.00 32.53 H new ATOM 333 N ALA A 24 -6.799 8.922 -2.763 1.00 63.35 N ATOM 334 CA ALA A 24 -6.411 7.532 -2.760 1.00 22.42 C ATOM 335 C ALA A 24 -7.130 6.878 -3.923 1.00 55.43 C ATOM 336 O ALA A 24 -8.258 7.263 -4.243 1.00 35.42 O ATOM 337 CB ALA A 24 -6.820 6.884 -1.444 1.00 43.43 C ATOM 0 H ALA A 24 -7.749 9.073 -3.102 1.00 63.35 H new ATOM 0 HA ALA A 24 -5.332 7.419 -2.861 1.00 22.42 H new ATOM 0 HB1 ALA A 24 -6.524 5.835 -1.448 1.00 43.43 H new ATOM 0 HB2 ALA A 24 -6.328 7.397 -0.618 1.00 43.43 H new ATOM 0 HB3 ALA A 24 -7.901 6.956 -1.323 1.00 43.43 H new ATOM 343 N THR A 25 -6.521 5.864 -4.528 1.00 15.10 N ATOM 344 CA THR A 25 -7.219 5.106 -5.535 1.00 33.51 C ATOM 345 C THR A 25 -6.517 3.766 -5.701 1.00 61.32 C ATOM 346 O THR A 25 -5.406 3.545 -5.205 1.00 61.31 O ATOM 347 CB THR A 25 -7.324 5.933 -6.823 1.00 2.03 C ATOM 348 OG1 THR A 25 -8.459 5.523 -7.563 1.00 71.43 O ATOM 349 CG2 THR A 25 -6.084 5.857 -7.707 1.00 40.44 C ATOM 0 H THR A 25 -5.566 5.560 -4.338 1.00 15.10 H new ATOM 0 HA THR A 25 -8.247 4.890 -5.243 1.00 33.51 H new ATOM 0 HB THR A 25 -7.419 6.973 -6.512 1.00 2.03 H new ATOM 0 HG1 THR A 25 -8.524 6.054 -8.384 1.00 71.43 H new ATOM 0 HG21 THR A 25 -6.234 6.467 -8.598 1.00 40.44 H new ATOM 0 HG22 THR A 25 -5.220 6.228 -7.155 1.00 40.44 H new ATOM 0 HG23 THR A 25 -5.910 4.822 -8.001 1.00 40.44 H new ATOM 357 N VAL A 26 -7.206 2.860 -6.383 1.00 55.05 N ATOM 358 CA VAL A 26 -6.685 1.572 -6.784 1.00 3.44 C ATOM 359 C VAL A 26 -6.250 1.720 -8.237 1.00 31.34 C ATOM 360 O VAL A 26 -7.013 2.207 -9.073 1.00 32.20 O ATOM 361 CB VAL A 26 -7.731 0.480 -6.512 1.00 24.43 C ATOM 362 CG1 VAL A 26 -9.085 0.680 -7.203 1.00 40.34 C ATOM 363 CG2 VAL A 26 -7.190 -0.903 -6.883 1.00 75.34 C ATOM 0 H VAL A 26 -8.171 3.012 -6.678 1.00 55.05 H new ATOM 0 HA VAL A 26 -5.815 1.253 -6.210 1.00 3.44 H new ATOM 0 HB VAL A 26 -7.917 0.557 -5.441 1.00 24.43 H new ATOM 0 HG11 VAL A 26 -9.750 -0.144 -6.946 1.00 40.34 H new ATOM 0 HG12 VAL A 26 -9.527 1.620 -6.872 1.00 40.34 H new ATOM 0 HG13 VAL A 26 -8.942 0.707 -8.283 1.00 40.34 H new ATOM 0 HG21 VAL A 26 -7.950 -1.657 -6.681 1.00 75.34 H new ATOM 0 HG22 VAL A 26 -6.934 -0.921 -7.942 1.00 75.34 H new ATOM 0 HG23 VAL A 26 -6.300 -1.117 -6.291 1.00 75.34 H new ATOM 373 N ALA A 27 -5.007 1.336 -8.516 1.00 4.00 N ATOM 374 CA ALA A 27 -4.363 1.478 -9.812 1.00 54.11 C ATOM 375 C ALA A 27 -4.011 0.122 -10.431 1.00 21.30 C ATOM 376 O ALA A 27 -3.521 0.073 -11.562 1.00 33.10 O ATOM 377 CB ALA A 27 -3.121 2.364 -9.656 1.00 40.25 C ATOM 0 H ALA A 27 -4.402 0.902 -7.819 1.00 4.00 H new ATOM 0 HA ALA A 27 -5.062 1.952 -10.501 1.00 54.11 H new ATOM 0 HB1 ALA A 27 -2.631 2.477 -10.623 1.00 40.25 H new ATOM 0 HB2 ALA A 27 -3.418 3.344 -9.283 1.00 40.25 H new ATOM 0 HB3 ALA A 27 -2.430 1.902 -8.951 1.00 40.25 H new ATOM 383 N ARG A 28 -4.234 -0.997 -9.728 1.00 2.11 N ATOM 384 CA ARG A 28 -4.053 -2.335 -10.293 1.00 24.23 C ATOM 385 C ARG A 28 -5.045 -3.296 -9.655 1.00 0.34 C ATOM 386 O ARG A 28 -5.301 -3.192 -8.453 1.00 43.44 O ATOM 387 CB ARG A 28 -2.614 -2.814 -10.084 1.00 61.55 C ATOM 388 CG ARG A 28 -2.109 -3.830 -11.120 1.00 73.32 C ATOM 389 CD ARG A 28 -1.053 -3.224 -12.066 1.00 23.41 C ATOM 390 NE ARG A 28 -1.640 -2.946 -13.386 1.00 32.10 N ATOM 391 CZ ARG A 28 -1.291 -2.015 -14.274 1.00 34.54 C ATOM 392 NH1 ARG A 28 -0.210 -1.268 -14.091 1.00 24.33 N ATOM 393 NH2 ARG A 28 -2.033 -1.849 -15.360 1.00 2.03 N ATOM 0 H ARG A 28 -4.544 -0.997 -8.756 1.00 2.11 H new ATOM 0 HA ARG A 28 -4.240 -2.300 -11.366 1.00 24.23 H new ATOM 0 HB2 ARG A 28 -1.953 -1.947 -10.096 1.00 61.55 H new ATOM 0 HB3 ARG A 28 -2.536 -3.260 -9.093 1.00 61.55 H new ATOM 0 HG2 ARG A 28 -1.681 -4.690 -10.604 1.00 73.32 H new ATOM 0 HG3 ARG A 28 -2.951 -4.197 -11.706 1.00 73.32 H new ATOM 0 HD2 ARG A 28 -0.658 -2.304 -11.637 1.00 23.41 H new ATOM 0 HD3 ARG A 28 -0.214 -3.912 -12.172 1.00 23.41 H new ATOM 0 HE ARG A 28 -2.419 -3.546 -13.658 1.00 32.10 H new ATOM 0 HH11 ARG A 28 0.368 -1.402 -13.261 1.00 24.33 H new ATOM 0 HH12 ARG A 28 0.043 -0.560 -14.780 1.00 24.33 H new ATOM 0 HH21 ARG A 28 -2.859 -2.430 -15.507 1.00 2.03 H new ATOM 0 HH22 ARG A 28 -1.778 -1.141 -16.048 1.00 2.03 H new ATOM 404 N LYS A 29 -5.567 -4.218 -10.457 1.00 61.41 N ATOM 405 CA LYS A 29 -6.424 -5.323 -10.062 1.00 24.23 C ATOM 406 C LYS A 29 -5.525 -6.476 -9.623 1.00 22.10 C ATOM 407 O LYS A 29 -4.401 -6.617 -10.112 1.00 44.44 O ATOM 408 CB LYS A 29 -7.250 -5.717 -11.306 1.00 53.14 C ATOM 409 CG LYS A 29 -8.440 -6.669 -11.091 1.00 74.32 C ATOM 410 CD LYS A 29 -9.793 -5.951 -10.978 1.00 44.44 C ATOM 411 CE LYS A 29 -10.047 -5.366 -9.585 1.00 62.42 C ATOM 412 NZ LYS A 29 -11.353 -4.679 -9.529 1.00 64.13 N ATOM 0 H LYS A 29 -5.390 -4.210 -11.462 1.00 61.41 H new ATOM 0 HA LYS A 29 -7.093 -5.063 -9.241 1.00 24.23 H new ATOM 0 HB2 LYS A 29 -7.628 -4.803 -11.763 1.00 53.14 H new ATOM 0 HB3 LYS A 29 -6.575 -6.178 -12.027 1.00 53.14 H new ATOM 0 HG2 LYS A 29 -8.482 -7.376 -11.919 1.00 74.32 H new ATOM 0 HG3 LYS A 29 -8.270 -7.250 -10.184 1.00 74.32 H new ATOM 0 HD2 LYS A 29 -9.835 -5.150 -11.716 1.00 44.44 H new ATOM 0 HD3 LYS A 29 -10.591 -6.652 -11.223 1.00 44.44 H new ATOM 0 HE2 LYS A 29 -10.019 -6.163 -8.842 1.00 62.42 H new ATOM 0 HE3 LYS A 29 -9.252 -4.665 -9.331 1.00 62.42 H new ATOM 0 HZ1 LYS A 29 -11.501 -4.292 -8.575 1.00 64.13 H new ATOM 0 HZ2 LYS A 29 -11.368 -3.905 -10.223 1.00 64.13 H new ATOM 0 HZ3 LYS A 29 -12.111 -5.356 -9.749 1.00 64.13 H new ATOM 422 N GLY A 30 -6.064 -7.347 -8.787 1.00 32.42 N ATOM 423 CA GLY A 30 -5.458 -8.586 -8.341 1.00 34.41 C ATOM 424 C GLY A 30 -6.564 -9.610 -8.127 1.00 21.33 C ATOM 425 O GLY A 30 -7.727 -9.316 -8.426 1.00 40.55 O ATOM 0 H GLY A 30 -6.987 -7.199 -8.380 1.00 32.42 H new ATOM 0 HA2 GLY A 30 -4.744 -8.947 -9.081 1.00 34.41 H new ATOM 0 HA3 GLY A 30 -4.904 -8.426 -7.416 1.00 34.41 H new ATOM 429 N ASP A 31 -6.260 -10.774 -7.540 1.00 11.41 N ATOM 430 CA ASP A 31 -7.144 -11.962 -7.606 1.00 35.01 C ATOM 431 C ASP A 31 -8.370 -11.908 -6.682 1.00 4.11 C ATOM 432 O ASP A 31 -8.958 -12.935 -6.352 1.00 55.41 O ATOM 433 CB ASP A 31 -6.348 -13.260 -7.328 1.00 61.12 C ATOM 434 CG ASP A 31 -6.496 -14.247 -8.493 1.00 71.34 C ATOM 435 OD1 ASP A 31 -7.634 -14.420 -8.999 1.00 15.30 O ATOM 436 OD2 ASP A 31 -5.467 -14.812 -8.919 1.00 11.22 O ATOM 0 H ASP A 31 -5.403 -10.927 -7.008 1.00 11.41 H new ATOM 0 HA ASP A 31 -7.530 -11.960 -8.625 1.00 35.01 H new ATOM 0 HB2 ASP A 31 -5.295 -13.022 -7.178 1.00 61.12 H new ATOM 0 HB3 ASP A 31 -6.705 -13.721 -6.407 1.00 61.12 H new ATOM 440 N ALA A 32 -8.803 -10.711 -6.286 1.00 15.43 N ATOM 441 CA ALA A 32 -9.869 -10.292 -5.366 1.00 35.14 C ATOM 442 C ALA A 32 -9.972 -11.034 -4.029 1.00 54.51 C ATOM 443 O ALA A 32 -10.724 -10.603 -3.151 1.00 0.43 O ATOM 444 CB ALA A 32 -11.209 -10.275 -6.105 1.00 1.34 C ATOM 0 H ALA A 32 -8.342 -9.883 -6.662 1.00 15.43 H new ATOM 0 HA ALA A 32 -9.581 -9.288 -5.053 1.00 35.14 H new ATOM 0 HB1 ALA A 32 -11.998 -9.964 -5.420 1.00 1.34 H new ATOM 0 HB2 ALA A 32 -11.156 -9.575 -6.939 1.00 1.34 H new ATOM 0 HB3 ALA A 32 -11.429 -11.274 -6.482 1.00 1.34 H new ATOM 450 N ARG A 33 -9.217 -12.105 -3.845 1.00 72.12 N ATOM 451 CA ARG A 33 -9.339 -13.116 -2.820 1.00 31.34 C ATOM 452 C ARG A 33 -7.959 -13.619 -2.463 1.00 51.31 C ATOM 453 O ARG A 33 -7.572 -13.475 -1.308 1.00 51.42 O ATOM 454 CB ARG A 33 -10.195 -14.270 -3.347 1.00 52.41 C ATOM 455 CG ARG A 33 -11.702 -14.098 -3.147 1.00 52.54 C ATOM 456 CD ARG A 33 -12.333 -15.494 -3.217 1.00 13.41 C ATOM 457 NE ARG A 33 -13.801 -15.463 -3.163 1.00 75.22 N ATOM 458 CZ ARG A 33 -14.529 -15.439 -2.042 1.00 2.15 C ATOM 459 NH1 ARG A 33 -13.951 -15.338 -0.850 1.00 42.14 N ATOM 460 NH2 ARG A 33 -15.850 -15.528 -2.115 1.00 52.31 N ATOM 0 H ARG A 33 -8.434 -12.302 -4.468 1.00 72.12 H new ATOM 0 HA ARG A 33 -9.814 -12.696 -1.933 1.00 31.34 H new ATOM 0 HB2 ARG A 33 -9.996 -14.394 -4.412 1.00 52.41 H new ATOM 0 HB3 ARG A 33 -9.881 -15.190 -2.855 1.00 52.41 H new ATOM 0 HG2 ARG A 33 -11.911 -13.629 -2.185 1.00 52.54 H new ATOM 0 HG3 ARG A 33 -12.120 -13.448 -3.916 1.00 52.54 H new ATOM 0 HD2 ARG A 33 -12.019 -15.983 -4.139 1.00 13.41 H new ATOM 0 HD3 ARG A 33 -11.957 -16.099 -2.392 1.00 13.41 H new ATOM 0 HE ARG A 33 -14.304 -15.460 -4.050 1.00 75.22 H new ATOM 0 HH11 ARG A 33 -12.935 -15.277 -0.779 1.00 42.14 H new ATOM 0 HH12 ARG A 33 -14.523 -15.321 -0.006 1.00 42.14 H new ATOM 0 HH21 ARG A 33 -16.306 -15.614 -3.023 1.00 52.31 H new ATOM 0 HH22 ARG A 33 -16.410 -15.510 -1.263 1.00 52.31 H new ATOM 471 N ALA A 34 -7.224 -14.168 -3.432 1.00 55.14 N ATOM 472 CA ALA A 34 -5.880 -14.675 -3.214 1.00 63.35 C ATOM 473 C ALA A 34 -4.838 -13.721 -3.762 1.00 20.34 C ATOM 474 O ALA A 34 -3.771 -14.137 -4.214 1.00 71.21 O ATOM 475 CB ALA A 34 -5.732 -16.094 -3.782 1.00 74.25 C ATOM 0 H ALA A 34 -7.552 -14.271 -4.392 1.00 55.14 H new ATOM 0 HA ALA A 34 -5.708 -14.741 -2.140 1.00 63.35 H new ATOM 0 HB1 ALA A 34 -4.718 -16.452 -3.607 1.00 74.25 H new ATOM 0 HB2 ALA A 34 -6.442 -16.759 -3.290 1.00 74.25 H new ATOM 0 HB3 ALA A 34 -5.932 -16.080 -4.853 1.00 74.25 H new ATOM 481 N GLY A 35 -5.149 -12.432 -3.741 1.00 24.12 N ATOM 482 CA GLY A 35 -4.304 -11.424 -4.317 1.00 53.41 C ATOM 483 C GLY A 35 -3.457 -10.739 -3.248 1.00 72.34 C ATOM 484 O GLY A 35 -3.960 -10.456 -2.154 1.00 61.42 O ATOM 0 H GLY A 35 -6.002 -12.066 -3.319 1.00 24.12 H new ATOM 0 HA2 GLY A 35 -3.654 -11.875 -5.066 1.00 53.41 H new ATOM 0 HA3 GLY A 35 -4.916 -10.682 -4.831 1.00 53.41 H new ATOM 488 N ALA