USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 78 SER OG : rot 36:sc= 0.667 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 69:sc= 1.11 USER MOD Single : A 93 HIS : no HD1:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.00098) USER MOD Single : A 98 SER OG : rot 180:sc= 0.903 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.099) USER MOD Single : A 105 MET CE :methyl 173:sc= -3.13 (180deg=-3.45) 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= -0.6 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 -140:sc= 1.57 USER MOD Single : A 131 ASN : amide:sc= -2.51! X(o=-2.5!,f=-3) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 19.883 1.401 2.913 1.00 0.00 N ATOM 2 CA SER A 78 19.676 0.545 1.708 1.00 0.00 C ATOM 3 C SER A 78 18.249 0.714 1.178 1.00 0.00 C ATOM 4 O SER A 78 17.432 1.390 1.774 1.00 0.00 O ATOM 5 CB SER A 78 19.902 -0.885 2.198 1.00 0.00 C ATOM 6 OG SER A 78 21.051 -0.918 3.035 1.00 0.00 O ATOM 0 HA SER A 78 20.349 0.808 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.028 -1.236 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.037 -1.556 1.349 1.00 0.00 H new ATOM 0 HG SER A 78 21.099 -0.091 3.558 1.00 0.00 H new ATOM 12 N GLU A 79 17.945 0.102 0.061 1.00 0.00 N ATOM 13 CA GLU A 79 16.571 0.220 -0.515 1.00 0.00 C ATOM 14 C GLU A 79 15.590 -0.641 0.285 1.00 0.00 C ATOM 15 O GLU A 79 15.972 -1.625 0.890 1.00 0.00 O ATOM 16 CB GLU A 79 16.693 -0.296 -1.951 1.00 0.00 C ATOM 17 CG GLU A 79 17.569 0.657 -2.764 1.00 0.00 C ATOM 18 CD GLU A 79 18.274 -0.122 -3.875 1.00 0.00 C ATOM 19 OE1 GLU A 79 18.854 -1.153 -3.574 1.00 0.00 O ATOM 20 OE2 GLU A 79 18.222 0.323 -5.010 1.00 0.00 O ATOM 0 H GLU A 79 18.591 -0.475 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 79 16.196 1.243 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.126 -1.296 -1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.705 -0.375 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.959 1.452 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.305 1.134 -2.116 1.00 0.00 H new ATOM 27 N ASP A 80 14.329 -0.280 0.293 1.00 0.00 N ATOM 28 CA ASP A 80 13.324 -1.086 1.055 1.00 0.00 C ATOM 29 C ASP A 80 12.081 -1.292 0.193 1.00 0.00 C ATOM 30 O ASP A 80 12.136 -1.158 -1.016 1.00 0.00 O ATOM 31 CB ASP A 80 12.991 -0.256 2.298 1.00 0.00 C ATOM 32 CG ASP A 80 14.266 -0.001 3.105 1.00 0.00 C ATOM 33 OD1 ASP A 80 15.083 0.783 2.652 1.00 0.00 O ATOM 34 OD2 ASP A 80 14.403 -0.595 4.162 1.00 0.00 O ATOM 0 H ASP A 80 13.954 0.534 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 80 13.700 -2.072 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.540 0.692 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.259 -0.781 2.912 1.00 0.00 H new ATOM 39 N ILE A 81 10.958 -1.605 0.796 1.00 0.00 N ATOM 40 CA ILE A 81 9.721 -1.803 -0.016 1.00 0.00 C ATOM 41 C ILE A 81 8.586 -0.901 0.483 1.00 0.00 C ATOM 42 O ILE A 81 7.446 -1.315 0.537 1.00 0.00 O ATOM 43 CB ILE A 81 9.354 -3.297 0.081 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.854 -3.676 1.504 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.560 -4.156 -0.344 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.001 -4.085 2.446 1.00 0.00 C ATOM 0 H ILE A 81 10.847 -1.730 1.802 1.00 0.00 H new ATOM 0 HA ILE A 81 9.888 -1.526 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 81 8.527 -3.496 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.320 -2.829 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.141 -4.497 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.297 -5.212 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.833 -3.917 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.404 -3.948 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.595 -4.339 3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.520 -4.950 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.701 -3.256 2.548 1.00 0.00 H new ATOM 58 N ILE A 82 8.875 0.339 0.817 1.00 0.00 N ATOM 59 CA ILE A 82 7.779 1.247 1.277 1.00 0.00 C ATOM 60 C ILE A 82 7.310 2.091 0.108 1.00 0.00 C ATOM 61 O ILE A 82 8.101 2.546 -0.683 1.00 0.00 O ATOM 62 CB ILE A 82 8.360 2.146 2.375 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.973 1.280 3.482 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.235 