USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 730 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 70 HIS : no HD1:sc= -0.534 K(o=-1.5,f=-0.93) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= -0.979 USER MOD Set 2.1: A 45 ASN : amide:sc= 0.196 K(o=-0.33,f=-4.8!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= -0.528 USER MOD Set 3.1: A 20 TYR OH : rot 165:sc= -0.279 USER MOD Set 3.2: A 21 MET CE :methyl -125:sc= -4.25! (180deg=-9.81!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0876 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.214 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 152:sc= -0.011 (180deg=-0.338) USER MOD Single : A 11 SER OG : rot 180:sc= -0.105 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.371 K(o=0.37,f=-3.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 33 MET CE :methyl 176:sc= -4.27! (180deg=-4.44!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.225 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 55 CYS SG : rot 90:sc= -2.07 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -1.72 (180deg=-3.4!) USER MOD Single : A 68 CYS SG : rot -141:sc= -2.25! USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 0.64 (180deg=-0.131) USER MOD Single : A 73 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 46:sc= 0.00256 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00928) USER MOD Single : A 89 ASN : amide:sc= -0.055 X(o=-0.055,f=0.38) USER MOD Single : A 92 THR OG1 : rot -60:sc= 0.468 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 23:sc= 0.637 USER MOD Single : A 98 SER OG : rot -58:sc= 0.0269 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.909 14.641 -9.253 1.00 0.00 N ATOM 2 CA GLY A 1 21.134 13.416 -9.197 1.00 0.00 C ATOM 3 C GLY A 1 20.913 12.806 -10.567 1.00 0.00 C ATOM 4 O GLY A 1 21.402 13.324 -11.570 1.00 0.00 O ATOM 0 H1 GLY A 1 22.787 14.521 -8.709 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.142 14.859 -10.243 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.354 15.422 -8.848 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.646 12.695 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.169 13.621 -8.734 1.00 0.00 H new ATOM 8 N SER A 2 20.174 11.702 -10.610 1.00 0.00 N ATOM 9 CA SER A 2 19.894 11.018 -11.867 1.00 0.00 C ATOM 10 C SER A 2 18.902 11.814 -12.709 1.00 0.00 C ATOM 11 O SER A 2 17.859 12.245 -12.218 1.00 0.00 O ATOM 12 CB SER A 2 19.342 9.617 -11.597 1.00 0.00 C ATOM 13 OG SER A 2 19.412 8.809 -12.760 1.00 0.00 O ATOM 0 H SER A 2 19.758 11.262 -9.789 1.00 0.00 H new ATOM 0 HA SER A 2 20.828 10.932 -12.422 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.907 9.149 -10.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.307 9.689 -11.262 1.00 0.00 H new ATOM 0 HG SER A 2 19.055 7.918 -12.561 1.00 0.00 H new ATOM 19 N SER A 3 19.235 12.005 -13.982 1.00 0.00 N ATOM 20 CA SER A 3 18.377 12.752 -14.893 1.00 0.00 C ATOM 21 C SER A 3 17.846 11.850 -16.002 1.00 0.00 C ATOM 22 O SER A 3 17.642 12.291 -17.133 1.00 0.00 O ATOM 23 CB SER A 3 19.143 13.929 -15.500 1.00 0.00 C ATOM 24 OG SER A 3 20.270 13.480 -16.232 1.00 0.00 O ATOM 0 H SER A 3 20.093 11.652 -14.405 1.00 0.00 H new ATOM 0 HA SER A 3 17.530 13.134 -14.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.483 14.498 -16.155 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.465 14.605 -14.708 1.00 0.00 H new ATOM 0 HG SER A 3 20.742 14.251 -16.611 1.00 0.00 H new ATOM 30 N GLY A 4 17.625 10.581 -15.670 1.00 0.00 N ATOM 31 CA GLY A 4 17.121 9.636 -16.649 1.00 0.00 C ATOM 32 C GLY A 4 15.650 9.843 -16.950 1.00 0.00 C ATOM 33 O GLY A 4 14.986 10.657 -16.308 1.00 0.00 O ATOM 0 H GLY A 4 17.786 10.191 -14.741 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.694 9.732 -17.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.274 8.621 -16.282 1.00 0.00 H new ATOM 37 N SER A 5 15.139 9.106 -17.932 1.00 0.00 N ATOM 38 CA SER A 5 13.738 9.217 -18.321 1.00 0.00 C ATOM 39 C SER A 5 13.025 7.876 -18.174 1.00 0.00 C ATOM 40 O SER A 5 11.976 7.785 -17.537 1.00 0.00 O ATOM 41 CB SER A 5 13.626 9.711 -19.765 1.00 0.00 C ATOM 42 OG SER A 5 14.206 8.785 -20.667 1.00 0.00 O ATOM 0 H SER A 5 15.674 8.426 -18.472 1.00 0.00 H new ATOM 0 HA SER A 5 13.259 9.938 -17.659 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.577 9.864 -20.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.122 10.677 -19.862 1.00 0.00 H new ATOM 0 HG SER A 5 14.120 9.123 -21.583 1.00 0.00 H new ATOM 48 N SER A 6 13.604 6.837 -18.767 1.00 0.00 N ATOM 49 CA SER A 6 13.024 5.501 -18.706 1.00 0.00 C ATOM 50 C SER A 6 13.213 4.889 -17.322 1.00 0.00 C ATOM 51 O SER A 6 14.126 5.260 -16.586 1.00 0.00 O ATOM 52 CB SER A 6 13.658 4.597 -19.766 1.00 0.00 C ATOM 53 OG SER A 6 13.215 4.948 -21.066 1.00 0.00 O ATOM 0 H SER A 6 14.475 6.895 -19.295 1.00 0.00 H new ATOM 0 HA SER A 6 11.956 5.587 -18.904 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.744 4.677 -19.714 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.405 3.557 -19.560 1.00 0.00 H new ATOM 0 HG SER A 6 13.635 4.357 -21.725 1.00 0.00 H new ATOM 59 N GLY A 7 12.341 3.947 -16.973 1.00 0.00 N ATOM 60 CA GLY A 7 12.428 3.299 -15.678 1.00 0.00 C ATOM 61 C GLY A 7 11.121 2.648 -15.267 1.00 0.00 C ATOM 62 O GLY A 7 10.384 2.136 -16.108 1.00 0.00 O ATOM 0 H GLY A 7 11.576 3.622 -17.564 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.214 2.544 -15.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.717 4.033 -14.926 1.00 0.00 H new ATOM 66 N MET A 8 10.836 2.668 -13.969 1.00 0.00 N ATOM 67 CA MET A 8 9.609 2.075 -13.448 1.00 0.00 C ATOM 68 C MET A 8 8.512 3.126 -13.314 1.00 0.00 C ATOM 69 O MET A 8 7.885 3.251 -12.262 1.00 0.00 O ATOM 70 CB MET A 8 9.871 1.418 -12.092 1.00 0.00 C ATOM 71 CG MET A 8 10.943 0.341 -12.135 1.00 0.00 C ATOM 72 SD MET A 8 10.766 -0.869 -10.810 1.00 0.00 S ATOM 73 CE MET A 8 10.991 -2.398 -11.715 1.00 0.00 C ATOM 0 H MET A 8 11.437 3.088 -13.259 1.00 0.00 H new ATOM 0 HA MET A 8 9.274 1.314 -14.153 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.167 2.185 -11.377 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.943 0.981 -11.724 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.900 -0.170 -13.097 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.925 0.809 -12.066 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.399 -3.158 -11.049 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.030 -2.735 -12.105 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.681 -2.233 -12.543 1.00 0.00 H new ATOM 83 N ALA A 9 8.285 3.878 -14.385 1.00 0.00 N ATOM 84 CA ALA A 9 7.262 4.917 -14.387 1.00 0.00 C ATOM 85 C ALA A 9 5.865 4.311 -14.485 1.00 0.00 C ATOM 86 O ALA A 9 4.977 4.647 -13.704 1.00 0.00 O ATOM 87 CB ALA A 9 7.499 5.890 -15.531 1.00 0.00 C ATOM 0 H ALA A 9 8.796 3.788 -15.263 1.00 0.00 H new ATOM 0 HA ALA A 9 7.329 5.460 -13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.727 6.660 -15.520 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.478 6.355 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.462 5.353 -16.479 1.00 0.00 H new ATOM 93 N ALA A 10 5.680 3.418 -15.452 1.00 0.00 N ATOM 94 CA ALA A 10 4.392 2.766 -15.652 1.00 0.00 C ATOM 95 C ALA A 10 4.286 1.494 -14.817 1.00 0.00 C ATOM 96 O ALA A 10 3.650 0.523 -15.227 1.00 0.00 O ATOM 97 CB ALA A 10 4.182 2.452 -17.126 1.00 0.00 C ATOM 0 H ALA A 10 6.405 3.130 -16.109 1.00 0.00 H new ATOM 0 HA ALA A 10 3.610 3.451 -15.324 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.216 1.965 -17.260 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.205 3.377 -17.702 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.974 1.788 -17.473 1.00 0.00 H new ATOM 103 N SER A 11 4.913 1.506 -13.646 1.00 0.00 N ATOM 104 CA SER A 11 4.892 0.351 -12.756 1.00 0.00 C ATOM 105 C SER A 11 4.459 0.756 -11.350 1.00 0.00 C ATOM 106 O SER A 11 4.405 1.942 -11.022 1.00 0.00 O ATOM 107 CB SER A 11 6.273 -0.306 -12.706 1.00 0.00 C ATOM 108 OG SER A 11 6.589 -0.923 -13.942 1.00 0.00 O ATOM 0 H SER A 11 5.442 2.303 -13.291 1.00 0.00 H new ATOM 0 HA SER A 11 4.170 -0.365 -13.148 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.027 0.444 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.297 -1.049 -11.908 1.00 0.00 H new ATOM 0 HG SER A 11 7.477 -1.334 -13.885 1.00 0.00 H new ATOM 114 N LEU A 12 4.150 -0.238 -10.524 1.00 0.00 N ATOM 115 CA LEU A 12 3.721 0.013 -9.152 1.00 0.00 C ATOM 116 C LEU A 12 4.476 -0.881 -8.174 1.00 0.00 C ATOM 117 O LEU A 12 4.893 -1.985 -8.522 1.00 0.00 O ATOM 118 CB LEU A 12 2.215 -0.221 -9.018 1.00 0.00 C ATOM 119 CG LEU A 12 1.327 0.544 -9.998 1.00 0.00 C ATOM 120 CD1 LEU A 12 -0.048 -0.100 -10.089 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.207 2.003 -9.583 1.00 0.00 C ATOM 0 H LEU A 12 4.188 -1.225 -10.780 1.00 0.00 H new ATOM 0 HA LEU A 12 3.944 1.052 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.021 -1.287 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.915 0.044 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 12 1.790 0.504 -10.984 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.666 0.459 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.054 -1.129 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.519 -0.092 -9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.571 2.532 -10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.768 2.063 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.196 2.461 -9.571 1.00 0.00 H new ATOM 133 N TRP A 13 4.645 -0.397 -6.949 1.00 0.00 N ATOM 134 CA TRP A 13 5.348 -1.153 -5.919 1.00 0.00 C ATOM 135 C TRP A 13 4.370 -1.965 -5.077 1.00 0.00 C ATOM 136 O TRP A 13 3.344 -1.450 -4.633 1.00 0.00 O ATOM 137 CB TRP A 13 6.150 -0.209 -5.022 1.00 0.00 C ATOM 138 CG TRP A 13 6.549 -0.826 -3.716 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.760 -1.378 -3.406 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.735 -0.956 -2.545 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.747 -1.843 -2.113 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.517 -1.596 -1.563 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.423 -0.593 -2.230 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.027 -1.879 -0.291 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.939 -0.876 -0.967 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.739 -1.513 -0.010 1.00 0.00 C ATOM 0 H TRP A 13 4.305 0.515 -6.645 1.00 0.00 H new ATOM 0 HA TRP A 13 6.033 -1.842 -6.413 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.046 0.111 -5.553 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.558 0.686 -4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.603 -1.440 -4.078 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.527 -2.298 -1.639 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.798 -0.100 -2.