USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0294 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 0:sc= -0.988 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0633 X(o=-0.063,f=-0.13) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.58! K(o=-1.6!,f=0.21) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0518 (180deg=-0.331) USER MOD Single : A 44 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.87) USER MOD Single : A 52 ASN : amide:sc= 0.713 K(o=0.71,f=-0.1) USER MOD Single : A 53 HIS : no HE2:sc= -5.31! C(o=-5.3!,f=-5.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0279 K(o=-0.028,f=-0.75) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.932 K(o=-0.93,f=-3.2) USER MOD Single : A 59 MET CE :methyl -151:sc= -3.78! (180deg=-4.82) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 61 TYR OH : rot -39:sc= -0.199 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -126:sc= -1.31 (180deg=-5.34!) USER MOD Single : A 65 SER OG : rot -69:sc= 0.398 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.453 USER MOD Single : A 72 TYR OH : rot -87:sc= 0.144! USER MOD Single : A 73 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.574) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.59) USER MOD Single : A 90 MET CE :methyl -167:sc= -0.153 (180deg=-0.475) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 159:sc= -0.605 (180deg=-1.37) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0715 USER MOD Single : A 110 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.88) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 116 SER OG : rot 24:sc= 0.957 USER MOD Single : A 117 SER OG : rot 24:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.082 24.828 11.767 1.00 0.00 N ATOM 2 CA GLY A 1 -24.476 23.685 11.110 1.00 0.00 C ATOM 3 C GLY A 1 -23.915 22.680 12.097 1.00 0.00 C ATOM 4 O GLY A 1 -23.516 23.042 13.203 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.723 25.705 11.339 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.115 24.786 11.654 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.843 24.814 12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.219 23.196 10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.677 24.029 10.452 1.00 0.00 H new ATOM 8 N SER A 2 -23.887 21.412 11.697 1.00 0.00 N ATOM 9 CA SER A 2 -23.377 20.351 12.556 1.00 0.00 C ATOM 10 C SER A 2 -22.141 19.701 11.941 1.00 0.00 C ATOM 11 O SER A 2 -22.249 18.777 11.134 1.00 0.00 O ATOM 12 CB SER A 2 -24.458 19.294 12.794 1.00 0.00 C ATOM 13 OG SER A 2 -25.311 19.670 13.861 1.00 0.00 O ATOM 0 H SER A 2 -24.212 21.095 10.783 1.00 0.00 H new ATOM 0 HA SER A 2 -23.096 20.794 13.511 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.045 19.158 11.886 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.991 18.335 13.018 1.00 0.00 H new ATOM 0 HG SER A 2 -25.994 18.980 13.993 1.00 0.00 H new ATOM 19 N SER A 3 -20.968 20.191 12.328 1.00 0.00 N ATOM 20 CA SER A 3 -19.711 19.661 11.812 1.00 0.00 C ATOM 21 C SER A 3 -19.553 18.187 12.174 1.00 0.00 C ATOM 22 O SER A 3 -18.991 17.848 13.214 1.00 0.00 O ATOM 23 CB SER A 3 -18.531 20.462 12.364 1.00 0.00 C ATOM 24 OG SER A 3 -18.374 21.686 11.667 1.00 0.00 O ATOM 0 H SER A 3 -20.861 20.954 12.997 1.00 0.00 H new ATOM 0 HA SER A 3 -19.726 19.751 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.687 20.661 13.424 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.617 19.873 12.281 1.00 0.00 H new ATOM 0 HG SER A 3 -17.614 22.180 12.040 1.00 0.00 H new ATOM 30 N GLY A 4 -20.055 17.314 11.305 1.00 0.00 N ATOM 31 CA GLY A 4 -19.961 15.887 11.550 1.00 0.00 C ATOM 32 C GLY A 4 -21.137 15.356 12.346 1.00 0.00 C ATOM 33 O GLY A 4 -22.006 16.120 12.766 1.00 0.00 O ATOM 0 H GLY A 4 -20.525 17.570 10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.904 15.361 10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.037 15.674 12.087 1.00 0.00 H new ATOM 37 N SER A 5 -21.165 14.043 12.552 1.00 0.00 N ATOM 38 CA SER A 5 -22.247 13.410 13.298 1.00 0.00 C ATOM 39 C SER A 5 -21.753 12.914 14.654 1.00 0.00 C ATOM 40 O SER A 5 -22.344 13.216 15.690 1.00 0.00 O ATOM 41 CB SER A 5 -22.832 12.245 12.498 1.00 0.00 C ATOM 42 OG SER A 5 -23.771 12.705 11.541 1.00 0.00 O ATOM 0 H SER A 5 -20.452 13.397 12.213 1.00 0.00 H new ATOM 0 HA SER A 5 -23.026 14.154 13.464 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.029 11.706 11.995 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.314 11.540 13.175 1.00 0.00 H new ATOM 0 HG SER A 5 -24.129 11.942 11.041 1.00 0.00 H new ATOM 48 N SER A 6 -20.665 12.150 14.637 1.00 0.00 N ATOM 49 CA SER A 6 -20.093 11.608 15.864 1.00 0.00 C ATOM 50 C SER A 6 -18.704 12.185 16.117 1.00 0.00 C ATOM 51 O SER A 6 -17.789 11.473 16.529 1.00 0.00 O ATOM 52 CB SER A 6 -20.018 10.082 15.785 1.00 0.00 C ATOM 53 OG SER A 6 -21.297 9.498 15.964 1.00 0.00 O ATOM 0 H SER A 6 -20.162 11.893 13.788 1.00 0.00 H new ATOM 0 HA SER A 6 -20.741 11.890 16.694 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.611 9.784 14.819 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.334 9.708 16.547 1.00 0.00 H new ATOM 0 HG SER A 6 -21.222 8.523 15.907 1.00 0.00 H new ATOM 59 N GLY A 7 -18.554 13.482 15.866 1.00 0.00 N ATOM 60 CA GLY A 7 -17.274 14.134 16.071 1.00 0.00 C ATOM 61 C GLY A 7 -16.425 14.154 14.816 1.00 0.00 C ATOM 62 O GLY A 7 -16.784 14.793 13.826 1.00 0.00 O ATOM 0 H GLY A 7 -19.296 14.093 15.524 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.441 15.157 16.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.731 13.620 16.865 1.00 0.00 H new ATOM 66 N CYS A 8 -15.296 13.455 14.856 1.00 0.00 N ATOM 67 CA CYS A 8 -14.392 13.397 13.712 1.00 0.00 C ATOM 68 C CYS A 8 -13.458 12.196 13.819 1.00 0.00 C ATOM 69 O CYS A 8 -13.369 11.557 14.867 1.00 0.00 O ATOM 70 CB CYS A 8 -13.575 14.686 13.615 1.00 0.00 C ATOM 71 SG CYS A 8 -12.541 15.015 15.061 1.00 0.00 S ATOM 0 H CYS A 8 -14.985 12.921 15.667 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.994 13.288 12.810 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.939 14.635 12.731 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -14.256 15.525 13.470 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.887 16.125 14.884 1.00 0.00 H new ATOM 77 N ARG A 9 -12.765 11.893 12.726 1.00 0.00 N ATOM 78 CA ARG A 9 -11.839 10.767 12.695 1.00 0.00 C ATOM 79 C ARG A 9 -10.501 11.179 12.089 1.00 0.00 C ATOM 80 O ARG A 9 -10.455 11.835 11.047 1.00 0.00 O ATOM 81 CB ARG A 9 -12.439 9.609 11.896 1.00 0.00 C ATOM 82 CG ARG A 9 -12.799 9.978 10.466 1.00 0.00 C ATOM 83 CD ARG A 9 -14.183 10.602 10.383 1.00 0.00 C ATOM 84 NE ARG A 9 -14.359 11.386 9.164 1.00 0.00 N ATOM 85 CZ ARG A 9 -15.248 12.366 9.042 1.00 0.00 C ATOM 86 NH1 ARG A 9 -16.038 12.679 10.059 1.00 0.00 N ATOM 87 NH2 ARG A 9 -15.347 13.034 7.900 1.00 0.00 N ATOM 0 H ARG A 9 -12.827 12.412 11.850 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.667 10.441 13.721 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.729 8.782 11.881 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.333 9.252 12.406 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.060 10.676 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.762 9.087 9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.937 9.816 10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.345 11.241 11.251 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.767 11.170 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.964 12.167 10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.720 13.432 9.963 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.741 12.795 7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.030 13.786 7.807 1.00 0.00 H new ATOM 101 N LEU A 10 -9.415 10.791 12.747 1.00 0.00 N ATOM 102 CA LEU A 10 -8.075 11.120 12.274 1.00 0.00 C ATOM 103 C LEU A 10 -7.705 10.279 11.056 1.00 0.00 C ATOM 104 O LEU A 10 -8.261 9.201 10.841 1.00 0.00 O ATOM 105 CB LEU A 10 -7.050 10.901 13.389 1.00 0.00 C ATOM 106 CG LEU A 10 -7.272 11.705 14.671 1.00 0.00 C ATOM 107 CD1 LEU A 10 -6.721 10.954 15.873 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.627 13.078 14.557 1.00 0.00 C ATOM 0 H LEU A 10 -9.436 10.248 13.610 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.068 12.170 11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.042 9.842 13.645 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.061 11.142 12.999 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.344 11.840 14.812 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.888 11.541 16.776 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.228 9.994 15.966 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.652 10.789 15.740 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.795 13.636 15.478 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.556 12.964 14.392 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.068 13.619 13.719 1.00 0.00 H new ATOM 120 N LEU A 11 -6.763 10.777 10.263 1.00 0.00 N ATOM 121 CA LEU A 11 -6.317 10.070 9.068 1.00 0.00 C ATOM 122 C LEU A 11 -5.749 8.700 9.425 1.00 0.00 C ATOM 123 O LEU A 11 -6.333 7.670 9.091 1.00 0.00 O ATOM 124 CB LEU A 11 -5.262 10.895 8.327 1.00 0.00 C ATOM 125 CG LEU A 11 -4.392 10.131 7.329 1.00 0.00 C ATOM 126 CD1 LEU A 11 -5.254 9.478 6.260 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.366 11.060 6.696 1.00 0.00 C ATOM 0 H LEU A 11 -6.293 11.668 10.426 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.180 9.926 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.768 11.701 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.609 11.361 9.065 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.860 9.346 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.617 8.939 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.949 8.781 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.814 10.245 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.755 10.499 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.879 11.867 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.727 11.480 7.473 1.00 0.00 H new ATOM 139 N TRP A 12 -4.609 8.698 10.106 1.00 0.00 N ATOM 140 CA TRP A 12 -3.963 7.454 10.511 1.00 0.00 C ATOM 141 C TRP A 12 -4.999 6.382 10.828 1.00 0.00 C ATOM 142 O TRP A 12 -4.838 5.220 10.453 1.00 0.00 O ATOM 143 CB TRP A 12 -3.068 7.693 11.728 1.00 0.00 C ATOM 144 CG TRP A 12 -3.818 7.693 13.026 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.146 8.781 13.783 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.331 6.550 13.719 1.00 0.00 C ATOM 147 NE1 TRP A 12 -4.832 8.383 14.905 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.960 7.019 14.889 1.00 0.00 C ATOM 149 CE3 TRP A 12 -4.323 5.176 13.464 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.571 6.163 15.800 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -4.930 4.327 14.370 1.00 0.00 C ATOM 152 CH2 TRP A 12 -5.548 4.822 15.525 1.00 0.00 C ATOM 0 H TRP A 12 -4.113 9.543 10.389 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.349 7.105 9.681 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.298 6.922 11.761 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.557 8.649 11.612 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.902 9.804 13.536 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.188 9.003 15.632 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.851 4.785 12.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.046 6.543 16.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.928 3.263 14.184 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.016 4.132 16.212 1.00 0.00 H new ATOM 163 N ASP A 13 -6.062 6.777 11.520 1.00 0.00 N ATOM 164 CA ASP A 13 -7.125 5.849 11.887 1.00 0.00 C ATOM 165 C ASP A 13 -7.815 5.295 10.644 1.00 0.00 C ATOM 166 O ASP A 13 -7.922 4.081 10.470 1.00 0.00 O ATOM 167 CB ASP A 13 -8.148 6.542 12.788 1.00 0.00 C ATOM 168 CG ASP A 13 -9.539 5.959 12.639 1.00 0.00 C ATOM 169 OD1 ASP A 13 -10.188 6.229 11.607 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.980 5.232 13.555 1.00 0.00 O ATOM 0 H ASP A 13 -6.210 7.735 11.838 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.677 5.019 12.432 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.830 6.455 13.827 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.176 7.605 12.551 1.00 0.00 H new ATOM 175 N TYR A 14 -8.283 6.193 9.784 1.00 0.00 N ATOM 176 CA TYR A 14 -8.966 5.795 8.559 1.00 0.00 C ATOM 177 C TYR A 14 -8.303 4.569 7.939 1.00 0.00 C ATOM 178 O TYR A 14 -8.949 3.781 7.249 1.00 0.00 O ATOM 179 CB TYR A 14 -8.971 6.949 7.554 1.00 0.00 C ATOM 180 CG TYR A 14 -9.160 6.503 6.122 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.432 6.348 5.585 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.068 6.237 5.306 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.610 5.941 4.277 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.236 5.831 3.997 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.509 5.684 3.487 1.00 0.00 C ATOM 186 OH TYR A 14 -9.681 5.278 2.183 1.00 0.00 O ATOM 0 H TYR A 14 -8.202 7.202 9.913 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.995 5.540 8.814 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.767 7.645 7.817 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.031 7.494 7.635 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.296 6.549 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.070 6.350 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.606 5.825 3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.376 5.630 3.376 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.638 5.223 1.981 1.00 0.00 H new ATOM 196 N VAL A 15 -7.007 4.414 8.192 1.00 0.00 N ATOM 197 CA VAL A 15 -6.255 3.283 7.662 1.00 0.00 C ATOM 198 C VAL A 15 -6.913 1.960 8.036 1.00 0.00 C ATOM 199 O VAL A 15 -7.253 1.156 7.168 1.00 0.00 O ATOM 200 CB VAL A 15 -4.803 3.284 8.175 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.024 2.122 7.579 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.126 4.609 7.856 1.00 0.00 C ATOM 0 H VAL A 15 -6.456 5.057 8.761 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.250 3.388 6.577 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.820 3.161 9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.001 2.140 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.498 1.182 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.014 2.210 6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.101 4.592 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.120 4.764 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.671 5.421 8.336 1.00 0.00 H new ATOM 212 N TYR A 16 -7.092 1.741 9.334 1.00 0.00 N ATOM 213 CA TYR A 16 -7.709 0.514 9.824 1.00 0.00 C ATOM 214 C TYR A 16 -8.989 0.204 9.056 1.00 0.00 C ATOM 215 O TYR A 16 -9.128 -0.869 8.468 1.00 0.00 O ATOM 216 CB TYR A 16 -8.014 0.634 11.318 1.00 0.00 C ATOM 217 CG TYR A 16 -8.193 -0.699 12.009 1.00 0.00 C ATOM 218 CD1 TYR A 16 -7.112 -1.550 12.210 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.442 -1.109 12.458 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.271 -2.769 12.839 