USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 171 CYS SG : rot -170:sc= 0.711 USER MOD Set 1.2: A 175 HIS : no HD1:sc= -0.634 K(o=0.077,f=-12!) USER MOD Set 2.1: A 143 HIS : no HE2:sc= -2.92 K(o=-2.5,f=-3.2) USER MOD Set 2.2: A 153 SER OG : rot 174:sc= 0.445 USER MOD Single : A 126 CYS SG : rot 180:sc= 0.0196 USER MOD Single : A 128 GLN : amide:sc= 0.949 K(o=0.95,f=-0.094) 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 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-0.92) 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= 0.00288 USER MOD Single : A 157 THR OG1 : rot 48:sc= 0.009 USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -5.04 K(o=-5,f=-5.6!) USER MOD Single : A 168 CYS SG : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.65) USER MOD Single : A 170 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.453 14.541 -6.369 1.00 0.00 N ATOM 2 CA ALA A 124 2.181 13.477 -5.368 1.00 0.00 C ATOM 3 C ALA A 124 1.182 12.459 -5.910 1.00 0.00 C ATOM 4 O ALA A 124 0.529 12.694 -6.927 1.00 0.00 O ATOM 5 CB ALA A 124 1.661 14.089 -4.078 1.00 0.00 C ATOM 0 HA ALA A 124 3.117 12.958 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.466 13.299 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.406 14.775 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.738 14.633 -4.279 1.00 0.00 H new ATOM 11 N ILE A 125 1.070 11.326 -5.225 1.00 0.00 N ATOM 12 CA ILE A 125 0.150 10.272 -5.636 1.00 0.00 C ATOM 13 C ILE A 125 -0.615 9.712 -4.442 1.00 0.00 C ATOM 14 O ILE A 125 -0.024 9.140 -3.527 1.00 0.00 O ATOM 15 CB ILE A 125 0.895 9.120 -6.337 1.00 0.00 C ATOM 16 CG1 ILE A 125 1.845 9.668 -7.403 1.00 0.00 C ATOM 17 CG2 ILE A 125 -0.098 8.146 -6.955 1.00 0.00 C ATOM 18 CD1 ILE A 125 2.715 8.608 -8.041 1.00 0.00 C ATOM 0 H ILE A 125 1.605 11.114 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.553 10.722 -6.336 1.00 0.00 H new ATOM 0 HB ILE A 125 1.486 8.585 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.261 10.162 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.484 10.428 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.443 7.338 -7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.736 7.733 -6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.713 8.669 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.363 9.069 -8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.326 8.130 -7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.084 7.860 -8.521 1.00 0.00 H new ATOM 30 N CYS A 126 -1.933 9.882 -4.458 1.00 0.00 N ATOM 31 CA CYS A 126 -2.778 9.394 -3.375 1.00 0.00 C ATOM 32 C CYS A 126 -2.726 7.872 -3.285 1.00 0.00 C ATOM 33 O CYS A 126 -2.392 7.194 -4.257 1.00 0.00 O ATOM 34 CB CYS A 126 -4.223 9.855 -3.580 1.00 0.00 C ATOM 35 SG CYS A 126 -4.396 11.630 -3.873 1.00 0.00 S ATOM 0 H CYS A 126 -2.438 10.353 -5.208 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.400 9.808 -2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.649 9.315 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.808 9.584 -2.701 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.652 11.922 -4.037 1.00 0.00 H new ATOM 41 N CYS A 127 -3.060 7.342 -2.113 1.00 0.00 N ATOM 42 CA CYS A 127 -3.054 5.900 -1.893 1.00 0.00 C ATOM 43 C CYS A 127 -3.981 5.194 -2.878 1.00 0.00 C ATOM 44 O CYS A 127 -5.012 5.738 -3.273 1.00 0.00 O ATOM 45 CB CYS A 127 -3.477 5.582 -0.457 1.00 0.00 C ATOM 46 SG CYS A 127 -3.220 3.860 0.027 1.00 0.00 S ATOM 0 H CYS A 127 -3.339 7.891 -1.299 1.00 0.00 H new ATOM 0 HA CYS A 127 -2.039 5.537 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.921 6.226 0.225 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.532 5.827 -0.338 1.00 0.00 H new ATOM 51 N GLN A 128 -3.609 3.980 -3.270 1.00 0.00 N ATOM 52 CA GLN A 128 -4.409 3.201 -4.209 1.00 0.00 C ATOM 53 C GLN A 128 -5.314 2.220 -3.472 1.00 0.00 C ATOM 54 O GLN A 128 -5.575 1.117 -3.955 1.00 0.00 O ATOM 55 CB GLN A 128 -3.500 2.446 -5.182 1.00 0.00 C ATOM 56 CG GLN A 128 -2.665 1.360 -4.519 1.00 0.00 C ATOM 57 CD GLN A 128 -1.757 0.645 -5.500 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.224 -0.006 -6.435 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.451 0.761 -5.290 1.00 0.00 N ATOM 0 H GLN A 128 -2.759 3.514 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.037 3.891 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -4.113 1.995 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.834 3.157 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.061 1.803 -3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -3.327 0.634 -4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.108 1.311 -4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.209 0.300 -5.916 1.00 0.00 H new ATOM 68 N VAL A 129 -5.792 2.626 -2.300 1.00 0.00 N ATOM 69 CA VAL A 129 -6.668 1.782 -1.497 1.00 0.00 C ATOM 70 C VAL A 129 -8.037 2.431 -1.314 1.00 0.00 C ATOM 71 O VAL A 129 -8.136 3.621 -1.019 1.00 0.00 O ATOM 72 CB VAL A 129 -6.058 1.498 -0.110 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.946 0.551 0.687 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.654 0.931 -0.253 1.00 0.00 C ATOM 0 H VAL A 129 -5.587 3.535 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.782 0.841 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.994 2.439 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.496 0.365 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.930 1.001 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.049 -0.391 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.238 0.736 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.693 0.001 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.023 1.649 -0.777 1.00 0.00 H new ATOM 84 N ASP A 130 -9.089 1.638 -1.492 1.00 0.00 N ATOM 85 CA ASP A 130 -10.453 2.135 -1.345 1.00 0.00 C ATOM 86 C ASP A 130 -10.672 2.713 0.050 1.00 0.00 C ATOM 87 O ASP A 130 -10.202 2.159 1.044 1.00 0.00 O ATOM 88 CB ASP A 130 -11.458 1.012 -1.609 1.00 0.00 C ATOM 89 CG ASP A 130 -12.680 1.496 -2.363 1.00 0.00 C ATOM 90 OD1 ASP A 130 -13.142 2.623 -2.082 1.00 0.00 O ATOM 91 OD2 ASP A 130 -13.175 0.750 -3.234 1.00 0.00 O ATOM 0 H ASP A 130 -9.024 0.650 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 130 -10.606 2.929 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.972 0.220 -2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.769 0.576 -0.660 1.00 0.00 H new ATOM 96 N ASN A 131 -11.390 3.829 0.117 1.00 0.00 N ATOM 97 CA ASN A 131 -11.674 4.484 1.390 1.00 0.00 C ATOM 98 C ASN A 131 -10.389 4.969 2.055 1.00 0.00 C ATOM 99 O ASN A 131 -10.297 5.024 3.282 1.00 0.00 O ATOM 100 CB ASN A 131 -12.418 3.529 2.326 1.00 0.00 C ATOM 101 CG ASN A 131 -13.724 3.040 1.734 1.00 0.00 C ATOM 102 OD1 ASN A 131 -14.711 3.773 1.688 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.737 1.793 1.276 1.00 0.00 N ATOM 0 H ASN A 131 -11.787 4.300 -0.696 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.305 