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.642 -2.370 0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.926 -0.601 -0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.331 -1.719 0.969 1.00 0.00 H new ATOM 157 N MET A 14 4.694 -3.235 -4.860 1.00 0.00 N ATOM 158 CA MET A 14 3.843 -4.117 -4.070 1.00 0.00 C ATOM 159 C MET A 14 4.659 -4.857 -3.014 1.00 0.00 C ATOM 160 O MET A 14 5.302 -5.864 -3.307 1.00 0.00 O ATOM 161 CB MET A 14 3.131 -5.122 -4.977 1.00 0.00 C ATOM 162 CG MET A 14 2.051 -5.923 -4.267 1.00 0.00 C ATOM 163 SD MET A 14 1.382 -7.247 -5.291 1.00 0.00 S ATOM 164 CE MET A 14 -0.192 -7.534 -4.487 1.00 0.00 C ATOM 0 H MET A 14 5.540 -3.677 -5.220 1.00 0.00 H new ATOM 0 HA MET A 14 3.097 -3.504 -3.564 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.684 -4.589 -5.816 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.868 -5.809 -5.393 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.463 -6.349 -3.352 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.243 -5.254 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.726 -8.329 -5.007 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.023 -7.827 -3.451 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.786 -6.620 -4.513 1.00 0.00 H new ATOM 174 N GLY A 15 4.628 -4.349 -1.786 1.00 0.00 N ATOM 175 CA GLY A 15 5.370 -4.975 -0.706 1.00 0.00 C ATOM 176 C GLY A 15 4.502 -5.884 0.142 1.00 0.00 C ATOM 177 O GLY A 15 3.505 -6.425 -0.336 1.00 0.00 O ATOM 0 H GLY A 15 4.103 -3.516 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.196 -5.551 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.808 -4.202 -0.074 1.00 0.00 H new ATOM 181 N ASP A 16 4.883 -6.055 1.403 1.00 0.00 N ATOM 182 CA ASP A 16 4.133 -6.906 2.319 1.00 0.00 C ATOM 183 C ASP A 16 3.689 -8.191 1.627 1.00 0.00 C ATOM 184 O ASP A 16 2.520 -8.574 1.697 1.00 0.00 O ATOM 185 CB ASP A 16 2.916 -6.158 2.863 1.00 0.00 C ATOM 186 CG ASP A 16 2.001 -7.053 3.675 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.456 -7.587 4.708 1.00 0.00 O ATOM 188 OD2 ASP A 16 0.828 -7.219 3.278 1.00 0.00 O ATOM 0 H ASP A 16 5.707 -5.616 1.814 1.00 0.00 H new ATOM 0 HA ASP A 16 4.788 -7.170 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.252 -5.327 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.356 -5.729 2.032 1.00 0.00 H new ATOM 193 N LEU A 17 4.627 -8.852 0.959 1.00 0.00 N ATOM 194 CA LEU A 17 4.333 -10.094 0.253 1.00 0.00 C ATOM 195 C LEU A 17 4.806 -11.302 1.055 1.00 0.00 C ATOM 196 O LEU A 17 5.492 -11.157 2.067 1.00 0.00 O ATOM 197 CB LEU A 17 4.997 -10.090 -1.125 1.00 0.00 C ATOM 198 CG LEU A 17 4.655 -8.907 -2.031 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.469 -8.965 -3.314 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.166 -8.887 -2.343 1.00 0.00 C ATOM 0 H LEU A 17 5.598 -8.549 0.891 1.00 0.00 H new ATOM 0 HA LEU A 17 3.252 -10.165 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.078 -10.115 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.721 -11.009 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 17 4.908 -7.986 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.212 -8.115 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.531 -8.930 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.248 -9.892 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.941 -8.038 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.888 -9.812 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.601 -8.797 -1.415 1.00 0.00 H new ATOM 212 N GLU A 18 4.437 -12.493 0.595 1.00 0.00 N ATOM 213 CA GLU A 18 4.826 -13.726 1.270 1.00 0.00 C ATOM 214 C GLU A 18 5.917 -14.453 0.488 1.00 0.00 C ATOM 215 O GLU A 18 6.099 -14.247 -0.712 1.00 0.00 O ATOM 216 CB GLU A 18 3.613 -14.642 1.445 1.00 0.00 C ATOM 217 CG GLU A 18 2.766 -14.305 2.661 1.00 0.00 C ATOM 218 CD GLU A 18 3.378 -14.806 3.955 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.223 -16.008 4.257 1.00 0.00 O ATOM 220 OE2 GLU A 18 4.011 -13.997 4.665 1.00 0.00 O ATOM 0 H GLU A 18 3.870 -12.631 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 18 5.219 -13.464 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.991 -14.582 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.956 -15.673 1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.635 -13.224 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.774 -14.740 2.540 1.00 0.00 H new ATOM 227 N PRO A 19 6.662 -15.324 1.185 1.00 0.00 N ATOM 228 CA PRO A 19 7.748 -16.099 0.578 1.00 0.00 C ATOM 229 C PRO A 19 7.233 -17.161 -0.388 1.00 0.00 C ATOM 230 O PRO A 19 7.943 -17.580 -1.302 1.00 0.00 O ATOM 231 CB PRO A 19 8.431 -16.756 1.780 1.00 0.00 C ATOM 232 CG PRO A 19 7.370 -16.830 2.824 1.00 0.00 C ATOM 233 CD PRO A 19 6.501 -15.620 2.618 1.00 0.00 C ATOM 0 HA PRO A 19 8.412 -15.472 -0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.809 -17.747 1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.283 -16.168 2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.790 -17.748 2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.805 -16.832 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.461 -15.825 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.822 -14.784 3.239 1.00 0.00 H new ATOM 241 N TYR A 20 5.994 -17.592 -0.179 1.00 0.00 N ATOM 242 CA TYR A 20 5.384 -18.607 -1.031 1.00 0.00 C ATOM 243 C TYR A 20 4.814 -17.982 -2.300 1.00 0.00 C ATOM 244 O TYR A 20 4.583 -18.671 -3.294 1.00 0.00 O ATOM 245 CB TYR A 20 4.280 -19.344 -0.271 1.00 0.00 C ATOM 246 CG TYR A 20 3.158 -18.442 0.191 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.307 -17.835 -0.723 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.947 -18.199 1.543 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.280 -17.010 -0.306 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.923 -17.377 1.970 1.00 0.00 C ATOM 251 CZ TYR A 20 1.092 -16.784 1.042 1.00 0.00 C ATOM 252 OH TYR A 20 0.070 -15.964 1.462 1.00 0.00 O ATOM 0 H TYR A 20 5.392 -17.255 0.572 1.00 0.00 H new ATOM 0 HA TYR A 20 6.158 -19.320 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.868 -20.124 -0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.716 -19.841 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.450 -18.011 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.595 -18.661 2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.628 -16.545 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.773 -17.199 3.025 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.081 -16.095 2.421 1.00 0.00 H new ATOM 262 N MET A 21 4.589 -16.673 -2.258 1.00 0.00 N ATOM 263 CA MET A 21 4.048 -15.954 -3.405 1.00 0.00 C ATOM 264 C MET A 21 5.103 -15.796 -4.495 1.00 0.00 C ATOM 265 O MET A 21 6.255 -15.466 -4.214 1.00 0.00 O ATOM 266 CB MET A 21 3.531 -14.580 -2.975 1.00 0.00 C ATOM 267 CG MET A 21 2.256 -14.640 -2.151 1.00 0.00 C ATOM 268 SD MET A 21 1.649 -13.006 -1.689 1.00 0.00 S ATOM 269 CE MET A 21 0.218 -13.443 -0.704 1.00 0.00 C ATOM 0 H MET A 21 4.773 -16.089 -1.442 1.00 0.00 H new ATOM 0 HA MET A 21 3.219 -16.536 -3.809 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.304 -14.075 -2.396 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.351 -13.974 -3.863 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.486 -15.162 -2.718 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.438 -15.224 -1.249 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.665 -12.944 -1.103 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.070 -14.522 -0.736 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.377 -13.129 0.328 1.00 0.00 H new ATOM 279 N ASP A 22 4.702 -16.032 -5.740 1.00 0.00 N ATOM 280 CA ASP A 22 5.613 -15.915 -6.872 1.00 0.00 C ATOM 281 C ASP A 22 4.970 -15.124 -8.007 1.00 0.00 C ATOM 282 O ASP A 22 3.765 -14.878 -7.999 1.00 0.00 O ATOM 283 CB ASP A 22 6.024 -17.302 -7.369 1.00 0.00 C ATOM 284 CG ASP A 22 6.056 -18.330 -6.256 1.00 0.00 C ATOM 285 OD1 ASP A 22 6.673 -18.050 -5.206 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.463 -19.415 -6.433 1.00 0.00 O ATOM 0 H ASP A 22 3.752 -16.305 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 22 6.502 -15.380 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.328 -17.629 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.009 -17.242 -7.832 1.00 0.00 H new ATOM 291 N GLU A 23 5.784 -14.728 -8.981 1.00 0.00 N ATOM 292 CA GLU A 23 5.294 -13.963 -10.121 1.00 0.00 C ATOM 293 C GLU A 23 3.880 -14.394 -10.498 1.00 0.00 C ATOM 294 O GLU A 23 3.046 -13.568 -10.869 1.00 0.00 O ATOM 295 CB GLU A 23 6.229 -14.137 -11.320 1.00 0.00 C ATOM 296 CG GLU A 23 7.552 -13.404 -11.172 1.00 0.00 C ATOM 297 CD GLU A 23 8.497 -13.667 -12.329 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.008 -13.838 -13.465 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.723 -13.701 -12.097 1.00 0.00 O ATOM 0 H GLU A 23 6.785 -14.924 -9.003 1.00 0.00 H new ATOM 0 HA GLU A 23 5.271 -12.911 -9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.426 -15.199 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.724 -13.781 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.363 -12.333 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.030 -13.709 -10.241 1.00 0.00 H new ATOM 306 N ASN A 24 3.618 -15.693 -10.401 1.00 0.00 N ATOM 307 CA ASN A 24 2.305 -16.235 -10.733 1.00 0.00 C ATOM 308 C ASN A 24 1.250 -15.751 -9.742 1.00 0.00 C ATOM 309 O ASN A 24 0.226 -15.191 -10.133 1.00 0.00 O ATOM 310 CB ASN A 24 2.349 -17.764 -10.741 1.00 0.00 C ATOM 311 CG ASN A 24 3.575 -18.304 -11.453 1.00 0.00 C ATOM 312 OD1 ASN A 24 4.697 -18.172 -10.965 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.364 -18.915 -12.613 1.00 0.00 N ATOM 0 H ASN A 24 4.297 -16.390 -10.095 1.00 0.00 H new ATOM 0 HA ASN A 24 2.034 -15.880 -11.727 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.338 -18.130 -9.714 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.452 -18.148 -11.226 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.150 -19.298 -13.138 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.416 -19.001 -12.979 1.00 0.00 H new ATOM 320 N PHE A 25 1.509 -15.970 -8.457 1.00 0.00 N ATOM 321 CA PHE A 25 0.582 -15.557 -7.410 1.00 0.00 C ATOM 322 C PHE A 25 0.221 -14.081 -7.554 1.00 0.00 C ATOM 323 O PHE A 25 -0.943 -13.734 -7.756 1.00 0.00 O ATOM 324 CB PHE A 25 1.193 -15.811 -6.030 1.00 0.00 C ATOM 325 CG PHE A 25 0.243 -15.546 -4.896 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.007 -14.251 -4.473 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.398 -16.593 -4.254 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.880 -14.004 -3.430 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.273 -16.352 -3.211 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.513 -15.056 -2.798 1.00 0.00 C ATOM 0 H PHE A 25 2.353 -16.431 -8.116 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.329 -16.147 -7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.531 -16.846 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.074 -15.181 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.486 -13.425 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.212 -17.608 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.067 -12.990 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.768 -17.176 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.195 -14.866 -1.982 1.00 0.00 H new ATOM 340 N ILE A 26 1.226 -13.219 -7.449 1.00 0.00 N ATOM 341 CA ILE A 26 1.015 -11.782 -7.569 1.00 0.00 C ATOM 342 C ILE A 26 0.079 -11.458 -8.728 1.00 0.00 C ATOM 343 O ILE A 26 -0.882 -10.706 -8.572 1.00 0.00 O ATOM 344 CB ILE A 26 2.345 -11.032 -7.773 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.273 -11.261 -6.578 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.090 -9.546 -7.975 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.716 -10.740 -5.272 1.00 0.00 C ATOM 0 H ILE A 26 2.195 -13.491 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 26 0.561 -11.452 -6.635 1.00 0.00 H new ATOM 0 HB ILE A 26 2.831 -11.422 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.469 -12.329 -6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.230 -10.778 -6.774 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.039 -9.030 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.462 -9.401 -8.854 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.585 -9.141 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.427 -10.937 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.546 -9.666 -5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.773 -11.241 -5.053 1.00 0.00 H new ATOM 359 N SER A 27 0.366 -12.034 -9.892 1.00 0.00 N ATOM 360 CA SER A 27 -0.449 -11.806 -11.079 1.00 0.00 C ATOM 361 C SER A 27 -1.901 -12.199 -10.825 1.00 0.00 C ATOM 362 O SER A 27 -2.825 -11.477 -11.200 1.00 0.00 O ATOM 363 CB SER A 27 0.106 -12.598 -12.264 1.00 0.00 C ATOM 364 OG SER A 27 -0.691 -12.410 -13.421 1.00 0.00 O ATOM 0 H SER A 27 1.157 -12.662 -10.038 1.00 0.00 H new ATOM 0 HA SER A 27 -0.415 -10.742 -11.314 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.129 -12.283 -12.468 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.143 -13.658 -12.012 1.00 0.00 H new ATOM 0 HG SER A 27 -0.315 -12.925 -14.165 1.00 0.00 H new ATOM 370 N ARG A 28 -2.093 -13.348 -10.187 1.00 0.00 N ATOM 371 CA ARG A 28 -3.432 -13.839 -9.883 1.00 0.00 C ATOM 372 C ARG A 28 -4.206 -12.826 -9.046 1.00 0.00 C ATOM 373 O ARG A 28 -5.391 -12.589 -9.279 1.00 0.00 O ATOM 374 CB ARG A 28 -3.352 -15.175 -9.142 1.00 0.00 C ATOM 375 CG ARG A 28 -3.302 -16.382 -10.065 1.00 0.00 C ATOM 376 CD ARG A 28 -3.938 -17.603 -9.419 1.00 0.00 C ATOM 377 NE ARG A 28 -3.679 -18.822 -10.181 1.00 0.00 N ATOM 378 CZ ARG A 28 -4.228 -19.998 -9.896 1.00 0.00 C ATOM 379 NH1 ARG A 28 -5.062 -20.113 -8.872 1.00 0.00 N ATOM 380 NH2 ARG A 28 -3.943 -21.061 -10.637 1.00 0.00 N ATOM 0 H ARG A 28 -1.338 -13.957 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.961 -13.985 -10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.466 -15.176 -8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.215 -15.268 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.819 -16.151 -10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.266 -16.603 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.552 -17.720 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.014 -17.450 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.042 -18.767 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.284 -19.298 -8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.482 -21.017 -8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.302 -20.976 -11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.365 -21.963 -10.418 1.00 0.00 H new ATOM 394 N ALA A 29 -3.528 -12.231 -8.070 1.00 0.00 N ATOM 395 CA ALA A 29 -4.151 -11.242 -7.199 1.00 0.00 C ATOM 396 C ALA A 29 -4.789 -10.120 -8.011 1.00 0.00 C ATOM 397 O ALA A 29 -5.998 -9.899 -7.939 1.00 0.00 O ATOM 398 CB ALA A 29 -3.127 -10.676 -6.226 1.00 0.00 C ATOM 0 H ALA A 29 -2.547 -12.417 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.939 -11.738 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.606 -9.939 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.721 -11.482 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.320 -10.201 -6.783 1.00 0.00 H new ATOM 404 N PHE A 30 -3.969 -9.413 -8.781 1.00 0.00 N ATOM 405 CA PHE A 30 -4.453 -8.312 -9.605 1.00 0.00 C ATOM 406 C PHE A 30 -5.610 -8.764 -10.492 1.00 0.00 C ATOM 407 O PHE A 30 -6.681 -8.158 -10.491 1.00 0.00 O ATOM 408 CB PHE A 30 -3.320 -7.757 -10.470 1.00 0.00 C ATOM 409 CG PHE A 30 -2.376 -6.862 -9.719 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.679 -5.525 -9.520 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.185 -7.358 -9.213 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.812 -4.699 -8.830 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.314 -6.537 -8.521 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.628 -5.206 -8.329 1.00 0.00 C ATOM 0 H PHE A 30 -2.966 -9.583 -8.852 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.812 -7.526 -8.941 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.758 -8.588 -10.896 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.749 -7.201 -11.304 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.603 -5.124 -9.908 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.934 -8.398 -9.361 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.060 -3.658 -8.682 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.611 -6.936 -8.131 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.050 -4.563 -7.788 1.00 0.00 H new ATOM 424 N ALA A 31 -5.385 -9.834 -11.247 1.00 0.00 N ATOM 425 CA ALA A 31 -6.408 -10.369 -12.138 1.00 0.00 C ATOM 426 C ALA A 31 -7.717 -10.605 -11.391 1.00 0.00 C ATOM 427 O ALA A 31 -8.789 -10.223 -11.861 1.00 0.00 O ATOM 428 CB ALA A 31 -5.925 -11.661 -12.781 1.00 0.00 C ATOM 0 H ALA A 31 -4.504 -10.348 -11.260 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.594 -9.634 -12.921 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.699 -12.049 -13.443 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.020 -11.465 -13.356 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.710 -12.395 -12.005 1.00 0.00 H new ATOM 434 N THR A 32 -7.622 -11.237 -10.226 1.00 0.00 N ATOM 435 CA THR A 32 -8.799 -11.526 -9.415 1.00 0.00 C ATOM 436 C THR A 32 -9.601 -10.259 -9.140 1.00 0.00 C ATOM 437 O THR A 32 -10.821 -10.239 -9.300 1.00 0.00 O ATOM 438 CB THR A 32 -8.411 -12.175 -8.073 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.723 -13.409 -8.307 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.644 -12.430 -7.219 1.00 0.00 C ATOM 0 H THR A 32 -6.742 -11.559 -9.822 1.00 0.00 H new ATOM 0 HA THR A 32 -9.412 -12.225 -9.985 1.00 0.00 H new ATOM 0 HB THR A 32 -7.754 -11.489 -7.539 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.775 -13.228 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.345 -12.889 -6.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.150 -11.485 -7.019 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.322 -13.099 -7.749 1.00 0.00 H new ATOM 448 N MET A 33 -8.908 -9.203 -8.727 1.00 0.00 N ATOM 449 CA MET A 33 -9.557 -7.931 -8.432 1.00 0.00 C ATOM 450 C MET A 33 -10.137 -7.310 -9.699 1.00 0.00 C ATOM 451 O MET A 33 -10.913 -6.357 -9.636 1.00 0.00 O ATOM 452 CB MET A 33 -8.563 -6.964 -7.786 1.00 0.00 C ATOM 453 CG MET A 33 -8.462 -7.116 -6.276 1.00 0.00 C ATOM 454 SD MET A 33 -10.036 -6.832 -5.443 1.00 0.00 S ATOM 455 CE MET A 33 -9.561 -5.596 -4.236 1.00 0.00 C ATOM 0 H MET A 33 -7.897 -9.203 -8.589 1.00 0.00 H new ATOM 0 HA MET A 33 -10.373 -8.121 -7.735 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.578 -7.121 -8.226 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.858 -5.941 -8.021 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.105 -8.118 -6.039 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.721 -6.415 -5.893 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.443 -5.264 -3.688 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.841 -6.026 -3.539 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.109 -4.745 -4.745 1.00 0.00 H new ATOM 465 N GLY A 34 -9.755 -7.856 -10.850 1.00 0.00 N ATOM 466 CA GLY A 34 -10.247 -7.342 -12.115 1.00 0.00 C ATOM 467 C GLY A 34 -9.253 -6.419 -12.791 1.00 0.00 C ATOM 468 O GLY A 34 -9.642 -5.474 -13.476 1.00 0.00 O ATOM 0 H GLY A 34 -9.114 -8.645 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.474 -8.176 -12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.181 -6.805 -11.947 1.00 0.00 H new ATOM 472 N GLU A 35 -7.966 -6.693 -12.597 1.00 0.00 N ATOM 473 CA GLU A 35 -6.914 -5.877 -13.192 1.00 0.00 C ATOM 474 C GLU A 35 -5.982 -6.730 -14.047 1.00 0.00 C ATOM 475 O GLU A 35 -5.564 -7.814 -13.639 1.00 0.00 O ATOM 476 CB GLU A 35 -6.113 -5.163 -12.101 1.00 0.00 C ATOM 477 CG GLU A 35 -6.669 -3.798 -11.732 1.00 0.00 C ATOM 478 CD GLU A 35 -7.055 -2.977 -12.947 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.332 -3.044 -13.963 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.081 -2.268 -12.882 1.00 0.00 O ATOM 0 H GLU A 35 -7.628 -7.473 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.386 -5.132 -13.832 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.091 -5.790 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.082 -5.048 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.542 -3.926 -11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.926 -3.252 -11.151 1.00 0.00 H new ATOM 487 N THR A 36 -5.661 -6.233 -15.238 1.00 0.00 N ATOM 488 CA THR A 36 -4.780 -6.949 -16.152 1.00 0.00 C ATOM 489 C THR A 36 -3.331 -6.511 -15.976 1.00 0.00 C ATOM 490 O THR A 36 -2.900 -5.510 -16.548 1.00 0.00 O ATOM 491 CB THR A 36 -5.196 -6.731 -17.619 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.542 -7.176 -17.818 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.265 -7.478 -18.562 1.00 0.00 C ATOM 0 H THR A 36 -5.998 -5.338 -15.592 1.00 0.00 H new ATOM 0 HA THR A 36 -4.868 -8.008 -15.911 1.00 0.00 H new ATOM 0 HB THR A 36 -5.130 -5.665 -17.838 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.799 -7.032 -18.753 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.578 -7.309 -19.592 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.245 -7.116 -18.429 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.303 -8.545 -18.341 1.00 0.00 H new ATOM 501 N VAL A 37 -2.581 -7.268 -15.180 1.00 0.00 N ATOM 502 CA VAL A 37 -1.178 -6.958 -14.930 1.00 0.00 C ATOM 503 C VAL A 37 -0.327 -7.231 -16.165 1.00 0.00 C ATOM 504 O VAL A 37 -0.558 -8.199 -16.889 1.00 0.00 O ATOM 505 CB VAL A 37 -0.626 -7.776 -13.748 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.352 -9.211 -14.172 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.633 -7.126 -13.193 1.00 0.00 C ATOM 0 H VAL A 37 -2.922 -8.100 -14.698 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.126 -5.897 -14.684 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.378 -7.793 -12.959 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.038 -9.773 -13.323 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.278 -9.671 -14.518 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.381 -9.218 -14.979 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.010 -7.717 -12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.392 -7.076 -13.974 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.401 -6.118 -12.848 1.00 0.00 H new ATOM 517 N MET A 38 0.659 -6.371 -16.398 1.00 0.00 N ATOM 518 CA MET A 38 1.548 -6.521 -17.545 1.00 0.00 C ATOM 519 C MET A 38 2.698 -7.469 -17.222 1.00 0.00 C ATOM 520 O MET A 38 2.997 -8.382 -17.991 1.00 0.00 O ATOM 521 CB MET A 38 2.099 -5.159 -17.972 1.00 0.00 C ATOM 522 CG MET A 38 1.034 -4.211 -18.501 1.00 0.00 C ATOM 523 SD MET A 38 0.412 -4.701 -20.121 1.00 0.00 S ATOM 524 CE MET A 38 -1.356 -4.639 -19.837 1.00 0.00 C ATOM 0 H MET A 38 0.863 -5.564 -15.809 1.00 0.00 H new ATOM 0 HA MET A 38 0.971 -6.945 -18.367 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.597 -4.695 -17.121 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.856 -5.308 -18.742 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.205 -4.171 -17.794 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.448 -3.205 -18.564 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.881 -4.918 -20.751 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.621 -5.334 -19.040 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.643 -3.628 -19.548 1.00 0.00 H new ATOM 534 N SER A 39 3.340 -7.246 -16.080 1.00 0.00 N ATOM 535 CA SER A 39 4.460 -8.079 -15.657 1.00 0.00 C ATOM 536 C SER A 39 4.689 -7.959 -14.153 1.00 0.00 C ATOM 537 O SER A 39 4.139 -7.073 -13.499 1.00 0.00 O ATOM 538 CB SER A 39 5.731 -7.682 -16.411 1.00 0.00 C ATOM 539 OG SER A 39 6.321 -6.526 -15.842 1.00 0.00 O ATOM 0 H SER A 39 3.104 -6.495 -15.431 1.00 0.00 H new ATOM 0 HA SER A 39 4.217 -9.116 -15.888 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.444 -8.507 -16.388 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.493 -7.495 -17.458 1.00 0.00 H new ATOM 0 HG SER A 39 7.132 -6.294 -16.340 1.00 0.00 H new ATOM 545 N VAL A 40 5.505 -8.858 -13.612 1.00 0.00 N ATOM 546 CA VAL A 40 5.808 -8.854 -12.186 1.00 0.00 C ATOM 547 C VAL A 40 7.234 -9.328 -11.926 1.00 0.00 C ATOM 548 O VAL A 40 7.664 -10.355 -12.452 1.00 0.00 O ATOM 549 CB VAL A 40 4.831 -9.749 -11.401 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.517 -11.014 -12.186 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.401 -10.088 -10.033 1.00 0.00 C ATOM 0 H VAL A 40 5.968 -9.598 -14.140 1.00 0.00 H new ATOM 0 HA VAL A 40 5.701 -7.825 -11.843 1.00 0.00 H new ATOM 0 HB VAL A 40 3.900 -9.201 -11.255 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.825 -11.634 -11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.063 -10.747 -13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.438 -11.569 -12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.697 -10.721 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.346 -10.617 -10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.569 -9.169 -9.471 1.00 0.00 H new ATOM 561 N LYS A 41 7.963 -8.574 -11.111 1.00 0.00 N ATOM 562 CA LYS A 41 9.341 -8.916 -10.779 1.00 0.00 C ATOM 563 C LYS A 41 9.505 -9.114 -9.275 1.00 0.00 C ATOM 564 O LYS A 41 9.217 -8.213 -8.486 1.00 0.00 O ATOM 565 CB LYS A 41 10.292 -7.821 -11.266 1.00 0.00 C ATOM 566 CG LYS A 41 11.739 -8.272 -11.364 1.00 0.00 C ATOM 567 CD LYS A 41 12.043 -8.882 -12.722 1.00 0.00 C ATOM 568 CE LYS A 41 13.234 -9.825 -12.655 1.00 0.00 C ATOM 569 NZ LYS A 41 13.947 -9.911 -13.960 1.00 0.00 N ATOM 0 H LYS A 41 7.622 -7.721 -10.668 1.00 0.00 H new ATOM 0 HA LYS A 41 9.587 -9.852 -11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.961 -7.473 -12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.231 -6.970 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.398 -7.422 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.947 -9.002 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.169 -9.424 -13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.246 -8.089 -13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.926 -9.483 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.895 -10.818 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.752 -10.563 -13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.294 -10.262 -14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.293 -8.968 -14.229 1.00 0.00 H new ATOM 583 N ILE A 42 9.969 -10.296 -8.885 1.00 0.00 N ATOM 584 CA ILE A 42 10.173 -10.610 -7.477 1.00 0.00 C ATOM 585 C ILE A 42 11.610 -10.325 -7.053 1.00 0.00 C ATOM 586 O ILE A 42 12.556 -10.854 -7.638 1.00 0.00 O ATOM 587 CB ILE A 42 9.842 -12.083 -7.174 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.447 -12.433 -7.697 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.936 -12.351 -5.679 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.331 -11.721 -6.965 1.00 0.00 C ATOM 0 H ILE A 42 10.211 -11.052 -9.525 1.00 0.00 H new ATOM 0 HA ILE A 42 9.496 -9.971 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 42 10.570 -12.715 -7.683 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.392 -12.184 -8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.296 -13.509 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.699 -13.396 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.947 -12.136 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.229 -11.712 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.371 -12.017 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.360 -11.989 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.457 -10.643 -7.069 1.00 0.00 H new ATOM 602 N ILE A 43 11.765 -9.489 -6.032 1.00 0.00 N ATOM 603 CA ILE A 43 13.087 -9.138 -5.528 1.00 0.00 C ATOM 604 C ILE A 43 13.565 -10.145 -4.488 1.00 0.00 C ATOM 605 O ILE A 43 13.083 -10.160 -3.356 1.00 0.00 O ATOM 606 CB ILE A 43 13.095 -7.730 -4.903 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.610 -6.694 -5.920 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.489 -7.379 -4.405 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.292 -6.804 -7.266 1.00 0.00 C ATOM 0 H ILE A 43 10.992 -9.042 -5.538 1.00 0.00 H new ATOM 0 HA ILE A 43 13.764 -9.153 -6.382 1.00 0.00 H new ATOM 0 HB ILE A 43 12.414 -7.723 -4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.534 -6.806 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.778 -5.695 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.478 -6.381 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.799 -8.103 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.190 -7.401 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.899 -6.039 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.366 -6.662 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.103 -7.790 -7.690 1.00 0.00 H new ATOM 621 N ARG A 44 14.517 -10.985 -4.881 1.00 0.00 N ATOM 622 CA ARG A 44 15.062 -11.997 -3.982 1.00 0.00 C ATOM 623 C ARG A 44 16.569 -11.825 -3.821 1.00 0.00 C ATOM 624 O ARG A 44 17.227 -11.207 -4.657 1.00 0.00 O ATOM 625 CB ARG A 44 14.751 -13.399 -4.510 1.00 0.00 C ATOM 626 CG ARG A 44 13.299 -13.588 -4.918 1.00 0.00 C ATOM 627 CD ARG A 44 13.003 -15.037 -5.271 1.00 0.00 C ATOM 628 NE ARG A 44 11.602 -15.380 -5.046 1.00 0.00 N ATOM 629 CZ ARG A 44 11.079 -16.566 -5.339 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.839 -17.517 -5.863 1.00 0.00 N ATOM 631 NH2 ARG A 44 9.795 -16.802 -5.105 1.00 0.00 N ATOM 0 H ARG A 44 14.927 -10.985 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 44 14.593 -11.872 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.390 -13.605 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.002 -14.131 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.647 -13.270 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.075 -12.951 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.256 -15.214 -6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.637 -15.692 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 44 10.991 -14.670 -4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.827 -17.339 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.436 -18.427 -6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.208 -16.073 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.395 -17.713 -5.330 1.00 0.00 H new ATOM 645 N ASN A 45 17.110 -12.378 -2.739 1.00 0.00 N ATOM 646 CA ASN A 45 18.540 -12.285 -2.467 1.00 0.00 C ATOM 647 C ASN A 45 19.312 -13.342 -3.250 1.00 0.00 C ATOM 648 O ASN A 45 18.746 -14.346 -3.682 1.00 0.00 O ATOM 649 CB ASN A 45 18.807 -12.447 -0.970 1.00 0.00 C ATOM 650 CG ASN A 45 20.037 -11.686 -0.516 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.773 -11.131 -1.332 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.266 -11.658 0.792 1.00 0.00 N ATOM 0 H ASN A 45 16.580 -12.895 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 45 18.882 -11.300 -2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.940 -12.098 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.932 -13.505 -0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.079 -11.162 1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.629 -12.132 1.432 1.00 0.00 H new ATOM 659 N ARG A 46 20.608 -13.109 -3.429 1.00 0.00 N ATOM 660 CA ARG A 46 21.458 -14.040 -4.161 1.00 0.00 C ATOM 661 C ARG A 46 22.179 -14.985 -3.203 1.00 0.00 C ATOM 662 O ARG A 46 22.756 -15.989 -3.623 1.00 0.00 O ATOM 663 CB ARG A 46 22.480 -13.276 -5.005 1.00 0.00 C ATOM 664 CG ARG A 46 23.484 -12.488 -4.180 1.00 0.00 C ATOM 665 CD ARG A 46 24.356 -11.605 -5.059 1.00 0.00 C ATOM 666 NE ARG A 46 23.756 -10.293 -5.283 1.00 0.00 N ATOM 667 CZ ARG A 46 24.138 -9.465 -6.250 1.00 0.00 C ATOM 668 NH1 ARG A 46 25.113 -9.813 -7.078 1.00 0.00 N ATOM 669 NH2 ARG A 46 23.543 -8.287 -6.390 1.00 0.00 N ATOM 0 H ARG A 46 21.092 -12.283 -3.077 1.00 0.00 H new ATOM 0 HA ARG A 46 20.823 -14.632 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 46 23.017 -13.983 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.952 -12.592 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.955 -11.871 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 46 24.113 -13.176 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.333 -11.482 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.520 -12.097 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 46 23.002 -9.995 -4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 46 25.572 -10.718 -6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 46 25.404 -9.176 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 46 22.792 -8.016 -5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.837 -7.652 -7.132 1.00 0.00 H new ATOM 683 N LEU A 47 22.141 -14.657 -1.917 1.00 0.00 N ATOM 684 CA LEU A 47 22.790 -15.476 -0.899 1.00 0.00 C ATOM 685 C LEU A 47 21.773 -16.348 -0.171 1.00 0.00 C ATOM 686 O LEU A 47 22.039 -17.512 0.132 1.00 0.00 O ATOM 687 CB LEU A 47 23.528 -14.588 0.104 1.00 0.00 C ATOM 688 CG LEU A 47 24.869 -14.019 -0.362 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.282 -12.844 0.510 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.940 -15.100 -0.347 1.00 0.00 C ATOM 0 H LEU A 47 21.668 -13.830 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 47 23.509 -16.127 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.876 -13.756 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.697 -15.165 1.013 1.00 0.00 H new ATOM 0 HG LEU A 47 24.755 -13.662 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.238 -12.452 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.526 -12.062 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.379 -13.175 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.888 -14.678 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 47 26.052 -15.487 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.648 -15.911 -1.015 1.00 0.00 H new ATOM 702 N THR A 48 20.603 -15.779 0.106 1.00 0.00 N ATOM 703 CA THR A 48 19.545 -16.505 0.797 1.00 0.00 C ATOM 704 C THR A 48 18.487 -17.000 -0.183 1.00 0.00 C ATOM 705 O THR A 48 17.920 -18.077 -0.006 1.00 0.00 O ATOM 706 CB THR A 48 18.868 -15.626 1.866 1.00 0.00 C ATOM 707 OG1 THR A 48 18.242 -14.497 1.247 1.00 0.00 O ATOM 708 CG2 THR A 48 19.880 -15.150 2.896 1.00 0.00 C ATOM 0 H THR A 48 20.365 -14.818 -0.138 1.00 0.00 H new ATOM 0 HA THR A 48 20.013 -17.361 1.283 1.00 0.00 H new ATOM 0 HB THR A 48 18.113 -16.227 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.813 -13.944 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.378 -14.531 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.333 -16.012 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.655 -14.565 2.401 1.00 0.00 H new ATOM 716 N GLY A 49 18.227 -16.205 -1.217 1.00 0.00 N ATOM 717 CA GLY A 49 17.238 -16.581 -2.210 1.00 0.00 C ATOM 718 C GLY A 49 15.829 -16.206 -1.795 1.00 0.00 C ATOM 719 O GLY A 49 14.882 -16.380 -2.563 1.00 0.00 O ATOM 0 H GLY A 49 18.683 -15.308 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.476 -16.096 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.289 -17.656 -2.381 1.00 0.00 H new ATOM 723 N ILE A 50 15.689 -15.691 -0.578 1.00 0.00 N ATOM 724 CA ILE A 50 14.385 -15.292 -0.063 1.00 0.00 C ATOM 725 C ILE A 50 13.962 -13.940 -0.627 1.00 0.00 C ATOM 726 O ILE A 50 14.761 -13.009 -0.740 1.00 0.00 O ATOM 727 CB ILE A 50 14.386 -15.216 