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.609 -2.326 13.090 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.521 -3.153 13.278 1.00 0.00 C ATOM 223 OH TYR A 16 -8.684 -4.367 13.906 1.00 0.00 O ATOM 0 H TYR A 16 -6.819 2.397 10.066 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.006 -0.304 9.668 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.204 1.179 11.803 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.920 1.226 11.449 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.132 -1.253 11.868 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.297 -0.466 12.311 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.421 -3.419 12.986 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.587 -2.629 13.435 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.625 -4.484 14.153 1.00 0.00 H new ATOM 233 N GLN A 17 -9.922 1.151 9.064 1.00 0.00 N ATOM 234 CA GLN A 17 -11.191 0.979 8.368 1.00 0.00 C ATOM 235 C GLN A 17 -10.998 0.213 7.064 1.00 0.00 C ATOM 236 O GLN A 17 -11.795 -0.661 6.720 1.00 0.00 O ATOM 237 CB GLN A 17 -11.830 2.339 8.084 1.00 0.00 C ATOM 238 CG GLN A 17 -12.370 3.029 9.327 1.00 0.00 C ATOM 239 CD GLN A 17 -13.593 2.334 9.894 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.561 2.073 9.180 1.00 0.00 O ATOM 241 NE2 GLN A 17 -13.554 2.031 11.187 1.00 0.00 N ATOM 0 H GLN A 17 -9.822 2.045 9.545 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.854 0.401 9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.092 2.986 7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.643 2.207 7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.590 3.062 10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.623 4.061 9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.731 2.266 11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.347 1.563 11.625 1.00 0.00 H new ATOM 250 N LEU A 18 -9.934 0.545 6.341 1.00 0.00 N ATOM 251 CA LEU A 18 -9.635 -0.111 5.073 1.00 0.00 C ATOM 252 C LEU A 18 -9.167 -1.545 5.299 1.00 0.00 C ATOM 253 O LEU A 18 -9.718 -2.487 4.727 1.00 0.00 O ATOM 254 CB LEU A 18 -8.566 0.672 4.310 1.00 0.00 C ATOM 255 CG LEU A 18 -8.960 2.077 3.854 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.766 2.795 3.243 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.111 2.012 2.860 1.00 0.00 C ATOM 0 H LEU A 18 -9.264 1.265 6.611 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.550 -0.136 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.682 0.752 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.279 0.094 3.432 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.290 2.642 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.066 3.793 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.971 2.874 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.405 2.233 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.378 3.021 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.808 1.430 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.972 1.539 3.331 1.00 0.00 H new ATOM 269 N LEU A 19 -8.150 -1.704 6.139 1.00 0.00 N ATOM 270 CA LEU A 19 -7.609 -3.024 6.443 1.00 0.00 C ATOM 271 C LEU A 19 -8.728 -4.016 6.742 1.00 0.00 C ATOM 272 O LEU A 19 -8.833 -5.061 6.099 1.00 0.00 O ATOM 273 CB LEU A 19 -6.653 -2.943 7.635 1.00 0.00 C ATOM 274 CG LEU A 19 -5.193 -2.629 7.304 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.644 -3.636 6.306 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.061 -1.213 6.764 1.00 0.00 C ATOM 0 H LEU A 19 -7.684 -0.936 6.621 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.061 -3.375 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.022 -2.179 8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.688 -3.893 8.168 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.609 -2.702 8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.604 -3.397 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.703 -4.638 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.231 -3.596 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.016 -1.007 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.659 -1.112 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.414 -0.504 7.513 1.00 0.00 H new ATOM 288 N SER A 20 -9.564 -3.681 7.720 1.00 0.00 N ATOM 289 CA SER A 20 -10.676 -4.543 8.104 1.00 0.00 C ATOM 290 C SER A 20 -11.347 -5.145 6.874 1.00 0.00 C ATOM 291 O SER A 20 -11.620 -6.345 6.826 1.00 0.00 O ATOM 292 CB SER A 20 -11.699 -3.755 8.924 1.00 0.00 C ATOM 293 OG SER A 20 -11.155 -3.353 10.169 1.00 0.00 O ATOM 0 H SER A 20 -9.492 -2.819 8.261 1.00 0.00 H new ATOM 0 HA SER A 20 -10.281 -5.355 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.020 -2.877 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.585 -4.368 9.092 1.00 0.00 H new ATOM 0 HG SER A 20 -11.828 -2.850 10.673 1.00 0.00 H new ATOM 299 N ASP A 21 -11.612 -4.303 5.881 1.00 0.00 N ATOM 300 CA ASP A 21 -12.251 -4.751 4.649 1.00 0.00 C ATOM 301 C ASP A 21 -11.216 -5.282 3.662 1.00 0.00 C ATOM 302 O ASP A 21 -10.332 -4.549 3.219 1.00 0.00 O ATOM 303 CB ASP A 21 -13.039 -3.605 4.013 1.00 0.00 C ATOM 304 CG ASP A 21 -14.442 -3.485 4.574 1.00 0.00 C ATOM 305 OD1 ASP A 21 -15.052 -4.533 4.877 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.930 -2.344 4.712 1.00 0.00 O ATOM 0 H ASP A 21 -11.394 -3.307 5.905 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.938 -5.560 4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.505 -2.668 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.094 -3.760 2.935 1.00 0.00 H new ATOM 311 N SER A 22 -11.332 -6.562 3.322 1.00 0.00 N ATOM 312 CA SER A 22 -10.404 -7.193 2.392 1.00 0.00 C ATOM 313 C SER A 22 -10.546 -6.597 0.994 1.00 0.00 C ATOM 314 O SER A 22 -9.559 -6.418 0.281 1.00 0.00 O ATOM 315 CB SER A 22 -10.647 -8.703 2.341 1.00 0.00 C ATOM 316 OG SER A 22 -11.798 -9.009 1.573 1.00 0.00 O ATOM 0 H SER A 22 -12.060 -7.182 3.677 1.00 0.00 H new ATOM 0 HA SER A 22 -9.390 -7.007 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.777 -9.200 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.768 -9.089 3.353 1.00 0.00 H new ATOM 0 HG SER A 22 -11.930 -9.980 1.555 1.00 0.00 H new ATOM 322 N ARG A 23 -11.781 -6.292 0.611 1.00 0.00 N ATOM 323 CA ARG A 23 -12.054 -5.717 -0.701 1.00 0.00 C ATOM 324 C ARG A 23 -11.034 -4.636 -1.043 1.00 0.00 C ATOM 325 O ARG A 23 -10.791 -4.346 -2.215 1.00 0.00 O ATOM 326 CB ARG A 23 -13.467 -5.132 -0.741 1.00 0.00 C ATOM 327 CG ARG A 23 -14.554 -6.178 -0.924 1.00 0.00 C ATOM 328 CD ARG A 23 -15.942 -5.565 -0.815 1.00 0.00 C ATOM 329 NE ARG A 23 -16.401 -5.022 -2.091 1.00 0.00 N ATOM 330 CZ ARG A 23 -16.889 -5.770 -3.075 1.00 0.00 C ATOM 331 NH1 ARG A 23 -16.979 -7.085 -2.930 1.00 0.00 N ATOM 332 NH2 ARG A 23 -17.287 -5.203 -4.207 1.00 0.00 N ATOM 0 H ARG A 23 -12.609 -6.433 1.190 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.977 -6.512 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.652 -4.586 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.529 -4.409 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.441 -6.655 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.440 -6.958 -0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.646 -6.321 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.931 -4.773 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.344 -4.014 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.673 -7.524 -2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.354 -7.657 -3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.218 -4.192 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.661 -5.778 -4.961 1.00 0.00 H new ATOM 346 N TYR A 24 -10.441 -4.042 -0.013 1.00 0.00 N ATOM 347 CA TYR A 24 -9.450 -2.990 -0.205 1.00 0.00 C ATOM 348 C TYR A 24 -8.036 -3.533 -0.019 1.00 0.00 C ATOM 349 O TYR A 24 -7.146 -2.827 0.452 1.00 0.00 O ATOM 350 CB TYR A 24 -9.699 -1.841 0.774 1.00 0.00 C ATOM 351 CG TYR A 24 -11.065 -1.209 0.631 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.220 -1.940 0.881 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.201 0.118 0.245 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.470 -1.367 0.751 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.447 0.700 0.114 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.579 -0.047 0.367 1.00 0.00 C ATOM 357 OH TYR A 24 -14.822 0.528 0.237 1.00 0.00 O ATOM 0 H TYR A 24 -10.629 -4.271 0.963 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.546 -2.617 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.584 -2.211 1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.937 -1.076 0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.139 -2.974 1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.317 0.705 0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.357 -1.950 0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.534 1.734 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.723 1.463 -0.039 1.00 0.00 H new ATOM 367 N GLU A 25 -7.840 -4.793 -0.395 1.00 0.00 N ATOM 368 CA GLU A 25 -6.535 -5.432 -0.270 1.00 0.00 C ATOM 369 C GLU A 25 -5.571 -4.913 -1.333 1.00 0.00 C ATOM 370 O GLU A 25 -4.458 -4.491 -1.023 1.00 0.00 O ATOM 371 CB GLU A 25 -6.673 -6.952 -0.389 1.00 0.00 C ATOM 372 CG GLU A 25 -6.886 -7.650 0.944 1.00 0.00 C ATOM 373 CD GLU A 25 -6.613 -9.139 0.872 1.00 0.00 C ATOM 374 OE1 GLU A 25 -5.598 -9.528 0.257 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.414 -9.917 1.432 1.00 0.00 O ATOM 0 H GLU A 25 -8.567 -5.391 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.132 -5.187 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.510 -7.182 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.776 -7.354 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.234 -7.201 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.912 -7.488 1.275 1.00 0.00 H new ATOM 382 N ASN A 26 -6.008 -4.948 -2.588 1.00 0.00 N ATOM 383 CA ASN A 26 -5.185 -4.483 -3.698 1.00 0.00 C ATOM 384 C ASN A 26 -4.579 -3.117 -3.390 1.00 0.00 C ATOM 385 O ASN A 26 -3.434 -2.838 -3.749 1.00 0.00 O ATOM 386 CB ASN A 26 -6.016 -4.407 -4.980 1.00 0.00 C ATOM 387 CG ASN A 26 -7.004 -5.551 -5.097 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.735 -6.554 -5.758 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.157 -5.405 -4.453 1.00 0.00 N ATOM 0 H ASN A 26 -6.928 -5.294 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.374 -5.197 -3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.556 -3.460 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.350 -4.416 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.861 -6.142 -4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.338 -4.556 -3.917 1.00 0.00 H new ATOM 396 N PHE A 27 -5.354 -2.269 -2.722 1.00 0.00 N ATOM 397 CA PHE A 27 -4.894 -0.932 -2.365 1.00 0.00 C ATOM 398 C PHE A 27 -4.055 -0.966 -1.092 1.00 0.00 C ATOM 399 O PHE A 27 -3.054 -0.258 -0.975 1.00 0.00 O ATOM 400 CB PHE A 27 -6.087 0.008 -2.178 1.00 0.00 C ATOM 401 CG PHE A 27 -6.748 0.403 -3.468 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.023 1.029 -4.469 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.093 0.149 -3.679 1.00 0.00 C ATOM 404 CE1 PHE A 27 -6.627 1.394 -5.657 1.00 0.00 C ATOM 405 CE2 PHE A 27 -8.703 0.511 -4.865 1.00 0.00 C ATOM 406 CZ PHE A 27 -7.969 1.135 -5.855 1.00 0.00 C ATOM 0 H PHE A 27 -6.303 -2.484 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.271 -0.561 -3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.823 -0.475 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.753 0.907 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.973 1.234 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.672 -0.338 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.050 1.881 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.752 0.306 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.444 1.420 -6.782 1.00 0.00 H new ATOM 416 N ILE A 28 -4.470 -1.795 -0.139 1.00 0.00 N ATOM 417 CA ILE A 28 -3.757 -1.923 1.125 1.00 0.00 C ATOM 418 C ILE A 28 -4.098 -3.238 1.818 1.00 0.00 C ATOM 419 O ILE A 28 -5.268 -3.595 1.953 1.00 0.00 O ATOM 420 CB ILE A 28 -4.082 -0.755 2.076 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.374 -0.949 3.418 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.585 -0.638 2.276 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.528 0.226 4.358 1.00 0.00 C ATOM 0 H ILE A 28 -5.296 -2.388 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.693 -1.904 0.890 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.722 0.171 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.767 -1.844 3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.313 -1.123 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.799 0.191 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.067 -0.458 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.968 -1.563 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.001 0.019 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.109 1.120 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.585 0.388 4.568 1.00 0.00 H new ATOM 435 N ARG A 29 -3.067 -3.953 2.258 1.00 0.00 N ATOM 436 CA ARG A 29 -3.258 -5.228 2.939 1.00 0.00 C ATOM 437 C ARG A 29 -2.411 -5.300 4.206 1.00 0.00 C ATOM 438 O ARG A 29 -1.584 -4.425 4.462 1.00 0.00 O ATOM 439 CB ARG A 29 -2.898 -6.387 2.006 1.00 0.00 C ATOM 440 CG ARG A 29 -1.468 -6.336 1.496 1.00 0.00 C ATOM 441 CD ARG A 29 -1.326 -7.054 0.163 1.00 0.00 C ATOM 442 NE ARG A 29 0.006 -7.626 -0.012 1.00 0.00 N ATOM 443 CZ ARG A 29 0.533 -7.913 -1.197 1.00 0.00 C ATOM 444 NH1 ARG A 29 -0.156 -7.683 -2.306 1.00 0.00 N ATOM 445 NH2 ARG A 29 1.752 -8.432 -1.275 1.00 0.00 N ATOM 0 H ARG A 29 -2.092 -3.671 2.155 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.308 -5.308 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.053 -7.328 2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.579 -6.382 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.157 -5.297 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.803 -6.792 2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.072 -7.846 0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.530 -6.355 -0.648 1.00 0.00 H new ATOM 0 HE ARG A 29 0.562 -7.816 0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.093 -7.285 -2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.251 -7.904 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.285 -8.611 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.155 -8.652 -2.186 1.00 0.00 H new ATOM 459 N TRP A 30 -2.625 -6.347 4.995 1.00 0.00 N ATOM 460 CA TRP A 30 -1.882 -6.533 6.236 1.00 0.00 C ATOM 461 C TRP A 30 -0.547 -7.221 5.974 1.00 0.00 C ATOM 462 O TRP A 30 -0.507 -8.371 5.536 1.00 0.00 O ATOM 463 CB TRP A 30 -2.706 -7.352 7.230 1.00 0.00 C ATOM 464 CG TRP A 30 -3.677 -6.528 8.019 1.00 0.00 C ATOM 465 CD1 TRP A 30 -5.036 -6.656 8.037 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.363 -5.446 8.903 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.586 -5.720 8.879 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.580 -4.965 9.423 1.00 0.00 C ATOM 469 CE3 TRP A 30 -2.171 -4.837 9.307 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.638 -3.905 10.324 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.230 -3.785 10.201 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.456 -3.329 10.702 1.00 0.00 C ATOM 0 H TRP A 30 -3.307 -7.080 4.797 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.684 -5.550 6.663 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.252 -8.124 6.688 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.031 -7.862 7.917 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.597 -7.386 7.472 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.582 -5.606 9.068 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.221 -5.183 8.