5.350 1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.781 2.673 2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.617 4.033 3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.589 1.409 0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.895 1.220 1.334 1.00 0.00 H new ATOM 110 N CYS A 132 -9.400 5.319 1.239 1.00 0.00 N ATOM 111 CA CYS A 132 -8.123 5.803 1.752 1.00 0.00 C ATOM 112 C CYS A 132 -7.526 6.855 0.823 1.00 0.00 C ATOM 113 O CYS A 132 -6.670 6.550 -0.008 1.00 0.00 O ATOM 114 CB CYS A 132 -7.140 4.642 1.921 1.00 0.00 C ATOM 115 SG CYS A 132 -5.723 5.024 2.977 1.00 0.00 S ATOM 0 H CYS A 132 -9.458 5.277 0.222 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.304 6.261 2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.672 3.788 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.777 4.341 0.938 1.00 0.00 H new ATOM 120 N GLY A 133 -7.982 8.095 0.971 1.00 0.00 N ATOM 121 CA GLY A 133 -7.481 9.173 0.140 1.00 0.00 C ATOM 122 C GLY A 133 -6.320 9.907 0.781 1.00 0.00 C ATOM 123 O GLY A 133 -6.286 11.137 0.796 1.00 0.00 O ATOM 0 H GLY A 133 -8.689 8.372 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.165 8.769 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.287 9.879 -0.060 1.00 0.00 H new ATOM 127 N ALA A 134 -5.366 9.150 1.314 1.00 0.00 N ATOM 128 CA ALA A 134 -4.198 9.734 1.960 1.00 0.00 C ATOM 129 C ALA A 134 -3.210 10.271 0.930 1.00 0.00 C ATOM 130 O ALA A 134 -2.678 9.518 0.114 1.00 0.00 O ATOM 131 CB ALA A 134 -3.522 8.707 2.855 1.00 0.00 C ATOM 0 H ALA A 134 -5.380 8.130 1.311 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.534 10.571 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.651 9.157 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.223 8.374 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.207 7.853 2.255 1.00 0.00 H new ATOM 137 N ASP A 135 -2.970 11.577 0.974 1.00 0.00 N ATOM 138 CA ASP A 135 -2.045 12.216 0.045 1.00 0.00 C ATOM 139 C ASP A 135 -0.604 11.836 0.369 1.00 0.00 C ATOM 140 O ASP A 135 -0.152 11.984 1.505 1.00 0.00 O ATOM 141 CB ASP A 135 -2.207 13.736 0.096 1.00 0.00 C ATOM 142 CG ASP A 135 -2.046 14.380 -1.268 1.00 0.00 C ATOM 143 OD1 ASP A 135 -0.971 14.209 -1.881 1.00 0.00 O ATOM 144 OD2 ASP A 135 -2.993 15.055 -1.721 1.00 0.00 O ATOM 0 H ASP A 135 -3.403 12.214 1.643 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.278 11.867 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.191 13.981 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.470 14.155 0.782 1.00 0.00 H new ATOM 149 N LEU A 136 0.114 11.346 -0.637 1.00 0.00 N ATOM 150 CA LEU A 136 1.505 10.946 -0.458 1.00 0.00 C ATOM 151 C LEU A 136 2.450 12.097 -0.796 1.00 0.00 C ATOM 152 O LEU A 136 3.423 11.921 -1.528 1.00 0.00 O ATOM 153 CB LEU A 136 1.825 9.732 -1.334 1.00 0.00 C ATOM 154 CG LEU A 136 0.968 8.494 -1.060 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.369 7.354 -1.984 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.096 8.072 0.396 1.00 0.00 C ATOM 0 H LEU A 136 -0.244 11.217 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 136 1.649 10.678 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.704 10.015 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.873 9.468 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.075 8.744 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.750 6.482 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.228 7.659 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.417 7.103 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.481 7.190 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.138 7.838 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.762 8.885 1.041 1.00 0.00 H new ATOM 168 N SER A 137 2.154 13.275 -0.256 1.00 0.00 N ATOM 169 CA SER A 137 2.974 14.455 -0.499 1.00 0.00 C ATOM 170 C SER A 137 3.993 14.654 0.621 1.00 0.00 C ATOM 171 O SER A 137 5.016 15.312 0.430 1.00 0.00 O ATOM 172 CB SER A 137 2.091 15.698 -0.626 1.00 0.00 C ATOM 173 OG SER A 137 2.622 16.607 -1.574 1.00 0.00 O ATOM 0 H SER A 137 1.352 13.437 0.353 1.00 0.00 H new ATOM 0 HA SER A 137 3.514 14.303 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.085 15.404 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.006 16.188 0.344 1.00 0.00 H new ATOM 0 HG SER A 137 2.038 17.392 -1.637 1.00 0.00 H new ATOM 179 N LYS A 138 3.707 14.084 1.788 1.00 0.00 N ATOM 180 CA LYS A 138 4.599 14.202 2.935 1.00 0.00 C ATOM 181 C LYS A 138 5.529 12.996 3.033 1.00 0.00 C ATOM 182 O LYS A 138 5.869 12.551 4.129 1.00 0.00 O ATOM 183 CB LYS A 138 3.786 14.340 4.221 1.00 0.00 C ATOM 184 CG LYS A 138 4.590 14.874 5.393 1.00 0.00 C ATOM 185 CD LYS A 138 3.800 14.808 6.690 1.00 0.00 C ATOM 186 CE LYS A 138 3.844 13.415 7.297 1.00 0.00 C ATOM 187 NZ LYS A 138 3.315 13.399 8.689 1.00 0.00 N ATOM 0 H LYS A 138 2.865 13.536 1.963 1.00 0.00 H new ATOM 0 HA LYS A 138 5.210 15.094 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.941 15.004 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.374 13.367 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.510 14.298 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.881 15.906 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.204 15.529 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.765 15.092 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.262 12.731 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.871 13.050 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.362 12.431 9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.886 14.032 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.327 13.723 8.689 1.00 0.00 H new ATOM 201 N VAL A 139 5.938 12.471 1.882 1.00 0.00 N ATOM 202 CA VAL A 139 6.830 11.319 1.840 1.00 0.00 C ATOM 203 C VAL A 139 8.040 11.594 0.953 1.00 0.00 C ATOM 204 O VAL A 139 8.090 12.604 0.253 1.00 0.00 O ATOM 205 CB VAL A 139 6.103 10.064 1.322 1.00 0.00 C ATOM 206 CG1 VAL A 139 5.153 9.522 2.379 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.359 10.371 0.031 1.00 0.00 C ATOM 0 H VAL A 139 5.665 12.826 0.966 1.00 0.00 H new ATOM 0 HA VAL A 139 7.164 11.140 2.862 1.00 0.00 H new ATOM 0 HB VAL A 139 6.848 9.297 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.649 8.635 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.716 9.259 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 139 4.412 10.282 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.852 9.472 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.624 11.155 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.068 10.706 -0.726 1.00 0.00 H new ATOM 217 N LYS A 140 9.013 10.689 0.990 1.00 0.00 N ATOM 218 CA LYS A 140 10.223 10.837 0.190 1.00 0.00 C ATOM 219 C LYS A 140 10.328 9.725 -0.849 1.00 0.00 C ATOM 220 O LYS A 140 10.755 9.958 -1.981 1.00 0.00 O ATOM 221 CB LYS A 140 11.460 10.830 1.090 1.00 0.00 C ATOM 222 CG LYS A 140 11.694 12.148 1.811 