USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 84 SER OG : rot -124:sc= 0.414 USER MOD Set 2.2: A 85 ASN : amide:sc= 0.453 K(o=0.87,f=0) USER MOD Set 3.1: A 65 GLN : amide:sc= 0.77 K(o=0.68,f=-0.16) USER MOD Set 3.2: A 68 MET CE :methyl 180:sc= -0.0859 (180deg=-0.0859) USER MOD Set 4.1: A 66 TYR OH : rot 14:sc= 1.18 USER MOD Set 4.2: A 70 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.22) USER MOD Set 5.1: A -5 TYR OH : rot 180:sc= 0.505 USER MOD Set 5.2: A 100 LYS NZ :NH3+ 175:sc= 0.522 (180deg=-0.00442) USER MOD Single : A 0 MET CE :methyl -123:sc= 0 (180deg=-0.45) USER MOD Single : A -8 PHE N :NH3+ -130:sc= 0 (180deg=-1.05) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 1.42 (180deg=0.45) USER MOD Single : A 46 SER OG : rot 63:sc= 0.622 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.17) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 149:sc= 0.282 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0261) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.643 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 1.01 K(o=1,f=-0.061) USER MOD Single : A 78 GLN : amide:sc= 0.00209 X(o=0.0021,f=-0.27) USER MOD Single : A 79 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 74:sc= 0.938 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 0.825 K(o=0.83,f=-8!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 160:sc= 0.596 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 170:sc= -0.39 (180deg=-0.587) USER MOD Single : A 109 MET CE :methyl -135:sc= 0 (180deg=-0.393) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -157:sc= -0.37 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -1.009 -3.634 12.919 1.00 0.00 N ATOM 59 CA PHE A -8 -1.017 -3.372 11.478 1.00 0.00 C ATOM 60 C PHE A -8 -0.074 -4.232 10.628 1.00 0.00 C ATOM 61 O PHE A -8 -0.506 -4.915 9.697 1.00 0.00 O ATOM 62 CB PHE A -8 -0.879 -1.867 11.176 1.00 0.00 C ATOM 63 CG PHE A -8 -0.516 -1.588 9.729 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.502 -1.700 8.731 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.823 -1.342 9.365 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.145 -1.603 7.375 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.178 -1.249 8.009 1.00 0.00 C ATOM 68 CZ PHE A -8 0.195 -1.392 7.014 1.00 0.00 C ATOM 0 H1 PHE A -8 -1.986 -3.756 13.255 1.00 0.00 H new ATOM 0 H2 PHE A -8 -0.466 -4.500 13.111 1.00 0.00 H new ATOM 0 H3 PHE A -8 -0.570 -2.833 13.415 1.00 0.00 H new ATOM 0 HA PHE A -8 -2.004 -3.701 11.153 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.817 -1.366 11.413 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.116 -1.439 11.826 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.534 -1.861 9.007 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.577 -1.225 10.129 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -1.902 -1.691 6.610 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.206 -1.068 7.731 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.471 -1.339 5.971 1.00 0.00 H new ATOM 78 N TRP A -7 1.219 -4.221 10.968 1.00 0.00 N ATOM 79 CA TRP A -7 2.247 -4.901 10.176 1.00 0.00 C ATOM 80 C TRP A -7 2.151 -6.431 10.254 1.00 0.00 C ATOM 81 O TRP A -7 2.484 -7.109 9.287 1.00 0.00 O ATOM 82 CB TRP A -7 3.635 -4.378 10.561 1.00 0.00 C ATOM 83 CG TRP A -7 4.785 -4.987 9.811 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.468 -6.093 10.192 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.212 -4.726 8.435 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.364 -6.457 9.207 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.235 -5.663 8.089 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.842 -3.793 7.439 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.866 -5.664 6.836 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.471 -3.789 6.178 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.478 -4.719 5.874 1.00 0.00 C ATOM 0 H TRP A -7 1.580 -3.744 11.794 1.00 0.00 H new ATOM 0 HA TRP A -7 2.071 -4.663 9.127 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.654 -3.299 10.407 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.787 -4.550 11.627 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.332 -6.613 11.128 1.00 0.00 H new ATOM 0 HE1 TRP A -7 7.037 -7.218 9.296 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.065 -3.072 7.648 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.641 -6.383 6.615 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.175 -3.062 5.436 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.952 -4.707 4.904 1.00 0.00 H new ATOM 102 N GLU A -6 1.616 -6.986 11.346 1.00 0.00 N ATOM 103 CA GLU A -6 1.303 -8.421 11.435 1.00 0.00 C ATOM 104 C GLU A -6 0.248 -8.822 10.389 1.00 0.00 C ATOM 105 O GLU A -6 0.445 -9.792 9.653 1.00 0.00 O ATOM 106 CB GLU A -6 0.839 -8.798 12.851 1.00 0.00 C ATOM 107 CG GLU A -6 1.913 -8.516 13.917 1.00 0.00 C ATOM 108 CD GLU A -6 1.559 -9.058 15.320 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.416 -9.520 15.559 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.444 -9.023 16.210 1.00 0.00 O ATOM 0 H GLU A -6 1.388 -6.460 12.189 1.00 0.00 H new ATOM 0 HA GLU A -6 2.217 -8.975 11.221 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.065 -8.240 13.094 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.577 -9.856 12.875 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.856 -8.958 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.072 -7.440 13.983 1.00 0.00 H new ATOM 117 N TYR A -5 -0.827 -8.035 10.246 1.00 0.00 N ATOM 118 CA TYR A -5 -1.767 -8.177 9.130 1.00 0.00 C ATOM 119 C TYR A -5 -1.220 -7.907 7.729 1.00 0.00 C ATOM 120 O TYR A -5 -1.565 -8.617 6.783 1.00 0.00 O ATOM 121 CB TYR A -5 -3.098 -7.456 9.382 1.00 0.00 C ATOM 122 CG TYR A -5 -4.100 -8.280 10.160 1.00 0.00 C ATOM 123 CD1 TYR A -5 -4.621 -9.447 9.568 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.531 -7.885 11.440 1.00 0.00 C ATOM 125 CE1 TYR A -5 -5.561 -10.226 10.257 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.506 -8.646 12.117 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.029 -9.818 11.523 1.00 0.00 C ATOM 128 OH TYR A -5 -6.997 -10.547 12.144 1.00 0.00 O ATOM 0 H TYR A -5 -1.067 -7.287 10.897 1.00 0.00 H new ATOM 0 HA TYR A -5 -1.957 -9.250 9.118 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.903 -6.531 9.925 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.537 -7.177 8.424 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -4.296 -9.742 8.581 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -4.116 -7.002 11.902 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -5.928 -11.141 9.817 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.854 -8.333 13.090 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.211 -10.138 13.008 1.00 0.00 H new ATOM 138 N TRP A -4 -0.347 -6.912 7.588 1.00 0.00 N ATOM 139 CA TRP A -4 0.270 -6.568 6.306 1.00 0.00 C ATOM 140 C TRP A -4 1.231 -7.675 5.836 1.00 0.00 C ATOM 141 O TRP A -4 1.256 -8.024 4.655 1.00 0.00 O ATOM 142 CB TRP A -4 0.987 -5.226 6.452 1.00 0.00 C ATOM 143 CG TRP A -4 1.323 -4.620 5.135 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.453 -4.861 4.433 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.413 -3.951 4.208 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.337 -4.295 3.182 1.00 0.00 N ATOM 147 CE2 TRP A -4 1.097 -3.736 2.979 1.00 0.00 C ATOM 148 CE3 TRP A -4 -0.926 -3.510 4.280 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.504 -3.091 1.886 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.541 -2.873 3.184 1.00 0.00 C ATOM 151 CH2 TRP A -4 -0.829 -2.659 1.990 1.00 0.00 C ATOM 0 H TRP A -4 -0.046 -6.319 8.361 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.502 -6.481 5.541 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.356 -4.539 7.016 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.901 -5.366 7.029 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.310 -5.410 4.795 1.00 0.00 H new ATOM 0 HE1 TRP A -4 3.084 -4.291 2.487 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.488 -3.663 5.189 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 1.063 -2.928 0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.568 -2.546 3.261 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.305 -2.164 1.156 1.00 0.00 H new ATOM 162 N LEU A -3 1.959 -8.302 6.764 1.00 0.00 N ATOM 163 CA LEU A -3 2.747 -9.504 6.515 1.00 0.00 C ATOM 164 C LEU A -3 1.850 -10.680 6.088 1.00 0.00 C ATOM 165 O LEU A -3 2.138 -11.327 5.081 1.00 0.00 O ATOM 166 CB LEU A -3 3.561 -9.813 7.785 1.00 0.00 C ATOM 167 CG LEU A -3 4.592 -10.940 7.618 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.754 -10.476 6.740 1.00 0.00 C ATOM 169 CD2 LEU A -3 5.154 -11.335 8.985 1.00 0.00 C ATOM 0 H LEU A -3 2.016 -7.978 7.729 1.00 0.00 H new ATOM 0 HA LEU A -3 3.434 -9.341 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A -3 4.079 -8.907 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.873 -10.082 8.587 1.00 0.00 H new ATOM 0 HG LEU A -3 4.094 -11.790 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.475 -11.286 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.377 -10.193 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.240 -9.617 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.884 -12.134 8.861 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.636 -10.471 9.444 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.343 -11.681 9.626 1.00 0.00 H new ATOM 181 N ARG A -2 0.724 -10.901 6.786 1.00 0.00 N ATOM 182 CA ARG A -2 -0.294 -11.922 6.454 1.00 0.00 C ATOM 183 C ARG A -2 -0.856 -11.727 5.040 1.00 0.00 C ATOM 184 O ARG A -2 -1.052 -12.708 4.324 1.00 0.00 O ATOM 185 CB ARG A -2 -1.382 -11.916 7.551 1.00 0.00 C ATOM 186 CG ARG A -2 -2.086 -13.263 7.787 1.00 0.00 C ATOM 187 CD ARG A -2 -3.209 -13.576 6.794 1.00 0.00 C ATOM 188 NE ARG A -2 -3.907 -14.825 7.159 1.00 0.00 N ATOM 189 CZ ARG A -2 -5.093 -15.220 6.734 1.00 0.00 C ATOM 190 NH1 ARG A -2 -5.784 -14.541 5.863 1.00 0.00 N ATOM 191 NH2 ARG A -2 -5.618 -16.325 7.183 1.00 0.00 N ATOM 0 H ARG A -2 0.487 -10.363 7.619 1.00 0.00 H new ATOM 0 HA ARG A -2 0.166 -12.910 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -0.928 -11.593 8.488 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.135 -11.173 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -1.344 -14.060 7.739 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.498 -13.271 8.796 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -3.921 -12.751 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -2.796 -13.667 5.789 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.423 -15.447 7.806 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -5.412 -13.670 5.484 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -6.697 -14.880 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -5.112 -16.889 7.866 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -6.535 -16.626 6.851 1.00 0.00 H new ATOM 205 N LEU A -1 -1.027 -10.474 4.608 1.00 0.00 N ATOM 206 CA LEU A -1 -1.463 -10.098 3.264 1.00 0.00 C ATOM 207 C LEU A -1 -0.532 -10.662 2.172 1.00 0.00 C ATOM 208 O LEU A -1 -0.975 -11.446 1.329 1.00 0.00 O ATOM 209 CB LEU A -1 -1.560 -8.559 3.192 1.00 0.00 C ATOM 210 CG LEU A -1 -2.608 -7.961 2.239 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.134 -6.577 1.818 1.00 0.00 C ATOM 212 CD2 LEU A -1 -2.840 -8.730 0.946 1.00 0.00 C ATOM 0 H LEU A -1 -0.859 -9.666 5.208 1.00 0.00 H new ATOM 0 HA LEU A -1 -2.443 -10.535 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -1.766 -8.187 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.582 -8.173 2.903 1.00 0.00 H new ATOM 0 HG LEU A -1 -3.542 -7.978 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.863 -6.133 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -2.026 -5.945 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.172 -6.660 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -3.597 -8.220 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -1.909 -8.782 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.180 -9.739 1.179 1.00 0.00 H new ATOM 224 N MET A 0 0.759 -10.301 2.195 1.00 0.00 N ATOM 225 CA MET A 0 1.720 -10.728 1.164 1.00 0.00 C ATOM 226 C MET A 0 2.302 -12.134 1.374 1.00 0.00 C ATOM 227 O MET A 0 2.809 -12.727 0.422 1.00 0.00 O ATOM 228 CB MET A 0 2.763 -9.644 0.871 1.00 0.00 C ATOM 229 CG MET A 0 3.642 -9.208 2.041 1.00 0.00 C ATOM 230 SD MET A 0 4.639 -7.770 1.571 1.00 0.00 S ATOM 231 CE MET A 0 5.554 -7.515 3.102 1.00 0.00 C ATOM 0 H MET A 0 1.165 -9.710 2.921 1.00 0.00 H new ATOM 0 HA MET A 0 1.142 -10.844 0.247 1.00 0.00 H new ATOM 0 HB2 MET A 0 3.412 -10.003 0.072 1.00 0.00 H new ATOM 0 HB3 MET A 0 2.243 -8.765 0.489 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.020 -8.963 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.293 -10.029 2.342 1.00 0.00 H new ATOM 0 HE1 MET A 0 5.380 -6.502 3.466 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.218 -8.232 3.851 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.619 -7.656 2.917 1.00 0.00 H new ATOM 241 N GLU A 1 2.155 -12.729 2.561 1.00 0.00 N ATOM 242 CA GLU A 1 2.430 -14.157 2.796 1.00 0.00 C ATOM 243 C GLU A 1 1.484 -15.052 1.965 1.00 0.00 C ATOM 244 O GLU A 1 1.891 -16.106 1.474 1.00 0.00 O ATOM 245 CB GLU A 1 2.316 -14.448 4.304 1.00 0.00 C ATOM 246 CG GLU A 1 2.534 -15.926 4.671 1.00 0.00 C ATOM 247 CD GLU A 1 2.540 -16.195 6.194 1.00 0.00 C ATOM 248 OE1 GLU A 1 2.365 -15.259 7.012 1.00 0.00 O ATOM 249 OE2 GLU A 1 2.724 -17.373 6.586 1.00 0.00 O ATOM 0 H GLU A 1 1.840 -12.233 3.395 1.00 0.00 H new ATOM 0 HA GLU A 1 3.443 -14.390 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.046 -13.840 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.330 -14.139 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.750 -16.525 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.482 -16.260 4.248 1.00 0.00 H new ATOM 678 N LEU A 33 9.457 -8.906 -12.171 1.00 0.00 N ATOM 679 CA LEU A 33 9.278 -7.460 -12.031 1.00 0.00 C ATOM 680 C LEU A 33 7.998 -6.952 -12.718 1.00 0.00 C ATOM 681 O LEU A 33 7.576 -7.463 -13.758 1.00 0.00 O ATOM 682 CB LEU A 33 10.505 -6.722 -12.600 1.00 0.00 C ATOM 683 CG LEU A 33 11.846 -7.027 -11.902 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.976 -6.335 -12.665 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.874 -6.537 -10.453 1.00 0.00 C ATOM 0 HA LEU A 33 9.176 -7.251 -10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.600 -6.973 -13.657 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.321 -5.649 -12.542 1.00 0.00 H new ATOM 0 HG LEU A 33 11.971 -8.110 -11.897 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.927 -6.546 -12.177 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.004 -6.706 -13.690 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.804 -5.259 -12.673 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.839 -6.776 -10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.721 -5.458 -10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.082 -7.027 -9.888 1.00 0.00 H new ATOM 697 N VAL A 34 7.438 -5.882 -12.155 1.00 0.00 N ATOM 698 CA VAL A 34 6.343 -5.055 -12.685 1.00 0.00 C ATOM 699 C VAL A 34 6.739 -3.593 -12.832 1.00 0.00 C ATOM 700 O VAL A 34 7.688 -3.134 -12.188 1.00 0.00 O ATOM 701 CB VAL A 34 5.016 -5.214 -11.905 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.792 -6.646 -11.437 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.895 -4.298 -10.679 1.00 0.00 C ATOM 0 H VAL A 34 7.758 -5.541 -11.249 1.00 0.00 H new ATOM 0 HA VAL A 34 6.151 -5.441 -13.686 1.00 0.00 H new ATOM 0 HB VAL A 34 4.255 -4.924 -12.630 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.849 -6.708 -10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.758 -7.310 -12.301 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.609 -6.946 -10.780 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.937 -4.471 -10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.704 -4.515 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.958 -3.257 -10.995 1.00 0.00 H new ATOM 713 N ARG A 35 5.981 -2.855 -13.649 1.00 0.00 N ATOM 714 CA ARG A 35 6.109 -1.400 -13.814 1.00 0.00 C ATOM 715 C ARG A 35 4.924 -0.655 -13.173 1.00 0.00 C ATOM 716 O ARG A 35 3.914 -0.443 -13.852 1.00 0.00 O ATOM 717 CB ARG A 35 6.298 -1.045 -15.302 1.00 0.00 C ATOM 718 CG ARG A 35 7.657 -1.516 -15.847 1.00 0.00 C ATOM 719 CD ARG A 35 7.824 -1.231 -17.347 1.00 0.00 C ATOM 720 NE ARG A 35 7.877 0.218 -17.637 1.00 0.00 N ATOM 721 CZ ARG A 35 6.994 0.945 -18.302 1.00 0.00 C ATOM 722 NH1 ARG A 35 5.872 0.454 -18.748 1.00 0.00 N ATOM 723 NH2 ARG A 35 7.224 2.207 -18.529 1.00 0.00 N ATOM 0 H ARG A 35 5.245 -3.259 -14.228 1.00 0.00 H new ATOM 0 HA ARG A 35 7.001 -1.065 -13.284 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.498 -1.499 -15.886 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.212 0.034 -15.429 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.456 -1.021 -15.296 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.764 -2.586 -15.670 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.737 -1.705 -17.706 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.995 -1.680 -17.895 1.00 0.00 H new ATOM 0 HE ARG A 35 8.692 0.717 -17.282 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.646 -0.528 -18.589 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.220 1.052 -19.256 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.086 2.637 -18.194 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.542 2.766 -19.042 1.00 0.00 H new ATOM 737 N PRO A 36 4.988 -0.291 -11.876 1.00 0.00 N ATOM 738 CA PRO A 36 3.929 0.482 -11.224 1.00 0.00 C ATOM 739 C PRO A 36 3.798 1.905 -11.796 1.00 0.00 C ATOM 740 O PRO A 36 4.757 2.460 -12.343 1.00 0.00 O ATOM 741 CB PRO A 36 4.281 0.490 -9.734 1.00 0.00 C ATOM 742 CG PRO A 36 5.793 0.286 -9.701 1.00 0.00 C ATOM 743 CD PRO A 36 6.073 -0.567 -10.937 1.00 0.00 C ATOM 0 HA PRO A 36 2.953 0.030 -11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.997 1.431 -9.263 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.761 -0.304 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.326 1.236 -9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.109 -0.218 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.039 -0.315 -11.374 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.106 -1.626 -10.680 1.00 0.00 H new ATOM 751 N LYS A 37 2.612 2.515 -11.644 1.00 0.00 N ATOM 752 CA LYS A 37 2.348 3.919 -12.024 1.00 0.00 C ATOM 753 C LYS A 37 3.327 4.901 -11.352 1.00 0.00 C ATOM 754 O LYS A 37 3.716 4.663 -10.205 1.00 0.00 O ATOM 755 CB LYS A 37 0.887 4.310 -11.709 1.00 0.00 C ATOM 756 CG LYS A 37 -0.130 3.612 -12.630 1.00 0.00 C ATOM 757 CD LYS A 37 -1.535 4.238 -12.586 1.00 0.00 C ATOM 758 CE LYS A 37 -2.143 4.311 -11.176 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.543 4.810 -11.223 1.00 0.00 N ATOM 0 H LYS A 37 1.797 2.045 -11.249 1.00 0.00 H new ATOM 0 HA LYS A 37 2.506 3.990 -13.100 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.664 4.058 -10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.776 5.390 -11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.240 3.643 -13.655 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.201 2.561 -12.348 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.486 5.244 -13.002 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.200 3.659 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.121 3.323 -10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.540 4.969 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.930 4.850 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.558 5.762 -11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.121 4.168 -11.802 1.00 0.00 H new ATOM 773 N PRO A 38 3.685 6.034 -11.991 1.00 0.00 N ATOM 774 CA PRO A 38 4.631 7.003 -11.424 1.00 0.00 C ATOM 775 C PRO A 38 4.153 7.609 -10.093 1.00 0.00 C ATOM 776 O PRO A 38 4.970 7.888 -9.215 1.00 0.00 O ATOM 777 CB PRO A 38 4.822 8.071 -12.510 1.00 0.00 C ATOM 778 CG PRO A 38 3.553 7.974 -13.354 1.00 0.00 C ATOM 779 CD PRO A 38 3.229 6.483 -13.301 1.00 0.00 C ATOM 0 HA PRO A 38 5.571 6.517 -11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.938 9.064 -12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.714 7.878 -13.107 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.745 8.579 -12.942 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.719 8.316 -14.375 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.160 6.309 -13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.736 5.942 -14.100 1.00 0.00 H new ATOM 787 N LEU A 39 2.836 7.751 -9.901 1.00 0.00 N ATOM 788 CA LEU A 39 2.238 8.229 -8.649 1.00 0.00 C ATOM 789 C LEU A 39 2.451 7.245 -7.478 1.00 0.00 C ATOM 790 O LEU A 39 2.735 7.671 -6.359 1.00 0.00 O ATOM 791 CB LEU A 39 0.747 8.522 -8.915 1.00 0.00 C ATOM 792 CG LEU A 39 0.022 9.266 -7.777 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.523 10.704 -7.627 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.478 9.324 -8.062 1.00 0.00 C ATOM 0 H LEU A 39 2.147 7.534 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 39 2.737 9.145 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.664 9.113 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.233 7.579 -9.099 1.00 0.00 H new ATOM 0 HG LEU A 39 0.226 8.716 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.014 11.193 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.590 10.696 -7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.350 11.248 -8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.982 9.852 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.650 9.851 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.874 8.311 -8.137 1.00 0.00 H new ATOM 806 N LEU A 40 2.379 5.933 -7.742 1.00 0.00 N ATOM 807 CA LEU A 40 2.714 4.884 -6.775 1.00 0.00 C ATOM 808 C LEU A 40 4.222 4.822 -6.535 1.00 0.00 C ATOM 809 O LEU A 40 4.665 4.773 -5.394 1.00 0.00 O ATOM 810 CB LEU A 40 2.178 3.527 -7.270 1.00 0.00 C ATOM 811 CG LEU A 40 2.533 2.331 -6.363 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.053 2.524 -4.923 1.00 0.00 C ATOM 813 CD2 LEU A 40 1.866 1.065 -6.894 1.00 0.00 C ATOM 0 H LEU A 40 2.082 5.568 -8.647 1.00 0.00 H new ATOM 0 HA LEU A 40 2.240 5.122 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.094 3.590 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.570 3.338 -8.269 1.00 0.00 H new ATOM 0 HG LEU A 40 3.620 2.251 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.329 1.653 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.518 3.415 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.969 2.642 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.120 0.223 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.785 1.201 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.217 0.866 -7.907 1.00 0.00 H new ATOM 825 N LEU A 41 5.025 4.878 -7.599 1.00 0.00 N ATOM 826 CA LEU A 41 6.485 4.887 -7.499 1.00 0.00 C ATOM 827 C LEU A 41 6.996 6.045 -6.624 1.00 0.00 C ATOM 828 O LEU A 41 7.873 5.838 -5.787 1.00 0.00 O ATOM 829 CB LEU A 41 7.064 4.901 -8.921 1.00 0.00 C ATOM 830 CG LEU A 41 8.594 5.027 -8.984 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.309 3.907 -8.227 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.050 4.989 -10.440 1.00 0.00 C ATOM 0 H LEU A 41 4.679 4.919 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 41 6.829 3.986 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.766 3.984 -9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.621 5.730 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 41 8.853 5.975 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.387 4.046 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.015 3.932 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.035 2.944 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.135 5.078 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.745 4.045 -10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.596 5.816 -10.985 1.00 0.00 H new ATOM 844 N LYS A 42 6.399 7.239 -6.730 1.00 0.00 N ATOM 845 CA LYS A 42 6.682 8.375 -5.834 1.00 0.00 C ATOM 846 C LYS A 42 6.385 8.059 -4.357 1.00 0.00 C ATOM 847 O LYS A 42 7.146 8.463 -3.479 1.00 0.00 O ATOM 848 CB LYS A 42 5.884 9.597 -6.322 1.00 0.00 C ATOM 849 CG LYS A 42 6.194 10.866 -5.509 1.00 0.00 C ATOM 850 CD LYS A 42 5.535 12.124 -6.093 1.00 0.00 C ATOM 851 CE LYS A 42 4.005 12.091 -5.964 1.00 0.00 C ATOM 852 NZ LYS A 42 3.392 13.348 -6.472 1.00 0.00 N ATOM 0 H LYS A 42 5.701 7.449 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 42 7.750 8.590 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.110 