3.018 2.958 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.591 2.175 4.563 1.00 0.00 C ATOM 0 H ILE A 82 9.807 0.753 0.791 1.00 0.00 H new ATOM 0 HA ILE A 82 6.931 0.680 1.660 1.00 0.00 H new ATOM 0 HB ILE A 82 9.137 2.785 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.207 0.640 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.735 0.623 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.641 3.660 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.806 3.634 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.460 2.378 3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.025 1.553 5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.370 2.796 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.819 2.813 4.992 1.00 0.00 H new ATOM 77 N VAL A 83 6.032 2.296 -0.011 1.00 0.00 N ATOM 78 CA VAL A 83 5.523 3.110 -1.141 1.00 0.00 C ATOM 79 C VAL A 83 4.591 4.206 -0.627 1.00 0.00 C ATOM 80 O VAL A 83 4.327 4.310 0.558 1.00 0.00 O ATOM 81 CB VAL A 83 4.770 2.121 -2.040 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.710 0.992 -2.490 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.574 1.520 -1.287 1.00 0.00 C ATOM 0 H VAL A 83 5.320 1.936 0.624 1.00 0.00 H new ATOM 0 HA VAL A 83 6.324 3.613 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 83 4.408 2.659 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.164 0.296 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.546 1.415 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.088 0.463 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.049 0.820 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.929 0.995 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.894 2.318 -0.988 1.00 0.00 H new ATOM 93 N VAL A 84 4.081 5.008 -1.517 1.00 0.00 N ATOM 94 CA VAL A 84 3.148 6.089 -1.102 1.00 0.00 C ATOM 95 C VAL A 84 1.907 6.066 -2.000 1.00 0.00 C ATOM 96 O VAL A 84 2.010 6.096 -3.215 1.00 0.00 O ATOM 97 CB VAL A 84 3.947 7.402 -1.244 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.076 7.819 -2.714 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.231 8.515 -0.482 1.00 0.00 C ATOM 0 H VAL A 84 4.271 4.961 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 84 2.790 5.973 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 84 4.945 7.236 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.644 8.747 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.593 7.037 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.083 7.970 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.793 9.444 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.230 8.651 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.158 8.246 0.572 1.00 0.00 H new ATOM 109 N ALA A 85 0.743 6.010 -1.414 1.00 0.00 N ATOM 110 CA ALA A 85 -0.496 6.001 -2.237 1.00 0.00 C ATOM 111 C ALA A 85 -0.649 7.368 -2.886 1.00 0.00 C ATOM 112 O ALA A 85 -0.748 8.374 -2.198 1.00 0.00 O ATOM 113 CB ALA A 85 -1.639 5.750 -1.259 1.00 0.00 C ATOM 0 H ALA A 85 0.598 5.970 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.479 5.245 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.584 5.731 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.488 4.793 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.663 6.547 -0.515 1.00 0.00 H new ATOM 119 N LEU A 86 -0.665 7.409 -4.197 1.00 0.00 N ATOM 120 CA LEU A 86 -0.797 8.714 -4.914 1.00 0.00 C ATOM 121 C LEU A 86 -2.258 9.010 -5.252 1.00 0.00 C ATOM 122 O LEU A 86 -2.556 10.018 -5.861 1.00 0.00 O ATOM 123 CB LEU A 86 -0.007 8.538 -6.214 1.00 0.00 C ATOM 124 CG LEU A 86 1.488 8.442 -5.909 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.213 7.816 -7.105 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.046 9.846 -5.657 1.00 0.00 C ATOM 0 H LEU A 86 -0.592 6.591 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.432 9.538 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.339 7.638 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.197 9.379 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 86 1.640 7.823 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.279 7.747 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.815 6.818 -7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.061 8.437 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.112 