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.582 -3.550 10.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.315 -3.306 10.519 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.468 -2.506 11.401 1.00 0.00 H new ATOM 483 N GLU A 31 0.544 -6.511 6.244 1.00 0.00 N ATOM 484 CA GLU A 31 1.880 -7.056 6.036 1.00 0.00 C ATOM 485 C GLU A 31 2.209 -8.109 7.090 1.00 0.00 C ATOM 486 O GLU A 31 2.481 -9.265 6.765 1.00 0.00 O ATOM 487 CB GLU A 31 2.923 -5.937 6.075 1.00 0.00 C ATOM 488 CG GLU A 31 2.794 -4.944 4.932 1.00 0.00 C ATOM 489 CD GLU A 31 3.384 -5.466 3.636 1.00 0.00 C ATOM 490 OE1 GLU A 31 2.645 -6.116 2.868 1.00 0.00 O ATOM 491 OE2 GLU A 31 4.585 -5.224 3.391 1.00 0.00 O ATOM 0 H GLU A 31 0.529 -5.558 6.607 1.00 0.00 H new ATOM 0 HA GLU A 31 1.902 -7.530 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.835 -5.403 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.919 -6.379 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.741 -4.708 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.293 -4.014 5.205 1.00 0.00 H new ATOM 498 N ASP A 32 2.183 -7.701 8.354 1.00 0.00 N ATOM 499 CA ASP A 32 2.477 -8.608 9.457 1.00 0.00 C ATOM 500 C ASP A 32 1.428 -8.483 10.558 1.00 0.00 C ATOM 501 O ASP A 32 1.589 -7.707 11.499 1.00 0.00 O ATOM 502 CB ASP A 32 3.867 -8.320 10.025 1.00 0.00 C ATOM 503 CG ASP A 32 4.958 -8.447 8.980 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.687 -8.141 7.799 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.082 -8.852 9.342 1.00 0.00 O ATOM 0 H ASP A 32 1.961 -6.747 8.640 1.00 0.00 H new ATOM 0 HA ASP A 32 2.454 -9.628 9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.884 -7.313 10.443 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.071 -9.009 10.845 1.00 0.00 H new ATOM 510 N LYS A 33 0.352 -9.253 10.433 1.00 0.00 N ATOM 511 CA LYS A 33 -0.724 -9.230 11.416 1.00 0.00 C ATOM 512 C LYS A 33 -0.170 -9.356 12.832 1.00 0.00 C ATOM 513 O LYS A 33 -0.670 -8.722 13.761 1.00 0.00 O ATOM 514 CB LYS A 33 -1.716 -10.363 11.143 1.00 0.00 C ATOM 515 CG LYS A 33 -2.831 -9.977 10.185 1.00 0.00 C ATOM 516 CD LYS A 33 -4.027 -9.403 10.924 1.00 0.00 C ATOM 517 CE LYS A 33 -5.263 -9.364 10.039 1.00 0.00 C ATOM 518 NZ LYS A 33 -6.469 -8.916 10.789 1.00 0.00 N ATOM 0 H LYS A 33 0.202 -9.901 9.660 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.241 -8.274 11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.176 -11.217 10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.155 -10.686 12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.459 -9.245 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.141 -10.852 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.231 -10.004 11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.794 -8.396 11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.087 -8.692 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.442 -10.355 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.290 -8.903 10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.652 -9.572 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.308 -7.960 11.166 1.00 0.00 H new ATOM 532 N GLU A 34 0.864 -10.176 12.987 1.00 0.00 N ATOM 533 CA GLU A 34 1.485 -10.382 14.290 1.00 0.00 C ATOM 534 C GLU A 34 1.921 -9.054 14.902 1.00 0.00 C ATOM 535 O GLU A 34 1.898 -8.882 16.121 1.00 0.00 O ATOM 536 CB GLU A 34 2.689 -11.318 14.164 1.00 0.00 C ATOM 537 CG GLU A 34 3.810 -10.755 13.307 1.00 0.00 C ATOM 538 CD GLU A 34 3.685 -11.150 11.848 1.00 0.00 C ATOM 539 OE1 GLU A 34 2.703 -10.731 11.201 1.00 0.00 O ATOM 540 OE2 GLU A 34 4.571 -11.879 11.354 1.00 0.00 O ATOM 0 H GLU A 34 1.289 -10.708 12.228 1.00 0.00 H new ATOM 0 HA GLU A 34 0.746 -10.839 14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.077 -11.533 15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.359 -12.266 13.739 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.812 -9.668 13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.768 -11.104 13.693 1.00 0.00 H new ATOM 547 N SER A 35 2.319 -8.118 14.046 1.00 0.00 N ATOM 548 CA SER A 35 2.765 -6.806 14.502 1.00 0.00 C ATOM 549 C SER A 35 1.896 -5.701 13.909 1.00 0.00 C ATOM 550 O SER A 35 2.319 -4.549 13.808 1.00 0.00 O ATOM 551 CB SER A 35 4.229 -6.580 14.118 1.00 0.00 C ATOM 552 OG SER A 35 5.063 -7.580 14.679 1.00 0.00 O ATOM 0 H SER A 35 2.342 -8.243 13.034 1.00 0.00 H new ATOM 0 HA SER A 35 2.672 -6.775 15.588 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.329 -6.586 13.033 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.551 -5.597 14.463 1.00 0.00 H new ATOM 0 HG SER A 35 5.993 -7.415 14.418 1.00 0.00 H new ATOM 558 N LYS A 36 0.678 -6.060 13.519 1.00 0.00 N ATOM 559 CA LYS A 36 -0.253 -5.101 12.937 1.00 0.00 C ATOM 560 C LYS A 36 0.463 -4.167 11.967 1.00 0.00 C ATOM 561 O LYS A 36 0.266 -2.952 12.003 1.00 0.00 O ATOM 562 CB LYS A 36 -0.933 -4.286 14.039 1.00 0.00 C ATOM 563 CG LYS A 36 -2.045 -5.036 14.752 1.00 0.00 C ATOM 564 CD LYS A 36 -3.398 -4.765 14.114 1.00 0.00 C ATOM 565 CE LYS A 36 -4.530 -5.365 14.933 1.00 0.00 C ATOM 566 NZ LYS A 36 -4.649 -4.722 16.271 1.00 0.00 N ATOM 0 H LYS A 36 0.312 -7.009 13.596 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.011 -5.657 12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.184 -3.983 14.770 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.342 -3.374 13.605 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.838 -6.106 14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.070 -4.740 15.801 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.547 -3.690 14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.416 -5.181 13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.469 -5.252 14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.360 -6.434 15.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.580 -4.940 16.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.902 -5.084 16.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.548 -3.692 16.171 1.00 0.00 H new ATOM 580 N ILE A 37 1.292 -4.741 11.102 1.00 0.00 N ATOM 581 CA ILE A 37 2.034 -3.959 10.122 1.00 0.00 C ATOM 582 C ILE A 37 1.323 -3.951 8.773 1.00 0.00 C ATOM 583 O ILE A 37 1.014 -5.004 8.215 1.00 0.00 O ATOM 584 CB ILE A 37 3.463 -4.503 9.933 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.248 -4.401 11.242 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.175 -3.746 8.822 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.536 -5.194 11.238 1.00 0.00 C ATOM 0 H ILE A 37 1.467 -5.745 11.060 1.00 0.00 H new ATOM 0 HA ILE A 37 2.089 -2.941 10.507 1.00 0.00 H new ATOM 0 HB ILE A 37 3.402 -5.554 9.649 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.476 -3.353 11.438 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.619 -4.749 12.061 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.183 -4.142 8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.624 -3.865 7.889 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.229 -2.688 9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.039 -5.075 12.197 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.314 -6.248 11.073 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.184 -4.831 10.441 1.00 0.00 H new ATOM 599 N PHE A 38 1.068 -2.755 8.252 1.00 0.00 N ATOM 600 CA PHE A 38 0.394 -2.608 6.967 1.00 0.00 C ATOM 601 C PHE A 38 1.285 -1.878 5.966 1.00 0.00 C ATOM 602 O PHE A 38 2.266 -1.238 6.344 1.00 0.00 O ATOM 603 CB PHE A 38 -0.924 -1.850 7.142 1.00 0.00 C ATOM 604 CG PHE A 38 -0.758 -0.496 7.769 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.551 -0.370 9.134 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.807 0.652 6.994 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.399 0.876 9.713 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.655 1.900 7.568 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.449 2.012 8.929 1.00 0.00 C ATOM 0 H PHE A 38 1.318 -1.873 8.700 1.00 0.00 H new ATOM 0 HA PHE A 38 0.183 -3.605 6.579 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.400 -1.735 6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.598 -2.446 7.757 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.508 -1.255 9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.966 0.570 5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.241 0.961 10.778 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.697 2.787 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.327 2.986 9.379 1.00 0.00 H new ATOM 619 N ARG A 39 0.935 -1.980 4.688 1.00 0.00 N ATOM 620 CA ARG A 39 1.702 -1.332 3.632 1.00 0.00 C ATOM 621 C ARG A 39 0.793 -0.901 2.485 1.00 0.00 C ATOM 622 O ARG A 39 0.102 -1.726 1.885 1.00 0.00 O ATOM 623 CB ARG A 39 2.788 -2.274 3.110 1.00 0.00 C ATOM 624 CG ARG A 39 3.588 -1.700 1.951 1.00 0.00 C ATOM 625 CD ARG A 39 4.392 -2.777 1.241 1.00 0.00 C ATOM 626 NE ARG A 39 5.515 -2.219 0.494 1.00 0.00 N ATOM 627 CZ ARG A 39 6.088 -2.829 -0.537 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.645 -4.012 -0.942 1.00 0.00 N ATOM 629 NH2 ARG A 39 7.106 -2.257 -1.167 1.00 0.00 N ATOM 0 H ARG A 39 0.125 -2.505 4.359 1.00 0.00 H new ATOM 0 HA ARG A 39 2.173 -0.443 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.469 -2.517 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.325 -3.208 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.912 -1.223 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.261 -0.926 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.764 -3.493 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.741 -3.326 0.560 1.00 0.00 H new ATOM 0 HE ARG A 39 5.880 -1.310 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.862 -4.455 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.087 -4.478 -1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.450 -1.347 -0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.545 -2.727 -1.959 1.00 0.00 H new ATOM 643 N ILE A 40 0.798 0.393 2.186 1.00 0.00 N ATOM 644 CA ILE A 40 -0.025 0.932 1.111 1.00 0.00 C ATOM 645 C ILE A 40 0.421 0.397 -0.245 1.00 0.00 C ATOM 646 O ILE A 40 1.361 0.913 -0.850 1.00 0.00 O ATOM 647 CB ILE A 40 0.022 2.471 1.083 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.806 3.049 2.233 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.483 2.993 -0.254 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.609 4.536 2.432 1.00 0.00 C ATOM 0 H ILE A 40 1.363 1.088 2.673 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.048 0.611 1.307 1.00 0.00 H new ATOM 0 HB ILE A 40 1.057 2.790 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.861 2.853 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.545 2.530 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.443 4.082 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.144 2.604 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.512 2.667 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.226 4.877 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.439 4.738 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.898 5.066 1.524 1.00 0.00 H new ATOM 662 N VAL A 41 -0.260 -0.642 -0.719 1.00 0.00 N ATOM 663 CA VAL A 41 0.064 -1.246 -2.006 1.00 0.00 C ATOM 664 C VAL A 41 0.142 -0.192 -3.104 1.00 0.00 C ATOM 665 O VAL A 41 1.049 -0.214 -3.937 1.00 0.00 O ATOM 666 CB VAL A 41 -0.976 -2.310 -2.404 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.619 -2.930 -3.746 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.083 -3.379 -1.326 1.00 0.00 C ATOM 0 H VAL A 41 -1.040 -1.083 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 41 1.038 -1.723 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.947 -1.825 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.365 -3.679 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.597 -2.154 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.361 -3.402 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.822 -4.123 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.115 -3.862 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.389 -2.919 -0.386 1.00 0.00 H new ATOM 678 N ASP A 42 -0.813 0.731 -3.099 1.00 0.00 N ATOM 679 CA ASP A 42 -0.852 1.796 -4.095 1.00 0.00 C ATOM 680 C ASP A 42 -1.255 3.122 -3.457 1.00 0.00 C ATOM 681 O ASP A 42 -2.406 3.329 -3.073 1.00 0.00 O ATOM 682 CB ASP A 42 -1.828 1.439 -5.217 1.00 0.00 C ATOM 683 CG ASP A 42 -1.583 2.246 -6.476 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.548 3.491 -6.385 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.426 1.634 -7.554 1.00 0.00 O ATOM 0 H ASP A 42 -1.570 0.764 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 42 0.148 1.904 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.740 0.377 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.849 1.607 -4.874 1.00 0.00 H new ATOM 690 N PRO A 43 -0.286 4.041 -3.339 1.00 0.00 N ATOM 691 CA PRO A 43 -0.515 5.362 -2.747 1.00 0.00 C ATOM 692 C PRO A 43 -1.385 6.250 -3.631 1.00 0.00 C ATOM 693 O PRO A 43 -2.147 7.079 -3.135 1.00 0.00 O ATOM 694 CB PRO A 43 0.894 5.946 -2.625 1.00 0.00 C ATOM 695 CG PRO A 43 1.686 5.247 -3.675 1.00 0.00 C ATOM 696 CD PRO A 43 1.109 3.862 -3.775 1.00 0.00 C ATOM 0 HA PRO A 43 -1.047 5.296 -1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.891 7.024 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.310 5.771 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.616 5.769 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.742 5.211 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.165 3.476 -4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.642 3.158 -3.137 1.00 0.00 H new ATOM 704 N ASN A 44 -1.266 6.070 -4.942 1.00 0.00 N ATOM 705 CA ASN A 44 -2.042 6.856 -5.895 1.00 0.00 C ATOM 706 C ASN A 44 -3.513 6.455 -5.860 1.00 0.00 C ATOM 707 O ASN A 44 -4.399 7.285 -6.062 1.00 0.00 O ATOM 708 CB ASN A 44 -1.486 6.675 -7.309 1.00 0.00 C ATOM 709 CG ASN A 44 -2.033 7.703 -8.281 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.919 8.486 -7.940 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.506 7.703 -9.500 1.00 0.00 N ATOM 0 H ASN A 44 -0.640 5.387 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.963 7.906 -5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.399 6.748 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.729 5.675 -7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.834 8.371 -10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.773 7.035 -9.739 1.00 0.00 H new ATOM 718 N GLY A 45 -3.766 5.176 -5.601 1.00 0.00 N ATOM 719 CA GLY A 45 -5.132 4.687 -5.544 