USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 157 LYS NZ :NH3+ -123:sc= 0 (180deg=0) USER MOD Set 1.2: A 186 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Single : A 153 HIS : no HE2:sc= -0.436 K(o=-0.44,f=-4.2!) USER MOD Single : A 154 MET CE :methyl -145:sc= -0.484 (180deg=-1.87!) USER MOD Single : A 156 THR OG1 : rot 40:sc= -1.88 USER MOD Single : A 160 GLN : amide:sc= -0.689 K(o=-0.69,f=-0.14) USER MOD Single : A 166 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.1) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ -157:sc= -0.122 (180deg=-0.66) USER MOD Single : A 182 THR OG1 : rot 81:sc= 0.746 USER MOD Single : A 185 ASN : amide:sc= -2.5 X(o=-2.5,f=-2.6!) USER MOD Single : A 190 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 195 GLN : amide:sc= -3.53 K(o=-3.5,f=-8.3!) USER MOD Single : A 197 ASN : amide:sc=-0.00552 X(o=-0.0055,f=-0.42) USER MOD Single : A 198 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.3!) USER MOD Single : A 205 SER OG : rot -178:sc= 1.1 USER MOD Single : A 206 ASN : amide:sc= -0.355 K(o=-0.36,f=-3.2!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.16) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 214 ASN : amide:sc= -0.5 K(o=-0.5,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -13.679 7.101 5.305 1.00 0.00 N ATOM 2 CA HIS A 153 -13.461 7.752 3.984 1.00 0.00 C ATOM 3 C HIS A 153 -14.561 7.385 2.993 1.00 0.00 C ATOM 4 O HIS A 153 -15.225 6.357 3.138 1.00 0.00 O ATOM 5 CB HIS A 153 -12.091 7.320 3.442 1.00 0.00 C ATOM 6 CG HIS A 153 -12.016 5.871 3.065 1.00 0.00 C ATOM 7 ND1 HIS A 153 -13.021 4.964 3.333 1.00 0.00 N ATOM 8 CD2 HIS A 153 -11.042 5.171 2.435 1.00 0.00 C ATOM 9 CE1 HIS A 153 -12.670 3.772 2.887 1.00 0.00 C ATOM 10 NE2 HIS A 153 -11.472 3.871 2.336 1.00 0.00 N ATOM 0 HA HIS A 153 -13.489 8.834 4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -11.850 7.926 2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -11.331 7.529 4.195 1.00 0.00 H new ATOM 0 HD1 HIS A 153 -13.900 5.181 3.803 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -10.102 5.563 2.077 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -13.260 2.870 2.960 1.00 0.00 H new ATOM 21 N MET A 154 -14.753 8.233 1.987 1.00 0.00 N ATOM 22 CA MET A 154 -15.774 7.999 0.973 1.00 0.00 C ATOM 23 C MET A 154 -15.144 7.547 -0.340 1.00 0.00 C ATOM 24 O MET A 154 -15.722 6.745 -1.074 1.00 0.00 O ATOM 25 CB MET A 154 -16.597 9.268 0.746 1.00 0.00 C ATOM 26 CG MET A 154 -17.365 9.724 1.975 1.00 0.00 C ATOM 27 SD MET A 154 -17.843 11.460 1.891 1.00 0.00 S ATOM 28 CE MET A 154 -16.250 12.238 1.638 1.00 0.00 C ATOM 0 H MET A 154 -14.214 9.089 1.853 1.00 0.00 H new ATOM 0 HA MET A 154 -16.431 7.207 1.332 1.00 0.00 H new ATOM 0 HB2 MET A 154 -15.932 10.070 0.426 1.00 0.00 H new ATOM 0 HB3 MET A 154 -17.301 9.094 -0.068 1.00 0.00 H new ATOM 0 HG2 MET A 154 -18.259 9.110 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 154 -16.752 9.562 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 154 -16.228 13.198 2.153 1.00 0.00 H new ATOM 0 HE2 MET A 154 -15.464 11.595 2.035 1.00 0.00 H new ATOM 0 HE3 MET A 154 -16.087 12.394 0.572 1.00 0.00 H new ATOM 38 N GLU A 155 -13.955 8.068 -0.629 1.00 0.00 N ATOM 39 CA GLU A 155 -13.246 7.719 -1.854 1.00 0.00 C ATOM 40 C GLU A 155 -12.021 6.865 -1.547 1.00 0.00 C ATOM 41 O GLU A 155 -11.281 7.140 -0.602 1.00 0.00 O ATOM 42 CB GLU A 155 -12.826 8.983 -2.603 1.00 0.00 C ATOM 43 CG GLU A 155 -11.925 9.899 -1.795 1.00 0.00 C ATOM 44 CD GLU A 155 -12.658 11.111 -1.252 1.00 0.00 C ATOM 45 OE1 GLU A 155 -13.616 11.568 -1.911 1.00 0.00 O ATOM 46 OE2 GLU A 155 -12.276 11.601 -0.168 1.00 0.00 O ATOM 0 H GLU A 155 -13.463 8.733 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 155 -13.922 7.141 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -12.311 8.697 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -13.719 9.534 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -11.494 9.338 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -11.096 10.231 -2.420 1.00 0.00 H new ATOM 53 N THR A 156 -11.811 5.828 -2.351 1.00 0.00 N ATOM 54 CA THR A 156 -10.674 4.935 -2.165 1.00 0.00 C ATOM 55 C THR A 156 -9.513 5.336 -3.069 1.00 0.00 C ATOM 56 O THR A 156 -9.717 5.831 -4.176 1.00 0.00 O ATOM 57 CB THR A 156 -11.082 3.489 -2.452 1.00 0.00 C ATOM 58 OG1 THR A 156 -10.011 2.603 -2.184 1.00 0.00 O ATOM 59 CG2 THR A 156 -11.521 3.262 -3.882 1.00 0.00 C ATOM 0 H THR A 156 -12.413 5.586 -3.138 1.00 0.00 H new ATOM 0 HA THR A 156 -10.348 5.015 -1.128 1.00 0.00 H new ATOM 0 HB THR A 156 -11.930 3.293 -1.795 1.00 0.00 H new ATOM 0 HG1 THR A 156 -9.546 2.889 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.796 2.216 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.380 3.895 -4.104 1.00 0.00 H new ATOM 0 HG23 THR A 156 -10.703 3.512 -4.558 1.00 0.00 H new ATOM 67 N LYS A 157 -8.293 5.117 -2.587 1.00 0.00 N ATOM 68 CA LYS A 157 -7.098 5.455 -3.352 1.00 0.00 C ATOM 69 C LYS A 157 -6.448 4.203 -3.930 1.00 0.00 C ATOM 70 O LYS A 157 -6.795 3.082 -3.554 1.00 0.00 O ATOM 71 CB LYS A 157 -6.098 6.203 -2.469 1.00 0.00 C ATOM 72 CG LYS A 157 -6.289 7.710 -2.477 1.00 0.00 C ATOM 73 CD LYS A 157 -5.963 8.320 -1.122 1.00 0.00 C ATOM 74 CE LYS A 157 -6.657 9.659 -0.932 1.00 0.00 C ATOM 75 NZ LYS A 157 -6.634 10.099 0.491 1.00 0.00 N ATOM 0 H LYS A 157 -8.107 4.708 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 157 -7.396 6.100 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -6.187 5.839 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.087 5.971 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.651 8.155 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -7.319 7.946 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.268 7.635 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.885 8.452 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.170 10.411 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.690 9.584 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -7.607 10.257 0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.185 9.364 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.093 10.984 0.572 1.00 0.00 H new ATOM 89 N PHE A 158 -5.503 4.399 -4.842 1.00 0.00 N ATOM 90 CA PHE A 158 -4.803 3.284 -5.470 1.00 0.00 C ATOM 91 C PHE A 158 -3.340 3.635 -5.727 1.00 0.00 C ATOM 92 O PHE A 158 -3.032 4.486 -6.561 1.00 0.00 O ATOM 93 CB PHE A 158 -5.486 2.903 -6.786 1.00 0.00 C ATOM 94 CG PHE A 158 -6.781 2.165 -6.599 1.00 0.00 C ATOM 95 CD1 PHE A 158 -6.795 0.892 -6.050 1.00 0.00 C ATOM 96 CD2 PHE A 158 -7.984 2.743 -6.972 1.00 0.00 C ATOM 97 CE1 PHE A 158 -7.984 0.211 -5.876 1.00 0.00 C ATOM 98 CE2 PHE A 158 -9.176 2.065 -6.801 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.177 0.798 -6.253 1.00 0.00 C ATOM 0 H PHE A 158 -5.204 5.320 -5.163 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.840 2.434 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.673 3.808 -7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.807 2.285 -7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -5.866 0.428 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -7.990 3.734 -7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -7.981 -0.780 -5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -10.107 2.526 -7.096 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.108 0.267 -6.119 1.00 0.00 H new ATOM 109 N VAL A 159 -2.444 2.972 -5.003 1.00 0.00 N ATOM 110 CA VAL A 159 -1.014 3.213 -5.152 1.00 0.00 C ATOM 111 C VAL A 159 -0.337 2.059 -5.883 1.00 0.00 C ATOM 112 O VAL A 159 -0.793 0.918 -5.822 1.00 0.00 O ATOM 113 CB VAL A 159 -0.331 