USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 130:sc= 0.438 USER MOD Single : A 98 SER OG : rot -159:sc= 0.914 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 105 MET CE :methyl 160:sc= -3.8! (180deg=-4.85!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -129:sc= 0.776 USER MOD Single : A 131 ASN : amide:sc= -2.86 K(o=-2.9,f=-8.9!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.388 -1.356 1.061 1.00 0.00 N ATOM 40 CA ILE A 81 10.200 -1.923 0.362 1.00 0.00 C ATOM 41 C ILE A 81 8.946 -1.164 0.799 1.00 0.00 C ATOM 42 O ILE A 81 7.937 -1.760 1.094 1.00 0.00 O ATOM 43 CB ILE A 81 10.156 -3.412 0.804 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.061 -4.221 0.050 1.00 0.00 C ATOM 45 CG2 ILE A 81 9.891 -3.511 2.311 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.037 -3.856 -1.441 1.00 0.00 C ATOM 0 HA ILE A 81 10.253 -1.838 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 81 11.128 -3.840 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.249 -5.289 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.086 -4.020 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.863 -4.560 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.687 -3.002 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.935 -3.042 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.263 -4.435 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.825 -2.793 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.006 -4.081 -1.886 1.00 0.00 H new ATOM 58 N ILE A 82 9.002 0.147 0.853 1.00 0.00 N ATOM 59 CA ILE A 82 7.792 0.913 1.288 1.00 0.00 C ATOM 60 C ILE A 82 7.192 1.652 0.100 1.00 0.00 C ATOM 61 O ILE A 82 7.846 1.856 -0.899 1.00 0.00 O ATOM 62 CB ILE A 82 8.278 1.902 2.354 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.858 1.110 3.530 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.103 2.774 2.845 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.638 2.044 4.460 1.00 0.00 C ATOM 0 H ILE A 82 9.819 0.711 0.619 1.00 0.00 H new ATOM 0 HA ILE A 82 7.017 0.258 1.686 1.00 0.00 H new ATOM 0 HB ILE A 82 9.041 2.553 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.054 0.623 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.514 0.322 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.460 3.473 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.687 3.330 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.331 2.136 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.046 1.471 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.453 2.511 3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.971 2.816 4.843 1.00 0.00 H new ATOM 77 N VAL A 83 5.959 2.060 0.209 1.00 0.00 N ATOM 78 CA VAL A 83 5.309 2.800 -0.912 1.00 0.00 C ATOM 79 C VAL A 83 4.467 3.960 -0.376 1.00 0.00 C ATOM 80 O VAL A 83 4.171 4.045 0.801 1.00 0.00 O ATOM 81 CB VAL A 83 4.381 1.800 -1.617 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.189 0.735 -2.355 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.458 1.118 -0.600 1.00 0.00 C ATOM 0 H VAL A 83 5.370 1.913 1.029 1.00 0.00 H new ATOM 0 HA VAL A 83 6.063 3.208 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 83 3.781 2.354 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.510 0.038 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.823 1.212 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.812 0.193 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.807 0.412 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.059 0.585 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.851 1.871 -0.097 1.00 0.00 H new ATOM 93 N VAL A 84 4.051 4.831 -1.253 1.00 0.00 N ATOM 94 CA VAL A 84 3.190 5.971 -0.844 1.00 0.00 C ATOM 95 C VAL A 84 1.983 6.020 -1.787 1.00 0.00 C ATOM 96 O VAL A 84 2.137 6.087 -2.997 1.00 0.00 O ATOM 97 CB VAL A 84 4.070 7.237 -0.953 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.279 7.646 -2.415 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.387 8.393 -0.223 1.00 0.00 C ATOM 0 H VAL A 84 4.275 4.799 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 84 2.808 5.882 0.173 1.00 0.00 H new ATOM 0 HB VAL A 84 5.038 7.012 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.902 8.540 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.770 6.835 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.314 7.855 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.006 9.287 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.414 8.585 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.253 8.132 0.827 1.00 0.00 H new ATOM 109 N ALA A 85 0.793 5.965 -1.257 1.00 0.00 N ATOM 110 CA ALA A 85 -0.403 5.999 -2.140 1.00 0.00 C ATOM 111 C ALA A 85 -0.526 7.379 -2.770 1.00 0.00 C ATOM 112 O ALA A 85 -0.631 8.380 -2.078 1.00 0.00 O ATOM 113 CB ALA A 85 -1.599 5.718 -1.238 1.00 0.00 C ATOM 0 H ALA A 85 0.599 5.898 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.339 5.268 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.513 5.730 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.481 4.740 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.659 6.483 -0.464 1.00 0.00 H new ATOM 119 N LEU A 86 -0.519 7.427 -4.079 1.00 0.00 N ATOM 120 CA LEU A 86 -0.631 8.731 -4.794 1.00 0.00 C ATOM 121 C LEU A 86 -2.088 9.027 -5.154 1.00 0.00 C ATOM 122 O LEU A 86 -2.379 10.044 -5.749 1.00 0.00 O ATOM 123 CB LEU A 86 0.184 8.549 -6.078 1.00 0.00 C ATOM 124 CG LEU A 86 1.643 8.249 -5.732 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.313 7.558 -6.922 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.374 9.557 -5.428 1.00 0.00 C ATOM 0 H LEU A 86 -0.440 6.611 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.274 9.558 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.233 7.735 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.124 9.451 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 86 1.684 7.598 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.353 7.343 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.792 6.627 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.272 8.212 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.414 9.344 -5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.334 10.208 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.895 