1.00 0.00 C ATOM 720 C GLY A 45 -5.727 4.791 -4.153 1.00 0.00 C ATOM 721 O GLY A 45 -6.914 5.080 -3.999 1.00 0.00 O ATOM 0 H GLY A 45 -3.050 4.470 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.747 5.254 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.156 3.647 -5.870 1.00 0.00 H new ATOM 725 N LEU A 46 -4.902 4.555 -3.139 1.00 0.00 N ATOM 726 CA LEU A 46 -5.354 4.623 -1.754 1.00 0.00 C ATOM 727 C LEU A 46 -5.851 6.023 -1.411 1.00 0.00 C ATOM 728 O LEU A 46 -7.017 6.212 -1.066 1.00 0.00 O ATOM 729 CB LEU A 46 -4.220 4.225 -0.807 1.00 0.00 C ATOM 730 CG LEU A 46 -4.608 4.028 0.659 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.223 5.299 1.224 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.571 2.858 0.803 1.00 0.00 C ATOM 0 H LEU A 46 -3.917 4.315 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.182 3.925 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.777 3.299 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.446 4.991 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.705 3.802 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.493 5.140 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.502 6.114 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.116 5.556 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.836 2.732 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.472 3.055 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.095 1.948 0.438 1.00 0.00 H new ATOM 744 N ALA A 47 -4.958 7.003 -1.510 1.00 0.00 N ATOM 745 CA ALA A 47 -5.306 8.387 -1.214 1.00 0.00 C ATOM 746 C ALA A 47 -6.692 8.731 -1.750 1.00 0.00 C ATOM 747 O ALA A 47 -7.510 9.324 -1.047 1.00 0.00 O ATOM 748 CB ALA A 47 -4.264 9.330 -1.798 1.00 0.00 C ATOM 0 H ALA A 47 -3.988 6.863 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.323 8.508 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.537 10.360 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.289 9.108 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.219 9.198 -2.879 1.00 0.00 H new ATOM 754 N ARG A 48 -6.948 8.355 -2.999 1.00 0.00 N ATOM 755 CA ARG A 48 -8.235 8.626 -3.630 1.00 0.00 C ATOM 756 C ARG A 48 -9.378 8.423 -2.640 1.00 0.00 C ATOM 757 O ARG A 48 -10.069 9.373 -2.269 1.00 0.00 O ATOM 758 CB ARG A 48 -8.431 7.719 -4.846 1.00 0.00 C ATOM 759 CG ARG A 48 -7.419 7.958 -5.954 1.00 0.00 C ATOM 760 CD ARG A 48 -7.646 9.298 -6.636 1.00 0.00 C ATOM 761 NE ARG A 48 -8.858 9.300 -7.450 1.00 0.00 N ATOM 762 CZ ARG A 48 -8.903 8.862 -8.703 1.00 0.00 C ATOM 763 NH1 ARG A 48 -7.809 8.389 -9.283 1.00 0.00 N ATOM 764 NH2 ARG A 48 -10.045 8.896 -9.378 1.00 0.00 N ATOM 0 H ARG A 48 -6.282 7.862 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.241 9.666 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.368 6.679 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.435 7.870 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.411 7.925 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.488 7.157 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.715 10.082 -5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.787 9.535 -7.264 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.718 9.658 -7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.930 8.361 -8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.846 8.053 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.889 9.259 -8.935 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.079 8.559 -10.340 1.00 0.00 H new ATOM 778 N LEU A 49 -9.574 7.179 -2.217 1.00 0.00 N ATOM 779 CA LEU A 49 -10.634 6.850 -1.270 1.00 0.00 C ATOM 780 C LEU A 49 -10.629 7.816 -0.090 1.00 0.00 C ATOM 781 O LEU A 49 -11.676 8.319 0.318 1.00 0.00 O ATOM 782 CB LEU A 49 -10.471 5.414 -0.770 1.00 0.00 C ATOM 783 CG LEU A 49 -10.409 4.331 -1.847 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.857 3.036 -1.271 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.786 4.103 -2.454 1.00 0.00 C ATOM 0 H LEU A 49 -9.013 6.381 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.590 6.941 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.559 5.359 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.302 5.187 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.737 4.669 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.820 2.277 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.852 3.209 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.502 2.693 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.723 3.329 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.480 3.787 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.143 5.029 -2.904 1.00 0.00 H new ATOM 797 N TRP A 50 -9.444 8.071 0.453 1.00 0.00 N ATOM 798 CA TRP A 50 -9.302 8.979 1.586 1.00 0.00 C ATOM 799 C TRP A 50 -9.792 10.377 1.228 1.00 0.00 C ATOM 800 O TRP A 50 -10.417 11.054 2.043 1.00 0.00 O ATOM 801 CB TRP A 50 -7.843 9.037 2.040 1.00 0.00 C ATOM 802 CG TRP A 50 -7.523 10.251 2.858 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.908 11.391 2.427 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.801 10.444 4.250 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.787 12.282 3.466 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.327 11.725 4.595 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.405 9.661 5.237 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.439 12.237 5.885 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.515 10.170 6.517 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.035 11.449 6.831 1.00 0.00 C ATOM 0 H TRP A 50 -8.568 7.662 0.127 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.914 8.598 2.403 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.616 8.145 2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.196 9.018 1.163 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.567 11.567 1.418 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.364 13.208 3.406 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.779 8.675 5.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.068 13.221 6.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.978 9.573 7.288 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.138 11.820 7.840 1.00 0.00 H new ATOM 821 N GLY A 51 -9.505 10.805 0.002 1.00 0.00 N ATOM 822 CA GLY A 51 -9.924 12.121 -0.442 1.00 0.00 C ATOM 823 C GLY A 51 -11.342 12.127 -0.980 1.00 0.00 C ATOM 824 O GLY A 51 -11.961 13.183 -1.102 1.00 0.00 O ATOM 0 H GLY A 51 -8.990 10.263 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.851 12.822 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.243 12.474 -1.217 1.00 0.00 H new ATOM 828 N ASN A 52 -11.855 10.945 -1.304 1.00 0.00 N ATOM 829 CA ASN A 52 -13.208 10.819 -1.833 1.00 0.00 C ATOM 830 C ASN A 52 -14.244 11.175 -0.771 1.00 0.00 C ATOM 831 O ASN A 52 -15.017 12.119 -0.935 1.00 0.00 O ATOM 832 CB ASN A 52 -13.449 9.395 -2.340 1.00 0.00 C ATOM 833 CG ASN A 52 -13.128 9.244 -3.814 1.00 0.00 C ATOM 834 OD1 ASN A 52 -13.949 8.759 -4.593 1.00 0.00 O ATOM 835 ND2 ASN A 52 -11.928 9.659 -4.204 1.00 0.00 N ATOM 0 H ASN A 52 -11.355 10.061 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.312 11.516 -2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.838 8.699 -1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.490 9.122 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.655 9.582 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.279 10.055 -3.524 1.00 0.00 H new ATOM 842 N HIS A 53 -14.252 10.413 0.318 1.00 0.00 N ATOM 843 CA HIS A 53 -15.192 10.648 1.408 1.00 0.00 C ATOM 844 C HIS A 53 -14.959 12.017 2.041 1.00 0.00 C ATOM 845 O HIS A 53 -15.905 12.748 2.332 1.00 0.00 O ATOM 846 CB HIS A 53 -15.060 9.555 2.469 1.00 0.00 C ATOM 847 CG HIS A 53 -14.043 9.863 3.524 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.855 9.175 3.648 1.00 0.00 N ATOM 849 CD2 HIS A 53 -14.042 10.794 4.507 1.00 0.00 C ATOM 850 CE1 HIS A 53 -12.167 9.667 4.663 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.865 10.651 5.200 1.00 0.00 N ATOM 0 H HIS A 53 -13.619 9.628 0.469 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.201 10.624 0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.029 9.403 2.944 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.793 8.617 1.981 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.554 8.406 3.049 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.821 11.514 4.708 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.199 9.323 4.997 1.00 0.00 H new ATOM 860 N LYS A 54 -13.692 12.358 2.251 1.00 0.00 N ATOM 861 CA LYS A 54 -13.332 13.639 2.848 1.00 0.00 C ATOM 862 C LYS A 54 -13.863 14.798 2.011 1.00 0.00 C ATOM 863 O LYS A 54 -13.839 15.950 2.442 1.00 0.00 O ATOM 864 CB LYS A 54 -11.813 13.751 2.988 1.00 0.00 C ATOM 865 CG LYS A 54 -11.370 14.519 4.222 1.00 0.00 C ATOM 866 CD LYS A 54 -11.859 13.854 5.497 1.00 0.00 C ATOM 867 CE LYS A 54 -10.894 14.082 6.650 1.00 0.00 C ATOM 868 NZ LYS A 54 -11.225 13.232 7.827 1.00 0.00 N ATOM 0 H LYS A 54 -12.896 11.764 2.016 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.786 13.691 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.385 12.749 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.410 14.241 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.282 14.586 4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.751 15.539 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.841 14.247 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.979 12.784 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.878 13.866 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.919 15.132 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.544 13.417 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.186 13.455 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.177 12.229 7.556 1.00 0.00 H new ATOM 882 N ASN A 55 -14.344 14.484 0.812 1.00 0.00 N ATOM 883 CA ASN A 55 -14.882 15.500 -0.086 1.00 0.00 C ATOM 884 C ASN A 55 -13.807 16.512 -0.469 1.00 0.00 C ATOM 885 O ASN A 55 -14.034 17.721 -0.424 1.00 0.00 O ATOM 886 CB ASN A 55 -16.063 16.217 0.572 1.00 0.00 C ATOM 887 CG ASN A 55 -17.345 15.411 0.496 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.630 14.772 -0.517 1.00 0.00 O ATOM 889 ND2 ASN A 55 -18.125 15.437 1.570 1.00 0.00 N ATOM 0 H ASN A 55 -14.372 13.535 0.440 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.227 15.003 -0.993 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.826 16.419 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.214 17.182 0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -19.000 14.913 1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.849 15.981 2.388 1.00 0.00 H new ATOM 896 N ARG A 56 -12.636 16.009 -0.845 1.00 0.00 N ATOM 897 CA ARG A 56 -11.525 16.869 -1.235 1.00 0.00 C ATOM 898 C ARG A 56 -11.334 16.858 -2.749 1.00 0.00 C ATOM 899 O ARG A 56 -12.026 16.135 -3.468 1.00 0.00 O ATOM 900 CB ARG A 56 -10.236 16.418 -0.545 1.00 0.00 C ATOM 901 CG ARG A 56 -9.987 17.104 0.789 1.00 0.00 C ATOM 902 CD ARG A 56 -11.210 17.029 1.690 1.00 0.00 C ATOM 903 NE ARG A 56 -12.098 18.173 1.505 1.00 0.00 N ATOM 904 CZ ARG A 56 -11.931 19.340 2.118 1.00 0.00 C ATOM 905 NH1 ARG A 56 -10.915 19.515 2.952 1.00 0.00 N ATOM 906 NH2 ARG A 56 -12.782 20.334 1.898 1.00 0.00 N ATOM 0 H ARG A 56 -12.432 15.011 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.760 17.887 -0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.276 15.340 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.392 16.612 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.137 16.637 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.722 18.148 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.757 16.109 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.891 16.983 2.731 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.890 18.071 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.259 18.753 3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.789 20.412 3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.565 20.203 1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.653 21.229 2.369 1.00 0.00 H new ATOM 920 N THR A 57 -10.391 17.663 -3.228 1.00 0.00 N ATOM 921 CA THR A 57 -10.111 17.748 -4.655 1.00 0.00 C ATOM 922 C THR A 57 -8.649 17.431 -4.948 1.00 0.00 C ATOM 923 O THR A 57 -7.746 18.061 -4.400 1.00 0.00 O ATOM 924 CB THR A 57 -10.442 19.145 -5.211 1.00 0.00 C ATOM 925 OG1 THR A 57 -11.804 19.478 -4.919 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.213 19.198 -6.714 1.00 0.00 C ATOM 0 H THR A 57 -9.808 18.266 -2.647 1.00 0.00 H new ATOM 0 HA THR A 57 -10.746 17.010 -5.146 1.00 0.00 H new ATOM 0 HB THR A 57 -9.781 19.868 -4.733 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.006 20.369 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.454 20.195 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.169 18.973 -6.931 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.852 18.465 -7.206 1.00 0.00 H new ATOM 934 N ASN A 58 -8.423 16.449 -5.815 1.00 0.00 N ATOM 935 CA ASN A 58 -7.069 16.049 -6.181 1.00 0.00 C ATOM 936 C ASN A 58 -6.285 15.596 -4.953 1.00 0.00 C ATOM 937 O ASN A 58 -5.146 16.012 -4.743 1.00 0.00 O ATOM 938 CB ASN A 58 -6.340 17.206 -6.867 1.00 0.00 C ATOM 939 CG ASN A 58 -4.961 16.811 -7.357 1.00 0.00 C ATOM 940 OD1 ASN A 58 -4.568 15.647 -7.268 1.00 0.00 O ATOM 941 ND2 ASN A 58 -4.218 17.781 -7.878 1.00 0.00 N ATOM 0 H ASN A 58 -9.160 15.916 -6.277 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.140 15.211 -6.875 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.935 17.558 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.250 18.039 -6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.281 17.575 -8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.585 18.731 -7.932 1.00 0.00 H new ATOM 948 N MET A 59 -6.904 14.742 -4.145 1.00 0.00 N ATOM 949 CA MET A 59 -6.263 14.231 -2.938 1.00 0.00 C ATOM 950 C MET A 59 -5.006 13.440 -3.283 1.00 0.00 C ATOM 951 O MET A 59 -5.080 12.356 -3.861 1.00 0.00 O ATOM 952 CB MET A 59 -7.236 13.348 -2.153 1.00 0.00 C ATOM 953 CG MET A 59 -6.624 12.731 -0.906 1.00 0.00 C ATOM 954 SD MET A 59 -6.102 13.968 0.297 1.00 0.00 S ATOM 955 CE MET A 59 -7.686 14.605 0.837 1.00 0.00 C ATOM 0 H MET A 59 -7.848 14.389 -4.303 1.00 0.00 H new ATOM 0 HA MET A 59 -5.977 15.082 -2.321 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.103 13.943 -1.866 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.597 12.551 -2.803 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.350 12.063 -0.442 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.766 12.122 -1.190 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.574 15.645 1.145 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.401 14.544 0.017 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.048 14.014 1.678 1.00 0.00 H new ATOM 965 N THR A 60 -3.849 13.990 -2.926 1.00 0.00 N ATOM 966 CA THR A 60 -2.575 13.337 -3.199 1.00 0.00 C ATOM 967 C THR A 60 -2.069 12.585 -1.974 1.00 0.00 C ATOM 968 O THR A 60 -2.653 12.674 -0.893 1.00 0.00 O ATOM 969 CB THR A 60 -1.506 14.354 -3.641 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.807 