USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 419 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 171 CYS SG : rot -142:sc= 0.362 USER MOD Set 1.2: A 175 HIS :FLIP no HE2:sc= 0.00647 F(o=-0.33,f=0.37) USER MOD Set 2.1: A 127 CYS SG : rot 141:sc= -0.598 USER MOD Set 2.2: A 132 CYS SG : rot -59:sc= -0.0794 USER MOD Set 2.3: A 149 CYS SG : rot 180:sc= -0.78 USER MOD Set 2.4: A 152 HIS : no HD1:sc= -3.44 X(o=-4.9,f=-5.2!) USER MOD Set 3.1: A 143 HIS : no HD1:sc= -1.88 X(o=-1.5,f=-0.96!) USER MOD Set 3.2: A 153 SER OG : rot 85:sc= 0.434 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -4.4 K(o=-4.4,f=-7.6!) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot -62:sc=-0.00761 USER MOD Single : A 146 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.2) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl -149:sc= 0 (180deg=-1.12) USER MOD Single : A 165 GLN : amide:sc= -2.25 K(o=-2.3,f=-6.9!) USER MOD Single : A 168 CYS SG : rot 180:sc= -0.0379 USER MOD Single : A 169 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.2!) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 SER OG : rot -61:sc= 0.912 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.779 14.270 -5.995 1.00 0.00 N ATOM 2 CA ALA A 124 1.696 13.797 -5.095 1.00 0.00 C ATOM 3 C ALA A 124 0.992 12.578 -5.680 1.00 0.00 C ATOM 4 O ALA A 124 0.510 12.611 -6.812 1.00 0.00 O ATOM 5 CB ALA A 124 0.695 14.914 -4.842 1.00 0.00 C ATOM 0 HA ALA A 124 2.146 13.505 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.093 14.553 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.202 15.758 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.258 15.232 -5.788 1.00 0.00 H new ATOM 11 N ILE A 125 0.936 11.503 -4.900 1.00 0.00 N ATOM 12 CA ILE A 125 0.291 10.272 -5.340 1.00 0.00 C ATOM 13 C ILE A 125 -0.642 9.728 -4.263 1.00 0.00 C ATOM 14 O ILE A 125 -0.221 9.467 -3.138 1.00 0.00 O ATOM 15 CB ILE A 125 1.327 9.191 -5.699 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.406 9.771 -6.617 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.646 8.002 -6.360 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.587 8.847 -6.821 1.00 0.00 C ATOM 0 H ILE A 125 1.330 11.460 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.288 10.518 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 125 1.803 8.848 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.962 10.000 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.760 10.713 -6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.392 7.247 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.088 7.576 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.145 8.330 -7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.311 9.323 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.056 8.638 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.246 7.914 -7.269 1.00 0.00 H new ATOM 30 N CYS A 126 -1.912 9.560 -4.618 1.00 0.00 N ATOM 31 CA CYS A 126 -2.905 9.047 -3.680 1.00 0.00 C ATOM 32 C CYS A 126 -2.758 7.540 -3.499 1.00 0.00 C ATOM 33 O CYS A 126 -2.416 6.822 -4.438 1.00 0.00 O ATOM 34 CB CYS A 126 -4.317 9.377 -4.170 1.00 0.00 C ATOM 35 SG CYS A 126 -4.774 11.117 -3.985 1.00 0.00 S ATOM 0 H CYS A 126 -2.278 9.771 -5.547 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.739 9.528 -2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.399 9.100 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -5.033 8.764 -3.622 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.983 11.298 -4.428 1.00 0.00 H new ATOM 41 N CYS A 127 -3.018 7.068 -2.283 1.00 0.00 N ATOM 42 CA CYS A 127 -2.915 5.644 -1.976 1.00 0.00 C ATOM 43 C CYS A 127 -3.774 4.816 -2.927 1.00 0.00 C ATOM 44 O CYS A 127 -4.975 5.051 -3.057 1.00 0.00 O ATOM 45 CB CYS A 127 -3.341 5.385 -0.528 1.00 0.00 C ATOM 46 SG CYS A 127 -3.017 3.700 0.046 1.00 0.00 S ATOM 0 H CYS A 127 -3.301 7.650 -1.495 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.875 5.344 -2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.820 6.086 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.407 5.592 -0.431 1.00 0.00 H new ATOM 0 HG CYS A 127 -2.605 3.733 1.279 1.00 0.00 H new ATOM 51 N GLN A 128 -3.150 3.849 -3.590 1.00 0.00 N ATOM 52 CA GLN A 128 -3.856 2.986 -4.530 1.00 0.00 C ATOM 53 C GLN A 128 -5.017 2.267 -3.850 1.00 0.00 C ATOM 54 O GLN A 128 -6.022 1.952 -4.487 1.00 0.00 O ATOM 55 CB GLN A 128 -2.894 1.961 -5.136 1.00 0.00 C ATOM 56 CG GLN A 128 -2.198 1.093 -4.101 1.00 0.00 C ATOM 57 CD GLN A 128 -0.789 0.716 -4.509 1.00 0.00 C ATOM 58 OE1 GLN A 128 0.157 0.872 -3.737 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.639 0.216 -5.730 1.00 0.00 N ATOM 0 H GLN A 128 -2.156 3.643 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.258 3.614 -5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.446 1.320 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.141 2.485 -5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.167 1.623 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.781 0.186 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.450 0.103 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.287 -0.055 -6.060 1.00 0.00 H new ATOM 68 N VAL A 129 -4.873 2.015 -2.553 1.00 0.00 N ATOM 69 CA VAL A 129 -5.911 1.334 -1.788 1.00 0.00 C ATOM 70 C VAL A 129 -7.201 2.144 -1.772 1.00 0.00 C ATOM 71 O VAL A 129 -7.174 3.374 -1.737 1.00 0.00 O ATOM 72 CB VAL A 129 -5.463 1.077 -0.337 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.465 0.185 0.380 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.070 0.463 -0.304 1.00 0.00 C ATOM 0 H VAL A 129 -4.048 2.272 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.090 0.378 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.423 2.033 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.132 0.014 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.441 0.670 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.541 -0.769 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.773 0.290 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.077 -0.484 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.361 1.144 -0.776 1.00 0.00 H new ATOM 84 N ASP A 130 -8.332 1.446 -1.795 1.00 0.00 N ATOM 85 CA ASP A 130 -9.634 2.100 -1.780 1.00 0.00 C ATOM 86 C ASP A 130 -10.011 2.530 -0.368 1.00 0.00 C ATOM 87 O ASP A 130 -9.523 1.970 0.614 1.00 0.00 O ATOM 88 CB ASP A 130 -10.705 1.162 -2.343 1.00 0.00 C ATOM 89 CG ASP A 130 -10.802 1.237 -3.854 1.00 0.00 C ATOM 90 OD1 ASP A 130 -10.035 0.522 -4.535 