A 36 -2.196 -10.440 -3.582 1.00 72.14 N ATOM 489 CA ALA A 36 -1.327 -9.587 -2.772 1.00 72.43 C ATOM 490 C ALA A 36 -1.692 -8.116 -2.980 1.00 52.55 C ATOM 491 O ALA A 36 -2.483 -7.796 -3.878 1.00 34.13 O ATOM 492 CB ALA A 36 0.143 -9.817 -3.151 1.00 64.45 C ATOM 0 H ALA A 36 -1.749 -10.788 -4.430 1.00 72.14 H new ATOM 0 HA ALA A 36 -1.467 -9.843 -1.722 1.00 72.43 H new ATOM 0 HB1 ALA A 36 0.780 -9.177 -2.541 1.00 64.45 H new ATOM 0 HB2 ALA A 36 0.405 -10.861 -2.977 1.00 64.45 H new ATOM 0 HB3 ALA A 36 0.289 -9.577 -4.204 1.00 64.45 H new ATOM 498 N VAL A 37 -1.072 -7.221 -2.209 1.00 11.20 N ATOM 499 CA VAL A 37 -1.362 -5.792 -2.163 1.00 62.24 C ATOM 500 C VAL A 37 -0.049 -4.988 -2.057 1.00 55.11 C ATOM 501 O VAL A 37 0.944 -5.470 -1.513 1.00 0.10 O ATOM 502 CB VAL A 37 -2.283 -5.569 -0.943 1.00 2.21 C ATOM 503 CG1 VAL A 37 -2.635 -4.096 -0.725 1.00 61.21 C ATOM 504 CG2 VAL A 37 -3.610 -6.347 -1.029 1.00 51.13 C ATOM 0 H VAL A 37 -0.321 -7.487 -1.572 1.00 11.20 H new ATOM 0 HA VAL A 37 -1.859 -5.447 -3.070 1.00 62.24 H new ATOM 0 HB VAL A 37 -1.693 -5.942 -0.106 1.00 2.21 H new ATOM 0 HG11 VAL A 37 -3.284 -4.002 0.146 1.00 61.21 H new ATOM 0 HG12 VAL A 37 -1.722 -3.524 -0.560 1.00 61.21 H new ATOM 0 HG13 VAL A 37 -3.151 -3.711 -1.605 1.00 61.21 H new ATOM 0 HG21 VAL A 37 -4.208 -6.145 -0.141 1.00 51.13 H new ATOM 0 HG22 VAL A 37 -4.160 -6.032 -1.916 1.00 51.13 H new ATOM 0 HG23 VAL A 37 -3.402 -7.415 -1.091 1.00 51.13 H new ATOM 514 N LEU A 38 -0.062 -3.725 -2.498 1.00 51.23 N ATOM 515 CA LEU A 38 0.975 -2.721 -2.275 1.00 52.21 C ATOM 516 C LEU A 38 0.303 -1.472 -1.726 1.00 2.34 C ATOM 517 O LEU A 38 -0.701 -1.020 -2.286 1.00 43.21 O ATOM 518 CB LEU A 38 1.698 -2.371 -3.588 1.00 3.33 C ATOM 519 CG LEU A 38 2.496 -3.540 -4.171 1.00 54.34 C ATOM 520 CD1 LEU A 38 3.013 -3.226 -5.572 1.00 73.24 C ATOM 521 CD2 LEU A 38 3.670 -3.918 -3.274 1.00 61.32 C ATOM 0 H LEU A 38 -0.839 -3.360 -3.049 1.00 51.23 H new ATOM 0 HA LEU A 38 1.714 -3.112 -1.576 1.00 52.21 H new ATOM 0 HB2 LEU A 38 0.963 -2.040 -4.322 1.00 3.33 H new ATOM 0 HB3 LEU A 38 2.372 -1.533 -3.411 1.00 3.33 H new ATOM 0 HG LEU A 38 1.809 -4.384 -4.231 1.00 54.34 H new ATOM 0 HD11 LEU A 38 3.574 -4.079 -5.952 1.00 73.24 H new ATOM 0 HD12 LEU A 38 2.171 -3.022 -6.233 1.00 73.24 H new ATOM 0 HD13 LEU A 38 3.664 -2.352 -5.532 1.00 73.24 H new ATOM 0 HD21 LEU A 38 4.214 -4.751 -3.719 1.00 61.32 H new ATOM 0 HD22 LEU A 38 4.338 -3.063 -3.169 1.00 61.32 H new ATOM 0 HD23 LEU A 38 3.298 -4.210 -2.292 1.00 61.32 H new ATOM 532 N VAL A 39 0.872 -0.898 -0.662 1.00 15.40 N ATOM 533 CA VAL A 39 0.386 0.355 -0.080 1.00 64.55 C ATOM 534 C VAL A 39 1.464 1.406 -0.287 1.00 62.44 C ATOM 535 O VAL A 39 2.385 1.558 0.526 1.00 12.33 O ATOM 536 CB VAL A 39 -0.001 0.230 1.407 1.00 3.44 C ATOM 537 CG1 VAL A 39 -0.580 1.579 1.886 1.00 51.31 C ATOM 538 CG2 VAL A 39 -1.035 -0.870 1.666 1.00 31.42 C ATOM 0 H VAL A 39 1.682 -1.289 -0.181 1.00 15.40 H new ATOM 0 HA VAL A 39 -0.537 0.641 -0.584 1.00 64.55 H new ATOM 0 HB VAL A 39 0.902 -0.037 1.956 1.00 3.44 H new ATOM 0 HG11 VAL A 39 -0.858 1.503 2.937 1.00 51.31 H new ATOM 0 HG12 VAL A 39 0.170 2.361 1.764 1.00 51.31 H new ATOM 0 HG13 VAL A 39 -1.462 1.827 1.295 1.00 51.31 H new ATOM 0 HG21 VAL A 39 -1.266 -0.909 2.730 1.00 31.42 H new ATOM 0 HG22 VAL A 39 -1.944 -0.654 1.105 1.00 31.42 H new ATOM 0 HG23 VAL A 39 -0.631 -1.831 1.347 1.00 31.42 H new ATOM 548 N LYS A 40 1.351 2.166 -1.366 1.00 4.24 N ATOM 549 CA LYS A 40 2.182 3.337 -1.559 1.00 54.12 C ATOM 550 C LYS A 40 1.486 4.536 -0.928 1.00 33.14 C ATOM 551 O LYS A 40 0.265 4.639 -1.003 1.00 41.44 O ATOM 552 CB LYS A 40 2.447 3.468 -3.064 1.00 21.10 C ATOM 553 CG LYS A 40 3.052 4.801 -3.469 1.00 20.31 C ATOM 554 CD LYS A 40 1.956 5.763 -3.931 1.00 40.05 C ATOM 555 CE LYS A 40 2.635 7.091 -4.180 1.00 51.45 C ATOM 556 NZ LYS A 40 1.653 8.182 -4.296 1.00 71.55 N ATOM 0 H LYS A 40 0.689 1.989 -2.121 1.00 4.24 H new ATOM 0 HA LYS A 40 3.153 3.264 -1.068 1.00 54.12 H new ATOM 0 HB2 LYS A 40 3.117 2.667 -3.376 1.00 21.10 H new ATOM 0 HB3 LYS A 40 1.509 3.327 -3.602 1.00 21.10 H new ATOM 0 HG2 LYS A 40 3.593 5.233 -2.627 1.00 20.31 H new ATOM 0 HG3 LYS A 40 3.775 4.651 -4.270 1.00 20.31 H new ATOM 0 HD2 LYS A 40 1.474 5.397 -4.837 1.00 40.05 H new ATOM 0 HD3 LYS A 40 1.179 5.860 -3.173 1.00 40.05 H new ATOM 0 HE2 LYS A 40 3.326 7.307 -3.365 1.00 51.45 H new ATOM 0 HE3 LYS A 40 3.227 7.033 -5.093 1.00 51.45 H new ATOM 0 HZ1 LYS A 40 2.147 9.097 -4.279 1.00 71.55 H new ATOM 0 HZ2 LYS A 40 1.132 8.086 -5.191 1.00 71.55 H new ATOM 0 HZ3 LYS A 40 0.986 8.134 -3.500 1.00 71.55 H new ATOM 566 N ALA A 41 2.256 5.435 -0.314 1.00 23.51 N ATOM 567 CA ALA A 41 1.811 6.710 0.220 1.00 13.32 C ATOM 568 C ALA A 41 2.721 7.798 -0.349 1.00 63.11 C ATOM 569 O ALA A 41 3.649 7.507 -1.106 1.00 71.33 O ATOM 570 CB ALA A 41 1.845 6.670 1.751 1.00 43.32 C ATOM 0 H ALA A 41 3.254 5.280 -0.172 1.00 23.51 H new ATOM 0 HA ALA A 41 0.782 6.924 -0.069 1.00 13.32 H new ATOM 0 HB1 ALA A 41 1.510 7.629 2.148 1.00 43.32 H new ATOM 0 HB2 ALA A 41 1.186 5.879 2.109 1.00 43.32 H new ATOM 0 HB3 ALA A 41 2.863 6.474 2.087 1.00 43.32 H new ATOM 576 N VAL A 42 2.508 9.052 0.035 1.00 2.01 N ATOM 577 CA VAL A 42 3.370 10.153 -0.317 1.00 55.31 C ATOM 578 C VAL A 42 3.387 11.095 0.892 1.00 71.32 C ATOM 579 O VAL A 42 2.509 11.000 1.756 1.00 33.40 O ATOM 580 CB VAL A 42 2.812 10.823 -1.586 1.00 31.53 C ATOM 581 CG1 VAL A 42 1.759 11.894 -1.325 1.00 60.31 C ATOM 582 CG2 VAL A 42 3.958 11.368 -2.418 1.00 63.23 C ATOM 0 H VAL A 42 1.713 9.327 0.611 1.00 2.01 H new ATOM 0 HA VAL A 42 4.391 9.845 -0.542 1.00 55.31 H new ATOM 0 HB VAL A 42 2.283 10.047 -2.140 1.00 31.53 H new ATOM 0 HG11 VAL A 42 1.422 12.312 -2.274 1.00 60.31 H new ATOM 0 HG12 VAL A 42 0.911 11.451 -0.802 1.00 60.31 H new ATOM 0 HG13 VAL A 42 2.190 12.686 -0.712 1.00 60.31 H new ATOM 0 HG21 VAL A 42 3.562 11.842 -3.316 1.00 63.23 H new ATOM 0 HG22 VAL A 42 4.514 12.102 -1.835 1.00 63.23 H new ATOM 0 HG23 VAL A 42 4.622 10.552 -2.701 1.00 63.23 H new ATOM 592 N ASP A 43 4.332 12.030 0.930 1.00 13.03 N ATOM 593 CA ASP A 43 4.264 13.202 1.794 1.00 53.11 C ATOM 594 C ASP A 43 4.353 14.465 0.930 1.00 12.41 C ATOM 595 O ASP A 43 5.432 15.045 0.773 1.00 53.31 O ATOM 596 CB ASP A 43 5.382 13.159 2.843 1.00 32.43 C ATOM 597 CG ASP A 43 5.227 14.220 3.943 1.00 60.11 C ATOM 598 OD1 ASP A 43 4.763 15.344 3.664 1.00 24.43 O ATOM 599 OD2 ASP A 43 5.608 13.887 5.092 1.00 75.15 O ATOM 0 H ASP A 43 5.174 11.994 0.356 1.00 13.03 H new ATOM 0 HA ASP A 43 3.316 13.211 2.331 1.00 53.11 H new ATOM 0 HB2 ASP A 43 5.402 12.171 3.302 1.00 32.43 H new ATOM 0 HB3 ASP A 43 6.342 13.299 2.346 1.00 32.43 H new ATOM 603 N ARG A 44 3.241 14.890 0.305 1.00 62.35 N ATOM 604 CA ARG A 44 3.278 16.107 -0.517 1.00 32.11 C ATOM 605 C ARG A 44 3.592 17.334 0.344 1.00 41.11 C ATOM 606 O ARG A 44 3.888 18.389 -0.216 1.00 60.41 O ATOM 607 CB ARG A 44 1.962 16.364 -1.291 1.00 34.33 C ATOM 608 CG ARG A 44 1.548 15.390 -2.410 1.00 1.04 C ATOM 609 CD ARG A 44 2.615 15.156 -3.492 1.00 44.12 C ATOM 610 NE ARG A 44 2.131 14.299 -4.596 1.00 35.50 N ATOM 611 CZ ARG A 44 2.873 13.820 -5.610 1.00 31.23 C ATOM 612 NH1 ARG A 44 4.120 14.251 -5.778 1.00 60.24 N ATOM 613 NH2 ARG A 44 2.372 12.914 -6.447 1.00 20.11 N ATOM 0 H ARG A 44 2.334 14.425 0.351 1.00 62.35 H new ATOM 0 HA ARG A 44 4.068 15.943 -1.250 1.00 32.11 H new ATOM 0 HB2 ARG A 44 1.152 16.390 -0.562 1.00 34.33 H new ATOM 0 HB3 ARG A 44 2.028 17.360 -1.730 1.00 34.33 H new ATOM 0 HG2 ARG A 44 1.291 14.431 -1.960 1.00 1.04 H new ATOM 0 HG3 ARG A 44 0.645 15.770 -2.887 1.00 1.04 H new ATOM 0 HD2 ARG A 44 2.933 16.117 -3.896 1.00 44.12 H new ATOM 0 HD3 ARG A 44 3.492 14.695 -3.038 1.00 44.12 H new ATOM 0 HE ARG A 44 1.142 14.048 -4.587 1.00 35.50 H new ATOM 0 HH11 ARG A 44 4.511 14.943 -5.139 1.00 60.24 H new ATOM 0 HH12 ARG A 44 4.685 13.890 -6.546 1.00 60.24 H new ATOM 0 HH21 ARG A 44 1.417 12.577 -6.322 1.00 20.11 H new ATOM 0 HH22 ARG A 44 2.943 12.557 -7.213 1.00 20.11 H new ATOM 624 N ARG A 45 3.447 17.279 1.675 1.00 33.50 N ATOM 625 CA ARG A 45 3.591 18.464 2.517 1.00 32.30 C ATOM 626 C ARG A 45 5.057 18.838 2.646 1.00 62.53 C ATOM 627 O ARG A 45 5.424 20.011 2.552 1.00 35.30 O ATOM 628 CB ARG A 45 2.998 18.189 3.905 1.00 35.52 C ATOM 629 CG ARG A 45 2.244 19.427 4.385 1.00 63.42 C ATOM 630 CD ARG A 45 1.758 19.257 5.817 1.00 73.52 C ATOM 631 NE ARG A 45 2.861 19.243 6.793 1.00 21.23 N ATOM 632 CZ ARG A 45 3.142 20.192 7.690 1.00 60.14 C ATOM 633 NH1 ARG A 45 2.630 21.409 7.568 1.00 22.52 N ATOM 634 NH2 ARG A 45 3.929 19.885 8.712 1.00 42.42 N ATOM 0 H ARG A 45 3.230 16.424 2.187 1.00 33.50 H new ATOM 0 HA ARG A 45 3.055 19.294 2.056 1.00 32.30 H new ATOM 0 HB2 ARG A 45 2.325 17.333 3.863 1.00 35.52 H new ATOM 0 HB3 ARG A 45 3.791 17.936 4.609 1.00 35.52 H new ATOM 0 HG2 ARG A 45 2.894 20.299 4.320 1.00 63.42 H new ATOM 0 HG3 ARG A 45 1.393 19.614 3.730 1.00 63.42 H new ATOM 0 HD2 ARG A 45 1.072 20.067 6.062 1.00 73.52 H new ATOM 0 HD3 ARG A 45 1.195 18.327 5.897 1.00 73.52 H new ATOM 0 HE ARG A 45 3.472 18.426 6.783 1.00 21.23 H new ATOM 0 HH11 ARG A 45 2.015 21.627 6.784 1.00 22.52 H new ATOM 0 HH12 ARG A 45 2.851 22.127 8.258 1.00 22.52 H new ATOM 0 HH21 ARG A 45 4.305 18.941 8.800 1.00 42.42 H new ATOM 0 HH22 ARG A 45 4.158 20.593 9.410 1.00 42.42 H new ATOM 645 N GLU A 46 5.890 17.846 2.924 1.00 32.23 N ATOM 646 CA GLU A 46 7.328 18.020 3.072 1.00 63.15 C ATOM 647 C GLU A 46 8.000 17.875 1.702 1.00 