1.475 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.740 -16.579 2.074 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.033 -14.743 1.983 1.00 0.00 C ATOM 730 CD1 ILE A 50 14.894 -16.557 3.579 1.00 0.00 C ATOM 0 H ILE A 50 16.463 -15.540 0.070 1.00 0.00 H new ATOM 0 HA ILE A 50 13.674 -16.055 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 50 15.141 -14.495 1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.964 -17.297 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.669 -16.933 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.050 -14.695 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.818 -13.754 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.260 -15.441 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.145 -17.557 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.690 -15.864 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.959 -16.234 4.036 1.00 0.00 H new ATOM 742 N PRO A 51 12.676 -13.825 -0.988 1.00 0.00 N ATOM 743 CA PRO A 51 12.116 -12.590 -1.544 1.00 0.00 C ATOM 744 C PRO A 51 12.025 -11.476 -0.506 1.00 0.00 C ATOM 745 O PRO A 51 11.325 -11.606 0.497 1.00 0.00 O ATOM 746 CB PRO A 51 10.717 -13.009 -2.003 1.00 0.00 C ATOM 747 CG PRO A 51 10.372 -14.178 -1.147 1.00 0.00 C ATOM 748 CD PRO A 51 11.668 -14.894 -0.881 1.00 0.00 C ATOM 0 HA PRO A 51 12.737 -12.184 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.999 -12.199 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.711 -13.276 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.906 -13.856 -0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.660 -14.833 -1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.676 -15.357 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.845 -15.688 -1.607 1.00 0.00 H new ATOM 756 N ALA A 52 12.738 -10.382 -0.755 1.00 0.00 N ATOM 757 CA ALA A 52 12.735 -9.245 0.157 1.00 0.00 C ATOM 758 C ALA A 52 11.354 -9.036 0.769 1.00 0.00 C ATOM 759 O ALA A 52 11.229 -8.541 1.889 1.00 0.00 O ATOM 760 CB ALA A 52 13.189 -7.987 -0.567 1.00 0.00 C ATOM 0 H ALA A 52 13.325 -10.259 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 52 13.434 -9.458 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.182 -7.146 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.199 -8.132 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.512 -7.780 -1.396 1.00 0.00 H new ATOM 766 N GLY A 53 10.319 -9.416 0.027 1.00 0.00 N ATOM 767 CA GLY A 53 8.960 -9.261 0.514 1.00 0.00 C ATOM 768 C GLY A 53 8.153 -8.287 -0.321 1.00 0.00 C ATOM 769 O GLY A 53 7.047 -7.902 0.059 1.00 0.00 O ATOM 0 H GLY A 53 10.397 -9.828 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.464 -10.232 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.985 -8.915 1.547 1.00 0.00 H new ATOM 773 N TYR A 54 8.707 -7.886 -1.459 1.00 0.00 N ATOM 774 CA TYR A 54 8.032 -6.947 -2.348 1.00 0.00 C ATOM 775 C TYR A 54 8.350 -7.255 -3.808 1.00 0.00 C ATOM 776 O TYR A 54 9.384 -7.847 -4.119 1.00 0.00 O ATOM 777 CB TYR A 54 8.446 -5.512 -2.016 1.00 0.00 C ATOM 778 CG TYR A 54 9.888 -5.205 -2.351 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.244 -4.728 -3.606 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.894 -5.390 -1.410 1.00 0.00 C ATOM 781 CE1 TYR A 54 11.561 -4.447 -3.916 1.00 0.00 C ATOM 782 CE2 TYR A 54 12.213 -5.110 -1.711 1.00 0.00 C ATOM 783 CZ TYR A 54 12.541 -4.639 -2.965 1.00 0.00 C ATOM 784 OH TYR A 54 13.854 -4.358 -3.269 1.00 0.00 O ATOM 0 H TYR A 54 9.621 -8.196 -1.788 1.00 0.00 H new ATOM 0 HA TYR A 54 6.957 -7.052 -2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.801 -4.822 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.282 -5.332 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.479 -4.574 -4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.640 -5.759 -0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.821 -4.079 -4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.983 -5.259 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 54 14.418 -4.546 -2.490 1.00 0.00 H new ATOM 794 N CYS A 55 7.453 -6.849 -4.700 1.00 0.00 N ATOM 795 CA CYS A 55 7.636 -7.081 -6.128 1.00 0.00 C ATOM 796 C CYS A 55 7.114 -5.901 -6.942 1.00 0.00 C ATOM 797 O CYS A 55 6.198 -5.197 -6.517 1.00 0.00 O ATOM 798 CB CYS A 55 6.922 -8.365 -6.553 1.00 0.00 C ATOM 799 SG CYS A 55 5.125 -8.204 -6.676 1.00 0.00 S ATOM 0 H CYS A 55 6.592 -6.358 -4.459 1.00 0.00 H new ATOM 0 HA CYS A 55 8.704 -7.187 -6.320 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.314 -8.684 -7.519 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.157 -9.153 -5.837 1.00 0.00 H new ATOM 0 HG CYS A 55 4.804 -7.835 -7.880 1.00 0.00 H new ATOM 805 N PHE A 56 7.704 -5.690 -8.114 1.00 0.00 N ATOM 806 CA PHE A 56 7.301 -4.593 -8.986 1.00 0.00 C ATOM 807 C PHE A 56 6.336 -5.082 -10.063 1.00 0.00 C ATOM 808 O PHE A 56 6.522 -6.154 -10.639 1.00 0.00 O ATOM 809 CB PHE A 56 8.528 -3.953 -9.637 1.00 0.00 C ATOM 810 CG PHE A 56 9.406 -3.216 -8.667 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.995 -2.013 -8.116 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.643 -3.727 -8.305 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.801 -1.333 -7.222 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.452 -3.051 -7.411 1.00 0.00 C ATOM 815 CZ PHE A 56 11.031 -1.852 -6.870 1.00 0.00 C ATOM 0 H PHE A 56 8.463 -6.264 -8.482 1.00 0.00 H new ATOM 0 HA PHE A 56 6.791 -3.846 -8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.115 -4.729 -10.128 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.199 -3.263 -10.413 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.034 -1.602 -8.388 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.978 -4.663 -8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.469 -0.396 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.413 -3.460 -7.136 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.663 -1.321 -6.173 1.00 0.00 H new ATOM 825 N VAL A 57 5.304 -4.287 -10.329 1.00 0.00 N ATOM 826 CA VAL A 57 4.310 -4.637 -11.337 1.00 0.00 C ATOM 827 C VAL A 57 4.264 -3.595 -12.449 1.00 0.00 C ATOM 828 O VAL A 57 4.247 -2.393 -12.185 1.00 0.00 O ATOM 829 CB VAL A 57 2.907 -4.773 -10.717 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.643 -6.213 -10.303 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.755 -3.832 -9.532 1.00 0.00 C ATOM 0 H VAL A 57 5.135 -3.397 -9.861 1.00 0.00 H new ATOM 0 HA VAL A 57 4.609 -5.598 -11.756 1.00 0.00 H new ATOM 0 HB VAL A 57 2.168 -4.496 -11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.647 -6.289 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.707 -6.861 -11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.386 -6.522 -9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.758 -3.941 -9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.501 -4.076 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.897 -2.803 -9.864 1.00 0.00 H new ATOM 841 N GLU A 58 4.243 -4.065 -13.692 1.00 0.00 N ATOM 842 CA GLU A 58 4.199 -3.172 -14.845 1.00 0.00 C ATOM 843 C GLU A 58 2.770 -3.011 -15.354 1.00 0.00 C ATOM 844 O GLU A 58 1.932 -3.895 -15.174 1.00 0.00 O ATOM 845 CB GLU A 58 5.095 -3.706 -15.965 1.00 0.00 C ATOM 846 CG GLU A 58 5.517 -2.642 -16.965 1.00 0.00 C ATOM 847 CD GLU A 58 6.868 -2.933 -17.590 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.049 -4.049 -18.120 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.744 -2.044 -17.549 1.00 0.00 O ATOM 0 H GLU A 58 4.256 -5.058 -13.927 1.00 0.00 H new ATOM 0 HA GLU A 58 4.566 -2.195 -14.531 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.986 -4.153 -15.524 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.568 -4.501 -16.493 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.765 -2.569 -17.751 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.552 -1.673 -16.466 1.00 0.00 H new ATOM 856 N PHE A 59 2.499 -1.876 -15.989 1.00 0.00 N ATOM 857 CA PHE A 59 1.171 -1.597 -16.524 1.00 0.00 C ATOM 858 C PHE A 59 1.264 -0.820 -17.833 1.00 0.00 C ATOM 859 O PHE A 59 2.341 -0.372 -18.227 1.00 0.00 O ATOM 860 CB PHE A 59 0.344 -0.808 -15.506 1.00 0.00 C ATOM 861 CG PHE A 59 -0.151 -1.642 -14.360 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.667 -1.904 -13.272 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.434 -2.166 -14.370 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.214 -2.671 -12.215 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.892 -2.933 -13.316 1.00 0.00 C ATOM 866 CZ PHE A 59 -1.067 -3.187 -12.238 1.00 0.00 C ATOM 0 H PHE A 59 3.181 -1.134 -16.146 1.00 0.00 H new ATOM 0 HA PHE A 59 0.679 -2.549 -16.722 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.949 0.010 -15.115 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.510 -0.359 -16.013 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.670 -1.504 -13.250 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.083 -1.973 -15.211 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.861 -2.866 -11.372 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.895 -3.334 -13.335 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.423 -3.788 -11.414 1.00 0.00 H new ATOM 876 N ALA A 60 0.127 -0.663 -18.504 1.00 0.00 N ATOM 877 CA ALA A 60 0.079 0.061 -19.768 1.00 0.00 C ATOM 878 C ALA A 60 0.827 1.386 -19.670 1.00 0.00 C ATOM 879 O ALA A 60 1.700 1.678 -20.488 1.00 0.00 O ATOM 880 CB ALA A 60 -1.365 0.297 -20.186 1.00 0.00 C ATOM 0 H ALA A 60 -0.773 -1.028 -18.193 1.00 0.00 H new ATOM 0 HA ALA A 60 0.570 -0.548 -20.527 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.386 0.839 -21.132 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.870 -0.661 -20.305 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.874 0.883 -19.421 1.00 0.00 H new ATOM 886 N ASP A 61 0.480 2.183 -18.666 1.00 0.00 N ATOM 887 CA ASP A 61 1.120 3.478 -18.462 1.00 0.00 C ATOM 888 C ASP A 61 0.874 3.988 -17.045 1.00 0.00 C ATOM 889 O ASP A 61 0.078 3.418 -16.298 1.00 0.00 O ATOM 890 CB ASP A 61 0.600 4.494 -19.480 1.00 0.00 C ATOM 891 CG ASP A 61 1.033 5.910 -19.157 1.00 0.00 C ATOM 892 OD1 ASP A 61 2.255 6.168 -19.139 1.00 0.00 O ATOM 893 OD2 ASP A 61 0.150 6.762 -18.921 1.00 0.00 O ATOM 0 H ASP A 61 -0.240 1.956 -17.981 1.00 0.00 H new ATOM 0 HA ASP A 61 2.193 3.351 -18.603 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.959 4.225 -20.473 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.489 4.448 -19.511 1.00 0.00 H new ATOM 898 N LEU A 62 1.564 5.063 -16.681 1.00 0.00 N ATOM 899 CA LEU A 62 1.422 5.650 -15.353 1.00 0.00 C ATOM 900 C LEU A 62 -0.039 5.970 -15.053 1.00 0.00 C ATOM 901 O LEU A 62 -0.548 5.646 -13.980 1.00 0.00 O ATOM 902 CB LEU A 62 2.267 6.920 -15.242 1.00 0.00 C ATOM 903 CG LEU A 62 2.274 7.604 -13.874 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.981 6.735 -12.846 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.936 8.971 -13.965 1.00 0.00 C ATOM 0 H LEU A 62 2.227 5.546 -17.287 1.00 0.00 H new ATOM 0 HA LEU A 62 1.773 4.922 -14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.295 6.673 -15.508 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.910 7.636 -15.982 1.00 0.00 H new ATOM 0 HG LEU A 62 1.242 7.743 -13.553 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.976 7.238 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.464 5.779 -12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.010 6.564 -13.161 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.932 9.443 -12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.964 8.855 -14.