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.644 2.008 -4.359 1.00 0.00 O ATOM 0 H ASP A 130 -8.372 0.427 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.573 2.990 -2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.479 0.138 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.671 1.415 -1.907 1.00 0.00 H new ATOM 96 N ASN A 131 -10.884 3.527 -0.271 1.00 0.00 N ATOM 97 CA ASN A 131 -11.329 4.033 1.023 1.00 0.00 C ATOM 98 C ASN A 131 -10.155 4.583 1.828 1.00 0.00 C ATOM 99 O ASN A 131 -10.177 4.578 3.058 1.00 0.00 O ATOM 100 CB ASN A 131 -12.030 2.928 1.813 1.00 0.00 C ATOM 101 CG ASN A 131 -13.354 2.527 1.194 1.00 0.00 C ATOM 102 OD1 ASN A 131 -14.317 3.294 1.209 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.412 1.318 0.647 1.00 0.00 N ATOM 0 H ASN A 131 -11.298 4.001 -1.074 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.034 4.845 0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.379 2.056 1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.198 3.266 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.278 0.994 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.590 0.714 0.656 1.00 0.00 H new ATOM 110 N CYS A 132 -9.131 5.060 1.127 1.00 0.00 N ATOM 111 CA CYS A 132 -7.949 5.616 1.779 1.00 0.00 C ATOM 112 C CYS A 132 -7.455 6.856 1.041 1.00 0.00 C ATOM 113 O CYS A 132 -6.510 6.786 0.256 1.00 0.00 O ATOM 114 CB CYS A 132 -6.835 4.571 1.848 1.00 0.00 C ATOM 115 SG CYS A 132 -5.460 5.029 2.928 1.00 0.00 S ATOM 0 H CYS A 132 -9.095 5.073 0.108 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.227 5.904 2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.257 3.628 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.451 4.398 0.843 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.935 6.143 2.513 1.00 0.00 H new ATOM 120 N GLY A 133 -8.099 7.989 1.301 1.00 0.00 N ATOM 121 CA GLY A 133 -7.709 9.228 0.654 1.00 0.00 C ATOM 122 C GLY A 133 -6.482 9.853 1.290 1.00 0.00 C ATOM 123 O GLY A 133 -6.542 10.974 1.797 1.00 0.00 O ATOM 0 H GLY A 133 -8.883 8.071 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.510 9.037 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.538 9.935 0.699 1.00 0.00 H new ATOM 127 N ALA A 134 -5.370 9.128 1.262 1.00 0.00 N ATOM 128 CA ALA A 134 -4.124 9.618 1.840 1.00 0.00 C ATOM 129 C ALA A 134 -3.174 10.114 0.756 1.00 0.00 C ATOM 130 O ALA A 134 -2.805 9.366 -0.149 1.00 0.00 O ATOM 131 CB ALA A 134 -3.461 8.527 2.667 1.00 0.00 C ATOM 0 H ALA A 134 -5.305 8.199 0.845 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.361 10.459 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.532 8.907 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.131 8.222 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.245 7.669 2.031 1.00 0.00 H new ATOM 137 N ASP A 135 -2.782 11.379 0.854 1.00 0.00 N ATOM 138 CA ASP A 135 -1.873 11.975 -0.119 1.00 0.00 C ATOM 139 C ASP A 135 -0.425 11.627 0.206 1.00 0.00 C ATOM 140 O ASP A 135 0.034 11.826 1.332 1.00 0.00 O ATOM 141 CB ASP A 135 -2.051 13.495 -0.151 1.00 0.00 C ATOM 142 CG ASP A 135 -1.541 14.110 -1.439 1.00 0.00 C ATOM 143 OD1 ASP A 135 -1.557 13.413 -2.476 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.123 15.286 -1.410 1.00 0.00 O ATOM 0 H ASP A 135 -3.079 12.012 1.597 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.114 11.568 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.107 13.737 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.523 13.938 0.694 1.00 0.00 H new ATOM 149 N LEU A 136 0.291 11.107 -0.785 1.00 0.00 N ATOM 150 CA LEU A 136 1.688 10.732 -0.605 1.00 0.00 C ATOM 151 C LEU A 136 2.617 11.862 -1.040 1.00 0.00 C ATOM 152 O LEU A 136 3.607 11.634 -1.733 1.00 0.00 O ATOM 153 CB LEU A 136 2.003 9.461 -1.396 1.00 0.00 C ATOM 154 CG LEU A 136 1.116 8.257 -1.070 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.329 7.147 -2.086 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.399 7.755 0.339 1.00 0.00 C ATOM 0 H LEU A 136 -0.074 10.936 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 136 1.853 10.541 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.913 9.682 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.042 9.187 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 136 0.074 8.572 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.690 6.299 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.077 7.512 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.372 6.832 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.760 6.899 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.444 7.456 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.195 8.550 1.056 1.00 0.00 H new ATOM 168 N SER A 137 2.289 13.082 -0.627 1.00 0.00 N ATOM 169 CA SER A 137 3.093 14.248 -0.972 1.00 0.00 C ATOM 170 C SER A 137 4.058 14.598 0.157 1.00 0.00 C ATOM 171 O SER A 137 5.128 15.159 -0.081 1.00 0.00 O ATOM 172 CB SER A 137 2.189 15.445 -1.274 1.00 0.00 C ATOM 173 OG SER A 137 2.953 16.617 -1.501 1.00 0.00 O ATOM 0 H SER A 137 1.472 13.288 -0.053 1.00 0.00 H new ATOM 0 HA SER A 137 3.675 14.006 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.577 15.231 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.506 15.608 -0.440 1.00 0.00 H new ATOM 0 HG SER A 137 2.352 17.367 -1.693 1.00 0.00 H new ATOM 179 N LYS A 138 3.675 14.266 1.385 1.00 0.00 N ATOM 180 CA LYS A 138 4.507 14.547 2.550 1.00 0.00 C ATOM 181 C LYS A 138 5.302 13.313 2.963 1.00 0.00 C ATOM 182 O LYS A 138 5.600 13.121 4.142 1.00 0.00 O ATOM 183 CB LYS A 138 3.641 15.024 3.716 1.00 0.00 C ATOM 184 CG LYS A 138 4.344 16.014 4.630 1.00 0.00 C ATOM 185 CD LYS A 138 3.864 15.884 6.066 1.00 0.00 C ATOM 186 CE LYS A 138 4.906 16.389 7.050 1.00 0.00 C ATOM 187 NZ LYS A 138 4.869 17.872 7.188 1.00 0.00 N ATOM 0 H LYS A 138 2.793 13.801 1.600 1.00 0.00 H new ATOM 0 HA LYS A 138 5.210 15.335 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.736 15.486 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.328 14.160 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.420 15.848 4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.164 17.029 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.939 16.446 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.635 14.840 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.738 15.930 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.897 16.080 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.595 18.176 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.055 18.311 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.931 