10.054 -4.584 1.00 0.00 H new ATOM 138 N TYR A 87 -3.008 8.150 -4.810 1.00 0.00 N ATOM 139 CA TYR A 87 -4.450 8.394 -5.138 1.00 0.00 C ATOM 140 C TYR A 87 -5.324 7.703 -4.090 1.00 0.00 C ATOM 141 O TYR A 87 -4.934 6.712 -3.503 1.00 0.00 O ATOM 142 CB TYR A 87 -4.686 7.791 -6.533 1.00 0.00 C ATOM 143 CG TYR A 87 -3.680 8.351 -7.512 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.856 9.635 -8.038 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.553 7.596 -7.863 1.00 0.00 C ATOM 146 CE1 TYR A 87 -2.907 10.164 -8.920 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.602 8.127 -8.741 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.778 9.411 -9.271 1.00 0.00 C ATOM 149 OH TYR A 87 -0.839 9.937 -10.136 1.00 0.00 O ATOM 0 H TYR A 87 -2.820 7.277 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.700 9.455 -5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.598 6.705 -6.489 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.698 8.016 -6.870 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.723 10.217 -7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.419 6.605 -7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.045 11.153 -9.331 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.732 7.546 -9.010 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.119 9.286 -10.273 1.00 0.00 H new ATOM 159 N ASP A 88 -6.494 8.228 -3.841 1.00 0.00 N ATOM 160 CA ASP A 88 -7.395 7.609 -2.818 1.00 0.00 C ATOM 161 C ASP A 88 -7.883 6.238 -3.303 1.00 0.00 C ATOM 162 O ASP A 88 -8.097 6.037 -4.483 1.00 0.00 O ATOM 163 CB ASP A 88 -8.576 8.569 -2.674 1.00 0.00 C ATOM 164 CG ASP A 88 -8.085 9.915 -2.137 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.305 9.908 -1.201 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.501 10.930 -2.672 1.00 0.00 O ATOM 0 H ASP A 88 -6.867 9.059 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.882 7.454 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.064 8.708 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.320 8.147 -1.998 1.00 0.00 H new ATOM 171 N TYR A 89 -8.070 5.294 -2.406 1.00 0.00 N ATOM 172 CA TYR A 89 -8.558 3.938 -2.838 1.00 0.00 C ATOM 173 C TYR A 89 -9.311 3.237 -1.702 1.00 0.00 C ATOM 174 O TYR A 89 -8.861 3.203 -0.573 1.00 0.00 O ATOM 175 CB TYR A 89 -7.304 3.151 -3.207 1.00 0.00 C ATOM 176 CG TYR A 89 -7.707 1.873 -3.901 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.352 1.926 -5.144 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.455 0.637 -3.295 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.744 0.740 -5.779 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.844 -0.548 -3.932 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.490 -0.496 -5.172 1.00 0.00 C ATOM 182 OH TYR A 89 -8.878 -1.664 -5.798 1.00 0.00 O ATOM 0 H TYR A 89 -7.908 5.400 -1.405 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.254 4.014 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.665 3.747 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.725 2.926 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.547 2.880 -5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.960 0.597 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.242 0.779 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.645 -1.502 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.121 -2.286 -5.829 1.00 0.00 H new ATOM 192 N GLU A 90 -10.461 2.687 -2.003 1.00 0.00 N ATOM 193 CA GLU A 90 -11.277 1.996 -0.957 1.00 0.00 C ATOM 194 C GLU A 90 -11.123 0.469 -1.034 1.00 0.00 C ATOM 195 O GLU A 90 -11.210 -0.122 -2.095 1.00 0.00 O ATOM 196 CB GLU A 90 -12.713 2.403 -1.280 1.00 0.00 C ATOM 197 CG GLU A 90 -12.940 3.856 -0.853 1.00 0.00 C ATOM 198 CD GLU A 90 -14.376 4.030 -0.356 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.246 3.340 -0.862 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.582 4.852 0.519 1.00 0.00 O ATOM 0 H GLU A 90 -10.873 2.687 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.968 2.274 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.902 2.293 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.413 1.747 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.237 4.128 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.752 4.525 -1.693 1.00 0.00 H new ATOM 207 N ALA A 91 -10.910 -0.172 0.093 1.00 0.00 N ATOM 208 CA ALA A 91 -10.764 -1.666 0.108 1.00 0.00 C ATOM 209 C ALA A 91 -12.005 -2.329 -0.498 1.00 0.00 C ATOM 210 O ALA A 91 -12.874 -1.660 -1.025 1.00 0.00 O ATOM 211 CB ALA A 91 -10.641 -2.040 1.587 1.00 0.00 C ATOM 0 H ALA A 91 -10.831 0.276 1.006 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.904 -1.997 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.531 -3.120 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.768 -1.547 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.537 -1.719 2.119 1.00 0.00 H new ATOM 285 N ASP A 96 -7.379 -6.549 2.738 1.00 0.00 N ATOM 286 CA ASP A 96 -7.203 -5.295 1.924 1.00 0.00 C ATOM 287 C ASP A 96 -7.489 -4.026 2.753 1.00 0.00 C ATOM 288 O ASP A 96 -8.284 -4.043 3.673 1.00 0.00 O ATOM 289 CB ASP A 96 -8.180 -5.415 0.747 1.00 0.00 C ATOM 290 CG ASP A 96 -9.593 -5.712 1.247 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.000 -5.106 2.226 1.00 0.00 O ATOM 292 OD2 ASP A 96 -10.241 -6.544 0.637 1.00 0.00 O ATOM 0 HA ASP A 96 -6.172 -5.198 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.179 -4.489 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.852 -6.208 0.075 1.00 0.00 H new ATOM 297 N LEU A 97 -6.816 -2.941 2.450 1.00 0.00 N ATOM 298 CA LEU A 97 -7.007 -1.682 3.233 1.00 0.00 C ATOM 299 C LEU A 97 -7.258 -0.482 2.314 1.00 0.00 C ATOM 300 O LEU A 97 -6.817 -0.451 1.181 1.00 0.00 O ATOM 301 CB LEU A 97 -5.676 -1.498 3.963 1.00 0.00 C ATOM 302 CG LEU A 97 -5.799 -0.382 5.016 1.00 0.00 C ATOM 303 CD1 LEU A 97 -5.465 -0.940 6.402 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.819 0.747 4.683 1.00 0.00 C ATOM 0 H LEU A 97 -6.139 -2.875 1.690 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.867 -1.745 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.384 -2.432 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.892 -1.249 3.248 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.819 0.001 