3.411 -3.785 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.822 4.689 -3.125 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.579 2.211 -2.886 1.00 0.00 C ATOM 0 H VAL A 159 -2.683 2.265 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 159 -0.906 4.126 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 159 0.743 3.500 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.329 4.813 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.589 5.541 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.900 4.631 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.089 2.369 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.651 2.088 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.175 1.314 -3.356 1.00 0.00 H new ATOM 125 N GLN A 160 0.757 2.366 -6.574 1.00 0.00 N ATOM 126 CA GLN A 160 1.498 1.354 -7.319 1.00 0.00 C ATOM 127 C GLN A 160 2.878 1.134 -6.708 1.00 0.00 C ATOM 128 O GLN A 160 3.732 2.021 -6.745 1.00 0.00 O ATOM 129 CB GLN A 160 1.633 1.765 -8.784 1.00 0.00 C ATOM 130 CG GLN A 160 1.513 0.603 -9.757 1.00 0.00 C ATOM 131 CD GLN A 160 2.360 0.793 -11.000 1.00 0.00 C ATOM 132 OE1 GLN A 160 1.840 0.878 -12.112 1.00 0.00 O ATOM 133 NE2 GLN A 160 3.674 0.859 -10.817 1.00 0.00 N ATOM 0 H GLN A 160 1.149 3.306 -6.633 1.00 0.00 H new ATOM 0 HA GLN A 160 0.943 0.418 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.866 2.504 -9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.598 2.251 -8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.811 -0.318 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.469 0.484 -10.048 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.062 0.784 -9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 160 4.295 0.985 -11.617 1.00 0.00 H new ATOM 142 N ALA A 161 3.088 -0.050 -6.145 1.00 0.00 N ATOM 143 CA ALA A 161 4.359 -0.390 -5.523 1.00 0.00 C ATOM 144 C ALA A 161 5.488 -0.436 -6.546 1.00 0.00 C ATOM 145 O ALA A 161 5.253 -0.658 -7.734 1.00 0.00 O ATOM 146 CB ALA A 161 4.248 -1.725 -4.804 1.00 0.00 C ATOM 0 H ALA A 161 2.390 -0.793 -6.107 1.00 0.00 H new ATOM 0 HA ALA A 161 4.597 0.390 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.204 -1.970 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.479 -1.661 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.981 -2.503 -5.520 1.00 0.00 H new ATOM 152 N LEU A 162 6.715 -0.238 -6.077 1.00 0.00 N ATOM 153 CA LEU A 162 7.883 -0.272 -6.953 1.00 0.00 C ATOM 154 C LEU A 162 8.802 -1.442 -6.600 1.00 0.00 C ATOM 155 O LEU A 162 9.710 -1.779 -7.358 1.00 0.00 O ATOM 156 CB LEU A 162 8.663 1.041 -6.876 1.00 0.00 C ATOM 157 CG LEU A 162 8.860 1.595 -5.465 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.340 1.741 -5.148 1.00 0.00 C ATOM 159 CD2 LEU A 162 8.146 2.926 -5.314 1.00 0.00 C ATOM 0 H LEU A 162 6.928 -0.052 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 162 7.523 -0.407 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.642 0.891 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 162 8.144 1.790 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 162 8.428 0.890 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.459 2.137 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.824 0.767 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.799 2.424 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 162 8.296 3.307 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.548 3.639 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 162 7.080 2.790 -5.496 1.00 0.00 H new ATOM 171 N PHE A 163 8.557 -2.061 -5.445 1.00 0.00 N ATOM 172 CA PHE A 163 9.362 -3.192 -4.996 1.00 0.00 C ATOM 173 C PHE A 163 8.501 -4.196 -4.234 1.00 0.00 C ATOM 174 O PHE A 163 7.731 -3.821 -3.349 1.00 0.00 O ATOM 175 CB PHE A 163 10.512 -2.706 -4.112 1.00 0.00 C ATOM 176 CG PHE A 163 11.868 -2.912 -4.726 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.537 -4.117 -4.573 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.472 -1.901 -5.455 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.783 -4.308 -5.136 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.720 -2.087 -6.021 1.00 0.00 C ATOM 181 CZ PHE A 163 14.377 -3.292 -5.862 1.00 0.00 C ATOM 0 H PHE A 163 7.808 -1.797 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 163 9.777 -3.688 -5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.375 -1.645 -3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 163 10.471 -3.229 -3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 163 12.078 -4.915 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.963 -0.957 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 163 14.294 -5.251 -5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 163 14.181 -1.291 -6.587 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.352 -3.440 -6.303 1.00 0.00 H new ATOM 191 N ASP A 164 8.633 -5.471 -4.584 1.00 0.00 N ATOM 192 CA ASP A 164 7.864 -6.527 -3.934 1.00 0.00 C ATOM 193 C ASP A 164 8.083 -6.511 -2.424 1.00 0.00 C ATOM 194 O ASP A 164 9.186 -6.236 -1.950 1.00 0.00 O ATOM 195 CB ASP A 164 8.254 -7.893 -4.502 1.00 0.00 C ATOM 196 CG ASP A 164 7.558 -8.192 -5.816 1.00 0.00 C ATOM 197 OD1 ASP A 164 7.977 -7.633 -6.851 1.00 0.00 O ATOM 198 OD2 ASP A 164 6.592 -8.985 -5.810 1.00 0.00 O ATOM 0 H ASP A 164 9.265 -5.799 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 164 6.807 -6.346 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.333 -7.928 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 164 8.006 -8.669 -3.778 1.00 0.00 H new ATOM 203 N PHE A 165 7.026 -6.809 -1.672 1.00 0.00 N ATOM 204 CA PHE A 165 7.107 -6.828 -0.217 1.00 0.00 C ATOM 205 C PHE A 165 6.581 -8.146 0.340 1.00 0.00 C ATOM 206 O PHE A 165 5.379 -8.414 0.302 1.00 0.00 O ATOM 207 CB PHE A 165 6.314 -5.660 0.373 1.00 0.00 C ATOM 208 CG PHE A 165 6.787 -5.240 1.735 1.00 0.00 C ATOM 209 CD1 PHE A 165 7.939 -4.486 1.880 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.080 -5.601 2.871 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.379 -4.099 3.131 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.514 -5.216 4.125 1.00 0.00 C ATOM 213 CZ PHE A 165 7.665 -4.464 4.257 1.00 0.00 C ATOM 0 H PHE A 165 6.106 -7.040 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 165 8.155 -6.727 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.380 -4.808 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.262 -5.939 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.501 -4.197 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.180 -6.190 2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.280 -3.512 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.953 -5.503 5.002 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.006 -4.162 5.236 1.00 0.00 H new ATOM 223 N ASN A 166 7.489 -8.965 0.860 1.00 0.00 N ATOM 224 CA ASN A 166 7.119 -10.255 1.430 1.00 0.00 C ATOM 225 C ASN A 166 7.297 -10.251 2.945 1.00 0.00 C ATOM 226 O ASN A 166 8.284 -10.771 3.466 1.00 0.00 O ATOM 227 CB ASN A 166 7.963 -11.371 0.807 1.00 0.00 C ATOM 228 CG ASN A 166 7.216 -12.688 0.735 1.00 0.00 C ATOM 229 OD1 ASN A 166 7.227 -13.475 1.682 1.00 0.00 O ATOM 230 ND2 ASN A 166 6.561 -12.935 -0.394 1.00 0.00 N ATOM 0 H ASN A 166 8.487 -8.758 0.898 1.00 0.00 H new ATOM 0 HA ASN A 166 6.068 -10.436 1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 166 8.269 -11.075 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 166 8.873 -11.504 1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 166 6.040 -13.805 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 166 6.579 -12.254 -1.153 1.00 0.00 H new ATOM 237 N PRO A 167 6.338 -9.658 3.678 1.00 0.00 N