USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=33 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 77 GLN : amide:sc= 0.224 K(o=1.2,f=-0.6) USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.653 K(o=1.2,f=-2.6) USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 100 LYS NZ :NH3+ 155:sc= 0.371 (180deg=0) USER MOD Set 2.1: A 65 GLN : amide:sc= 0.502 K(o=0.38,f=-0.27) USER MOD Set 2.2: A 68 MET CE :methyl -175:sc= -0.125 (180deg=-0.173) USER MOD Set 3.1: A -8 PHE N :NH3+ 142:sc= 0.487 (180deg=-1.41!) USER MOD Set 3.2: A 78 GLN : amide:sc= 0.502 K(o=0.99,f=-7.4!) USER MOD Single : A 0 MET CE :methyl -163:sc= 0 (180deg=-0.611) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 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+ -137:sc= 2.04 (180deg=0.333) USER MOD Single : A 46 SER OG : rot 66:sc= 0.477 USER MOD Single : A 50 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.02) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 150:sc= 0.0247 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 56 MET CE :methyl -133:sc= -0.0209 (180deg=-0.0715) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.17) USER MOD Single : A 73 TYR OH : rot 180:sc= 0.666 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.01) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 130:sc= -0.242 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.276 X(o=0.28,f=-0.061) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 0.00762 K(o=0.0076,f=-0.93) USER MOD Single : A 104 LYS NZ :NH3+ -114:sc= 0.0135 (180deg=0) USER MOD Single : A 106 TYR OH : rot -5:sc= 1.24 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -175:sc= -0.0664 (180deg=-0.0782) USER MOD Single : A 109 MET CE :methyl -122:sc= -0.0134 (180deg=-0.204) USER MOD Single : A 111 SER OG : rot 77:sc= 0.472 USER MOD Single : A 112 MET CE :methyl -160:sc= 0 (180deg=-0.289) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.732 -3.613 12.983 1.00 0.00 N ATOM 59 CA PHE A -8 -0.857 -3.387 11.538 1.00 0.00 C ATOM 60 C PHE A -8 -0.001 -4.287 10.637 1.00 0.00 C ATOM 61 O PHE A -8 -0.502 -4.919 9.705 1.00 0.00 O ATOM 62 CB PHE A -8 -0.716 -1.891 11.195 1.00 0.00 C ATOM 63 CG PHE A -8 -0.388 -1.635 9.736 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.408 -1.695 8.770 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.949 -1.441 9.333 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.091 -1.591 7.404 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.266 -1.344 7.968 1.00 0.00 C ATOM 68 CZ PHE A -8 0.248 -1.431 7.004 1.00 0.00 C ATOM 0 H1 PHE A -8 -0.766 -2.701 13.481 1.00 0.00 H new ATOM 0 H2 PHE A -8 -1.515 -4.215 13.309 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.173 -4.084 13.184 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.871 -3.705 11.297 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.645 -1.379 11.446 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.066 -1.455 11.817 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.436 -1.821 9.077 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.730 -1.367 10.075 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -1.875 -1.634 6.663 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.291 -1.203 7.660 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.494 -1.375 5.954 1.00 0.00 H new ATOM 78 N TRP A -7 1.297 -4.372 10.944 1.00 0.00 N ATOM 79 CA TRP A -7 2.268 -5.080 10.104 1.00 0.00 C ATOM 80 C TRP A -7 2.070 -6.603 10.099 1.00 0.00 C ATOM 81 O TRP A -7 2.360 -7.244 9.095 1.00 0.00 O ATOM 82 CB TRP A -7 3.688 -4.675 10.512 1.00 0.00 C ATOM 83 CG TRP A -7 4.793 -5.267 9.687 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.437 -6.426 9.955 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.207 -4.899 8.331 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.302 -6.734 8.923 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.190 -5.834 7.884 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.855 -3.866 7.431 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.808 -5.739 6.627 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.470 -3.763 6.168 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.444 -4.693 5.765 1.00 0.00 C ATOM 0 H TRP A -7 1.704 -3.953 11.780 1.00 0.00 H new ATOM 0 HA TRP A -7 2.100 -4.778 9.070 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.765 -3.589 10.464 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.843 -4.960 11.553 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.296 -7.022 10.844 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.943 -7.527 8.929 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.103 -3.145 7.717 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.553 -6.461 6.327 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.190 -2.960 5.502 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.911 -4.603 4.795 1.00 0.00 H new ATOM 102 N GLU A -6 1.499 -7.191 11.158 1.00 0.00 N ATOM 103 CA GLU A -6 1.075 -8.601 11.148 1.00 0.00 C ATOM 104 C GLU A -6 -0.008 -8.855 10.088 1.00 0.00 C ATOM 105 O GLU A -6 0.143 -9.749 9.254 1.00 0.00 O ATOM 106 CB GLU A -6 0.572 -9.027 12.541 1.00 0.00 C ATOM 107 CG GLU A -6 1.700 -9.201 13.572 1.00 0.00 C ATOM 108 CD GLU A -6 2.580 -10.451 13.345 1.00 0.00 C ATOM 109 OE1 GLU A -6 2.219 -11.337 12.530 1.00 0.00 O ATOM 110 OE2 GLU A -6 3.641 -10.561 14.006 1.00 0.00 O ATOM 0 H GLU A -6 1.318 -6.710 12.039 1.00 0.00 H new ATOM 0 HA GLU A -6 1.945 -9.205 10.890 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.133 -8.281 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.025 -9.966 12.450 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.335 -8.315 13.552 1.00 0.00 H new ATOM 0 HG3 GLU A -6 1.261 -9.256 14.568 1.00 0.00 H new ATOM 117 N TYR A -5 -1.056 -8.024 10.056 1.00 0.00 N ATOM 118 CA TYR A -5 -2.036 -8.027 8.968 1.00 0.00 C ATOM 119 C TYR A -5 -1.498 -7.748 7.564 1.00 0.00 C ATOM 120 O TYR A -5 -1.871 -8.423 6.604 1.00 0.00 O ATOM 121 CB TYR A -5 -3.268 -7.180 9.309 1.00 0.00 C ATOM 122 CG TYR A -5 -4.282 -7.911 10.161 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.232 -8.739 9.533 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.273 -7.781 11.564 1.00 0.00 C ATOM 125 CE1 TYR A -5 -6.186 -9.426 10.303 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.234 -8.462 12.338 1.00 0.00 C ATOM 127 CZ TYR A -5 -6.201 -9.280 11.708 1.00 0.00 C ATOM 128 OH TYR A -5 -7.149 -9.925 12.440 1.00 0.00 O ATOM 0 H TYR A -5 -1.247 -7.333 10.782 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.344 -9.070 8.901 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.947 -6.279 9.832 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.746 -6.858 8.384 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.228 -8.846 8.458 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.531 -7.161 12.045 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.909 -10.067 9.820 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -5.232 -8.359 13.413 1.00 0.00 H new ATOM 0 HH TYR A -5 -7.022 -9.723 13.390 1.00 0.00 H new ATOM 138 N TRP A -4 -0.578 -6.789 7.447 1.00 0.00 N ATOM 139 CA TRP A -4 0.051 -6.440 6.175 1.00 0.00 C ATOM 140 C TRP A -4 0.937 -7.585 5.663 1.00 0.00 C ATOM 141 O TRP A -4 0.888 -7.922 4.484 1.00 0.00 O ATOM 142 CB TRP A -4 0.851 -5.146 6.350 1.00 0.00 C ATOM 143 CG TRP A -4 1.212 -4.519 5.046 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.324 -4.784 4.326 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.323 -3.788 4.145 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.223 -4.184 3.088 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.997 -3.586 2.905 1.00 0.00 C ATOM 148 CE3 TRP A -4 -0.995 -3.294 4.247 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.403 -2.917 1.827 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.608 -2.629 3.169 1.00 0.00 C ATOM 151 CH2 TRP A -4 -0.913 -2.440 1.961 1.00 0.00 C ATOM 0 H TRP A -4 -0.248 -6.232 8.235 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.721 -6.279 5.423 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.268 -4.439 6.941 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.761 -5.358 6.912 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.162 -5.374 4.667 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.968 -4.184 2.391 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.543 -3.429 5.168 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.948 -2.770 0.906 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.619 -2.261 3.270 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.389 -1.929 1.137 1.00 0.00 H new ATOM 162 N LEU A -3 1.673 -8.273 6.542 1.00 0.00 N ATOM 163 CA LEU A -3 2.463 -9.456 6.201 1.00 0.00 C ATOM 164 C LEU A -3 1.613 -10.590 5.601 1.00 0.00 C ATOM 165 O LEU A -3 2.107 -11.333 4.753 1.00 0.00 O ATOM 166 CB LEU A -3 3.223 -9.898 7.467 1.00 0.00 C ATOM 167 CG LEU A -3 4.196 -11.072 7.270 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.331 -10.681 6.324 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.804 -11.464 8.618 1.00 0.00 C ATOM 0 H LEU A -3 1.736 -8.017 7.527 1.00 0.00 H new ATOM 0 HA LEU A -3 3.173 -9.201 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.781 -9.045 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.496 -10.174 8.230 1.00 0.00 H new ATOM 0 HG LEU A -3 3.641 -11.907 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.008 -11.526 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A -3 4.917 -10.401 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.879 -9.837 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.494 -12.296 8.478 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.342 -10.613 9.036 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.010 -11.762 9.302 1.00 0.00 H new ATOM 181 N ARG A -2 0.324 -10.697 5.965 1.00 0.00 N ATOM 182 CA ARG A -2 -0.599 -11.688 5.378 1.00 0.00 C ATOM 183 C ARG A -2 -0.932 -11.401 3.908 1.00 0.00 C ATOM 184 O ARG A -2 -1.183 -12.346 3.162 1.00 0.00 O ATOM 185 CB ARG A -2 -1.872 -11.861 6.225 1.00 0.00 C ATOM 186 CG ARG A -2 -1.670 -12.243 7.703 1.00 0.00 C ATOM 187 CD ARG A -2 -0.534 -13.247 7.939 1.00 0.00 C ATOM 188 NE ARG A -2 -0.523 -13.764 9.318 1.00 0.00 N ATOM 189 CZ ARG A -2 0.226 -13.346 10.323 1.00 0.00 C ATOM 190 NH1 ARG A -2 0.898 -12.236 10.284 1.00 0.00 N ATOM 191 NH2 ARG A -2 0.319 -14.037 11.420 1.00 0.00 N ATOM 0 H ARG A -2 -0.108 -10.102 6.672 1.00 0.00 H new ATOM 0 HA ARG A -2 -0.065 -12.638 5.391 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -2.435 -10.928 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.491 -12.626 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -1.467 -11.339 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.599 -12.663 8.089 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.637 -14.079 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A -2 0.422 -12.768 7.725 1.00 0.00 H new ATOM 0 HE ARG A -2 -1.165 -14.530 9.520 1.00 0.00 H new ATOM 0 HH11 ARG A -2 0.861 -11.646 9.453 1.00 0.00 H new ATOM 0 HH12 ARG A -2 1.463 -11.954 11.085 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -0.190 -14.916 11.514 1.00 0.00 H new ATOM 0 HH22 ARG A -2 0.902 -13.701 12.187 1.00 0.00 H new ATOM 205 N LEU A -1 -0.855 -10.138 3.467 1.00 0.00 N ATOM 206 CA LEU A -1 -0.905 -9.793 2.040 1.00 0.00 C ATOM 207 C LEU A -1 0.365 -10.283 1.331 1.00 0.00 C ATOM 208 O LEU A -1 0.289 -10.901 0.269 1.00 0.00 O ATOM 209 CB LEU A -1 -1.012 -8.271 1.827 1.00 0.00 C ATOM 210 CG LEU A -1 -2.337 -7.625 2.240 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.158 -6.111 2.223 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.454 -7.970 1.255 1.00 0.00 C ATOM 0 H LEU A -1 -0.757 -9.332 4.084 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.789 -10.277 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.207 -7.789 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.841 -8.059 0.771 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.607 -7.994 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -3.092 -5.631 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.371 -5.830 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.882 -5.788 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.382 -7.496 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.187 -7.609 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.591 -9.051 1.224 1.00 0.00 H new ATOM 224 N MET A 0 1.536 -10.005 1.913 1.00 0.00 N ATOM 225 CA MET A 0 2.832 -10.222 1.262 1.00 0.00 C ATOM 226 C MET A 0 3.223 -11.705 1.213 1.00 0.00 C ATOM 227 O MET A 0 3.905 -12.138 0.286 1.00 0.00 O ATOM 228 CB MET A 0 3.906 -9.405 1.988 1.00 0.00 C ATOM 229 CG MET A 0 3.429 -7.994 2.362 1.00 0.00 C ATOM 230 SD MET A 0 4.629 -6.671 2.157 1.00 0.00 S ATOM 231 CE MET A 0 6.032 -7.330 3.066 1.00 0.00 C ATOM 0 H MET A 0 1.612 -9.621 2.855 1.00 0.00 H new ATOM 0 HA MET A 0 2.748 -9.889 0.228 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.208 -9.933 2.892 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.789 -9.329 1.353 1.00 0.00 H new ATOM 0 HG2 MET A 0 2.552 -7.758 1.759 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.106 -8.006 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.732 -6.525 3.289 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.685 -7.777 3.998 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.532 -8.089 2.464 1.00 0.00 H new ATOM 241 N GLU A 1 2.742 -12.507 2.165 1.00 0.00 N ATOM 242 CA GLU A 1 2.839 -13.971 2.149 1.00 0.00 C ATOM 243 C GLU A 1 2.078 -14.594 0.957 1.00 0.00 C ATOM 244 O GLU A 1 2.467 -15.649 0.451 1.00 0.00 O ATOM 245 CB GLU A 1 2.322 -14.490 3.506 1.00 0.00 C ATOM 246 CG GLU A 1 2.406 -16.009 3.725 1.00 0.00 C ATOM 247 CD GLU A 1 3.840 -16.576 3.831 1.00 0.00 C ATOM 248 OE1 GLU A 1 4.839 -15.836 3.668 1.00 0.00 O ATOM 249 OE2 GLU A 1 3.982 -17.787 4.125 1.00 0.00 O ATOM 0 H GLU A 1 2.262 -12.149 2.990 1.00 0.00 H new ATOM 0 HA GLU A 1 3.878 -14.271 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.885 -13.997 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.282 -14.184 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.864 -16.260 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.894 -16.508 2.902 1.00 0.00 H new ATOM 678 N LEU A 33 9.231 -8.734 -12.290 1.00 0.00 N ATOM 679 CA LEU A 33 8.983 -7.286 -12.271 1.00 0.00 C ATOM 680 C LEU A 33 7.617 -6.925 -12.879 1.00 0.00 C ATOM 681 O LEU A 33 7.207 -7.497 -13.892 1.00 0.00 O ATOM 682 CB LEU A 33 10.131 -6.543 -12.983 1.00 0.00 C ATOM 683 CG LEU A 33 11.538 -6.819 -12.414 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.588 -6.123 -13.279 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.697 -6.326 -10.973 1.00 0.00 C ATOM 0 HA LEU A 33 8.953 -6.964 -11.230 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.122 -6.817 -14.038 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.938 -5.472 -12.930 1.00 0.00 H new ATOM 0 HG LEU A 33 11.675 -7.900 -12.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.581 -6.320 -12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.530 -6.503 -14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.403 -5.049 -13.281 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.705 -6.546 -10.622 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.526 -5.250 -10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.973 -6.831 -10.334 1.00 0.00 H new ATOM 697 N VAL A 34 6.930 -5.954 -12.267 1.00 0.00 N ATOM 698 CA VAL A 34 5.531 -5.570 -12.577 1.00 0.00 C ATOM 699 C VAL A 34 5.330 -4.177 -13.172 1.00 0.00 C ATOM 700 O VAL A 34 4.296 -3.910 -13.783 1.00 0.00 O ATOM 701 CB VAL A 34 4.600 -5.784 -11.365 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.952 -7.058 -10.594 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.613 -4.617 -10.363 1.00 0.00 C ATOM 0 H VAL A 34 7.336 -5.392 -11.519 1.00 0.00 H new ATOM 0 HA VAL A 34 5.254 -6.253 -13.380 1.00 0.00 H new ATOM 0 HB VAL A 34 3.605 -5.861 -11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.273 -7.171 -9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.857 -7.920 -11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.977 -6.991 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.936 -4.838 -9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.623 -4.481 -9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.290 -3.704 -10.863 1.00 0.00 H new ATOM 713 N ARG A 35 6.316 -3.297 -12.959 1.00 0.00 N ATOM 714 CA ARG A 35 6.330 -1.860 -13.287 1.00 0.00 C ATOM 715 C ARG A 35 5.058 -1.114 -12.809 1.00 0.00 C ATOM 716 O ARG A 35 4.131 -0.904 -13.596 1.00 0.00 O ATOM 717 CB ARG A 35 6.661 -1.677 -14.785 1.00 0.00 C ATOM 718 CG ARG A 35 6.703 -0.225 -15.297 1.00 0.00 C ATOM 719 CD ARG A 35 7.641 0.715 -14.523 1.00 0.00 C ATOM 720 NE ARG A 35 7.591 2.073 -15.099 1.00 0.00 N ATOM 721 CZ ARG A 35 8.134 3.171 -14.608 1.00 0.00 C ATOM 722 NH1 ARG A 35 8.874 3.172 -13.538 1.00 0.00 N ATOM 723 NH2 ARG A 35 7.946 4.314 -15.203 1.00 0.00 N ATOM 0 H ARG A 35 7.190 -3.589 -12.521 1.00 0.00 H new ATOM 0 HA ARG A 35 7.125 -1.375 -12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.629 -2.138 -14.981 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.922 -2.226 -15.369 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.007 -0.234 -16.344 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.694 0.185 -15.262 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.351 0.747 -13.473 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.661 0.334 -14.560 1.00 0.00 H new ATOM 0 HE ARG A 35 7.079 2.174 -15.975 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.055 2.299 -13.042 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.273 4.046 -13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.379 4.361 -16.049 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.366 5.162 -14.823 1.00 0.00 H new ATOM 737 N PRO A 36 4.986 -0.709 -11.523 1.00 0.00 N ATOM 738 CA PRO A 36 3.869 0.089 -11.012 1.00 0.00 C ATOM 739 C PRO A 36 3.803 1.492 -11.644 1.00 0.00 C ATOM 740 O PRO A 36 4.798 1.995 -12.176 1.00 0.00 O ATOM 741 CB PRO A 36 4.077 0.161 -9.496 1.00 0.00 C ATOM 742 CG PRO A 36 5.584 0.006 -9.325 1.00 0.00 C ATOM 743 CD PRO A 36 5.978 -0.921 -10.475 1.00 0.00 C ATOM 0 HA PRO A 36 2.915 -0.372 -11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.724 1.109 -9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.533 -0.630 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.096 0.966 -9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.836 -0.426 -8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.981 -0.691 -10.835 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.987 -1.962 -10.151 1.00 0.00 H new ATOM 751 N LYS A 37 2.634 2.144 -11.554 1.00 0.00 N ATOM 752 CA LYS A 37 2.428 3.535 -12.012 1.00 0.00 C ATOM 753 C LYS A 37 3.401 4.524 -11.336 1.00 0.00 C ATOM 754 O LYS A 37 3.710 4.334 -10.156 1.00 0.00 O ATOM 755 CB LYS A 37 0.971 3.986 -11.780 1.00 0.00 C ATOM 756 CG LYS A 37 -0.043 3.221 -12.648 1.00 0.00 C ATOM 757 CD LYS A 37 -1.453 3.836 -12.636 1.00 0.00 C ATOM 758 CE LYS A 37 -2.056 3.977 -11.228 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.481 4.404 -11.291 1.00 0.00 N ATOM 0 H LYS A 37 1.795 1.721 -11.158 1.00 0.00 H new ATOM 0 HA LYS A 37 2.636 3.544 -13.082 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.717 3.848 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.889 5.052 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.322 3.189 -13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.103 2.190 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.415 4.819 -13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.114 3.218 -13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.982 3.026 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.481 4.704 -10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.860 4.491 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.547 5.323 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.032 3.697 -11.818 1.00 0.00 H new ATOM 773 N PRO A 38 3.820 5.621 -12.003 1.00 0.00 N ATOM 774 CA PRO A 38 4.719 6.625 -11.415 1.00 0.00 C ATOM 775 C PRO A 38 4.215 7.238 -10.098 1.00 0.00 C ATOM 776 O PRO A 38 5.009 7.506 -9.196 1.00 0.00 O ATOM 777 CB PRO A 38 4.890 7.701 -12.495 1.00 0.00 C ATOM 778 CG PRO A 38 4.686 6.926 -13.793 1.00 0.00 C ATOM 779 CD PRO A 38 3.602 5.920 -13.413 1.00 0.00 C ATOM 0 HA PRO A 38 5.659 6.151 -11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.159 8.502 -12.385 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.877 8.162 -12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.368 7.576 -14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.602 6.432 -14.118 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.608 6.335 -13.576 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.674 5.018 -14.021 1.00 0.00 H new ATOM 787 N LEU A 39 2.894 7.409 -9.954 1.00 0.00 N ATOM 788 CA LEU A 39 2.265 7.919 -8.729 1.00 0.00 C ATOM 789 C LEU A 39 2.463 6.970 -7.529 1.00 0.00 C ATOM 790 O LEU A 39 2.752 7.427 -6.423 1.00 0.00 O ATOM 791 CB LEU A 39 0.776 8.196 -9.028 1.00 0.00 C ATOM 792 CG LEU A 39 0.009 8.899 -7.890 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.500 10.330 -7.669 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.485 8.966 -8.212 1.00 0.00 C ATOM 0 H LEU A 39 2.225 7.195 -10.693 1.00 0.00 H new ATOM 0 HA LEU A 39 2.749 8.849 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.708 8.810 -9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.282 7.250 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 39 0.186 8.312 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.067 10.788 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.558 10.315 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.359 10.908 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.011 9.465 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.633 9.524 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.877 7.956 -8.332 1.00 0.00 H new ATOM 806 N LEU A 40 2.372 5.651 -7.754 1.00 0.00 N ATOM 807 CA LEU A 40 2.670 4.634 -6.744 1.00 0.00 C ATOM 808 C LEU A 40 4.172 4.543 -6.481 1.00 0.00 C ATOM 809 O LEU A 40 4.589 4.528 -5.330 1.00 0.00 O ATOM 810 CB LEU A 40 2.102 3.270 -7.181 1.00 0.00 C ATOM 811 CG LEU A 40 2.374 2.119 -6.187 1.00 0.00 C ATOM 812 CD1 LEU A 40 1.888 2.425 -4.769 1.00 0.00 C ATOM 813 CD2 LEU A 40 1.632 0.867 -6.644 1.00 0.00 C ATOM 0 H LEU A 40 2.086 5.260 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 40 2.191 4.926 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.025 3.366 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.527 3.006 -8.149 1.00 0.00 H new ATOM 0 HG LEU A 40 3.455 1.982 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.108 1.579 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.397 3.313 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.813 2.602 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.823 0.054 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.562 1.071 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.980 0.580 -7.636 1.00 0.00 H new ATOM 825 N LEU A 41 4.991 4.548 -7.535 1.00 0.00 N ATOM 826 CA LEU A 41 6.451 4.537 -7.417 1.00 0.00 C ATOM 827 C LEU A 41 6.954 5.681 -6.520 1.00 0.00 C ATOM 828 O LEU A 41 7.789 5.443 -5.654 1.00 0.00 O ATOM 829 CB LEU A 41 7.065 4.563 -8.826 1.00 0.00 C ATOM 830 CG LEU A 41 8.596 4.719 -8.857 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.324 3.606 -8.102 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.082 4.692 -10.305 1.00 0.00 C ATOM 0 H LEU A 41 4.658 4.560 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 41 6.774 3.620 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.797 3.641 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.618 5.384 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 41 8.821 5.668 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.400 3.771 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.012 3.610 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.080 2.643 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.166 4.802 -10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.805 3.743 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.623 5.511 -10.858 1.00 0.00 H new ATOM 844 N LYS A 42 6.399 6.893 -6.646 1.00 0.00 N ATOM 845 CA LYS A 42 6.709 8.043 -5.774 1.00 0.00 C ATOM 846 C LYS A 42 6.345 7.818 -4.299 1.00 0.00 C ATOM 847 O LYS A 42 7.076 8.262 -3.412 1.00 0.00 O ATOM 848 CB LYS A 42 5.977 9.273 -6.338 1.00 0.00 C ATOM 849 CG LYS A 42 6.253 10.562 -5.544 1.00 0.00 C ATOM 850 CD LYS A 42 5.611 11.804 -6.180 1.00 0.00 C ATOM 851 CE LYS A 42 4.076 11.753 -6.146 1.00 0.00 C ATOM 852 NZ LYS A 42 