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.553 -0.147 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.158 -1.745 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.446 -1.326 6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.907 1.537 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.801 0.357 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.051 1.151 3.698 1.00 0.00 H new ATOM 316 N SER A 98 -7.942 0.517 2.814 1.00 0.00 N ATOM 317 CA SER A 98 -8.206 1.736 1.998 1.00 0.00 C ATOM 318 C SER A 98 -7.207 2.831 2.367 1.00 0.00 C ATOM 319 O SER A 98 -7.190 3.325 3.477 1.00 0.00 O ATOM 320 CB SER A 98 -9.617 2.168 2.367 1.00 0.00 C ATOM 321 OG SER A 98 -10.456 1.023 2.433 1.00 0.00 O ATOM 0 H SER A 98 -8.330 0.538 3.757 1.00 0.00 H new ATOM 0 HA SER A 98 -8.106 1.546 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.612 2.685 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.000 2.871 1.627 1.00 0.00 H new ATOM 0 HG SER A 98 -11.392 1.297 2.337 1.00 0.00 H new ATOM 327 N PHE A 99 -6.389 3.218 1.430 1.00 0.00 N ATOM 328 CA PHE A 99 -5.379 4.294 1.694 1.00 0.00 C ATOM 329 C PHE A 99 -5.826 5.605 1.039 1.00 0.00 C ATOM 330 O PHE A 99 -6.945 5.717 0.569 1.00 0.00 O ATOM 331 CB PHE A 99 -4.043 3.791 1.112 1.00 0.00 C ATOM 332 CG PHE A 99 -4.195 3.321 -0.320 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.313 4.251 -1.360 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.187 1.950 -0.608 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.424 3.807 -2.687 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.304 1.511 -1.934 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.420 2.439 -2.973 1.00 0.00 C ATOM 0 H PHE A 99 -6.372 2.836 0.484 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.272 4.499 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.303 4.591 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.664 2.973 1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.319 5.309 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.091 1.231 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.513 4.525 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.305 0.454 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.506 2.100 -3.995 1.00 0.00 H new ATOM 347 N GLN A 100 -4.983 6.613 1.040 1.00 0.00 N ATOM 348 CA GLN A 100 -5.391 7.921 0.453 1.00 0.00 C ATOM 349 C GLN A 100 -4.416 8.408 -0.626 1.00 0.00 C ATOM 350 O GLN A 100 -3.471 7.743 -0.996 1.00 0.00 O ATOM 351 CB GLN A 100 -5.425 8.897 1.637 1.00 0.00 C ATOM 352 CG GLN A 100 -6.783 9.611 1.685 1.00 0.00 C ATOM 353 CD GLN A 100 -7.346 9.569 3.110 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.497 8.509 3.684 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.664 10.685 3.707 1.00 0.00 N ATOM 0 H GLN A 100 -4.037 6.582 1.421 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.355 7.838 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.254 8.358 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.623 9.628 1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.671 10.645 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.479 9.133 0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.537 11.575 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.039 10.667 4.655 1.00 0.00 H new ATOM 364 N LYS A 101 -4.709 9.560 -1.159 1.00 0.00 N ATOM 365 CA LYS A 101 -3.897 10.160 -2.268 1.00 0.00 C ATOM 366 C LYS A 101 -2.434 10.439 -1.929 1.00 0.00 C ATOM 367 O LYS A 101 -1.605 10.558 -2.811 1.00 0.00 O ATOM 368 CB LYS A 101 -4.607 11.461 -2.581 1.00 0.00 C ATOM 369 CG LYS A 101 -4.106 11.996 -3.909 1.00 0.00 C ATOM 370 CD LYS A 101 -5.261 12.672 -4.641 1.00 0.00 C ATOM 371 CE LYS A 101 -6.253 11.606 -5.124 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.359 12.368 -5.774 1.00 0.00 N ATOM 0 H LYS A 101 -5.501 10.132 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.839 9.455 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.684 11.300 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.424 12.188 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.296 12.707 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.701 11.184 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.763 13.377 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.884 13.244 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.782 10.919 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.623 11.007 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.076 11.704 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.794 13.009 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.979 12.923 -6.567 1.00 0.00 H new ATOM 386 N GLY A 102 -2.123 10.577 -0.693 1.00 0.00 N ATOM 387 CA GLY A 102 -0.717 10.878 -0.290 1.00 0.00 C ATOM 388 C GLY A 102 -0.409 10.119 0.988 1.00 0.00 C ATOM 389 O GLY A 102 0.184 10.645 1.911 1.00 0.00 O ATOM 0 H GLY A 102 -2.783 10.496 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.026 10.585 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.589 11.949 -0.135 1.00 0.00 H new ATOM 393 N ASP A 103 -0.821 8.885 1.046 1.00 0.00 N ATOM 394 CA ASP A 103 -0.568 8.073 2.284 1.00 0.00 C ATOM 395 C ASP A 103 0.763 7.321 2.194 1.00 0.00 C ATOM 396 O ASP A 103 1.340 7.179 1.136 1.00 0.00 O ATOM 397 CB ASP A 103 -1.738 7.098 2.395 1.00 0.00 C ATOM 398 CG ASP A 103 -2.857 7.752 3.210 1.00 0.00 C ATOM 399 OD1 ASP A 103 -3.071 8.941 3.033 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.476 7.056 3.999 1.00 0.00 O ATOM 0 H ASP A 103 -1.319 8.400 0.300 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.497 8.712 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.102 6.832 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.414 6.174 2.874 1.00 0.00 H new ATOM 405 N GLN A 104 1.240 6.825 3.306 1.00 0.00 N ATOM 406 CA GLN A 104 2.513 6.066 3.319 1.00 0.00 C ATOM 407 C GLN A 104 2.273 4.670 3.877 1.00 0.00 C ATOM 408 O GLN A 104 2.030 4.490 5.056 1.00 0.00 O ATOM 409 CB GLN A 104 3.454 6.853 4.235 1.00 0.00 C ATOM 410 CG GLN A 104 4.246 7.866 3.409 1.00 0.00 C ATOM 411 CD GLN A 104 5.655 8.009 3.989 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.020 9.056 4.483 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.468 6.987 3.946 1.00 0.00 N