ATOM 238 CA PRO A 167 6.393 -9.586 5.138 1.00 0.00 C ATOM 239 C PRO A 167 6.013 -10.906 5.799 1.00 0.00 C ATOM 240 O PRO A 167 4.927 -11.440 5.565 1.00 0.00 O ATOM 241 CB PRO A 167 5.367 -8.505 5.470 1.00 0.00 C ATOM 242 CG PRO A 167 4.376 -8.564 4.359 1.00 0.00 C ATOM 243 CD PRO A 167 5.126 -9.012 3.137 1.00 0.00 C ATOM 0 HA PRO A 167 7.397 -9.369 5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.893 -8.693 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.834 -7.522 5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.570 -9.259 4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.918 -7.588 4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.536 -9.707 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.377 -8.170 2.492 1.00 0.00 H new ATOM 251 N GLN A 168 6.910 -11.425 6.631 1.00 0.00 N ATOM 252 CA GLN A 168 6.666 -12.681 7.331 1.00 0.00 C ATOM 253 C GLN A 168 6.087 -12.429 8.722 1.00 0.00 C ATOM 254 O GLN A 168 6.117 -13.308 9.584 1.00 0.00 O ATOM 255 CB GLN A 168 7.964 -13.483 7.446 1.00 0.00 C ATOM 256 CG GLN A 168 8.361 -14.184 6.157 1.00 0.00 C ATOM 257 CD GLN A 168 7.404 -15.298 5.781 1.00 0.00 C ATOM 258 OE1 GLN A 168 7.511 -16.418 6.278 1.00 0.00 O ATOM 259 NE2 GLN A 168 6.459 -14.993 4.898 1.00 0.00 N ATOM 0 H GLN A 168 7.812 -10.996 6.837 1.00 0.00 H new ATOM 0 HA GLN A 168 5.940 -13.254 6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.769 -12.814 7.749 1.00 0.00 H new ATOM 0 HB3 GLN A 168 7.853 -14.227 8.235 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.400 -13.455 5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 168 9.365 -14.594 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 168 6.407 -14.051 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 168 5.785 -15.701 4.607 1.00 0.00 H new ATOM 268 N GLU A 169 5.556 -11.227 8.934 1.00 0.00 N ATOM 269 CA GLU A 169 4.970 -10.866 10.219 1.00 0.00 C ATOM 270 C GLU A 169 3.576 -10.275 10.032 1.00 0.00 C ATOM 271 O GLU A 169 3.139 -10.037 8.905 1.00 0.00 O ATOM 272 CB GLU A 169 5.867 -9.868 10.952 1.00 0.00 C ATOM 273 CG GLU A 169 7.340 -10.241 10.928 1.00 0.00 C ATOM 274 CD GLU A 169 8.244 -9.071 11.267 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.845 -7.918 11.004 1.00 0.00 O ATOM 276 OE2 GLU A 169 9.349 -9.311 11.796 1.00 0.00 O ATOM 0 H GLU A 169 5.520 -10.488 8.232 1.00 0.00 H new ATOM 0 HA GLU A 169 4.884 -11.772 10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.743 -8.883 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.538 -9.789 11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.518 -11.050 11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.599 -10.621 9.940 1.00 0.00 H new ATOM 283 N SER A 170 2.884 -10.039 11.141 1.00 0.00 N ATOM 284 CA SER A 170 1.540 -9.476 11.095 1.00 0.00 C ATOM 285 C SER A 170 1.585 -7.953 11.144 1.00 0.00 C ATOM 286 O SER A 170 2.451 -7.366 11.794 1.00 0.00 O ATOM 287 CB SER A 170 0.701 -10.010 12.257 1.00 0.00 C ATOM 288 OG SER A 170 0.854 -11.412 12.395 1.00 0.00 O ATOM 0 H SER A 170 3.231 -10.228 12.081 1.00 0.00 H new ATOM 0 HA SER A 170 1.080 -9.777 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.999 -9.516 13.182 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.349 -9.770 12.091 1.00 0.00 H new ATOM 0 HG SER A 170 0.309 -11.728 13.146 1.00 0.00 H new ATOM 294 N GLY A 171 0.646 -7.318 10.448 1.00 0.00 N ATOM 295 CA GLY A 171 0.595 -5.869 10.421 1.00 0.00 C ATOM 296 C GLY A 171 0.989 -5.303 9.073 1.00 0.00 C ATOM 297 O GLY A 171 0.456 -4.282 8.640 1.00 0.00 O ATOM 0 H GLY A 171 -0.080 -7.782 9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.414 -5.539 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.259 -5.470 11.188 1.00 0.00 H new ATOM 301 N GLU A 172 1.928 -5.967 8.408 1.00 0.00 N ATOM 302 CA GLU A 172 2.394 -5.525 7.099 1.00 0.00 C ATOM 303 C GLU A 172 1.623 -6.222 5.984 1.00 0.00 C ATOM 304 O GLU A 172 1.417 -7.433 6.026 1.00 0.00 O ATOM 305 CB GLU A 172 3.892 -5.799 6.949 1.00 0.00 C ATOM 306 CG GLU A 172 4.749 -5.078 7.976 1.00 0.00 C ATOM 307 CD GLU A 172 5.903 -5.929 8.472 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.723 -6.362 7.635 1.00 0.00 O ATOM 309 OE2 GLU A 172 5.985 -6.160 9.697 1.00 0.00 O ATOM 0 H GLU A 172 2.381 -6.813 8.754 1.00 0.00 H new ATOM 0 HA GLU A 172 2.219 -4.452 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.066 -6.872 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.209 -5.500 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.141 -4.161 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.127 -4.786 8.822 1.00 0.00 H new ATOM 316 N LEU A 173 1.193 -5.449 4.990 1.00 0.00 N ATOM 317 CA LEU A 173 0.438 -6.005 3.872 1.00 0.00 C ATOM 318 C LEU A 173 1.381 -6.631 2.842 1.00 0.00 C ATOM 319 O LEU A 173 2.505 -6.167 2.653 1.00 0.00 O ATOM 320 CB LEU A 173 -0.445 -4.918 3.231 1.00 0.00 C ATOM 321 CG LEU A 173 -0.371 -4.781 1.707 1.00 0.00 C ATOM 322 CD1 LEU A 173 -1.244 -5.833 1.038 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.794 -3.384 1.279 1.00 0.00 C ATOM 0 H LEU A 173 1.353 -4.443 4.936 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.214 -6.794 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.481 -5.116 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.177 -3.958 3.672 1.00 0.00 H new ATOM 0 HG LEU A 173 0.661 -4.939 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.181 -5.723 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.899 -6.827 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.278 -5.703 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.736 -3.303 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.818 -3.199 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.131 -2.648 1.734 1.00 0.00 H new ATOM 335 N ALA A 174 0.910 -7.683 2.177 1.00 0.00 N ATOM 336 CA ALA A 174 1.708 -8.361 1.164 1.00 0.00 C ATOM 337 C ALA A 174 1.389 -7.825 -0.226 1.00 0.00 C ATOM 338 O ALA A 174 0.298 -8.050 -0.753 1.00 0.00 O ATOM 339 CB ALA A 174 1.469 -9.863 1.221 1.00 0.00 C ATOM 0 H ALA A 174 -0.017 -8.082 2.322 1.00 0.00 H new ATOM 0 HA ALA A 174 2.760 -8.166 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.072 -10.357 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.750 -10.239 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.414 -10.071 1.040 1.00 0.00 H new ATOM 345 N PHE A 175 2.340 -7.108 -0.815 1.00 0.00 N ATOM 346 CA PHE A 175 2.152 -6.534 -2.142 1.00 0.00 C ATOM 347 C PHE A 175 3.364 -6.791 -3.031 1.00 0.00 C ATOM 348 O PHE A 175 4.483 -6.945 -2.545 1.00 0.00 O ATOM 349 CB PHE A 175 1.893 -5.029 -2.035 1.00 0.00 C ATOM 350 CG PHE A 175 2.919 -4.293 -1.221 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.046 -4.528 0.139 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.757 -3.362 -1.816 1.00 0.00 C ATOM 353 CE1 PHE A 175 3.987 -3.850 0.890 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.700 -2.681 -1.069 1.00 0.00 C ATOM 355 CZ PHE A 175 4.815 -2.926 0.285 1.00 0.00 C ATOM 0 H PHE A 175 3.248 -6.911 -0.395 1.00 0.00 H new ATOM 0 HA PHE A 175 1.287 -7.016 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 175 1.864 -4.603 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 175 0.910 -4.870 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.401 -5.250 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.672 -3.167 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.075 -4.043 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.346 -1.958 -1.544 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.552 -2.395 0.870 1.00 0.00 H new ATOM 365 N LYS A 176 3.126 -6.835 -4.339 1.00 0.00 N ATOM 366 CA LYS A 176 4.195 -7.073 -5.302 1.00 0.00 C ATOM 367 C LYS A 176 4.602 -5.775 -5.990 1.00 0.00 C ATOM 368 O LYS A 176 4.211 -4.687 -5.566 1.00 0.00 O ATOM 369 CB LYS A 176 3.750 -8.101 -6.344 1.00 0.00 C ATOM 370 CG LYS A 176 3.078 -9.325 -5.744 1.00 0.00 C ATOM 371 CD LYS A 176 2.930 -10.438 -6.768 1.00 0.00 C ATOM 372 CE LYS A 176 2.531 -11.749 -6.111 1.00 0.00 C ATOM 373 NZ LYS A 176 3.526 -12.187 -5.094 1.00 0.00 N ATOM 0 H LYS A 176 2.203 -6.709 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 176 5.058 -7.464 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 176 3.061 -7.624 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.618 -8.420 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 176 3.663 -9.684 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 176 2.096 -9.050 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 176 2.180 -10.157 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 176 3.871 -10.569 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 176 1.555 -11.636 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 176 2.428 -12.521 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 3.451 -13.215 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 4.484 -11.952 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 3.339 -11.701 -4.194 1.00 0.00 H new ATOM 387 N ARG A 177 5.387 -5.893 -7.055 1.00 0.00 N ATOM 388 CA ARG A 177 5.848 -4.728 -7.799 1.00 0.00 C ATOM 389 C ARG A 177 4.758 -4.209 -8.732 1.00 0.00 C ATOM 390 O ARG A 177 4.104 -4.981 -9.433 1.00 0.00 O ATOM 391 CB ARG A 177 7.104 -5.072 -8.602 1.00 0.00 C ATOM 392 CG ARG A 177 8.334 -4.298 -8.161 1.00 0.00 C ATOM 393 CD ARG A 177 9.523 -4.578 -9.068 1.00 0.00 C ATOM 394 NE ARG A 177 9.264 -4.179 -10.449 1.00 0.00 N ATOM 395 CZ ARG A 177 9.221 -2.913 -10.858 1.00 0.00 C ATOM 396 NH1 ARG A 177 9.417 -1.922 -9.997 1.00 0.00 N ATOM 397 NH2 ARG A 177 8.979 -2.636 -12.132 1.00 0.00 N ATOM 0 H ARG A 177 5.718 -6.785 -7.422 1.00 0.00 H new ATOM 0 HA ARG A 177 6.089 -3.944 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.304 -6.140 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.917 -4.872 -9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.115 -3.230 -8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.586 -4.567 -7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 177 10.397 -4.045 -8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.761 -5.641 -9.036 1.00 0.00 H new ATOM 0 HE ARG A 177 9.107 -4.913 -11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 177 9.602 -2.128 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 177 9.383 -0.954 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 177 8.826 -3.393 -12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 177 8.946 -1.666 -12.446 1.00 0.00 H new ATOM 411 N GLY A 178 4.572 -2.895 -8.733 1.00 0.00 N ATOM 412 CA GLY A 178 3.564 -2.284 -9.580 1.00 0.00 C ATOM 413 C GLY A 178 2.165 -2.772 -9.258 1.00 0.00 C ATOM 414 O GLY A 178 1.250 -2.630 -10.069 1.00 0.00 O ATOM 0 H GLY A 178 5.103 -2.239 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.604 -1.201 -9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.790 -2.501 -10.624 1.00 0.00 H new ATOM 418 N ASP A 179 1.999 -3.343 -8.071 1.00 0.00 N ATOM 419 CA ASP A 179 0.708 -3.852 -7.642 1.00 0.00 C ATOM 420 C ASP A 179 -0.172 -2.721 -7.119 1.00 0.00 C ATOM 421 O ASP A 179 0.177 -2.049 -6.149 1.00 0.00 O ATOM 422 CB ASP A 179 0.894 -4.915 -6.560 1.00 0.00 C ATOM 423 CG ASP A 179 -0.408 -5.593 -6.183 1.00 0.00 C ATOM 424 OD1 ASP A 179 -1.479 -5.069 -6.552 1.00 0.00 O ATOM 425 OD2 ASP A 179 -0.355 -6.648 -5.517 1.00 0.00 O ATOM 0 H ASP A 179 2.747 -3.464 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 179 0.214 -4.303 -8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 179 1.603 -5.665 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.330 -4.454 -5.674 1.00 0.00 H new ATOM 430 N VAL A 180 -1.316 -2.516 -7.768 1.00 0.00 N ATOM 431 CA VAL A 180 -2.241 -1.466 -7.365 1.00 0.00 C ATOM 432 C VAL A 180 -2.898 -1.803 -6.031 1.00 0.00 C ATOM 433 O VAL A 180 -3.850 -2.581 -5.975 1.00 0.00 O ATOM 434 CB VAL A 180 -3.338 -1.245 -8.424 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.199 -0.045 -8.063 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.719 -1.069 -9.803 1.00 0.00 C ATOM 0 H VAL A 180 -1.622 -3.063 -8.573 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.659 -0.550 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.978 -2.127 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.967 0.094 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.672 -0.215 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.576 0.848 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.508 -0.914 -10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.055 -0.205 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.150 -1.962 -10.063 1.00 0.00 H new ATOM 446 N ILE A 181 -2.378 -1.215 -4.958 1.00 0.00 N ATOM 447 CA ILE A 181 -2.911 -1.457 -3.623 1.00 0.00 C ATOM 448 C ILE A 181 -3.942 -0.402 -3.238 1.00 0.00 C ATOM 449 O ILE A 181 -3.775 0.780 -3.536 1.00 0.00 O ATOM 450 CB ILE A 181 -1.790 -1.474 -2.564 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.669 -2.424 -2.988 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.347 -1.877 -1.207 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.717 -1.893 -2.692 1.00 0.00 C ATOM 0 H ILE A 181 -1.589 -0.569 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.392 -2.435 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.376 -0.469 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.800 -3.378 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.754 -2.619 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.543 -1.884 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.112 -1.164 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.785 -2.873 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.462 -2.618 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.868 -0.953 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.821 -1.724 -1.620 1.00 0.00 H new ATOM 465 N THR A 182 -5.007 -0.838 -2.571 1.00 0.00 N ATOM 466 CA THR A 182 -6.064 0.069 -2.142 1.00 0.00 C ATOM 467 C THR A 182 -5.735 0.666 -0.777 1.00 0.00 C ATOM 468 O THR A 182 -5.913 0.017 0.254 1.00 0.00 O ATOM 469 CB THR A 182 -7.403 -0.665 -2.082 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.471 -1.666 -3.081 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.596 0.249 -2.269 1.00 0.00 C ATOM 0 H THR A 182 -5.160 -1.814 -2.317 1.00 0.00 H new ATOM 0 HA THR A 182 -6.138 0.878 -2.869 1.00 0.00 H new ATOM 0 HB THR A 182 -7.450 -1.099 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 182 -6.994 -2.466 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.514 -0.336 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.601 1.006 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.532 0.736 -3.242 1.00 0.00 H new ATOM 479 N LEU A 183 -5.249 1.902 -0.780 1.00 0.00 N ATOM 480 CA LEU A 183 -4.887 2.587 0.458 1.00 0.00 C ATOM 481 C LEU A 183 -6.024 2.537 1.476 1.00 0.00 C ATOM 482 O LEU A 183 -7.141 2.970 1.196 1.00 0.00 O ATOM 483 CB LEU A 183 -4.513 4.042 0.170 1.00 0.00 C ATOM 484 CG LEU A 183 -3.916 4.800 1.357 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.621 4.143 1.816 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.677 6.255 0.990 1.00 0.00 C ATOM 0 H LEU A 183 -5.096 2.451 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 183 -4.027 2.070 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.798 4.062 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.404 