3.482 13.001 -6.695 1.00 0.00 N ATOM 0 H LYS A 42 5.711 7.110 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 42 7.789 8.191 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.277 9.422 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.904 9.079 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.877 10.445 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.330 10.713 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.954 12.696 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.946 11.894 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.726 10.897 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.737 11.607 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.445 12.937 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.799 13.814 -6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.787 13.126 -7.681 1.00 0.00 H new ATOM 866 N LEU A 43 5.266 7.090 -4.017 1.00 0.00 N ATOM 867 CA LEU A 43 4.942 6.637 -2.657 1.00 0.00 C ATOM 868 C LEU A 43 6.037 5.698 -2.111 1.00 0.00 C ATOM 869 O LEU A 43 6.437 5.833 -0.954 1.00 0.00 O ATOM 870 CB LEU A 43 3.523 6.031 -2.653 1.00 0.00 C ATOM 871 CG LEU A 43 2.997 5.611 -1.269 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.468 5.626 -1.286 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.424 4.193 -0.872 1.00 0.00 C ATOM 0 H LEU A 43 4.589 6.795 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 43 4.929 7.480 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.833 6.758 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.515 5.159 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 43 3.415 6.318 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.090 5.329 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.117 6.631 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.106 4.929 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.023 3.955 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.041 3.480 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.512 4.135 -0.844 1.00 0.00 H new ATOM 885 N LEU A 44 6.605 4.824 -2.952 1.00 0.00 N ATOM 886 CA LEU A 44 7.798 4.035 -2.606 1.00 0.00 C ATOM 887 C LEU A 44 9.045 4.937 -2.433 1.00 0.00 C ATOM 888 O LEU A 44 9.802 4.768 -1.476 1.00 0.00 O ATOM 889 CB LEU A 44 8.053 2.882 -3.613 1.00 0.00 C ATOM 890 CG LEU A 44 6.832 2.193 -4.254 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.278 1.128 -5.257 1.00 0.00 C ATOM 892 CD2 LEU A 44 5.890 1.528 -3.252 1.00 0.00 C ATOM 0 H LEU A 44 6.252 4.643 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 44 7.600 3.566 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.675 3.274 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.637 2.117 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 44 6.283 2.998 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.401 0.654 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.872 1.594 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.879 0.376 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.058 1.067 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.432 0.764 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.507 2.278 -2.560 1.00 0.00 H new ATOM 904 N LYS A 45 9.248 5.952 -3.291 1.00 0.00 N ATOM 905 CA LYS A 45 10.345 6.938 -3.150 1.00 0.00 C ATOM 906 C LYS A 45 10.286 7.710 -1.828 1.00 0.00 C ATOM 907 O LYS A 45 11.330 8.020 -1.255 1.00 0.00 O ATOM 908 CB LYS A 45 10.383 7.957 -4.310 1.00 0.00 C ATOM 909 CG LYS A 45 10.540 7.422 -5.745 1.00 0.00 C ATOM 910 CD LYS A 45 11.553 6.290 -5.859 1.00 0.00 C ATOM 911 CE LYS A 45 12.166 6.205 -7.263 1.00 0.00 C ATOM 912 NZ LYS A 45 13.199 5.140 -7.327 1.00 0.00 N ATOM 0 H LYS A 45 8.657 6.116 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 45 11.254 6.337 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.463 8.540 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.205 8.647 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.572 7.071 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.844 8.239 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.346 6.438 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.068 5.344 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.383 6.002 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.610 7.164 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.025 5.488 -7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.489 4.880 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.808 4.305 -7.808 1.00 0.00 H new ATOM 926 N SER A 46 9.085 7.956 -1.304 1.00 0.00 N ATOM 927 CA SER A 46 8.856 8.608 -0.001 1.00 0.00 C ATOM 928 C SER A 46 9.369 7.788 1.199 1.00 0.00 C ATOM 929 O SER A 46 9.543 8.336 2.288 1.00 0.00 O ATOM 930 CB SER A 46 7.367 8.921 0.183 1.00 0.00 C ATOM 931 OG SER A 46 6.909 9.791 -0.841 1.00 0.00 O ATOM 0 H SER A 46 8.219 7.704 -1.780 1.00 0.00 H new ATOM 0 HA SER A 46 9.436 9.531 -0.019 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.791 7.996 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.204 9.381 1.158 1.00 0.00 H new ATOM 0 HG SER A 46 6.949 9.329 -1.704 1.00 0.00 H new ATOM 937 N VAL A 47 9.662 6.496 0.993 1.00 0.00 N ATOM 938 CA VAL A 47 10.353 5.593 1.941 1.00 0.00 C ATOM 939 C VAL A 47 11.693 5.065 1.384 1.00 0.00 C ATOM 940 O VAL A 47 12.217 4.054 1.857 1.00 0.00 O ATOM 941 CB VAL A 47 9.418 4.471 2.439 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.215 5.037 3.200 1.00 0.00 C ATOM 943 CG2 VAL A 47 8.894 3.577 1.311 1.00 0.00 C ATOM 0 H VAL A 47 9.415 6.025 0.123 1.00 0.00 H new ATOM 0 HA VAL A 47 10.618 6.186 2.817 1.00 0.00 H new ATOM 0 HB VAL A 47 10.034 3.865 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.579 4.218 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.564 5.603 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.645 5.694 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.243 2.809 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.332 4.181 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.734 3.104 0.802 1.00 0.00 H new ATOM 953 N GLY A 48 12.290 5.764 0.409 1.00 0.00 N ATOM 954 CA GLY A 48 13.662 5.533 -0.066 1.00 0.00 C ATOM 955 C GLY A 48 13.857 4.402 -1.086 1.00 0.00 C ATOM 956 O GLY A 48 14.967 3.875 -1.195 1.00 0.00 O ATOM 0 H GLY A 48 11.821 6.524 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.029 6.459 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.291 5.323 0.799 1.00 0.00 H new ATOM 960 N ALA A 49 12.816 4.009 -1.825 1.00 0.00 N ATOM 961 CA ALA A 49 12.877 2.946 -2.831 1.00 0.00 C ATOM 962 C ALA A 49 13.865 3.276 -3.979 1.00 0.00 C ATOM 963 O ALA A 49 13.722 4.294 -4.662 1.00 0.00 O ATOM 964 CB ALA A 49 11.439 2.728 -3.308 1.00 0.00 C ATOM 0 H ALA A 49 11.890 4.429 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 49 13.275 2.024 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.421 1.942 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.816 2.433 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.054 3.653 -3.738 1.00 0.00 H new ATOM 970 N GLN A 50 14.890 2.439 -4.191 1.00 0.00 N ATOM 971 CA GLN A 50 16.022 2.747 -5.086 1.00 0.00 C ATOM 972 C GLN A 50 15.738 2.514 -6.585 1.00 0.00 C ATOM 973 O GLN A 50 16.022 3.392 -7.405 1.00 0.00 O ATOM 974 CB GLN A 50 17.258 1.971 -4.590 1.00 0.00 C ATOM 975 CG GLN A 50 18.570 2.354 -5.304 1.00 0.00 C ATOM 976 CD GLN A 50 18.852 1.610 -6.614 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.315 0.552 -6.911 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.730 2.128 -7.449 1.00 0.00 N ATOM 0 H GLN A 50 14.961 1.524 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 50 16.208 3.820 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.376 2.142 -3.520 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.082 0.904 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.551 3.424 -5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 50 19.400 2.177 -4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.191 3.009 -7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.949 1.647 -8.322 1.00 0.00 H new ATOM 987 N LYS A 51 15.161 1.361 -6.950 1.00 0.00 N ATOM 988 CA LYS A 51 14.796 0.974 -8.330 1.00 0.00 C ATOM 989 C LYS A 51 13.583 1.755 -8.864 1.00 0.00 C ATOM 990 O LYS A 51 12.895 2.459 -8.119 1.00 0.00 O ATOM 991 CB LYS A 51 14.499 -0.542 -8.404 1.00 0.00 C ATOM 992 CG LYS A 51 15.589 -1.461 -7.826 1.00 0.00 C ATOM 993 CD LYS A 51 15.268 -2.951 -8.043 1.00 0.00 C ATOM 994 CE LYS A 51 14.027 -3.408 -7.261 1.00 0.00 C ATOM 995 NZ LYS A 51 13.673 -4.819 -7.560 1.00 0.00 N ATOM 0 H LYS A 51 14.924 0.640 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 51 15.652 1.220 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.566 -0.738 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.337 -0.812 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.546 -1.225 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.698 -1.266 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.111 -3.134 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.126 -3.552 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.211 -3.298 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.184 -2.762 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.758 -5.048 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.606 -4.949 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.407 -5.449 -7.179 1.00 0.00 H new ATOM 1009 N ASP A 52 13.293 1.586 -10.151 1.00 0.00 N ATOM 1010 CA ASP A 52 12.071 2.036 -10.842 1.00 0.00 C ATOM 1011 C ASP A 52 11.118 0.913 -11.313 1.00 0.00 C ATOM 1012 O ASP A 52 10.082 1.166 -11.938 1.00 0.00 O ATOM 1013 CB ASP A 52 12.383 3.083 -11.926 1.00 0.00 C ATOM 1014 CG ASP A 52 13.522 2.731 -12.904 1.00 0.00 C ATOM 1015 OD1 ASP A 52 13.978 1.563 -12.960 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.958 3.643 -13.647 1.00 0.00 O ATOM 0 H ASP A 52 13.935 1.106 -10.782 1.00 0.00 H new ATOM 0 HA ASP A 52 11.480 2.535 -10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.476 3.258 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.633 4.023 -11.433 1.00 0.00 H new ATOM 1021 N THR A 53 11.453 -0.335 -10.980 1.00 0.00 N ATOM 1022 CA THR A 53 10.709 -1.566 -11.308 1.00 0.00 C ATOM 1023 C THR A 53 10.840 -2.499 -10.096 1.00 0.00 C ATOM 1024 O THR A 53 11.892 -2.586 -9.458 1.00 0.00 O ATOM 1025 CB THR A 53 11.318 -2.295 -12.523 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.732 -2.228 -12.548 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.797 -1.711 -13.833 1.00 0.00 C ATOM 0 H THR A 53 12.298 -0.532 -10.444 1.00 0.00 H new ATOM 0 HA THR A 53 9.676 -1.308 -11.543 1.00 0.00 H new ATOM 0 HB THR A 53 11.015 -3.337 -12.421 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.068 -2.706 -13.335 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.243 -2.244 -14.672 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.713 -1.815 -13.872 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.062 -0.655 -13.892 1.00 0.00 H new ATOM 1035 N TYR A 54 9.753 -3.213 -9.784 1.00 0.00 N ATOM 1036 CA TYR A 54 9.576 -3.993 -8.551 1.00 0.00 C ATOM 1037 C TYR A 54 8.705 -5.246 -8.689 1.00 0.00 C ATOM 1038 O TYR A 54 7.906 -5.321 -9.624 1.00 0.00 O ATOM 1039 CB TYR A 54 8.985 -3.080 -7.464 1.00 0.00 C ATOM 1040 CG TYR A 54 9.919 -2.005 -6.957 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.966 -2.345 -6.080 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.761 -0.674 -7.389 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.870 -1.363 -5.644 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.669 0.309 -6.959 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.721 -0.038 -6.089 1.00 0.00 C ATOM 1046 OH TYR A 54 12.637 0.890 -5.728 1.00 0.00 O ATOM 0 H TYR A 54 8.944 -3.267 -10.403 1.00 0.00 H new ATOM 0 HA TYR A 54 10.568 -4.359 -8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.087 -2.604 -7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.674 -3.697 -6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.074 -3.365 -5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.946 -0.410 -8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.674 -1.624 -4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.560 1.329 -7.295 1.00 0.00 H new ATOM 0 HH TYR A 54 12.706 1.572 -6.429 1.00 0.00 H new ATOM 1056 N THR A 55 8.829 -6.210 -7.774 1.00 0.00 N ATOM 1057 CA THR A 55 7.856 -7.314 -7.606 1.00 0.00 C ATOM 