14.858 -2.497 1.00 0.00 O ATOM 971 CG2 THR A 60 -2.139 15.508 -4.404 1.00 0.00 C ATOM 0 H THR A 60 -3.769 14.887 -2.447 1.00 0.00 H new ATOM 0 HA THR A 60 -2.750 12.629 -4.009 1.00 0.00 H new ATOM 0 HB THR A 60 -0.803 13.845 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.128 15.503 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.364 16.213 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.645 15.124 -5.290 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.861 16.015 -3.764 1.00 0.00 H new ATOM 979 N TYR A 61 -0.981 11.843 -2.148 1.00 0.00 N ATOM 980 CA TYR A 61 -0.397 11.073 -1.056 1.00 0.00 C ATOM 981 C TYR A 61 0.437 11.968 -0.144 1.00 0.00 C ATOM 982 O TYR A 61 0.406 11.827 1.078 1.00 0.00 O ATOM 983 CB TYR A 61 0.469 9.940 -1.609 1.00 0.00 C ATOM 984 CG TYR A 61 0.970 8.988 -0.548 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.089 8.376 0.336 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.324 8.701 -0.427 1.00 0.00 C ATOM 987 CE1 TYR A 61 0.543 7.505 1.308 1.00 0.00 C ATOM 988 CE2 TYR A 61 2.786 7.830 0.541 1.00 0.00 C ATOM 989 CZ TYR A 61 1.892 7.235 1.406 1.00 0.00 C ATOM 990 OH TYR A 61 2.348 6.369 2.373 1.00 0.00 O ATOM 0 H TYR A 61 -0.485 11.758 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.211 10.646 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.107 9.380 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.323 10.369 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.968 8.585 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.028 9.167 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.155 7.038 1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.842 7.616 0.620 1.00 0.00 H new ATOM 0 HH TYR A 61 1.846 6.511 3.203 1.00 0.00 H new ATOM 1000 N GLU A 62 1.182 12.888 -0.749 1.00 0.00 N ATOM 1001 CA GLU A 62 2.025 13.806 0.008 1.00 0.00 C ATOM 1002 C GLU A 62 1.207 14.562 1.051 1.00 0.00 C ATOM 1003 O GLU A 62 1.661 14.781 2.174 1.00 0.00 O ATOM 1004 CB GLU A 62 2.713 14.797 -0.934 1.00 0.00 C ATOM 1005 CG GLU A 62 3.576 15.820 -0.215 1.00 0.00 C ATOM 1006 CD GLU A 62 2.784 17.025 0.255 1.00 0.00 C ATOM 1007 OE1 GLU A 62 2.106 17.654 -0.584 1.00 0.00 O ATOM 1008 OE2 GLU A 62 2.842 17.338 1.462 1.00 0.00 O ATOM 0 H GLU A 62 1.219 13.017 -1.760 1.00 0.00 H new ATOM 0 HA GLU A 62 2.785 13.219 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.332 14.244 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.954 15.319 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.054 15.347 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.372 16.151 -0.882 1.00 0.00 H new ATOM 1015 N LYS A 63 -0.003 14.958 0.671 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.887 15.689 1.571 1.00 0.00 C ATOM 1017 C LYS A 63 -1.461 14.765 2.639 1.00 0.00 C ATOM 1018 O LYS A 63 -1.902 15.219 3.695 1.00 0.00 O ATOM 1019 CB LYS A 63 -2.024 16.344 0.783 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.567 17.487 -0.107 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.453 17.626 -1.334 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.703 18.438 -1.030 1.00 0.00 C ATOM 1023 NZ LYS A 63 -4.852 18.027 -1.884 1.00 0.00 N ATOM 0 H LYS A 63 -0.394 14.785 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.301 16.465 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.511 15.588 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.772 16.716 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.580 18.418 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.536 17.317 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.892 18.106 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.739 16.637 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.969 18.316 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.495 19.497 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.685 18.603 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.608 18.167 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.067 17.023 -1.717 1.00 0.00 H new ATOM 1037 N MET A 64 -1.452 13.466 2.358 1.00 0.00 N ATOM 1038 CA MET A 64 -1.970 12.477 3.297 1.00 0.00 C ATOM 1039 C MET A 64 -0.886 12.039 4.277 1.00 0.00 C ATOM 1040 O MET A 64 -0.981 12.296 5.478 1.00 0.00 O ATOM 1041 CB MET A 64 -2.514 11.262 2.543 1.00 0.00 C ATOM 1042 CG MET A 64 -3.561 10.483 3.322 1.00 0.00 C ATOM 1043 SD MET A 64 -4.393 9.240 2.315 1.00 0.00 S ATOM 1044 CE MET A 64 -3.259 7.863 2.472 1.00 0.00 C ATOM 0 H MET A 64 -1.092 13.074 1.488 1.00 0.00 H new ATOM 0 HA MET A 64 -2.781 12.938 3.861 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.947 11.594 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.686 10.597 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.087 9.997 4.174 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.301 11.176 3.722 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.971 7.514 1.480 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.370 8.184 3.016 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.744 7.052 3.015 1.00 0.00 H new ATOM 1054 N SER A 65 0.142 11.375 3.758 1.00 0.00 N ATOM 1055 CA SER A 65 1.241 10.897 4.589 1.00 0.00 C ATOM 1056 C SER A 65 1.605 11.927 5.654 1.00 0.00 C ATOM 1057 O SER A 65 2.127 11.582 6.714 1.00 0.00 O ATOM 1058 CB SER A 65 2.465 10.587 3.724 1.00 0.00 C ATOM 1059 OG SER A 65 2.803 11.693 2.905 1.00 0.00 O ATOM 0 H SER A 65 0.237 11.156 2.766 1.00 0.00 H new ATOM 0 HA SER A 65 0.916 9.984 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.310 10.331 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.262 9.717 3.100 1.00 0.00 H new ATOM 0 HG SER A 65 2.113 11.816 2.221 1.00 0.00 H new ATOM 1065 N ARG A 66 1.326 13.194 5.363 1.00 0.00 N ATOM 1066 CA ARG A 66 1.624 14.275 6.294 1.00 0.00 C ATOM 1067 C ARG A 66 1.227 13.893 7.717 1.00 0.00 C ATOM 1068 O ARG A 66 2.024 14.009 8.647 1.00 0.00 O ATOM 1069 CB ARG A 66 0.895 15.553 5.876 1.00 0.00 C ATOM 1070 CG ARG A 66 1.688 16.418 4.910 1.00 0.00 C ATOM 1071 CD ARG A 66 2.694 17.292 5.642 1.00 0.00 C ATOM 1072 NE ARG A 66 3.376 18.216 4.740 1.00 0.00 N ATOM 1073 CZ ARG A 66 2.874 19.389 4.372 1.00 0.00 C ATOM 1074 NH1 ARG A 66 1.691 19.780 4.827 1.00 0.00 N ATOM 1075 NH2 ARG A 66 3.555 20.174 3.547 1.00 0.00 N ATOM 0 H ARG A 66 0.894 13.496 4.490 1.00 0.00 H new ATOM 0 HA ARG A 66 2.699 14.454 6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.055 15.285 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.663 16.137 6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.209 15.782 4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.005 17.047 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.183 17.857 6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.431 16.660 6.138 1.00 0.00 H new ATOM 0 HE ARG A 66 4.288 17.945 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.165 19.179 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.308 20.682 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.465 19.877 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.169 21.075 3.265 1.00 0.00 H new ATOM 1089 N ALA A 67 -0.011 13.436 7.878 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.514 13.036 9.186 1.00 0.00 C ATOM 1091 C ALA A 67 0.349 11.934 9.791 1.00 0.00 C ATOM 1092 O ALA A 67 1.010 12.138 10.811 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.960 12.577 9.078 1.00 0.00 C ATOM 0 H ALA A 67 -0.684 13.334 7.118 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.468 13.902 9.846 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.322 12.281 10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.573 13.393 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.022 11.727 8.398 1.00 0.00 H new ATOM 1099 N LEU A 68 0.338 10.765 9.159 1.00 0.00 N ATOM 1100 CA LEU A 68 1.120 9.630 9.636 1.00 0.00 C ATOM 1101 C LEU A 68 2.444 10.093 10.235 1.00 0.00 C ATOM 1102 O LEU A 68 2.827 9.666 11.324 1.00 0.00 O ATOM 1103 CB LEU A 68 1.380 8.648 8.492 1.00 0.00 C ATOM 1104 CG LEU A 68 0.165 7.866 7.989 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.766 7.527 9.142 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.573 8.658 6.920 1.00 0.00 C ATOM 0 H LEU A 68 -0.204 10.579 8.315 1.00 0.00 H new ATOM 0 HA LEU A 68 0.547 9.128 10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.803 9.202 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.137 7.934 8.817 1.00 0.00 H new ATOM 0 HG LEU A 68 0.515 6.934 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.624 6.971 8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.233 6.920 9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.109 8.447 9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.434 8.087 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.911 9.606 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.097 8.849 6.081 1.00 0.00 H new ATOM 1118 N ARG A 69 3.137 10.971 9.517 1.00 0.00 N ATOM 1119 CA ARG A 69 4.418 11.493 9.978 1.00 0.00 C ATOM 1120 C ARG A 69 4.278 12.142 11.352 1.00 0.00 C ATOM 1121 O ARG A 69 4.821 11.649 12.341 1.00 0.00 O ATOM 1122 CB ARG A 69 4.968 12.509 8.976 1.00 0.00 C ATOM 1123 CG ARG A 69 6.470 12.720 9.085 1.00 0.00 C ATOM 1124 CD ARG A 69 7.240 11.603 8.399 1.00 0.00 C ATOM 1125 NE ARG A 69 8.684 11.816 8.460 1.00 0.00 N ATOM 1126 CZ ARG A 69 9.577 10.843 8.324 1.00 0.00 C ATOM 1127 NH1 ARG A 69 9.177 9.595 8.119 1.00 0.00 N ATOM 1128 NH2 ARG A 69 10.874 11.116 8.391 1.00 0.00 N ATOM 0 H ARG A 69 2.833 11.336 8.614 1.00 0.00 H new ATOM 0 HA ARG A 69 5.115 10.658 10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.729 12.177 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.464 13.464 9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.738 13.677 8.637 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.756 12.769 10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.994 10.651 8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.927 11.534 7.357 1.00 0.00 H new ATOM 0 HE ARG A 69 9.025 12.765 8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.181 9.381 8.065 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.865 8.849 8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.186 12.074 8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.559 10.367 8.286 1.00 0.00 H new ATOM 1142 N HIS A 70 3.545 13.250 11.406 1.00 0.00 N ATOM 1143 CA HIS A 70 3.334 13.966 12.658 1.00 0.00 C ATOM 1144 C HIS A 70 3.079 12.992 13.805 1.00 0.00 C ATOM 1145 O HIS A 70 3.463 13.248 14.947 1.00 0.00 O ATOM 1146 CB HIS A 70 2.157 14.933 12.525 1.00 0.00 C ATOM 1147 CG HIS A 70 2.553 16.297 12.050 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.833 17.340 12.907 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.717 16.786 10.799 1.00 0.00 C ATOM 1150 CE1 HIS A 70 3.151 18.412 12.203 1.00 0.00 C ATOM 1151 NE2 HIS A 70 3.089 18.102 10.921 1.00 0.00 N ATOM 0 H HIS A 70 3.088 13.671 10.597 1.00 0.00 H new ATOM 0 HA HIS A 70 4.238 14.533 12.880 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.429 14.513 11.831 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.661 15.024 13.491 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.581 16.242 9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.416 19.378 12.607 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.285 18.737 10.147 1.00 0.00 H new ATOM 1160 N TYR A 71 2.431 11.876 13.493 1.00 0.00 N ATOM 1161 CA TYR A 71 2.123 10.865 14.498 1.00 0.00 C ATOM 1162 C TYR A 71 3.366 10.057 14.858 1.00 0.00 C ATOM 1163 O TYR A 71 3.549 9.657 16.007 1.00 0.00 O ATOM 1164 CB TYR A 71 1.023 9.931 13.991 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.277 10.638 13.679 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -0.742 11.667 14.489 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.039 10.277 12.576 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -1.929 12.316 14.209 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.227 10.922 12.286 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.667 11.940 13.106 1.00 0.00 C ATOM 1171 OH TYR A 71 -3.850 12.583 12.822 1.00 0.00 O ATOM 0 H TYR A 71 2.109 11.648 12.553 1.00 0.00 H new ATOM 0 HA TYR A 71 1.772 11.376 15.395 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.375 9.423 13.093 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.837 9.162 14.741 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.165 11.965 15.352 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.698 9.479 11.934 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.277 13.113 14.850 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.807 10.631 11.423 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.245 12.199 12.012 1.00 0.00 H new ATOM 1181 N TYR A 72 4.218 9.822 13.866 1.00 0.00 N ATOM 1182 CA TYR A 72 5.444 9.061 14.075 1.00 0.00 C ATOM 1183 C TYR A 72 6.149 9.506 15.352 1.00 0.00 C ATOM 1184 O TYR A 72 6.458 8.691 16.222 1.00 0.00 O ATOM 1185 CB TYR A 72 6.381 9.225 12.878 1.00 0.00 C ATOM 1186 CG TYR A 72 5.842 8.623 11.600 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.650 7.907 11.594 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.523 8.769 10.398 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.154 7.355 10.429 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.033 8.222 9.228 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.849 7.516 9.249 1.00 0.00 C ATOM 1192 OH TYR A 72 4.358 6.968 8.086 1.00 0.00 O ATOM 0 H TYR A 72 4.082 10.148 12.909 1.00 0.00 H new ATOM 0 HA TYR A 72 5.176 8.009 14.177 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.570 10.286 12.718 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.340 8.762 13.112 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.102 7.780 12.516 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.452 9.320 10.378 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.227 6.801 10.442 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.574 8.347 8.302 1.00 0.00 H new ATOM 0 HH TYR A 72 4.676 6.045 7.999 1.00 0.00 H new ATOM 1202 N LYS A 73 6.402 10.806 15.459 1.00 0.00 N ATOM 1203 CA LYS A 73 7.070 11.363 16.629 1.00 0.00 C ATOM 1204 C LYS A 73 6.282 11.061 17.900 1.00 0.00 C ATOM 1205 O LYS A 73 6.851 10.968 18.988 1.00 0.00 O ATOM 1206 CB LYS A 73 7.245 12.875 16.471 1.00 0.00 C ATOM 1207 CG LYS A 73 8.347 13.262 15.500 1.00 0.00 C ATOM 1208 CD LYS A 73 7.825 13.362 14.077 1.00 0.00 C ATOM 1209 CE LYS A 73 8.827 14.054 13.164 1.00 0.00 C ATOM 1210 NZ LYS A 73 8.186 14.557 11.917 1.00 0.00 N ATOM 0 H LYS A 73 6.154 11.494 14.748 1.00 0.00 H new ATOM 0 HA LYS A 73 8.052 10.897 16.712 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.304 13.307 16.131 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.462 13.311 17.446 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.778 14.218 15.799 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.148 12.524 15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.612 12.364 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.884 13.913 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.289 14.886 13.696 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.625 13.358 12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.797 