4.571 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.627 4.765 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.212 4.697 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.822 3.115 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.901 4.146 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.252 6.781 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.985 6.309 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.623 6.720 0.711 1.00 0.00 H new ATOM 498 N ILE A 184 -5.724 2.012 2.658 1.00 0.00 N ATOM 499 CA ILE A 184 -6.714 1.909 3.723 1.00 0.00 C ATOM 500 C ILE A 184 -6.707 3.167 4.587 1.00 0.00 C ATOM 501 O ILE A 184 -7.760 3.653 5.004 1.00 0.00 O ATOM 502 CB ILE A 184 -6.452 0.685 4.622 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.344 -0.588 3.783 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.556 0.543 5.662 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.645 -1.723 4.501 1.00 0.00 C ATOM 0 H ILE A 184 -4.802 1.651 2.903 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.687 1.794 3.246 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.504 0.837 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.345 -0.911 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.805 -0.363 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.356 -0.326 6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.588 1.438 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.515 0.415 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.603 -2.595 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.632 -1.418 4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.196 -1.974 5.407 1.00 0.00 H new ATOM 517 N ASN A 185 -5.513 3.689 4.851 1.00 0.00 N ATOM 518 CA ASN A 185 -5.364 4.890 5.665 1.00 0.00 C ATOM 519 C ASN A 185 -3.902 5.320 5.734 1.00 0.00 C ATOM 520 O ASN A 185 -3.013 4.606 5.271 1.00 0.00 O ATOM 521 CB ASN A 185 -5.907 4.649 7.075 1.00 0.00 C ATOM 522 CG ASN A 185 -5.436 3.333 7.661 1.00 0.00 C ATOM 523 OD1 ASN A 185 -6.213 2.390 7.807 1.00 0.00 O ATOM 524 ND2 ASN A 185 -4.155 3.263 8.001 1.00 0.00 N ATOM 0 H ASN A 185 -4.634 3.298 4.512 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.938 5.690 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.594 5.466 7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.997 4.662 7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -3.780 2.403 8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -3.546 4.069 7.863 1.00 0.00 H new ATOM 531 N LYS A 186 -3.663 6.492 6.314 1.00 0.00 N ATOM 532 CA LYS A 186 -2.309 7.018 6.444 1.00 0.00 C ATOM 533 C LYS A 186 -2.006 7.394 7.891 1.00 0.00 C ATOM 534 O LYS A 186 -1.656 8.535 8.188 1.00 0.00 O ATOM 535 CB LYS A 186 -2.127 8.239 5.539 1.00 0.00 C ATOM 536 CG LYS A 186 -1.907 7.889 4.080 1.00 0.00 C ATOM 537 CD LYS A 186 -2.086 9.101 3.181 1.00 0.00 C ATOM 538 CE LYS A 186 -3.533 9.565 3.151 1.00 0.00 C ATOM 539 NZ LYS A 186 -3.834 10.365 1.931 1.00 0.00 N ATOM 0 H LYS A 186 -4.389 7.095 6.701 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.612 6.238 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -3.008 8.876 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.278 8.821 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.904 7.484 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.607 7.108 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -1.450 9.913 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.760 8.856 2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -4.193 8.698 3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.741 10.163 4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -4.750 10.844 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -3.087 11.075 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -3.875 9.735 1.104 1.00 0.00 H new ATOM 553 N ASP A 187 -2.141 6.423 8.789 1.00 0.00 N ATOM 554 CA ASP A 187 -1.879 6.654 10.205 1.00 0.00 C ATOM 555 C ASP A 187 -0.438 7.108 10.430 1.00 0.00 C ATOM 556 O ASP A 187 -0.125 7.728 11.444 1.00 0.00 O ATOM 557 CB ASP A 187 -2.156 5.383 11.010 1.00 0.00 C ATOM 558 CG ASP A 187 -3.628 5.215 11.335 1.00 0.00 C ATOM 559 OD1 ASP A 187 -4.283 6.227 11.659 1.00 0.00 O ATOM 560 OD2 ASP A 187 -4.124 4.071 11.265 1.00 0.00 O ATOM 0 H ASP A 187 -2.429 5.471 8.562 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.546 7.446 10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.810 4.516 10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.583 5.411 11.937 1.00 0.00 H new ATOM 565 N ASP A 188 0.435 6.796 9.475 1.00 0.00 N ATOM 566 CA ASP A 188 1.840 7.175 9.571 1.00 0.00 C ATOM 567 C ASP A 188 2.323 7.798 8.261 1.00 0.00 C ATOM 568 O ASP A 188 2.328 7.138 7.223 1.00 0.00 O ATOM 569 CB ASP A 188 2.694 5.953 9.912 1.00 0.00 C ATOM 570 CG ASP A 188 3.935 6.318 10.703 1.00 0.00 C ATOM 571 OD1 ASP A 188 3.804 6.598 11.914 1.00 0.00 O ATOM 572 OD2 ASP A 188 5.036 6.322 10.114 1.00 0.00 O ATOM 0 H ASP A 188 0.193 6.282 8.627 1.00 0.00 H new ATOM 0 HA ASP A 188 1.941 7.915 10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.097 5.244 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.988 5.450 8.991 1.00 0.00 H new ATOM 577 N PRO A 189 2.735 9.080 8.290 1.00 0.00 N ATOM 578 CA PRO A 189 3.217 9.789 7.101 1.00 0.00 C ATOM 579 C PRO A 189 4.097 8.923 6.200 1.00 0.00 C ATOM 580 O PRO A 189 4.133 9.118 4.985 1.00 0.00 O ATOM 581 CB PRO A 189 4.024 10.936 7.699 1.00 0.00 C ATOM 582 CG PRO A 189 3.331 11.247 8.979 1.00 0.00 C ATOM 583 CD PRO A 189 2.765 9.945 9.487 1.00 0.00 C ATOM 0 HA PRO A 189 2.398 10.103 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.061 10.646 7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 189 4.039 11.800 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 189 4.025 11.676 9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 189 2.539 11.980 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.388 9.518 10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 189 1.769 10.080 9.908 1.00 0.00 H new ATOM 591 N ASN A 190 4.805 7.971 6.799 1.00 0.00 N ATOM 592 CA ASN A 190 5.684 7.086 6.044 1.00 0.00 C ATOM 593 C ASN A 190 5.025 5.735 5.801 1.00 0.00 C ATOM 594 O ASN A 190 5.018 5.228 4.681 1.00 0.00 O ATOM 595 CB ASN A 190 7.003 6.883 6.785 1.00 0.00 C ATOM 596 CG ASN A 190 8.016 7.956 6.458 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.368 8.778 7.303 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.491 7.950 5.219 1.00 0.00 N ATOM 0 H ASN A 190 4.787 7.793 7.803 1.00 0.00 H new ATOM 0 HA ASN A 190 5.880 7.558 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.817 6.878 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.415 5.907 6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.178 8.647 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.169 7.248 4.553 1.00 0.00 H new ATOM 605 N TRP A 191 4.489 5.156 6.864 1.00 0.00 N ATOM 606 CA TRP A 191 3.841 3.854 6.778 1.00 0.00 C ATOM 607 C TRP A 191 2.357 3.999 6.462 1.00 0.00 C ATOM 608 O TRP A 191 1.569 4.422 7.309 1.00 0.00 O ATOM 609 CB TRP A 191 4.034 3.086 8.084 1.00 0.00 C ATOM 610 CG TRP A 191 5.367 2.412 8.180 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.568 3.006 8.446 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.639 1.017 8.005 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.569 2.066 8.448 1.00 0.00 N ATOM 614 CE2 TRP A 191 7.025 0.837 8.181 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.846 -0.098 7.718 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.631 -0.412 8.077 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.451 -1.337 7.617 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.831 -1.487 7.795 1.00 0.00 C ATOM 0 H TRP A 191 4.489 5.566 7.798 1.00 0.00 H new ATOM 0 HA TRP A 191 4.304 3.295 5.965 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.920 3.773 8.922 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.248 2.337 8.177 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.710 4.061 8.628 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.557 2.252 8.620 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.780 0.007 7.