1058 C THR A 55 6.589 -6.904 -6.845 1.00 0.00 C ATOM 1059 O THR A 55 6.619 -5.913 -6.114 1.00 0.00 O ATOM 1060 CB THR A 55 8.457 -8.614 -7.034 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.374 -8.607 -5.622 1.00 0.00 O ATOM 1062 CG2 THR A 55 9.912 -8.888 -7.413 1.00 0.00 C ATOM 0 H THR A 55 9.610 -6.255 -7.120 1.00 0.00 H new ATOM 0 HA THR A 55 7.557 -7.544 -8.629 1.00 0.00 H new ATOM 0 HB THR A 55 7.860 -9.407 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.756 -9.437 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.236 -9.825 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.998 -8.961 -8.497 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.541 -8.074 -7.053 1.00 0.00 H new ATOM 1070 N MET A 56 5.485 -7.664 -6.926 1.00 0.00 N ATOM 1071 CA MET A 56 4.295 -7.400 -6.095 1.00 0.00 C ATOM 1072 C MET A 56 4.620 -7.341 -4.592 1.00 0.00 C ATOM 1073 O MET A 56 4.140 -6.445 -3.896 1.00 0.00 O ATOM 1074 CB MET A 56 3.204 -8.459 -6.331 1.00 0.00 C ATOM 1075 CG MET A 56 2.547 -8.398 -7.714 1.00 0.00 C ATOM 1076 SD MET A 56 1.872 -6.802 -8.238 1.00 0.00 S ATOM 1077 CE MET A 56 0.444 -6.867 -7.158 1.00 0.00 C ATOM 0 H MET A 56 5.390 -8.462 -7.554 1.00 0.00 H new ATOM 0 HA MET A 56 3.930 -6.420 -6.402 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.640 -9.448 -6.193 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.432 -8.342 -5.571 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.284 -8.712 -8.453 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.740 -9.130 -7.738 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.451 -6.601 -7.721 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.335 -7.875 -6.759 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.577 -6.164 -6.336 1.00 0.00 H new ATOM 1087 N LYS A 57 5.469 -8.254 -4.095 1.00 0.00 N ATOM 1088 CA LYS A 57 5.909 -8.272 -2.691 1.00 0.00 C ATOM 1089 C LYS A 57 6.805 -7.080 -2.344 1.00 0.00 C ATOM 1090 O LYS A 57 6.668 -6.524 -1.260 1.00 0.00 O ATOM 1091 CB LYS A 57 6.571 -9.622 -2.363 1.00 0.00 C ATOM 1092 CG LYS A 57 7.093 -9.669 -0.915 1.00 0.00 C ATOM 1093 CD LYS A 57 7.373 -11.102 -0.451 1.00 0.00 C ATOM 1094 CE LYS A 57 7.900 -11.106 0.989 1.00 0.00 C ATOM 1095 NZ LYS A 57 8.164 -12.488 1.468 1.00 0.00 N ATOM 0 H LYS A 57 5.871 -9.004 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 57 5.028 -8.166 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.851 -10.426 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.397 -9.798 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.006 -9.079 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.361 -9.210 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.461 -11.695 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.102 -11.569 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.817 -10.519 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.174 -10.625 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.519 -12.455 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.283 -13.040 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.875 -12.938 0.856 1.00 0.00 H new ATOM 1109 N GLU A 58 7.677 -6.644 -3.253 1.00 0.00 N ATOM 1110 CA GLU A 58 8.491 -5.435 -3.058 1.00 0.00 C ATOM 1111 C GLU A 58 7.650 -4.146 -2.998 1.00 0.00 C ATOM 1112 O GLU A 58 7.868 -3.313 -2.116 1.00 0.00 O ATOM 1113 CB GLU A 58 9.544 -5.322 -4.165 1.00 0.00 C ATOM 1114 CG GLU A 58 10.679 -6.348 -4.031 1.00 0.00 C ATOM 1115 CD GLU A 58 11.704 -6.247 -5.177 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.370 -5.749 -6.280 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.874 -6.650 -4.983 1.00 0.00 O ATOM 0 H GLU A 58 7.842 -7.114 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 58 8.980 -5.540 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.059 -5.451 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.968 -4.318 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.188 -6.200 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.256 -7.353 -4.013 1.00 0.00 H new ATOM 1124 N VAL A 59 6.654 -3.996 -3.884 1.00 0.00 N ATOM 1125 CA VAL A 59 5.710 -2.862 -3.850 1.00 0.00 C ATOM 1126 C VAL A 59 4.891 -2.882 -2.556 1.00 0.00 C ATOM 1127 O VAL A 59 4.835 -1.867 -1.860 1.00 0.00 O ATOM 1128 CB VAL A 59 4.782 -2.842 -5.084 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.814 -1.658 -5.055 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.568 -2.708 -6.394 1.00 0.00 C ATOM 0 H VAL A 59 6.478 -4.654 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 59 6.301 -1.947 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 59 4.245 -3.790 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.181 -1.684 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.191 -1.719 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.379 -0.726 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.875 -2.698 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.138 -1.779 -6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.251 -3.551 -6.497 1.00 0.00 H new ATOM 1140 N LEU A 60 4.305 -4.031 -2.189 1.00 0.00 N ATOM 1141 CA LEU A 60 3.592 -4.201 -0.917 1.00 0.00 C ATOM 1142 C LEU A 60 4.498 -3.892 0.289 1.00 0.00 C ATOM 1143 O LEU A 60 4.049 -3.203 1.201 1.00 0.00 O ATOM 1144 CB LEU A 60 3.017 -5.625 -0.806 1.00 0.00 C ATOM 1145 CG LEU A 60 1.779 -5.914 -1.674 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.508 -7.421 -1.690 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.528 -5.223 -1.124 1.00 0.00 C ATOM 0 H LEU A 60 4.313 -4.870 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 60 2.769 -3.486 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.800 -6.335 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.759 -5.813 0.236 1.00 0.00 H new ATOM 0 HG LEU A 60 1.987 -5.535 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.631 -7.627 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.372 -7.942 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.328 -7.769 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.325 -5.451 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.329 -5.581 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.688 -4.145 -1.103 1.00 0.00 H new ATOM 1159 N PHE A 61 5.761 -4.337 0.302 1.00 0.00 N ATOM 1160 CA PHE A 61 6.719 -4.035 1.371 1.00 0.00 C ATOM 1161 C PHE A 61 6.887 -2.550 1.674 1.00 0.00 C ATOM 1162 O PHE A 61 6.600 -2.075 2.774 1.00 0.00 O ATOM 1163 CB PHE A 61 8.054 -4.778 1.163 1.00 0.00 C ATOM 1164 CG PHE A 61 9.215 -4.248 1.988 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.420 -4.713 3.301 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.078 -3.269 1.456 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.463 -4.189 4.085 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.122 -2.745 2.240 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.313 -3.201 3.555 1.00 0.00 C ATOM 0 H PHE A 61 6.149 -4.923 -0.437 1.00 0.00 H new ATOM 0 HA PHE A 61 6.275 -4.428 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.908 -5.831 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.322 -4.725 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.773 -5.476 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.937 -2.920 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.612 -4.545 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.778 -1.991 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.111 -2.794 4.158 1.00 0.00 H new ATOM 1179 N TYR A 62 7.273 -1.814 0.638 1.00 0.00 N ATOM 1180 CA TYR A 62 7.386 -0.357 0.677 1.00 0.00 C ATOM 1181 C TYR A 62 6.097 0.405 1.008 1.00 0.00 C ATOM 1182 O TYR A 62 6.113 1.346 1.800 1.00 0.00 O ATOM 1183 CB TYR A 62 8.046 0.170 -0.599 1.00 0.00 C ATOM 1184 CG TYR A 62 9.538 -0.055 -0.736 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.441 0.469 0.210 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.026 -0.753 -1.856 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.829 0.314 0.027 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.409 -0.923 -2.034 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.318 -0.385 -1.099 1.00 0.00 C ATOM 1190 OH TYR A 62 13.657 -0.535 -1.293 1.00 0.00 O ATOM 0 H TYR A 62 7.520 -2.216 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 62 8.031 -0.151 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.552 -0.293 -1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.856 1.241 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.068 0.991 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.336 -1.159 -2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.519 0.729 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.778 -1.468 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 62 13.813 -1.043 -2.116 1.00 0.00 H new ATOM 1200 N LEU A 63 4.962 -0.033 0.454 1.00 0.00 N ATOM 1201 CA LEU A 63 3.638 0.520 0.738 1.00 0.00 C ATOM 1202 C LEU A 63 3.236 0.317 2.211 1.00 0.00 C ATOM 1203 O LEU A 63 2.795 1.262 2.862 1.00 0.00 O ATOM 1204 CB LEU A 63 2.652 -0.123 -0.250 1.00 0.00 C ATOM 1205 CG LEU A 63 1.173 0.228 -0.040 1.00 0.00 C ATOM 1206 CD1 LEU A 63 0.908 1.725 -0.168 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.349 -0.475 -1.112 1.00 0.00 C ATOM 0 H LEU A 63 4.940 -0.799 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 63 3.635 1.601 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.936 0.171 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.761 -1.206 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 63 0.901 -0.089 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.153 1.921 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.491 2.263 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.196 2.062 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.706 -0.235 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.673 -0.141 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.489 -1.553 -1.030 1.00 0.00 H new ATOM 1219 N GLY A 64 3.467 -0.872 2.769 1.00 0.00 N ATOM 1220 CA GLY A 64 3.249 -1.161 4.188 1.00 0.00 C ATOM 1221 C GLY A 64 4.158 -0.340 5.103 1.00 0.00 C ATOM 1222 O GLY A 64 3.690 0.234 6.084 1.00 0.00 O ATOM 0 H GLY A 64 3.815 -1.672 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.208 -0.959 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.420 -2.222 4.369 1.00 0.00 H new ATOM 1226 N GLN A 65 5.440 -0.201 4.754 1.00 0.00 N ATOM 1227 CA GLN A 65 6.372 0.687 5.459 1.00 0.00 C ATOM 1228 C GLN A 65 5.968 2.173 5.364 1.00 0.00 C ATOM 1229 O GLN A 65 6.184 2.925 6.317 1.00 0.00 O ATOM 1230 CB GLN A 65 7.803 0.451 4.946 1.00 0.00 C ATOM 1231 CG GLN A 65 8.364 -0.929 5.343 1.00 0.00 C ATOM 1232 CD GLN A 65 8.581 -1.087 6.848 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.193 -0.258 7.510 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.119 -2.164 7.449 1.00 0.00 N ATOM 0 H GLN A 65 5.863 -0.702 3.973 1.00 0.00 H new ATOM 0 HA GLN A 65 6.332 0.439 6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.814 0.543 3.860 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.457 1.230 5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.679 -1.704 4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.311 -1.090 4.828 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.607 -2.866 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.273 -2.296 8.449 1.00 0.00 H new ATOM 1243 N TYR A 66 5.319 2.598 4.273 1.00 0.00 N ATOM 1244 CA TYR A 66 4.745 3.939 4.144 1.00 0.00 C ATOM 1245 C TYR A 66 3.531 4.157 5.059 1.00 0.00 C ATOM 1246 O TYR A 66 3.503 5.106 5.840 1.00 0.00 O ATOM 1247 CB TYR A 66 4.486 4.282 2.667 1.00 0.00 C ATOM 1248 CG TYR A 66 3.797 5.613 2.417 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.401 5.746 2.563 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.566 6.724 2.015 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.783 6.989 2.323 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.949 7.962 1.754 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.553 8.096 1.904 1.00 0.00 C ATOM 1254 OH TYR A 66 1.945 9.288 1.657 1.00 0.00 O ATOM 0 H TYR A 66 5.177 2.014 3.449 1.00 0.00 H new ATOM 0 HA TYR A 66 5.483 4.656 4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.440 4.281 2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.879 3.490 2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.805 4.895 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.636 6.625 