62.24 C ATOM 648 O GLU A 46 9.094 18.393 1.480 1.00 63.35 O ATOM 649 CB GLU A 46 7.848 17.030 4.132 1.00 4.04 C ATOM 650 CG GLU A 46 7.030 17.182 5.436 1.00 22.13 C ATOM 651 CD GLU A 46 7.782 17.161 6.765 1.00 20.30 C ATOM 652 OE1 GLU A 46 8.662 18.036 6.971 1.00 13.10 O ATOM 653 OE2 GLU A 46 7.361 16.401 7.670 1.00 51.43 O ATOM 0 H GLU A 46 5.581 16.883 3.055 1.00 32.23 H new ATOM 0 HA GLU A 46 7.575 19.019 3.431 1.00 63.15 H new ATOM 0 HB2 GLU A 46 7.769 16.009 3.759 1.00 4.04 H new ATOM 0 HB3 GLU A 46 8.904 17.216 4.330 1.00 4.04 H new ATOM 0 HG2 GLU A 46 6.482 18.123 5.378 1.00 22.13 H new ATOM 0 HG3 GLU A 46 6.289 16.383 5.460 1.00 22.13 H new ATOM 658 N GLY A 47 7.331 17.226 0.748 1.00 1.13 N ATOM 659 CA GLY A 47 7.918 16.839 -0.520 1.00 35.24 C ATOM 660 C GLY A 47 8.822 15.639 -0.286 1.00 3.34 C ATOM 661 O GLY A 47 9.975 15.636 -0.716 1.00 34.52 O ATOM 0 H GLY A 47 6.353 16.954 0.843 1.00 1.13 H new ATOM 0 HA2 GLY A 47 7.137 16.591 -1.239 1.00 35.24 H new ATOM 0 HA3 GLY A 47 8.488 17.667 -0.942 1.00 35.24 H new ATOM 665 N THR A 48 8.320 14.634 0.433 1.00 12.24 N ATOM 666 CA THR A 48 8.914 13.306 0.472 1.00 0.31 C ATOM 667 C THR A 48 7.893 12.268 -0.005 1.00 2.42 C ATOM 668 O THR A 48 6.771 12.615 -0.390 1.00 35.30 O ATOM 669 CB THR A 48 9.534 13.024 1.853 1.00 42.34 C ATOM 670 OG1 THR A 48 8.660 13.150 2.950 1.00 63.21 O ATOM 671 CG2 THR A 48 10.693 13.982 2.129 1.00 1.31 C ATOM 0 H THR A 48 7.482 14.724 1.008 1.00 12.24 H new ATOM 0 HA THR A 48 9.751 13.241 -0.224 1.00 0.31 H new ATOM 0 HB THR A 48 9.842 11.981 1.780 1.00 42.34 H new ATOM 0 HG1 THR A 48 9.144 12.950 3.778 1.00 63.21 H new ATOM 0 HG21 THR A 48 11.118 13.766 3.110 1.00 1.31 H new ATOM 0 HG22 THR A 48 11.460 13.854 1.365 1.00 1.31 H new ATOM 0 HG23 THR A 48 10.329 15.009 2.109 1.00 1.31 H new ATOM 679 N ALA A 49 8.265 10.990 -0.018 1.00 41.35 N ATOM 680 CA ALA A 49 7.359 9.878 -0.237 1.00 54.13 C ATOM 681 C ALA A 49 7.875 8.662 0.536 1.00 3.02 C ATOM 682 O ALA A 49 9.012 8.649 1.021 1.00 1.12 O ATOM 683 CB ALA A 49 7.241 9.607 -1.744 1.00 3.23 C ATOM 0 H ALA A 49 9.231 10.697 0.128 1.00 41.35 H new ATOM 0 HA ALA A 49 6.359 10.109 0.131 1.00 54.13 H new ATOM 0 HB1 ALA A 49 6.561 8.772 -1.911 1.00 3.23 H new ATOM 0 HB2 ALA A 49 6.855 10.495 -2.244 1.00 3.23 H new ATOM 0 HB3 ALA A 49 8.223 9.361 -2.148 1.00 3.23 H new ATOM 689 N ARG A 50 7.045 7.623 0.641 1.00 53.25 N ATOM 690 CA ARG A 50 7.366 6.340 1.261 1.00 74.12 C ATOM 691 C ARG A 50 6.594 5.236 0.537 1.00 52.13 C ATOM 692 O ARG A 50 5.679 5.539 -0.240 1.00 32.20 O ATOM 693 CB ARG A 50 6.989 6.424 2.752 1.00 40.12 C ATOM 694 CG ARG A 50 8.170 6.109 3.679 1.00 53.32 C ATOM 695 CD ARG A 50 7.912 6.719 5.064 1.00 22.52 C ATOM 696 NE ARG A 50 8.437 8.092 5.191 1.00 33.20 N ATOM 697 CZ ARG A 50 8.345 8.884 6.269 1.00 21.12 C ATOM 698 NH1 ARG A 50 7.744 8.469 7.379 1.00 74.12 N ATOM 699 NH2 ARG A 50 8.882 10.095 6.256 1.00 24.51 N ATOM 0 H ARG A 50 6.091 7.656 0.281 1.00 53.25 H new ATOM 0 HA ARG A 50 8.428 6.109 1.184 1.00 74.12 H new ATOM 0 HB2 ARG A 50 6.616 7.424 2.973 1.00 40.12 H new ATOM 0 HB3 ARG A 50 6.176 5.728 2.957 1.00 40.12 H new ATOM 0 HG2 ARG A 50 8.301 5.030 3.764 1.00 53.32 H new ATOM 0 HG3 ARG A 50 9.092 6.510 3.259 1.00 53.32 H new ATOM 0 HD2 ARG A 50 6.840 6.726 5.259 1.00 22.52 H new ATOM 0 HD3 ARG A 50 8.371 6.088 5.825 1.00 22.52 H new ATOM 0 HE ARG A 50 8.918 8.477 4.378 1.00 33.20 H new ATOM 0 HH11 ARG A 50 7.342 7.532 7.422 1.00 74.12 H new ATOM 0 HH12 ARG A 50 7.685 9.087 8.188 1.00 74.12 H new ATOM 0 HH21 ARG A 50 9.368 10.428 5.424 1.00 24.51 H new ATOM 0 HH22 ARG A 50 8.809 10.694 7.078 1.00 24.51 H new ATOM 710 N LEU A 51 6.932 3.968 0.772 1.00 20.32 N ATOM 711 CA LEU A 51 6.195 2.847 0.197 1.00 11.10 C ATOM 712 C LEU A 51 6.200 1.673 1.169 1.00 33.34 C ATOM 713 O LEU A 51 7.212 1.447 1.840 1.00 12.40 O ATOM 714 CB LEU A 51 6.823 2.469 -1.160 1.00 41.04 C ATOM 715 CG LEU A 51 5.755 2.061 -2.188 1.00 42.34 C ATOM 716 CD1 LEU A 51 6.135 2.530 -3.579 1.00 73.43 C ATOM 717 CD2 LEU A 51 5.508 0.557 -2.265 1.00 55.14 C ATOM 0 H LEU A 51 7.718 3.692 1.361 1.00 20.32 H new ATOM 0 HA LEU A 51 5.156 3.128 0.025 1.00 11.10 H new ATOM 0 HB2 LEU A 51 7.394 3.314 -1.545 1.00 41.04 H new ATOM 0 HB3 LEU A 51 7.525 1.647 -1.020 1.00 41.04 H new ATOM 0 HG LEU A 51 4.841 2.541 -1.839 1.00 42.34 H new ATOM 0 HD11 LEU A 51 5.364 2.229 -4.288 1.00 73.43 H new ATOM 0 HD12 LEU A 51 6.229 3.616 -3.584 1.00 73.43 H new ATOM 0 HD13 LEU A 51 7.086 2.083 -3.867 1.00 73.43 H new ATOM 0 HD21 LEU A 51 4.742 0.352 -3.013 1.00 55.14 H new ATOM 0 HD22 LEU A 51 6.432 0.050 -2.544 1.00 55.14 H new ATOM 0 HD23 LEU A 51 5.174 0.193 -1.293 1.00 55.14 H new ATOM 728 N PHE A 52 5.115 0.895 1.204 1.00 60.51 N ATOM 729 CA PHE A 52 5.034 -0.334 1.988 1.00 74.34 C ATOM 730 C PHE A 52 4.547 -1.491 1.125 1.00 53.25 C ATOM 731 O PHE A 52 3.729 -1.321 0.217 1.00 42.22 O ATOM 732 CB PHE A 52 4.105 -0.171 3.197 1.00 60.51 C ATOM 733 CG PHE A 52 4.509 0.914 4.174 1.00 75.14 C ATOM 734 CD1 PHE A 52 5.644 0.755 4.991 1.00 2.11 C ATOM 735 CD2 PHE A 52 3.749 2.092 4.262 1.00 11.02 C ATOM 736 CE1 PHE A 52 6.016 1.781 5.878 1.00 4.10 C ATOM 737 CE2 PHE A 52 4.152 3.140 5.105 1.00 20.33 C ATOM 738 CZ PHE A 52 5.284 2.981 5.923 1.00 1.21 C ATOM 0 H PHE A 52 4.263 1.104 0.684 1.00 60.51 H new ATOM 0 HA PHE A 52 6.038 -0.552 2.352 1.00 74.34 H new ATOM 0 HB2 PHE A 52 3.099 0.042 2.837 1.00 60.51 H new ATOM 0 HB3 PHE A 52 4.058 -1.120 3.731 1.00 60.51 H new ATOM 0 HD1 PHE A 52 6.227 -0.152 4.937 1.00 2.11 H new ATOM 0 HD2 PHE A 52 2.847 2.192 3.676 1.00 11.02 H new ATOM 0 HE1 PHE A 52 6.868 1.647 6.528 1.00 4.10 H new ATOM 0 HE2 PHE A 52 3.594 4.065 5.125 1.00 20.33 H new ATOM 0 HZ PHE A 52 5.591 3.778 6.584 1.00 1.21 H new ATOM 747 N SER A 53 5.016 -2.689 1.460 1.00 12.20 N ATOM 748 CA SER A 53 4.754 -3.922 0.741 1.00 30.31 C ATOM 749 C SER A 53 4.475 -5.012 1.778 1.00 71.05 C ATOM 750 O SER A 53 4.889 -4.883 2.935 1.00 54.12 O ATOM 751 CB SER A 53 6.015 -4.225 -0.075 1.00 23.12 C ATOM 752 OG SER A 53 5.778 -4.806 -1.340 1.00 50.21 O ATOM 0 H SER A 53 5.614 -2.828 2.275 1.00 12.20 H new ATOM 0 HA SER A 53 3.896 -3.859 0.072 1.00 30.31 H new ATOM 0 HB2 SER A 53 6.571 -3.298 -0.215 1.00 23.12 H new ATOM 0 HB3 SER A 53 6.652 -4.895 0.503 1.00 23.12 H new ATOM 0 HG SER A 53 6.619 -4.852 -1.841 1.00 50.21 H new ATOM 757 N GLU A 54 3.776 -6.071 1.379 1.00 45.22 N ATOM 758 CA GLU A 54 3.508 -7.202 2.255 1.00 71.01 C ATOM 759 C GLU A 54 4.776 -8.047 2.442 1.00 33.11 C ATOM 760 O GLU A 54 5.766 -7.896 1.721 1.00 30.22 O ATOM 761 CB GLU A 54 2.372 -8.063 1.679 1.00 24.10 C ATOM 762 CG GLU A 54 1.067 -7.294 1.466 1.00 12.54 C ATOM 763 CD GLU A 54 -0.091 -8.209 1.094 1.00 1.13 C ATOM 764 OE1 GLU A 54 -0.045 -8.789 -0.019 1.00 3.44 O ATOM 765 OE2 GLU A 54 -1.000 -8.385 1.935 1.00 63.43 O ATOM 0 H GLU A 54 3.382 -6.167 0.443 1.00 45.22 H new ATOM 0 HA GLU A 54 3.199 -6.822 3.229 1.00 71.01 H new ATOM 0 HB2 GLU A 54 2.694 -8.485 0.727 1.00 24.10 H new ATOM 0 HB3 GLU A 54 2.185 -8.900 2.352 1.00 24.10 H new ATOM 0 HG2 GLU A 54 0.817 -6.748 2.376 1.00 12.54 H new ATOM 0 HG3 GLU A 54 1.209 -6.554 0.679 1.00 12.54 H new ATOM 770 N ALA A 55 4.719 -8.944 3.422 1.00 64.35 N ATOM 771 CA ALA A 55 5.646 -10.040 3.714 1.00 5.44 C ATOM 772 C ALA A 55 4.877 -11.115 4.510 1.00 3.50 C ATOM 773 O ALA A 55 3.653 -11.212 4.395 1.00 23.13 O ATOM 774 CB ALA A 55 6.929 -9.498 4.382 1.00 41.32 C ATOM 0 H ALA A 55 3.953 -8.923 4.095 1.00 64.35 H new ATOM 0 HA ALA A 55 6.009 -10.526 2.809 1.00 5.44 H new ATOM 0 HB1 ALA A 55 7.607 -10.325 4.592 1.00 41.32 H new ATOM 0 HB2 ALA A 55 7.417 -8.790 3.712 1.00 41.32 H new ATOM 0 HB3 ALA A 55 6.670 -8.996 5.314 1.00 41.32 H new ATOM 780 N THR A 56 5.584 -11.911 5.307 1.00 24.42 N ATOM 781 CA THR A 56 5.093 -12.702 6.437 1.00 50.22 C ATOM 782 C THR A 56 6.280 -13.034 7.337 1.00 65.21 C ATOM 783 O THR A 56 7.441 -12.864 6.939 1.00 25.03 O ATOM 784 CB THR A 56 4.374 -14.003 6.008 1.00 23.32 C ATOM 785 OG1 THR A 56 4.747 -14.446 4.713 1.00 61.01 O ATOM 786 CG2 THR A 56 2.853 -13.849 6.106 1.00 25.31 C ATOM 0 H THR A 56 6.588 -12.030 5.172 1.00 24.42 H new ATOM 0 HA THR A 56 4.348 -12.107 6.965 1.00 50.22 H new ATOM 0 HB THR A 56 4.699 -14.773 6.708 1.00 23.32 H new ATOM 0 HG1 THR A 56 4.263 -15.271 4.497 1.00 61.01 H new ATOM 0 HG21 THR A 56 2.373 -14.778 5.799 1.00 25.31 H new ATOM 0 HG22 THR A 56 2.576 -13.620 7.135 1.00 25.31 H new ATOM 0 HG23 THR A 56 2.527 -13.039 5.454 1.00 25.31 H new ATOM 794 N ARG A 57 6.009 -13.533 8.548 1.00 1.44 N ATOM 795 CA ARG A 57 6.993 -14.284 9.322 1.00 1.21 C ATOM 796 C ARG A 57 6.695 -15.776 9.222 1.00 61.32 C ATOM 797 O ARG A 57 5.664 -16.142 8.662 1.00 70.35 O ATOM 798 CB ARG A 57 7.092 -13.728 10.749 1.00 31.03 C ATOM 799 CG ARG A 57 5.938 -14.055 11.693 1.00 61.02 C ATOM 800 CD ARG A 57 6.212 -13.410 13.066 1.00 71.42 C ATOM 801 NE ARG A 57 5.535 -14.093 14.180 1.00 34.33 N ATOM 802 CZ ARG A 57 4.774 -13.528 15.127 1.00 12.13 C ATOM 803 NH1 ARG A 57 4.610 -12.210 15.206 1.00 11.10 N ATOM 804 NH2 ARG A 57 4.162 -14.295 16.019 1.00 70.35 N ATOM 0 H ARG A 57 5.107 -13.427 9.013 1.00 1.44 H new ATOM 0 HA ARG A 57 7.993 -14.158 8.907 1.00 1.21 H new ATOM 0 HB2 ARG A 57 8.014 -14.100 11.196 1.00 31.03 H new ATOM 0 HB3 ARG A 57 7.184 -12.644 10.686 1.00 31.03 H new ATOM 0 HG2 ARG A 57 4.999 -13.682 11.283 1.00 61.02 H new ATOM 0 HG3 ARG A 57 5.833 -15.135 11.799 1.00 61.02 H new ATOM 0 HD2 ARG A 57 7.286 -13.408 13.250 1.00 