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.387 9.595 -14.670 1.00 0.00 H new ATOM 917 N ALA A 63 -0.709 6.607 -16.008 1.00 0.00 N ATOM 918 CA ALA A 63 -2.112 6.967 -15.848 1.00 0.00 C ATOM 919 C ALA A 63 -2.933 5.774 -15.370 1.00 0.00 C ATOM 920 O ALA A 63 -3.587 5.835 -14.328 1.00 0.00 O ATOM 921 CB ALA A 63 -2.671 7.505 -17.157 1.00 0.00 C ATOM 0 H ALA A 63 -0.302 6.884 -16.901 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.178 7.747 -15.090 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.720 7.770 -17.023 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.109 8.389 -17.457 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.586 6.742 -17.930 1.00 0.00 H new ATOM 927 N THR A 64 -2.897 4.690 -16.138 1.00 0.00 N ATOM 928 CA THR A 64 -3.640 3.484 -15.793 1.00 0.00 C ATOM 929 C THR A 64 -3.191 2.928 -14.447 1.00 0.00 C ATOM 930 O THR A 64 -4.013 2.497 -13.638 1.00 0.00 O ATOM 931 CB THR A 64 -3.470 2.394 -16.868 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.054 2.827 -18.102 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.119 1.091 -16.424 1.00 0.00 C ATOM 0 H THR A 64 -2.361 4.622 -17.003 1.00 0.00 H new ATOM 0 HA THR A 64 -4.691 3.766 -15.734 1.00 0.00 H new ATOM 0 HB THR A 64 -2.404 2.220 -17.013 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.940 2.129 -18.780 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.986 0.336 -17.199 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.653 0.749 -15.500 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.183 1.254 -16.255 1.00 0.00 H new ATOM 941 N ALA A 65 -1.883 2.942 -14.212 1.00 0.00 N ATOM 942 CA ALA A 65 -1.326 2.442 -12.961 1.00 0.00 C ATOM 943 C ALA A 65 -1.939 3.158 -11.762 1.00 0.00 C ATOM 944 O ALA A 65 -2.293 2.528 -10.766 1.00 0.00 O ATOM 945 CB ALA A 65 0.187 2.600 -12.957 1.00 0.00 C ATOM 0 H ALA A 65 -1.189 3.294 -14.872 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.569 1.383 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.590 2.223 -12.017 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.614 2.037 -13.787 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.443 3.654 -13.064 1.00 0.00 H new ATOM 951 N GLU A 66 -2.059 4.478 -11.865 1.00 0.00 N ATOM 952 CA GLU A 66 -2.628 5.279 -10.787 1.00 0.00 C ATOM 953 C GLU A 66 -4.026 4.787 -10.423 1.00 0.00 C ATOM 954 O GLU A 66 -4.249 4.268 -9.329 1.00 0.00 O ATOM 955 CB GLU A 66 -2.683 6.753 -11.192 1.00 0.00 C ATOM 956 CG GLU A 66 -1.438 7.537 -10.809 1.00 0.00 C ATOM 957 CD GLU A 66 -1.285 8.816 -11.609 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.537 8.784 -12.832 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.913 9.848 -11.013 1.00 0.00 O ATOM 0 H GLU A 66 -1.770 5.015 -12.683 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.986 5.174 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.826 6.820 -12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.552 7.217 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.478 7.780 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.558 6.911 -10.960 1.00 0.00 H new ATOM 966 N LYS A 67 -4.965 4.956 -11.348 1.00 0.00 N ATOM 967 CA LYS A 67 -6.342 4.530 -11.127 1.00 0.00 C ATOM 968 C LYS A 67 -6.394 3.078 -10.664 1.00 0.00 C ATOM 969 O LYS A 67 -7.169 2.728 -9.773 1.00 0.00 O ATOM 970 CB LYS A 67 -7.161 4.698 -12.409 1.00 0.00 C ATOM 971 CG LYS A 67 -7.111 6.103 -12.983 1.00 0.00 C ATOM 972 CD LYS A 67 -7.215 6.091 -14.499 1.00 0.00 C ATOM 973 CE LYS A 67 -8.650 5.878 -14.957 1.00 0.00 C ATOM 974 NZ LYS A 67 -9.224 4.615 -14.415 1.00 0.00 N ATOM 0 H LYS A 67 -4.797 5.385 -12.258 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.770 5.158 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.796 3.995 -13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.199 4.435 -12.204 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.925 6.696 -12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.180 6.586 -12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.841 7.034 -14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.582 5.300 -14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.262 6.721 -14.638 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.684 5.854 -16.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.952 4.257 -15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.470 3.906 -14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.652 4.799 -13.485 1.00 0.00 H new ATOM 988 N CYS A 68 -5.566 2.237 -11.274 1.00 0.00 N ATOM 989 CA CYS A 68 -5.518 0.822 -10.923 1.00 0.00 C ATOM 990 C CYS A 68 -4.866 0.622 -9.559 1.00 0.00 C ATOM 991 O CYS A 68 -4.956 -0.455 -8.968 1.00 0.00 O ATOM 992 CB CYS A 68 -4.751 0.037 -11.989 1.00 0.00 C ATOM 993 SG CYS A 68 -5.727 -0.361 -13.458 1.00 0.00 S ATOM 0 H CYS A 68 -4.919 2.510 -12.014 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.541 0.450 -10.874 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.878 0.614 -12.292 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.383 -0.890 -11.548 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.428 -1.558 -13.866 1.00 0.00 H new ATOM 999 N LEU A 69 -4.208 1.664 -9.065 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.539 1.603 -7.770 1.00 0.00 C ATOM 1001 C LEU A 69 -4.454 2.108 -6.659 1.00 0.00 C ATOM 1002 O LEU A 69 -4.314 1.719 -5.500 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.251 2.428 -7.800 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.764 2.961 -6.452 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -1.020 1.877 -5.687 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.876 4.181 -6.650 1.00 0.00 C ATOM 0 H LEU A 69 -4.123 2.562 -9.541 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.292 0.561 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.460 1.815 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.401 3.274 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.633 3.260 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.681 2.274 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.686 1.032 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.159 1.547 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.539 4.547 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.012 3.908 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.441 4.964 -7.157 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.393 2.977 -7.022 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.334 3.533 -6.057 1.00 0.00 C ATOM 1020 C HIS A 70 -7.558 2.634 -5.910 1.00 0.00 C ATOM 1021 O HIS A 70 -8.313 2.747 -4.944 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.767 4.936 -6.485 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.668 5.951 -6.408 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.308 6.584 -5.237 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.847 6.441 -7.367 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.314 7.420 -5.479 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -4.015 7.352 -6.763 1.00 0.00 N ATOM 0 H HIS A 70 -5.522 3.311 -7.977 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.832 3.594 -5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.142 4.896 -7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.595 5.260 -5.854 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.846 6.167 -8.412 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.828 8.052 -4.750 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.285 7.889 -7.231 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.749 1.740 -6.875 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.880 0.821 -6.854 1.00 0.00 C ATOM 1037 C LYS A 71 -8.592 -0.375 -5.951 1.00 0.00 C ATOM 1038 O LYS A 71 -9.510 -1.075 -5.523 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.197 0.338 -8.271 1.00 0.00 C ATOM 1040 CG LYS A 71 -8.047 -0.400 -8.935 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.070 -1.882 -8.602 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.306 -2.562 -9.171 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.557 -2.165 -10.584 1.00 0.00 N ATOM 0 H LYS A 71 -7.134 1.633 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.743 1.355 -6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.067 -0.318 -8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.470 1.196 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.104 -0.268 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.100 0.032 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.175 -2.359 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.047 -2.013 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.184 -3.644 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.174 -2.307 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.224 -2.834 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.961 -1.207 -10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.661 -2.177 -11.112 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.315 -0.600 -5.665 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.908 -1.709 -4.810 1.00 0.00 C ATOM 1059 C ILE A 72 -6.145 -1.210 -3.588 1.00 0.00 C ATOM 1060 O ILE A 72 -5.929 -1.953 -2.632 1.00 0.00 O ATOM 1061 CB ILE A 72 -6.029 -2.716 -5.574 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.243 -2.005 -6.678 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.884 -3.829 -6.159 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.525 -2.951 -7.614 1.00 0.00 C ATOM 0 H ILE A 72 -6.544 -0.030 -6.012 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.821 -2.209 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.319 -3.159 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.926 -1.383 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.514 -1.336 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.248 -4.533 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.403 -4.350 -5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.615 -3.403 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.989 -2.378 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.816 -3.555 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.251 -3.603 -8.100 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.740 0.056 -3.626 1.00 0.00 N ATOM 1077 CA ASN A 73 -5.002 0.656 -2.520 1.00 0.00 C ATOM 1078 C ASN A 73 -5.857 0.702 -1.257 1.00 0.00 C ATOM 1079 O ASN A 73 -6.595 1.660 -1.030 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.544 2.067 -2.892 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.310 2.939 -1.673 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.204 3.661 -1.233 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.103 2.875 -1.123 1.00 0.00 N ATOM 0 H ASN A 73 -5.910 0.686 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.126 0.038 -2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.624 2.006 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.295 2.533 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.886 3.439 -0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.392 2.262 -1.522 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.750 -0.340 -0.438 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.518 -0.398 0.792 1.00 0.00 C ATOM 1092 C GLY A 74 -7.460 -1.585 0.832 1.00 0.00 C ATOM 1093 O GLY A 74 -7.865 -2.030 1.906 1.00 0.00 O ATOM 0 H GLY A 74 -5.145 -1.145 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.836 -0.451 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.093 0.522 0.902 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.811 -2.099 -0.341 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.711 -3.242 -0.438 1.00 0.00 C ATOM 1099 C LYS A 75 -8.006 -4.527 -0.016 1.00 0.00 C ATOM 1100 O LYS A 75 -6.780 -4.630 -0.048 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.239 -3.383 -1.867 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.356 -2.409 -2.202 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.661 -2.806 -1.532 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.644 -1.646 -1.497 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.299 -1.433 -2.818 1.00 0.00 N ATOM 0 H LYS A 75 -7.486 -1.742 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.550 -3.070 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.416 -3.233 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.600 -4.401 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.073 -1.406 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.497 -2.373 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.106 -3.645 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.461 -3.146 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.405 -1.838 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.122 -0.737 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.961 -0.634 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.575 -1.225 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.819 -2.292 -3.090 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.798 -5.532 0.387 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.271 -6.830 0.821 1.00 0.00 C ATOM 1121 C PRO A 76 -7.678 -7.630 -0.334 1.00 0.00 C ATOM 1122 O PRO A 76 -8.235 -7.660 -1.432 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.502 -7.541 1.388 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.658 -6.912 0.690 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.268 -5.480 0.451 1.00 0.00 C ATOM 0 HA PRO A 76 -7.457 -6.721 1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.462 -8.614 1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.573 -7.410 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.870 -7.421 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.561 -6.974 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.697 -5.096 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.612 -4.830 1.256 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.546 -8.277 -0.079 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.878 -9.079 -1.098 1.00 0.00 C ATOM 1135 C LEU A 77 -6.422 -10.504 -1.115 1.00 0.00 C ATOM 1136 O LEU A 77 -6.395 -11.216 -0.111 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.369 -9.101 -0.849 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.603 -10.272 -1.466 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.731 -10.254 -2.982 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.140 -10.230 -1.052 1.00 0.00 C ATOM 0 H LEU A 77 -6.072 -8.262 0.824 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.074 -8.624 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.944 -8.173 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.199 -9.109 0.228 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.038 -11.201 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.180 -11.094 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.782 -10.334 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.323 -9.321 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.611 -11.071 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.692 -9.296 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.067 -10.293 0.034 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.927 -10.931 -2.281 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.485 -12.276 -2.457 1.00 0.00 C ATOM 1154 C PRO A 78 -6.413 -13.359 -2.412 1.00 0.00 C ATOM 1155 O PRO A 78 -5.281 -13.144 -2.843 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.126 -12.215 -3.846 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.374 -11.148 -4.564 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.992 -10.136 -3.519 1.00 0.00 C ATOM 0 HA PRO A 78 -8.183 -12.535 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.045 -13.172 -4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.188 -11.976 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.490 -11.556 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.988 -10.693 -5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.035 -9.666 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.730 -9.337 -3.445 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.778 -14.525 -1.887 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.835 -15.625 -1.796 1.00 0.00 C ATOM 1168 C GLY A 79 -5.065 -15.621 -0.491 1.00 0.00 C ATOM 1169 O GLY A 79 -4.981 -16.642 0.191 1.00 0.00 O ATOM 0 H GLY A 79 -7.709 -14.727 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.371 -16.569 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.134 -15.568 -2.628 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.499 -14.470 -0.143 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.731 -14.337 1.089 1.00 0.00 C ATOM 1175 C ALA A 80 -4.359 -15.149 2.217 1.00 0.00 C ATOM 1176 O ALA A 80 -5.572 -15.108 2.426 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.622 -12.873 1.488 1.00 0.00 C ATOM 0 H ALA A 80 -4.558 -13.616 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.730 -14.728 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.046 -12.789 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.122 -12.316 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.620 -12.463 1.645 1.00 0.00 H new ATOM 1183 N THR A 81 -3.526 -15.889 2.943 1.00 0.00 N ATOM 1184 CA THR A 81 -3.999 -16.712 4.048 1.00 0.00 C ATOM 1185 C THR A 81 -3.298 -16.341 5.350 1.00 0.00 C ATOM 1186 O THR A 81 -2.071 -16.289 5.429 1.00 0.00 O ATOM 1187 CB THR A 81 -3.778 -18.211 3.768 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.758 -18.685 2.838 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.857 -19.019 5.054 1.00 0.00 C ATOM 0 H THR A 81 -2.519 -15.935 2.785 1.00 0.00 H new ATOM 0 HA THR A 81 -5.068 -16.523 4.147 1.00 0.00 H new ATOM 0 HB THR A 81 -2.783 -18.336 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.842 -18.048 2.098 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.698 -20.074 4.831 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.090 -18.675 5.748 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.840 -18.888 5.506 1.00 0.00 H new ATOM 1197 N PRO A 82 -4.094 -16.077 6.397 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.556 -16.136 6.315 1.00 0.00 C ATOM 1199 C PRO A 82 -6.134 -15.008 5.466 1.00 0.00 C ATOM 1200 O PRO A 82 -6.961 -15.243 4.586 1.00 0.00 O ATOM 1201 CB PRO A 82 -6.000 -15.990 7.772 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.885 -15.257 8.436 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.627 -15.701 7.742 1.00 0.00 C ATOM 0 HA PRO A 82 -5.901 -17.055 5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.937 -15.438 7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.165 -16.963 8.235 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.020 -14.179 8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.846 -15.488 9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.887 -14.902 7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.160 -16.542 8.255 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.693 -13.784 5.737 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.166 -12.621 4.997 1.00 0.00 C ATOM 1213 C ALA A 83 -5.168 -11.471 5.087 1.00 0.00 C ATOM 1214 O ALA A 83 -4.505 -11.289 6.108 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.528 -12.183 5.515 1.00 0.00 C ATOM 0 H ALA A 83 -5.009 -13.572 6.463 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.263 -12.903 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.869 -11.313 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.243 -12.997 5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.450 -11.925 6.571 1.00 0.00 H new ATOM 1221 N LYS A 84 -5.066 -10.697 4.012 1.00 0.00 N ATOM 1222 CA LYS A 84 -4.150 -9.563 3.969 1.00 0.00 C ATOM 1223 C LYS A 84 -4.752 -8.407 3.175 1.00 0.00 C ATOM 1224 O LYS A 84 -5.812 -8.547 2.565 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.816 -9.982 3.348 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.975 -10.867 4.252 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.707 -11.332 3.556 1.00 0.00 C ATOM 1228 CE LYS A 84 0.309 -11.872 4.550 1.00 0.00 C ATOM 1229 NZ LYS A 84 -0.165 -13.125 5.201 1.00 0.00 N ATOM 0 H LYS A 84 -5.607 -10.834 3.158 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.978 -9.228 4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.010 -10.510 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.245 -9.088 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.714 -10.320 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.560 -11.733 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.953 -12.106 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.269 -10.502 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.252 -12.063 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.507 -11.119 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.555 -13.462 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.052 -12.937 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.330 -13.852 4.476 1.00 0.00 H new ATOM 1243 N ARG A 85 -4.067 -7.268 3.187 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.534 -6.089 2.468 1.00 0.00 C ATOM 1245 C ARG A 85 -3.648 -5.803 1.259 1.00 0.00 C ATOM 1246 O ARG A 85 -2.527 -6.304 1.165 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.555 -4.874 3.397 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.325 -3.690 2.834 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.567 -2.628 3.895 1.00 0.00 C ATOM 1250 NE ARG A 85 -4.436 -1.713 4.022 1.00 0.00 N ATOM 1251 CZ ARG A 85 -3.359 -1.973 4.755 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -3.267 -3.114 5.423 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -2.371 -1.089 4.820 1.00 0.00 N ATOM 0 H ARG A 85 -3.187 -7.137 3.686 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.547 -6.286 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.997 -5.164 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.530 -4.566 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.770 -3.256 2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.280 -4.032 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.464 -2.062 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.753 -3.110 4.855 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.475 -0.826 3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.024 -3.795 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.439 -3.311 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.439 -0.210 4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.544 -1.289 5.383 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.159 -4.996 0.335 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.415 -4.645 -0.869 1.00 0.00 C ATOM 1269 C PHE A 86 -2.453 -3.491 -0.597 1.00 0.00 C ATOM 1270 O PHE A 86 -2.860 -2.331 -0.527 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.377 -4.266 -1.997 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.734 -5.418 -2.892 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.756 -6.077 -3.618 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -6.049 -5.841 -3.008 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.082 -7.137 -4.443 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.381 -6.900 -3.831 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.396 -7.550 -4.549 1.00 0.00 C ATOM 0 H PHE A 86 -5.085 -4.573 0.397 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.834 -5.516 -1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.289 -3.857 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.927 -3.476 -2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.727 -5.759 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.823 -5.337 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.310 -7.642 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.409 -7.219 -3.913 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.653 -8.379 -5.192 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.175 -3.819 -0.444 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.153 -2.812 -0.181 1.00 0.00 C ATOM 1289 C LYS A 87 0.496 -2.342 -1.479 1.00 0.00 C ATOM 1290 O LYS A 87 1.381 -3.007 -2.018 1.00 0.00 O ATOM 1291 CB LYS A 87 0.915 -3.374 0.761 1.00 0.00 C ATOM 1292 CG LYS A 87 1.691 -2.304 1.508 1.00 0.00 C ATOM 1293 CD LYS A 87 1.031 -1.958 2.832 1.00 0.00 C ATOM 1294 CE LYS A 87 1.423 -2.941 3.924 1.00 0.00 C ATOM 1295 NZ LYS A 87 0.382 -3.035 4.985 1.00 0.00 N ATOM 0 H LYS A 87 -0.822 -4.774 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.635 -1.957 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.438 -4.036 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.613 -3.981 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.709 -2.650 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.763 -1.408 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.317 -0.949 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.052 -1.960 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.585 -3.926 3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.369 -2.631 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.663 -3.752 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.282 -2.113 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.526 -3.306 4.557 1.00 0.00 H new ATOM 1309 N LEU A 88 0.051 -1.193 -1.975 1.00 0.00 N ATOM 1310 CA LEU A 88 0.589 -0.633 -3.209 1.00 0.00 C ATOM 1311 C LEU A 88 1.029 0.813 -3.005 1.00 0.00 C ATOM 1312 O LEU A 88 0.404 1.562 -2.255 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.455 -0.707 -4.324 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.155 -2.056 -4.500 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.218 -1.969 -5.584 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.142 -3.143 -4.829 1.00 0.00 C ATOM 0 H LEU A 88 -0.681 -0.631 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 88 1.460 -1.222 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.214 0.052 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.029 -0.446 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.644 -2.315 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.705 -2.938 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.960 -1.220 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.752 -1.687 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.657 -4.096 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.376 -2.890 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.582 -3.223 -4.018 1.00 0.00 H new ATOM 1328 N ASN A 89 2.108 1.199 -3.678 1.00 0.00 N ATOM 1329 CA ASN A 89 2.631 2.556 -3.572 1.00 0.00 C ATOM 1330 C ASN A 89 3.379 2.952 -4.841 1.00 0.00 C ATOM 1331 O ASN A 89 3.817 2.095 -5.609 1.00 0.00 O ATOM 1332 CB ASN A 89 3.558 2.674 -2.361 1.00 0.00 C ATOM 1333 CG ASN A 89 2.805 2.995 -1.084 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.554 2.115 -0.261 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.441 4.261 -0.914 1.00 0.00 N ATOM 0 H ASN A 89 2.637 0.591 -4.303 1.00 0.00 H new ATOM 0 HA ASN A 89 1.788 3.235 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.104 1.739 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.298 3.452 -2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.932 4.537 -0.074 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.671 4.957 -1.623 1.00 0.00 H new ATOM 1342 N TYR A 90 3.523 4.255 -5.054 1.00 0.00 N ATOM 1343 CA TYR A 90 4.217 4.765 -6.230 1.00 0.00 C ATOM 1344 C TYR A 90 5.644 4.228 -6.297 1.00 0.00 C ATOM 1345 O TYR A 90 6.350 4.184 -5.290 1.00 0.00 O ATOM 1346 CB TYR A 90 4.237 6.295 -6.214 1.00 0.00 C ATOM 1347 CG TYR A 90 2.932 6.921 -6.653 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.258 6.455 -7.775 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.375 7.980 -5.947 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.067 7.025 -8.180 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.183 8.555 -6.344 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.533 8.074 -7.461 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.653 8.645 -7.861 1.00 0.00 O ATOM 0 H TYR A 90 3.168 4.977 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 90 3.678 4.424 -7.114 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.474 6.637 -5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.037 6.647 -6.866 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.672 5.633 -8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.882 8.360 -5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.556 6.651 -9.055 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.763 9.376 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.891 9.370 -7.246 1.00 0.00 H new ATOM 1363 N ALA A 91 6.061 3.822 -7.491 1.00 0.00 N ATOM 1364 CA ALA A 91 7.404 3.291 -7.691 1.00 0.00 C ATOM 1365 C ALA A 91 8.455 4.212 -7.083 1.00 0.00 C ATOM 1366 O ALA A 91 9.575 3.788 -6.792 1.00 0.00 O ATOM 1367 CB ALA A 91 7.674 3.085 -9.174 1.00 0.00 C ATOM 0 H ALA A 91 5.489 3.850 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 91 7.466 2.328 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.680 2.688 -9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.949 2.381 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.587 4.038 -9.696 1.00 0.00 H new ATOM 1373 N THR A 92 8.089 5.476 -6.892 1.00 0.00 N ATOM 1374 CA THR A 92 9.002 6.458 -6.320 1.00 0.00 C ATOM 1375 C THR A 92 8.695 6.699 -4.846 1.00 0.00 C ATOM 1376 O THR A 92 8.707 7.838 -4.378 1.00 0.00 O ATOM 1377 CB THR A 92 8.929 7.798 -7.074 1.00 0.00 C ATOM 1378 OG1 THR A 92 9.974 8.669 -6.627 1.00 0.00 O ATOM 1379 CG2 THR A 92 7.579 8.467 -6.861 1.00 0.00 C ATOM 0 H THR A 92 7.167 5.844 -7.125 1.00 0.00 H new ATOM 0 HA THR A 92 10.008 6.050 -6.417 1.00 0.00 H new ATOM 0 HB THR A 92 9.053 7.598 -8.138 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.874 8.833 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.552 9.412 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.787 7.814 -7.229 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.430 8.655 -5.798 1.00 0.00 H new ATOM 1387 N TYR A 93 8.422 5.622 -4.119 1.00 0.00 N ATOM 1388 CA TYR A 93 8.111 5.717 -2.698 1.00 0.00 C ATOM 1389 C TYR A 93 9.386 5.737 -1.861 1.00 0.00 C ATOM 1390 O TYR A 93 9.404 5.264 -0.725 1.00 0.00 O ATOM 1391 CB TYR A 93 7.224 4.547 -2.268 1.00 0.00 C ATOM 1392 CG TYR A 93 8.002 3.341 -1.792 1.00 0.00 C ATOM 1393 CD1 TYR A 93 9.212 2.993 -2.380 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.527 2.550 -0.753 1.00 0.00 C ATOM 1395 CE1 TYR A 93 9.925 1.892 -1.948 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.234 1.448 -0.313 1.00 0.00 C ATOM 1397 CZ TYR A 93 9.432 1.123 -0.914 1.00 0.00 C ATOM 1398 OH TYR A 93 10.141 0.026 -0.480 1.00 0.00 O ATOM 0 H TYR A 93 8.410 4.672 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 93 7.574 6.651 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.560 4.879 -1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.592 4.254 -3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 93 9.601 3.594 -3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.589 2.801 -0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.863 1.634 -2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.851 0.845 0.497 1.00 0.00 H new ATOM 0 HH TYR A 93 9.658 -0.406 0.255 1.00 0.00 H new ATOM 1408 N SER A 94 10.452 6.290 -2.432 1.00 0.00 N ATOM 1409 CA SER A 94 11.734 6.369 -1.741 1.00 0.00 C ATOM 1410 C SER A 94 11.562 6.960 -0.345 1.00 0.00 C ATOM 1411 O SER A 94 11.969 6.360 0.649 1.00 0.00 O ATOM 1412 CB SER A 94 12.720 7.216 -2.548 1.00 0.00 C ATOM 1413 OG SER A 94 14.058 6.932 -2.178 1.00 0.00 O ATOM 0 H SER A 94 10.453 6.690 -3.370 1.00 0.00 H new ATOM 0 HA SER A 94 12.130 5.358 -1.643 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.585 7.022 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.512 8.274 -2.388 1.00 0.00 H new ATOM 0 HG SER A 94 14.669 7.485 -2.709 1.00 0.00 H new ATOM 1419 N GLY A 95 10.957 8.142 -0.279 1.00 0.00 N ATOM 1420 CA GLY A 95 10.742 8.795 0.999 1.00 0.00 C ATOM 1421 C GLY A 95 9.289 8.762 1.430 1.00 0.00 C ATOM 1422 O GLY A 95 8.543 7.840 1.102 1.00 0.00 O ATOM 0 H GLY A 95 10.612 8.659 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.354 8.310 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.075 9.831 0.935 1.00 0.00 H new ATOM 1426 N PRO A 96 8.868 9.788 2.185 1.00 0.00 N ATOM 1427 CA PRO A 96 7.492 9.895 2.678 1.00 0.00 C ATOM 1428 C PRO A 96 6.496 10.182 1.560 1.00 0.00 C ATOM 1429 O PRO A 96 6.624 11.172 0.840 1.00 0.00 O ATOM 1430 CB PRO A 96 7.556 11.075 3.653 1.00 0.00 C ATOM 1431 CG PRO A 96 8.706 11.895 3.180 1.00 0.00 C ATOM 1432 CD PRO A 96 9.703 10.923 2.614 1.00 0.00 C ATOM 0 HA PRO A 96 7.148 8.966 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.629 11.649 3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.707 10.734 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.388 12.613 2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.141 12.467 4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.255 11.354 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.438 10.621 3.360 1.00 0.00 H new ATOM 1440 N SER A 97 5.503 9.309 1.421 1.00 0.00 N ATOM 1441 CA SER A 97 4.486 9.466 0.387 1.00 0.00 C ATOM 1442 C SER A 97 3.324 10.314 0.894 1.00 0.00 C ATOM 1443 O SER A 97 2.641 9.943 1.849 1.00 0.00 O ATOM 1444 CB SER A 97 3.975 8.098 -0.067 1.00 0.00 C ATOM 1445 OG SER A 97 3.265 7.448 0.973 1.00 0.00 O ATOM 0 H SER A 97 5.381 8.486 2.011 1.00 0.00 H new ATOM 0 HA SER A 97 4.941 9.975 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 97 3.326 8.218 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.815 7.478 -0.381 1.00 0.00 H new ATOM 0 HG SER A 97 2.939 8.115 1.613 1.00 0.00 H new ATOM 1451 N SER A 98 3.105 11.454 0.247 1.00 0.00 N ATOM 1452 CA SER A 98 2.027 12.358 0.634 1.00 0.00 C ATOM 1453 C SER A 98 1.976 12.525 2.149 1.00 0.00 C ATOM 1454 O SER A 98 0.902 12.533 2.749 1.00 0.00 O ATOM 1455 CB SER A 98 0.684 11.832 0.122 1.00 0.00 C ATOM 1456 OG SER A 98 -0.285 12.865 0.081 1.00 0.00 O ATOM 0 H SER A 98 3.659 11.774 -0.547 1.00 0.00 H new ATOM 0 HA SER A 98 2.223 13.332 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.811 11.409 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.335 11.027 0.768 1.00 0.00 H new ATOM 0 HG SER A 98 -0.392 13.249 0.976 1.00 0.00 H new ATOM 1462 N GLY A 99 3.148 12.659 2.764 1.00 0.00 N ATOM 1463 CA GLY A 99 3.216 12.825 4.204 1.00 0.00 C ATOM 1464 C GLY A 99 3.156 14.280 4.623 1.00 0.00 C ATOM 1465 O GLY A 99 2.326 15.042 4.127 1.00 0.00 O ATOM 0 H GLY A 99 4.051 12.655 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.393 12.282 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 99 4.140 12.381 4.575 1.00 0.00 H new TER 1469 GLY A 99