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.717 7.096 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.543 8.807 1.440 1.00 0.00 H new ATOM 0 HH TYR A 66 2.616 9.946 1.379 1.00 0.00 H new ATOM 1264 N ILE A 67 2.577 3.215 5.045 1.00 0.00 N ATOM 1265 CA ILE A 67 1.407 3.186 5.945 1.00 0.00 C ATOM 1266 C ILE A 67 1.848 3.214 7.416 1.00 0.00 C ATOM 1267 O ILE A 67 1.277 3.955 8.220 1.00 0.00 O ATOM 1268 CB ILE A 67 0.539 1.937 5.652 1.00 0.00 C ATOM 1269 CG1 ILE A 67 -0.092 2.015 4.247 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.571 1.752 6.704 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.500 0.650 3.674 1.00 0.00 C ATOM 0 H ILE A 67 2.595 2.431 4.393 1.00 0.00 H new ATOM 0 HA ILE A 67 0.806 4.076 5.761 1.00 0.00 H new ATOM 0 HB ILE A 67 1.205 1.075 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.971 2.658 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.617 2.487 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.157 0.865 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.122 1.632 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.221 2.627 6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.936 0.786 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.379 0.010 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.233 0.184 4.332 1.00 0.00 H new ATOM 1283 N MET A 68 2.893 2.448 7.751 1.00 0.00 N ATOM 1284 CA MET A 68 3.507 2.386 9.078 1.00 0.00 C ATOM 1285 C MET A 68 4.121 3.728 9.498 1.00 0.00 C ATOM 1286 O MET A 68 3.743 4.271 10.534 1.00 0.00 O ATOM 1287 CB MET A 68 4.555 1.261 9.098 1.00 0.00 C ATOM 1288 CG MET A 68 5.252 1.099 10.456 1.00 0.00 C ATOM 1289 SD MET A 68 6.661 -0.046 10.458 1.00 0.00 S ATOM 1290 CE MET A 68 5.821 -1.603 10.068 1.00 0.00 C ATOM 0 H MET A 68 3.350 1.832 7.078 1.00 0.00 H new ATOM 0 HA MET A 68 2.727 2.168 9.808 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.072 0.321 8.832 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.306 1.461 8.334 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.597 2.077 10.790 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.520 0.753 11.185 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.535 -2.425 10.119 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.019 -1.774 10.787 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.402 -1.549 9.063 1.00 0.00 H new ATOM 1300 N THR A 69 5.040 4.293 8.704 1.00 0.00 N ATOM 1301 CA THR A 69 5.713 5.563 9.037 1.00 0.00 C ATOM 1302 C THR A 69 4.795 6.792 9.098 1.00 0.00 C ATOM 1303 O THR A 69 4.954 7.661 9.957 1.00 0.00 O ATOM 1304 CB THR A 69 6.979 5.775 8.184 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.882 6.633 8.850 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.701 6.405 6.820 1.00 0.00 C ATOM 0 H THR A 69 5.339 3.888 7.817 1.00 0.00 H new ATOM 0 HA THR A 69 6.039 5.455 10.072 1.00 0.00 H new ATOM 0 HB THR A 69 7.391 4.777 8.034 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.682 6.758 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.638 6.524 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.031 5.760 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.236 7.381 6.958 1.00 0.00 H new ATOM 1314 N LYS A 70 3.765 6.818 8.240 1.00 0.00 N ATOM 1315 CA LYS A 70 2.673 7.810 8.236 1.00 0.00 C ATOM 1316 C LYS A 70 1.592 7.553 9.305 1.00 0.00 C ATOM 1317 O LYS A 70 0.734 8.411 9.519 1.00 0.00 O ATOM 1318 CB LYS A 70 2.056 7.839 6.827 1.00 0.00 C ATOM 1319 CG LYS A 70 2.998 8.368 5.727 1.00 0.00 C ATOM 1320 CD LYS A 70 2.865 9.873 5.454 1.00 0.00 C ATOM 1321 CE LYS A 70 1.501 10.192 4.827 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.410 11.598 4.362 1.00 0.00 N ATOM 0 H LYS A 70 3.663 6.123 7.500 1.00 0.00 H new ATOM 0 HA LYS A 70 3.100 8.779 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.739 6.830 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.160 8.459 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.028 8.151 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.801 7.824 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.982 10.428 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.663 10.198 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.324 9.521 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.714 10.002 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.450 11.785 4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.619 12.240 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.097 11.756 3.598 1.00 0.00 H new ATOM 1336 N ARG A 71 1.621 6.383 9.964 1.00 0.00 N ATOM 1337 CA ARG A 71 0.661 5.893 10.978 1.00 0.00 C ATOM 1338 C ARG A 71 -0.805 5.957 10.518 1.00 0.00 C ATOM 1339 O ARG A 71 -1.683 6.417 11.249 1.00 0.00 O ATOM 1340 CB ARG A 71 0.907 6.553 12.352 1.00 0.00 C ATOM 1341 CG ARG A 71 2.365 6.433 12.830 1.00 0.00 C ATOM 1342 CD ARG A 71 2.501 6.683 14.337 1.00 0.00 C ATOM 1343 NE ARG A 71 2.015 5.520 15.104 1.00 0.00 N ATOM 1344 CZ ARG A 71 1.649 5.468 16.368 1.00 0.00 C ATOM 1345 NH1 ARG A 71 1.662 6.511 17.149 1.00 0.00 N ATOM 1346 NH2 ARG A 71 1.261 4.330 16.866 1.00 0.00 N ATOM 0 H ARG A 71 2.364 5.706 9.794 1.00 0.00 H new ATOM 0 HA ARG A 71 0.854 4.828 11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.636 7.607 12.295 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.250 6.094 13.091 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.743 5.439 12.592 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.984 7.147 12.287 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.544 6.879 14.586 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.935 7.571 14.616 1.00 0.00 H new ATOM 0 HE ARG A 71 1.955 4.642 14.588 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.965 7.415 16.787 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.370 6.423 18.122 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.244 3.496 16.279 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.974 4.272 17.843 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.069 5.516 9.283 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.401 5.575 8.650 1.00 0.00 C ATOM 1362 C LEU A 72 -3.374 4.485 9.141 1.00 0.00 C ATOM 1363 O LEU A 72 -4.557 4.520 8.803 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.267 5.556 7.113 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.366 6.651 6.527 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.227 6.484 5.015 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.910 8.045 6.813 1.00 0.00 C ATOM 0 H LEU A 72 -0.356 5.101 8.683 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.847 6.520 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.877 4.585 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.261 5.651 6.675 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.393 6.546 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.584 7.271 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.787 5.511 4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.210 6.551 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.243 8.791 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.902 8.146 6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.975 8.196 7.891 1.00 0.00 H new ATOM 1379 N TYR A 73 -2.909 3.523 9.940 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.779 2.559 10.620 1.00 0.00 C ATOM 1381 C TYR A 73 -4.755 3.160 11.653 1.00 0.00 C ATOM 1382 O TYR A 73 -4.420 4.130 12.337 1.00 0.00 O ATOM 1383 CB TYR A 73 -2.985 1.370 11.177 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.750 1.743 11.981 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -1.903 2.174 13.313 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.461 1.650 11.416 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.774 2.508 14.086 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.671 1.973 12.191 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.516 2.399 13.530 1.00 0.00 C ATOM 1390 OH TYR A 73 1.605 2.703 14.289 1.00 0.00 O ATOM 0 H TYR A 73 -1.917 3.389 10.135 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.438 2.184 9.837 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.645 0.775 11.808 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.681 0.734 10.346 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.891 2.249 13.744 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.342 1.332 10.391 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.897 2.847 15.104 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.659 1.895 11.761 1.00 0.00 H new ATOM 0 HH TYR A 73 2.419 2.575 13.759 1.00 0.00 H new ATOM 1400 N ASP A 74 -5.950 2.585 11.802 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.899 2.955 12.861 1.00 0.00 C ATOM 1402 C ASP A 74 -6.418 2.626 14.290 1.00 0.00 C ATOM 1403 O ASP A 74 -5.933 1.523 14.547 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.305 2.437 12.530 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.310 2.463 13.685 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.314 3.433 14.475 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.112 1.512 13.789 1.00 0.00 O ATOM 0 H ASP A 74 -6.291 1.845 11.189 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.955 4.043 12.875 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.707 3.031 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.219 1.412 12.170 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.556 3.559 15.236 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.194 3.338 16.644 1.00 0.00 C ATOM 1414 C GLU A 75 -7.085 2.298 17.354 1.00 0.00 C ATOM 1415 O GLU A 75 -6.620 1.635 18.287 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.188 4.674 17.408 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.543 5.398 17.489 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.549 6.484 18.583 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.606 7.308 18.650 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.514 6.516 19.387 1.00 0.00 O ATOM 0 H GLU A 75 -6.923 4.492 15.049 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.189 2.916 16.645 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.833 4.491 18.422 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.468 5.340 16.933 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.770 5.853 16.525 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.331 4.673 17.693 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.344 2.126 16.921 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.260 1.097 17.455 1.00 0.00 C ATOM 1429 C LYS A 76 -8.948 -0.277 16.850 1.00 0.00 C ATOM 1430 O LYS A 76 -8.844 -1.258 17.589 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.740 1.456 17.212 1.00 0.00 C ATOM 1432 CG LYS A 76 -11.156 2.908 17.491 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.872 3.390 18.920 1.00 0.00 C ATOM 1434 CE LYS A 76 -11.494 4.780 19.108 1.00 0.00 C ATOM 1435 NZ LYS A 76 -10.937 5.485 20.290 1.00 0.00 N ATOM 0 H LYS A 76 -8.760 2.698 16.187 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.099 1.058 18.532 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.979 1.228 16.173 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.354 0.802 17.831 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.636 3.562 16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.223 3.011 17.292 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.288 2.690 19.644 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.797 3.431 19.098 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.320 5.379 18.214 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.574 4.682 19.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.508 6.331 20.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.957 4.851 21.