71.42 H new ATOM 0 HD3 ARG A 57 5.892 -12.369 13.040 1.00 71.42 H new ATOM 0 HE ARG A 57 5.658 -15.104 14.237 1.00 34.33 H new ATOM 0 HH11 ARG A 57 5.071 -11.598 14.533 1.00 11.10 H new ATOM 0 HH12 ARG A 57 4.024 -11.812 15.940 1.00 11.10 H new ATOM 0 HH21 ARG A 57 4.272 -15.308 15.981 1.00 70.35 H new ATOM 0 HH22 ARG A 57 3.581 -13.872 16.743 1.00 70.35 H new ATOM 815 N GLY A 58 7.548 -16.634 9.781 1.00 25.13 N ATOM 816 CA GLY A 58 7.368 -18.084 9.742 1.00 42.42 C ATOM 817 C GLY A 58 6.131 -18.543 10.507 1.00 33.03 C ATOM 818 O GLY A 58 5.576 -19.600 10.221 1.00 71.03 O ATOM 0 H GLY A 58 8.389 -16.340 10.277 1.00 25.13 H new ATOM 0 HA2 GLY A 58 7.290 -18.409 8.704 1.00 42.42 H new ATOM 0 HA3 GLY A 58 8.250 -18.567 10.162 1.00 42.42 H new ATOM 822 N ASP A 59 5.654 -17.754 11.470 1.00 70.02 N ATOM 823 CA ASP A 59 4.346 -17.944 12.109 1.00 24.12 C ATOM 824 C ASP A 59 3.176 -17.721 11.138 1.00 50.53 C ATOM 825 O ASP A 59 2.015 -17.890 11.506 1.00 34.30 O ATOM 826 CB ASP A 59 4.215 -17.028 13.321 1.00 64.02 C ATOM 827 CG ASP A 59 3.174 -17.535 14.319 1.00 54.45 C ATOM 828 OD1 ASP A 59 3.507 -18.482 15.070 1.00 44.52 O ATOM 829 OD2 ASP A 59 2.117 -16.888 14.471 1.00 51.13 O ATOM 0 H ASP A 59 6.170 -16.953 11.835 1.00 70.02 H new ATOM 0 HA ASP A 59 4.294 -18.984 12.432 1.00 24.12 H new ATOM 0 HB2 ASP A 59 5.182 -16.945 13.818 1.00 64.02 H new ATOM 0 HB3 ASP A 59 3.940 -16.027 12.989 1.00 64.02 H new ATOM 833 N GLY A 60 3.468 -17.342 9.892 1.00 71.21 N ATOM 834 CA GLY A 60 2.514 -16.973 8.865 1.00 65.13 C ATOM 835 C GLY A 60 1.823 -15.662 9.204 1.00 72.22 C ATOM 836 O GLY A 60 0.652 -15.496 8.855 1.00 25.20 O ATOM 0 H GLY A 60 4.432 -17.284 9.563 1.00 71.21 H new ATOM 0 HA2 GLY A 60 3.025 -16.881 7.906 1.00 65.13 H new ATOM 0 HA3 GLY A 60 1.770 -17.762 8.755 1.00 65.13 H new ATOM 840 N GLU A 61 2.511 -14.750 9.904 1.00 31.10 N ATOM 841 CA GLU A 61 1.902 -13.537 10.423 1.00 51.14 C ATOM 842 C GLU A 61 2.400 -12.359 9.592 1.00 42.34 C ATOM 843 O GLU A 61 3.615 -12.201 9.436 1.00 21.14 O ATOM 844 CB GLU A 61 2.177 -13.421 11.926 1.00 34.04 C ATOM 845 CG GLU A 61 1.145 -12.506 12.593 1.00 33.03 C ATOM 846 CD GLU A 61 0.700 -13.035 13.953 1.00 62.23 C ATOM 847 OE1 GLU A 61 1.539 -13.103 14.879 1.00 31.43 O ATOM 848 OE2 GLU A 61 -0.513 -13.298 14.129 1.00 72.13 O ATOM 0 H GLU A 61 3.503 -14.840 10.121 1.00 31.10 H new ATOM 0 HA GLU A 61 0.816 -13.553 10.330 1.00 51.14 H new ATOM 0 HB2 GLU A 61 2.145 -14.409 12.385 1.00 34.04 H new ATOM 0 HB3 GLU A 61 3.180 -13.026 12.088 1.00 34.04 H new ATOM 0 HG2 GLU A 61 1.570 -11.509 12.714 1.00 33.03 H new ATOM 0 HG3 GLU A 61 0.276 -12.406 11.942 1.00 33.03 H new ATOM 853 N ARG A 62 1.482 -11.621 8.963 1.00 3.23 N ATOM 854 CA ARG A 62 1.790 -10.583 7.988 1.00 10.34 C ATOM 855 C ARG A 62 1.892 -9.210 8.655 1.00 3.12 C ATOM 856 O ARG A 62 1.364 -8.984 9.745 1.00 11.51 O ATOM 857 CB ARG A 62 0.724 -10.658 6.881 1.00 61.22 C ATOM 858 CG ARG A 62 0.950 -9.647 5.751 1.00 50.12 C ATOM 859 CD ARG A 62 0.211 -10.042 4.479 1.00 32.44 C ATOM 860 NE ARG A 62 0.947 -11.030 3.686 1.00 44.42 N ATOM 861 CZ ARG A 62 0.586 -11.482 2.481 1.00 53.21 C ATOM 862 NH1 ARG A 62 -0.542 -11.111 1.887 1.00 20.03 N ATOM 863 NH2 ARG A 62 1.380 -12.307 1.828 1.00 10.24 N ATOM 0 H ARG A 62 0.481 -11.735 9.125 1.00 3.23 H new ATOM 0 HA ARG A 62 2.769 -10.742 7.537 1.00 10.34 H new ATOM 0 HB2 ARG A 62 0.715 -11.664 6.462 1.00 61.22 H new ATOM 0 HB3 ARG A 62 -0.259 -10.487 7.321 1.00 61.22 H new ATOM 0 HG2 ARG A 62 0.616 -8.661 6.074 1.00 50.12 H new ATOM 0 HG3 ARG A 62 2.017 -9.569 5.542 1.00 50.12 H new ATOM 0 HD2 ARG A 62 -0.766 -10.447 4.741 1.00 32.44 H new ATOM 0 HD3 ARG A 62 0.036 -9.153 3.874 1.00 32.44 H new ATOM 0 HE ARG A 62 1.807 -11.404 4.087 1.00 44.42 H new ATOM 0 HH11 ARG A 62 -1.172 -10.456 2.351 1.00 20.03 H new ATOM 0 HH12 ARG A 62 -0.779 -11.481 0.966 1.00 20.03 H new ATOM 0 HH21 ARG A 62 2.265 -12.598 2.243 1.00 10.24 H new ATOM 0 HH22 ARG A 62 1.109 -12.655 0.908 1.00 10.24 H new ATOM 874 N PHE A 63 2.590 -8.296 7.998 1.00 11.32 N ATOM 875 CA PHE A 63 2.989 -6.968 8.422 1.00 32.00 C ATOM 876 C PHE A 63 3.391 -6.162 7.184 1.00 13.22 C ATOM 877 O PHE A 63 3.803 -6.732 6.168 1.00 30.43 O ATOM 878 CB PHE A 63 4.178 -7.085 9.392 1.00 50.53 C ATOM 879 CG PHE A 63 5.396 -7.882 8.928 1.00 61.04 C ATOM 880 CD1 PHE A 63 5.467 -9.275 9.149 1.00 22.13 C ATOM 881 CD2 PHE A 63 6.470 -7.250 8.266 1.00 65.04 C ATOM 882 CE1 PHE A 63 6.638 -9.985 8.847 1.00 65.03 C ATOM 883 CE2 PHE A 63 7.635 -7.971 7.945 1.00 54.53 C ATOM 884 CZ PHE A 63 7.730 -9.333 8.258 1.00 43.14 C ATOM 0 H PHE A 63 2.925 -8.491 7.054 1.00 11.32 H new ATOM 0 HA PHE A 63 2.167 -6.465 8.931 1.00 32.00 H new ATOM 0 HB2 PHE A 63 4.511 -6.077 9.638 1.00 50.53 H new ATOM 0 HB3 PHE A 63 3.814 -7.535 10.316 1.00 50.53 H new ATOM 0 HD1 PHE A 63 4.613 -9.798 9.554 1.00 22.13 H new ATOM 0 HD2 PHE A 63 6.397 -6.205 8.004 1.00 65.04 H new ATOM 0 HE1 PHE A 63 6.699 -11.040 9.070 1.00 65.03 H new ATOM 0 HE2 PHE A 63 8.459 -7.473 7.456 1.00 54.53 H new ATOM 0 HZ PHE A 63 8.639 -9.877 8.047 1.00 43.14 H new ATOM 893 N TRP A 64 3.353 -4.837 7.281 1.00 23.34 N ATOM 894 CA TRP A 64 3.792 -3.952 6.213 1.00 73.15 C ATOM 895 C TRP A 64 5.280 -3.662 6.373 1.00 65.13 C ATOM 896 O TRP A 64 5.674 -3.070 7.372 1.00 52.35 O ATOM 897 CB TRP A 64 2.949 -2.681 6.273 1.00 33.12 C ATOM 898 CG TRP A 64 1.530 -2.929 5.889 1.00 4.30 C ATOM 899 CD1 TRP A 64 0.457 -2.937 6.712 1.00 62.32 C ATOM 900 CD2 TRP A 64 1.039 -3.332 4.580 1.00 74.44 C ATOM 901 NE1 TRP A 64 -0.667 -3.282 5.985 1.00 44.21 N ATOM 902 CE2 TRP A 64 -0.362 -3.558 4.670 1.00 21.23 C ATOM 903 CE3 TRP A 64 1.664 -3.593 3.343 1.00 14.24 C ATOM 904 CZ2 TRP A 64 -1.114 -4.020 3.580 1.00 21.12 C ATOM 905 CZ3 TRP A 64 0.919 -4.019 2.232 1.00 60.01 C ATOM 906 CH2 TRP A 64 -0.460 -4.255 2.358 1.00 40.41 C ATOM 0 H TRP A 64 3.014 -4.346 8.109 1.00 23.34 H new ATOM 0 HA TRP A 64 3.656 -4.414 5.235 1.00 73.15 H new ATOM 0 HB2 TRP A 64 2.984 -2.271 7.282 1.00 33.12 H new ATOM 0 HB3 TRP A 64 3.378 -1.931 5.609 1.00 33.12 H new ATOM 0 HD1 TRP A 64 0.475 -2.710 7.768 1.00 62.32 H new ATOM 0 HE1 TRP A 64 -1.608 -3.327 6.375 1.00 44.21 H new ATOM 0 HE3 TRP A 64 2.732 -3.463 3.249 1.00 14.24 H new ATOM 0 HZ2 TRP A 64 -2.176 -4.192 3.678 1.00 21.12 H new ATOM 0 HZ3 TRP A 64 1.407 -4.165 1.280 1.00 60.01 H new ATOM 0 HH2 TRP A 64 -1.022 -4.619 1.510 1.00 40.41 H new ATOM 916 N MET A 65 6.107 -4.102 5.428 1.00 25.10 N ATOM 917 CA MET A 65 7.554 -3.909 5.446 1.00 34.02 C ATOM 918 C MET A 65 8.018 -2.890 4.401 1.00 23.33 C ATOM 919 O MET A 65 7.214 -2.416 3.590 1.00 31.24 O ATOM 920 CB MET A 65 8.243 -5.253 5.225 1.00 5.40 C ATOM 921 CG MET A 65 8.026 -5.835 3.818 1.00 73.41 C ATOM 922 SD MET A 65 9.550 -6.354 2.987 1.00 13.10 S ATOM 923 CE MET A 65 10.175 -7.522 4.213 1.00 52.13 C ATOM 0 H MET A 65 5.781 -4.615 4.609 1.00 25.10 H new ATOM 0 HA MET A 65 7.829 -3.506 6.421 1.00 34.02 H new ATOM 0 HB2 MET A 65 9.313 -5.136 5.399 1.00 5.40 H new ATOM 0 HB3 MET A 65 7.876 -5.965 5.964 1.00 5.40 H new ATOM 0 HG2 MET A 65 7.355 -6.691 3.890 1.00 73.41 H new ATOM 0 HG3 MET A 65 7.525 -5.089 3.201 1.00 73.41 H new ATOM 0 HE1 MET A 65 10.737 -8.310 3.712 1.00 52.13 H new ATOM 0 HE2 MET A 65 10.827 -7.000 4.913 1.00 52.13 H new ATOM 0 HE3 MET A 65 9.338 -7.963 4.755 1.00 52.13 H new ATOM 931 N GLN A 66 9.325 -2.591 4.395 1.00 45.14 N ATOM 932 CA GLN A 66 9.957 -1.635 3.498 1.00 4.53 C ATOM 933 C GLN A 66 11.002 -2.285 2.577 1.00 32.40 C ATOM 934 O GLN A 66 12.192 -2.286 2.906 1.00 71.15 O ATOM 935 CB GLN A 66 10.572 -0.489 4.308 1.00 13.44 C ATOM 936 CG GLN A 66 9.517 0.220 5.155 1.00 14.30 C ATOM 937 CD GLN A 66 10.071 1.491 5.768 1.00 30.11 C ATOM 938 OE1 GLN A 66 11.228 1.579 6.171 1.00 11.33 O ATOM 939 NE2 GLN A 66 9.251 2.519 5.841 1.00 21.34 N ATOM 0 H GLN A 66 9.986 -3.027 5.038 1.00 45.14 H new ATOM 0 HA GLN A 66 9.181 -1.237 2.844 1.00 4.53 H new ATOM 0 HB2 GLN A 66 11.359 -0.879 4.954 1.00 13.44 H new ATOM 0 HB3 GLN A 66 11.040 0.227 3.632 1.00 13.44 H new ATOM 0 HG2 GLN A 66 8.651 0.458 4.538 1.00 14.30 H new ATOM 0 HG3 GLN A 66 9.172 -0.447 5.945 1.00 14.30 H new ATOM 0 HE21 GLN A 66 8.293 2.432 5.503 1.00 21.34 H new ATOM 0 HE22 GLN A 66 9.574 3.402 6.236 1.00 21.34 H new ATOM 946 N PRO A 67 10.603 -2.848 1.427 1.00 5.10 N ATOM 947 CA PRO A 67 11.528 -3.386 0.432 1.00 33.54 C ATOM 948 C PRO A 67 12.176 -2.320 -0.469 1.00 22.22 C ATOM 949 O PRO A 67 13.075 -2.668 -1.237 1.00 61.32 O ATOM 950 CB PRO A 67 10.692 -4.356 -0.394 1.00 62.22 C ATOM 951 CG PRO A 67 9.321 -3.699 -0.361 1.00 52.32 C ATOM 952 CD PRO A 67 9.230 -3.125 1.044 1.00 21.30 C ATOM 0 HA PRO A 67 12.375 -3.859 0.929 1.00 33.54 H new ATOM 0 HB2 PRO A 67 11.071 -4.458 -1.411 1.00 62.22 H new ATOM 0 HB3 PRO A 67 10.676 -5.355 0.042 1.00 62.22 H new ATOM 0 HG2 PRO A 67 9.232 -2.920 -1.118 1.00 52.32 H new ATOM 0 HG3 PRO A 67 8.526 -4.421 -0.551 1.00 52.32 H new ATOM 0 HD2 PRO A 67 8.625 -2.219 1.061 1.00 21.30 H new ATOM 0 HD3 PRO A 67 8.764 -3.833 1.730 1.00 21.30 H new ATOM 957 N VAL A 68 11.778 -1.042 -0.407 1.00 14.21 N ATOM 958 CA VAL A 68 12.464 0.069 -1.069 1.00 5.20 C ATOM 959 C VAL A 68 12.861 1.074 0.012 1.00 70.55 C ATOM 960 O VAL A 68 12.080 1.935 0.441 1.00 10.33 O ATOM 961 CB VAL A 68 11.671 0.620 -2.273 1.00 23.10 C ATOM 962 CG1 VAL A 68 10.175 0.859 -2.012 1.00 30.32 C ATOM 963 CG2 VAL A 68 12.328 1.891 -2.839 1.00 1.13 C ATOM 0 H VAL A 68 10.953 -0.749 0.116 1.00 14.21 H new ATOM 0 HA VAL A 68 13.385 -0.257 -1.552 1.00 5.20 H new ATOM 0 HB VAL A 68 11.712 -0.177 -3.016 1.00 23.10 H new ATOM 0 HG11 VAL A 68 9.705 1.246 -2.916 1.00 30.32 H new ATOM 0 HG12 VAL A 68 9.700 -0.081 -1.730 1.00 30.32 H new ATOM 0 HG13 VAL A 68 10.057 1.582 -1.204 1.00 30.32 H new ATOM 0 HG21 VAL A 68 11.746 2.255 -3.686 1.00 1.13 H new ATOM 0 HG22 VAL A 68 12.362 2.658 -2.066 1.00 1.13 H new ATOM 0 HG23 VAL A 68 13.342 1.661 -3.167 1.00 1.13 H new ATOM 973 N ARG A 69 14.086 0.910 0.514 1.00 54.12 N ATOM 974 CA ARG A 69 14.622 1.714 1.603 1.00 21.20 C ATOM 975 C ARG A 69 15.505 2.795 0.998 1.00 25.21 C ATOM 976 O ARG A 69 16.733 2.703 1.004 1.00 51.04 O ATOM 977 CB ARG A 69 15.325 0.800 2.619 1.00 51.22 C ATOM 978 CG ARG A 69 15.314 1.379 4.042 1.00 25.12 C ATOM 979 CD ARG A 69 16.295 2.535 4.289 1.00 11.03 C ATOM 980 NE ARG A 69 17.583 2.054 4.800 1.00 12.40 N ATOM 981 CZ ARG A 69 18.701 1.774 4.127 1.00 31.22 C ATOM 982 NH1 ARG A 69 18.769 1.885 2.802 1.00 34.23 N ATOM 983 NH2 ARG A 69 19.768 1.377 4.804 1.00 42.21 N ATOM 0 H ARG A 69 14.738 0.206 0.169 1.00 54.12 H new ATOM 0 HA ARG A 69 13.841 2.223 2.168 1.00 21.20 H new ATOM 0 HB2 ARG A 69 14.837 -0.175 2.624 1.00 51.22 H new ATOM 0 HB3 ARG A 69 16.356 0.639 2.304 1.00 51.22 H new ATOM 0 HG2 ARG A 69 14.306 1.726 4.267 1.00 25.12 H new ATOM 0 HG3 ARG A 69 15.540 0.577 4.745 1.00 25.12 H new ATOM 0 HD2 ARG A 69 16.454 3.082 3.360 1.00 11.03 H new ATOM 0 HD3 ARG A 69 15.860 3.236 5.001 1.00 11.03 H new ATOM 0 HE ARG A 69 17.631 1.914 5.809 1.00 12.40 H new ATOM 0 HH11 ARG A 69 17.952 2.191 2.273 1.00 34.23 H new ATOM 0 HH12 ARG A 69 19.638 1.664 2.316 1.00 34.23 H new ATOM 0 HH21 ARG A 69 19.725 1.291 5.819 1.00 42.21 H new ATOM 0 HH22 ARG A 69 20.633 1.158 4.310 1.00 42.21 H new ATOM 994 N SER A 70 14.861 3.832 0.495 1.00 24.12 N ATOM 995 CA SER A 70 15.444 5.047 -0.019 1.00 73.54 C ATOM 996 C SER A 70 14.440 6.164 0.289 1.00 74.32 C ATOM 997 O SER A 70 13.341 5.929 0.800 1.00 2.13 O ATOM 998 CB SER A 70 15.687 4.881 -1.530 1.00 31.52 C ATOM 999 OG SER A 70 16.549 5.903 -2.005 1.00 52.41 O ATOM 0 H SER A 70 13.843 3.843 0.433 1.00 24.12 H new ATOM 0 HA SER A 70 16.407 5.284 0.434 1.00 73.54 H new ATOM 0 HB2 SER A 70 16.126 3.904 -1.729 1.00 31.52 H new ATOM 0 HB3 SER A 70 14.738 4.919 -2.064 1.00 31.52 H new ATOM 0 HG SER A 70 16.825 5.698 -2.923 1.00 52.41 H new ATOM 1004 N THR A 71 14.801 7.384 -0.083 1.00 70.42 N ATOM 1005 CA THR A 71 13.910 8.532 -0.181 1.00 50.33 C ATOM 1006 C THR A 71 13.773 8.949 -1.657 1.00 64.51 C ATOM 1007 O THR A 71 12.964 9.821 -1.951 1.00 54.05 O ATOM 1008 CB THR A 71 14.392 9.636 0.779 1.00 2.23 C ATOM 1009 OG1 THR A 71 13.438 10.630 1.140 1.00 41.24 O ATOM 1010 CG2 THR A 71 15.591 10.282 0.128 1.00 23.40 C ATOM 0 H THR A 71 15.763 7.611 -0.335 1.00 70.42 H new ATOM 0 HA THR A 71 12.898 8.291 0.144 1.00 50.33 H new ATOM 0 HB THR A 71 14.616 9.151 1.729 1.00 2.23 H new ATOM 0 HG1 THR A 71 13.852 11.275 1.751 1.00 41.24 H new ATOM 0 HG21 THR A 71 15.972 11.075 0.772 1.00 23.40 H new ATOM 0 HG22 THR A 71 16.369 9.534 -0.025 1.00 23.40 H new ATOM 0 HG23 THR A 71 15.299 10.704 -0.834 1.00 23.40 H new ATOM 1018 N PHE A 72 14.572 8.391 -2.578 1.00 65.21 N ATOM 1019 CA PHE A 72 14.576 8.827 -3.966 1.00 24.14 C ATOM 1020 C PHE A 72 13.220 8.519 -4.591 1.00 71.35 C ATOM 1021 O PHE A 72 12.796 7.369 -4.633 1.00 3.00 O ATOM 1022 CB PHE A 72 15.734 8.189 -4.748 1.00 45.25 C ATOM 1023 CG PHE A 72 16.999 9.020 -4.702 1.00 54.45 C ATOM 1024 CD1 PHE A 72 17.223 10.003 -5.686 1.00 2.22 C ATOM 1025 CD2 PHE A 72 17.946 8.831 -3.677 1.00 42.04 C ATOM 1026 CE1 PHE A 72 18.390 10.784 -5.653 1.00 61.22 C ATOM 1027 CE2 PHE A 72 19.118 9.608 -3.653 1.00 42.03 C ATOM 1028 CZ PHE A 72 19.339 10.585 -4.636 1.00 23.32 C ATOM 0 H PHE A 72 15.224 7.633 -2.377 1.00 65.21 H new ATOM 0 HA PHE A 72 14.738 9.904 -4.007 1.00 24.14 H new ATOM 0 HB2 PHE A 72 15.940 7.199 -4.341 1.00 45.25 H new ATOM 0 HB3 PHE A 72 15.433 8.051 -5.786 1.00 45.25 H new ATOM 0 HD1 PHE A 72 16.495 10.157 -6.469 1.00 2.22 H new ATOM 0 HD2 PHE A 72 17.772 8.090 -2.910 1.00 42.04 H new ATOM 0 HE1 PHE A 72 18.558 11.537 -6.409 1.00 61.22 H new ATOM 0 HE2 PHE A 72 19.851 9.452 -2.875 1.00 42.03 H new ATOM 0 HZ PHE A 72 20.238 11.183 -4.611 1.00 23.32 H new ATOM 1037 N GLU A 73 12.550 9.555 -5.083 1.00 23.51 N ATOM 1038 CA GLU A 73 11.298 9.479 -5.822 1.00 21.32 C ATOM 1039 C GLU A 73 11.322 8.397 -6.927 1.00 73.53 C ATOM 1040 O GLU A 73 10.473 7.503 -6.862 1.00 34.40 O ATOM 1041 CB GLU A 73 10.954 10.912 -6.276 1.00 24.31 C ATOM 1042 CG GLU A 73 9.825 11.051 -7.303 1.00 11.32 C ATOM 1043 CD GLU A 73 10.373 11.447 -8.673 1.00 12.01 C ATOM 1044 OE1 GLU A 73 10.724 10.545 -9.468 1.00 53.04 O ATOM 1045 OE2 GLU A 73 10.546 12.659 -8.941 1.00 34.21 O ATOM 0 H GLU A 73 12.881 10.513 -4.972 1.00 23.51 H new ATOM 0 HA GLU A 73 10.480 9.126 -5.194 1.00 21.32 H new ATOM 0 HB2 GLU A 73 10.687 11.494 -5.394 1.00 24.31 H new ATOM 0 HB3 GLU A 73 11.854 11.362 -6.695 1.00 24.31 H new ATOM 0 HG2 GLU A 73 9.284 10.108 -7.383 1.00 11.32 H new ATOM 0 HG3 GLU A 73 9.110 11.801 -6.963 1.00 11.32 H new ATOM 1050 N PRO A 74 12.303 8.360 -7.856 1.00 71.53 N ATOM 1051 CA PRO A 74 12.329 7.357 -8.925 1.00 14.23 C ATOM 1052 C PRO A 74 12.759 5.959 -8.445 1.00 73.13 C ATOM 1053 O PRO A 74 12.786 5.013 -9.241 1.00 73.53 O ATOM 1054 CB PRO A 74 13.287 7.919 -9.983 1.00 2.20 C ATOM 1055 CG PRO A 74 14.284 8.720 -9.152 1.00 51.11 C ATOM 1056 CD PRO A 74 13.407 9.302 -8.044 1.00 32.11 C ATOM 0 HA PRO A 74 11.327 7.196 -9.322 1.00 14.23 H new ATOM 0 HB2 PRO A 74 13.777 7.125 -10.546 1.00 2.20 H new ATOM 0 HB3 PRO A 74 12.767 8.548 -10.705 1.00 2.20 H new ATOM 0 HG2 PRO A 74 15.077 8.088 -8.751 1.00 51.11 H new ATOM 0 HG3 PRO A 74 14.766 9.501 -9.740 1.00 51.11 H new ATOM 0 HD2 PRO A 74 13.975 9.424 -7.122 1.00 32.11 H new ATOM 0 HD3 PRO A 74 13.034 10.288 -8.321 1.00 32.11 H new ATOM 1061 N ASP A 75 13.103 5.801 -7.162 1.00 32.54 N ATOM 1062 CA ASP A 75 13.245 4.496 -6.523 1.00 3.22 C ATOM 1063 C ASP A 75 11.895 4.075 -5.962 1.00 25.10 C ATOM 1064 O ASP A 75 11.435 2.965 -6.219 1.00 32.11 O ATOM 1065 CB ASP A 75 14.298 4.526 -5.402 1.00 21.21 C ATOM 1066 CG ASP A 75 15.546 3.744 -5.786 1.00 13.40 C ATOM 1067 OD1 ASP A 75 15.590 2.521 -5.530 1.00 2.01 O ATOM 1068 OD2 ASP A 75 16.518 4.340 -6.304 1.00 71.54 O ATOM 0 H ASP A 75 13.291 6.584 -6.536 1.00 32.54 H new ATOM 0 HA ASP A 75 13.584 3.777 -7.268 1.00 3.22 H new ATOM 0 HB2 ASP A 75 14.568 5.559 -5.183 1.00 21.21 H new ATOM 0 HB3 ASP A 75 13.872 4.108 -4.490 1.00 21.21 H new ATOM 1072 N LEU A 76 11.282 4.964 -5.177 1.00 42.35 N ATOM 1073 CA LEU A 76 10.060 4.726 -4.430 1.00 13.41 C ATOM 1074 C LEU A 76 8.924 4.398 -5.382 1.00 63.51 C ATOM 1075 O LEU A 76 8.435 3.277 -5.361 1.00 34.30 O ATOM 1076 CB LEU A 76 9.714 5.954 -3.568 1.00 52.22 C ATOM 1077 CG LEU A 76 10.651 6.142 -2.364 1.00 51.11 C ATOM 1078 CD1 LEU A 76 10.427 7.527 -1.757 1.00 4.32 C ATOM 1079 CD2 LEU A 76 10.388 5.098 -1.271 1.00 24.42 C ATOM 0 H LEU A 76 11.645 5.908 -5.044 1.00 42.35 H new ATOM 0 HA LEU A 76 10.210 3.875 -3.766 1.00 13.41 H new ATOM 0 HB2 LEU A 76 9.752 6.848 -4.191 1.00 52.22 H new ATOM 0 HB3 LEU A 76 8.689 5.859 -3.209 1.00 52.22 H new ATOM 0 HG LEU A 76 11.674 6.028 -2.724 1.00 51.11 H new ATOM 0 HD11 LEU A 76 11.091 7.662 -0.903 1.00 4.32 H new ATOM 0 HD12 LEU A 76 10.639 8.291 -2.505 1.00 4.32 H new ATOM 0 HD13 LEU A 76 9.391 7.617 -1.429 1.00 4.32 H new ATOM 0 HD21 LEU A 76 11.070 5.264 -0.437 1.00 24.42 H new ATOM 0 HD22 LEU A 76 9.359 5.188 -0.922 1.00 24.42 H new ATOM 0 HD23 LEU A 76 10.547 4.099 -1.676 1.00 24.42 H new ATOM 1090 N ASP A 77 8.490 5.362 -6.186 1.00 0.31 N ATOM 1091 CA ASP A 77 7.302 5.235 -7.026 1.00 61.42 C ATOM 1092 C ASP A 77 7.461 4.099 -8.028 1.00 13.12 C ATOM 1093 O ASP A 77 6.543 3.307 -8.239 1.00 2.40 O ATOM 1094 CB ASP A 77 7.096 6.560 -7.751 1.00 15.04 C ATOM 1095 CG ASP A 77 5.748 6.566 -8.450 1.00 52.34 C ATOM 1096 OD1 ASP A 77 4.754 6.915 -7.767 1.00 22.32 O ATOM 1097 OD2 ASP A 77 5.693 6.233 -9.652 1.00 51.43 O ATOM 0 H ASP A 77 8.957 6.264 -6.275 1.00 0.31 H new ATOM 0 HA ASP A 77 6.435 5.002 -6.408 1.00 61.42 H new ATOM 0 HB2 ASP A 77 7.150 7.385 -7.041 1.00 15.04 H new ATOM 0 HB3 ASP A 77 7.893 6.713 -8.479 1.00 15.04 H new ATOM 1101 N ALA A 78 8.671 3.947 -8.572 1.00 1.34 N ATOM 1102 CA ALA A 78 8.976 2.860 -9.476 1.00 15.14 C ATOM 1103 C ALA A 78 8.713 1.498 -8.846 1.00 32.52 C ATOM 1104 O ALA A 78 8.293 0.599 -9.571 1.00 64.11 O ATOM 1105 CB ALA A 78 10.430 2.943 -9.911 1.00 44.41 C ATOM 0 H ALA A 78 9.455 4.575 -8.393 1.00 1.34 H new ATOM 0 HA ALA A 78 8.318 2.961 -10.339 1.00 15.14 H new ATOM 0 HB1 ALA A 78 10.654 2.122 -10.592 1.00 44.41 H new ATOM 0 HB2 ALA A 78 10.605 3.892 -10.418 1.00 44.41 H new ATOM 0 HB3 ALA A 78 11.076 2.875 -9.036 1.00 44.41 H new ATOM 1111 N TYR A 79 8.940 1.320 -7.537 1.00 20.12 N ATOM 1112 CA TYR A 79 8.714 0.035 -6.884 1.00 72.35 C ATOM 1113 C TYR A 79 7.272 -0.429 -7.090 1.00 12.00 C ATOM 1114 O TYR A 79 7.064 -1.618 -7.340 1.00 53.45 O ATOM 1115 CB TYR A 79 9.025 0.089 -5.381 1.00 62.41 C ATOM 1116 CG TYR A 79 8.876 -1.248 -4.674 1.00 65.24 C ATOM 1117 CD1 TYR A 79 7.595 -1.702 -4.303 1.00 21.40 C ATOM 1118 CD2 TYR A 79 9.994 -2.073 -4.444 1.00 33.30 C ATOM 1119 CE1 TYR A 79 7.420 -2.982 -3.753 1.00 33.23 C ATOM 1120 CE2 TYR A 79 9.823 -3.362 -3.903 1.00 71.52 C ATOM 1121 CZ TYR A 79 8.531 -3.832 -3.564 1.00 13.43 C ATOM 1122 OH TYR A 79 8.358 -5.085 -3.057 1.00 23.53 