1.00 0.00 C ATOM 223 CD LYS A 140 13.105 12.669 1.585 1.00 0.00 C ATOM 224 CE LYS A 140 14.139 11.777 2.249 1.00 0.00 C ATOM 225 NZ LYS A 140 15.528 12.240 1.978 1.00 0.00 N ATOM 0 H LYS A 140 8.987 9.847 1.565 1.00 0.00 H new ATOM 0 HA LYS A 140 10.169 11.793 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.358 10.035 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 140 12.337 10.594 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.973 12.887 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.522 12.014 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.306 12.727 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 140 13.188 13.681 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 140 13.966 11.759 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 140 14.021 10.755 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 16.204 11.605 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 15.702 12.233 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 15.649 13.206 2.343 1.00 0.00 H new ATOM 239 N ASP A 141 9.937 8.520 -0.457 1.00 0.00 N ATOM 240 CA ASP A 141 9.987 7.370 -1.354 1.00 0.00 C ATOM 241 C ASP A 141 9.426 6.123 -0.676 1.00 0.00 C ATOM 242 O ASP A 141 8.975 6.177 0.468 1.00 0.00 O ATOM 243 CB ASP A 141 11.426 7.116 -1.813 1.00 0.00 C ATOM 244 CG ASP A 141 11.583 7.230 -3.316 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.977 8.148 -3.907 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.312 6.401 -3.901 1.00 0.00 O ATOM 0 H ASP A 141 9.581 8.312 0.476 1.00 0.00 H new ATOM 0 HA ASP A 141 9.370 7.593 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.091 7.829 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.736 6.121 -1.493 1.00 0.00 H new ATOM 251 N TYR A 142 9.459 5.003 -1.390 1.00 0.00 N ATOM 252 CA TYR A 142 8.956 3.741 -0.859 1.00 0.00 C ATOM 253 C TYR A 142 7.483 3.857 -0.475 1.00 0.00 C ATOM 254 O TYR A 142 7.004 3.139 0.403 1.00 0.00 O ATOM 255 CB TYR A 142 9.777 3.311 0.357 1.00 0.00 C ATOM 256 CG TYR A 142 9.891 1.811 0.513 1.00 0.00 C ATOM 257 CD1 TYR A 142 8.899 1.082 1.158 1.00 0.00 C ATOM 258 CD2 TYR A 142 10.992 1.124 0.015 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.001 -0.288 1.301 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.099 -0.246 0.155 1.00 0.00 C ATOM 261 CZ TYR A 142 10.102 -0.948 0.799 1.00 0.00 C ATOM 262 OH TYR A 142 10.207 -2.313 0.941 1.00 0.00 O ATOM 0 H TYR A 142 9.829 4.943 -2.339 1.00 0.00 H new ATOM 0 HA TYR A 142 9.051 2.986 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 142 10.777 3.736 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.324 3.728 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.035 1.595 1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 142 11.776 1.670 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.221 -0.840 1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 142 11.960 -0.765 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 142 11.042 -2.621 0.531 1.00 0.00 H new ATOM 272 N HIS A 143 6.770 4.762 -1.136 1.00 0.00 N ATOM 273 CA HIS A 143 5.354 4.964 -0.857 1.00 0.00 C ATOM 274 C HIS A 143 4.673 5.701 -2.006 1.00 0.00 C ATOM 275 O HIS A 143 3.621 5.279 -2.489 1.00 0.00 O ATOM 276 CB HIS A 143 5.176 5.747 0.443 1.00 0.00 C ATOM 277 CG HIS A 143 5.355 4.914 1.674 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.140 5.302 2.739 1.00 0.00 N ATOM 279 CD2 HIS A 143 4.846 3.704 2.006 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.108 4.367 3.672 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.330 3.387 3.253 1.00 0.00 N ATOM 0 H HIS A 143 7.148 5.365 -1.866 1.00 0.00 H new ATOM 0 HA HIS A 143 4.887 3.985 -0.750 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.892 6.569 0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.181 6.191 0.456 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.664 6.175 2.798 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.183 3.100 1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.630 4.399 4.617 1.00 0.00 H new ATOM 289 N ARG A 144 5.278 6.802 -2.437 1.00 0.00 N ATOM 290 CA ARG A 144 4.730 7.598 -3.529 1.00 0.00 C ATOM 291 C ARG A 144 4.968 6.918 -4.873 1.00 0.00 C ATOM 292 O ARG A 144 4.114 6.956 -5.758 1.00 0.00 O ATOM 293 CB ARG A 144 5.358 8.994 -3.533 1.00 0.00 C ATOM 294 CG ARG A 144 4.445 10.070 -4.101 1.00 0.00 C ATOM 295 CD ARG A 144 4.988 10.632 -5.407 1.00 0.00 C ATOM 296 NE ARG A 144 6.357 11.116 -5.266 1.00 0.00 N ATOM 297 CZ ARG A 144 6.689 12.224 -4.607 1.00 0.00 C ATOM 298 NH1 ARG A 144 5.751 12.966 -4.030 1.00 0.00 N ATOM 299 NH2 ARG A 144 7.960 12.592 -4.524 1.00 0.00 N ATOM 0 H ARG A 144 6.148 7.164 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 144 3.655 7.689 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 144 5.632 9.263 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.280 8.967 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 144 3.451 9.654 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.335 10.876 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 144 4.954 9.860 -6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.348 11.447 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 144 7.104 10.573 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 144 4.772 12.688 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 144 6.010 13.814 -3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 144 8.685 12.026 -4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 144 8.213 13.441 -4.019 1.00 0.00 H new ATOM 313 N ARG A 145 6.134 6.296 -5.018 1.00 0.00 N ATOM 314 CA ARG A 145 6.484 5.607 -6.256 1.00 0.00 C ATOM 315 C ARG A 145 5.631 4.355 -6.443 1.00 0.00 C ATOM 316 O ARG A 145 5.309 3.976 -7.569 1.00 0.00 O ATOM 317 CB ARG A 145 7.970 5.236 -6.252 1.00 0.00 C ATOM 318 CG ARG A 145 8.709 5.674 -7.505 1.00 0.00 C ATOM 319 CD ARG A 145 10.132 5.141 -7.528 1.00 0.00 C ATOM 320 NE ARG A 145 10.209 3.809 -8.125 1.00 0.00 N ATOM 321 CZ ARG A 145 11.236 2.980 -7.958 1.00 0.00 C ATOM 322 NH1 ARG A 145 12.274 3.340 -7.212 1.00 0.00 N ATOM 323 NH2 ARG A 145 11.226 1.787 -8.535 1.00 0.00 N ATOM 0 H ARG A 145 6.852 6.255 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 145 6.288 6.282 -7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.447 5.688 -5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.066 4.156 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.173 5.322 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 145 8.726 6.763 -7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.767 5.827 -8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.522 5.105 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 145 9.429 3.497 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 145 12.287 4.256 -6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 145 13.059 2.700 -7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 145 10.431 1.504 -9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 145 12.014 1.152 -8.407 1.00 0.00 H new ATOM 337 N HIS A 146 5.272 3.720 -5.334 1.00 0.00 N ATOM 338 CA HIS A 146 4.458 2.510 -5.374 1.00 0.00 C ATOM 339 C HIS A 146 2.978 2.830 -5.156 1.00 0.00 C ATOM 340 O HIS A 146 2.117 1.974 -5.356 1.00 0.00 O ATOM 341 CB HIS A 146 4.934 1.515 -4.315 1.00 0.00 C ATOM 342 CG HIS A 146 6.355 1.081 -4.498 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.422 1.954 -4.442 1.00 0.00 N ATOM 344 CD2 HIS A 146 6.883 -0.142 -4.735 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.545 1.285 -4.639 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.246 0.013 -4.819 1.00 0.00 N ATOM 0 H HIS A 146 5.532 4.022 -4.395 1.00 0.00 H new ATOM 0 HA HIS A 146 4.571 2.065 -6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.825 1.966 -3.329 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.289 0.637 -4.337 1.00 0.00 H new ATOM 0 HD2 HIS A 146 6.336 -1.067 -4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.539 1.708 -4.651 1.00 0.00 H new ATOM 0 HE2 HIS A 146 8.918 -0.735 -4.992 1.00 0.00 H new ATOM 354 N LYS A 147 2.689 4.063 -4.745 1.00 0.00 N ATOM 355 CA LYS A 147 1.313 4.484 -4.501 1.00 0.00 C ATOM 356 C LYS A 147 0.711 3.719 -3.328 1.00 0.00 C ATOM 357 O LYS A 147 -0.058 2.777 -3.515 1.00 0.00 O ATOM 358 CB LYS A 147 0.457 4.274 -5.752 1.00 0.00 C ATOM 359 CG LYS A 147 1.101 4.798 -7.025 1.00 0.00 C ATOM 360 CD LYS A 147 0.571 4.079 -8.255 1.00 0.00 C ATOM 361 CE LYS A 147 0.807 4.889 -9.519 1.00 0.00 C ATOM 362 NZ LYS A 147 0.625 4.067 -10.747 1.00 0.00 N ATOM 0 H LYS A 147 3.388 4.786 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 147 1.326 5.546 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.254 3.209 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.504 4.768 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.910 5.867 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.182 4.671 -6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 147 1.057 3.108 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 147 -0.496 3.891 -8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 147 0.119 5.734 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 147 1.816 5.300 -9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 0.795 4.656 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 1.299 3.275 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -0.346 3.695 -10.775 1.00 0.00 H new ATOM 376 N VAL A 148 1.069 4.130 -2.115 1.00 0.00 N ATOM 377 CA VAL A 148 0.565 3.484 -0.909 1.00 0.00 C ATOM 378 C VAL A 148 1.027 4.226 0.341 1.00 0.00 C ATOM 379 O VAL A 148 2.192 4.608 0.453 1.00 0.00 O ATOM 380 CB VAL A 148 1.023 2.014 -0.827 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.543 1.924 -0.776 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.395 1.325 0.375 1.00 0.00 C ATOM 0 H VAL A 148 1.706 4.907 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.523 3.511 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 148 0.687 1.499 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.844 0.878 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 148 2.964 2.374 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.910 2.456 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.730 0.289 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.695 1.840 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.691 1.352 0.284 1.00 0.00 H new ATOM 392 N CYS A 149 0.107 4.425 1.280 1.00 0.00 N ATOM 393 CA CYS A 149 0.423 5.120 2.521 1.00 0.00 C ATOM 394 C CYS A 149 1.251 4.232 3.446 1.00 0.00 C ATOM 395 O CYS A 149 1.730 3.175 3.038 1.00 0.00 O ATOM 396 CB CYS A 149 -0.864 5.565 3.223 1.00 0.00 C ATOM 397 SG CYS A 149 -1.867 4.207 3.870 1.00 0.00 S ATOM 0 H CYS A 149 -0.862 4.115 1.204 1.00 0.00 H new ATOM 0 HA CYS A 149 1.014 6.003 2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.604 6.232 4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.465 6.143 2.521 1.00 0.00 H new ATOM 402 N GLU A 150 1.418 4.670 4.689 1.00 0.00 N ATOM 403 CA GLU A 150 2.193 3.914 5.667 1.00 0.00 C ATOM 404 C GLU A 150 1.356 2.803 6.297 1.00 0.00 C ATOM 405 O GLU A 150 1.887 1.771 6.710 1.00 0.00 O ATOM 406 CB GLU A 150 2.724 4.846 6.757 1.00 0.00 C ATOM 407 CG GLU A 150 4.056 5.493 6.407 1.00 0.00 C ATOM 408 CD GLU A 150 4.065 6.986 6.667 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.672 7.749 5.760 1.00 0.00 O ATOM 410 OE2 GLU A 150 4.468 7.394 7.777 1.00 0.00 O ATOM 0 H GLU A 150 1.028 5.543 5.043 1.00 0.00 H new ATOM 0 HA GLU A 150 3.033 3.455 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 150 1.988 5.628 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 150 2.835 4.282 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.848 5.022 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.280 5.310 5.356 1.00 0.00 H new ATOM 417 N ILE A 151 0.046 3.022 6.371 1.00 0.00 N ATOM 418 CA ILE A 151 -0.859 2.039 6.957 1.00 0.00 C ATOM 419 C ILE A 151 -0.870 0.745 6.146 1.00 0.00 C ATOM 420 O ILE A 151 -0.380 -0.288 6.604 1.00 0.00 O ATOM 421 CB ILE A 151 -2.297 2.587 7.054 1.00 0.00 C ATOM 422 CG1 ILE A 151 -2.302 3.953 7.741 1.00 0.00 C ATOM 423 CG2 ILE A 151 -3.191 1.608 7.804 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.673 3.940 9.117 1.00 0.00 C ATOM 0 H ILE A 151 -0.411 3.869 6.033 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.490 1.829 7.961 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.690 2.707 6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.770 4.668 7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -3.330 4.305 7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -4.202 2.011 7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -3.210 0.655 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.801 1.457 8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.712 4.942 9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -2.219 3.250 9.760 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.634 3.618 9.039 1.00 0.00 H new ATOM 436 N HIS A 152 -1.436 0.807 4.945 1.00 0.00 N ATOM 437 CA HIS A 152 -1.514 -0.361 4.076 1.00 0.00 C ATOM 438 C HIS A 152 -0.122 -0.894 3.744 1.00 0.00 C ATOM 439 O HIS A 152 0.051 -2.086 3.486 1.00 0.00 O ATOM 440 CB HIS A 152 -2.259 -0.016 2.787 1.00 0.00 C ATOM 441 CG HIS A 152 -3.708 0.301 3.004 1.00 0.00 C ATOM 442 ND1 HIS A 152 -4.228 1.572 2.874 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.748 -0.494 3.347 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.523 1.545 3.130 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.864 0.303 3.418 1.00 0.00 N ATOM 0 H HIS A 152 -1.847 1.654 4.552 1.00 0.00 H new ATOM 0 HA HIS A 152 -2.062 -1.138 4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.775 0.838 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -2.178 -0.853 2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.708 -1.557 