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.956 5.768 20.095 1.00 0.00 H new ATOM 1449 N GLN A 77 -8.773 -0.345 15.527 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.428 -1.564 14.786 1.00 0.00 C ATOM 1451 C GLN A 77 -7.268 -1.349 13.806 1.00 0.00 C ATOM 1452 O GLN A 77 -7.464 -0.862 12.693 1.00 0.00 O ATOM 1453 CB GLN A 77 -9.669 -2.095 14.043 1.00 0.00 C ATOM 1454 CG GLN A 77 -10.693 -2.785 14.955 1.00 0.00 C ATOM 1455 CD GLN A 77 -10.176 -4.069 15.611 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -9.160 -4.644 15.234 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -10.863 -4.586 16.606 1.00 0.00 N ATOM 0 H GLN A 77 -8.870 0.471 14.923 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.093 -2.303 15.514 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.155 -1.266 13.530 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.347 -2.800 13.276 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.998 -2.088 15.735 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.584 -3.020 14.372 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.711 -4.124 16.935 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.548 -5.449 17.049 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.059 -1.795 14.167 1.00 0.00 N ATOM 1467 CA GLN A 78 -4.879 -1.638 13.305 1.00 0.00 C ATOM 1468 C GLN A 78 -4.945 -2.458 12.001 1.00 0.00 C ATOM 1469 O GLN A 78 -4.185 -2.196 11.070 1.00 0.00 O ATOM 1470 CB GLN A 78 -3.588 -1.939 14.080 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.292 -0.917 15.191 1.00 0.00 C ATOM 1472 CD GLN A 78 -1.828 -0.904 15.642 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -0.948 -1.552 15.088 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -1.505 -0.168 16.683 1.00 0.00 N ATOM 0 H GLN A 78 -5.871 -2.268 15.051 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.873 -0.592 12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.661 -2.933 14.521 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.750 -1.960 13.383 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.563 0.078 14.839 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.926 -1.134 16.051 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.220 0.380 17.161 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.540 -0.146 17.012 1.00 0.00 H new ATOM 1483 N HIS A 79 -5.874 -3.417 11.900 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.169 -4.136 10.656 1.00 0.00 C ATOM 1485 C HIS A 79 -6.964 -3.297 9.628 1.00 0.00 C ATOM 1486 O HIS A 79 -7.255 -3.791 8.540 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.840 -5.482 10.979 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.333 -5.469 11.211 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.990 -5.359 12.417 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.291 -5.700 10.259 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.307 -5.505 12.195 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.540 -5.737 10.892 1.00 0.00 N ATOM 0 H HIS A 79 -6.447 -3.718 12.688 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.220 -4.336 10.158 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.631 -6.169 10.159 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.363 -5.893 11.869 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.552 -5.195 13.323 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.114 -5.831 9.202 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.071 -5.444 12.956 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.307 -2.041 9.940 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.000 -1.084 9.059 1.00 0.00 C ATOM 1502 C ILE A 80 -7.117 0.160 8.849 1.00 0.00 C ATOM 1503 O ILE A 80 -6.466 0.628 9.783 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.402 -0.736 9.626 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.196 -2.010 10.015 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.202 0.114 8.620 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.587 -1.747 10.602 1.00 0.00 C ATOM 0 H ILE A 80 -7.101 -1.643 10.856 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.166 -1.537 8.081 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.251 -0.152 10.534 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.303 -2.638 9.131 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.613 -2.577 10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.181 0.346 9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.665 1.041 8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.327 -0.443 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.066 -2.696 10.843 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.492 -1.148 11.508 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.194 -1.210 9.873 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.089 0.702 7.627 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.270 1.857 7.206 1.00 0.00 C ATOM 1521 C VAL A 81 -7.168 3.000 6.722 1.00 0.00 C ATOM 1522 O VAL A 81 -8.147 2.763 6.016 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.266 1.442 6.107 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.421 2.609 5.576 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.291 0.380 6.629 1.00 0.00 C ATOM 0 H VAL A 81 -7.660 0.335 6.866 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.701 2.210 8.066 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.883 1.056 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.739 2.244 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.076 3.368 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.847 3.044 6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.595 0.105 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.736 0.781 7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.848 -0.502 6.945 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.811 4.237 7.079 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.490 5.489 6.722 1.00 0.00 C ATOM 1537 C TYR A 82 -6.588 6.521 6.031 1.00 0.00 C ATOM 1538 O TYR A 82 -5.528 6.862 6.558 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.191 6.106 7.943 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.428 5.373 8.427 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.288 4.210 9.208 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.713 5.871 8.135 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.428 3.535 9.684 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.858 5.195 8.605 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.717 4.021 9.379 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.815 3.361 9.842 1.00 0.00 O ATOM 0 H TYR A 82 -5.990 4.403 7.661 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.239 5.210 5.981 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.475 6.156 8.764 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.470 7.131 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.303 3.835 9.443 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.822 6.772 7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.316 2.644 10.284 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.842 5.574 8.373 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.625 3.825 9.545 1.00 0.00 H new ATOM 1556 N CYS A 83 -7.002 7.051 4.879 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.278 8.089 4.148 1.00 0.00 C ATOM 1558 C CYS A 83 -7.231 8.801 3.171 1.00 0.00 C ATOM 1559 O CYS A 83 -7.638 8.238 2.153 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.099 7.443 3.404 1.00 0.00 C ATOM 1561 SG CYS A 83 -4.054 8.744 2.691 1.00 0.00 S ATOM 0 H CYS A 83 -7.867 6.764 4.420 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.890 8.836 4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.516 6.827 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.467 6.785 2.617 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.813 8.530 3.015 1.00 0.00 H new ATOM 1567 N SER A 84 -7.572 10.052 3.479 1.00 0.00 N ATOM 1568 CA SER A 84 -8.352 10.962 2.623 1.00 0.00 C ATOM 1569 C SER A 84 -7.554 12.219 2.244 1.00 0.00 C ATOM 1570 O SER A 84 -6.709 12.689 3.010 1.00 0.00 O ATOM 1571 CB SER A 84 -9.691 11.308 3.288 1.00 0.00 C ATOM 1572 OG SER A 84 -9.502 11.913 4.559 1.00 0.00 O ATOM 0 H SER A 84 -7.305 10.481 4.365 1.00 0.00 H new ATOM 0 HA SER A 84 -8.567 10.444 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.255 11.983 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.287 10.402 3.400 1.00 0.00 H new ATOM 0 HG SER A 84 -10.374 12.122 4.955 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.803 12.742 1.034 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.151 13.915 0.421 1.00 0.00 C ATOM 1580 C ASN A 85 -5.599 13.931 0.480 1.00 0.00 C ATOM 1581 O ASN A 85 -4.982 14.994 0.590 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.836 15.229 0.863 1.00 0.00 C ATOM 1583 CG ASN A 85 -7.735 15.543 2.349 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -8.701 15.461 3.096 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -6.586 15.984 2.809 1.00 0.00 N ATOM 0 H ASN A 85 -8.507 12.335 0.418 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.317 13.821 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.398 16.055 0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.890 15.181 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.500 16.258 3.788 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.780 16.053 2.187 1.00 0.00 H new ATOM 1592 N ASP A 86 -4.964 12.756 0.427 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.505 12.569 0.447 1.00 0.00 C ATOM 1594 C ASP A 86 -3.120 11.376 -0.464 1.00 0.00 C ATOM 1595 O ASP A 86 -3.981 10.607 -0.903 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.058 12.399 1.913 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.536 12.428 2.139 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.778 12.876 1.248 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.091 12.030 3.241 1.00 0.00 O ATOM 0 H ASP A 86 -5.470 11.872 0.367 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.982 13.437 0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.513 13.190 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.447 11.452 2.288 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.825 11.220 -0.761 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.274 10.326 -1.789 1.00 0.00 C ATOM 1606 C LEU A 87 -1.800 8.879 -1.750 1.00 0.00 C ATOM 1607 O LEU A 87 -2.289 8.387 -2.764 1.00 0.00 O ATOM 1608 CB LEU A 87 0.264 10.401 -1.712 1.00 0.00 C ATOM 1609 CG LEU A 87 1.020 9.584 -2.780 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.702 10.038 -4.203 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.527 9.740 -2.572 1.00 0.00 C ATOM 0 H LEU A 87 -1.097 11.738 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.626 10.679 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.565 11.445 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.579 10.058 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 87 0.700 8.548 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.261 9.429 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.366 9.925 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.983 11.084 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.060 9.162 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.800 10.792 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.797 9.377 -1.580 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.755 8.197 -0.601 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.202 6.798 -0.491 1.00 0.00 C ATOM 1625 C LEU A 88 -3.708 6.619 -0.773 1.00 0.00 C ATOM 1626 O LEU A 88 -4.108 5.643 -1.412 1.00 0.00 O ATOM 1627 CB LEU A 88 -1.775 6.257 0.880 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.122 4.769 1.079 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -0.945 4.045 1.710 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -3.318 4.568 2.010 1.00 0.00 C ATOM 0 H LEU A 88 -1.411 8.592 0.274 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.719 6.208 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.700 6.392 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.258 6.844 1.662 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.362 4.375 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.196 2.993 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.075 4.128 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.718 4.494 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.521 3.502 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.094 4.994 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.193 5.064 1.590 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.534 7.586 -0.368 1.00 0.00 N ATOM 1643 CA GLY A 89 -5.955 7.648 -0.718 1.00 0.00 C ATOM 1644 C GLY A 89 -6.188 7.919 -2.210 1.00 0.00 C ATOM 1645 O GLY A 89 -7.109 7.352 -2.802 1.00 0.00 O ATOM 0 H GLY A 89 -4.230 8.360 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.433 6.707 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.435 8.431 -0.132 