18.166 7.529 1.00 0.00 H new ATOM 201 N VAL A 139 5.643 12.477 1.986 1.00 0.00 N ATOM 202 CA VAL A 139 6.404 11.262 2.252 1.00 0.00 C ATOM 203 C VAL A 139 7.820 11.369 1.697 1.00 0.00 C ATOM 204 O VAL A 139 8.188 12.380 1.099 1.00 0.00 O ATOM 205 CB VAL A 139 5.720 10.024 1.643 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.484 9.645 2.447 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.363 10.271 0.184 1.00 0.00 C ATOM 0 H VAL A 139 5.404 12.619 1.005 1.00 0.00 H new ATOM 0 HA VAL A 139 6.447 11.148 3.335 1.00 0.00 H new ATOM 0 HB VAL A 139 6.420 9.190 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.015 8.768 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.773 9.419 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.778 10.476 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.881 9.384 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.682 11.120 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.270 10.486 -0.381 1.00 0.00 H new ATOM 217 N LYS A 140 8.610 10.319 1.900 1.00 0.00 N ATOM 218 CA LYS A 140 9.987 10.294 1.420 1.00 0.00 C ATOM 219 C LYS A 140 10.046 9.869 -0.043 1.00 0.00 C ATOM 220 O LYS A 140 10.220 10.698 -0.936 1.00 0.00 O ATOM 221 CB LYS A 140 10.830 9.346 2.276 1.00 0.00 C ATOM 222 CG LYS A 140 11.099 9.868 3.677 1.00 0.00 C ATOM 223 CD LYS A 140 12.409 9.331 4.230 1.00 0.00 C ATOM 224 CE LYS A 140 12.223 7.970 4.884 1.00 0.00 C ATOM 225 NZ LYS A 140 12.395 8.035 6.362 1.00 0.00 N ATOM 0 H LYS A 140 8.320 9.475 2.393 1.00 0.00 H new ATOM 0 HA LYS A 140 10.393 11.302 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.321 8.385 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.781 9.167 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 140 11.129 10.957 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.280 9.582 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.140 9.252 3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 140 12.813 10.034 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 140 11.229 7.588 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.942 7.265 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 12.260 7.088 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 13.352 8.375 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 11.693 8.688 6.765 1.00 0.00 H new ATOM 239 N ASP A 141 9.901 8.571 -0.277 1.00 0.00 N ATOM 240 CA ASP A 141 9.937 8.028 -1.631 1.00 0.00 C ATOM 241 C ASP A 141 9.472 6.575 -1.648 1.00 0.00 C ATOM 242 O ASP A 141 8.726 6.162 -2.535 1.00 0.00 O ATOM 243 CB ASP A 141 11.352 8.129 -2.205 1.00 0.00 C ATOM 244 CG ASP A 141 11.374 7.986 -3.714 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.576 8.671 -4.387 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.190 7.188 -4.224 1.00 0.00 O ATOM 0 H ASP A 141 9.757 7.873 0.453 1.00 0.00 H new ATOM 0 HA ASP A 141 9.258 8.615 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.786 9.089 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.978 7.355 -1.760 1.00 0.00 H new ATOM 251 N TYR A 142 9.919 5.803 -0.662 1.00 0.00 N ATOM 252 CA TYR A 142 9.549 4.395 -0.564 1.00 0.00 C ATOM 253 C TYR A 142 8.032 4.231 -0.508 1.00 0.00 C ATOM 254 O TYR A 142 7.490 3.227 -0.968 1.00 0.00 O ATOM 255 CB TYR A 142 10.186 3.764 0.675 1.00 0.00 C ATOM 256 CG TYR A 142 10.310 2.259 0.594 1.00 0.00 C ATOM 257 CD1 TYR A 142 11.366 1.665 -0.086 1.00 0.00 C ATOM 258 CD2 TYR A 142 9.371 1.432 1.197 1.00 0.00 C ATOM 259 CE1 TYR A 142 11.484 0.291 -0.164 1.00 0.00 C ATOM 260 CE2 TYR A 142 9.481 0.056 1.125 1.00 0.00 C ATOM 261 CZ TYR A 142 10.539 -0.508 0.445 1.00 0.00 C ATOM 262 OH TYR A 142 10.652 -1.879 0.370 1.00 0.00 O ATOM 0 H TYR A 142 10.538 6.129 0.080 1.00 0.00 H new ATOM 0 HA TYR A 142 9.918 3.887 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.177 4.194 0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.592 4.024 1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 142 12.108 2.289 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 142 8.541 1.871 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 142 12.310 -0.154 -0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 142 8.742 -0.573 1.599 1.00 0.00 H new ATOM 0 HH TYR A 142 10.600 -2.161 -0.567 1.00 0.00 H new ATOM 272 N HIS A 143 7.355 5.224 0.060 1.00 0.00 N ATOM 273 CA HIS A 143 5.902 5.190 0.174 1.00 0.00 C ATOM 274 C HIS A 143 5.254 6.141 -0.827 1.00 0.00 C ATOM 275 O HIS A 143 4.190 6.702 -0.565 1.00 0.00 O ATOM 276 CB HIS A 143 5.473 5.557 1.596 1.00 0.00 C ATOM 277 CG HIS A 143 5.911 4.566 2.628 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.414 4.933 3.859 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.922 3.211 2.610 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.713 3.848 4.551 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.423 2.791 3.817 1.00 0.00 N ATOM 0 H HIS A 143 7.789 6.061 0.448 1.00 0.00 H new ATOM 0 HA HIS A 143 5.569 4.176 -0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.881 6.536 1.848 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.387 5.646 1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 143 5.597 2.579 1.797 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.125 3.830 5.549 1.00 0.00 H new ATOM 0 HE2 HIS A 143 6.550 1.819 4.100 1.00 0.00 H new ATOM 289 N ARG A 144 5.903 6.319 -1.972 1.00 0.00 N ATOM 290 CA ARG A 144 5.390 7.202 -3.013 1.00 0.00 C ATOM 291 C ARG A 144 5.287 6.471 -4.347 1.00 0.00 C ATOM 292 O ARG A 144 4.204 6.359 -4.922 1.00 0.00 O ATOM 293 CB ARG A 144 6.292 8.429 -3.159 1.00 0.00 C ATOM 294 CG ARG A 144 5.530 9.711 -3.464 1.00 0.00 C ATOM 295 CD ARG A 144 6.097 10.427 -4.680 1.00 0.00 C ATOM 296 NE ARG A 144 6.341 11.844 -4.418 1.00 0.00 N ATOM 297 CZ ARG A 144 6.858 12.685 -5.311 1.00 0.00 C ATOM 298 NH1 ARG A 144 7.184 12.258 -6.524 1.00 0.00 N ATOM 299 NH2 ARG A 144 7.049 13.957 -4.989 1.00 0.00 N ATOM 0 H ARG A 144 6.786 5.863 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 144 4.391 7.525 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.860 8.564 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.014 8.247 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.479 9.478 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 144 5.572 10.373 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 144 7.029 9.948 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.404 10.327 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 144 6.101 12.210 -3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.039 