O ATOM 0 H TYR A 79 9.280 2.053 -6.915 1.00 20.12 H new ATOM 0 HA TYR A 79 9.397 -0.678 -7.346 1.00 72.35 H new ATOM 0 HB2 TYR A 79 10.044 0.450 -5.243 1.00 62.41 H new ATOM 0 HB3 TYR A 79 8.363 0.815 -4.909 1.00 62.41 H new ATOM 0 HD1 TYR A 79 6.739 -1.059 -4.443 1.00 21.40 H new ATOM 0 HD2 TYR A 79 10.985 -1.716 -4.683 1.00 33.30 H new ATOM 0 HE1 TYR A 79 6.432 -3.317 -3.474 1.00 33.23 H new ATOM 0 HE2 TYR A 79 10.683 -3.996 -3.746 1.00 71.52 H new ATOM 0 HH TYR A 79 9.226 -5.535 -2.993 1.00 23.53 H new ATOM 1131 N ALA A 80 6.296 0.483 -6.989 1.00 22.23 N ATOM 1132 CA ALA A 80 4.884 0.157 -7.155 1.00 13.30 C ATOM 1133 C ALA A 80 4.632 -0.412 -8.548 1.00 31.13 C ATOM 1134 O ALA A 80 4.017 -1.471 -8.684 1.00 63.54 O ATOM 1135 CB ALA A 80 3.998 1.386 -6.903 1.00 15.00 C ATOM 0 H ALA A 80 6.470 1.468 -6.789 1.00 22.23 H new ATOM 0 HA ALA A 80 4.621 -0.600 -6.416 1.00 13.30 H new ATOM 0 HB1 ALA A 80 2.951 1.113 -7.034 1.00 15.00 H new ATOM 0 HB2 ALA A 80 4.155 1.745 -5.886 1.00 15.00 H new ATOM 0 HB3 ALA A 80 4.259 2.174 -7.610 1.00 15.00 H new ATOM 1141 N GLU A 81 5.131 0.266 -9.581 1.00 75.44 N ATOM 1142 CA GLU A 81 4.932 -0.135 -10.964 1.00 1.14 C ATOM 1143 C GLU A 81 5.680 -1.425 -11.255 1.00 34.20 C ATOM 1144 O GLU A 81 5.238 -2.239 -12.063 1.00 31.10 O ATOM 1145 CB GLU A 81 5.423 0.969 -11.911 1.00 11.11 C ATOM 1146 CG GLU A 81 4.481 2.175 -11.832 1.00 73.51 C ATOM 1147 CD GLU A 81 4.527 3.086 -13.059 1.00 15.04 C ATOM 1148 OE1 GLU A 81 4.540 2.592 -14.210 1.00 41.35 O ATOM 1149 OE2 GLU A 81 4.521 4.330 -12.894 1.00 33.31 O ATOM 0 H GLU A 81 5.688 1.114 -9.476 1.00 75.44 H new ATOM 0 HA GLU A 81 3.866 -0.299 -11.125 1.00 1.14 H new ATOM 0 HB2 GLU A 81 6.436 1.268 -11.642 1.00 11.11 H new ATOM 0 HB3 GLU A 81 5.463 0.593 -12.933 1.00 11.11 H new ATOM 0 HG2 GLU A 81 3.460 1.817 -11.697 1.00 73.51 H new ATOM 0 HG3 GLU A 81 4.732 2.761 -10.948 1.00 73.51 H new ATOM 1154 N ARG A 82 6.834 -1.597 -10.619 1.00 44.34 N ATOM 1155 CA ARG A 82 7.731 -2.704 -10.864 1.00 3.30 C ATOM 1156 C ARG A 82 7.217 -3.979 -10.223 1.00 63.53 C ATOM 1157 O ARG A 82 7.122 -4.999 -10.895 1.00 3.14 O ATOM 1158 CB ARG A 82 9.116 -2.305 -10.330 1.00 65.23 C ATOM 1159 CG ARG A 82 10.144 -3.437 -10.236 1.00 51.02 C ATOM 1160 CD ARG A 82 11.489 -2.894 -9.713 1.00 45.05 C ATOM 1161 NE ARG A 82 12.308 -3.925 -9.051 1.00 63.12 N ATOM 1162 CZ ARG A 82 12.646 -5.124 -9.531 1.00 4.00 C ATOM 1163 NH1 ARG A 82 12.489 -5.432 -10.817 1.00 31.13 N ATOM 1164 NH2 ARG A 82 13.148 -6.018 -8.696 1.00 4.44 N ATOM 0 H ARG A 82 7.173 -0.953 -9.905 1.00 44.34 H new ATOM 0 HA ARG A 82 7.797 -2.914 -11.932 1.00 3.30 H new ATOM 0 HB2 ARG A 82 9.521 -1.524 -10.973 1.00 65.23 H new ATOM 0 HB3 ARG A 82 8.991 -1.869 -9.339 1.00 65.23 H new ATOM 0 HG2 ARG A 82 9.776 -4.218 -9.571 1.00 51.02 H new ATOM 0 HG3 ARG A 82 10.284 -3.893 -11.216 1.00 51.02 H new ATOM 0 HD2 ARG A 82 12.051 -2.470 -10.545 1.00 45.05 H new ATOM 0 HD3 ARG A 82 11.298 -2.083 -9.010 1.00 45.05 H new ATOM 0 HE ARG A 82 12.656 -3.696 -8.120 1.00 63.12 H new ATOM 0 HH11 ARG A 82 12.102 -4.744 -11.463 1.00 31.13 H new ATOM 0 HH12 ARG A 82 12.756 -6.356 -11.156 1.00 31.13 H new ATOM 0 HH21 ARG A 82 13.269 -5.784 -7.711 1.00 4.44 H new ATOM 0 HH22 ARG A 82 13.414 -6.942 -9.037 1.00 4.44 H new ATOM 1175 N ALA A 83 6.881 -3.964 -8.937 1.00 14.41 N ATOM 1176 CA ALA A 83 6.370 -5.159 -8.280 1.00 33.41 C ATOM 1177 C ALA A 83 5.121 -5.617 -9.031 1.00 33.52 C ATOM 1178 O ALA A 83 5.007 -6.776 -9.434 1.00 34.42 O ATOM 1179 CB ALA A 83 6.107 -4.863 -6.798 1.00 74.11 C ATOM 0 H ALA A 83 6.953 -3.144 -8.334 1.00 14.41 H new ATOM 0 HA ALA A 83 7.096 -5.971 -8.307 1.00 33.41 H new ATOM 0 HB1 ALA A 83 5.725 -5.760 -6.310 1.00 74.11 H new ATOM 0 HB2 ALA A 83 7.036 -4.557 -6.318 1.00 74.11 H new ATOM 0 HB3 ALA A 83 5.373 -4.062 -6.712 1.00 74.11 H new ATOM 1185 N ALA A 84 4.242 -4.667 -9.352 1.00 62.12 N ATOM 1186 CA ALA A 84 2.979 -4.943 -10.012 1.00 33.11 C ATOM 1187 C ALA A 84 3.085 -5.229 -11.507 1.00 75.22 C ATOM 1188 O ALA A 84 2.056 -5.288 -12.183 1.00 34.31 O ATOM 1189 CB ALA A 84 2.007 -3.800 -9.731 1.00 74.44 C ATOM 0 H ALA A 84 4.394 -3.678 -9.157 1.00 62.12 H new ATOM 0 HA ALA A 84 2.603 -5.875 -9.589 1.00 33.11 H new ATOM 0 HB1 ALA A 84 1.056 -4.001 -10.224 1.00 74.44 H new ATOM 0 HB2 ALA A 84 1.847 -3.714 -8.656 1.00 74.44 H new ATOM 0 HB3 ALA A 84 2.423 -2.867 -10.112 1.00 74.44 H new ATOM 1195 N ARG A 85 4.289 -5.385 -12.056 1.00 4.11 N ATOM 1196 CA ARG A 85 4.470 -5.814 -13.443 1.00 0.30 C ATOM 1197 C ARG A 85 5.152 -7.173 -13.526 1.00 55.45 C ATOM 1198 O ARG A 85 5.343 -7.674 -14.634 1.00 71.25 O ATOM 1199 CB ARG A 85 5.103 -4.685 -14.258 1.00 60.53 C ATOM 1200 CG ARG A 85 6.614 -4.699 -14.165 1.00 1.43 C ATOM 1201 CD ARG A 85 7.302 -3.542 -14.871 1.00 4.02 C ATOM 1202 NE ARG A 85 6.676 -2.233 -14.623 1.00 40.05 N ATOM 1203 CZ ARG A 85 6.918 -1.144 -15.359 1.00 60.55 C ATOM 1204 NH1 ARG A 85 8.016 -1.081 -16.107 1.00 43.35 N ATOM 1205 NH2 ARG A 85 6.057 -0.141 -15.367 1.00 33.44 N ATOM 0 H ARG A 85 5.162 -5.219 -11.556 1.00 4.11 H new ATOM 0 HA ARG A 85 3.504 -5.996 -13.915 1.00 0.30 H new ATOM 0 HB2 ARG A 85 4.803 -4.779 -15.302 1.00 60.53 H new ATOM 0 HB3 ARG A 85 4.726 -3.726 -13.903 1.00 60.53 H new ATOM 0 HG2 ARG A 85 6.900 -4.688 -13.113 1.00 1.43 H new ATOM 0 HG3 ARG A 85 6.982 -5.635 -14.586 1.00 1.43 H new ATOM 0 HD2 ARG A 85 8.343 -3.502 -14.551 1.00 4.02 H new ATOM 0 HD3 ARG A 85 7.305 -3.734 -15.944 1.00 4.02 H new ATOM 0 HE ARG A 85 6.021 -2.153 -13.846 1.00 40.05 H new ATOM 0 HH11 ARG A 85 8.671 -1.863 -16.118 1.00 43.35 H new ATOM 0 HH12 ARG A 85 8.203 -0.251 -16.670 1.00 43.35 H new ATOM 0 HH21 ARG A 85 5.204 -0.196 -14.810 1.00 33.44 H new ATOM 0 HH22 ARG A 85 6.245 0.688 -15.930 1.00 33.44 H new ATOM 1216 N ILE A 86 5.550 -7.750 -12.394 1.00 32.31 N ATOM 1217 CA ILE A 86 6.231 -9.034 -12.332 1.00 65.51 C ATOM 1218 C ILE A 86 5.330 -10.021 -11.587 1.00 61.21 C ATOM 1219 O ILE A 86 5.130 -11.138 -12.072 1.00 43.23 O ATOM 1220 CB ILE A 86 7.616 -8.888 -11.662 1.00 22.31 C ATOM 1221 CG1 ILE A 86 8.474 -7.709 -12.182 1.00 74.12 C ATOM 1222 CG2 ILE A 86 8.410 -10.189 -11.867 1.00 2.00 C ATOM 1223 CD1 ILE A 86 9.413 -7.173 -11.094 1.00 5.11 C ATOM 0 H ILE A 86 5.403 -7.326 -11.478 1.00 32.31 H new ATOM 0 HA ILE A 86 6.415 -9.414 -13.337 1.00 65.51 H new ATOM 0 HB ILE A 86 7.413 -8.680 -10.611 1.00 22.31 H new ATOM 0 HG12 ILE A 86 9.060 -8.036 -13.041 1.00 74.12 H new ATOM 0 HG13 ILE A 86 7.821 -6.907 -12.528 1.00 74.12 H new ATOM 0 HG21 ILE A 86 9.389 -10.095 -11.397 1.00 2.00 H new ATOM 0 HG22 ILE A 86 7.869 -11.020 -11.415 1.00 2.00 H new ATOM 0 HG23 ILE A 86 8.535 -10.374 -12.934 1.00 2.00 H new ATOM 0 HD11 ILE A 86 10.000 -6.346 -11.495 1.00 5.11 H new ATOM 0 HD12 ILE A 86 8.825 -6.823 -10.246 1.00 5.11 H new ATOM 0 HD13 ILE A 86 10.083 -7.968 -10.767 1.00 5.11 H new ATOM 1234 N ASP A 87 4.770 -9.611 -10.438 1.00 51.25 N ATOM 1235 CA ASP A 87 3.824 -10.449 -9.701 1.00 0.11 C ATOM 1236 C ASP A 87 2.584 -10.658 -10.588 1.00 74.44 C ATOM 1237 O ASP A 87 2.197 -9.748 -11.336 1.00 72.35 O ATOM 1238 CB ASP A 87 3.440 -9.820 -8.345 1.00 35.01 C ATOM 1239 CG ASP A 87 4.112 -10.493 -7.141 1.00 30.40 C ATOM 1240 OD1 ASP A 87 5.346 -10.328 -6.955 1.00 23.44 O ATOM 1241 OD2 ASP A 87 3.412 -11.140 -6.337 1.00 10.52 O ATOM 0 H ASP A 87 4.958 -8.707 -10.004 1.00 51.25 H new ATOM 0 HA ASP A 87 4.288 -11.409 -9.472 1.00 0.11 H new ATOM 0 HB2 ASP A 87 3.708 -8.763 -8.356 1.00 35.01 H new ATOM 0 HB3 ASP A 87 2.358 -9.873 -8.223 1.00 35.01 H new ATOM 1245 N PRO A 88 1.952 -11.840 -10.527 1.00 31.00 N ATOM 1246 CA PRO A 88 0.800 -12.166 -11.361 1.00 73.31 C ATOM 1247 C PRO A 88 -0.444 -11.388 -10.924 1.00 33.33 C ATOM 1248 O PRO A 88 -1.231 -10.923 -11.752 1.00 23.42 O ATOM 1249 CB PRO A 88 0.614 -13.682 -11.212 1.00 60.14 C ATOM 1250 CG PRO A 88 1.248 -14.009 -9.857 1.00 44.43 C ATOM 1251 CD PRO A 88 2.361 -12.983 -9.725 1.00 63.13 C ATOM 0 HA PRO A 88 0.957 -11.886 -12.403 1.00 73.31 H new ATOM 0 HB2 PRO A 88 -0.440 -13.958 -11.235 1.00 60.14 H new ATOM 0 HB3 PRO A 88 1.103 -14.224 -12.021 1.00 60.14 H new ATOM 0 HG2 PRO A 88 0.526 -13.923 -9.045 1.00 44.43 H new ATOM 0 HG3 PRO A 88 1.636 -15.027 -9.832 1.00 44.43 H new ATOM 0 HD2 PRO A 88 2.506 -12.697 -8.683 1.00 63.13 H new ATOM 0 HD3 PRO A 88 3.309 -13.388 -10.079 1.00 63.13 H new ATOM 1256 N ASP A 89 -0.619 -11.212 -9.620 1.00 52.15 N ATOM 1257 CA ASP A 89 -1.781 -10.714 -8.941 1.00 3.13 C ATOM 1258 C ASP A 89 -1.260 -9.960 -7.741 1.00 13.10 C ATOM 1259 O ASP A 89 -1.144 -10.484 -6.632 1.00 32.11 O ATOM 1260 CB ASP A 89 -2.747 -11.838 -8.542 1.00 53.21 C ATOM 1261 CG ASP A 89 -2.115 -13.172 -8.129 1.00 75.05 C ATOM 1262 OD1 ASP A 89 -1.639 -13.334 -6.987 1.00 61.31 O ATOM 1263 OD2 ASP A 89 -2.108 -14.098 -8.970 1.00 22.01 O ATOM 0 H ASP A 89 0.126 -11.439 -8.961 1.00 52.15 H new ATOM 0 HA ASP A 89 -2.368 -10.066 -9.591 1.00 3.13 H new ATOM 0 HB2 ASP A 89 -3.361 -11.482 -7.715 1.00 53.21 H new ATOM 0 HB3 ASP A 89 -3.418 -12.024 -9.381 1.00 53.21 H new ATOM 1267 N ILE A 90 -1.017 -8.674 -7.945 1.00 42.21 N ATOM 1268 CA ILE A 90 -0.833 -7.717 -6.866 1.00 73.02 C ATOM 1269 C ILE A 90 -1.646 -6.444 -7.130 1.00 44.44 C ATOM 1270 O ILE A 90 -1.553 -5.829 -8.193 1.00 43.44 O ATOM 1271 CB ILE A 90 0.665 -7.551 -6.606 1.00 4.14 C ATOM 1272 CG1 ILE A 90 0.942 -6.783 -5.312 1.00 75.22 C ATOM 1273 CG2 ILE A 90 1.388 -6.919 -7.790 1.00 35.44 C ATOM 1274 CD1 ILE A 90 2.388 -6.987 -4.838 1.00 61.32 C ATOM 