ATOM 0 H GLN A 104 0.790 6.919 4.216 1.00 0.00 H new ATOM 0 HA GLN A 104 2.933 5.952 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.881 7.367 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.136 6.172 4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.300 7.541 2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.739 8.831 3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.160 6.108 3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.410 7.069 4.328 1.00 0.00 H new ATOM 422 N MET A 105 2.353 3.686 3.035 1.00 0.00 N ATOM 423 CA MET A 105 2.153 2.281 3.480 1.00 0.00 C ATOM 424 C MET A 105 3.363 1.495 3.019 1.00 0.00 C ATOM 425 O MET A 105 3.936 1.807 1.997 1.00 0.00 O ATOM 426 CB MET A 105 0.883 1.793 2.773 1.00 0.00 C ATOM 427 CG MET A 105 -0.284 2.750 3.063 1.00 0.00 C ATOM 428 SD MET A 105 -0.570 3.823 1.630 1.00 0.00 S ATOM 429 CE MET A 105 -0.979 2.511 0.454 1.00 0.00 C ATOM 0 H MET A 105 2.552 3.795 2.040 1.00 0.00 H new ATOM 0 HA MET A 105 2.047 2.172 4.559 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.056 1.733 1.698 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.632 0.788 3.112 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.186 2.181 3.288 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.061 3.354 3.942 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.527 2.935 -0.387 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.061 2.047 0.092 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.595 1.759 0.947 1.00 0.00 H new ATOM 439 N VAL A 106 3.777 0.503 3.754 1.00 0.00 N ATOM 440 CA VAL A 106 4.977 -0.256 3.319 1.00 0.00 C ATOM 441 C VAL A 106 4.535 -1.539 2.617 1.00 0.00 C ATOM 442 O VAL A 106 3.436 -2.001 2.812 1.00 0.00 O ATOM 443 CB VAL A 106 5.811 -0.528 4.595 1.00 0.00 C ATOM 444 CG1 VAL A 106 5.978 0.762 5.413 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.128 -1.569 5.474 1.00 0.00 C ATOM 0 H VAL A 106 3.344 0.189 4.623 1.00 0.00 H new ATOM 0 HA VAL A 106 5.586 0.294 2.602 1.00 0.00 H new ATOM 0 HB VAL A 106 6.787 -0.897 4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.567 0.553 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.489 1.512 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.997 1.138 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.731 -1.745 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.143 -1.207 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.021 -2.501 4.918 1.00 0.00 H new ATOM 455 N VAL A 107 5.374 -2.119 1.804 1.00 0.00 N ATOM 456 CA VAL A 107 4.971 -3.366 1.091 1.00 0.00 C ATOM 457 C VAL A 107 5.434 -4.596 1.887 1.00 0.00 C ATOM 458 O VAL A 107 6.495 -4.620 2.479 1.00 0.00 O ATOM 459 CB VAL A 107 5.632 -3.274 -0.300 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.590 -4.628 -1.022 1.00 0.00 C ATOM 461 CG2 VAL A 107 4.872 -2.244 -1.138 1.00 0.00 C ATOM 0 H VAL A 107 6.317 -1.786 1.602 1.00 0.00 H new ATOM 0 HA VAL A 107 3.891 -3.469 0.989 1.00 0.00 H new ATOM 0 HB VAL A 107 6.674 -2.980 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.063 -4.534 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.124 -5.372 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.554 -4.941 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.329 -2.169 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.833 -2.555 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.912 -1.273 -0.645 1.00 0.00 H new ATOM 471 N LEU A 108 4.625 -5.612 1.880 1.00 0.00 N ATOM 472 CA LEU A 108 4.941 -6.871 2.605 1.00 0.00 C ATOM 473 C LEU A 108 5.524 -7.893 1.625 1.00 0.00 C ATOM 474 O LEU A 108 6.301 -8.754 1.992 1.00 0.00 O ATOM 475 CB LEU A 108 3.575 -7.365 3.112 1.00 0.00 C ATOM 476 CG LEU A 108 3.160 -6.616 4.382 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.341 -5.395 4.003 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.297 -7.532 5.261 1.00 0.00 C ATOM 0 H LEU A 108 3.732 -5.624 1.388 1.00 0.00 H new ATOM 0 HA LEU A 108 5.665 -6.728 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.822 -7.221 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.623 -8.435 3.315 1.00 0.00 H new ATOM 0 HG LEU A 108 4.054 -6.313 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.045 -4.861 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.939 -4.737 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.450 -5.709 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.003 -6.998 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.406 -7.831 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.869 -8.419 5.534 1.00 0.00 H new ATOM 490 N GLU A 109 5.146 -7.794 0.376 1.00 0.00 N ATOM 491 CA GLU A 109 5.657 -8.740 -0.655 1.00 0.00 C ATOM 492 C GLU A 109 5.562 -8.092 -2.038 1.00 0.00 C ATOM 493 O GLU A 109 4.913 -7.076 -2.209 1.00 0.00 O ATOM 494 CB GLU A 109 4.734 -9.958 -0.565 1.00 0.00 C ATOM 495 CG GLU A 109 5.301 -10.961 0.445 1.00 0.00 C ATOM 496 CD GLU A 109 4.825 -12.371 0.091 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.909 -12.729 -1.073 1.00 0.00 O ATOM 498 OE2 GLU A 109 4.384 -13.070 0.987 1.00 0.00 O ATOM 0 H GLU A 109 4.498 -7.089 0.025 1.00 0.00 H new ATOM 0 HA GLU A 109 6.701 -9.012 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.734 -9.647 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.639 -10.427 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.390 -10.922 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.978 -10.700 1.453 1.00 0.00 H new ATOM 505 N GLU A 110 6.179 -8.682 -3.028 1.00 0.00 N ATOM 506 CA GLU A 110 6.105 -8.116 -4.411 1.00 0.00 C ATOM 507 C GLU A 110 5.373 -9.106 -5.324 1.00 0.00 C ATOM 508 O GLU A 110 5.889 -10.164 -5.636 1.00 0.00 O ATOM 509 CB GLU A 110 7.560 -7.955 -4.864 1.00 0.00 C ATOM 510 CG GLU A 110 8.211 -6.774 -4.141 1.00 0.00 C ATOM 511 CD GLU A 110 9.731 -6.960 -4.143 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.232 -7.577 -3.216 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.367 -6.486 -5.070 1.00 0.00 O ATOM 0 H GLU A 110 6.733 -9.534 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 110 5.567 -7.168 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.116 -8.869 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.598 -7.796 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.946 -5.839 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.842 -6.710 -3.118 1.00 0.00 H new ATOM 520 N SER A 111 4.173 -8.784 -5.743 1.00 0.00 N ATOM 521 CA SER A 111 3.407 -9.719 -6.624 1.00 0.00 C ATOM 522 C SER A 111 3.564 -9.328 -8.098 1.00 0.00 C ATOM 523 O SER A 111 4.156 -10.053 -8.876 1.00 0.00 O ATOM 524 CB SER A 111 1.952 -9.588 -6.173 1.00 0.00 C ATOM 525 OG SER A 111 1.138 -10.445 -6.961 1.00 0.00 O ATOM 0 H SER A 111 3.692 -7.915 -5.513 1.00 0.00 H new ATOM 0 HA SER A 111 3.765 -10.745 -6.542 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.861 -9.849 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.619 -8.555 -6.276 1.00 0.00 H new ATOM 0 HG SER A 111 0.205 -10.365 -6.674 1.00 0.00 H new ATOM 531 N GLY A 112 3.041 -8.192 -8.490 1.00 0.00 N ATOM 532 CA GLY A 112 3.162 -7.759 -9.917 1.00 0.00 C ATOM 533 C GLY A 112 2.199 -6.602 -10.184 1.00 0.00 C ATOM 534 O GLY A 112 2.598 -5.536 -10.614 1.00 0.00 O ATOM 0 H GLY A 112 2.536 -7.546 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.186 -7.450 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.937 -8.593 -10.581 1.00 0.00 H new ATOM 538 N GLU A 113 0.934 -6.807 -9.929 1.00 0.00 N ATOM 539 CA GLU A 113 -0.067 -5.723 -10.154 1.00 0.00 C ATOM 540 C GLU A 113 -0.757 -5.373 -8.832 1.00 0.00 C ATOM 541 O GLU A 113 -1.145 -4.243 -8.600 1.00 0.00 O ATOM 542 CB GLU A 113 -1.054 -6.300 -11.167 1.00 0.00 C ATOM 543 CG GLU A 113 -0.378 -6.350 -12.540 1.00 0.00 C ATOM 544 CD GLU A 113 -0.915 -7.535 -13.343 1.00 0.00 C ATOM 545 OE1 GLU A 113 -2.079 -7.860 -13.179 1.00 0.00 O ATOM 546 OE2 GLU A 113 -0.150 -8.098 -14.110 1.00 0.00 O ATOM 0 H GLU A 113 0.549 -7.682 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 113 0.382 -4.801 -10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.366 -7.299 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.953 -5.685 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.562 -5.421 -13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 113 0.702 -6.440 -12.420 1.00 0.00 H new ATOM 553 N TRP A 114 -0.901 -6.340 -7.963 1.00 0.00 N ATOM 554 CA TRP A 114 -1.542 -6.092 -6.644 1.00 0.00 C ATOM 555 C TRP A 114 -0.557 -6.469 -5.536 1.00 0.00 C ATOM 556 O TRP A 114 -0.366 -7.633 -5.238 1.00 0.00 O ATOM 557 CB TRP A 114 -2.766 -7.009 -6.615 1.00 0.00 C ATOM 558 CG TRP A 114 -3.808 -6.490 -7.556 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.842 -6.733 -8.888 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.967 -5.652 -7.264 1.00 0.00 C ATOM 561 NE1 TRP A 114 -4.945 -6.097 -9.431 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.669 -5.419 -8.469 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.470 -5.078 -6.082 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.831 -4.643 -8.501 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.638 -4.298 -6.109 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.317 -4.081 -7.318 1.00 0.00 C ATOM 0 H TRP A 114 -0.597 -7.301 -8.116 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.825 -5.050 -6.496 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.480 -8.022 -6.897 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.169 -7.061 -5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.126 -7.326 -9.437 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.193 -6.125 -10.420 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.954 -5.238 -5.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.350 -4.479 -9.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.015 -3.863 -5.195 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.214 -3.480 -7.334 1.00 0.00 H new ATOM 577 N TRP A 115 0.079 -5.496 -4.931 1.00 0.00 N ATOM 578 CA TRP A 115 1.066 -5.802 -3.851 1.00 0.00 C ATOM 579 C TRP A 115 0.387 -5.715 -2.490 1.00 0.00 C ATOM 580 O TRP A 115 -0.574 -4.991 -2.311 1.00 0.00 O ATOM 581 CB TRP A 115 2.150 -4.711 -3.960 1.00 0.00 C ATOM 582 CG TRP A 115 2.829 -4.737 -5.303 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.775 -5.751 -6.206 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.678 -3.710 -5.902 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.531 -5.409 -7.312 1.00 0.00 N ATOM 586 CE2 TRP A 115 4.106 -4.163 -7.175 1.00 0.00 C ATOM 587 CE3 TRP A 115 4.112 -2.440 -5.471 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.931 -3.388 -7.988 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.945 -1.657 -6.290 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.353 -2.132 -7.546 1.00 0.00 C ATOM 0 H TRP A 115 -0.043 -4.505 -5.138 1.00 0.00 H new ATOM 0 HA TRP A 115 1.482 -6.804 -3.954 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.699 -3.732 -3.798 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.891 -4.854 -3.174 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.230 -6.675 -6.080 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.649 -6.006 -8.130 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.803 -2.066 -4.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.242 -3.756 -8.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 5.272 -0.685 -5.951 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.993 -1.527 -8.171 1.00 0.00 H new ATOM 601 N LYS A 116 0.902 -6.421 -1.519 1.00 0.00 N ATOM 602 CA LYS A 116 0.303 -6.362 -0.154 1.00 0.00 C ATOM 603 C LYS A 116 1.067 -5.317 0.647 1.00 0.00 C ATOM 604 O LYS A 116 2.275 -5.262 0.567 1.00 0.00 O ATOM 605 CB LYS A 116 0.506 -7.761 0.433 1.00 0.00 C ATOM 606 CG LYS A 116 -0.720 -8.618 0.122 1.00 0.00 C ATOM 607 CD LYS A 116 -0.311 -10.091 0.065 1.00 0.00 C ATOM 608 CE LYS A 116 -0.440 -10.717 1.458 1.00 0.00 C ATOM 609 NZ LYS A 116 0.961 -10.903 1.930 1.00 0.00 N ATOM 0 H LYS A 116 1.711 -7.035 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.752 -6.090 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.401 -8.219 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.657 -7.698 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.483 -8.471 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.158 -8.314 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.942 -10.626 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.716 -10.180 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.000 -10.068 