11.281 -6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 144 7.580 12.907 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 144 6.800 14.290 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 144 7.445 14.602 -5.673 1.00 0.00 H new ATOM 313 N ARG A 145 6.419 5.975 -4.833 1.00 0.00 N ATOM 314 CA ARG A 145 6.457 5.252 -6.100 1.00 0.00 C ATOM 315 C ARG A 145 5.556 4.021 -6.049 1.00 0.00 C ATOM 316 O ARG A 145 4.969 3.627 -7.056 1.00 0.00 O ATOM 317 CB ARG A 145 7.893 4.842 -6.436 1.00 0.00 C ATOM 318 CG ARG A 145 8.432 5.492 -7.698 1.00 0.00 C ATOM 319 CD ARG A 145 7.914 4.797 -8.947 1.00 0.00 C ATOM 320 NE ARG A 145 8.115 5.606 -10.147 1.00 0.00 N ATOM 321 CZ ARG A 145 7.744 5.228 -11.368 1.00 0.00 C ATOM 322 NH1 ARG A 145 7.154 4.054 -11.555 1.00 0.00 N ATOM 323 NH2 ARG A 145 7.964 6.026 -12.404 1.00 0.00 N ATOM 0 H ARG A 145 7.323 6.060 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 145 6.088 5.916 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.541 5.101 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.936 3.759 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.144 6.543 -7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 145 9.521 5.461 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 145 8.421 3.840 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 145 6.852 4.582 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 145 8.567 6.515 -10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 145 6.983 3.437 -10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 145 6.871 3.769 -12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 145 8.417 6.929 -12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 145 7.680 5.737 -13.340 1.00 0.00 H new ATOM 337 N HIS A 146 5.454 3.419 -4.868 1.00 0.00 N ATOM 338 CA HIS A 146 4.626 2.233 -4.683 1.00 0.00 C ATOM 339 C HIS A 146 3.139 2.592 -4.665 1.00 0.00 C ATOM 340 O HIS A 146 2.282 1.712 -4.735 1.00 0.00 O ATOM 341 CB HIS A 146 5.004 1.522 -3.384 1.00 0.00 C ATOM 342 CG HIS A 146 6.456 1.168 -3.295 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.045 0.682 -2.147 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.442 1.233 -4.223 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.328 0.464 -2.371 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.593 0.790 -3.623 1.00 0.00 N ATOM 0 H HIS A 146 5.935 3.733 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 146 4.806 1.565 -5.525 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.742 2.161 -2.541 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.411 0.612 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.340 1.570 -5.244 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.039 0.084 -1.653 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.507 0.723 -4.072 1.00 0.00 H new ATOM 354 N LYS A 147 2.840 3.885 -4.572 1.00 0.00 N ATOM 355 CA LYS A 147 1.458 4.350 -4.544 1.00 0.00 C ATOM 356 C LYS A 147 0.718 3.788 -3.335 1.00 0.00 C ATOM 357 O LYS A 147 -0.438 3.378 -3.435 1.00 0.00 O ATOM 358 CB LYS A 147 0.736 3.950 -5.834 1.00 0.00 C ATOM 359 CG LYS A 147 1.184 4.742 -7.052 1.00 0.00 C ATOM 360 CD LYS A 147 1.229 3.872 -8.297 1.00 0.00 C ATOM 361 CE LYS A 147 -0.074 3.949 -9.077 1.00 0.00 C ATOM 362 NZ LYS A 147 0.070 3.396 -10.452 1.00 0.00 N ATOM 0 H LYS A 147 3.536 4.628 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 147 1.468 5.437 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.902 2.889 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.337 4.085 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.503 5.577 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.171 5.167 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 147 2.055 4.189 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 147 1.424 2.838 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -0.850 3.399 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 147 -0.402 4.987 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -0.839 3.466 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 0.792 3.936 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 0.358 2.398 -10.396 1.00 0.00 H new ATOM 376 N VAL A 148 1.394 3.774 -2.192 1.00 0.00 N ATOM 377 CA VAL A 148 0.802 3.264 -0.959 1.00 0.00 C ATOM 378 C VAL A 148 1.273 4.071 0.248 1.00 0.00 C ATOM 379 O VAL A 148 2.442 4.447 0.337 1.00 0.00 O ATOM 380 CB VAL A 148 1.148 1.778 -0.744 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.653 1.588 -0.621 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.431 1.232 0.483 1.00 0.00 C ATOM 0 H VAL A 148 2.352 4.110 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.279 3.363 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 148 0.806 1.218 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.875 0.532 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.139 1.934 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.024 2.162 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.689 0.181 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.737 1.796 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.646 1.327 0.347 1.00 0.00 H new ATOM 392 N CYS A 149 0.356 4.333 1.173 1.00 0.00 N ATOM 393 CA CYS A 149 0.678 5.096 2.373 1.00 0.00 C ATOM 394 C CYS A 149 1.523 4.263 3.336 1.00 0.00 C ATOM 395 O CYS A 149 2.020 3.196 2.977 1.00 0.00 O ATOM 396 CB CYS A 149 -0.606 5.566 3.064 1.00 0.00 C ATOM 397 SG CYS A 149 -1.576 4.241 3.818 1.00 0.00 S ATOM 0 H CYS A 149 -0.616 4.028 1.115 1.00 0.00 H new ATOM 0 HA CYS A 149 1.258 5.970 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.345 6.292 3.834 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.228 6.085 2.334 1.00 0.00 H new ATOM 0 HG CYS A 149 -2.637 4.744 4.376 1.00 0.00 H new ATOM 402 N GLU A 150 1.682 4.759 4.559 1.00 0.00 N ATOM 403 CA GLU A 150 2.468 4.062 5.570 1.00 0.00 C ATOM 404 C GLU A 150 1.643 2.979 6.255 1.00 0.00 C ATOM 405 O GLU A 150 2.169 1.935 6.643 1.00 0.00 O ATOM 406 CB GLU A 150 2.994 5.054 6.609 1.00 0.00 C ATOM 407 CG GLU A 150 4.368 5.612 6.277 1.00 0.00 C ATOM 408 CD GLU A 150 4.510 7.073 6.654 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.806 7.912 6.057 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.328 7.379 7.549 1.00 0.00 O ATOM 0 H GLU A 150 1.277 5.641 4.873 1.00 0.00 H new ATOM 0 HA GLU A 150 3.312 3.585 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.288 5.880 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.036 4.561 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 