0 H ILE A 90 -0.941 -8.262 -8.875 1.00 42.21 H new ATOM 0 HA ILE A 90 -1.243 -8.073 -5.921 1.00 73.02 H new ATOM 0 HB ILE A 90 1.068 -8.556 -6.480 1.00 4.14 H new ATOM 0 HG12 ILE A 90 0.756 -5.721 -5.471 1.00 75.22 H new ATOM 0 HG13 ILE A 90 0.253 -7.115 -4.536 1.00 75.22 H new ATOM 0 HG21 ILE A 90 2.449 -6.821 -7.559 1.00 35.44 H new ATOM 0 HG22 ILE A 90 1.265 -7.550 -8.670 1.00 35.44 H new ATOM 0 HG23 ILE A 90 0.968 -5.933 -7.989 1.00 35.44 H new ATOM 0 HD11 ILE A 90 2.551 -6.428 -3.917 1.00 61.32 H new ATOM 0 HD12 ILE A 90 2.565 -8.047 -4.655 1.00 61.32 H new ATOM 0 HD13 ILE A 90 3.076 -6.631 -5.605 1.00 61.32 H new ATOM 1285 N TRP A 91 -2.488 -6.087 -6.161 1.00 23.01 N ATOM 1286 CA TRP A 91 -3.265 -4.850 -6.169 1.00 61.13 C ATOM 1287 C TRP A 91 -2.304 -3.704 -5.857 1.00 3.44 C ATOM 1288 O TRP A 91 -1.441 -3.842 -4.992 1.00 34.50 O ATOM 1289 CB TRP A 91 -4.397 -4.868 -5.120 1.00 61.22 C ATOM 1290 CG TRP A 91 -5.583 -5.761 -5.375 1.00 41.33 C ATOM 1291 CD1 TRP A 91 -5.545 -7.101 -5.407 1.00 54.23 C ATOM 1292 CD2 TRP A 91 -6.988 -5.440 -5.606 1.00 32.14 C ATOM 1293 NE1 TRP A 91 -6.793 -7.634 -5.632 1.00 20.00 N ATOM 1294 CE2 TRP A 91 -7.728 -6.642 -5.812 1.00 14.13 C ATOM 1295 CE3 TRP A 91 -7.718 -4.245 -5.639 1.00 64.31 C ATOM 1296 CZ2 TRP A 91 -9.102 -6.640 -6.106 1.00 0.54 C ATOM 1297 CZ3 TRP A 91 -9.107 -4.218 -5.873 1.00 11.24 C ATOM 1298 CH2 TRP A 91 -9.796 -5.419 -6.116 1.00 73.14 C ATOM 0 H TRP A 91 -2.652 -6.661 -5.334 1.00 23.01 H new ATOM 0 HA TRP A 91 -3.734 -4.731 -7.146 1.00 61.13 H new ATOM 0 HB2 TRP A 91 -3.961 -5.156 -4.163 1.00 61.22 H new ATOM 0 HB3 TRP A 91 -4.765 -3.848 -5.008 1.00 61.22 H new ATOM 0 HD1 TRP A 91 -4.648 -7.688 -5.273 1.00 54.23 H new ATOM 0 HE1 TRP A 91 -6.998 -8.633 -5.661 1.00 20.00 H new ATOM 0 HE3 TRP A 91 -7.198 -3.312 -5.480 1.00 64.31 H new ATOM 0 HZ2 TRP A 91 -9.617 -7.564 -6.321 1.00 0.54 H new ATOM 0 HZ3 TRP A 91 -9.640 -3.279 -5.866 1.00 11.24 H new ATOM 0 HH2 TRP A 91 -10.858 -5.403 -6.310 1.00 73.14 H new ATOM 1308 N VAL A 92 -2.499 -2.555 -6.498 1.00 54.35 N ATOM 1309 CA VAL A 92 -1.713 -1.346 -6.280 1.00 61.44 C ATOM 1310 C VAL A 92 -2.692 -0.323 -5.741 1.00 73.32 C ATOM 1311 O VAL A 92 -3.677 -0.008 -6.415 1.00 32.53 O ATOM 1312 CB VAL A 92 -1.070 -0.891 -7.606 1.00 23.22 C ATOM 1313 CG1 VAL A 92 -0.320 0.440 -7.564 1.00 74.12 C ATOM 1314 CG2 VAL A 92 -0.058 -1.905 -8.140 1.00 31.41 C ATOM 0 H VAL A 92 -3.228 -2.437 -7.202 1.00 54.35 H new ATOM 0 HA VAL A 92 -0.891 -1.497 -5.581 1.00 61.44 H new ATOM 0 HB VAL A 92 -1.946 -0.787 -8.246 1.00 23.22 H new ATOM 0 HG11 VAL A 92 0.089 0.658 -8.550 1.00 74.12 H new ATOM 0 HG12 VAL A 92 -1.006 1.235 -7.272 1.00 74.12 H new ATOM 0 HG13 VAL A 92 0.492 0.377 -6.840 1.00 74.12 H new ATOM 0 HG21 VAL A 92 0.366 -1.538 -9.075 1.00 31.41 H new ATOM 0 HG22 VAL A 92 0.739 -2.043 -7.409 1.00 31.41 H new ATOM 0 HG23 VAL A 92 -0.557 -2.858 -8.317 1.00 31.41 H new ATOM 1324 N VAL A 93 -2.436 0.188 -4.542 1.00 61.32 N ATOM 1325 CA VAL A 93 -3.232 1.237 -3.930 1.00 53.45 C ATOM 1326 C VAL A 93 -2.262 2.389 -3.659 1.00 74.24 C ATOM 1327 O VAL A 93 -1.188 2.178 -3.080 1.00 71.33 O ATOM 1328 CB VAL A 93 -3.981 0.685 -2.696 1.00 11.01 C ATOM 1329 CG1 VAL A 93 -5.117 1.630 -2.294 1.00 1.14 C ATOM 1330 CG2 VAL A 93 -4.633 -0.683 -2.989 1.00 20.42 C ATOM 0 H VAL A 93 -1.657 -0.122 -3.962 1.00 61.32 H new ATOM 0 HA VAL A 93 -4.033 1.612 -4.567 1.00 53.45 H new ATOM 0 HB VAL A 93 -3.239 0.589 -1.903 1.00 11.01 H new ATOM 0 HG11 VAL A 93 -5.635 1.227 -1.424 1.00 1.14 H new ATOM 0 HG12 VAL A 93 -4.706 2.610 -2.051 1.00 1.14 H new ATOM 0 HG13 VAL A 93 -5.820 1.727 -3.121 1.00 1.14 H new ATOM 0 HG21 VAL A 93 -5.150 -1.038 -2.097 1.00 20.42 H new ATOM 0 HG22 VAL A 93 -5.348 -0.578 -3.805 1.00 20.42 H new ATOM 0 HG23 VAL A 93 -3.862 -1.400 -3.271 1.00 20.42 H new ATOM 1340 N GLU A 94 -2.588 3.580 -4.167 1.00 41.35 N ATOM 1341 CA GLU A 94 -1.693 4.730 -4.219 1.00 2.43 C ATOM 1342 C GLU A 94 -2.322 5.880 -3.426 1.00 3.11 C ATOM 1343 O GLU A 94 -3.128 6.641 -3.965 1.00 32.10 O ATOM 1344 CB GLU A 94 -1.385 5.127 -5.679 1.00 4.41 C ATOM 1345 CG GLU A 94 -0.796 3.980 -6.515 1.00 73.54 C ATOM 1346 CD GLU A 94 -0.101 4.462 -7.798 1.00 33.41 C ATOM 1347 OE1 GLU A 94 -0.743 5.137 -8.643 1.00 54.12 O ATOM 1348 OE2 GLU A 94 1.082 4.113 -8.009 1.00 71.45 O ATOM 0 H GLU A 94 -3.508 3.772 -4.563 1.00 41.35 H new ATOM 0 HA GLU A 94 -0.736 4.476 -3.764 1.00 2.43 H new ATOM 0 HB2 GLU A 94 -2.302 5.478 -6.153 1.00 4.41 H new ATOM 0 HB3 GLU A 94 -0.686 5.963 -5.680 1.00 4.41 H new ATOM 0 HG2 GLU A 94 -0.080 3.427 -5.907 1.00 73.54 H new ATOM 0 HG3 GLU A 94 -1.593 3.285 -6.780 1.00 73.54 H new ATOM 1353 N ILE A 95 -1.990 5.980 -2.136 1.00 3.00 N ATOM 1354 CA ILE A 95 -2.441 7.073 -1.283 1.00 33.23 C ATOM 1355 C ILE A 95 -1.556 8.283 -1.611 1.00 14.44 C ATOM 1356 O ILE A 95 -0.347 8.140 -1.859 1.00 60.24 O ATOM 1357 CB ILE A 95 -2.417 6.707 0.233 1.00 15.20 C ATOM 1358 CG1 ILE A 95 -2.659 5.220 0.606 1.00 74.11 C ATOM 1359 CG2 ILE A 95 -3.443 7.569 0.985 1.00 60.44 C ATOM 1360 CD1 ILE A 95 -3.804 4.521 -0.132 1.00 63.25 C ATOM 0 H ILE A 95 -1.399 5.301 -1.656 1.00 3.00 H new ATOM 0 HA ILE A 95 -3.488 7.300 -1.484 1.00 33.23 H new ATOM 0 HB ILE A 95 -1.387 6.906 0.530 1.00 15.20 H new ATOM 0 HG12 ILE A 95 -1.740 4.665 0.419 1.00 74.11 H new ATOM 0 HG13 ILE A 95 -2.854 5.162 1.677 1.00 74.11 H new ATOM 0 HG21 ILE A 95 -3.426 7.313 2.044 1.00 60.44 H new ATOM 0 HG22 ILE A 95 -3.193 8.623 0.862 1.00 60.44 H new ATOM 0 HG23 ILE A 95 -4.439 7.383 0.583 1.00 60.44 H new ATOM 0 HD11 ILE A 95 -3.880 3.488 0.209 1.00 63.25 H new ATOM 0 HD12 ILE A 95 -4.740 5.040 0.073 1.00 63.25 H new ATOM 0 HD13 ILE A 95 -3.608 4.536 -1.204 1.00 63.25 H new ATOM 1371 N GLU A 96 -2.141 9.478 -1.603 1.00 12.44 N ATOM 1372 CA GLU A 96 -1.448 10.733 -1.829 1.00 35.23 C ATOM 1373 C GLU A 96 -1.921 11.755 -0.802 1.00 52.41 C ATOM 1374 O GLU A 96 -2.760 12.616 -1.084 1.00 31.53 O ATOM 1375 CB GLU A 96 -1.606 11.217 -3.276 1.00 1.32 C ATOM 1376 CG GLU A 96 -0.724 10.371 -4.195 1.00 3.20 C ATOM 1377 CD GLU A 96 -0.840 10.802 -5.643 1.00 61.53 C ATOM 1378 OE1 GLU A 96 -0.218 11.823 -5.998 1.00 33.54 O ATOM 1379 OE2 GLU A 96 -1.508 10.054 -6.405 1.00 33.34 O ATOM 0 H GLU A 96 -3.140 9.598 -1.434 1.00 12.44 H new ATOM 0 HA GLU A 96 -0.377 10.587 -1.692 1.00 35.23 H new ATOM 0 HB2 GLU A 96 -2.649 11.141 -3.584 1.00 1.32 H new ATOM 0 HB3 GLU A 96 -1.326 12.268 -3.352 1.00 1.32 H new ATOM 0 HG2 GLU A 96 0.315 10.450 -3.875 1.00 3.20 H new ATOM 0 HG3 GLU A 96 -1.006 9.322 -4.105 1.00 3.20 H new ATOM 1384 N ASP A 97 -1.370 11.673 0.409 1.00 60.25 N ATOM 1385 CA ASP A 97 -1.691 12.582 1.503 1.00 11.33 C ATOM 1386 C ASP A 97 -0.822 13.834 1.401 1.00 44.33 C ATOM 1387 O ASP A 97 0.078 13.935 0.556 1.00 0.41 O ATOM 1388 CB ASP A 97 -1.471 11.871 2.840 1.00 34.13 C ATOM 1389 CG ASP A 97 -2.758 11.278 3.390 1.00 62.25 C ATOM 1390 OD1 ASP A 97 -3.074 10.115 3.091 1.00 35.23 O ATOM 1391 OD2 ASP A 97 -3.387 11.982 4.218 1.00 62.15 O ATOM 0 H ASP A 97 -0.680 10.964 0.658 1.00 60.25 H new ATOM 0 HA ASP A 97 -2.737 12.883 1.439 1.00 11.33 H new ATOM 0 HB2 ASP A 97 -0.733 11.079 2.712 1.00 34.13 H new ATOM 0 HB3 ASP A 97 -1.060 12.576 3.562 1.00 34.13 H new ATOM 1395 N ARG A 98 -1.115 14.831 2.237 1.00 40.31 N ATOM 1396 CA ARG A 98 -0.122 15.838 2.571 1.00 15.14 C ATOM 1397 C ARG A 98 0.845 15.216 3.559 1.00 61.21 C ATOM 1398 O ARG A 98 1.903 14.789 3.127 1.00 75.22 O ATOM 1399 CB ARG A 98 -0.782 17.130 3.074 1.00 72.33 C ATOM 1400 CG ARG A 98 -1.136 17.972 1.848 1.00 64.41 C ATOM 1401 CD ARG A 98 -1.739 19.317 2.229 1.00 13.22 C ATOM 1402 NE ARG A 98 -3.169 19.216 2.543 1.00 73.51 N ATOM 1403 CZ ARG A 98 -3.938 20.243 2.907 1.00 24.11 C ATOM 1404 NH1 ARG A 98 -3.376 21.357 3.364 1.00 53.32 N ATOM 1405 NH2 ARG A 98 -5.254 20.132 2.797 1.00 55.21 N ATOM 0 H ARG A 98 -2.021 14.958 2.687 1.00 40.31 H new ATOM 0 HA ARG A 98 0.438 16.146 1.688 1.00 15.14 H new ATOM 0 HB2 ARG A 98 -1.676 16.903 3.654 1.00 72.33 H new ATOM 0 HB3 ARG A 98 -0.105 17.676 3.731 1.00 72.33 H new ATOM 0 HG2 ARG A 98 -0.240 18.134 1.249 1.00 64.41 H new ATOM 0 HG3 ARG A 98 -1.841 17.423 1.224 1.00 64.41 H new ATOM 0 HD2 ARG A 98 -1.207 19.720 3.091 1.00 13.22 H new ATOM 0 HD3 ARG A 98 -1.598 20.021 1.409 1.00 13.22 H new ATOM 0 HE ARG A 98 -3.605 18.296 2.478 1.00 73.51 H new ATOM 0 HH11 ARG A 98 -2.361 21.424 3.435 1.00 53.32 H new ATOM 0 HH12 ARG A 98 -3.960 22.145 3.644 1.00 53.32 H new ATOM 0 HH21 ARG A 98 -5.665 19.270 2.438 1.00 55.21 H new ATOM 0 HH22 ARG A 98 -5.856 20.908 3.071 1.00 55.21 H new ATOM 1416 N ASP A 99 0.498 15.143 4.844 1.00 35.44 N ATOM 1417 CA ASP A 99 1.434 14.689 5.877 1.00 12.24 C ATOM 1418 C ASP A 99 1.356 13.169 5.961 1.00 63.41 C ATOM 1419 O ASP A 99 0.662 12.635 6.824 1.00 40.24 O ATOM 1420 CB ASP A 99 1.124 15.347 7.233 1.00 75.22 C ATOM 1421 CG ASP A 99 2.165 15.004 8.314 1.00 52.31 C ATOM 1422 OD1 ASP A 99 3.362 15.277 8.109 1.00 53.33 O ATOM 1423 OD2 ASP A 99 1.758 14.661 9.452 1.00 63.41 O ATOM 0 H ASP A 99 -0.426 15.393 5.197 1.00 35.44 H new ATOM 0 HA ASP A 99 2.449 14.985 5.613 1.00 12.24 H new ATOM 0 HB2 ASP A 99 1.082 16.429 7.106 1.00 75.22 H new ATOM 0 HB3 ASP A 99 0.138 15.027 7.570 1.00 75.22 H new ATOM 1427 N GLY A 100 2.003 12.472 5.026 1.00 34.41 N ATOM 1428 CA GLY A 100 2.605 11.156 5.224 1.00 0.23 C ATOM 1429 C GLY A 100 1.724 10.025 5.780 1.00 11.12 C ATOM 1430 O GLY A 100 2.284 9.039 6.269 1.00 3.21 O ATOM 0 H GLY A 100 2.126 12.823 4.076 