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.696 -0.529 8.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.848 -2.205 7.397 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.273 -2.469 7.708 1.00 0.00 H new ATOM 629 N TRP A 192 1.985 3.643 5.238 1.00 0.00 N ATOM 630 CA TRP A 192 0.598 3.729 4.803 1.00 0.00 C ATOM 631 C TRP A 192 -0.045 2.349 4.756 1.00 0.00 C ATOM 632 O TRP A 192 0.595 1.369 4.376 1.00 0.00 O ATOM 633 CB TRP A 192 0.516 4.385 3.422 1.00 0.00 C ATOM 634 CG TRP A 192 0.879 5.839 3.425 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.347 6.567 4.483 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.805 6.745 2.318 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.568 7.866 4.100 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.243 8.003 2.776 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.413 6.614 0.983 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.298 9.120 1.948 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.469 7.724 0.161 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.908 8.962 0.645 1.00 0.00 C ATOM 0 H TRP A 192 2.627 3.291 4.528 1.00 0.00 H new ATOM 0 HA TRP A 192 0.055 4.340 5.525 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.179 3.855 2.738 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.497 4.273 3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.518 6.177 5.475 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.918 8.610 4.704 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.073 5.663 0.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.636 10.076 2.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.169 7.635 -0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.940 9.810 -0.023 1.00 0.00 H new ATOM 653 N GLU A 193 -1.315 2.280 5.137 1.00 0.00 N ATOM 654 CA GLU A 193 -2.046 1.021 5.130 1.00 0.00 C ATOM 655 C GLU A 193 -2.725 0.813 3.782 1.00 0.00 C ATOM 656 O GLU A 193 -3.161 1.773 3.145 1.00 0.00 O ATOM 657 CB GLU A 193 -3.084 1.001 6.253 1.00 0.00 C ATOM 658 CG GLU A 193 -3.606 -0.391 6.574 1.00 0.00 C ATOM 659 CD GLU A 193 -3.291 -0.819 7.995 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.251 0.056 8.885 1.00 0.00 O ATOM 661 OE2 GLU A 193 -3.081 -2.032 8.216 1.00 0.00 O ATOM 0 H GLU A 193 -1.859 3.082 5.455 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.339 0.208 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.643 1.431 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.922 1.639 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.685 -0.414 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.171 -1.108 5.878 1.00 0.00 H new ATOM 668 N GLY A 194 -2.806 -0.438 3.342 1.00 0.00 N ATOM 669 CA GLY A 194 -3.429 -0.724 2.063 1.00 0.00 C ATOM 670 C GLY A 194 -4.083 -2.089 2.019 1.00 0.00 C ATOM 671 O GLY A 194 -3.751 -2.971 2.808 1.00 0.00 O ATOM 0 H GLY A 194 -2.454 -1.254 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.178 0.039 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.677 -0.661 1.276 1.00 0.00 H new ATOM 675 N GLN A 195 -5.019 -2.259 1.091 1.00 0.00 N ATOM 676 CA GLN A 195 -5.726 -3.523 0.940 1.00 0.00 C ATOM 677 C GLN A 195 -5.584 -4.069 -0.475 1.00 0.00 C ATOM 678 O GLN A 195 -6.014 -3.435 -1.441 1.00 0.00 O ATOM 679 CB GLN A 195 -7.201 -3.348 1.276 1.00 0.00 C ATOM 680 CG GLN A 195 -7.876 -4.628 1.744 1.00 0.00 C ATOM 681 CD GLN A 195 -9.198 -4.369 2.442 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.303 -3.481 3.287 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.215 -5.148 2.088 1.00 0.00 N ATOM 0 H GLN A 195 -5.305 -1.535 0.432 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.280 -4.238 1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.300 -2.590 2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.723 -2.973 0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -8.044 -5.280 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.209 -5.159 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -10.081 -5.872 1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -11.129 -5.022 2.522 1.00 0.00 H new ATOM 692 N LEU A 196 -4.985 -5.247 -0.591 1.00 0.00 N ATOM 693 CA LEU A 196 -4.791 -5.880 -1.889 1.00 0.00 C ATOM 694 C LEU A 196 -5.797 -7.008 -2.089 1.00 0.00 C ATOM 695 O LEU A 196 -5.597 -8.123 -1.606 1.00 0.00 O ATOM 696 CB LEU A 196 -3.363 -6.416 -2.015 1.00 0.00 C ATOM 697 CG LEU A 196 -2.442 -5.589 -2.912 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.035 -6.166 -2.911 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.995 -5.529 -4.329 1.00 0.00 C ATOM 0 H LEU A 196 -4.625 -5.784 0.198 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.951 -5.130 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.922 -6.472 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.405 -7.434 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.395 -4.574 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.394 -5.564 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.639 -6.158 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.062 -7.191 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.328 -4.937 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.071 -6.539 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -3.983 -5.069 -4.315 1.00 0.00 H new ATOM 711 N ASN A 197 -6.883 -6.708 -2.799 1.00 0.00 N ATOM 712 CA ASN A 197 -7.934 -7.688 -3.066 1.00 0.00 C ATOM 713 C ASN A 197 -8.855 -7.851 -1.860 1.00 0.00 C ATOM 714 O ASN A 197 -10.070 -7.686 -1.967 1.00 0.00 O ATOM 715 CB ASN A 197 -7.335 -9.042 -3.453 1.00 0.00 C ATOM 716 CG ASN A 197 -8.130 -9.738 -4.542 1.00 0.00 C ATOM 717 OD1 ASN A 197 -9.341 -9.551 -4.657 1.00 0.00 O ATOM 718 ND2 ASN A 197 -7.450 -10.544 -5.348 1.00 0.00 N ATOM 0 H ASN A 197 -7.059 -5.788 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.524 -7.315 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -6.309 -8.898 -3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -7.293 -9.683 -2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -7.931 -11.038 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -6.446 -10.669 -5.216 1.00 0.00 H new ATOM 725 N ASN A 198 -8.267 -8.175 -0.714 1.00 0.00 N ATOM 726 CA ASN A 198 -9.039 -8.362 0.512 1.00 0.00 C ATOM 727 C ASN A 198 -8.159 -8.221 1.751 1.00 0.00 C ATOM 728 O ASN A 198 -8.595 -7.693 2.774 1.00 0.00 O ATOM 729 CB ASN A 198 -9.713 -9.734 0.506 1.00 0.00 C ATOM 730 CG ASN A 198 -8.724 -10.867 0.307 1.00 0.00 C ATOM 731 OD1 ASN A 198 -7.845 -10.793 -0.549 1.00 0.00 O ATOM 732 ND2 ASN A 198 -8.863 -11.921 1.104 1.00 0.00 N ATOM 0 H ASN A 198 -7.262 -8.314 -0.607 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.802 -7.584 0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -10.242 -9.879 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -10.460 -9.765 -0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -8.225 -12.712 1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -9.608 -11.939 1.801 1.00 0.00 H new ATOM 739 N ARG A 199 -6.924 -8.702 1.658 1.00 0.00 N ATOM 740 CA ARG A 199 -5.992 -8.636 2.773 1.00 0.00 C ATOM 741 C ARG A 199 -5.552 -7.199 3.044 1.00 