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.323 8.716 -2.844 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.332 8.942 -4.294 1.00 0.00 C ATOM 1651 C ASP A 90 -4.962 7.714 -5.141 1.00 0.00 C ATOM 1652 O ASP A 90 -5.537 7.510 -6.213 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.516 10.191 -4.677 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.179 11.540 -4.332 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.388 11.596 -4.001 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.483 12.578 -4.440 1.00 0.00 O ATOM 0 H ASP A 90 -4.587 9.229 -2.359 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.375 9.133 -4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.549 10.141 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.322 10.164 -5.749 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.056 6.859 -4.644 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.777 5.546 -5.224 1.00 0.00 C ATOM 1663 C LEU A 91 -4.969 4.590 -5.057 1.00 0.00 C ATOM 1664 O LEU A 91 -5.490 4.084 -6.053 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.511 4.939 -4.583 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.155 5.320 -5.200 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -1.134 5.218 -6.726 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.659 6.697 -4.785 1.00 0.00 C ATOM 0 H LEU A 91 -3.493 7.066 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.608 5.682 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.495 5.225 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.604 3.853 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.472 4.575 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.148 5.501 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.354 4.193 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.885 5.888 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.302 6.896 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.380 7.453 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.543 6.731 -3.702 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.411 4.340 -3.820 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.501 3.397 -3.543 1.00 0.00 C ATOM 1682 C PHE A 92 -7.915 3.763 -4.025 1.00 0.00 C ATOM 1683 O PHE A 92 -8.747 2.880 -4.235 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.450 2.875 -2.098 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.407 1.800 -1.854 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.570 0.525 -2.428 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.286 2.058 -1.042 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.624 -0.489 -2.195 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.349 1.040 -0.791 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.523 -0.234 -1.363 1.00 0.00 C ATOM 0 H PHE A 92 -5.026 4.783 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.281 2.567 -4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.253 3.713 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.430 2.479 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.428 0.324 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.146 3.039 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.744 -1.459 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.495 1.236 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.807 -1.017 -1.161 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.193 5.055 -4.227 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.495 5.554 -4.691 1.00 0.00 C ATOM 1702 C GLY A 93 -10.616 5.477 -3.641 1.00 0.00 C ATOM 1703 O GLY A 93 -11.795 5.558 -3.995 1.00 0.00 O ATOM 0 H GLY A 93 -7.510 5.796 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.381 6.591 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.797 4.984 -5.569 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.262 5.310 -2.361 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.181 5.185 -1.214 1.00 0.00 C ATOM 1709 C VAL A 94 -10.602 5.948 -0.009 1.00 0.00 C ATOM 1710 O VAL A 94 -9.378 6.049 0.121 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.397 3.709 -0.796 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.337 2.986 -1.761 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.110 2.884 -0.666 1.00 0.00 C ATOM 0 H VAL A 94 -9.283 5.255 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.141 5.601 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.839 3.779 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.466 1.953 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.305 3.487 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.911 3.002 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.359 1.865 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.591 2.867 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.464 3.333 0.089 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.457 6.456 0.902 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.028 7.112 2.142 1.00 0.00 C ATOM 1725 C PRO A 95 -10.439 6.133 3.175 1.00 0.00 C ATOM 1726 O PRO A 95 -9.701 6.550 4.071 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.294 7.783 2.685 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.416 6.868 2.192 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.914 6.435 0.820 1.00 0.00 C ATOM 0 HA PRO A 95 -10.222 7.818 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.279 7.850 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.406 8.798 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.566 6.017 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.369 7.394 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.277 5.438 0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.271 7.110 0.042 1.00 0.00 H new ATOM 1737 N SER A 96 -10.766 4.841 3.077 1.00 0.00 N ATOM 1738 CA SER A 96 -10.324 3.782 3.994 1.00 0.00 C ATOM 1739 C SER A 96 -10.497 2.380 3.393 1.00 0.00 C ATOM 1740 O SER A 96 -11.282 2.191 2.459 1.00 0.00 O ATOM 1741 CB SER A 96 -11.102 3.871 5.317 1.00 0.00 C ATOM 1742 OG SER A 96 -12.497 3.681 5.118 1.00 0.00 O ATOM 0 H SER A 96 -11.367 4.490 2.331 1.00 0.00 H new ATOM 0 HA SER A 96 -9.260 3.938 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.727 3.119 6.011 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.929 4.844 5.777 1.00 0.00 H new ATOM 0 HG SER A 96 -12.962 3.742 5.979 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.783 1.387 3.934 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.956 -0.031 3.586 1.00 0.00 C ATOM 1750 C PHE A 97 -9.502 -0.938 4.749 1.00 0.00 C ATOM 1751 O PHE A 97 -8.695 -0.539 5.592 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.171 -0.364 2.302 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.659 -0.272 2.416 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.941 -1.369 2.923 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.963 0.880 2.004 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.543 -1.321 3.033 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.560 0.927 2.109 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.849 -0.174 2.621 1.00 0.00 C ATOM 0 H PHE A 97 -9.059 1.546 4.635 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.015 -0.216 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.433 -1.375 1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.500 0.310 1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.471 -2.258 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.504 1.726 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.002 -2.166 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.027 1.812 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.772 -0.136 2.696 1.00 0.00 H new ATOM 1768 N SER A 98 -9.995 -2.180 4.780 1.00 0.00 N ATOM 1769 CA SER A 98 -9.531 -3.227 5.703 1.00 0.00 C ATOM 1770 C SER A 98 -8.410 -4.071 5.083 1.00 0.00 C ATOM 1771 O SER A 98 -8.590 -4.655 4.014 1.00 0.00 O ATOM 1772 CB SER A 98 -10.707 -4.107 6.122 1.00 0.00 C ATOM 1773 OG SER A 98 -10.253 -5.162 6.947 1.00 0.00 O ATOM 0 H SER A 98 -10.739 -2.493 4.156 1.00 0.00 H new ATOM 0 HA SER A 98 -9.117 -2.743 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.446 -3.510 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.201 -4.512 5.239 1.00 0.00 H new ATOM 0 HG SER A 98 -11.014 -5.720 7.212 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.263 -4.176 5.763 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.101 -4.996 5.359 1.00 0.00 C ATOM 1781 C VAL A 99 -6.435 -6.491 5.272 1.00 0.00 C ATOM 1782 O VAL A 99 -5.881 -7.212 4.440 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.893 -4.753 6.286 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.612 -5.415 5.770 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.570 -3.264 6.478 1.00 0.00 C ATOM 0 H VAL A 99 -7.107 -3.679 6.640 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.830 -4.674 4.354 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.200 -5.196 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.794 -5.212 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.764 -6.492 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.365 -5.013 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.711 -3.161 7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.340 -2.814 5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.430 -2.759 6.918 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.387 -6.942 6.099 1.00 0.00 N ATOM 1796 CA LYS A 100 -7.915 -8.315 6.165 1.00 0.00 C ATOM 1797 C LYS A 100 -8.665 -8.741 4.890 1.00 0.00 C ATOM 1798 O LYS A 100 -8.709 -9.928 4.567 1.00 0.00 O ATOM 1799 CB LYS A 100 -8.808 -8.369 7.420 1.00 0.00 C ATOM 1800 CG LYS A 100 -9.427 -9.735 7.758 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.378 -9.630 8.965 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.646 -9.321 10.280 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.587 -8.921 11.356 1.00 0.00 N ATOM 0 H LYS A 100 -7.835 -6.327 6.778 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.097 -9.032 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.217 -8.041 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.616 -7.648 7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.972 -10.114 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.636 -10.452 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.115 -8.850 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.926 -10.566 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.083 -10.199 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.923 -8.522 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.163 -9.127 12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.783 -7.902 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.475 -9.453 11.256 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.218 -7.790 4.133 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.893 -8.018 2.843 1.00 0.00 C ATOM 1819 C GLU A 101 -8.876 -8.181 1.692 1.00 0.00 C ATOM 1820 O GLU A 101 -8.827 -7.388 0.748 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.931 -6.911 2.577 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.069 -6.928 3.614 1.00 0.00 C ATOM 1823 CD GLU A 101 -13.166 -5.872 3.361 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.009 -4.979 2.491 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -14.213 -5.928 4.052 1.00 0.00 O ATOM 0 H GLU A 101 -9.211 -6.807 4.406 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.437 -8.961 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.438 -5.939 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.348 -7.038 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.526 -7.917 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.646 -6.767 4.605 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.035 -9.218 1.780 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.866 -9.401 0.912 1.00 0.00 C ATOM 1834 C HIS A 102 -7.185 -9.395 -0.591 1.00 0.00 C ATOM 1835 O HIS A 102 -6.502 -8.713 -1.353 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.118 -10.688 1.294 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.695 -10.796 2.740 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.115 -9.812 3.511 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.596 -11.961 3.455 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.699 -10.362 4.661 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -4.975 -11.676 4.677 1.00 0.00 N ATOM 0 H HIS A 102 -8.149 -9.964 2.466 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.231 -8.531 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.755 -11.540 1.056 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.230 -10.769 0.668 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.018 -8.831 3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -5.938 -12.933 3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.211 -9.824 5.461 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.251 -10.084 -1.030 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.666 -10.143 -2.449 1.00 0.00 C ATOM 1851 C ARG A 103 -9.019 -8.769 -3.031 1.00 0.00 C ATOM 1852 O ARG A 103 -8.643 -8.460 -4.164 1.00 0.00 O ATOM 1853 CB ARG A 103 -9.845 -11.117 -2.620 1.00 0.00 C ATOM 1854 CG ARG A 103 -9.484 -12.580 -2.309 1.00 0.00 C ATOM 1855 CD ARG A 103 -10.718 -13.467 -2.503 1.00 0.00 C ATOM 1856 NE ARG A 103 -10.443 -14.878 -2.175 1.00 0.00 N ATOM 1857 CZ ARG A 103 -11.321 -15.865 -2.165 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -12.582 -15.689 -2.442 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -10.922 -17.066 -1.880 1.00 0.00 N ATOM 0 H ARG A 103 -8.856 -10.621 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.806 -10.507 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.660 -10.806 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.214 -11.052 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.678 -12.913 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.120 -12.665 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.530 -13.101 -1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.057 -13.395 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.481 -15.115 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.927 -14.759 -2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.224 -16.481 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.940 -17.240 -1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.590 -17.836 -1.869 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.692 -7.923 -2.240 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.050 -6.544 -2.615 1.00 0.00 C ATOM 1875 C LYS A 104 -8.808 -5.658 -2.737 1.00 0.00 C ATOM 1876 O LYS A 104 -8.700 -4.892 -3.691 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.076 -5.993 -1.603 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.638 -4.599 -1.935 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.352 -4.542 -3.300 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.239 -3.298 -3.463 1.00 0.00 C ATOM 1881 NZ LYS A 104 -12.464 -2.028 -3.461 1.00 0.00 N ATOM 0 H LYS A 104 -10.009 -8.180 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.513 -6.544 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.907 -6.695 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.608 -5.954 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.337 -4.301 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.824 -3.875 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.606 -4.556 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.964 -5.436 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.796 -3.376 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.971 -3.272 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.710 -1.472 -2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.446 -2.242 -3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.693 -1.480 -4.315 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.834 -5.810 -1.836 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.534 -5.132 -1.956 1.00 0.00 C ATOM 1897 C ILE A 105 -5.763 -5.629 -3.182 1.00 0.00 C ATOM 1898 O ILE A 105 -5.287 -4.805 -3.957 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.717 -5.245 -0.653 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.434 -4.419 0.434 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.269 -4.743 -0.839 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.849 -4.605 1.831 1.00 0.00 C ATOM 0 H ILE A 105 -7.919 -6.400 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.719 -4.069 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.653 -6.293 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.385 -3.363 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.488 -4.695 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.727 -4.839 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.773 -5.338 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.283 -3.697 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.404 -3.993 2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.922 -5.654 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.802 -4.301 1.831 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.684 -6.941 -3.423 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.975 -7.491 -4.582 1.00 0.00 C ATOM 1916 C TYR A 106 -5.465 -6.967 -5.938 1.00 0.00 C ATOM 1917 O TYR A 106 -4.651 -6.586 -6.778 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.967 -9.027 -4.566 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.205 -9.721 -3.445 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -2.972 -9.230 -2.961 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -4.746 -10.901 -2.897 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.300 -9.905 -1.921 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.074 -11.582 -1.869 1.00 0.00 C ATOM 1924 CZ TYR A 106 -2.849 -11.091 -1.384 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.201 -11.788 -0.417 1.00 0.00 O ATOM 0 H TYR A 106 -6.108 -7.649 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 106 -3.953 -7.128 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.002 -9.367 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.553 -9.370 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.543 -8.336 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.684 -11.284 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.369 -9.517 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.498 -12.483 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.323 -11.384 -0.255 1.00 0.00 H new ATOM 1935 N THR A 107 -6.785 -6.871 -6.138 1.00 0.00 N ATOM 1936 CA THR A 107 -7.359 -6.246 -7.343 1.00 0.00 C ATOM 1937 C THR A 107 -7.122 -4.734 -7.477 1.00 0.00 C ATOM 1938 O THR A 107 -6.814 -4.244 -8.567 1.00 0.00 O ATOM 1939 CB THR A 107 -8.811 -6.689 -7.593 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.103 -6.601 -8.971 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.857 -5.856 -6.855 1.00 0.00 C ATOM 0 H THR A 107 -7.481 -7.219 -5.479 1.00 0.00 H new ATOM 0 HA THR A 107 -6.775 -6.644 -8.173 1.00 0.00 H new ATOM 0 HB THR A 107 -8.870 -7.710 -7.216 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.028 -6.885 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.853 -6.235 -7.086 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.684 -5.923 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.782 -4.815 -7.171 1.00 0.00 H new ATOM 1949 N MET A 108 -7.151 -3.989 -6.363 1.00 0.00 N ATOM 1950 CA MET A 108 -6.749 -2.573 -6.350 1.00 0.00 C ATOM 1951 C MET A 108 -5.251 -2.385 -6.642 1.00 0.00 C ATOM 1952 O MET A 108 -4.888 -1.492 -7.402 1.00 0.00 O ATOM 1953 CB MET A 108 -7.127 -1.895 -5.022 1.00 0.00 C ATOM 1954 CG MET A 108 -8.645 -1.740 -4.864 1.00 0.00 C ATOM 1955 SD MET A 108 -9.195 -0.681 -3.490 1.00 0.00 S ATOM 1956 CE MET A 108 -8.567 -1.568 -2.035 1.00 0.00 C ATOM 0 H MET A 108 -7.450 -4.344 -5.455 1.00 0.00 H new ATOM 0 HA MET A 108 -7.301 -2.089 -7.156 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.735 -2.482 -4.191 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.656 -0.914 -4.970 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.048 -1.336 -5.793 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.080 -2.730 -4.731 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.913 -1.071 -1.129 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.933 -2.595 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.477 -1.571 -2.053 1.00 0.00 H new ATOM 1966 N MET A 109 -4.381 -3.251 -6.111 1.00 0.00 N ATOM 1967 CA MET A 109 -2.939 -3.239 -6.385 1.00 0.00 C ATOM 1968 C MET A 109 -2.630 -3.613 -7.838 1.00 0.00 C ATOM 1969 O MET A 109 -1.823 -2.946 -8.481 1.00 0.00 O ATOM 1970 CB MET A 109 -2.196 -4.178 -5.420 1.00 0.00 C ATOM 1971 CG MET A 109 -2.167 -3.652 -3.980 1.00 0.00 C ATOM 1972 SD MET A 109 -1.343 -2.053 -3.739 1.00 0.00 S ATOM 1973 CE MET A 109 0.382 -2.483 -4.097 1.00 0.00 C ATOM 0 H MET A 109 -4.663 -3.992 -5.469 1.00 0.00 H new ATOM 0 HA MET A 109 -2.587 -2.220 -6.226 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.674 -5.158 -5.434 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.174 -4.317 -5.771 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.194 -3.568 -3.623 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.671 -4.393 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.003 -2.246 -3.233 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.454 -3.549 -4.314 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.728 -1.913 -4.959 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.321 -4.612 -8.397 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.216 -4.969 -9.812 1.00 0.00 C ATOM 1985 C ALA A 110 -3.647 -3.808 -10.732 1.00 0.00 C ATOM 1986 O ALA A 110 -3.030 -3.580 -11.774 1.00 0.00 O ATOM 1987 CB ALA A 110 -4.059 -6.226 -10.047 1.00 0.00 C ATOM 0 H ALA A 110 -3.973 -5.198 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.175 -5.172 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.998 -6.514 -11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.682 -7.038 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.098 -6.021 -9.787 1.00 0.00 H new ATOM 1993 N SER A 111 -4.631 -3.002 -10.318 1.00 0.00 N ATOM 1994 CA SER A 111 -5.039 -1.769 -11.016 1.00 0.00 C ATOM 1995 C SER A 111 -3.983 -0.644 -10.978 1.00 0.00 C ATOM 1996 O SER A 111 -4.124 0.353 -11.690 1.00 0.00 O ATOM 1997 CB SER A 111 -6.377 -1.255 -10.466 1.00 0.00 C ATOM 1998 OG SER A 111 -7.411 -2.206 -10.669 1.00 0.00 O ATOM 0 H SER A 111 -5.177 -3.187 -9.477 1.00 0.00 H new ATOM 0 HA SER A 111 -5.148 -2.047 -12.064 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.279 -1.042 -9.402 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.639 -0.317 -10.956 1.00 0.00 H new ATOM 0 HG SER A 111 -7.324 -2.929 -10.013 1.00 0.00 H new ATOM 2004 N MET A 112 -2.911 -0.792 -10.186 1.00 0.00 N ATOM 2005 CA MET A 112 -1.745 0.108 -10.142 1.00 0.00 C ATOM 2006 C MET A 112 -0.511 -0.437 -10.891 1.00 0.00 C ATOM 2007 O MET A 112 0.547 0.195 -10.862 1.00 0.00 O ATOM 2008 CB MET A 112 -1.383 0.461 -8.688 1.00 0.00 C ATOM 2009 CG MET A 112 -2.552 1.043 -7.886 1.00 0.00 C ATOM 2010 SD MET A 112 -2.142 1.406 -6.158 1.00 0.00 S ATOM 2011 CE MET A 112 -3.763 1.164 -5.391 1.00 0.00 C ATOM 0 H MET A 112 -2.827 -1.571 -9.533 1.00 0.00 H new ATOM 0 HA MET A 112 -2.045 1.013 -10.671 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.020 -0.435 -8.185 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.563 1.179 -8.691 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.892 1.959 -8.369 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.385 0.340 -7.913 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.790 1.674 -4.428 1.00 0.00 H new ATOM 0 HE2 MET A 112 -4.537 1.574 -6.040 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.940 0.099 -5.243 1.00 0.00 H new ATOM 2021 N THR A 113 -0.626 -1.590 -11.563 1.00 0.00 N ATOM 2022 CA THR A 113 0.450 -2.243 -12.342 1.00 0.00 C ATOM 2023 C THR A 113 0.047 -2.713 -13.747 1.00 0.00 C ATOM 2024 O THR A 113 0.840 -2.607 -14.686 1.00 0.00 O ATOM 2025 CB THR A 113 1.160 -3.362 -11.551 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.410 -4.555 -11.620 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.410 -3.066 -10.069 1.00 0.00 C ATOM 0 H THR A 113 -1.499 -2.117 -11.584 1.00 0.00 H new ATOM 0 HA THR A 113 1.169 -1.441 -12.510 1.00 0.00 H new ATOM 0 HB THR A 113 2.136 -3.448 -12.029 1.00 0.00 H new ATOM 0 HG1 THR A 113 0.869 -5.260 -11.117 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.913 -3.916 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.037 -2.179 -9.976 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.458 -2.892 -9.567 1.00 0.00 H new