14.345 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.265 14.092 11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.048 15.585 11.988 1.00 0.00 H new ATOM 1224 N LEU A 74 4.970 10.908 17.755 1.00 0.00 N ATOM 1225 CA LEU A 74 4.103 10.616 18.891 1.00 0.00 C ATOM 1226 C LEU A 74 4.143 9.131 19.238 1.00 0.00 C ATOM 1227 O LEU A 74 3.322 8.643 20.013 1.00 0.00 O ATOM 1228 CB LEU A 74 2.666 11.041 18.585 1.00 0.00 C ATOM 1229 CG LEU A 74 2.333 12.511 18.841 1.00 0.00 C ATOM 1230 CD1 LEU A 74 1.235 12.982 17.900 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.919 12.719 20.291 1.00 0.00 C ATOM 0 H LEU A 74 4.483 10.981 16.862 1.00 0.00 H new ATOM 0 HA LEU A 74 4.467 11.181 19.749 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.457 10.819 17.538 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.992 10.427 19.182 1.00 0.00 H new ATOM 0 HG LEU A 74 3.227 13.104 18.649 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.012 14.030 18.097 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.567 12.870 16.868 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.338 12.384 18.059 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.686 13.771 20.455 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.039 12.114 20.509 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.736 12.421 20.949 1.00 0.00 H new ATOM 1243 N ASN A 75 5.105 8.419 18.659 1.00 0.00 N ATOM 1244 CA ASN A 75 5.252 6.989 18.908 1.00 0.00 C ATOM 1245 C ASN A 75 3.968 6.242 18.565 1.00 0.00 C ATOM 1246 O ASN A 75 3.539 5.354 19.302 1.00 0.00 O ATOM 1247 CB ASN A 75 5.625 6.742 20.372 1.00 0.00 C ATOM 1248 CG ASN A 75 7.093 7.002 20.647 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.652 8.004 20.200 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.726 6.098 21.386 1.00 0.00 N ATOM 0 H ASN A 75 5.794 8.808 18.015 1.00 0.00 H new ATOM 0 HA ASN A 75 6.050 6.614 18.268 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.019 7.384 21.012 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.386 5.712 20.636 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.715 6.219 21.604 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.223 5.282 21.736 1.00 0.00 H new ATOM 1257 N ILE A 76 3.360 6.606 17.441 1.00 0.00 N ATOM 1258 CA ILE A 76 2.126 5.969 17.000 1.00 0.00 C ATOM 1259 C ILE A 76 2.380 5.037 15.820 1.00 0.00 C ATOM 1260 O ILE A 76 1.802 3.952 15.737 1.00 0.00 O ATOM 1261 CB ILE A 76 1.066 7.012 16.596 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.754 7.936 17.775 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.198 6.321 16.109 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.403 8.874 17.517 1.00 0.00 C ATOM 0 H ILE A 76 3.702 7.339 16.819 1.00 0.00 H new ATOM 0 HA ILE A 76 1.751 5.390 17.844 1.00 0.00 H new ATOM 0 HB ILE A 76 1.464 7.616 15.780 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.531 7.329 18.653 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.642 8.523 18.011 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.937 7.071 15.827 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.037 5.700 15.244 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.601 5.696 16.906 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.568 9.499 18.395 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.174 9.506 16.659 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.303 8.294 17.311 1.00 0.00 H new ATOM 1276 N ILE A 77 3.249 5.466 14.911 1.00 0.00 N ATOM 1277 CA ILE A 77 3.583 4.668 13.737 1.00 0.00 C ATOM 1278 C ILE A 77 5.064 4.785 13.395 1.00 0.00 C ATOM 1279 O ILE A 77 5.667 5.846 13.561 1.00 0.00 O ATOM 1280 CB ILE A 77 2.750 5.092 12.513 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.257 4.914 12.798 1.00 0.00 C ATOM 1282 CG2 ILE A 77 3.161 4.288 11.289 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.371 5.814 11.966 1.00 0.00 C ATOM 0 H ILE A 77 3.735 6.361 14.965 1.00 0.00 H new ATOM 0 HA ILE A 77 3.351 3.632 13.984 1.00 0.00 H new ATOM 0 HB ILE A 77 2.938 6.146 12.311 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.982 3.876 12.614 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.071 5.110 13.854 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.564 4.599 10.432 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.216 4.461 11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.998 3.227 11.479 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.673 5.633 12.221 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.619 6.856 12.168 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.528 5.602 10.908 1.00 0.00 H new ATOM 1295 N ARG A 78 5.643 3.690 12.916 1.00 0.00 N ATOM 1296 CA ARG A 78 7.054 3.670 12.549 1.00 0.00 C ATOM 1297 C ARG A 78 7.228 3.332 11.072 1.00 0.00 C ATOM 1298 O ARG A 78 6.868 2.242 10.626 1.00 0.00 O ATOM 1299 CB ARG A 78 7.812 2.655 13.408 1.00 0.00 C ATOM 1300 CG ARG A 78 8.367 3.241 14.696 1.00 0.00 C ATOM 1301 CD ARG A 78 9.579 2.464 15.184 1.00 0.00 C ATOM 1302 NE ARG A 78 10.256 3.143 16.287 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.530 2.939 16.604 1.00 0.00 C ATOM 1304 NH1 ARG A 78 12.261 2.081 15.905 1.00 0.00 N ATOM 1305 NH2 ARG A 78 12.075 3.594 17.621 1.00 0.00 N ATOM 0 H ARG A 78 5.157 2.805 12.773 1.00 0.00 H new ATOM 0 HA ARG A 78 7.463 4.665 12.727 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.145 1.829 13.653 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.633 2.239 12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.643 4.283 14.534 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.594 3.232 15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.267 1.471 15.506 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.278 2.327 14.359 1.00 0.00 H new ATOM 0 HE ARG A 78 9.721 3.810 16.844 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.845 1.576 15.122 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.239 1.926 16.150 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.516 4.255 18.160 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.053 3.437 17.864 1.00 0.00 H new ATOM 1319 N LYS A 79 7.781 4.274 10.315 1.00 0.00 N ATOM 1320 CA LYS A 79 8.003 4.077 8.888 1.00 0.00 C ATOM 1321 C LYS A 79 9.326 3.359 8.637 1.00 0.00 C ATOM 1322 O LYS A 79 10.374 3.993 8.525 1.00 0.00 O ATOM 1323 CB LYS A 79 7.996 5.423 8.159 1.00 0.00 C ATOM 1324 CG LYS A 79 8.030 5.296 6.646 1.00 0.00 C ATOM 1325 CD LYS A 79 7.850 6.644 5.969 1.00 0.00 C ATOM 1326 CE LYS A 79 7.722 6.498 4.460 1.00 0.00 C ATOM 1327 NZ LYS A 79 8.040 7.768 3.751 1.00 0.00 N ATOM 0 H LYS A 79 8.084 5.182 10.667 1.00 0.00 H new ATOM 0 HA LYS A 79 7.194 3.457 8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.104 5.979 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.856 6.008 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.979 4.857 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.243 4.616 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.961 7.135 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.699 7.286 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.392 5.711 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.708 6.187 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.941 7.627 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.385 8.513 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.016 8.052 3.969 1.00 0.00 H new ATOM 1341 N GLU A 80 9.267 2.034 8.549 1.00 0.00 N ATOM 1342 CA GLU A 80 10.461 1.231 8.310 1.00 0.00 C ATOM 1343 C GLU A 80 11.300 1.826 7.183 1.00 0.00 C ATOM 1344 O GLU A 80 10.785 2.254 6.150 1.00 0.00 O ATOM 1345 CB GLU A 80 10.074 -0.209 7.967 1.00 0.00 C ATOM 1346 CG GLU A 80 9.497 -0.980 9.142 1.00 0.00 C ATOM 1347 CD GLU A 80 9.700 -2.477 9.013 1.00 0.00 C ATOM 1348 OE1 GLU A 80 9.730 -2.975 7.868 1.00 0.00 O ATOM 1349 OE2 GLU A 80 9.829 -3.151 10.056 1.00 0.00 O ATOM 0 H GLU A 80 8.406 1.494 8.639 1.00 0.00 H new ATOM 0 HA GLU A 80 11.057 1.232 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.344 -0.197 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.954 -0.734 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.963 -0.632 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.431 -0.767 9.223 1.00 0.00 H new ATOM 1356 N PRO A 81 12.626 1.856 7.386 1.00 0.00 N ATOM 1357 CA PRO A 81 13.566 2.396 6.399 1.00 0.00 C ATOM 1358 C PRO A 81 13.676 1.514 5.160 1.00 0.00 C ATOM 1359 O PRO A 81 13.554 1.992 4.033 1.00 0.00 O ATOM 1360 CB PRO A 81 14.896 2.425 7.155 1.00 0.00 C ATOM 1361 CG PRO A 81 14.761 1.372 8.200 1.00 0.00 C ATOM 1362 CD PRO A 81 13.310 1.364 8.593 1.00 0.00 C ATOM 0 HA PRO A 81 13.251 3.371 6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.734 2.217 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.077 3.403 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.067 0.399 7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.397 1.590 9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.973 0.364 8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.123 2.009 9.452 1.00 0.00 H new ATOM 1370 N GLY A 82 13.906 0.222 5.377 1.00 0.00 N ATOM 1371 CA GLY A 82 14.028 -0.706 4.268 1.00 0.00 C ATOM 1372 C GLY A 82 12.963 -0.491 3.212 1.00 0.00 C ATOM 1373 O GLY A 82 13.275 -0.236 2.049 1.00 0.00 O ATOM 0 H GLY A 82 14.010 -0.198 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.013 -0.597 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.962 -1.727 4.644 1.00 0.00 H new ATOM 1377 N GLN A 83 11.701 -0.595 3.616 1.00 0.00 N ATOM 1378 CA GLN A 83 10.586 -0.412 2.694 1.00 0.00 C ATOM 1379 C GLN A 83 10.309 1.070 2.462 1.00 0.00 C ATOM 1380 O GLN A 83 10.977 1.933 3.032 1.00 0.00 O ATOM 1381 CB GLN A 83 9.331 -1.099 3.236 1.00 0.00 C ATOM 1382 CG GLN A 83 9.292 -2.595 2.966 1.00 0.00 C ATOM 1383 CD GLN A 83 10.600 -3.283 3.302 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.833 -3.673 4.447 1.00 0.00 O ATOM 1385 NE2 GLN A 83 11.463 -3.436 2.305 1.00 0.00 N ATOM 0 H GLN A 83 11.425 -0.805 4.575 1.00 0.00 H new ATOM 0 HA GLN A 83 10.857 -0.866 1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.270 -0.930 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.451 -0.635 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.489 -3.045 3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.056 -2.765 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.229 -3.098 1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 83 12.360 -3.892 2.472 1.00 0.00 H new ATOM 1394 N ARG A 84 9.320 1.357 1.622 1.00 0.00 N ATOM 1395 CA ARG A 84 8.956 2.735 1.314 1.00 0.00 C ATOM 1396 C ARG A 84 7.672 3.132 2.036 1.00 0.00 C ATOM 1397 O ARG A 84 7.698 3.921 2.982 1.00 0.00 O ATOM 1398 CB ARG A 84 8.781 2.913 -0.195 1.00 0.00 C ATOM 1399 CG ARG A 84 10.034 2.599 -0.995 1.00 0.00 C ATOM 1400 CD ARG A 84 10.939 3.816 -1.114 1.00 0.00 C ATOM 1401 NE ARG A 84 11.639 4.100 0.136 1.00 0.00 N ATOM 1402 CZ ARG A 84 12.456 5.135 0.301 1.00 0.00 C ATOM 1403 NH1 ARG A 84 12.672 5.979 -0.698 1.00 0.00 N ATOM 1404 NH2 ARG A 84 13.057 5.327 1.469 1.00 0.00 N ATOM 0 H ARG A 84 8.757 0.654 1.143 1.00 0.00 H new ATOM 0 HA ARG A 84 9.762 3.383 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.971 2.268 -0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.478 3.940 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.578 1.785 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.754 2.253 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.667 3.650 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.345 4.683 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 84 11.493 3.470 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.211 5.835 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.300 6.773 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.892 4.680 2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.684 6.121 1.595 1.00 0.00 H new ATOM 1418 N LEU A 85 6.551 2.582 1.584 1.00 0.00 N ATOM 1419 CA LEU A 85 5.256 2.880 2.187 1.00 0.00 C ATOM 1420 C LEU A 85 4.907 1.854 3.261 1.00 0.00 C ATOM 1421 O LEU A 85 3.807 1.299 3.271 1.00 0.00 O ATOM 1422 CB LEU A 85 4.165 2.903 1.115 1.00 0.00 C ATOM 1423 CG LEU A 85 4.232 4.058 0.115 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.187 3.726 -1.021 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.846 4.375 -0.427 1.00 0.00 C ATOM 0 H LEU A 85 6.512 1.928 0.803 1.00 0.00 H new ATOM 0 HA LEU A 85 5.318 3.863 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.208 1.966 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.195 2.935 1.612 1.00 0.00 H new ATOM 0 HG LEU A 85 4.609 4.940 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.222 4.559 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.184 3.549 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.841 2.831 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.913 5.199 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.442 3.496 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.189 4.657 0.396 1.00 0.00 H new ATOM 1437 N LEU A 86 5.848 1.609 4.165 1.00 0.00 N ATOM 1438 CA LEU A 86 5.640 0.651 5.246 1.00 0.00 C ATOM 1439 C LEU A 86 5.353 1.369 6.561 1.00 0.00 C ATOM 1440 O LEU A 86 6.027 2.339 6.911 1.00 0.00 O ATOM 1441 CB LEU A 86 6.867 -0.249 5.400 1.00 0.00 C ATOM 1442 CG LEU A 86 6.603 -1.658 5.934 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.713 -1.604 7.166 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.973 -2.527 4.855 1.00 0.00 C ATOM 0 H LEU A 86 6.763 2.060 4.172 1.00 0.00 H new ATOM 0 HA LEU A 86 4.776 0.036 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.354 -0.335 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.573 0.245 6.068 1.00 0.00 H new ATOM 0 HG LEU A 86 7.556 -2.103 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.536 -2.615 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.203 -1.018 7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.761 -1.140 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.792 -3.526 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.028 -2.086 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.647 -2.593 4.001 1.00 0.00 H new ATOM 1456 N PHE A 87 4.351 0.885 7.288 1.00 0.00 N ATOM 1457 CA PHE A 87 3.976 1.479 8.565 1.00 0.00 C ATOM 1458 C PHE A 87 3.649 0.399 9.592 1.00 0.00 C ATOM 1459 O PHE A 87 2.968 -0.579 9.284 1.00 0.00 O ATOM 1460 CB PHE A 87 2.775 2.409 8.386 1.00 0.00 C ATOM 1461 CG PHE A 87 2.932 3.380 7.251 1.00 0.00 C ATOM 1462 CD1 PHE A 87 4.005 4.257 7.216 1.00 0.00 C ATOM 1463 CD2 PHE A 87 2.009 3.415 6.219 1.00 0.00 C ATOM 1464 CE1 PHE A 87 4.152 5.152 6.173 1.00 0.00 C ATOM 1465 CE2 PHE A 87 2.151 4.308 5.173 1.00 0.00 C ATOM 1466 CZ PHE A 87 3.224 5.176 5.150 1.00 0.00 C ATOM 0 H PHE A 87 3.784 0.083 7.014 1.00 0.00 H new ATOM 0 HA PHE A 87 4.824 2.058 8.931 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.882 1.807 8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.615 2.965 9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.734 4.241 8.013 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.169 2.737 6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.991 5.832 