0.00 C ATOM 742 O ARG A 199 -5.346 -6.414 2.118 1.00 0.00 O ATOM 743 CB ARG A 199 -4.771 -9.508 2.482 1.00 0.00 C ATOM 744 CG ARG A 199 -3.952 -9.033 1.293 1.00 0.00 C ATOM 745 CD ARG A 199 -2.704 -9.878 1.098 1.00 0.00 C ATOM 746 NE ARG A 199 -2.005 -10.126 2.358 1.00 0.00 N ATOM 747 CZ ARG A 199 -2.268 -11.151 3.167 1.00 0.00 C ATOM 748 NH1 ARG A 199 -3.216 -12.028 2.859 1.00 0.00 N ATOM 749 NH2 ARG A 199 -1.580 -11.300 4.292 1.00 0.00 N ATOM 0 H ARG A 199 -6.546 -9.142 0.819 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.501 -9.007 3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -4.133 -9.531 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -5.101 -10.531 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -4.563 -9.072 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.667 -7.991 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -2.979 -10.830 0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -2.031 -9.375 0.404 1.00 0.00 H new ATOM 0 HE ARG A 199 -1.271 -9.474 2.635 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -3.750 -11.920 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -3.410 -12.810 3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -0.851 -10.630 4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -1.780 -12.084 4.912 1.00 0.00 H new ATOM 763 N ARG A 200 -5.407 -6.867 4.325 1.00 0.00 N ATOM 764 CA ARG A 200 -4.989 -5.534 4.734 1.00 0.00 C ATOM 765 C ARG A 200 -3.572 -5.568 5.297 1.00 0.00 C ATOM 766 O ARG A 200 -3.068 -6.632 5.657 1.00 0.00 O ATOM 767 CB ARG A 200 -5.954 -4.983 5.785 1.00 0.00 C ATOM 768 CG ARG A 200 -7.179 -4.305 5.192 1.00 0.00 C ATOM 769 CD ARG A 200 -8.434 -5.140 5.399 1.00 0.00 C ATOM 770 NE ARG A 200 -9.594 -4.313 5.727 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.829 -3.811 6.937 1.00 0.00 C ATOM 772 NH1 ARG A 200 -8.988 -4.052 7.936 1.00 0.00 N ATOM 773 NH2 ARG A 200 -10.907 -3.070 7.148 1.00 0.00 N ATOM 0 H ARG A 200 -5.575 -7.509 5.099 1.00 0.00 H new ATOM 0 HA ARG A 200 -5.001 -4.883 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.278 -5.799 6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.423 -4.269 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.312 -3.326 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -7.024 -4.138 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.641 -5.713 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.263 -5.859 6.200 1.00 0.00 H new ATOM 0 HE ARG A 200 -10.263 -4.109 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -8.158 -4.624 7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -9.172 -3.665 8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -11.556 -2.885 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -11.088 -2.685 8.075 1.00 0.00 H new ATOM 787 N GLY A 201 -2.930 -4.405 5.372 1.00 0.00 N ATOM 788 CA GLY A 201 -1.577 -4.351 5.894 1.00 0.00 C ATOM 789 C GLY A 201 -0.950 -2.977 5.767 1.00 0.00 C ATOM 790 O GLY A 201 -1.401 -2.151 4.974 1.00 0.00 O ATOM 0 H GLY A 201 -3.319 -3.507 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.586 -4.645 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.960 -5.077 5.365 1.00 0.00 H new ATOM 794 N ILE A 202 0.102 -2.736 6.544 1.00 0.00 N ATOM 795 CA ILE A 202 0.800 -1.456 6.507 1.00 0.00 C ATOM 796 C ILE A 202 2.163 -1.601 5.846 1.00 0.00 C ATOM 797 O ILE A 202 2.757 -2.679 5.853 1.00 0.00 O ATOM 798 CB ILE A 202 0.989 -0.871 7.920 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.724 -1.867 8.820 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.356 -0.493 8.522 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.837 -1.241 9.631 1.00 0.00 C ATOM 0 H ILE A 202 0.489 -3.409 7.206 1.00 0.00 H new ATOM 0 HA ILE A 202 0.180 -0.775 5.924 1.00 0.00 H new ATOM 0 HB ILE A 202 1.596 0.031 7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 202 1.007 -2.329 9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.139 -2.664 8.203 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.205 -0.081 9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.840 0.253 7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -0.988 -1.379 8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.314 -2.005 10.245 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.575 -0.803 8.959 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.425 -0.463 10.274 1.00 0.00 H new ATOM 813 N PHE A 203 2.654 -0.511 5.269 1.00 0.00 N ATOM 814 CA PHE A 203 3.949 -0.526 4.598 1.00 0.00 C ATOM 815 C PHE A 203 4.392 0.889 4.238 1.00 0.00 C ATOM 816 O PHE A 203 3.561 1.767 4.006 1.00 0.00 O ATOM 817 CB PHE A 203 3.876 -1.381 3.330 1.00 0.00 C ATOM 818 CG PHE A 203 3.033 -0.770 2.243 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.515 0.279 1.475 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.754 -1.242 1.998 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.734 0.842 0.482 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.970 -0.684 1.008 1.00 0.00 C ATOM 823 CZ PHE A 203 1.460 0.358 0.248 1.00 0.00 C ATOM 0 H PHE A 203 2.178 0.391 5.252 1.00 0.00 H new ATOM 0 HA PHE A 203 4.680 -0.956 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.885 -1.541 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.472 -2.361 3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.510 0.660 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.365 -2.058 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.119 1.659 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.025 -1.063 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.850 0.795 -0.528 1.00 0.00 H new ATOM 833 N PRO A 204 5.712 1.126 4.165 1.00 0.00 N ATOM 834 CA PRO A 204 6.249 2.438 3.809 1.00 0.00 C ATOM 835 C PRO A 204 5.889 2.804 2.374 1.00 0.00 C ATOM 836 O PRO A 204 6.440 2.242 1.427 1.00 0.00 O ATOM 837 CB PRO A 204 7.770 2.271 3.955 1.00 0.00 C ATOM 838 CG PRO A 204 7.958 1.009 4.731 1.00 0.00 C ATOM 839 CD PRO A 204 6.777 0.142 4.404 1.00 0.00 C ATOM 0 HA PRO A 204 5.848 3.234 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.254 2.208 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.210 3.121 4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.891 0.517 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.008 1.213 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.960 -0.478 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.529 -0.532 5.224 1.00 0.00 H new ATOM 847 N SER A 205 4.957 3.739 2.213 1.00 0.00 N ATOM 848 CA SER A 205 4.527 4.159 0.884 1.00 0.00 C ATOM 849 C SER A 205 5.723 4.525 0.012 1.00 0.00 C ATOM 850 O SER A 205 5.646 4.467 -1.215 1.00 0.00 O ATOM 851 CB SER A 205 3.563 5.338 0.972 1.00 0.00 C ATOM 852 OG SER A 205 2.565 5.255 -0.030 1.00 0.00 O ATOM 0 H SER A 205 4.488 4.218 2.982 1.00 0.00 H new ATOM 0 HA SER A 205 4.008 3.318 0.424 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.094 5.356 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 205 4.115 6.272 0.864 1.00 0.00 H new ATOM 0 HG SER A 205 1.978 6.038 0.027 1.00 0.00 H new ATOM 858 N ASN A 206 6.836 4.880 0.648 1.00 0.00 N ATOM 859 CA ASN A 206 8.048 5.227 -0.083 1.00 0.00 C ATOM 860 C ASN A 206 8.399 4.132 -1.087 1.00 0.00 C ATOM 861 O ASN A 206 9.109 4.373 -2.064 1.00 0.00 O ATOM 862 CB ASN A 206 9.208 5.446 0.887 1.00 0.00 C ATOM 863 CG ASN A 206 9.755 6.852 0.835 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.277 7.695 0.078 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.767 7.111 1.649 1.00 0.00 N ATOM 0 H ASN A 206 6.923 4.934 1.663 1.00 0.00 H new ATOM 0 HA ASN A 206 7.868 6.153 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 206 8.874 5.228 