1.00 34.41 H new ATOM 0 HA2 GLY A 100 3.003 10.825 4.265 1.00 0.23 H new ATOM 0 HA3 GLY A 100 3.454 11.277 5.897 1.00 0.23 H new ATOM 1434 N ARG A 101 0.388 10.101 5.750 1.00 21.34 N ATOM 1435 CA ARG A 101 -0.447 9.029 6.301 1.00 55.21 C ATOM 1436 C ARG A 101 -0.355 7.782 5.418 1.00 43.01 C ATOM 1437 O ARG A 101 0.049 7.852 4.260 1.00 74.25 O ATOM 1438 CB ARG A 101 -1.908 9.473 6.411 1.00 61.45 C ATOM 1439 CG ARG A 101 -2.267 10.411 7.574 1.00 61.45 C ATOM 1440 CD ARG A 101 -3.137 9.668 8.600 1.00 64.23 C ATOM 1441 NE ARG A 101 -3.752 10.572 9.590 1.00 13.10 N ATOM 1442 CZ ARG A 101 -3.168 11.312 10.536 1.00 34.21 C ATOM 1443 NH1 ARG A 101 -1.874 11.188 10.797 1.00 3.04 N ATOM 1444 NH2 ARG A 101 -3.902 12.188 11.219 1.00 24.12 N ATOM 0 H ARG A 101 -0.132 10.884 5.355 1.00 21.34 H new ATOM 0 HA ARG A 101 -0.079 8.795 7.300 1.00 55.21 H new ATOM 0 HB2 ARG A 101 -2.182 9.968 5.480 1.00 61.45 H new ATOM 0 HB3 ARG A 101 -2.528 8.580 6.492 1.00 61.45 H new ATOM 0 HG2 ARG A 101 -1.358 10.775 8.052 1.00 61.45 H new ATOM 0 HG3 ARG A 101 -2.800 11.284 7.197 1.00 61.45 H new ATOM 0 HD2 ARG A 101 -3.922 9.122 8.076 1.00 64.23 H new ATOM 0 HD3 ARG A 101 -2.527 8.929 9.119 1.00 64.23 H new ATOM 0 HE ARG A 101 -4.769 10.642 9.546 1.00 13.10 H new ATOM 0 HH11 ARG A 101 -1.310 10.520 10.272 1.00 3.04 H new ATOM 0 HH12 ARG A 101 -1.443 11.761 11.523 1.00 3.04 H new ATOM 0 HH21 ARG A 101 -4.897 12.287 11.017 1.00 24.12 H new ATOM 0 HH22 ARG A 101 -3.469 12.760 11.944 1.00 24.12 H new ATOM 1455 N HIS A 102 -0.812 6.643 5.946 1.00 3.14 N ATOM 1456 CA HIS A 102 -1.085 5.437 5.164 1.00 24.40 C ATOM 1457 C HIS A 102 -2.486 4.861 5.429 1.00 13.20 C ATOM 1458 O HIS A 102 -2.933 4.007 4.671 1.00 41.41 O ATOM 1459 CB HIS A 102 0.033 4.393 5.363 1.00 44.41 C ATOM 1460 CG HIS A 102 0.526 4.223 6.780 1.00 23.42 C ATOM 1461 ND1 HIS A 102 -0.012 3.394 7.738 1.00 1.24 N ATOM 1462 CD2 HIS A 102 1.623 4.830 7.329 1.00 72.21 C ATOM 1463 CE1 HIS A 102 0.731 3.519 8.848 1.00 3.41 C ATOM 1464 NE2 HIS A 102 1.729 4.392 8.652 1.00 55.32 N ATOM 0 H HIS A 102 -1.005 6.533 6.942 1.00 3.14 H new ATOM 0 HA HIS A 102 -1.085 5.723 4.112 1.00 24.40 H new ATOM 0 HB2 HIS A 102 -0.328 3.429 5.005 1.00 44.41 H new ATOM 0 HB3 HIS A 102 0.879 4.670 4.734 1.00 44.41 H new ATOM 0 HD2 HIS A 102 2.286 5.522 6.831 1.00 72.21 H new ATOM 0 HE1 HIS A 102 0.550 2.989 9.772 1.00 3.41 H new ATOM 0 HE2 HIS A 102 2.429 4.680 9.335 1.00 55.32 H new ATOM 1471 N PHE A 103 -3.217 5.332 6.452 1.00 20.44 N ATOM 1472 CA PHE A 103 -4.608 4.949 6.737 1.00 14.04 C ATOM 1473 C PHE A 103 -4.823 3.432 6.908 1.00 35.42 C ATOM 1474 O PHE A 103 -5.914 2.909 6.666 1.00 60.04 O ATOM 1475 CB PHE A 103 -5.556 5.623 5.726 1.00 62.32 C ATOM 1476 CG PHE A 103 -5.864 7.062 6.080 1.00 42.23 C ATOM 1477 CD1 PHE A 103 -4.985 8.093 5.705 1.00 41.45 C ATOM 1478 CD2 PHE A 103 -7.038 7.371 6.795 1.00 51.04 C ATOM 1479 CE1 PHE A 103 -5.311 9.429 5.997 1.00 12.32 C ATOM 1480 CE2 PHE A 103 -7.350 8.706 7.103 1.00 41.33 C ATOM 1481 CZ PHE A 103 -6.486 9.736 6.700 1.00 3.44 C ATOM 0 H PHE A 103 -2.847 6.007 7.121 1.00 20.44 H new ATOM 0 HA PHE A 103 -4.864 5.332 7.725 1.00 14.04 H new ATOM 0 HB2 PHE A 103 -5.107 5.586 4.733 1.00 62.32 H new ATOM 0 HB3 PHE A 103 -6.487 5.059 5.676 1.00 62.32 H new ATOM 0 HD1 PHE A 103 -4.062 7.860 5.194 1.00 41.45 H new ATOM 0 HD2 PHE A 103 -7.701 6.578 7.108 1.00 51.04 H new ATOM 0 HE1 PHE A 103 -4.653 10.224 5.678 1.00 12.32 H new ATOM 0 HE2 PHE A 103 -8.253 8.939 7.649 1.00 41.33 H new ATOM 0 HZ PHE A 103 -6.725 10.764 6.931 1.00 3.44 H new ATOM 1490 N LEU A 104 -3.801 2.717 7.381 1.00 54.24 N ATOM 1491 CA LEU A 104 -3.796 1.262 7.552 1.00 11.44 C ATOM 1492 C LEU A 104 -4.261 0.853 8.966 1.00 54.12 C ATOM 1493 O LEU A 104 -4.573 1.715 9.794 1.00 63.35 O ATOM 1494 CB LEU A 104 -2.390 0.736 7.214 1.00 1.54 C ATOM 1495 CG LEU A 104 -1.918 0.870 5.758 1.00 32.24 C ATOM 1496 CD1 LEU A 104 -0.444 0.444 5.672 1.00 4.11 C ATOM 1497 CD2 LEU A 104 -2.779 0.061 4.787 1.00 41.42 C ATOM 0 H LEU A 104 -2.922 3.150 7.666 1.00 54.24 H new ATOM 0 HA LEU A 104 -4.513 0.807 6.869 1.00 11.44 H new ATOM 0 HB2 LEU A 104 -1.674 1.256 7.850 1.00 1.54 H new ATOM 0 HB3 LEU A 104 -2.350 -0.319 7.486 1.00 1.54 H new ATOM 0 HG LEU A 104 -2.022 1.913 5.458 1.00 32.24 H new ATOM 0 HD11 LEU A 104 -0.098 0.535 4.642 1.00 4.11 H new ATOM 0 HD12 LEU A 104 0.158 1.086 6.315 1.00 4.11 H new ATOM 0 HD13 LEU A 104 -0.345 -0.592 5.998 1.00 4.11 H new ATOM 0 HD21 LEU A 104 -2.403 0.191 3.772 1.00 41.42 H new ATOM 0 HD22 LEU A 104 -2.738 -0.994 5.057 1.00 41.42 H new ATOM 0 HD23 LEU A 104 -3.811 0.409 4.839 1.00 41.42 H new ATOM 1508 N THR A 105 -4.334 -0.451 9.245 1.00 13.52 N ATOM 1509 CA THR A 105 -4.878 -1.095 10.453 1.00 14.44 C ATOM 1510 C THR A 105 -3.905 -2.159 11.023 1.00 12.32 C ATOM 1511 O THR A 105 -4.180 -2.767 12.063 1.00 14.24 O ATOM 1512 CB THR A 105 -6.307 -1.634 10.134 1.00 71.34 C ATOM 1513 OG1 THR A 105 -6.876 -2.417 11.169 1.00 13.50 O ATOM 1514 CG2 THR A 105 -6.442 -2.453 8.848 1.00 20.32 C ATOM 0 H THR A 105 -3.987 -1.143 8.581 1.00 13.52 H new ATOM 0 HA THR A 105 -4.977 -0.367 11.258 1.00 14.44 H new ATOM 0 HB THR A 105 -6.846 -0.694 10.014 1.00 71.34 H new ATOM 0 HG1 THR A 105 -6.162 -2.794 11.724 1.00 13.50 H new ATOM 0 HG21 THR A 105 -7.476 -2.775 8.729 1.00 20.32 H new ATOM 0 HG22 THR A 105 -6.152 -1.840 7.994 1.00 20.32 H new ATOM 0 HG23 THR A 105 -5.794 -3.328 8.904 1.00 20.32 H new ATOM 1522 N GLU A 106 -2.755 -2.387 10.384 1.00 1.13 N ATOM 1523 CA GLU A 106 -1.845 -3.512 10.630 1.00 22.42 C ATOM 1524 C GLU A 106 -0.473 -3.007 11.105 1.00 74.15 C ATOM 1525 O GLU A 106 -0.205 -1.812 10.978 1.00 33.01 O ATOM 1526 CB GLU A 106 -1.754 -4.309 9.323 1.00 21.12 C ATOM 1527 CG GLU A 106 -3.030 -5.137 9.084 1.00 22.30 C ATOM 1528 CD GLU A 106 -3.237 -5.509 7.618 1.00 22.30 C ATOM 1529 OE1 GLU A 106 -3.027 -4.647 6.733 1.00 20.31 O ATOM 1530 OE2 GLU A 106 -3.698 -6.626 7.317 1.00 71.43 O ATOM 0 H GLU A 106 -2.417 -1.766 9.649 1.00 1.13 H new ATOM 0 HA GLU A 106 -2.217 -4.157 11.426 1.00 22.42 H new ATOM 0 HB2 GLU A 106 -1.599 -3.626 8.488 1.00 21.12 H new ATOM 0 HB3 GLU A 106 -0.889 -4.971 9.358 1.00 21.12 H new ATOM 0 HG2 GLU A 106 -2.982 -6.048 9.680 1.00 22.30 H new ATOM 0 HG3 GLU A 106 -3.894 -4.572 9.435 1.00 22.30 H new ATOM 1535 N PRO A 107 0.419 -3.842 11.660 1.00 60.35 N ATOM 1536 CA PRO A 107 1.751 -3.388 12.055 1.00 54.51 C ATOM 1537 C PRO A 107 2.590 -2.966 10.836 1.00 74.32 C ATOM 1538 O PRO A 107 2.378 -3.452 9.721 1.00 53.13 O ATOM 1539 CB PRO A 107 2.372 -4.562 12.810 1.00 42.11 C ATOM 1540 CG PRO A 107 1.638 -5.782 12.258 1.00 50.22 C ATOM 1541 CD PRO A 107 0.236 -5.247 11.986 1.00 1.30 C ATOM 0 HA PRO A 107 1.706 -2.498 12.683 1.00 54.51 H new ATOM 0 HB2 PRO A 107 3.446 -4.628 12.633 1.00 42.11 H new ATOM 0 HB3 PRO A 107 2.231 -4.464 13.886 1.00 42.11 H new ATOM 0 HG2 PRO A 107 2.109 -6.159 11.350 1.00 50.22 H new ATOM 0 HG3 PRO A 107 1.624 -6.603 12.975 1.00 50.22 H new ATOM 0 HD2 PRO A 107 -0.237 -5.783 11.163 1.00 1.30 H new ATOM 0 HD3 PRO A 107 -0.407 -5.368 12.857 1.00 1.30 H new ATOM 1546 N VAL A 108 3.568 -2.085 11.063 1.00 30.20 N ATOM 1547 CA VAL A 108 4.453 -1.513 10.052 1.00 22.24 C ATOM 1548 C VAL A 108 5.887 -1.616 10.572 1.00 74.43 C ATOM 1549 O VAL A 108 6.243 -0.960 11.559 1.00 54.34 O ATOM 1550 CB VAL A 108 4.077 -0.053 9.717 1.00 11.31 C ATOM 1551 CG1 VAL A 108 4.885 0.484 8.535 1.00 10.53 C ATOM 1552 CG2 VAL A 108 2.611 0.115 9.334 1.00 4.34 C ATOM 0 H VAL A 108 3.771 -1.737 12.000 1.00 30.20 H new ATOM 0 HA VAL A 108 4.352 -2.069 9.120 1.00 22.24 H new ATOM 0 HB VAL A 108 4.292 0.496 10.633 1.00 11.31 H new ATOM 0 HG11 VAL A 108 4.591 1.514 8.331 1.00 10.53 H new ATOM 0 HG12 VAL A 108 5.948 0.451 8.776 1.00 10.53 H new ATOM 0 HG13 VAL A 108 4.693 -0.129 7.655 1.00 10.53 H new ATOM 0 HG21 VAL A 108 2.411 1.163 9.111 1.00 4.34 H new ATOM 0 HG22 VAL A 108 2.393 -0.492 8.455 1.00 4.34 H new ATOM 0 HG23 VAL A 108 1.979 -0.206 10.162 1.00 4.34 H new ATOM 1562 N GLU A 109 6.679 -2.456 9.912 1.00 51.43 N ATOM 1563 CA GLU A 109 8.116 -2.585 10.077 1.00 14.31 C ATOM 1564 C GLU A 109 8.846 -1.310 9.643 1.00 63.24 C ATOM 1565 O GLU A 109 8.268 -0.358 9.108 1.00 33.32 O ATOM 1566 CB GLU A 109 8.601 -3.792 9.248 1.00 51.32 C ATOM 1567 CG GLU A 109 9.055 -4.960 10.119 1.00 43.33 C ATOM 1568 CD GLU A 109 10.453 -4.676 10.665 1.00 23.22 C ATOM 1569 OE1 GLU A 109 10.597 -3.796 11.534 1.00 32.42 O ATOM 1570 OE2 GLU A 109 11.433 -5.227 10.115 1.00 22.31 O ATOM 0 H GLU A 109 6.311 -3.098 9.210 1.00 51.43 H new ATOM 0 HA GLU A 109 8.340 -2.742 11.132 1.00 14.31 H new ATOM 0 HB2 GLU A 109 7.796 -4.124 8.592 1.00 51.32 H new ATOM 0 HB3 GLU A 109 9.426 -3.480 8.607 1.00 51.32 H new ATOM 0 HG2 GLU A 109 8.355 -5.108 10.941 1.00 43.33 H new ATOM 0 HG3 GLU A 109 9.061 -5.881 9.536 1.00 43.33 H new ATOM 1575 N SER A 110 10.148 -1.310 9.878 1.00 34.20 N ATOM 1576 CA SER A 110 11.039 -0.170 9.681 1.00 23.11 C ATOM 1577 C SER A 110 12.335 -0.610 9.025 1.00 11.32 C ATOM 1578 O SER A 110 12.435 -1.798 8.648 1.00 54.15 O ATOM 1579 CB SER A 110 11.262 0.512 11.034 1.00 72.02 C ATOM 1580 OG SER A 110 11.596 -0.432 12.035 1.00 63.05 O ATOM 0 H SER A 110 10.636 -2.136 10.225 1.00 34.20 H new ATOM 0 HA SER A 110 10.588 0.554 9.002 1.00 23.11 H new ATOM 0 HB2 SER A 110 12.060 1.249 10.945 1.00 72.02 H new ATOM 0 HB3 SER A 110 10.361 1.051 11.325 1.00 72.02 H new ATOM 0 HG SER A 110 11.735 0.031 12.888 1.00 63.05 H new TER 1585 SER A 110