3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -6.190 2.394 3.108 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.804 -0.014 3.655 1.00 0.00 H new ATOM 452 N SER A 153 0.869 -0.006 3.754 1.00 0.00 N ATOM 453 CA SER A 153 2.243 -0.392 3.454 1.00 0.00 C ATOM 454 C SER A 153 2.729 -1.467 4.422 1.00 0.00 C ATOM 455 O SER A 153 3.562 -2.303 4.070 1.00 0.00 O ATOM 456 CB SER A 153 3.164 0.827 3.522 1.00 0.00 C ATOM 457 OG SER A 153 4.522 0.437 3.634 1.00 0.00 O ATOM 0 H SER A 153 0.745 0.984 3.966 1.00 0.00 H new ATOM 0 HA SER A 153 2.267 -0.800 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.031 1.437 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.889 1.447 4.376 1.00 0.00 H new ATOM 0 HG SER A 153 5.096 1.230 3.578 1.00 0.00 H new ATOM 463 N LYS A 154 2.204 -1.439 5.644 1.00 0.00 N ATOM 464 CA LYS A 154 2.586 -2.412 6.661 1.00 0.00 C ATOM 465 C LYS A 154 1.351 -3.018 7.323 1.00 0.00 C ATOM 466 O LYS A 154 1.349 -3.287 8.524 1.00 0.00 O ATOM 467 CB LYS A 154 3.474 -1.753 7.718 1.00 0.00 C ATOM 468 CG LYS A 154 4.679 -1.033 7.135 1.00 0.00 C ATOM 469 CD LYS A 154 5.225 0.009 8.099 1.00 0.00 C ATOM 470 CE LYS A 154 6.146 -0.617 9.133 1.00 0.00 C ATOM 471 NZ LYS A 154 6.705 0.398 10.068 1.00 0.00 N ATOM 0 H LYS A 154 1.514 -0.754 5.953 1.00 0.00 H new ATOM 0 HA LYS A 154 3.145 -3.211 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 154 2.878 -1.042 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.819 -2.515 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.459 -1.758 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 154 4.399 -0.552 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.768 0.773 7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 154 4.398 0.509 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 154 5.597 -1.369 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 154 6.962 -1.132 8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.328 -0.070 10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.251 1.102 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 5.928 0.873 10.570 1.00 0.00 H new ATOM 485 N ALA A 155 0.306 -3.230 6.531 1.00 0.00 N ATOM 486 CA ALA A 155 -0.933 -3.804 7.040 1.00 0.00 C ATOM 487 C ALA A 155 -1.014 -5.295 6.736 1.00 0.00 C ATOM 488 O ALA A 155 -0.067 -5.885 6.216 1.00 0.00 O ATOM 489 CB ALA A 155 -2.134 -3.077 6.450 1.00 0.00 C ATOM 0 H ALA A 155 0.293 -3.013 5.534 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.943 -3.680 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -3.052 -3.516 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -2.092 -2.023 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -2.119 -3.171 5.364 1.00 0.00 H new ATOM 495 N THR A 156 -2.152 -5.901 7.063 1.00 0.00 N ATOM 496 CA THR A 156 -2.355 -7.324 6.825 1.00 0.00 C ATOM 497 C THR A 156 -3.311 -7.555 5.660 1.00 0.00 C ATOM 498 O THR A 156 -3.164 -8.516 4.904 1.00 0.00 O ATOM 499 CB THR A 156 -2.909 -8.031 8.075 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.772 -7.143 8.799 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.780 -8.496 8.982 1.00 0.00 C ATOM 0 H THR A 156 -2.947 -5.428 7.493 1.00 0.00 H new ATOM 0 HA THR A 156 -1.379 -7.745 6.582 1.00 0.00 H new ATOM 0 HB THR A 156 -3.474 -8.904 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 156 -4.122 -7.601 9.592 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.198 -8.992 9.858 1.00 0.00 H new ATOM 0 HG22 THR A 156 -1.142 -9.193 8.440 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.190 -7.636 9.299 1.00 0.00 H new ATOM 509 N THR A 157 -4.292 -6.669 5.521 1.00 0.00 N ATOM 510 CA THR A 157 -5.272 -6.776 4.447 1.00 0.00 C ATOM 511 C THR A 157 -5.596 -5.406 3.860 1.00 0.00 C ATOM 512 O THR A 157 -6.302 -4.608 4.476 1.00 0.00 O ATOM 513 CB THR A 157 -6.577 -7.431 4.940 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.882 -6.976 6.264 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.456 -8.947 4.935 1.00 0.00 C ATOM 0 H THR A 157 -4.429 -5.869 6.139 1.00 0.00 H new ATOM 0 HA THR A 157 -4.827 -7.404 3.675 1.00 0.00 H new ATOM 0 HB THR A 157 -7.381 -7.144 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 157 -6.801 -6.000 6.301 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.389 -9.388 5.287 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.251 -9.292 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.641 -9.249 5.593 1.00 0.00 H new ATOM 523 N ALA A 158 -5.077 -5.142 2.666 1.00 0.00 N ATOM 524 CA ALA A 158 -5.312 -3.868 1.996 1.00 0.00 C ATOM 525 C ALA A 158 -6.239 -4.039 0.799 1.00 0.00 C ATOM 526 O ALA A 158 -6.056 -4.943 -0.016 1.00 0.00 O ATOM 527 CB ALA A 158 -3.991 -3.250 1.560 1.00 0.00 C ATOM 0 H ALA A 158 -4.491 -5.793 2.142 1.00 0.00 H new ATOM 0 HA ALA A 158 -5.798 -3.198 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.181 -2.300 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.362 -3.082 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.483 -3.926 0.872 1.00 0.00 H new ATOM 533 N LEU A 159 -7.235 -3.165 0.698 1.00 0.00 N ATOM 534 CA LEU A 159 -8.191 -3.218 -0.400 1.00 0.00 C ATOM 535 C LEU A 159 -7.667 -2.460 -1.615 1.00 0.00 C ATOM 536 O LEU A 159 -7.333 -1.279 -1.526 1.00 0.00 O ATOM 537 CB LEU A 159 -9.535 -2.633 0.042 1.00 0.00 C ATOM 538 CG LEU A 159 -10.764 -3.443 -0.375 1.00 0.00 C ATOM 539 CD1 LEU A 159 -10.952 -3.388 -1.883 1.00 0.00 C ATOM 540 CD2 LEU A 159 -10.637 -4.883 0.097 1.00 0.00 C ATOM 0 H LEU A 159 -7.401 -2.411 1.365 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.330 -4.262 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.533 -2.538 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.627 -1.626 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.643 -3.004 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.831 -3.970 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.088 -2.353 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.072 -3.802 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.520 -5.445 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -9.749 -5.334 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -10.551 -4.904 1.183 1.00 0.00 H new ATOM 552 N VAL A 160 -7.593 -3.147 -2.751 1.00 0.00 N ATOM 553 CA VAL A 160 -7.108 -2.534 -3.982 1.00 0.00 C ATOM 554 C VAL A 160 -7.716 -3.208 -5.207 1.00 0.00 C ATOM 555 O VAL A 160 -7.407 -4.360 -5.512 1.00 0.00 O ATOM 556 CB VAL A 160 -5.572 -2.604 -4.081 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.075 -1.769 -5.251 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.931 -2.148 -2.780 1.00 0.00 C ATOM 0 H VAL A 160 -7.862 -4.126 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.414 -1.488 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.284 -3.641 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.988 -1.830 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.507 -2.147 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.373 -0.730 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.846 -2.205 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.225 -1.119 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.262 -2.793 -1.966 1.00 0.00 H new ATOM 568 N GLY A 161 -8.579 -2.481 -5.909 1.00 0.00 N ATOM 569 CA GLY A 161 -9.214 -3.025 -7.095 1.00 0.00 C ATOM 570 C GLY A 161 -10.292 -4.039 -6.762 1.00 0.00 C ATOM 571 O GLY A 161 -10.516 -4.985 -7.517 1.00 0.00 O ATOM 0 H GLY A 161 -8.850 -1.525 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.651 -2.212 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.459 -3.496 -7.724 1.00 0.00 H new ATOM 575 N GLY A 162 -10.960 -3.839 -5.632 1.00 0.00 N ATOM 576 CA GLY A 162 -12.012 -4.750 -5.220 1.00 0.00 C ATOM 577 C GLY A 162 -11.478 -6.042 -4.627 1.00 0.00 C ATOM 578 O GLY A 162 -12.251 -6.935 -4.278 1.00 0.00 O ATOM 0 H GLY A 162 -10.792 -3.062 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.647 -4.255 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.640 -4.983 -6.079 1.00 0.00 H new ATOM 582 N ILE A 163 -10.156 -6.146 -4.512 1.00 0.00 N ATOM 583 CA ILE A 163 -9.532 -7.342 -3.956 1.00 0.00 C ATOM 584 C ILE A 163 -8.547 -6.980 -2.848 1.00 0.00 C ATOM 585 O ILE A 163 -8.063 -5.850 -2.779 1.00 0.00 O ATOM 586 CB ILE A 163 -8.791 -8.147 -5.043 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.708 -8.401 -6.240 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.281 -9.462 -4.473 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.006 -8.285 -7.575 1.00 0.00 C ATOM 0 H ILE A 163 -9.499 -5.419 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.333 -7.956 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 163 -7.936 -7.563 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.140 -9.398 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.535 -7.692 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -7.760 -10.019 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.594 -9.260 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.122 -10.051 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.717 -8.478 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.598 -7.280 -7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.196 -9.013 -7.625 1.00 0.00 H new ATOM 601 N MET A 164 -8.256 -7.947 -1.984 1.00 0.00 N ATOM 602 CA MET A 164 -7.329 -7.730 -0.879 1.00 0.00 C ATOM 603 C MET A 164 -5.909 -8.119 -1.277 1.00 0.00 C ATOM 604 O MET A 164 -5.696 -8.747 -2.315 1.00 0.00 O ATOM 605 CB MET A 164 -7.767 -8.530 0.348 1.00 0.00 C ATOM 606 CG MET A 164 -8.691 -7.761 1.278 1.00 0.00 C ATOM 607 SD MET A 164 -9.655 -8.844 2.351 1.00 0.00 S ATOM 608 CE MET A 164 -11.296 -8.160 2.134 1.00 0.00 C ATOM 0 H MET A 164 -8.648 -8.888 -2.027 1.00 0.00 H new ATOM 0 HA MET A 164 -7.339 -6.668 -0.632 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.271 -9.438 0.018 1.00 0.00 H new ATOM 0 HB3 MET A 164 -6.882 -8.840 0.904 1.00 0.00 H new ATOM 0 HG2 MET A 164 -8.099 -7.081 1.891 1.00 0.00 H new ATOM 0 HG3 MET A 164 -9.369 -7.147 0.685 1.00 0.00 H new ATOM 0 HE1 MET A 164 -12.008 -8.724 2.736 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.300 -7.117 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.580 -8.222 1.083 1.00 0.00 H new ATOM 618 N GLN A 165 -4.942 -7.746 -0.445 1.00 0.00 N ATOM 619 CA GLN A 165 -3.543 -8.058 -0.711 1.00 0.00 C ATOM 620 C GLN A 165 -2.660 -7.646 0.462 1.00 0.00 C ATOM 621 O GLN A 165 -3.142 -7.097 1.452 1.00 0.00 O ATOM 622 CB GLN A 165 -3.076 -7.353 -1.986 1.00 0.00 C ATOM 623 CG GLN A 165 -3.474 -5.888 -2.051 1.00 0.00 C ATOM 624 CD GLN A 165 -4.687 -5.651 -2.929 1.00 0.00 C ATOM 625 OE1 GLN A 165 -5.703 -5.123 -2.477 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.588 -6.044 -4.194 1.00 0.00 N ATOM 0 H GLN A 165 -5.102 -7.227 0.419 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.457 -9.136 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -1.991 -7.430 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -3.490 -7.872 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -3.683 -5.527 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -2.636 -5.304 -2.431 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -3.727 -6.478 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.373 -5.912 -4.832 1.00 0.00 H new ATOM 635 N ARG A 166 -1.363 -7.912 0.342 1.00 0.00 N ATOM 636 CA ARG A 166 -0.412 -7.568 1.392 1.00 0.00 C ATOM 637 C ARG A 166 0.849 -6.947 0.802 1.00 0.00 C ATOM 638 O ARG A 166 1.489 -7.531 -0.073 1.00 0.00 O ATOM 639 CB ARG A 166 -0.048 -8.812 2.207 1.00 0.00 C ATOM 640 CG ARG A 166 0.428 -8.498 3.616 1.00 0.00 C ATOM 641 CD ARG A 166 0.511 -9.754 4.470 1.00 0.00 C ATOM 642 NE ARG A 166 1.750 -9.812 5.242 1.00 0.00 N ATOM 643 CZ ARG A 166 1.925 -10.590 6.306 1.00 0.00 C ATOM 644 NH1 ARG A 166 0.944 -11.379 6.731 1.00 0.00 N ATOM 645 NH2 ARG A 166 3.085 -10.583 6.950 1.00 0.00 N ATOM 0 H ARG A 166 -0.947 -8.365 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 166 -0.883 -6.836 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.918 -9.466 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.733 -9.364 1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 166 1.407 -8.021 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.253 -7.785 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -0.341 -9.787 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 166 0.442 -10.633 3.829 1.00 0.00 H new ATOM 0 HE ARG A 166 2.527 -9.221 4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 166 0.050 -11.390 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 166 1.085 -11.973 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.843 -9.981 6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.219 -11.180 7.766 1.00 0.00 H new ATOM 659 N PHE A 167 1.199 -5.760 1.283 1.00 0.00 N ATOM 660 CA PHE A 167 2.383 -5.058 0.802 1.00 0.00 C ATOM 661 C PHE A 167 3.648 -5.856 1.102 1.00 0.00 C ATOM 662 O PHE A 167 3.987 -6.090 2.261 1.00 0.00 O ATOM 663 CB PHE A 167 2.478 -3.673 1.442 1.00 0.00 C ATOM 664 CG PHE A 167 3.515 -2.788 0.810 1.00 0.00 C ATOM 665 CD1 PHE A 167 4.824 -2.802 1.259 1.00 0.00 C ATOM 666 CD2 PHE A 167 3.177 -1.942 -0.235 1.00 0.00 C ATOM 667 CE1 PHE A 167 5.780 -1.990 0.680 1.00 0.00 C ATOM 668 CE2 PHE A 167 4.129 -1.127 -0.819 1.00 0.00 C ATOM 669 CZ PHE A 167 5.432 -1.152 -0.361 1.00 0.00 C ATOM 0 H PHE A 167 0.679 -5.263 2.006 1.00 0.00 H new ATOM 0 HA PHE A 167 2.292 -4.945 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.506 -3.184 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.706 -3.787 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 167 5.102 -3.456 2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 167 2.160 -1.919 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 167 6.798 -2.011 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 167 3.854 -0.472 -1.632 