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 206 10.007 4.741 0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.183 8.042 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.130 6.379 2.260 1.00 0.00 H new ATOM 872 N TYR A 207 7.886 2.925 -0.842 1.00 0.00 N ATOM 873 CA TYR A 207 8.133 1.791 -1.723 1.00 0.00 C ATOM 874 C TYR A 207 7.021 1.660 -2.758 1.00 0.00 C ATOM 875 O TYR A 207 6.788 0.573 -3.290 1.00 0.00 O ATOM 876 CB TYR A 207 8.211 0.508 -0.902 1.00 0.00 C ATOM 877 CG TYR A 207 9.613 -0.041 -0.758 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.620 0.716 -0.172 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.928 -1.316 -1.209 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.902 0.218 -0.041 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.208 -1.821 -1.081 1.00 0.00 C ATOM 882 CZ TYR A 207 12.191 -1.051 -0.496 1.00 0.00 C ATOM 883 OH TYR A 207 13.466 -1.551 -0.368 1.00 0.00 O ATOM 0 H TYR A 207 7.296 2.711 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 207 9.078 1.957 -2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.801 0.697 0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.580 -0.249 -1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.397 1.710 0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.161 -1.922 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.674 0.820 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.437 -2.814 -1.438 1.00 0.00 H new ATOM 0 HH TYR A 207 13.500 -2.458 -0.738 1.00 0.00 H new ATOM 893 N VAL A 208 6.324 2.757 -3.028 1.00 0.00 N ATOM 894 CA VAL A 208 5.229 2.732 -3.983 1.00 0.00 C ATOM 895 C VAL A 208 5.106 4.058 -4.734 1.00 0.00 C ATOM 896 O VAL A 208 6.000 4.901 -4.679 1.00 0.00 O ATOM 897 CB VAL A 208 3.896 2.404 -3.273 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.072 1.221 -2.333 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.377 3.603 -2.496 1.00 0.00 C ATOM 0 H VAL A 208 6.497 3.667 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 208 5.449 1.950 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 208 3.166 2.148 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.124 1.003 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.394 0.349 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.824 1.462 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.438 3.341 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 208 4.109 3.893 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 208 3.211 4.435 -3.180 1.00 0.00 H new ATOM 909 N ALA A 209 3.989 4.229 -5.433 1.00 0.00 N ATOM 910 CA ALA A 209 3.737 5.445 -6.195 1.00 0.00 C ATOM 911 C ALA A 209 2.250 5.591 -6.509 1.00 0.00 C ATOM 912 O ALA A 209 1.700 4.833 -7.307 1.00 0.00 O ATOM 913 CB ALA A 209 4.551 5.439 -7.482 1.00 0.00 C ATOM 0 H ALA A 209 3.241 3.537 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 209 4.043 6.298 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.353 6.353 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.613 5.384 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.271 4.576 -8.086 1.00 0.00 H new ATOM 919 N PRO A 210 1.571 6.569 -5.879 1.00 0.00 N ATOM 920 CA PRO A 210 0.138 6.801 -6.097 1.00 0.00 C ATOM 921 C PRO A 210 -0.230 6.836 -7.577 1.00 0.00 C ATOM 922 O PRO A 210 0.171 7.742 -8.308 1.00 0.00 O ATOM 923 CB PRO A 210 -0.094 8.167 -5.451 1.00 0.00 C ATOM 924 CG PRO A 210 0.932 8.245 -4.375 1.00 0.00 C ATOM 925 CD PRO A 210 2.140 7.521 -4.906 1.00 0.00 C ATOM 0 HA PRO A 210 -0.475 6.004 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 210 0.026 8.974 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.102 8.249 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 210 1.171 9.282 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.571 7.782 -3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.843 8.207 -5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.681 7.007 -4.112 1.00 0.00 H new ATOM 933 N TYR A 211 -0.998 5.843 -8.011 1.00 0.00 N ATOM 934 CA TYR A 211 -1.424 5.751 -9.401 1.00 0.00 C ATOM 935 C TYR A 211 -2.789 6.408 -9.595 1.00 0.00 C ATOM 936 O TYR A 211 -2.908 7.427 -10.276 1.00 0.00 O ATOM 937 CB TYR A 211 -1.480 4.287 -9.841 1.00 0.00 C ATOM 938 CG TYR A 211 -1.949 4.095 -11.268 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.420 4.858 -12.301 1.00 0.00 C ATOM 940 CD2 TYR A 211 -2.919 3.152 -11.578 1.00 0.00 C ATOM 941 CE1 TYR A 211 -1.845 4.686 -13.605 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.349 2.973 -12.878 1.00 0.00 C ATOM 943 CZ TYR A 211 -2.810 3.742 -13.888 1.00 0.00 C ATOM 944 OH TYR A 211 -3.236 3.567 -15.185 1.00 0.00 O ATOM 0 H TYR A 211 -1.339 5.088 -7.417 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.696 6.280 -10.016 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.489 3.846 -9.732 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.147 3.742 -9.173 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.664 5.598 -12.082 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.344 2.548 -10.790 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.424 5.287 -14.397 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.104 2.234 -13.103 1.00 0.00 H new ATOM 0 HH TYR A 211 -3.917 2.863 -15.213 1.00 0.00 H new ATOM 954 N ASN A 212 -3.814 5.816 -8.992 1.00 0.00 N ATOM 955 CA ASN A 212 -5.170 6.340 -9.097 1.00 0.00 C ATOM 956 C ASN A 212 -5.638 6.332 -10.547 1.00 0.00 C ATOM 957 O ASN A 212 -5.705 7.376 -11.197 1.00 0.00 O ATOM 958 CB ASN A 212 -5.233 7.760 -8.528 1.00 0.00 C ATOM 959 CG ASN A 212 -6.613 8.379 -8.651 1.00 0.00 C ATOM 960 OD1 ASN A 212 -7.538 8.005 -7.933 1.00 0.00 O ATOM 961 ND2 ASN A 212 -6.755 9.329 -9.567 1.00 0.00 N ATOM 0 H ASN A 212 -3.731 4.972 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 212 -5.834 5.698 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -4.941 7.740 -7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -4.510 8.388 -9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -7.660 9.781 -9.697 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -5.959 9.607 -10.141 1.00 0.00 H new ATOM 968 N SER A 213 -5.960 5.144 -11.052 1.00 0.00 N ATOM 969 CA SER A 213 -6.419 4.996 -12.426 1.00 0.00 C ATOM 970 C SER A 213 -7.670 5.835 -12.679 1.00 0.00 C ATOM 971 O SER A 213 -8.218 6.439 -11.757 1.00 0.00 O ATOM 972 CB SER A 213 -6.706 3.526 -12.734 1.00 0.00 C ATOM 973 OG SER A 213 -7.856 3.075 -12.039 1.00 0.00 O ATOM 0 H SER A 213 -5.911 4.270 -10.528 1.00 0.00 H new ATOM 0 HA SER A 213 -5.627 5.351 -13.086 1.00 0.00 H new ATOM 0 HB2 SER A 213 -6.852 3.398 -13.807 1.00 0.00 H new ATOM 0 HB3 SER A 213 -5.846 2.918 -12.454 1.00 0.00 H new ATOM 0 HG SER A 213 -8.020 2.133 -12.254 1.00 0.00 H new ATOM 979 N ASN A 214 -8.111 5.866 -13.930 1.00 0.00 N ATOM 980 CA ASN A 214 -9.294 6.628 -14.306 1.00 0.00 C ATOM 981 C ASN A 214 -10.557 5.989 -13.737 1.00 0.00 C ATOM 982 O ASN A 214 -11.614 6.653 -13.757 1.00 0.00 O ATOM 983 CB ASN A 214 -9.394 6.724 -15.827 1.00 0.00 C ATOM 984 CG ASN A 214 -9.236 5.377 -16.506 1.00 0.00 C ATOM 985 OD1 ASN A 214 -9.737 4.363 -16.022 1.00 0.00 O ATOM 986 ND2 ASN A 214 -8.535 5.361 -17.634 1.00 0.00 N ATOM 987 OXT ASN A 214 -10.477 4.829 -13.280 1.00 0.00 O ATOM 0 H ASN A 214 -7.666 5.371 -14.703 1.00 0.00 H new ATOM 0 HA ASN A 214 -9.201 7.631 -13.890 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -10.359 7.153 -16.098 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -8.627 7.405 -16.196 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -8.395 4.484 -18.135 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -8.137 6.226 -18.000 1.00 0.00 H new TER 994 ASN A 214