9.778 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.818 9.380 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.854 10.726 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.273 11.012 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.922 13.005 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.807 12.220 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.609 11.241 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.729 11.946 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.358 13.295 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.752 14.156 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.636 13.473 -7.475 1.00 0.00 H new ATOM 866 N LEU A 43 5.328 7.295 -4.071 1.00 0.00 N ATOM 867 CA LEU A 43 5.020 6.783 -2.725 1.00 0.00 C ATOM 868 C LEU A 43 6.072 5.764 -2.234 1.00 0.00 C ATOM 869 O LEU A 43 6.451 5.802 -1.064 1.00 0.00 O ATOM 870 CB LEU A 43 3.569 6.254 -2.713 1.00 0.00 C ATOM 871 CG LEU A 43 3.072 5.716 -1.358 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.557 5.899 -1.271 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.354 4.221 -1.164 1.00 0.00 C ATOM 0 H LEU A 43 4.649 7.008 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 43 5.081 7.592 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.905 7.058 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.484 5.459 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 43 3.607 6.274 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.199 5.520 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.313 6.958 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.077 5.350 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.980 3.903 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.855 3.652 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.428 4.044 -1.215 1.00 0.00 H new ATOM 885 N LEU A 44 6.624 4.918 -3.115 1.00 0.00 N ATOM 886 CA LEU A 44 7.773 4.055 -2.783 1.00 0.00 C ATOM 887 C LEU A 44 9.041 4.892 -2.501 1.00 0.00 C ATOM 888 O LEU A 44 9.742 4.660 -1.514 1.00 0.00 O ATOM 889 CB LEU A 44 8.027 2.994 -3.881 1.00 0.00 C ATOM 890 CG LEU A 44 6.806 2.235 -4.436 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.245 1.242 -5.513 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.039 1.462 -3.365 1.00 0.00 C ATOM 0 H LEU A 44 6.291 4.811 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 44 7.523 3.518 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.524 3.487 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.727 2.259 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 44 6.143 2.997 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.373 0.712 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.731 1.780 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.945 0.525 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.192 0.950 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.699 0.728 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.678 2.155 -2.605 1.00 0.00 H new ATOM 904 N LYS A 45 9.315 5.928 -3.303 1.00 0.00 N ATOM 905 CA LYS A 45 10.391 6.909 -3.053 1.00 0.00 C ATOM 906 C LYS A 45 10.203 7.774 -1.804 1.00 0.00 C ATOM 907 O LYS A 45 11.199 8.197 -1.220 1.00 0.00 O ATOM 908 CB LYS A 45 10.624 7.775 -4.303 1.00 0.00 C ATOM 909 CG LYS A 45 11.581 7.095 -5.293 1.00 0.00 C ATOM 910 CD LYS A 45 10.952 6.768 -6.646 1.00 0.00 C ATOM 911 CE LYS A 45 12.044 6.464 -7.677 1.00 0.00 C ATOM 912 NZ LYS A 45 12.850 5.256 -7.340 1.00 0.00 N ATOM 0 H LYS A 45 8.791 6.116 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 45 11.282 6.318 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.670 7.970 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.033 8.741 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.442 7.744 -5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.954 6.174 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.285 5.911 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.345 7.607 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.583 6.324 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.708 7.325 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.855 5.445 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.725 5.025 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.533 4.454 -7.921 1.00 0.00 H new ATOM 926 N SER A 46 8.974 7.946 -1.317 1.00 0.00 N ATOM 927 CA SER A 46 8.693 8.588 -0.017 1.00 0.00 C ATOM 928 C SER A 46 9.229 7.783 1.181 1.00 0.00 C ATOM 929 O SER A 46 9.401 8.339 2.268 1.00 0.00 O ATOM 930 CB SER A 46 7.194 8.860 0.147 1.00 0.00 C ATOM 931 OG SER A 46 6.743 9.749 -0.861 1.00 0.00 O ATOM 0 H SER A 46 8.134 7.644 -1.811 1.00 0.00 H new ATOM 0 HA SER A 46 9.228 9.537 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.639 7.924 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.000 9.287 1.131 1.00 0.00 H new ATOM 0 HG SER A 46 6.856 9.331 -1.740 1.00 0.00 H new ATOM 937 N VAL A 47 9.551 6.498 0.975 1.00 0.00 N ATOM 938 CA VAL A 47 10.288 5.620 1.913 1.00 0.00 C ATOM 939 C VAL A 47 11.648 5.151 1.352 1.00 0.00 C ATOM 940 O VAL A 47 12.258 4.221 1.881 1.00 0.00 O ATOM 941 CB VAL A 47 9.411 4.466 2.437 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.163 4.994 3.150 1.00 0.00 C ATOM 943 CG2 VAL A 47 8.963 3.494 1.340 1.00 0.00 C ATOM 0 H VAL A 47 9.296 6.015 0.114 1.00 0.00 H new ATOM 0 HA VAL A 47 10.534 6.229 2.783 1.00 0.00 H new ATOM 0 HB VAL A 47 10.048 3.923 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.566 4.155 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.462 5.613 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.572 5.590 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.350 2.707 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.381 4.033 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.839 3.050 0.867 1.00 0.00 H new ATOM 953 N GLY A 48 12.158 5.821 0.311 1.00 0.00 N ATOM 954 CA GLY A 48 13.528 5.669 -0.198 1.00 0.00 C ATOM 955 C GLY A 48 13.776 4.491 -1.149 1.00 0.00 C ATOM 956 O GLY A 48 14.922 4.051 -1.272 1.00 0.00 O ATOM 0 H GLY A 48 11.614 6.504 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.805 6.588 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.200 5.567 0.654 1.00 0.00 H new ATOM 960 N ALA A 49 12.743 3.961 -1.812 1.00 0.00 N ATOM 961 CA ALA A 49 12.876 2.825 -2.725 1.00 0.00 C ATOM 962 C ALA A 49 13.686 3.205 -3.990 1.00 0.00 C ATOM 963 O ALA A 49 13.313 4.116 -4.738 1.00 0.00 O ATOM 964 CB ALA A 49 11.461 2.327 -3.021 1.00 0.00 C ATOM 0 H ALA A 49 11.788 4.310 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 49 13.451 2.015 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.509 1.476 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.981 2.021 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.883 3.128 -3.482 1.00 0.00 H new ATOM 970 N GLN A 50 14.820 2.537 -4.229 1.00 0.00 N ATOM 971 CA GLN A 50 15.810 2.946 -5.241 1.00 0.00 C ATOM 972 C GLN A 50 15.370 2.739 -6.704 1.00 0.00 C ATOM 973 O GLN A 50 15.529 3.643 -7.531 1.00 0.00 O ATOM 974 CB GLN A 50 17.138 2.223 -4.935 1.00 0.00 C ATOM 975 CG GLN A 50 18.288 2.504 -5.923 1.00 0.00 C ATOM 976 CD GLN A 50 18.758 3.962 -5.968 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.462 4.790 -5.115 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.530 4.335 -6.968 1.00 0.00 N ATOM 0 H GLN A 50 15.082 1.691 -3.724 1.00 0.00 H new ATOM 0 HA GLN A 50 15.928 4.027 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.464 2.507 -3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.952 1.149 -4.917 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.136 1.872 -5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 50 17.969 2.209 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.790 3.663 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.868 5.296 -7.020 1.00 0.00 H new ATOM 987 N LYS A 51 14.834 1.558 -7.031 1.00 0.00 N ATOM 988 CA LYS A 51 14.487 1.114 -8.397 1.00 0.00 C ATOM 989 C LYS A 51 13.257 1.834 -8.976 1.00 0.00 C ATOM 990 O LYS A 51 12.575 2.602 -8.292 1.00 0.00 O ATOM 991 CB LYS A 51 14.241 -0.412 -8.399 1.00 0.00 C ATOM 992 CG LYS A 51 15.372 -1.257 -7.787 1.00 0.00 C ATOM 993 CD LYS A 51 15.109 -2.765 -7.943 1.00 0.00 C ATOM 994 CE LYS A 51 13.889 -3.236 -7.136 1.00 0.00 C ATOM 995 NZ LYS A 51 13.570 -4.657 -7.411 1.00 0.00 N ATOM 0 H LYS A 51 14.619 0.852 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 51 15.333 1.370 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.320 -0.616 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.081 -0.737 -9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.317 -1.002 -8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.476 -1.014 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.955 -2.997 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.990 -3.320 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.083 -3.105 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.028 -2.615 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.712 -4.927 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.410 -4.786 -8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.364 -5.256 -7.106 1.00 0.00 H new ATOM 1009 N ASP A 52 12.950 1.538 -10.236 1.00 0.00 N ATOM 1010 CA ASP A 52 11.708 1.896 -10.944 1.00 0.00 C ATOM 1011 C ASP A 52 10.858 0.693 -11.417 1.00 0.00 C ATOM 1012 O ASP A 52 9.830 0.851 -12.079 1.00 0.00 O ATOM 1013 CB ASP A 52 11.947 2.955 -12.033 1.00 0.00 C ATOM 1014 CG ASP A 52 13.101 2.667 -13.015 1.00 0.00 C ATOM 1015 OD1 ASP A 52 13.595 1.517 -13.099 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.507 3.610 -13.736 1.00 0.00 O ATOM 0 H ASP A 52 13.592 1.013 -10.830 1.00 0.00 H new ATOM 0 HA ASP A 52 11.074 2.364 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.028 3.070 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.141 3.911 -11.546 1.00 0.00 H new ATOM 1021 N THR A 53 11.277 -0.518 -11.038 1.00 0.00 N ATOM 1022 CA THR A 53 10.655 -1.816 -11.359 1.00 0.00 C ATOM 1023 C THR A 53 10.750 -2.671 -10.090 1.00 0.00 C ATOM 1024 O THR A 53 11.778 -2.685 -9.407 1.00 0.00 O ATOM 1025 CB THR A 53 11.435 -2.570 -12.455 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.831 -2.338 -12.394 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.962 -2.186 -13.853 1.00 0.00 C ATOM 0 H THR A 53 12.112 -0.630 -10.463 1.00 0.00 H new ATOM 0 HA THR A 53 9.635 -1.644 -11.704 1.00 0.00 H new ATOM 0 HB THR A 53 11.237 -3.625 -12.265 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.277 -2.839 -13.108 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.536 -2.739 -14.596 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.904 -2.428 -13.958 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.107 -1.116 -14.005 1.00 0.00 H new ATOM 1035 N TYR A 54 9.679 -3.408 -9.778 1.00 0.00 N ATOM 1036 CA TYR A 54 9.508 -4.110 -8.495 1.00 0.00 C ATOM 1037 C TYR A 54 8.680 -5.401 -8.545 1.00 0.00 C ATOM 1038 O TYR A 54 7.832 -5.539 -9.420 1.00 0.00 O ATOM 1039 CB TYR A 54 8.863 -3.153 -7.478 1.00 0.00 C ATOM 1040 CG TYR A 54 9.723 -1.988 -7.038 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.692 -2.164 -6.031 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.554 -0.729 -7.646 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.491 -1.078 -5.626 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.362 0.351 -7.256 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.324 0.179 -6.240 1.00 0.00 C ATOM 1046 OH TYR A 54 12.129 1.209 -5.889 1.00 0.00 O ATOM 0 H TYR A 54 8.894 -3.538 -10.416 1.00 0.00 H new ATOM 0 HA TYR A 54 10.513 -4.417 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.943 -2.759 -7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.581 -3.727 -6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.822 -3.132 -5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.804 -0.594 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.229 -1.208 -4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.247 1.313 -7.734 1.00 0.00 H new ATOM 0 HH TYR A 54 12.256 1.802 -6.659 1.00 0.00 H new ATOM 1056 N THR A 55 8.882 -6.339 -7.619 1.00 0.00 N ATOM 1057 CA THR A 55 7.937 -7.460 -7.408 1.00 0.00 C ATOM 1058 C THR A 55 6.667 -7.039 -6.659 1.00 0.00 C ATOM 1059 O THR A 55 6.688 -6.039 -5.942 1.00 0.00 O ATOM 1060 CB THR A 55 8.560 -8.737 -6.809 