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.178 -0.517 -0.816 1.00 0.00 H new ATOM 679 N CYS A 168 4.343 -6.270 0.048 1.00 0.00 N ATOM 680 CA CYS A 168 5.572 -7.041 0.197 1.00 0.00 C ATOM 681 C CYS A 168 6.792 -6.123 0.194 1.00 0.00 C ATOM 682 O CYS A 168 6.925 -5.257 -0.669 1.00 0.00 O ATOM 683 CB CYS A 168 5.693 -8.074 -0.924 1.00 0.00 C ATOM 684 SG CYS A 168 6.318 -9.681 -0.384 1.00 0.00 S ATOM 0 H CYS A 168 4.076 -6.085 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 168 5.531 -7.561 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.714 -8.213 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.354 -7.680 -1.696 1.00 0.00 H new ATOM 0 HG CYS A 168 6.382 -10.486 -1.403 1.00 0.00 H new ATOM 690 N GLN A 169 7.677 -6.321 1.164 1.00 0.00 N ATOM 691 CA GLN A 169 8.885 -5.512 1.273 1.00 0.00 C ATOM 692 C GLN A 169 9.983 -6.042 0.355 1.00 0.00 C ATOM 693 O GLN A 169 10.818 -5.282 -0.136 1.00 0.00 O ATOM 694 CB GLN A 169 9.382 -5.491 2.720 1.00 0.00 C ATOM 695 CG GLN A 169 8.874 -4.302 3.519 1.00 0.00 C ATOM 696 CD GLN A 169 7.516 -4.555 4.142 1.00 0.00 C ATOM 697 OE1 GLN A 169 6.520 -3.943 3.755 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.469 -5.460 5.111 1.00 0.00 N ATOM 0 H GLN A 169 7.581 -7.035 1.886 1.00 0.00 H new ATOM 0 HA GLN A 169 8.638 -4.496 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.072 -6.411 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.472 -5.480 2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.591 -4.064 4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 169 8.814 -3.430 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 169 8.320 -5.943 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 169 6.582 -5.673 5.567 1.00 0.00 H new ATOM 707 N GLN A 170 9.975 -7.351 0.126 1.00 0.00 N ATOM 708 CA GLN A 170 10.970 -7.983 -0.732 1.00 0.00 C ATOM 709 C GLN A 170 10.575 -7.865 -2.202 1.00 0.00 C ATOM 710 O GLN A 170 11.352 -7.383 -3.026 1.00 0.00 O ATOM 711 CB GLN A 170 11.137 -9.457 -0.355 1.00 0.00 C ATOM 712 CG GLN A 170 12.481 -10.041 -0.761 1.00 0.00 C ATOM 713 CD GLN A 170 12.920 -11.174 0.146 1.00 0.00 C ATOM 714 OE1 GLN A 170 12.218 -11.538 1.090 1.00 0.00 O ATOM 715 NE2 GLN A 170 14.091 -11.736 -0.134 1.00 0.00 N ATOM 0 H GLN A 170 9.290 -7.995 0.523 1.00 0.00 H new ATOM 0 HA GLN A 170 11.919 -7.467 -0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 170 11.015 -9.564 0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 170 10.342 -10.036 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 170 12.421 -10.404 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 170 13.235 -9.254 -0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 170 14.640 -11.403 -0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.441 -12.501 0.443 1.00 0.00 H new ATOM 724 N CYS A 171 9.365 -8.311 -2.522 1.00 0.00 N ATOM 725 CA CYS A 171 8.867 -8.256 -3.893 1.00 0.00 C ATOM 726 C CYS A 171 8.411 -6.844 -4.259 1.00 0.00 C ATOM 727 O CYS A 171 8.314 -6.503 -5.437 1.00 0.00 O ATOM 728 CB CYS A 171 7.711 -9.241 -4.078 1.00 0.00 C ATOM 729 SG CYS A 171 7.675 -10.039 -5.698 1.00 0.00 S ATOM 0 H CYS A 171 8.711 -8.715 -1.852 1.00 0.00 H new ATOM 0 HA CYS A 171 9.685 -8.534 -4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 171 7.776 -10.009 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.770 -8.713 -3.924 1.00 0.00 H new ATOM 0 HG CYS A 171 6.557 -10.687 -5.838 1.00 0.00 H new ATOM 735 N SER A 172 8.131 -6.030 -3.246 1.00 0.00 N ATOM 736 CA SER A 172 7.683 -4.659 -3.467 1.00 0.00 C ATOM 737 C SER A 172 6.315 -4.635 -4.140 1.00 0.00 C ATOM 738 O SER A 172 5.868 -5.638 -4.696 1.00 0.00 O ATOM 739 CB SER A 172 8.699 -3.896 -4.321 1.00 0.00 C ATOM 740 OG SER A 172 10.007 -4.019 -3.790 1.00 0.00 O ATOM 0 H SER A 172 8.206 -6.296 -2.264 1.00 0.00 H new ATOM 0 HA SER A 172 7.599 -4.172 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.680 -4.278 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.420 -2.843 -4.369 1.00 0.00 H new ATOM 0 HG SER A 172 10.637 -3.524 -4.355 1.00 0.00 H new ATOM 746 N ARG A 173 5.652 -3.484 -4.085 1.00 0.00 N ATOM 747 CA ARG A 173 4.334 -3.330 -4.689 1.00 0.00 C ATOM 748 C ARG A 173 3.324 -4.271 -4.038 1.00 0.00 C ATOM 749 O ARG A 173 3.699 -5.197 -3.318 1.00 0.00 O ATOM 750 CB ARG A 173 4.402 -3.599 -6.194 1.00 0.00 C ATOM 751 CG ARG A 173 4.668 -2.353 -7.022 1.00 0.00 C ATOM 752 CD ARG A 173 4.558 -2.641 -8.511 1.00 0.00 C ATOM 753 NE ARG A 173 5.672 -3.453 -8.995 1.00 0.00 N ATOM 754 CZ ARG A 173 5.788 -3.875 -10.253 1.00 0.00 C ATOM 755 NH1 ARG A 173 4.864 -3.565 -11.154 1.00 0.00 N ATOM 756 NH2 ARG A 173 6.834 -4.610 -10.610 1.00 0.00 N ATOM 0 H ARG A 173 6.007 -2.644 -3.628 1.00 0.00 H new ATOM 0 HA ARG A 173 4.006 -2.303 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.187 -4.330 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.462 -4.047 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 173 3.957 -1.574 -6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 173 5.663 -1.970 -6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 173 3.619 -3.157 -8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.529 -1.700 -9.061 1.00 0.00 H new ATOM 0 HE ARG A 173 6.403 -3.711 -8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 173 4.059 -3.000 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 173 4.959 -3.892 -12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 173 7.547 -4.851 -9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 173 6.925 -4.934 -11.573 1.00 0.00 H new ATOM 770 N PHE A 174 2.044 -4.027 -4.295 1.00 0.00 N ATOM 771 CA PHE A 174 0.980 -4.852 -3.732 1.00 0.00 C ATOM 772 C PHE A 174 0.990 -6.248 -4.351 1.00 0.00 C ATOM 773 O PHE A 174 1.476 -6.439 -5.465 1.00 0.00 O ATOM 774 CB PHE A 174 -0.380 -4.190 -3.955 1.00 0.00 C ATOM 775 CG PHE A 174 -0.737 -3.181 -2.902 1.00 0.00 C ATOM 776 CD1 PHE A 174 -0.611 -3.490 -1.558 1.00 0.00 C ATOM 777 CD2 PHE A 174 -1.199 -1.923 -3.257 1.00 0.00 C ATOM 778 CE1 PHE A 174 -0.939 -2.563 -0.586 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.527 -0.993 -2.291 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.398 -1.313 -0.953 1.00 0.00 C ATOM 0 H PHE A 174 1.717 -3.265 -4.889 1.00 0.00 H new ATOM 0 HA PHE A 174 1.156 -4.948 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.382 -3.702 -4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.150 -4.961 -3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.253 -4.466 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -1.303 -1.668 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -0.836 -2.816 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.884 -0.016 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.656 -0.587 -0.196 1.00 0.00 H new ATOM 790 N HIS A 175 0.450 -7.217 -3.620 1.00 0.00 N ATOM 791 CA HIS A 175 0.395 -8.594 -4.096 1.00 0.00 C ATOM 792 C HIS A 175 -0.890 -9.278 -3.643 1.00 0.00 C ATOM 793 O HIS A 175 -1.140 -9.422 -2.446 1.00 0.00 O ATOM 794 CB HIS A 175 1.609 -9.377 -3.592 1.00 0.00 C ATOM 795 CG HIS A 175 2.810 -9.254 -4.477 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.727 -9.172 -5.851 1.00 0.00 N ATOM 797 CD2 HIS A 175 4.129 -9.198 -4.177 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.944 -9.074 -6.358 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.812 -9.085 -5.364 1.00 0.00 N ATOM 0 H HIS A 175 0.044 -7.074 -2.695 1.00 0.00 H new ATOM 0 HA HIS A 175 0.408 -8.576 -5.186 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.867 -9.027 -2.592 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.340 -10.430 -3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 175 4.563 -9.235 -3.189 1.00 0.00 H new ATOM 0 HE1 HIS A 175 4.187 -8.998 -7.408 1.00 0.00 H new ATOM 0 HE2 HIS A 175 5.825 -9.020 -5.461 1.00 0.00 H new ATOM 807 N VAL A 176 -1.703 -9.698 -4.607 1.00 0.00 N ATOM 808 CA VAL A 176 -2.966 -10.365 -4.311 1.00 0.00 C ATOM 809 C VAL A 176 -2.755 -11.570 -3.397 1.00 0.00 C ATOM 810 O VAL A 176 -1.672 -12.155 -3.364 1.00 0.00 O ATOM 811 CB VAL A 176 -3.674 -10.824 -5.600 1.00 0.00 C ATOM 812 CG1 VAL A 176 -2.821 -11.838 -6.351 1.00 0.00 C ATOM 813 CG2 VAL A 176 -5.045 -11.402 -5.284 1.00 0.00 C ATOM 0 H VAL A 176 -1.509 -9.588 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.596 -9.636 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.812 -9.954 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -3.340 -12.149 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -1.866 -11.385 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -2.646 -12.707 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -5.528 -11.720 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -4.934 -12.259 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -5.657 -10.642 -4.798 1.00 0.00 H new ATOM 823 N LEU A 177 -3.798 -11.935 -2.658 1.00 0.00 N ATOM 824 CA LEU A 177 -3.730 -13.067 -1.743 1.00 0.00 C ATOM 825 C LEU A 177 -3.686 -14.384 -2.510 1.00 0.00 C ATOM 826 O LEU A 177 -4.519 -14.639 -3.379 1.00 0.00 O ATOM 827 CB LEU A 177 -4.929 -13.057 -0.793 1.00 0.00 C ATOM 828 CG LEU A 177 -5.157 -11.738 -0.051 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.504 -11.748 0.652 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.035 -11.490 0.946 1.00 0.00 C ATOM 0 H LEU A 177 -4.701 -11.462 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.814 -12.975 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.827 -13.295 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.798 -13.851 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.157 -10.927 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.649 -10.802 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.297 -11.882 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.533 -12.567 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.212 -10.548 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -4.005 -12.304 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.083 -11.440 0.417 1.00 0.00 H new ATOM 842 N GLU A 178 -2.705 -15.212 -2.179 1.00 0.00 N ATOM 843 CA GLU A 178 -2.538 -16.507 -2.829 1.00 0.00 C ATOM 844 C GLU A 178 -1.452 -17.321 -2.133 1.00 0.00 C ATOM 845 O GLU A 178 -0.321 -17.400 -2.610 1.00 0.00 O ATOM 846 CB GLU A 178 -2.187 -16.320 -4.306 1.00 0.00 C ATOM 847 CG GLU A 178 -3.398 -16.329 -5.226 1.00 0.00 C ATOM 848 CD GLU A 178 -3.099 -16.946 -6.577 1.00 0.00 C ATOM 849 OE1 GLU A 178 -2.392 -16.302 -7.382 1.00 0.00 O ATOM 850 OE2 GLU A 178 -3.570 -18.075 -6.831 1.00 0.00 O ATOM 0 H GLU A 178 -2.009 -15.010 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 178 -3.480 -17.050 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -1.656 -15.376 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -1.503 -17.112 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.208 -16.882 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -3.750 -15.307 -5.367 1.00 0.00 H new ATOM 857 N GLU A 179 -1.803 -17.920 -0.999 1.00 0.00 N ATOM 858 CA GLU A 179 -0.858 -18.725 -0.232 1.00 0.00 C ATOM 859 C GLU A 179 0.219 -17.845 0.394 1.00 0.00 C ATOM 860 O GLU A 179 1.377 -18.246 0.504 1.00 0.00 O ATOM 861 CB GLU A 179 -0.211 -19.790 -1.121 1.00 0.00 C ATOM 862 CG GLU A 179 0.045 -21.106 -0.406 1.00 0.00 C ATOM 863 CD GLU A 179 1.503 -21.522 -0.449 1.00 0.00 C ATOM 864 OE1 GLU A 179 2.375 -20.645 -0.281 1.00 0.00 O ATOM 865 OE2 GLU A 179 1.772 -22.725 -0.651 1.00 0.00 O ATOM 0 H GLU A 179 -2.736 -17.863 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 179 -1.410 -19.221 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -0.855 -19.973 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.734 -19.405 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -0.273 -21.018 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -0.565 -21.887 -0.861 1.00 0.00 H new ATOM 872 N PHE A 180 -0.173 -16.641 0.803 1.00 0.00 N ATOM 873 CA PHE A 180 0.758 -15.702 1.419 1.00 0.00 C ATOM 874 C PHE A 180 0.882 -15.962 2.918 1.00 0.00 C ATOM 875 O PHE A 180 1.934 -15.731 3.512 1.00 0.00 O ATOM 876 CB PHE A 180 0.297 -14.262 1.176 1.00 0.00 C ATOM 877 CG PHE A 180 0.660 -13.737 -0.183 1.00 0.00 C ATOM 878 CD1 PHE A 180 0.351 -14.459 -1.322 1.00 0.00 C ATOM 879 CD2 PHE A 180 1.310 -12.521 -0.320 1.00 0.00 C ATOM 880 CE1 PHE A 180 0.684 -13.982 -2.575 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.646 -12.038 -1.571 1.00 0.00 C ATOM 882 CZ PHE A 180 1.332 -12.769 -2.700 1.00 0.00 C ATOM 0 H PHE A 180 -1.128 -16.294 0.719 1.00 0.00 H new ATOM 0 HA PHE A 180 1.737 -15.846 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.785 -14.210 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 180 0.736 -13.615 1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 180 -0.157 -15.408 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 180 1.557 -11.945 0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 180 0.438 -14.557 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 180 2.154 -11.090 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 180 1.593 -12.393 -3.678 1.00 0.00 H new ATOM 892 N ASP A 181 -0.201 -16.443 3.521 1.00 0.00 N ATOM 893 CA ASP A 181 -0.212 -16.734 4.951 1.00 0.00 C ATOM 894 C ASP A 181 -0.927 -18.052 5.232 1.00 0.00 C ATOM 895 O ASP A 181 -1.327 -18.726 4.258 1.00 0.00 O ATOM 896 CB ASP A 181 -0.890 -15.599 5.718 1.00 0.00 C ATOM 897 CG ASP A 181 -0.155 -14.281 5.571 1.00 0.00 C ATOM 898 OD1 ASP A 181 -0.374 -13.588 4.555 1.00 0.00 O ATOM 899 OD2 ASP A 181 0.642 -13.942 6.471 1.00 0.00 O ATOM 900 OXT ASP A 181 -1.081 -18.398 6.421 1.00 0.00 O ATOM 0 H ASP A 181 -1.080 -16.639 3.043 1.00 0.00 H new ATOM 0 HA ASP A 181 0.821 -16.823 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 181 -1.913 -15.483 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -0.950 -15.863 6.774 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.776 3.610 2.423 1.00 0.00 ZN