150 5.128 5.030 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.555 5.496 5.209 1.00 0.00 H new ATOM 417 N ILE A 151 0.346 3.232 6.405 1.00 0.00 N ATOM 418 CA ILE A 151 -0.549 2.279 7.047 1.00 0.00 C ATOM 419 C ILE A 151 -0.564 0.948 6.298 1.00 0.00 C ATOM 420 O ILE A 151 -0.010 -0.046 6.770 1.00 0.00 O ATOM 421 CB ILE A 151 -1.985 2.838 7.138 1.00 0.00 C ATOM 422 CG1 ILE A 151 -2.017 4.052 8.064 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.959 1.775 7.628 1.00 0.00 C ATOM 424 CD1 ILE A 151 -2.312 5.338 7.337 1.00 0.00 C ATOM 0 H ILE A 151 -0.107 4.090 6.090 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.172 2.111 8.056 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.295 3.143 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -2.772 3.895 8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -1.057 4.140 8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.962 2.198 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.957 0.933 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.656 1.432 8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -2.321 6.164 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.543 5.515 6.585 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -3.285 5.266 6.851 1.00 0.00 H new ATOM 436 N HIS A 152 -1.202 0.937 5.132 1.00 0.00 N ATOM 437 CA HIS A 152 -1.290 -0.271 4.318 1.00 0.00 C ATOM 438 C HIS A 152 0.097 -0.820 3.993 1.00 0.00 C ATOM 439 O HIS A 152 0.256 -2.012 3.731 1.00 0.00 O ATOM 440 CB HIS A 152 -2.053 0.017 3.024 1.00 0.00 C ATOM 441 CG HIS A 152 -3.501 0.331 3.241 1.00 0.00 C ATOM 442 ND1 HIS A 152 -4.038 1.585 3.044 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.528 -0.456 3.642 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.330 1.559 3.317 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.653 0.333 3.682 1.00 0.00 N ATOM 0 H HIS A 152 -1.666 1.751 4.729 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.829 -1.024 4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.581 0.855 2.512 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.972 -0.847 2.364 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.473 -1.507 3.885 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -6.007 2.398 3.252 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.586 0.021 3.950 1.00 0.00 H new ATOM 452 N SER A 153 1.098 0.056 4.012 1.00 0.00 N ATOM 453 CA SER A 153 2.470 -0.345 3.719 1.00 0.00 C ATOM 454 C SER A 153 2.920 -1.472 4.644 1.00 0.00 C ATOM 455 O SER A 153 3.744 -2.305 4.267 1.00 0.00 O ATOM 456 CB SER A 153 3.412 0.851 3.857 1.00 0.00 C ATOM 457 OG SER A 153 3.730 1.400 2.588 1.00 0.00 O ATOM 0 H SER A 153 0.985 1.047 4.227 1.00 0.00 H new ATOM 0 HA SER A 153 2.503 -0.710 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 153 2.947 1.614 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.327 0.541 4.362 1.00 0.00 H new ATOM 0 HG SER A 153 3.030 2.032 2.320 1.00 0.00 H new ATOM 463 N LYS A 154 2.370 -1.494 5.854 1.00 0.00 N ATOM 464 CA LYS A 154 2.713 -2.520 6.832 1.00 0.00 C ATOM 465 C LYS A 154 1.457 -3.130 7.444 1.00 0.00 C ATOM 466 O LYS A 154 1.429 -3.461 8.629 1.00 0.00 O ATOM 467 CB LYS A 154 3.596 -1.930 7.933 1.00 0.00 C ATOM 468 CG LYS A 154 4.803 -1.170 7.403 1.00 0.00 C ATOM 469 CD LYS A 154 4.902 0.220 8.013 1.00 0.00 C ATOM 470 CE LYS A 154 5.377 0.163 9.456 1.00 0.00 C ATOM 471 NZ LYS A 154 6.845 0.387 9.567 1.00 0.00 N ATOM 0 H LYS A 154 1.685 -0.813 6.181 1.00 0.00 H new ATOM 0 HA LYS A 154 3.264 -3.307 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 154 2.996 -1.259 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.940 -2.735 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.712 -1.730 7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 154 4.734 -1.088 6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.591 0.828 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 154 3.928 0.708 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 154 4.850 0.916 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 154 5.125 -0.808 9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.129 0.340 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.350 -0.346 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.083 1.324 9.183 1.00 0.00 H new ATOM 485 N ALA A 155 0.418 -3.273 6.628 1.00 0.00 N ATOM 486 CA ALA A 155 -0.843 -3.843 7.089 1.00 0.00 C ATOM 487 C ALA A 155 -0.968 -5.305 6.677 1.00 0.00 C ATOM 488 O ALA A 155 -0.075 -5.859 6.037 1.00 0.00 O ATOM 489 CB ALA A 155 -2.014 -3.038 6.546 1.00 0.00 C ATOM 0 H ALA A 155 0.424 -3.002 5.645 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.858 -3.798 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.949 -3.474 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.940 -2.008 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.993 -3.055 5.456 1.00 0.00 H new ATOM 495 N THR A 156 -2.083 -5.925 7.050 1.00 0.00 N ATOM 496 CA THR A 156 -2.327 -7.325 6.719 1.00 0.00 C ATOM 497 C THR A 156 -3.427 -7.459 5.672 1.00 0.00 C ATOM 498 O THR A 156 -3.424 -8.394 4.870 1.00 0.00 O ATOM 499 CB THR A 156 -2.721 -8.137 7.968 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.659 -7.396 8.758 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.496 -8.472 8.804 1.00 0.00 C ATOM 0 H THR A 156 -2.832 -5.481 7.581 1.00 0.00 H new ATOM 0 HA THR A 156 -1.395 -7.721 6.316 1.00 0.00 H new ATOM 0 HB THR A 156 -3.181 -9.069 7.639 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.906 -7.919 9.549 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.799 -9.045 9.680 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.799 -9.061 8.208 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.011 -7.550 9.124 1.00 0.00 H new ATOM 509 N THR A 157 -4.367 -6.518 5.684 1.00 0.00 N ATOM 510 CA THR A 157 -5.472 -6.532 4.733 1.00 0.00 C ATOM 511 C THR A 157 -5.698 -5.147 4.136 1.00 0.00 C ATOM 512 O THR A 157 -5.682 -4.143 4.848 1.00 0.00 O ATOM 513 CB THR A 157 -6.776 -7.012 5.396 1.00 0.00 C ATOM 514 OG1 THR A 157 -7.075 -6.199 6.537 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.663 -8.468 5.821 1.00 0.00 C ATOM 0 H THR A 157 -4.385 -5.738 6.341 1.00 0.00 H new ATOM 0 HA THR A 157 -5.200 -7.228 3.939 1.00 0.00 H new ATOM 0 HB THR A 157 -7.581 -6.924 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.907 -6.510 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.596 -8.785 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.465 -9.088 4.947 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.846 -8.576 6.535 1.00 0.00 H new ATOM 523 N ALA A 158 -5.909 -5.101 2.824 1.00 0.00 N ATOM 524 CA ALA A 158 -6.139 -3.840 2.131 1.00 0.00 C ATOM 525 C ALA A 158 -6.999 -4.045 0.889 1.00 0.00 C ATOM 526 O ALA A 158 -6.975 -5.111 0.275 1.00 0.00 O ATOM 527 CB ALA A 158 -4.813 -3.194 1.760 1.00 0.00 C ATOM 0 H ALA A 158 -5.925 -5.923 2.220 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.678 -3.175 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.999 -2.253 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -4.236 -3.003 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.253 -3.863 1.106 1.00 0.00 H new ATOM 533 N LEU A 159 -7.756 -3.015 0.525 1.00 0.00 N ATOM 534 CA LEU A 159 -8.624 -3.082 -0.646 1.00 0.00 C ATOM 535 C LEU A 159 -8.024 -2.304 -1.813 1.00 0.00 C ATOM 536 O LEU A 159 -7.749 -1.109 -1.700 1.00 0.00 O ATOM 537 CB LEU A 159 -10.011 -2.530 -0.307 1.00 0.00 C ATOM 538 CG LEU A 159 -11.184 -3.324 -0.887 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.034 -3.473 -2.393 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.282 -4.689 -0.222 1.00 0.00 C ATOM 0 H LEU A 159 -7.786 -2.125 1.023 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.718 -4.127 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.116 -2.495 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.074 -1.503 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.105 -2.776 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.877 -4.040 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.012 -2.486 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.106 -3.999 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.121 -5.241 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.359 -5.244 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.436 -4.561 0.850 1.00 0.00 H new ATOM 552 N VAL A 160 -7.823 -2.990 -2.934 1.00 0.00 N ATOM 553 CA VAL A 160 -7.255 -2.363 -4.121 1.00 0.00 C ATOM 554 C VAL A 160 -7.930 -2.874 -5.390 1.00 0.00 C ATOM 555 O VAL A 160 -7.624 -3.967 -5.868 1.00 0.00 O ATOM 556 CB VAL A 160 -5.738 -2.619 -4.222 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.128 -1.786 -5.339 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.058 -2.324 -2.894 1.00 0.00 C ATOM 0 H VAL A 160 -8.045 -3.979 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.430 -1.291 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.581 -3.671 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.057 -1.980 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.595 -2.052 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.295 -0.728 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.988 -2.510 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.223 -1.281 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.475 -2.969 -2.121 1.00 0.00 H new ATOM 568 N GLY A 161 -8.847 -2.078 -5.928 1.00 0.00 N ATOM 569 CA GLY A 161 -9.550 -2.469 -7.136 1.00 0.00 C ATOM 570 C GLY A 161 -10.867 -3.159 -6.843 1.00 0.00 C ATOM 571 O GLY A 161 -11.876 -2.890 -7.495 1.00 0.00 O ATOM 0 H GLY A 161 -9.116 -1.170 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.734 -1.586 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.917 -3.135 -7.722 1.00 0.00 H new ATOM 575 N GLY A 162 -10.858 -4.053 -5.859 1.00 0.00 N ATOM 576 CA GLY A 162 -12.067 -4.770 -5.497 1.00 0.00 C ATOM 577 C GLY A 162 -11.786 -5.972 -4.617 1.00 0.00 C ATOM 578 O GLY A 162 -12.620 -6.358 -3.798 1.00 0.00 O ATOM 0 H GLY A 162 -10.035 -4.294 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.745 -4.093 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.576 -5.098 -6.403 1.00 0.00 H new ATOM 582 N ILE A 163 -10.607 -6.563 -4.784 1.00 0.00 N ATOM 583 CA ILE A 163 -10.218 -7.727 -3.999 1.00 0.00 C ATOM 584 C ILE A 163 -9.155 -7.361 -2.969 1.00 0.00 C ATOM 585 O ILE A 163 -8.403 -6.404 -3.149 1.00 0.00 O ATOM 586 CB ILE A 163 -9.678 -8.856 -4.897 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.629 -9.105 -6.069 1.00 0.00 C ATOM 588 CG2 ILE A 163 -9.483 -10.129 -4.086 1.00 0.00 C ATOM 589 CD1 ILE A 163 -10.007 -9.907 -7.191 1.00 0.00 C ATOM 0 H ILE A 163 -9.905 -6.254 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 163 -11.114 -8.078 -3.487 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.711 -8.551 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -11.512 -9.629 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.967 -8.146 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -9.101 -10.918 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.771 -9.943 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -10.437 -10.439 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.738 -10.045 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -9.140 -9.374 -7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.694 -10.880 -6.813 1.00 0.00 H new ATOM 601 N MET A 164 -9.101 -8.131 -1.889 1.00 0.00 N ATOM 602 CA MET A 164 -8.131 -7.893 -0.826 1.00 0.00 C ATOM 603 C MET A 164 -6.750 -8.401 -1.226 1.00 0.00 C ATOM 604 O MET A 164 -6.627 -9.366 -1.982 1.00 0.00 O ATOM 605 CB MET A 164 -8.585 -8.574 0.466 1.00 0.00 C ATOM 606 CG MET A 164 -9.782 -7.903 1.119 1.00 0.00 C ATOM 607 SD MET A 164 -9.310 -6.795 2.462 1.00 0.00 S ATOM 608 CE MET A 164 -10.917 -6.343 3.108 1.00 0.00 C ATOM 0 H MET A 164 -9.718 -8.927 -1.726 1.00 0.00 H new ATOM 0 HA MET A 164 -8.067 -6.818 -0.659 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.834 -9.613 0.251 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.755 -8.585 1.172 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.334 -7.340 0.366 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.457 -8.667 1.504 1.00 0.00 H new ATOM 0 HE1 MET A 164 -10.875 -5.332 3.513 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.655 -6.383 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.200 -7.039 3.898 1.00 0.00 H new ATOM 618 N GLN A 165 -5.714 -7.748 -0.712 1.00 0.00 N ATOM 619 CA GLN A 165 -4.340 -8.134 -1.015 1.00 0.00 C ATOM 620 C GLN A 165 -3.372 -7.550 0.008 1.00 0.00 C ATOM 621 O GLN A 165 -3.761 -6.747 0.857 1.00 0.00 O ATOM 622 CB GLN A 165 -3.956 -7.668 -2.420 1.00 0.00 C ATOM 623 CG GLN A 165 -4.217 -6.191 -2.666 1.00 0.00 C ATOM 624 CD GLN A 165 -4.521 -5.888 -4.119 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.649 -5.449 -4.871 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.764 -6.119 -4.525 1.00 0.00 N ATOM 0 H GLN A 165 -5.799 -6.949 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.276 -9.221 