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.485 -8.699 -5.398 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.016 -8.988 -7.196 1.00 0.00 C ATOM 0 H THR A 55 9.690 -6.353 -6.997 1.00 0.00 H new ATOM 0 HA THR A 55 7.643 -7.740 -8.420 1.00 0.00 H new ATOM 0 HB THR A 55 7.973 -9.553 -7.230 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.882 -9.515 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.364 -9.908 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.094 -9.082 -8.279 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.631 -8.154 -6.859 1.00 0.00 H new ATOM 1070 N MET A 56 5.561 -7.789 -6.748 1.00 0.00 N ATOM 1071 CA MET A 56 4.358 -7.488 -5.947 1.00 0.00 C ATOM 1072 C MET A 56 4.623 -7.481 -4.430 1.00 0.00 C ATOM 1073 O MET A 56 4.113 -6.609 -3.725 1.00 0.00 O ATOM 1074 CB MET A 56 3.215 -8.457 -6.295 1.00 0.00 C ATOM 1075 CG MET A 56 2.469 -8.000 -7.552 1.00 0.00 C ATOM 1076 SD MET A 56 1.460 -6.510 -7.293 1.00 0.00 S ATOM 1077 CE MET A 56 1.019 -6.150 -9.010 1.00 0.00 C ATOM 0 H MET A 56 5.470 -8.601 -7.358 1.00 0.00 H new ATOM 0 HA MET A 56 4.060 -6.474 -6.212 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.617 -9.458 -6.451 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.520 -8.520 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.192 -7.807 -8.344 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.826 -8.809 -7.898 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.394 -5.258 -9.046 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.926 -5.981 -9.591 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.471 -6.994 -9.430 1.00 0.00 H new ATOM 1087 N LYS A 57 5.476 -8.391 -3.935 1.00 0.00 N ATOM 1088 CA LYS A 57 5.944 -8.421 -2.537 1.00 0.00 C ATOM 1089 C LYS A 57 6.797 -7.200 -2.204 1.00 0.00 C ATOM 1090 O LYS A 57 6.626 -6.636 -1.132 1.00 0.00 O ATOM 1091 CB LYS A 57 6.675 -9.753 -2.298 1.00 0.00 C ATOM 1092 CG LYS A 57 7.136 -10.013 -0.852 1.00 0.00 C ATOM 1093 CD LYS A 57 8.528 -9.448 -0.513 1.00 0.00 C ATOM 1094 CE LYS A 57 9.018 -9.857 0.885 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.325 -11.309 0.981 1.00 0.00 N ATOM 0 H LYS A 57 5.868 -9.141 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 57 5.095 -8.367 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.017 -10.567 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.548 -9.789 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.406 -9.580 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.141 -11.088 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.245 -9.792 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.498 -8.360 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.910 -9.283 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.257 -9.601 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.762 -11.511 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.446 -11.857 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.982 -11.576 0.221 1.00 0.00 H new ATOM 1109 N GLU A 58 7.668 -6.745 -3.104 1.00 0.00 N ATOM 1110 CA GLU A 58 8.443 -5.510 -2.907 1.00 0.00 C ATOM 1111 C GLU A 58 7.565 -4.247 -2.855 1.00 0.00 C ATOM 1112 O GLU A 58 7.728 -3.431 -1.945 1.00 0.00 O ATOM 1113 CB GLU A 58 9.505 -5.353 -4.001 1.00 0.00 C ATOM 1114 CG GLU A 58 10.667 -6.347 -3.875 1.00 0.00 C ATOM 1115 CD GLU A 58 11.673 -6.222 -5.037 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.336 -5.647 -6.100 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.828 -6.685 -4.894 1.00 0.00 O ATOM 0 H GLU A 58 7.859 -7.216 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 58 8.926 -5.610 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.033 -5.480 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.901 -4.338 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.184 -6.180 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.272 -7.363 -3.847 1.00 0.00 H new ATOM 1124 N VAL A 59 6.606 -4.093 -3.781 1.00 0.00 N ATOM 1125 CA VAL A 59 5.662 -2.957 -3.785 1.00 0.00 C ATOM 1126 C VAL A 59 4.824 -2.955 -2.503 1.00 0.00 C ATOM 1127 O VAL A 59 4.773 -1.935 -1.816 1.00 0.00 O ATOM 1128 CB VAL A 59 4.746 -2.955 -5.028 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.774 -1.770 -5.024 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.535 -2.845 -6.337 1.00 0.00 C ATOM 0 H VAL A 59 6.461 -4.749 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 59 6.258 -2.045 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 59 4.213 -3.904 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.149 -1.809 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.143 -1.820 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.338 -0.837 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.844 -2.848 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.107 -1.917 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.216 -3.692 -6.423 1.00 0.00 H new ATOM 1140 N LEU A 60 4.213 -4.092 -2.141 1.00 0.00 N ATOM 1141 CA LEU A 60 3.476 -4.235 -0.883 1.00 0.00 C ATOM 1142 C LEU A 60 4.373 -3.985 0.339 1.00 0.00 C ATOM 1143 O LEU A 60 3.963 -3.243 1.225 1.00 0.00 O ATOM 1144 CB LEU A 60 2.802 -5.618 -0.808 1.00 0.00 C ATOM 1145 CG LEU A 60 1.580 -5.758 -1.737 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.144 -7.218 -1.836 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.373 -4.963 -1.230 1.00 0.00 C ATOM 0 H LEU A 60 4.217 -4.936 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 60 2.698 -3.471 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.533 -6.384 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.491 -5.806 0.219 1.00 0.00 H new ATOM 0 HG LEU A 60 1.893 -5.371 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.280 -7.296 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.962 -7.816 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.878 -7.586 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.463 -5.093 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.089 -5.324 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.633 -3.906 -1.170 1.00 0.00 H new ATOM 1159 N PHE A 61 5.599 -4.515 0.392 1.00 0.00 N ATOM 1160 CA PHE A 61 6.566 -4.210 1.454 1.00 0.00 C ATOM 1161 C PHE A 61 6.792 -2.719 1.709 1.00 0.00 C ATOM 1162 O PHE A 61 6.552 -2.212 2.807 1.00 0.00 O ATOM 1163 CB PHE A 61 7.875 -5.005 1.277 1.00 0.00 C ATOM 1164 CG PHE A 61 9.050 -4.512 2.106 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.914 -3.519 1.601 1.00 0.00 C ATOM 1166 CD2 PHE A 61 9.275 -5.040 3.391 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.973 -3.034 2.390 1.00 0.00 C ATOM 1168 CE2 PHE A 61 10.333 -4.554 4.181 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.179 -3.547 3.682 1.00 0.00 C ATOM 0 H PHE A 61 5.952 -5.172 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 61 6.101 -4.556 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.685 -6.048 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.157 -4.979 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.762 -3.129 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.633 -5.821 3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.628 -2.267 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.496 -4.954 5.171 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.986 -3.168 4.291 1.00 0.00 H new ATOM 1179 N TYR A 62 7.172 -2.007 0.650 1.00 0.00 N ATOM 1180 CA TYR A 62 7.339 -0.556 0.669 1.00 0.00 C ATOM 1181 C TYR A 62 6.087 0.264 1.007 1.00 0.00 C ATOM 1182 O TYR A 62 6.155 1.211 1.788 1.00 0.00 O ATOM 1183 CB TYR A 62 8.040 -0.066 -0.602 1.00 0.00 C ATOM 1184 CG TYR A 62 9.536 -0.315 -0.679 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.407 0.264 0.266 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.062 -1.092 -1.729 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.798 0.080 0.152 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.451 -1.295 -1.834 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.325 -0.700 -0.899 1.00 0.00 C ATOM 1190 OH TYR A 62 13.673 -0.869 -1.006 1.00 0.00 O ATOM 0 H TYR A 62 7.375 -2.427 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 62 7.988 -0.365 1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.568 -0.545 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.865 1.006 -0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.006 0.850 1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.397 -1.534 -2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.463 0.537 0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.848 -1.907 -2.631 1.00 0.00 H new ATOM 0 HH TYR A 62 13.871 -1.433 -1.782 1.00 0.00 H new ATOM 1200 N LEU A 63 4.925 -0.138 0.481 1.00 0.00 N ATOM 1201 CA LEU A 63 3.627 0.450 0.805 1.00 0.00 C ATOM 1202 C LEU A 63 3.259 0.251 2.287 1.00 0.00 C ATOM 1203 O LEU A 63 2.851 1.202 2.950 1.00 0.00 O ATOM 1204 CB LEU A 63 2.586 -0.148 -0.159 1.00 0.00 C ATOM 1205 CG LEU A 63 1.124 0.191 0.171 1.00 0.00 C ATOM 1206 CD1 LEU A 63 0.876 1.696 0.194 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.203 -0.423 -0.882 1.00 0.00 C ATOM 0 H LEU A 63 4.863 -0.898 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 63 3.659 1.531 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.805 0.201 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.699 -1.232 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 63 0.917 -0.215 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.170 1.889 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.511 2.158 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.110 2.118 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.833 -0.181 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.454 -0.021 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.330 -1.506 -0.890 1.00 0.00 H new ATOM 1219 N GLY A 64 3.467 -0.944 2.842 1.00 0.00 N ATOM 1220 CA GLY A 64 3.238 -1.214 4.264 1.00 0.00 C ATOM 1221 C GLY A 64 4.176 -0.415 5.170 1.00 0.00 C ATOM 1222 O GLY A 64 3.730 0.176 6.151 1.00 0.00 O ATOM 0 H GLY A 64 3.799 -1.754 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.205 -0.974 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.373 -2.279 4.455 1.00 0.00 H new ATOM 1226 N GLN A 65 5.458 -0.308 4.809 1.00 0.00 N ATOM 1227 CA GLN A 65 6.416 0.571 5.492 1.00 0.00 C ATOM 1228 C GLN A 65 6.035 2.061 5.382 1.00 0.00 C ATOM 1229 O GLN A 65 6.257 2.821 6.329 1.00 0.00 O ATOM 1230 CB GLN A 65 7.834 0.308 4.955 1.00 0.00 C ATOM 1231 CG GLN A 65 8.378 -1.081 5.345 1.00 0.00 C ATOM 1232 CD GLN A 65 8.637 -1.234 6.843 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.286 -0.413 7.480 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.171 -2.296 7.467 1.00 0.00 N ATOM 0 H GLN A 65 5.864 -0.830 4.032 1.00 0.00 H new ATOM 0 HA GLN A 65 6.390 0.334 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.828 0.398 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.508 1.076 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.667 -1.844 5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.306 -1.265 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.628 -2.991 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.353 -2.423 8.463 1.00 0.00 H new ATOM 1243 N TYR A 66 5.394 2.481 4.284 1.00 0.00 N ATOM 1244 CA TYR A 66 4.815 3.818 4.140 1.00 0.00 C ATOM 1245 C TYR A 66 3.627 4.072 5.074 1.00 0.00 C ATOM 1246 O TYR A 66 3.640 5.015 5.862 1.00 0.00 O ATOM 1247 CB TYR A 66 4.549 4.151 2.662 1.00 0.00 C ATOM 1248 CG TYR A 66 3.784 5.437 2.408 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.375 5.465 2.455 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.497 6.609 2.092 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.685 6.663 2.188 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.810 7.803 1.804 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.400 7.830 1.843 1.00 0.00 C ATOM 1254 OH TYR A 66 1.745 8.983 1.556 1.00 0.00 O ATOM 0 H TYR A 66 5.263 1.892 3.461 1.00 0.00 H new ATOM 0 HA TYR A 66 5.561 4.535 4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.506 4.210 2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.995 3.325 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.825 4.567 2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.577 6.592 2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.607 6.689 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.361 8.697 1.554 1.00 