6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.423 4.326 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.338 5.873 4.333 1.00 0.00 H new ATOM 1476 N ARG A 88 4.139 0.584 10.814 1.00 0.00 N ATOM 1477 CA ARG A 88 3.901 -0.375 11.886 1.00 0.00 C ATOM 1478 C ARG A 88 3.160 0.281 13.047 1.00 0.00 C ATOM 1479 O ARG A 88 3.693 1.165 13.718 1.00 0.00 O ATOM 1480 CB ARG A 88 5.225 -0.961 12.378 1.00 0.00 C ATOM 1481 CG ARG A 88 5.056 -2.092 13.379 1.00 0.00 C ATOM 1482 CD ARG A 88 5.082 -1.578 14.811 1.00 0.00 C ATOM 1483 NE ARG A 88 4.637 -2.591 15.764 1.00 0.00 N ATOM 1484 CZ ARG A 88 5.433 -3.528 16.266 1.00 0.00 C ATOM 1485 NH1 ARG A 88 6.708 -3.582 15.907 1.00 0.00 N ATOM 1486 NH2 ARG A 88 4.954 -4.415 17.129 1.00 0.00 N ATOM 0 H ARG A 88 4.703 1.389 11.086 1.00 0.00 H new ATOM 0 HA ARG A 88 3.281 -1.179 11.489 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.791 -1.327 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.816 -0.168 12.835 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.113 -2.606 13.193 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.851 -2.824 13.240 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.094 -1.262 15.064 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.443 -0.698 14.892 1.00 0.00 H new ATOM 0 HE ARG A 88 3.661 -2.578 16.060 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.080 -2.903 15.243 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.317 -4.303 16.294 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.973 -4.378 17.407 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.566 -5.134 17.514 1.00 0.00 H new ATOM 1500 N PHE A 89 1.926 -0.157 13.278 1.00 0.00 N ATOM 1501 CA PHE A 89 1.111 0.389 14.357 1.00 0.00 C ATOM 1502 C PHE A 89 1.649 -0.044 15.717 1.00 0.00 C ATOM 1503 O PHE A 89 1.203 -1.041 16.285 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.343 -0.063 14.204 1.00 0.00 C ATOM 1505 CG PHE A 89 -1.170 0.857 13.352 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.197 2.219 13.604 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.921 0.360 12.299 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.956 3.069 12.821 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.682 1.204 11.513 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.701 2.560 11.775 1.00 0.00 C ATOM 0 H PHE A 89 1.469 -0.888 12.733 1.00 0.00 H new ATOM 0 HA PHE A 89 1.155 1.477 14.298 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.361 -1.062 13.769 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.798 -0.137 15.192 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.618 2.622 14.422 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.911 -0.700 12.090 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.966 4.129 13.027 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.262 0.804 10.694 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.297 3.221 11.163 1.00 0.00 H new ATOM 1520 N MET A 90 2.611 0.714 16.235 1.00 0.00 N ATOM 1521 CA MET A 90 3.210 0.410 17.529 1.00 0.00 C ATOM 1522 C MET A 90 2.186 0.558 18.650 1.00 0.00 C ATOM 1523 O MET A 90 1.684 -0.432 19.182 1.00 0.00 O ATOM 1524 CB MET A 90 4.406 1.328 17.790 1.00 0.00 C ATOM 1525 CG MET A 90 5.512 1.193 16.756 1.00 0.00 C ATOM 1526 SD MET A 90 7.142 1.566 17.430 1.00 0.00 S ATOM 1527 CE MET A 90 6.869 3.210 18.087 1.00 0.00 C ATOM 0 H MET A 90 2.992 1.543 15.778 1.00 0.00 H new ATOM 0 HA MET A 90 3.553 -0.624 17.509 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.062 2.362 17.810 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.814 1.109 18.777 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.511 0.178 16.359 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.307 1.862 15.921 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.828 3.669 18.328 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.352 3.817 17.344 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.261 3.145 18.989 1.00 0.00 H new ATOM 1537 N LYS A 91 1.881 1.802 19.005 1.00 0.00 N ATOM 1538 CA LYS A 91 0.916 2.081 20.063 1.00 0.00 C ATOM 1539 C LYS A 91 -0.477 1.600 19.669 1.00 0.00 C ATOM 1540 O LYS A 91 -0.804 1.513 18.485 1.00 0.00 O ATOM 1541 CB LYS A 91 0.883 3.580 20.369 1.00 0.00 C ATOM 1542 CG LYS A 91 0.073 3.930 21.605 1.00 0.00 C ATOM 1543 CD LYS A 91 0.905 3.806 22.870 1.00 0.00 C ATOM 1544 CE LYS A 91 0.717 2.449 23.530 1.00 0.00 C ATOM 1545 NZ LYS A 91 -0.380 2.468 24.537 1.00 0.00 N ATOM 0 H LYS A 91 2.288 2.633 18.576 1.00 0.00 H new ATOM 0 HA LYS A 91 1.228 1.541 20.957 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.904 3.938 20.500 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.468 4.109 19.511 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.306 4.948 21.516 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.793 3.272 21.672 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.958 3.952 22.630 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.625 4.594 23.569 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.497 1.702 22.767 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.647 2.148 24.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.476 1.524 24.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.158 3.163 25.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.273 2.730 24.073 1.00 0.00 H new ATOM 1559 N THR A 92 -1.296 1.291 20.669 1.00 0.00 N ATOM 1560 CA THR A 92 -2.654 0.820 20.427 1.00 0.00 C ATOM 1561 C THR A 92 -3.524 1.927 19.841 1.00 0.00 C ATOM 1562 O THR A 92 -3.588 3.041 20.362 1.00 0.00 O ATOM 1563 CB THR A 92 -3.308 0.301 21.722 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.570 -0.816 22.229 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.751 -0.110 21.472 1.00 0.00 C ATOM 0 H THR A 92 -1.042 1.358 21.655 1.00 0.00 H new ATOM 0 HA THR A 92 -2.581 0.001 19.711 1.00 0.00 H new ATOM 0 HB THR A 92 -3.298 1.106 22.456 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.991 -1.139 23.053 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.192 -0.473 22.400 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.317 0.750 21.113 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.779 -0.901 20.723 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.210 1.616 18.732 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.090 2.572 18.051 1.00 0.00 C ATOM 1575 C PRO A 93 -6.345 2.881 18.860 1.00 0.00 C ATOM 1576 O PRO A 93 -6.872 3.993 18.806 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.455 1.853 16.750 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.307 0.404 17.063 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.182 0.308 18.056 1.00 0.00 C ATOM 0 HA PRO A 93 -4.605 3.536 17.899 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.473 2.089 16.440 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.796 2.151 15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.230 -0.002 17.478 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.083 -0.169 16.163 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.335 -0.511 18.759 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.226 0.131 17.564 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.820 1.892 19.609 1.00 0.00 N ATOM 1588 CA ASP A 94 -8.013 2.059 20.430 1.00 0.00 C ATOM 1589 C ASP A 94 -7.732 2.976 21.616 1.00 0.00 C ATOM 1590 O ASP A 94 -8.653 3.524 22.221 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.511 0.701 20.927 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.372 -0.010 19.902 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.248 0.649 19.303 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -9.171 -1.226 19.698 1.00 0.00 O ATOM 0 H ASP A 94 -6.397 0.966 19.664 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.786 2.517 19.814 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.656 0.073 21.177 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.083 0.841 21.844 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.453 3.137 21.944 1.00 0.00 N ATOM 1600 CA GLU A 95 -6.052 3.987 23.059 1.00 0.00 C ATOM 1601 C GLU A 95 -6.295 5.459 22.737 1.00 0.00 C ATOM 1602 O GLU A 95 -6.661 6.244 23.612 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.576 3.764 23.394 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.339 2.619 24.365 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.395 3.062 25.814 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -3.369 3.558 26.324 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -5.467 2.913 26.438 1.00 0.00 O ATOM 0 H GLU A 95 -5.678 2.690 21.454 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.658 3.718 23.924 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.029 3.567 22.472 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.166 4.680 23.819 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.087 1.844 24.197 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.366 2.172 24.163 1.00 0.00 H new ATOM 1614 N ILE A 96 -6.088 5.824 21.476 1.00 0.00 N ATOM 1615 CA ILE A 96 -6.284 7.200 21.039 1.00 0.00 C ATOM 1616 C ILE A 96 -7.767 7.549 20.970 1.00 0.00 C ATOM 1617 O ILE A 96 -8.180 8.634 21.378 1.00 0.00 O ATOM 1618 CB ILE A 96 -5.646 7.449 19.659 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -4.120 7.425 19.768 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -6.121 8.776 19.087 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -3.519 6.056 19.540 1.00 0.00 C ATOM 0 H ILE A 96 -5.785 5.186 20.740 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.796 7.837 21.777 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.956 6.653 18.982 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.701 8.122 19.042 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.829 7.781 20.756 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.661 8.937 18.112 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.205 8.758 18.978 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.837 9.585 19.760 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.435 6.115 19.633 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.909 5.359 20.282 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.779 5.706 18.541 1.00 0.00 H new ATOM 1633 N MET A 97 -8.565 6.620 20.453 1.00 0.00 N ATOM 1634 CA MET A 97 -10.003 6.828 20.334 1.00 0.00 C ATOM 1635 C MET A 97 -10.530 7.663 21.497 1.00 0.00 C ATOM 1636 O MET A 97 -11.387 8.527 21.315 1.00 0.00 O ATOM 1637 CB MET A 97 -10.732 5.484 20.285 1.00 0.00 C ATOM 1638 CG MET A 97 -10.407 4.661 19.049 1.00 0.00 C ATOM 1639 SD MET A 97 -11.512 5.013 17.668 1.00 0.00 S ATOM 1640 CE MET A 97 -10.522 4.446 16.288 1.00 0.00 C ATOM 0 H MET A 97 -8.240 5.716 20.110 1.00 0.00 H new ATOM 0 HA MET A 97 -10.191 7.369 19.407 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.474 4.908 21.173 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.807 5.661 20.321 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.379 4.859 18.746 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.468 3.601 19.297 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.169 4.244 15.434 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.797 5.215 16.020 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.996 3.533 16.568 1.00 0.00 H new ATOM 1650 N SER A 98 -10.011 7.399 22.692 1.00 0.00 N ATOM 1651 CA SER A 98 -10.432 8.123 23.885 1.00 0.00 C ATOM 1652 C SER A 98 -9.259 8.875 24.507 1.00 0.00 C ATOM 1653 O SER A 98 -8.166 8.329 24.655 1.00 0.00 O ATOM 1654 CB SER A 98 -11.034 7.158 24.908 1.00 0.00 C ATOM 1655 OG SER A 98 -12.304 6.694 24.485 1.00 0.00 O ATOM 0 H SER A 98 -9.298 6.689 22.859 1.00 0.00 H new ATOM 0 HA SER A 98 -11.191 8.848 23.590 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.363 6.311 25.052 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.128 7.658 25.872 1.00 0.00 H new ATOM 0 HG SER A 98 -12.667 6.078 25.155 1.00 0.00 H new ATOM 1661 N GLY A 99 -9.494 10.132 24.870 1.00 0.00 N ATOM 1662 CA GLY A 99 -8.449 10.939 25.471 1.00 0.00 C ATOM 1663 C GLY A 99 -8.965 12.270 25.982 1.00 0.00 C ATOM 1664 O GLY A 99 -10.173 12.502 26.017 1.00 0.00 O ATOM 0 H GLY A 99 -10.390 10.606 24.758 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.997 10.387 26.295 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.663 11.115 24.737 1.00 0.00 H new ATOM 1668 N ARG A 100 -8.047 13.145 26.380 1.00 0.00 N ATOM 1669 CA ARG A 100 -8.417 14.458 26.894 1.00 0.00 C ATOM 1670 C ARG A 100 -8.044 15.555 25.901 1.00 0.00 C ATOM 1671 O ARG A 100 -7.472 15.284 24.845 1.00 0.00 O ATOM 1672 CB ARG A 100 -7.729 14.716 28.237 1.00 0.00 C ATOM 1673 CG ARG A 100 -8.141 13.742 29.329 1.00 0.00 C ATOM 1674 CD ARG A 100 -7.993 14.359 30.710 1.00 0.00 C ATOM 1675 NE ARG A 100 -8.262 13.394 31.773 1.00 0.00 N ATOM 1676 CZ ARG A 100 -7.362 12.527 32.223 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -6.141 12.505 31.706 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -7.683 11.680 33.193 1.00 0.00 N ATOM 0 H ARG A 100 -7.043 12.968 26.356 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.497 14.473 27.038 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.649 14.659 28.099 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.956 15.731 28.563 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.176 13.437 29.175 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.530 12.841 29.264 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.983 14.752 30.825 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.676 15.203 30.805 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.192 13.385 32.193 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.891 13.155 30.961 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.452 11.838 32.054 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.621 11.695 33.593 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.992 11.014 33.538 1.00 0.00 H new ATOM 1692 N THR A 101 -8.373 16.796 26.247 1.00 0.00 N ATOM 1693 CA THR A 101 -8.076 17.934 25.386 1.00 0.00 C ATOM 1694 C THR A 101 -6.719 17.771 24.710 1.00 0.00 C ATOM 1695 O THR A 101 -6.638 17.617 23.491 1.00 0.00 O ATOM 1696 CB THR A 101 -8.087 19.255 26.178 1.00 0.00 C ATOM 1697 OG1 THR A 101 -9.351 19.426 26.829 1.00 0.00 O ATOM 1698 CG2 THR A 101 -7.819 20.438 25.260 1.00 0.00 C ATOM 0 H THR A 101 -8.845 17.038 27.118 1.00 0.00 H new ATOM 0 HA THR A 101 -8.856 17.968 24.626 1.00 0.00 H new ATOM 0 HB THR A 101 -7.297 19.210 26.927 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.349 20.267 27.332 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.832 21.360 25.841 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.843 20.319 24.789 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.590 20.484 24.491 1.00 0.00 H new ATOM 1706 N ASP A 102 -5.658 17.807 25.507 1.00 0.00 N ATOM 1707 CA ASP A 102 -4.304 17.661 24.985 1.00 0.00 C ATOM 1708 C ASP A 102 -4.063 16.239 24.489 1.00 0.00 C ATOM 1709 O ASP A 102 -3.473 15.418 25.192 1.00 0.00 O ATOM 1710 CB ASP A 102 -3.278 18.021 26.061 1.00 0.00 C ATOM 1711 CG ASP A 102 -3.653 17.474 27.424 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -4.082 16.303 27.496 