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.971 -11.668 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.954 -11.328 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.468 -11.530 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.440 -9.981 1.967 1.00 0.00 H new ATOM 623 N ALA A 117 0.391 -4.463 1.383 1.00 0.00 N ATOM 624 CA ALA A 117 1.144 -3.404 2.132 1.00 0.00 C ATOM 625 C ALA A 117 0.536 -3.086 3.506 1.00 0.00 C ATOM 626 O ALA A 117 -0.619 -3.345 3.775 1.00 0.00 O ATOM 627 CB ALA A 117 1.069 -2.174 1.231 1.00 0.00 C ATOM 0 H ALA A 117 -0.623 -4.452 1.496 1.00 0.00 H new ATOM 0 HA ALA A 117 2.162 -3.734 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.597 -1.345 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.531 -2.399 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.026 -1.899 1.077 1.00 0.00 H new ATOM 633 N ARG A 118 1.333 -2.504 4.374 1.00 0.00 N ATOM 634 CA ARG A 118 0.858 -2.141 5.731 1.00 0.00 C ATOM 635 C ARG A 118 0.815 -0.615 5.886 1.00 0.00 C ATOM 636 O ARG A 118 1.803 0.073 5.718 1.00 0.00 O ATOM 637 CB ARG A 118 1.889 -2.781 6.671 1.00 0.00 C ATOM 638 CG ARG A 118 1.655 -2.330 8.119 1.00 0.00 C ATOM 639 CD ARG A 118 2.915 -1.664 8.670 1.00 0.00 C ATOM 640 NE ARG A 118 3.967 -2.727 8.652 1.00 0.00 N ATOM 641 CZ ARG A 118 5.236 -2.432 8.848 1.00 0.00 C ATOM 642 NH1 ARG A 118 5.639 -1.190 8.983 1.00 0.00 N ATOM 643 NH2 ARG A 118 6.116 -3.393 8.893 1.00 0.00 N ATOM 0 H ARG A 118 2.307 -2.265 4.187 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.153 -2.490 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.822 -3.867 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.896 -2.505 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.818 -1.633 8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.387 -3.187 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.208 -0.811 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.752 -1.290 9.681 1.00 0.00 H new ATOM 0 HE ARG A 118 3.697 -3.697 8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.964 -0.427 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.627 -0.988 9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.819 -4.362 8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 118 7.101 -3.176 9.044 1.00 0.00 H new ATOM 657 N SER A 119 -0.341 -0.095 6.207 1.00 0.00 N ATOM 658 CA SER A 119 -0.501 1.380 6.380 1.00 0.00 C ATOM 659 C SER A 119 -0.093 1.806 7.793 1.00 0.00 C ATOM 660 O SER A 119 -0.546 1.242 8.779 1.00 0.00 O ATOM 661 CB SER A 119 -1.989 1.632 6.161 1.00 0.00 C ATOM 662 OG SER A 119 -2.213 3.022 5.978 1.00 0.00 O ATOM 0 H SER A 119 -1.192 -0.637 6.359 1.00 0.00 H new ATOM 0 HA SER A 119 0.125 1.946 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.338 1.079 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.559 1.271 7.017 1.00 0.00 H new ATOM 0 HG SER A 119 -3.169 3.183 5.836 1.00 0.00 H new ATOM 668 N LEU A 120 0.753 2.804 7.892 1.00 0.00 N ATOM 669 CA LEU A 120 1.205 3.290 9.232 1.00 0.00 C ATOM 670 C LEU A 120 0.119 4.144 9.888 1.00 0.00 C ATOM 671 O LEU A 120 0.054 4.248 11.097 1.00 0.00 O ATOM 672 CB LEU A 120 2.438 4.154 8.960 1.00 0.00 C ATOM 673 CG LEU A 120 3.522 3.329 8.269 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.342 4.242 7.359 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.440 2.709 9.324 1.00 0.00 C ATOM 0 H LEU A 120 1.151 3.304 7.097 1.00 0.00 H new ATOM 0 HA LEU A 120 1.420 2.459 9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.164 5.004 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.821 4.558 9.897 1.00 0.00 H new ATOM 0 HG LEU A 120 3.060 2.538 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.118 3.659 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.689 4.690 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.805 5.029 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.214 2.120 8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.905 3.500 9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.856 2.064 9.981 1.00 0.00 H new ATOM 687 N ALA A 121 -0.728 4.768 9.100 1.00 0.00 N ATOM 688 CA ALA A 121 -1.809 5.622 9.688 1.00 0.00 C ATOM 689 C ALA A 121 -2.683 4.781 10.618 1.00 0.00 C ATOM 690 O ALA A 121 -3.246 5.276 11.576 1.00 0.00 O ATOM 691 CB ALA A 121 -2.626 6.133 8.497 1.00 0.00 C ATOM 0 H ALA A 121 -0.717 4.722 8.081 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.407 6.447 10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.437 6.767 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.981 6.710 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.042 5.286 7.951 1.00 0.00 H new ATOM 697 N THR A 122 -2.784 3.508 10.341 1.00 0.00 N ATOM 698 CA THR A 122 -3.601 2.609 11.199 1.00 0.00 C ATOM 699 C THR A 122 -2.795 1.367 11.604 1.00 0.00 C ATOM 700 O THR A 122 -3.320 0.464 12.226 1.00 0.00 O ATOM 701 CB THR A 122 -4.790 2.207 10.325 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.322 1.813 9.041 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.751 3.391 10.185 1.00 0.00 C ATOM 0 H THR A 122 -2.331 3.051 9.550 1.00 0.00 H new ATOM 0 HA THR A 122 -3.911 3.097 12.123 1.00 0.00 H new ATOM 0 HB THR A 122 -5.316 1.373 10.789 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.083 1.554 8.481 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.597 3.101 9.562 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.111 3.686 11.171 1.00 0.00 H new ATOM 0 HG23 THR A 122 -5.230 4.230 9.723 1.00 0.00 H new ATOM 711 N ARG A 123 -1.525 1.301 11.252 1.00 0.00 N ATOM 712 CA ARG A 123 -0.694 0.099 11.609 1.00 0.00 C ATOM 713 C ARG A 123 -1.380 -1.173 11.098 1.00 0.00 C ATOM 714 O ARG A 123 -1.224 -2.242 11.657 1.00 0.00 O ATOM 715 CB ARG A 123 -0.613 0.077 13.143 1.00 0.00 C ATOM 716 CG ARG A 123 -0.052 1.406 13.671 1.00 0.00 C ATOM 717 CD ARG A 123 1.478 1.359 13.660 1.00 0.00 C ATOM 718 NE ARG A 123 1.903 1.900 15.002 1.00 0.00 N ATOM 719 CZ ARG A 123 1.593 3.115 15.407 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.023 3.977 14.598 1.00 0.00 N ATOM 721 NH2 ARG A 123 1.894 3.480 16.624 1.00 0.00 N ATOM 0 H ARG A 123 -1.030 2.027 10.734 1.00 0.00 H new ATOM 0 HA ARG A 123 0.298 0.146 11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.603 -0.099 