0.00 H new ATOM 0 HH TYR A 66 0.811 8.909 1.844 1.00 0.00 H new ATOM 1264 N ILE A 67 2.649 3.160 5.069 1.00 0.00 N ATOM 1265 CA ILE A 67 1.475 3.178 5.958 1.00 0.00 C ATOM 1266 C ILE A 67 1.897 3.180 7.436 1.00 0.00 C ATOM 1267 O ILE A 67 1.330 3.928 8.236 1.00 0.00 O ATOM 1268 CB ILE A 67 0.556 1.976 5.632 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.055 2.110 4.218 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.563 1.821 6.679 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.545 0.776 3.636 1.00 0.00 C ATOM 0 H ILE A 67 2.649 2.365 4.430 1.00 0.00 H new ATOM 0 HA ILE A 67 0.917 4.098 5.786 1.00 0.00 H new ATOM 0 HB ILE A 67 1.176 1.080 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.890 2.810 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.690 2.539 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.189 0.968 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.121 1.661 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.172 2.725 6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.962 0.943 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.291 0.080 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.313 0.356 4.285 1.00 0.00 H new ATOM 1283 N MET A 68 2.926 2.397 7.782 1.00 0.00 N ATOM 1284 CA MET A 68 3.538 2.344 9.111 1.00 0.00 C ATOM 1285 C MET A 68 4.152 3.689 9.517 1.00 0.00 C ATOM 1286 O MET A 68 3.767 4.246 10.544 1.00 0.00 O ATOM 1287 CB MET A 68 4.586 1.216 9.142 1.00 0.00 C ATOM 1288 CG MET A 68 5.308 1.086 10.491 1.00 0.00 C ATOM 1289 SD MET A 68 6.766 0.002 10.469 1.00 0.00 S ATOM 1290 CE MET A 68 5.987 -1.598 10.129 1.00 0.00 C ATOM 0 H MET A 68 3.370 1.761 7.119 1.00 0.00 H new ATOM 0 HA MET A 68 2.759 2.131 9.843 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.097 0.270 8.908 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.324 1.395 8.360 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.615 2.079 10.821 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.602 0.708 11.231 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.752 -2.373 10.084 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.278 -1.833 10.923 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.461 -1.551 9.175 1.00 0.00 H new ATOM 1300 N THR A 69 5.077 4.242 8.722 1.00 0.00 N ATOM 1301 CA THR A 69 5.748 5.517 9.048 1.00 0.00 C ATOM 1302 C THR A 69 4.838 6.753 9.060 1.00 0.00 C ATOM 1303 O THR A 69 4.988 7.645 9.899 1.00 0.00 O ATOM 1304 CB THR A 69 7.043 5.700 8.236 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.925 6.551 8.935 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.833 6.303 6.847 1.00 0.00 C ATOM 0 H THR A 69 5.382 3.827 7.842 1.00 0.00 H new ATOM 0 HA THR A 69 6.039 5.431 10.095 1.00 0.00 H new ATOM 0 HB THR A 69 7.447 4.696 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.749 6.665 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.794 6.398 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.180 5.654 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.375 7.287 6.943 1.00 0.00 H new ATOM 1314 N LYS A 70 3.827 6.765 8.181 1.00 0.00 N ATOM 1315 CA LYS A 70 2.749 7.770 8.112 1.00 0.00 C ATOM 1316 C LYS A 70 1.654 7.582 9.177 1.00 0.00 C ATOM 1317 O LYS A 70 0.847 8.489 9.386 1.00 0.00 O ATOM 1318 CB LYS A 70 2.133 7.714 6.704 1.00 0.00 C ATOM 1319 CG LYS A 70 3.098 8.099 5.564 1.00 0.00 C ATOM 1320 CD LYS A 70 3.103 9.588 5.197 1.00 0.00 C ATOM 1321 CE LYS A 70 1.742 9.997 4.619 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.826 11.223 3.791 1.00 0.00 N ATOM 0 H LYS A 70 3.731 6.044 7.466 1.00 0.00 H new ATOM 0 HA LYS A 70 3.192 8.745 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.763 6.705 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.271 8.380 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.109 7.807 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.837 7.522 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.326 10.187 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.890 9.788 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.346 9.180 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.038 10.160 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.953 11.328 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.945 12.051 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.639 11.152 3.146 1.00 0.00 H new ATOM 1336 N ARG A 71 1.613 6.413 9.834 1.00 0.00 N ATOM 1337 CA ARG A 71 0.620 5.978 10.842 1.00 0.00 C ATOM 1338 C ARG A 71 -0.836 6.105 10.362 1.00 0.00 C ATOM 1339 O ARG A 71 -1.697 6.611 11.083 1.00 0.00 O ATOM 1340 CB ARG A 71 0.878 6.646 12.209 1.00 0.00 C ATOM 1341 CG ARG A 71 2.334 6.519 12.690 1.00 0.00 C ATOM 1342 CD ARG A 71 2.471 6.780 14.193 1.00 0.00 C ATOM 1343 NE ARG A 71 1.997 5.617 14.967 1.00 0.00 N ATOM 1344 CZ ARG A 71 1.664 5.562 16.240 1.00 0.00 C ATOM 1345 NH1 ARG A 71 1.699 6.603 17.023 1.00 0.00 N ATOM 1346 NH2 ARG A 71 1.289 4.422 16.744 1.00 0.00 N ATOM 0 H ARG A 71 2.318 5.695 9.668 1.00 0.00 H new ATOM 0 HA ARG A 71 0.764 4.907 10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.616 7.702 12.143 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.218 6.200 12.953 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.705 5.520 12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.959 7.224 12.142 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.513 6.987 14.438 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.897 7.665 14.468 1.00 0.00 H new ATOM 0 HE ARG A 71 1.917 4.742 14.449 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.993 7.508 16.656 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.432 6.513 18.003 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.257 3.590 16.155 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.028 4.361 17.728 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.116 5.667 9.128 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.455 5.776 8.510 1.00 0.00 C ATOM 1362 C LEU A 72 -3.487 4.773 9.065 1.00 0.00 C ATOM 1363 O LEU A 72 -4.673 4.886 8.760 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.368 5.664 6.973 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.406 6.642 6.283 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.389 6.390 4.777 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.800 8.097 6.528 1.00 0.00 C ATOM 0 H LEU A 72 -0.423 5.225 8.524 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.819 6.767 8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.067 4.648 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.366 5.814 6.560 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.417 6.471 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.703 7.090 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.060 5.369 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.392 6.531 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.093 8.755 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.803 8.273 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.785 8.303 7.598 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.067 3.792 9.865 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.972 2.872 10.560 1.00 0.00 C ATOM 1381 C TYR A 73 -4.935 3.502 11.586 1.00 0.00 C ATOM 1382 O TYR A 73 -4.583 4.492 12.234 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.213 1.665 11.139 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.937 2.002 11.898 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.020 2.616 13.164 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.674 1.692 11.355 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.850 2.916 13.888 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.499 1.970 12.088 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.412 2.580 13.358 1.00 0.00 C ATOM 1390 OH TYR A 73 1.537 2.841 14.080 1.00 0.00 O ATOM 0 H TYR A 73 -2.081 3.611 10.051 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.644 2.524 9.775 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.882 1.123 11.808 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.962 0.988 10.322 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.986 2.858 13.581 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.604 1.241 10.376 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.920 3.403 14.849 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.465 1.716 11.677 1.00 0.00 H new ATOM 0 HH TYR A 73 2.325 2.549 13.576 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.133 2.937 11.780 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.990 3.316 12.916 1.00 0.00 C ATOM 1402 C ASP A 74 -6.391 2.877 14.266 1.00 0.00 C ATOM 1403 O ASP A 74 -6.013 1.716 14.417 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.456 2.895 12.706 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.353 2.943 13.954 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.140 3.789 14.851 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.296 2.125 14.034 1.00 0.00 O ATOM 0 H ASP A 74 -6.531 2.221 11.172 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.015 4.405 12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.893 3.539 11.943 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.469 1.879 12.311 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.295 3.769 15.256 1.00 0.00 N ATOM 1413 CA GLU A 75 -5.768 3.436 16.589 1.00 0.00 C ATOM 1414 C GLU A 75 -6.572 2.326 17.299 1.00 0.00 C ATOM 1415 O GLU A 75 -5.997 1.544 18.062 1.00 0.00 O ATOM 1416 CB GLU A 75 -5.679 4.705 17.458 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.034 5.354 17.797 1.00 0.00 C ATOM 1418 CD GLU A 75 -6.914 6.659 18.616 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -5.794 7.067 19.014 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -7.964 7.293 18.881 1.00 0.00 O ATOM 0 H GLU A 75 -6.580 4.744 15.159 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.766 3.032 16.445 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.169 4.456 18.388 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.060 5.439 16.942 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.567 5.566 16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.639 4.640 18.356 1.00 0.00 H new ATOM 1427 N LYS A 76 -7.881 2.214 17.022 1.00 0.00 N ATOM 1428 CA LYS A 76 -8.736 1.119 17.509 1.00 0.00 C ATOM 1429 C LYS A 76 -8.574 -0.126 16.633 1.00 0.00 C ATOM 1430 O LYS A 76 -8.092 -1.153 17.116 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.209 1.570 17.616 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.444 2.866 18.413 1.00 0.00 C ATOM 1433 CD LYS A 76 -9.928 2.807 19.858 1.00 0.00 C ATOM 1434 CE LYS A 76 -10.279 4.111 20.586 1.00 0.00 C ATOM 1435 NZ LYS A 76 -9.815 4.095 21.998 1.00 0.00 N ATOM 0 H LYS A 76 -8.382 2.890 16.446 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.414 0.850 18.515 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.604 1.705 16.609 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.784 0.769 18.079 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.956 3.693 17.896 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.512 3.084 18.427 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.371 1.958 20.378 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.849 2.656 19.863 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.825 4.953 20.063 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.358 4.264 20.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.070 4.992 22.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.268 3.307 22.