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -3.518 18.216 28.419 1.00 0.00 O ATOM 0 H ASP A 102 -5.709 17.936 26.518 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.190 18.344 24.143 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.302 17.632 25.773 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -3.184 19.105 26.121 1.00 0.00 H new ATOM 1718 N ARG A 103 -4.524 15.955 23.275 1.00 0.00 N ATOM 1719 CA ARG A 103 -4.360 14.631 22.687 1.00 0.00 C ATOM 1720 C ARG A 103 -4.290 14.718 21.165 1.00 0.00 C ATOM 1721 O ARG A 103 -4.278 15.809 20.594 1.00 0.00 O ATOM 1722 CB ARG A 103 -5.514 13.718 23.103 1.00 0.00 C ATOM 1723 CG ARG A 103 -5.291 13.023 24.437 1.00 0.00 C ATOM 1724 CD ARG A 103 -4.143 12.029 24.362 1.00 0.00 C ATOM 1725 NE ARG A 103 -4.213 11.030 25.425 1.00 0.00 N ATOM 1726 CZ ARG A 103 -3.449 9.945 25.465 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -2.560 9.720 24.507 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -3.571 9.082 26.466 1.00 0.00 N ATOM 0 H ARG A 103 -5.014 16.623 22.680 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.423 14.211 23.054 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.430 14.306 23.158 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.666 12.964 22.331 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.080 13.767 25.205 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.203 12.506 24.736 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.159 11.529 23.393 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.196 12.564 24.429 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.886 11.174 26.178 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.462 10.381 23.737 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.974 8.886 24.540 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.252 9.252 27.206 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.983 8.249 26.495 1.00 0.00 H new ATOM 1742 N LEU A 104 -4.243 13.561 20.513 1.00 0.00 N ATOM 1743 CA LEU A 104 -4.173 13.506 19.057 1.00 0.00 C ATOM 1744 C LEU A 104 -5.412 14.136 18.428 1.00 0.00 C ATOM 1745 O LEU A 104 -6.338 13.435 18.024 1.00 0.00 O ATOM 1746 CB LEU A 104 -4.031 12.056 18.589 1.00 0.00 C ATOM 1747 CG LEU A 104 -3.241 11.843 17.296 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -1.823 12.372 17.444 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -3.226 10.369 16.918 1.00 0.00 C ATOM 0 H LEU A 104 -4.252 12.649 20.970 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.298 14.073 18.738 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.551 11.484 19.383 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.029 11.639 18.455 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.732 12.398 16.496 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.276 12.212 16.515 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.854 13.438 17.668 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.321 11.845 18.256 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.660 10.236 15.996 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.759 9.793 17.717 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.248 10.021 16.770 1.00 0.00 H new ATOM 1761 N GLU A 105 -5.418 15.463 18.348 1.00 0.00 N ATOM 1762 CA GLU A 105 -6.543 16.187 17.767 1.00 0.00 C ATOM 1763 C GLU A 105 -6.060 17.408 16.990 1.00 0.00 C ATOM 1764 O GLU A 105 -4.858 17.625 16.837 1.00 0.00 O ATOM 1765 CB GLU A 105 -7.521 16.618 18.862 1.00 0.00 C ATOM 1766 CG GLU A 105 -8.056 15.462 19.690 1.00 0.00 C ATOM 1767 CD GLU A 105 -9.177 14.715 18.993 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -10.239 15.328 18.755 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -8.993 13.519 18.685 1.00 0.00 O ATOM 0 H GLU A 105 -4.658 16.058 18.678 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.056 15.518 17.076 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.023 17.328 19.523 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.359 17.143 18.403 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.243 14.769 19.908 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.417 15.841 20.646 1.00 0.00 H new ATOM 1776 N HIS A 106 -7.007 18.203 16.502 1.00 0.00 N ATOM 1777 CA HIS A 106 -6.679 19.404 15.740 1.00 0.00 C ATOM 1778 C HIS A 106 -5.627 19.103 14.678 1.00 0.00 C ATOM 1779 O HIS A 106 -4.889 19.992 14.251 1.00 0.00 O ATOM 1780 CB HIS A 106 -6.177 20.505 16.675 1.00 0.00 C ATOM 1781 CG HIS A 106 -7.270 21.371 17.222 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -8.090 22.141 16.424 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -7.677 21.585 18.495 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -8.953 22.792 17.183 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -8.724 22.472 18.444 1.00 0.00 N ATOM 0 H HIS A 106 -8.007 18.038 16.620 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.585 19.747 15.241 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.637 20.048 17.504 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.464 21.130 16.137 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -7.257 21.141 19.385 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.716 23.471 16.832 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -9.241 22.826 19.249 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.562 17.845 14.256 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.599 17.426 13.244 1.00 0.00 C ATOM 1796 C LEU A 107 -5.287 16.653 12.124 1.00 0.00 C ATOM 1797 O LEU A 107 -4.869 16.713 10.968 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.505 16.564 13.877 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.449 17.311 14.692 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.386 16.348 15.198 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.817 18.417 13.860 1.00 0.00 C ATOM 0 H LEU A 107 -6.165 17.097 14.599 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.146 18.321 12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.980 15.827 14.524 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.000 16.013 13.084 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.937 17.766 15.554 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.643 16.897 15.776 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.851 15.592 15.831 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -0.901 15.863 14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.068 18.938 14.456 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.343 17.984 12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.587 19.123 13.548 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.345 15.929 12.475 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.093 15.146 11.498 1.00 0.00 C ATOM 1815 C GLU A 108 -7.311 15.941 10.214 1.00 0.00 C ATOM 1816 O GLU A 108 -7.258 15.392 9.114 1.00 0.00 O ATOM 1817 CB GLU A 108 -8.441 14.715 12.080 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.222 15.855 12.712 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.135 16.555 11.724 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -10.320 16.024 10.609 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -10.665 17.633 12.066 1.00 0.00 O ATOM 0 H GLU A 108 -6.703 15.868 13.428 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.508 14.258 11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.043 14.268 11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.273 13.941 12.829 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.817 15.468 13.539 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.524 16.579 13.132 1.00 0.00 H new ATOM 1828 N SER A 109 -7.557 17.239 10.364 1.00 0.00 N ATOM 1829 CA SER A 109 -7.789 18.110 9.218 1.00 0.00 C ATOM 1830 C SER A 109 -6.553 18.954 8.920 1.00 0.00 C ATOM 1831 O SER A 109 -6.127 19.064 7.770 1.00 0.00 O ATOM 1832 CB SER A 109 -8.991 19.020 9.477 1.00 0.00 C ATOM 1833 OG SER A 109 -8.744 19.896 10.563 1.00 0.00 O ATOM 0 H SER A 109 -7.601 17.710 11.268 1.00 0.00 H new ATOM 0 HA SER A 109 -7.998 17.482 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.211 19.600 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.871 18.413 9.688 1.00 0.00 H new ATOM 0 HG SER A 109 -9.527 20.468 10.707 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.983 19.548 9.963 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.797 20.383 9.813 1.00 0.00 C ATOM 1841 C GLN A 110 -3.892 19.849 8.708 1.00 0.00 C ATOM 1842 O GLN A 110 -3.261 20.618 7.984 1.00 0.00 O ATOM 1843 CB GLN A 110 -4.025 20.451 11.132 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.933 21.507 11.144 1.00 0.00 C ATOM 1845 CD GLN A 110 -2.257 21.634 12.495 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -2.907 21.551 13.537 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -0.945 21.836 12.484 1.00 0.00 N ATOM 0 H GLN A 110 -6.323 19.467 10.921 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.122 21.386 9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.725 20.655 11.943 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.579 19.477 11.333 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.186 21.260 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.361 22.470 10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.446 21.898 11.597 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.436 21.929 13.363 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.834 18.526 8.585 1.00 0.00 N ATOM 1857 CA GLU A 111 -3.004 17.890 7.568 1.00 0.00 C ATOM 1858 C GLU A 111 -3.741 17.816 6.233 1.00 0.00 C ATOM 1859 O GLU A 111 -3.606 16.843 5.490 1.00 0.00 O ATOM 1860 CB GLU A 111 -2.596 16.485 8.016 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.327 16.458 8.852 1.00 0.00 C ATOM 1862 CD GLU A 111 -1.600 16.632 10.333 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -2.562 16.013 10.835 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -0.853 17.386 10.990 1.00 0.00 O ATOM 0 H GLU A 111 -4.351 17.875 9.176 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.108 18.496 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.410 16.046 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.454 15.859 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.810 15.512 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.657 17.249 8.515 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.520 18.850 5.936 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.279 18.903 4.692 1.00 0.00 C ATOM 1873 C LEU A 112 -5.561 20.347 4.287 1.00 0.00 C ATOM 1874 O LEU A 112 -5.465 21.261 5.105 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.595 18.137 4.841 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.475 16.676 5.275 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.814 16.156 5.776 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.963 15.818 4.127 1.00 0.00 C ATOM 0 H LEU A 112 -4.643 19.663 6.540 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.680 18.436 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.217 18.661 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.121 18.170 3.887 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.757 16.618 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.709 15.115 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.140 16.752 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.554 16.228 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.884 14.781 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.656 15.882 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.982 16.176 3.815 1.00 0.00 H new ATOM 1890 N SER A 113 -5.912 20.543 3.020 1.00 0.00 N ATOM 1891 CA SER A 113 -6.207 21.875 2.506 1.00 0.00 C ATOM 1892 C SER A 113 -7.594 22.333 2.947 1.00 0.00 C ATOM 1893 O SER A 113 -8.568 22.198 2.209 1.00 0.00 O ATOM 1894 CB SER A 113 -6.115 21.888 0.979 1.00 0.00 C ATOM 1895 OG SER A 113 -6.659 23.082 0.445 1.00 0.00 O ATOM 0 H SER A 113 -5.999 19.796 2.331 1.00 0.00 H new ATOM 0 HA SER A 113 -5.469 22.566 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.073 21.791 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.648 21.028 0.572 1.00 0.00 H new ATOM 0 HG SER A 113 -6.587 23.066 -0.532 1.00 0.00 H new ATOM 1901 N GLY A 114 -7.674 22.876 4.158 1.00 0.00 N ATOM 1902 CA GLY A 114 -8.945 23.346 4.678 1.00 0.00 C ATOM 1903 C GLY A 114 -8.844 24.726 5.296 1.00 0.00 C ATOM 1904 O GLY A 114 -7.804 25.118 5.826 1.00 0.00 O ATOM 0 H GLY A 114 -6.881 22.999 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.679 23.365 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.311 22.642 5.426 1.00 0.00 H new ATOM 1908 N PRO A 115 -9.945 25.490 5.230 1.00 0.00 N ATOM 1909 CA PRO A 115 -10.001 26.847 5.781 1.00 0.00 C ATOM 1910 C PRO A 115 -9.967 26.856 7.305 1.00 0.00 C ATOM 1911 O PRO A 115 -11.010 26.830 7.959 1.00 0.00 O ATOM 1912 CB PRO A 115 -11.342 27.382 5.272 1.00 0.00 C ATOM 1913 CG PRO A 115 -12.173 26.166 5.047 1.00 0.00 C ATOM 1914 CD PRO A 115 -11.220 25.087 4.612 1.00 0.00 C ATOM 0 HA PRO A 115 -9.144 27.447 5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -11.804 28.049 6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.217 27.952 4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.698 25.879 5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.931 26.347 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.541 24.104 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.141 25.034 3.526 1.00 0.00 H new ATOM 1922 N SER A 116 -8.763 26.893 7.866 1.00 0.00 N ATOM 1923 CA SER A 116 -8.594 26.901 9.314 1.00 0.00 C ATOM 1924 C SER A 116 -8.117 28.267 9.797 1.00 0.00 C ATOM 1925 O SER A 116 -6.999 28.688 9.500 1.00 0.00 O ATOM 1926 CB SER A 116 -7.597 25.821 9.739 1.00 0.00 C ATOM 1927 OG SER A 116 -6.286 26.136 9.302 1.00 0.00 O ATOM 0 H SER A 116 -7.890 26.918 7.340 1.00 0.00 H new ATOM 0 HA SER A 116 -9.562 26.691 9.769 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.607 25.719 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.900 24.859 9.326 1.00 0.00 H new ATOM 0 HG SER A 116 -6.207 27.105 9.175 1.00 0.00 H new ATOM 1933 N SER A 117 -8.974 28.956 10.545 1.00 0.00 N ATOM 1934 CA SER A 117 -8.643 30.277 11.067 1.00 0.00 C ATOM 1935 C SER A 117 -9.588 30.665 12.200 1.00 0.00 C ATOM 1936 O SER A 117 -10.612 30.019 12.418 1.00 0.00 O ATOM 1937 CB SER A 117 -8.710 31.321 9.951 1.00 0.00 C ATOM 1938 OG SER A 117 -7.513 31.333 9.192 1.00 0.00 O ATOM 0 H SER A 117 -9.902 28.621 10.803 1.00 0.00 H new ATOM 0 HA SER A 117 -7.627 30.242 11.460 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.556 31.107 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.881 32.308 10.381 1.00 0.00 H new ATOM 0 HG SER A 117 -7.065 30.465 9.274 1.00 0.00 H new ATOM 1944 N GLY A 118 -9.236 31.728 12.918 1.00 0.00 N ATOM 1945 CA GLY A 118 -10.063 32.185 14.020 1.00 0.00 C ATOM 1946 C GLY A 118 -10.848 33.435 13.675 1.00 0.00 C ATOM 1947 O GLY A 118 -11.387 33.554 12.575 1.00 0.00 O ATOM 0 H GLY A 118 -8.394 32.280 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -10.755 31.392 14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.432 32.383 14.886 1.00 0.00 H new TER 1951 GLY A 118