13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.022 -0.747 13.468 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.405 2.232 13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.413 1.588 14.683 1.00 0.00 H new ATOM 0 HD2 ARG A 123 1.839 0.341 13.514 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.884 1.961 12.847 1.00 0.00 H new ATOM 0 HE ARG A 123 2.452 1.302 15.620 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.812 3.711 13.636 1.00 0.00 H new ATOM 0 HH12 ARG A 123 0.791 4.913 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.364 2.827 17.251 1.00 0.00 H new ATOM 0 HH22 ARG A 123 1.659 4.418 16.948 1.00 0.00 H new ATOM 735 N LYS A 124 -2.142 -1.057 10.038 1.00 0.00 N ATOM 736 CA LYS A 124 -2.852 -2.251 9.483 1.00 0.00 C ATOM 737 C LYS A 124 -2.219 -2.662 8.154 1.00 0.00 C ATOM 738 O LYS A 124 -1.226 -2.107 7.751 1.00 0.00 O ATOM 739 CB LYS A 124 -4.294 -1.787 9.277 1.00 0.00 C ATOM 740 CG LYS A 124 -4.988 -1.643 10.636 1.00 0.00 C ATOM 741 CD LYS A 124 -6.494 -1.865 10.476 1.00 0.00 C ATOM 742 CE LYS A 124 -7.173 -1.774 11.847 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.614 -2.052 11.586 1.00 0.00 N ATOM 0 H LYS A 124 -2.303 -0.186 9.533 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.795 -3.117 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.308 -0.834 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.832 -2.504 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.578 -2.365 11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.799 -0.652 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.913 -1.119 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.683 -2.841 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.752 -2.498 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.036 -0.788 12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.144 -2.007 12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.990 -1.343 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.715 -3.000 11.171 1.00 0.00 H new ATOM 757 N GLU A 125 -2.792 -3.616 7.466 1.00 0.00 N ATOM 758 CA GLU A 125 -2.206 -4.049 6.153 1.00 0.00 C ATOM 759 C GLU A 125 -3.271 -4.666 5.256 1.00 0.00 C ATOM 760 O GLU A 125 -4.262 -5.187 5.724 1.00 0.00 O ATOM 761 CB GLU A 125 -1.084 -5.068 6.460 1.00 0.00 C ATOM 762 CG GLU A 125 -1.438 -5.962 7.658 1.00 0.00 C ATOM 763 CD GLU A 125 -2.703 -6.764 7.351 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.613 -7.696 6.569 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.738 -6.435 7.906 1.00 0.00 O ATOM 0 H GLU A 125 -3.635 -4.114 7.751 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.803 -3.190 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.907 -5.690 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.155 -4.535 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.611 -6.639 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.591 -5.350 8.547 1.00 0.00 H new ATOM 772 N GLY A 126 -3.064 -4.602 3.962 1.00 0.00 N ATOM 773 CA GLY A 126 -4.057 -5.176 3.012 1.00 0.00 C ATOM 774 C GLY A 126 -3.466 -5.260 1.600 1.00 0.00 C ATOM 775 O GLY A 126 -2.429 -5.859 1.384 1.00 0.00 O ATOM 0 H GLY A 126 -2.247 -4.175 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.356 -6.169 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.956 -4.559 3.000 1.00 0.00 H new ATOM 779 N TYR A 127 -4.128 -4.662 0.642 1.00 0.00 N ATOM 780 CA TYR A 127 -3.649 -4.698 -0.766 1.00 0.00 C ATOM 781 C TYR A 127 -3.579 -3.281 -1.322 1.00 0.00 C ATOM 782 O TYR A 127 -4.256 -2.392 -0.844 1.00 0.00 O ATOM 783 CB TYR A 127 -4.719 -5.491 -1.515 1.00 0.00 C ATOM 784 CG TYR A 127 -4.572 -6.958 -1.213 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.679 -7.740 -1.953 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.333 -7.539 -0.193 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.546 -9.104 -1.671 1.00 0.00 C ATOM 788 CE2 TYR A 127 -5.201 -8.903 0.089 1.00 0.00 C ATOM 789 CZ TYR A 127 -4.307 -9.685 -0.650 1.00 0.00 C ATOM 790 OH TYR A 127 -4.178 -11.030 -0.373 1.00 0.00 O ATOM 0 H TYR A 127 -4.994 -4.143 0.783 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.657 -5.140 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.711 -5.148 -1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.627 -5.320 -2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.093 -7.291 -2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.023 -6.934 0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.856 -9.709 -2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -5.789 -9.352 0.876 1.00 0.00 H new ATOM 0 HH TYR A 127 -4.777 -11.271 0.365 1.00 0.00 H new ATOM 800 N ILE A 128 -2.782 -3.070 -2.336 1.00 0.00 N ATOM 801 CA ILE A 128 -2.676 -1.708 -2.938 1.00 0.00 C ATOM 802 C ILE A 128 -2.267 -1.806 -4.427 1.00 0.00 C ATOM 803 O ILE A 128 -1.129 -2.103 -4.731 1.00 0.00 O ATOM 804 CB ILE A 128 -1.611 -0.961 -2.109 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.351 -1.825 -1.932 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.182 -0.626 -0.725 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.891 -0.934 -1.967 1.00 0.00 C ATOM 0 H ILE A 128 -2.199 -3.783 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.628 -1.178 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.342 -0.047 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.398 -2.364 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.297 -2.573 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.430 -0.098 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.063 0.006 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.460 -1.547 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.783 -1.548 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.940 -0.415 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.837 -0.203 -1.160 1.00 0.00 H new ATOM 819 N PRO A 129 -3.217 -1.559 -5.325 1.00 0.00 N ATOM 820 CA PRO A 129 -2.932 -1.641 -6.790 1.00 0.00 C ATOM 821 C PRO A 129 -1.639 -0.900 -7.160 1.00 0.00 C ATOM 822 O PRO A 129 -1.550 0.309 -7.069 1.00 0.00 O ATOM 823 CB PRO A 129 -4.140 -0.968 -7.441 1.00 0.00 C ATOM 824 CG PRO A 129 -5.244 -1.050 -6.432 1.00 0.00 C ATOM 825 CD PRO A 129 -4.619 -1.188 -5.067 1.00 0.00 C ATOM 0 HA PRO A 129 -2.786 -2.670 