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.782 3.975 22.023 1.00 0.00 H new ATOM 1449 N GLN A 77 -8.922 -0.035 15.347 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.859 -1.131 14.374 1.00 0.00 C ATOM 1451 C GLN A 77 -7.593 -1.012 13.511 1.00 0.00 C ATOM 1452 O GLN A 77 -7.644 -0.538 12.378 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.136 -1.136 13.508 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.440 -1.303 14.310 1.00 0.00 C ATOM 1455 CD GLN A 77 -12.649 -0.644 13.646 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -13.594 -1.300 13.223 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -12.628 0.654 13.427 1.00 0.00 N ATOM 0 H GLN A 77 -9.268 0.834 14.939 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.805 -2.081 14.906 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.185 -0.203 12.946 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.065 -1.943 12.779 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.642 -2.366 14.443 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.304 -0.877 15.304 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.850 1.217 13.771 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.390 1.097 12.913 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.441 -1.469 14.014 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.167 -1.361 13.279 1.00 0.00 C ATOM 1468 C GLN A 78 -5.113 -2.223 12.003 1.00 0.00 C ATOM 1469 O GLN A 78 -4.274 -1.999 11.133 1.00 0.00 O ATOM 1470 CB GLN A 78 -3.987 -1.634 14.222 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.627 -0.390 15.049 1.00 0.00 C ATOM 1472 CD GLN A 78 -2.480 -0.620 16.030 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.298 -1.692 16.594 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -1.681 0.384 16.308 1.00 0.00 N ATOM 0 H GLN A 78 -6.360 -1.918 14.926 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.091 -0.335 12.919 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.238 -2.457 14.891 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.121 -1.949 13.640 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.358 0.421 14.372 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.508 -0.064 15.602 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.816 1.285 15.849 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.926 0.263 16.983 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.044 -3.170 11.852 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.276 -3.917 10.613 1.00 0.00 C ATOM 1485 C HIS A 79 -7.026 -3.094 9.536 1.00 0.00 C ATOM 1486 O HIS A 79 -7.295 -3.614 8.452 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.996 -5.229 10.960 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.450 -5.083 11.343 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.958 -4.922 12.615 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.519 -5.143 10.489 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.299 -4.880 12.526 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.690 -5.008 11.245 1.00 0.00 N ATOM 0 H HIS A 79 -6.672 -3.445 12.607 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.312 -4.144 10.157 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.928 -5.900 10.103 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.466 -5.709 11.783 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.468 -5.272 9.418 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.968 -4.760 13.365 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.648 -5.007 10.895 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.372 -1.827 9.808 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.007 -0.875 8.884 1.00 0.00 C ATOM 1502 C ILE A 80 -7.100 0.346 8.679 1.00 0.00 C ATOM 1503 O ILE A 80 -6.593 0.931 9.639 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.422 -0.469 9.372 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.280 -1.719 9.677 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.118 0.434 8.336 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.720 -1.423 10.110 1.00 0.00 C ATOM 0 H ILE A 80 -7.208 -1.417 10.727 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.139 -1.364 7.919 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.312 0.097 10.297 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.306 -2.350 8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.791 -2.295 10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.109 0.707 8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.526 1.337 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.212 -0.102 7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.242 -2.360 10.301 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.710 -0.821 11.019 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.233 -0.877 9.318 1.00 0.00 H new ATOM 1519 N VAL A 81 -6.909 0.739 7.418 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.076 1.868 6.979 1.00 0.00 C ATOM 1521 C VAL A 81 -6.941 3.003 6.434 1.00 0.00 C ATOM 1522 O VAL A 81 -7.762 2.788 5.544 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.035 1.417 5.933 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.075 2.553 5.565 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.199 0.228 6.428 1.00 0.00 C ATOM 0 H VAL A 81 -7.351 0.257 6.635 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.535 2.243 7.848 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.608 1.118 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.357 2.197 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.641 3.387 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.544 2.884 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.480 -0.056 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.667 0.510 7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.856 -0.616 6.639 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.738 4.216 6.950 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.421 5.454 6.569 1.00 0.00 C ATOM 1537 C TYR A 82 -6.663 6.353 5.584 1.00 0.00 C ATOM 1538 O TYR A 82 -6.129 7.403 5.948 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.005 6.168 7.799 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.260 5.509 8.340 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.152 4.385 9.184 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.530 6.001 7.985 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.312 3.752 9.670 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.693 5.369 8.468 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.588 4.241 9.311 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.716 3.637 9.775 1.00 0.00 O ATOM 0 H TYR A 82 -6.052 4.370 7.689 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.271 5.154 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.251 6.196 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.231 7.202 7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.178 4.009 9.458 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.613 6.864 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.226 2.892 10.318 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.666 5.748 8.193 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.504 4.106 9.429 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.574 5.912 4.329 1.00 0.00 N ATOM 1557 CA CYS A 83 -5.874 6.600 3.239 1.00 0.00 C ATOM 1558 C CYS A 83 -6.497 7.936 2.765 1.00 0.00 C ATOM 1559 O CYS A 83 -5.907 8.618 1.923 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.650 5.598 2.092 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.164 4.677 1.673 1.00 0.00 S ATOM 0 H CYS A 83 -7.002 5.035 4.031 1.00 0.00 H new ATOM 0 HA CYS A 83 -4.918 6.935 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.296 6.132 1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.866 4.895 2.374 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.986 5.459 1.039 1.00 0.00 H new ATOM 1567 N SER A 84 -7.655 8.336 3.305 1.00 0.00 N ATOM 1568 CA SER A 84 -8.377 9.578 2.980 1.00 0.00 C ATOM 1569 C SER A 84 -7.478 10.822 2.934 1.00 0.00 C ATOM 1570 O SER A 84 -6.707 11.084 3.861 1.00 0.00 O ATOM 1571 CB SER A 84 -9.494 9.815 4.004 1.00 0.00 C ATOM 1572 OG SER A 84 -10.207 11.003 3.697 1.00 0.00 O ATOM 0 H SER A 84 -8.137 7.780 4.011 1.00 0.00 H new ATOM 0 HA SER A 84 -8.782 9.436 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.177 8.965 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.068 9.888 5.005 1.00 0.00 H new ATOM 0 HG SER A 84 -10.193 11.603 4.472 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.609 11.600 1.852 1.00 0.00 N ATOM 1579 CA ASN A 85 -6.906 12.865 1.582 1.00 0.00 C ATOM 1580 C ASN A 85 -5.359 12.804 1.518 1.00 0.00 C ATOM 1581 O ASN A 85 -4.716 13.826 1.259 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.456 13.973 2.509 1.00 0.00 C ATOM 1583 CG ASN A 85 -8.851 14.432 2.116 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.031 15.454 1.468 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -9.890 13.728 2.512 1.00 0.00 N ATOM 0 H ASN A 85 -8.246 11.350 1.095 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.136 13.119 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.475 13.605 3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.779 14.827 2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.834 14.036 2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.751 12.874 3.053 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.745 11.632 1.704 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.310 11.401 1.502 1.00 0.00 C ATOM 1594 C ASP A 86 -2.985 11.054 0.030 1.00 0.00 C ATOM 1595 O ASP A 86 -3.880 10.731 -0.757 1.00 0.00 O ATOM 1596 CB ASP A 86 -2.849 10.270 2.444 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.337 10.054 2.354 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.593 11.049 2.504 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -0.894 8.932 2.025 1.00 0.00 O ATOM 0 H ASP A 86 -5.244 10.796 2.007 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.772 12.320 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.123 10.514 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.367 9.346 2.187 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.696 11.051 -0.336 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.196 10.510 -1.606 1.00 0.00 C ATOM 1606 C LEU A 87 -1.715 9.078 -1.846 1.00 0.00 C ATOM 1607 O LEU A 87 -2.170 8.767 -2.946 1.00 0.00 O ATOM 1608 CB LEU A 87 0.343 10.572 -1.577 1.00 0.00 C ATOM 1609 CG LEU A 87 1.066 9.826 -2.715 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.703 10.350 -4.102 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.573 9.996 -2.536 1.00 0.00 C ATOM 0 H LEU A 87 -0.957 11.432 0.255 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.565 11.106 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.646 11.619 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.686 10.165 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 87 0.755 8.783 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.245 9.783 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.369 10.238 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.973 11.403 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.096 9.472 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.826 11.056 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.874 9.582 -1.574 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.727 8.223 -0.815 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.232 6.851 -0.921 1.00 0.00 C ATOM 1625 C LEU A 88 -3.729 6.772 -1.281 1.00 0.00 C ATOM 1626 O LEU A 88 -4.142 5.876 -2.016 1.00 0.00 O ATOM 1627 CB LEU A 88 -1.931 6.125 0.398 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.373 4.653 0.413 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.704 3.851 -0.705 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.010 4.035 1.760 1.00 0.00 C ATOM 0 H LEU A 88 -1.386 8.465 0.116 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.721 6.362 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.860 6.175 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.428 6.652 1.213 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.451 4.621 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.041 2.815 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.972 4.280 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.622 3.886 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.321 2.990 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.932 4.095 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.517 4.578 2.558 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.535 7.725 -0.808 1.00 0.00 N ATOM 1643 CA GLY A 89 -5.952 7.846 -1.169 1.00 0.00 C ATOM 1644 C GLY A 89 -6.182 8.102 -2.663 1.00 0.00 C ATOM 1645 O GLY A 89 -7.180 7.635 -3.213 1.00 0.00 O ATOM 0 H GLY A 89 -4.220 8.443 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.472 6.932 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.397 8.660 -0.596 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.241 8.761 -3.346 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.263 