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.898 -7.873 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.512 -8.253 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.054 -5.866 -2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.346 -5.615 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.455 -6.483 -3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.027 -5.933 -5.493 1.00 0.00 H new ATOM 635 N ARG A 166 -2.111 -7.956 -0.078 1.00 0.00 N ATOM 636 CA ARG A 166 -1.085 -7.473 0.841 1.00 0.00 C ATOM 637 C ARG A 166 0.078 -6.846 0.077 1.00 0.00 C ATOM 638 O ARG A 166 0.251 -7.089 -1.118 1.00 0.00 O ATOM 639 CB ARG A 166 -0.580 -8.621 1.721 1.00 0.00 C ATOM 640 CG ARG A 166 -0.872 -8.426 3.199 1.00 0.00 C ATOM 641 CD ARG A 166 -0.797 -9.741 3.961 1.00 0.00 C ATOM 642 NE ARG A 166 0.407 -9.829 4.782 1.00 0.00 N ATOM 643 CZ ARG A 166 0.554 -10.678 5.796 1.00 0.00 C ATOM 644 NH1 ARG A 166 -0.426 -11.516 6.117 1.00 0.00 N ATOM 645 NH2 ARG A 166 1.683 -10.693 6.492 1.00 0.00 N ATOM 0 H ARG A 166 -1.773 -8.619 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.530 -6.707 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.039 -9.552 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.496 -8.728 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -0.159 -7.718 3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -1.864 -7.990 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -1.677 -9.843 4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -0.816 -10.571 3.255 1.00 0.00 H new ATOM 0 HE ARG A 166 1.182 -9.202 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -1.296 -11.511 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -0.308 -12.165 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 166 2.440 -10.053 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 166 1.794 -11.344 7.269 1.00 0.00 H new ATOM 659 N PHE A 167 0.870 -6.041 0.775 1.00 0.00 N ATOM 660 CA PHE A 167 2.017 -5.378 0.163 1.00 0.00 C ATOM 661 C PHE A 167 3.322 -6.020 0.621 1.00 0.00 C ATOM 662 O PHE A 167 3.397 -6.592 1.707 1.00 0.00 O ATOM 663 CB PHE A 167 2.016 -3.889 0.510 1.00 0.00 C ATOM 664 CG PHE A 167 2.974 -3.080 -0.318 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.681 -2.775 -1.638 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.165 -2.623 0.223 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.560 -2.030 -2.403 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.047 -1.877 -0.535 1.00 0.00 C ATOM 669 CZ PHE A 167 4.744 -1.582 -1.851 1.00 0.00 C ATOM 0 H PHE A 167 0.740 -5.831 1.765 1.00 0.00 H new ATOM 0 HA PHE A 167 1.938 -5.491 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.009 -3.494 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.268 -3.769 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.756 -3.123 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.407 -2.853 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.321 -1.799 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 167 5.971 -1.525 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.433 -1.002 -2.447 1.00 0.00 H new ATOM 679 N CYS A 168 4.351 -5.918 -0.215 1.00 0.00 N ATOM 680 CA CYS A 168 5.656 -6.487 0.103 1.00 0.00 C ATOM 681 C CYS A 168 6.728 -5.404 0.131 1.00 0.00 C ATOM 682 O CYS A 168 6.549 -4.324 -0.432 1.00 0.00 O ATOM 683 CB CYS A 168 6.028 -7.565 -0.917 1.00 0.00 C ATOM 684 SG CYS A 168 7.269 -8.740 -0.327 1.00 0.00 S ATOM 0 H CYS A 168 4.306 -5.446 -1.118 1.00 0.00 H new ATOM 0 HA CYS A 168 5.597 -6.940 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 168 5.128 -8.113 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.400 -7.082 -1.821 1.00 0.00 H new ATOM 0 HG CYS A 168 7.516 -9.614 -1.257 1.00 0.00 H new ATOM 690 N GLN A 169 7.844 -5.699 0.790 1.00 0.00 N ATOM 691 CA GLN A 169 8.946 -4.751 0.891 1.00 0.00 C ATOM 692 C GLN A 169 10.025 -5.057 -0.143 1.00 0.00 C ATOM 693 O GLN A 169 10.687 -4.153 -0.651 1.00 0.00 O ATOM 694 CB GLN A 169 9.548 -4.783 2.298 1.00 0.00 C ATOM 695 CG GLN A 169 8.590 -4.308 3.379 1.00 0.00 C ATOM 696 CD GLN A 169 8.235 -5.403 4.366 1.00 0.00 C ATOM 697 OE1 GLN A 169 8.952 -6.395 4.497 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.120 -5.228 5.068 1.00 0.00 N ATOM 0 H GLN A 169 8.008 -6.588 1.262 1.00 0.00 H new ATOM 0 HA GLN A 169 8.552 -3.754 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.865 -5.801 2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.442 -4.159 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.039 -3.472 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.678 -3.935 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 169 6.555 -4.390 4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 169 6.829 -5.931 5.747 1.00 0.00 H new ATOM 707 N GLN A 170 10.195 -6.339 -0.450 1.00 0.00 N ATOM 708 CA GLN A 170 11.194 -6.765 -1.424 1.00 0.00 C ATOM 709 C GLN A 170 10.642 -6.674 -2.842 1.00 0.00 C ATOM 710 O GLN A 170 11.315 -6.187 -3.751 1.00 0.00 O ATOM 711 CB GLN A 170 11.644 -8.197 -1.130 1.00 0.00 C ATOM 712 CG GLN A 170 13.122 -8.436 -1.395 1.00 0.00 C ATOM 713 CD GLN A 170 13.726 -9.454 -0.446 1.00 0.00 C ATOM 714 OE1 GLN A 170 13.691 -10.657 -0.705 1.00 0.00 O ATOM 715 NE2 GLN A 170 14.284 -8.974 0.659 1.00 0.00 N ATOM 0 H GLN A 170 9.655 -7.100 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 170 12.053 -6.098 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 170 11.428 -8.430 -0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.058 -8.886 -1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 170 13.253 -8.779 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 170 13.661 -7.493 -1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 170 14.290 -7.969 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.707 -9.610 1.335 1.00 0.00 H new ATOM 724 N CYS A 171 9.415 -7.146 -3.027 1.00 0.00 N ATOM 725 CA CYS A 171 8.773 -7.118 -4.337 1.00 0.00 C ATOM 726 C CYS A 171 8.308 -5.707 -4.684 1.00 0.00 C ATOM 727 O CYS A 171 8.294 -5.318 -5.852 1.00 0.00 O ATOM 728 CB CYS A 171 7.585 -8.083 -4.366 1.00 0.00 C ATOM 729 SG CYS A 171 7.455 -9.044 -5.892 1.00 0.00 S ATOM 0 H CYS A 171 8.844 -7.553 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 171 9.505 -7.432 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 171 7.667 -8.769 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.665 -7.515 -4.227 1.00 0.00 H new ATOM 0 HG CYS A 171 6.203 -9.172 -6.219 1.00 0.00 H new ATOM 735 N SER A 172 7.928 -4.946 -3.663 1.00 0.00 N ATOM 736 CA SER A 172 7.463 -3.578 -3.859 1.00 