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.920 0.068 -7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.417 -1.473 -8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.868 -0.157 -6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -5.890 -1.902 -6.643 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.684 -0.255 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.127 -1.950 -4.476 1.00 0.00 H new ATOM 833 N SER A 130 -0.641 -1.633 -7.581 1.00 0.00 N ATOM 834 CA SER A 130 0.666 -1.007 -7.961 1.00 0.00 C ATOM 835 C SER A 130 0.504 0.005 -9.108 1.00 0.00 C ATOM 836 O SER A 130 1.396 0.789 -9.371 1.00 0.00 O ATOM 837 CB SER A 130 1.541 -2.175 -8.415 1.00 0.00 C ATOM 838 OG SER A 130 1.479 -3.211 -7.445 1.00 0.00 O ATOM 0 H SER A 130 -0.674 -2.648 -7.679 1.00 0.00 H new ATOM 0 HA SER A 130 1.095 -0.453 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.201 -2.545 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.571 -1.844 -8.545 1.00 0.00 H new ATOM 0 HG SER A 130 2.388 -3.487 -7.202 1.00 0.00 H new ATOM 844 N ASN A 131 -0.609 -0.013 -9.810 1.00 0.00 N ATOM 845 CA ASN A 131 -0.793 0.948 -10.946 1.00 0.00 C ATOM 846 C ASN A 131 -1.107 2.376 -10.449 1.00 0.00 C ATOM 847 O ASN A 131 -1.311 3.270 -11.249 1.00 0.00 O ATOM 848 CB ASN A 131 -1.958 0.391 -11.773 1.00 0.00 C ATOM 849 CG ASN A 131 -3.217 0.275 -10.908 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.513 1.146 -10.113 1.00 0.00 O ATOM 851 ND2 ASN A 131 -3.976 -0.781 -11.031 1.00 0.00 N ATOM 0 H ASN A 131 -1.391 -0.647 -9.646 1.00 0.00 H new ATOM 0 HA ASN A 131 0.121 1.034 -11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.153 1.043 -12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.693 -0.587 -12.174 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.816 -0.874 -10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.728 -1.512 -11.698 1.00 0.00 H new ATOM 858 N TYR A 132 -1.149 2.605 -9.153 1.00 0.00 N ATOM 859 CA TYR A 132 -1.441 3.989 -8.641 1.00 0.00 C ATOM 860 C TYR A 132 -0.651 4.270 -7.354 1.00 0.00 C ATOM 861 O TYR A 132 -1.187 4.792 -6.393 1.00 0.00 O ATOM 862 CB TYR A 132 -2.946 4.012 -8.342 1.00 0.00 C ATOM 863 CG TYR A 132 -3.719 4.409 -9.581 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.363 5.563 -10.290 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.796 3.627 -10.015 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.083 5.933 -11.431 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.515 3.998 -11.157 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.158 5.151 -11.864 1.00 0.00 C ATOM 869 OH TYR A 132 -5.868 5.518 -12.988 1.00 0.00 O ATOM 0 H TYR A 132 -0.995 1.900 -8.433 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.155 4.748 -9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.271 3.029 -8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.153 4.714 -7.535 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.533 6.167 -9.956 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.072 2.737 -9.469 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -3.808 6.823 -11.978 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.345 3.394 -11.492 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.581 4.866 -13.151 1.00 0.00 H new ATOM 879 N VAL A 133 0.613 3.931 -7.325 1.00 0.00 N ATOM 880 CA VAL A 133 1.425 4.175 -6.094 1.00 0.00 C ATOM 881 C VAL A 133 2.906 4.343 -6.442 1.00 0.00 C ATOM 882 O VAL A 133 3.334 4.071 -7.547 1.00 0.00 O ATOM 883 CB VAL A 133 1.195 2.928 -5.222 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.576 1.665 -5.994 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.030 2.997 -3.945 1.00 0.00 C ATOM 0 H VAL A 133 1.117 3.497 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 133 1.133 5.091 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 133 0.138 2.895 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.409 0.790 -5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.964 1.589 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.628 1.714 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.851 2.105 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.087 3.054 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.749 3.881 -3.374 1.00 0.00 H new ATOM 895 N ALA A 134 3.681 4.781 -5.491 1.00 0.00 N ATOM 896 CA ALA A 134 5.149 4.967 -5.727 1.00 0.00 C ATOM 897 C ALA A 134 5.930 4.165 -4.685 1.00 0.00 C ATOM 898 O ALA A 134 5.823 4.418 -3.498 1.00 0.00 O ATOM 899 CB ALA A 134 5.405 6.471 -5.560 1.00 0.00 C ATOM 0 H ALA A 134 3.363 5.021 -4.552 1.00 0.00 H new ATOM 0 HA ALA A 134 5.463 4.622 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.463 6.680 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.812 7.024 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.122 6.779 -4.553 1.00 0.00 H new ATOM 905 N ARG A 135 6.690 3.183 -5.105 1.00 0.00 N ATOM 906 CA ARG A 135 7.442 2.359 -4.132 1.00 0.00 C ATOM 907 C ARG A 135 8.869 2.861 -3.938 1.00 0.00 C ATOM 908 O ARG A 135 9.667 2.883 -4.858 1.00 0.00 O ATOM 909 CB ARG A 135 7.465 0.955 -4.730 1.00 0.00 C ATOM 910 CG ARG A 135 8.058 -0.003 -3.700 1.00 0.00 C ATOM 911 CD ARG A 135 7.266 -1.314 -3.686 1.00 0.00 C ATOM 912 NE ARG A 135 7.693 -2.033 -4.931 1.00 0.00 N ATOM 913 CZ ARG A 135 7.297 -3.263 -5.187 1.00 0.00 C ATOM 914 NH1 ARG A 135 6.493 -3.908 -4.376 1.00 0.00 N ATOM 915 NH2 ARG A 135 7.703 -3.844 -6.283 1.00 0.00 N ATOM 0 H ARG A 135 6.817 2.923 -6.083 1.00 0.00 H new ATOM 0 HA ARG A 135 6.970 2.395 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.456 0.643 -5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.059 0.943 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.103 -0.203 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.037 0.455 -2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.488 -1.901 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.192 -1.127 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 135 8.304 -1.558 -5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.159 -3.458 -3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.201 -4.860 -4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.318 -3.346 -6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.405 -4.796 -6.496 1.00 0.00 H new