8.915 -4.807 1.00 0.00 C ATOM 1651 C ASP A 90 -4.929 7.642 -5.604 1.00 0.00 C ATOM 1652 O ASP A 90 -5.435 7.457 -6.714 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.423 10.124 -5.263 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.050 11.503 -4.973 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.251 11.603 -4.623 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.332 12.519 -5.139 1.00 0.00 O ATOM 0 H ASP A 90 -4.438 9.205 -2.901 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.307 9.113 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.449 10.075 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.247 10.041 -6.335 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.125 6.738 -5.028 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.874 5.403 -5.573 1.00 0.00 C ATOM 1663 C LEU A 91 -5.058 4.452 -5.328 1.00 0.00 C ATOM 1664 O LEU A 91 -5.612 3.914 -6.287 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.578 4.819 -4.975 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.241 5.325 -5.544 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -1.198 5.295 -7.074 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.849 6.712 -5.052 1.00 0.00 C ATOM 0 H LEU A 91 -3.625 6.919 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.756 5.503 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.583 5.017 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.608 3.737 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.507 4.618 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.231 5.663 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.342 4.272 -7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.990 5.929 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.104 7.000 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.616 7.431 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.754 6.700 -3.966 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.458 4.242 -4.068 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.578 3.355 -3.727 1.00 0.00 C ATOM 1682 C PHE A 92 -7.991 3.805 -4.140 1.00 0.00 C ATOM 1683 O PHE A 92 -8.874 2.972 -4.350 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.497 2.827 -2.281 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.504 1.702 -2.019 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.555 0.515 -2.774 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.576 1.802 -0.968 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.660 -0.541 -2.517 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.695 0.739 -0.692 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.729 -0.428 -1.474 1.00 0.00 C ATOM 0 H PHE A 92 -5.017 4.680 -3.259 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.421 2.509 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.246 3.662 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.488 2.481 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.289 0.413 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.539 2.700 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.690 -1.436 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.991 0.821 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.040 -1.235 -1.273 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.214 5.116 -4.290 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.495 5.689 -4.726 1.00 0.00 C ATOM 1702 C GLY A 93 -10.620 5.625 -3.680 1.00 0.00 C ATOM 1703 O GLY A 93 -11.795 5.732 -4.040 1.00 0.00 O ATOM 0 H GLY A 93 -7.499 5.820 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.335 6.731 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.823 5.167 -5.625 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.280 5.436 -2.400 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.218 5.271 -1.269 1.00 0.00 C ATOM 1709 C VAL A 94 -10.687 6.020 -0.033 1.00 0.00 C ATOM 1710 O VAL A 94 -9.474 6.221 0.093 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.417 3.779 -0.901 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.307 3.068 -1.923 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.114 2.985 -0.750 1.00 0.00 C ATOM 0 H VAL A 94 -9.305 5.391 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.178 5.683 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.898 3.803 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.427 2.023 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.284 3.551 -1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.845 3.123 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.345 1.952 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.562 3.010 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.507 3.429 0.039 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.568 6.417 0.909 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.162 7.017 2.183 1.00 0.00 C ATOM 1725 C PRO A 95 -10.500 6.014 3.145 1.00 0.00 C ATOM 1726 O PRO A 95 -9.700 6.411 3.997 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.455 7.584 2.781 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.540 6.665 2.220 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.023 6.357 0.819 1.00 0.00 C ATOM 0 HA PRO A 95 -10.400 7.780 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.436 7.564 3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.614 8.621 2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.654 5.761 2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.513 7.155 2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.354 5.373 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.400 7.080 0.096 1.00 0.00 H new ATOM 1737 N SER A 96 -10.815 4.721 3.023 1.00 0.00 N ATOM 1738 CA SER A 96 -10.254 3.646 3.849 1.00 0.00 C ATOM 1739 C SER A 96 -10.417 2.260 3.212 1.00 0.00 C ATOM 1740 O SER A 96 -11.252 2.061 2.324 1.00 0.00 O ATOM 1741 CB SER A 96 -10.896 3.653 5.246 1.00 0.00 C ATOM 1742 OG SER A 96 -12.293 3.407 5.179 1.00 0.00 O ATOM 0 H SER A 96 -11.484 4.384 2.330 1.00 0.00 H new ATOM 0 HA SER A 96 -9.185 3.842 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.422 2.895 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.718 4.616 5.724 1.00 0.00 H new ATOM 0 HG SER A 96 -12.671 3.416 6.083 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.632 1.289 3.686 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.739 -0.131 3.320 1.00 0.00 C ATOM 1750 C PHE A 97 -9.248 -0.968 4.522 1.00 0.00 C ATOM 1751 O PHE A 97 -8.477 -0.489 5.359 1.00 0.00 O ATOM 1752 CB PHE A 97 -8.874 -0.395 2.069 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.370 -0.373 2.293 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.723 -1.536 2.747 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.618 0.795 2.068 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.344 -1.526 3.011 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.230 0.799 2.311 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.593 -0.364 2.785 1.00 0.00 C ATOM 0 H PHE A 97 -8.883 1.471 4.354 1.00 0.00 H new ATOM 0 HA PHE A 97 -10.768 -0.405 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.148 -1.367 1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.122 0.351 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.291 -2.443 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.105 1.689 1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.861 -2.415 3.389 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.654 1.695 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.530 -0.361 2.974 1.00 0.00 H new ATOM 1768 N SER A 98 -9.672 -2.233 4.613 1.00 0.00 N ATOM 1769 CA SER A 98 -9.166 -3.197 5.606 1.00 0.00 C ATOM 1770 C SER A 98 -8.113 -4.139 5.011 1.00 0.00 C ATOM 1771 O SER A 98 -8.284 -4.681 3.917 1.00 0.00 O ATOM 1772 CB SER A 98 -10.318 -3.967 6.264 1.00 0.00 C ATOM 1773 OG SER A 98 -11.036 -4.751 5.327 1.00 0.00 O ATOM 0 H SER A 98 -10.383 -2.624 3.995 1.00 0.00 H new ATOM 0 HA SER A 98 -8.663 -2.627 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.922 -4.612 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.998 -3.263 6.744 1.00 0.00 H new ATOM 0 HG SER A 98 -11.760 -5.227 5.785 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.018 -4.368 5.745 1.00 0.00 N ATOM 1780 CA VAL A 99 -5.949 -5.316 5.373 1.00 0.00 C ATOM 1781 C VAL A 99 -6.425 -6.769 5.319 1.00 0.00 C ATOM 1782 O VAL A 99 -5.941 -7.558 4.506 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.692 -5.168 6.247 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.490 -5.879 5.614 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.288 -3.708 6.505 1.00 0.00 C ATOM 0 H VAL A 99 -6.842 -3.894 6.631 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.667 -5.042 4.356 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.961 -5.625 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.616 -5.757 6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.713 -6.940 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.285 -5.446 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.394 -3.683 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.083 -3.214 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.100 -3.190 7.015 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.422 -7.102 6.150 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.066 -8.422 6.213 1.00 0.00 C ATOM 1797 C LYS A 100 -8.748 -8.810 4.895 1.00 0.00 C ATOM 1798 O LYS A 100 -8.758 -9.984 4.525 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.061 -8.409 7.391 1.00 0.00 C ATOM 1800 CG LYS A 100 -9.606 -9.788 7.800 1.00 0.00 C ATOM 1801 CD LYS A 100 -8.468 -10.747 8.187 1.00 0.00 C ATOM 1802 CE LYS A 100 -8.902 -11.944 9.040 1.00 0.00 C ATOM 1803 NZ LYS A 100 -9.272 -11.555 10.429 1.00 0.00 N ATOM 0 H LYS A 100 -7.815 -6.439 6.818 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.305 -9.185 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.572 -7.958 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.902 -7.766 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.291 -9.676 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.179 -10.214 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.999 -11.118 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.708 -10.187 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.752 -12.434 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.092 -12.673 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.638 -12.386 10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.433 -11.190 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.005 -10.817 10.399 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.268 -7.833 4.152 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.770 -8.002 2.783 1.00 0.00 C ATOM 1819 C GLU A 101 -8.653 -7.981 1.742 1.00 0.00 C ATOM 1820 O GLU A 101 -8.477 -7.063 0.936 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.897 -7.015 2.508 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.189 -7.586 3.098 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.822 -8.708 2.248 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -12.300 -9.035 1.160 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.856 -9.288 2.653 1.00 0.00 O ATOM 0 H GLU A 101 -9.355 -6.875 4.492 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.199 -9.000 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.671 -6.047 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.008 -6.854 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.981 -7.973 4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.912 -6.779 3.213 1.00 0.00 H new ATOM 1832 N HIS A 102 -7.900 -9.072 1.781 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.716 -9.297 0.944 1.00 0.00 C ATOM 1834 C HIS A 102 -7.060 -9.183 -0.554 1.00 0.00 C ATOM 1835 O HIS A 102 -6.406 -8.447 -1.293 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.094 -10.673 1.237 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.684 -10.970 2.664 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.113 -10.110 3.580 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.524 -12.233 3.166 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.634 -10.835 4.607 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -4.871 -12.140 4.402 1.00 0.00 N ATOM 0 H HIS A 102 -8.096 -9.850 2.411 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.989 -8.522 1.189 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.808 -11.437 0.927 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.213 -10.784 0.605 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.063 -9.095 3.493 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -5.847 -13.147 2.690 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.132 -10.426 5.471 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.137 -9.853 -0.991 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.667 -9.833 -2.372 1.00 0.00 C ATOM 1851 C ARG A 103 -9.016 -8.424 -2.871 1.00 0.00 C ATOM 1852 O ARG A 103 -8.742 -8.099 -4.028 1.00 0.00 O ATOM 1853 CB ARG A 103 -9.880 -10.789 -2.476 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.006 -10.474 -1.473 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.178 -11.460 -1.520 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.101 -11.154 -0.415 1.00 0.00 N ATOM 1857 CZ ARG A 103 -14.195 -11.783 -0.043 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -14.666 -12.810 -0.694 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -14.835 -11.376 1.015 1.00 0.00 N ATOM 0 H ARG A 103 -8.687 -10.448 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.872 -10.182 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.283 -10.741 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.539 -11.812 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.590 -10.468 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.382 -9.470 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.696 -11.385 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.813 -12.484 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.857 -10.336 0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.183 -13.153 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.518 -13.270 -0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.487 -10.577 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.684 -11.856 1.313 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.568 -7.575 -1.998 1.00 0.00 N ATOM 1874 CA LYS A 104 -9.938 -6.184 -2.311 1.00 0.00 C ATOM 1875 C LYS A 104 -8.691 -5.326 -2.541 1.00 0.00 C ATOM 1876 O LYS A 104 -8.648 -4.555 -3.495 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.832 -5.635 -1.187 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.491 -4.295 -1.555 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.357 -3.722 -0.422 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.573 -4.607 -0.111 1.00 0.00 C ATOM 1881 NZ LYS A 104 -14.455 -3.987 0.914 1.00 0.00 N ATOM 0 H LYS A 104 -9.776 -7.837 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.506 -6.153 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.607 -6.365 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.236 -5.506 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.716 -3.574 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.108 -4.431 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.750 -3.614 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.698 -2.724 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.142 -4.779 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.234 -5.581 0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.265 -4.612 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.919 -3.846 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.798 -3.069 0.567 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.645 -5.517 -1.733 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.341 -4.881 -1.966 1.00 0.00 C ATOM 1897 C ILE A 105 -5.724 -5.391 -3.269 1.00 0.00 C ATOM 1898 O ILE A 105 -5.400 -4.584 -4.135 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.393 -5.057 -0.761 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -5.956 -4.282 0.446 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -3.973 -4.567 -1.106 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.381 -4.746 1.783 1.00 0.00 C ATOM 0 H ILE A 105 -7.675 -6.111 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.500 -3.808 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.327 -6.116 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.746 -3.220 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.040 -4.393 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.322 -4.701 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.584 -5.142 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.008 -3.511 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.819 -4.160 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.613 -5.800 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.300 -4.610 1.781 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.621 -6.709 -3.464 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.058 -7.285 -4.687 1.00 0.00 C ATOM 1916 C TYR A 106 -5.665 -6.820 -6.014 1.00 0.00 C ATOM 1917 O TYR A 106 -4.935 -6.458 -6.939 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.939 -8.812 -4.597 1.00 0.00 C ATOM 1919 CG TYR A 106 -3.790 -9.310 -3.746 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -2.462 -8.988 -4.091 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -4.049 -10.108 -2.616 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -1.399 -9.460 -3.301 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -2.989 -10.568 -1.816 1.00 0.00 C ATOM 1924 CZ TYR A 106 -1.661 -10.243 -2.160 1.00 0.00 C ATOM 1925 OH TYR A 106 -0.629 -10.674 -1.395 1.00 0.00 O ATOM 0 H TYR A 106 -5.924 -7.403 -2.781 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.055 -6.860 -4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.870 -9.212 -4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.828 -9.214 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.261 -8.380 -4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.066 -10.368 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.380 -9.222 -3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.191 -11.168 -0.941 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.961 -10.918 -0.506 1.00 0.00 H new ATOM 1935 N THR A 107 -6.997 -6.750 -6.088 1.00 0.00 N ATOM 1936 CA THR A 107 -7.691 -6.189 -7.255 1.00 0.00 C ATOM 1937 C THR A 107 -7.436 -4.699 -7.522 1.00 0.00 C ATOM 1938 O THR A 107 -7.269 -4.292 -8.673 1.00 0.00 O ATOM 1939 CB THR A 107 -9.175 -6.588 -7.281 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.621 -6.598 -8.611 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.092 -5.637 -6.521 1.00 0.00 C ATOM 0 H THR A 107 -7.621 -7.076 -5.350 1.00 0.00 H new ATOM 0 HA THR A 107 -7.223 -6.660 -8.119 1.00 0.00 H new ATOM 0 HB THR A 107 -9.226 -7.564 -6.799 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.567 -6.853 -8.637 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.121 -5.991 -6.589 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.790 -5.599 -5.474 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.022 -4.640 -6.955 1.00 0.00 H new ATOM 1949 N MET A 108 -7.306 -3.884 -6.465 1.00 0.00 N ATOM 1950 CA MET A 108 -6.898 -2.477 -6.585 1.00 0.00 C ATOM 1951 C MET A 108 -5.415 -2.319 -6.963 1.00 0.00 C ATOM 1952 O MET A 108 -5.082 -1.483 -7.802 1.00 0.00 O ATOM 1953 CB MET A 108 -7.200 -1.707 -5.292 1.00 0.00 C ATOM 1954 CG MET A 108 -8.702 -1.560 -5.015 1.00 0.00 C ATOM 1955 SD MET A 108 -9.137 -0.454 -3.635 1.00 0.00 S ATOM 1956 CE MET A 108 -8.447 -1.330 -2.201 1.00 0.00 C ATOM 0 H MET A 108 -7.480 -4.181 -5.505 1.00 0.00 H new ATOM 0 HA MET A 108 -7.486 -2.053 -7.399 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.731 -2.220 -4.453 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.749 -0.716 -5.353 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.187 -1.193 -5.919 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.115 -2.548 -4.811 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.486 -0.682 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.029 -2.232 -2.011 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.411 -1.602 -2.405 1.00 0.00 H new ATOM 1966 N MET A 109 -4.522 -3.142 -6.399 1.00 0.00 N ATOM 1967 CA MET A 109 -3.082 -3.135 -6.700 1.00 0.00 C ATOM 1968 C MET A 109 -2.793 -3.546 -8.148 1.00 0.00 C ATOM 1969 O MET A 109 -1.893 -2.988 -8.774 1.00 0.00 O ATOM 1970 CB MET A 109 -2.317 -4.055 -5.731 1.00 0.00 C ATOM 1971 CG MET A 109 -2.287 -3.539 -4.286 1.00 0.00 C ATOM 1972 SD MET A 109 -1.375 -1.999 -3.990 1.00 0.00 S ATOM 1973 CE MET A 109 0.340 -2.542 -4.218 1.00 0.00 C ATOM 0 H MET A 109 -4.783 -3.845 -5.708 1.00 0.00 H new ATOM 0 HA MET A 109 -2.736 -2.110 -6.569 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.775 -5.044 -5.745 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.293 -4.173 -6.087 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.315 -3.395 -3.955 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.855 -4.317 -3.656 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.959 -2.138 -3.417 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.383 -3.631 -4.196 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.710 -2.184 -5.178 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.591 -4.456 -8.719 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.495 -4.838 -10.130 1.00 0.00 C ATOM 1985 C ALA A 110 -3.703 -3.632 -11.071 1.00 0.00 C ATOM 1986 O ALA A 110 -2.953 -3.452 -12.034 1.00 0.00 O ATOM 1987 CB ALA A 110 -4.514 -5.953 -10.388 1.00 0.00 C ATOM 0 H ALA A 110 -4.325 -4.950 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.491 -5.203 -10.345 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.464 -6.257 -11.434 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.288 -6.808 -9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.517 -5.589 -10.164 1.00 0.00 H new ATOM 1993 N SER A 111 -4.651 -2.742 -10.753 1.00 0.00 N ATOM 1994 CA SER A 111 -4.887 -1.497 -11.502 1.00 0.00 C ATOM 1995 C SER A 111 -3.741 -0.474 -11.402 1.00 0.00 C ATOM 1996 O SER A 111 -3.628 0.399 -12.262 1.00 0.00 O ATOM 1997 CB SER A 111 -6.200 -0.843 -11.054 1.00 0.00 C ATOM 1998 OG SER A 111 -7.299 -1.666 -11.414 1.00 0.00 O ATOM 0 H SER A 111 -5.283 -2.865 -9.962 1.00 0.00 H new ATOM 0 HA SER A 111 -4.946 -1.793 -12.549 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.189 -0.688 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.303 0.139 -11.516 1.00 0.00 H new ATOM 0 HG SER A 111 -8.134 -1.243 -11.123 1.00 0.00 H new ATOM 2004 N MET A 112 -2.860 -0.585 -10.399 1.00 0.00 N ATOM 2005 CA MET A 112 -1.677 0.280 -10.242 1.00 0.00 C ATOM 2006 C MET A 112 -0.454 -0.172 -11.060 1.00 0.00 C ATOM 2007 O MET A 112 0.555 0.533 -11.071 1.00 0.00 O ATOM 2008 CB MET A 112 -1.286 0.411 -8.763 1.00 0.00 C ATOM 2009 CG MET A 112 -2.437 0.883 -7.874 1.00 0.00 C ATOM 2010 SD MET A 112 -1.951 1.137 -6.150 1.00 0.00 S ATOM 2011 CE MET A 112 -3.584 1.056 -5.381 1.00 0.00 C ATOM 0 H MET A 112 -2.947 -1.286 -9.663 1.00 0.00 H new ATOM 0 HA MET A 112 -1.978 1.250 -10.639 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.929 -0.553 -8.402 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.456 1.112 -8.674 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.836 1.815 -8.273 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.242 0.149 -7.913 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.562 1.578 -4.424 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.318 1.528 -6.035 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.859 0.014 -5.220 1.00 0.00 H new ATOM 2021 N THR A 113 -0.521 -1.327 -11.733 1.00 0.00 N ATOM 2022 CA THR A 113 0.573 -1.883 -12.558 1.00 0.00 C ATOM 2023 C THR A 113 0.186 -2.382 -13.957 1.00 0.00 C ATOM 2024 O THR A 113 0.983 -2.273 -14.891 1.00 0.00 O ATOM 2025 CB THR A 113 1.459 -2.892 -11.796 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.948 -4.196 -11.965 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.583 -2.649 -10.287 1.00 0.00 C ATOM 0 H THR A 113 -1.352 -1.918 -11.723 1.00 0.00 H new ATOM 0 HA THR A 113 1.183 -1.003 -12.762 1.00 0.00 H new ATOM 0 HB THR A 113 2.452 -2.762 -12.226 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.513 -4.834 -11.482 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.226 -3.412 -9.847 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.016 -1.664 -10.111 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.595 -2.698 -9.828 1.00 0.00 H new