0.00 C ATOM 737 C SER A 172 6.248 -3.541 -4.785 1.00 0.00 C ATOM 738 O SER A 172 6.130 -2.661 -5.635 1.00 0.00 O ATOM 739 CB SER A 172 8.585 -2.712 -4.435 1.00 0.00 C ATOM 740 OG SER A 172 8.678 -2.862 -5.842 1.00 0.00 O ATOM 0 H SER A 172 7.933 -5.254 -2.691 1.00 0.00 H new ATOM 0 HA SER A 172 7.169 -3.180 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.403 -1.666 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 172 9.534 -2.987 -3.974 1.00 0.00 H new ATOM 0 HG SER A 172 8.887 -3.795 -6.058 1.00 0.00 H new ATOM 746 N ARG A 173 5.351 -4.506 -4.612 1.00 0.00 N ATOM 747 CA ARG A 173 4.147 -4.585 -5.430 1.00 0.00 C ATOM 748 C ARG A 173 3.029 -5.307 -4.685 1.00 0.00 C ATOM 749 O ARG A 173 3.272 -6.283 -3.976 1.00 0.00 O ATOM 750 CB ARG A 173 4.447 -5.304 -6.746 1.00 0.00 C ATOM 751 CG ARG A 173 3.443 -5.002 -7.848 1.00 0.00 C ATOM 752 CD ARG A 173 3.460 -3.530 -8.227 1.00 0.00 C ATOM 753 NE ARG A 173 4.804 -3.066 -8.563 1.00 0.00 N ATOM 754 CZ ARG A 173 5.160 -1.784 -8.589 1.00 0.00 C ATOM 755 NH1 ARG A 173 4.278 -0.836 -8.299 1.00 0.00 N ATOM 756 NH2 ARG A 173 6.404 -1.448 -8.905 1.00 0.00 N ATOM 0 H ARG A 173 5.435 -5.244 -3.913 1.00 0.00 H new ATOM 0 HA ARG A 173 3.817 -3.569 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.443 -5.021 -7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.465 -6.379 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 173 3.671 -5.608 -8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 173 2.443 -5.283 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 173 2.797 -3.367 -9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 173 3.069 -2.938 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 173 5.511 -3.765 -8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 173 3.320 -1.088 -8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 173 4.558 0.145 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 173 7.087 -2.172 -9.128 1.00 0.00 H new ATOM 0 HH22 ARG A 173 6.677 -0.466 -8.925 1.00 0.00 H new ATOM 770 N PHE A 174 1.803 -4.819 -4.852 1.00 0.00 N ATOM 771 CA PHE A 174 0.646 -5.419 -4.196 1.00 0.00 C ATOM 772 C PHE A 174 0.351 -6.801 -4.771 1.00 0.00 C ATOM 773 O PHE A 174 0.233 -6.967 -5.985 1.00 0.00 O ATOM 774 CB PHE A 174 -0.578 -4.514 -4.350 1.00 0.00 C ATOM 775 CG PHE A 174 -0.832 -3.640 -3.156 1.00 0.00 C ATOM 776 CD1 PHE A 174 -0.958 -4.191 -1.890 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.946 -2.266 -3.298 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.191 -3.389 -0.790 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.181 -1.459 -2.202 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.304 -2.020 -0.946 1.00 0.00 C ATOM 0 H PHE A 174 1.586 -4.011 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 174 0.875 -5.530 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.446 -3.884 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.457 -5.133 -4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.873 -5.260 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.850 -1.821 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.285 -3.831 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.269 -0.390 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.488 -1.391 -0.088 1.00 0.00 H new ATOM 790 N HIS A 175 0.230 -7.789 -3.891 1.00 0.00 N ATOM 791 CA HIS A 175 -0.052 -9.157 -4.311 1.00 0.00 C ATOM 792 C HIS A 175 -1.197 -9.751 -3.496 1.00 0.00 C ATOM 793 O HIS A 175 -1.354 -9.445 -2.314 1.00 0.00 O ATOM 794 CB HIS A 175 1.197 -10.027 -4.167 1.00 0.00 C ATOM 795 CG HIS A 175 2.184 -9.846 -5.278 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.225 -10.376 -6.522 1.00 0.00 N flip ATOM 797 CD2 HIS A 175 3.297 -9.037 -5.173 1.00 0.00 C flip ATOM 798 CE1 HIS A 175 3.347 -9.881 -7.141 1.00 0.00 C flip ATOM 799 NE2 HIS A 175 3.976 -9.076 -6.304 1.00 0.00 N flip ATOM 0 H HIS A 175 0.323 -7.668 -2.882 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.349 -9.134 -5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.683 -9.796 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.897 -11.074 -4.125 1.00 0.00 H new ATOM 0 HD1 HIS A 175 1.548 -11.023 -6.926 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.570 -8.461 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.663 -10.112 -8.147 1.00 0.00 H new ATOM 807 N VAL A 176 -1.992 -10.603 -4.135 1.00 0.00 N ATOM 808 CA VAL A 176 -3.121 -11.241 -3.470 1.00 0.00 C ATOM 809 C VAL A 176 -2.671 -12.010 -2.231 1.00 0.00 C ATOM 810 O VAL A 176 -1.567 -12.552 -2.194 1.00 0.00 O ATOM 811 CB VAL A 176 -3.860 -12.205 -4.417 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.638 -11.429 -5.468 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.879 -13.166 -5.071 1.00 0.00 C ATOM 0 H VAL A 176 -1.875 -10.867 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.801 -10.443 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.570 -12.789 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.154 -12.127 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.369 -10.785 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.950 -10.818 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.419 -13.840 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.144 -12.601 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.371 -13.747 -4.301 1.00 0.00 H new ATOM 823 N LEU A 177 -3.534 -12.052 -1.222 1.00 0.00 N ATOM 824 CA LEU A 177 -3.228 -12.754 0.020 1.00 0.00 C ATOM 825 C LEU A 177 -2.894 -14.221 -0.243 1.00 0.00 C ATOM 826 O LEU A 177 -2.201 -14.859 0.548 1.00 0.00 O ATOM 827 CB LEU A 177 -4.408 -12.654 0.989 1.00 0.00 C ATOM 828 CG LEU A 177 -4.909 -11.233 1.252 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.422 -11.219 1.413 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.235 -10.650 2.485 1.00 0.00 C ATOM 0 H LEU A 177 -4.452 -11.608 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.354 -12.280 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.233 -13.247 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.118 -13.103 1.939 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.651 -10.614 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.759 -10.199 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -6.888 -11.594 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.704 -11.854 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.603 -9.639 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -4.462 -11.271 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.156 -10.622 2.331 1.00 0.00 H new