9.780 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.894 10.462 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.530 10.296 -4.809 1.00 0.00 H new ATOM 138 N TYR A 87 -3.171 8.148 -4.870 1.00 0.00 N ATOM 139 CA TYR A 87 -4.619 8.395 -5.163 1.00 0.00 C ATOM 140 C TYR A 87 -5.458 7.689 -4.091 1.00 0.00 C ATOM 141 O TYR A 87 -5.030 6.709 -3.510 1.00 0.00 O ATOM 142 CB TYR A 87 -4.899 7.800 -6.555 1.00 0.00 C ATOM 143 CG TYR A 87 -3.914 8.334 -7.572 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.137 9.571 -8.189 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.768 7.591 -7.886 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.213 10.065 -9.121 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.847 8.083 -8.819 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.068 9.320 -9.436 1.00 0.00 C ATOM 149 OH TYR A 87 -1.158 9.806 -10.354 1.00 0.00 O ATOM 0 H TYR A 87 -2.975 7.283 -4.367 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.868 9.456 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.832 6.713 -6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.916 8.044 -6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.020 10.144 -7.947 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.595 6.638 -7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.384 11.020 -9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.966 7.508 -9.063 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.422 9.167 -10.455 1.00 0.00 H new ATOM 159 N ASP A 88 -6.632 8.190 -3.811 1.00 0.00 N ATOM 160 CA ASP A 88 -7.489 7.558 -2.758 1.00 0.00 C ATOM 161 C ASP A 88 -7.970 6.174 -3.216 1.00 0.00 C ATOM 162 O ASP A 88 -8.160 5.937 -4.393 1.00 0.00 O ATOM 163 CB ASP A 88 -8.677 8.503 -2.575 1.00 0.00 C ATOM 164 CG ASP A 88 -8.193 9.821 -1.966 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.378 9.768 -1.060 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.646 10.861 -2.417 1.00 0.00 O ATOM 0 H ASP A 88 -7.037 9.009 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.942 7.412 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.158 8.689 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.424 8.044 -1.928 1.00 0.00 H new ATOM 171 N TYR A 89 -8.167 5.261 -2.292 1.00 0.00 N ATOM 172 CA TYR A 89 -8.640 3.889 -2.678 1.00 0.00 C ATOM 173 C TYR A 89 -9.375 3.207 -1.511 1.00 0.00 C ATOM 174 O TYR A 89 -8.859 3.113 -0.414 1.00 0.00 O ATOM 175 CB TYR A 89 -7.368 3.113 -3.033 1.00 0.00 C ATOM 176 CG TYR A 89 -7.747 1.746 -3.550 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.282 1.607 -4.837 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.585 0.621 -2.733 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.653 0.343 -5.307 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.954 -0.646 -3.204 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.491 -0.784 -4.491 1.00 0.00 C ATOM 182 OH TYR A 89 -8.857 -2.031 -4.955 1.00 0.00 O ATOM 0 H TYR A 89 -8.022 5.404 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.346 3.927 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.796 3.654 -3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.729 3.018 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.408 2.476 -5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.176 0.730 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.065 0.236 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.825 -1.515 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.241 -2.310 -5.664 1.00 0.00 H new ATOM 192 N GLU A 90 -10.574 2.725 -1.751 1.00 0.00 N ATOM 193 CA GLU A 90 -11.355 2.043 -0.666 1.00 0.00 C ATOM 194 C GLU A 90 -11.213 0.518 -0.764 1.00 0.00 C ATOM 195 O GLU A 90 -11.357 -0.060 -1.824 1.00 0.00 O ATOM 196 CB GLU A 90 -12.809 2.447 -0.911 1.00 0.00 C ATOM 197 CG GLU A 90 -13.077 3.822 -0.297 1.00 0.00 C ATOM 198 CD GLU A 90 -14.564 4.164 -0.440 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.371 3.247 -0.411 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.871 5.335 -0.578 1.00 0.00 O ATOM 0 H GLU A 90 -11.046 2.775 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.001 2.330 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.014 2.471 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.480 1.707 -0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.792 3.824 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.469 4.579 -0.794 1.00 0.00 H new ATOM 207 N ALA A 91 -10.941 -0.135 0.340 1.00 0.00 N ATOM 208 CA ALA A 91 -10.792 -1.629 0.330 1.00 0.00 C ATOM 209 C ALA A 91 -12.031 -2.301 -0.272 1.00 0.00 C ATOM 210 O ALA A 91 -13.115 -1.752 -0.257 1.00 0.00 O ATOM 211 CB ALA A 91 -10.636 -2.030 1.800 1.00 0.00 C ATOM 0 H ALA A 91 -10.815 0.302 1.253 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.941 -1.940 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.522 -3.112 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.755 -1.544 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.520 -1.721 2.357 1.00 0.00 H new ATOM 217 N ILE A 92 -11.867 -3.490 -0.796 1.00 0.00 N ATOM 218 CA ILE A 92 -13.019 -4.235 -1.398 1.00 0.00 C ATOM 219 C ILE A 92 -12.739 -5.742 -1.347 1.00 0.00 C ATOM 220 O ILE A 92 -12.973 -6.456 -2.304 1.00 0.00 O ATOM 221 CB ILE A 92 -13.116 -3.768 -2.857 1.00 0.00 C ATOM 222 CG1 ILE A 92 -11.767 -3.964 -3.559 1.00 0.00 C ATOM 223 CG2 ILE A 92 -13.510 -2.292 -2.906 1.00 0.00 C ATOM 224 CD1 ILE A 92 -12.001 -4.405 -5.006 1.00 0.00 C ATOM 0 H ILE A 92 -10.975 -3.983 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.947 -4.046 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 92 -13.876 -4.360 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -11.197 -3.035 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -11.176 -4.712 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -13.577 -1.968 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -14.477 -2.157 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.758 -1.697 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.041 -4.544 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -12.554 -5.344 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -12.575 -3.641 -5.531 1.00 0.00 H new ATOM 236 N HIS A 93 -12.233 -6.227 -0.239 1.00 0.00 N ATOM 237 CA HIS A 93 -11.931 -7.691 -0.114 1.00 0.00 C ATOM 238 C HIS A 93 -11.520 -8.020 1.329 1.00 0.00 C ATOM 239 O HIS A 93 -11.514 -7.161 2.190 1.00 0.00 O ATOM 240 CB HIS A 93 -10.766 -7.949 -1.080 1.00 0.00 C ATOM 241 CG HIS A 93 -11.054 -9.166 -1.916 1.00 0.00 C ATOM 242 ND1 HIS A 93 -11.548 -9.074 -3.209 1.00 0.00 N ATOM 243 CD2 HIS A 93 -10.929 -10.508 -1.658 1.00 0.00 C ATOM 244 CE1 HIS A 93 -11.700 -10.327 -3.676 1.00 0.00 C ATOM 245 NE2 HIS A 93 -11.338 -11.239 -2.769 1.00 0.00 N ATOM 0 H HIS A 93 -12.015 -5.671 0.588 1.00 0.00 H new ATOM 0 HA HIS A 93 -12.794 -8.312 -0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -10.617 -7.082 -1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -9.842 -8.092 -0.519 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -10.568 -10.932 -0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -12.069 -10.566 -4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -11.357 -12.254 -2.870 1.00 0.00 H new ATOM 253 N HIS A 94 -11.187 -9.259 1.597 1.00 0.00 N ATOM 254 CA HIS A 94 -10.790 -9.654 2.988 1.00 0.00 C ATOM 255 C HIS A 94 -9.587 -8.833 3.472 1.00 0.00 C ATOM 256 O HIS A 94 -9.726 -7.952 4.299 1.00 0.00 O ATOM 257 CB HIS A 94 -10.428 -11.139 2.902 1.00 0.00 C ATOM 258 CG HIS A 94 -11.685 -11.954 2.762 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.114 -12.447 1.540 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.618 -12.365 3.682 1.00 0.00 C ATOM 261 CE1 HIS A 94 -13.259 -13.121 1.754 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.612 -13.102 3.044 1.00 0.00 N ATOM 0 H HIS A 94 -11.172 -10.016 0.913 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.595 -9.471 3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.771 -11.315 2.051 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.882 -11.444 3.795 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.586 -12.149 4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.824 -13.617 0.979 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.432 -13.534 3.469 1.00 0.00 H new ATOM 270 N GLU A 95 -8.407 -9.116 2.967 1.00 0.00 N ATOM 271 CA GLU A 95 -7.197 -8.348 3.404 1.00 0.00 C ATOM 272 C GLU A 95 -7.000 -7.111 2.520 1.00 0.00 C ATOM 273 O GLU A 95 -5.903 -6.827 2.089 1.00 0.00 O ATOM 274 CB GLU A 95 -6.015 -9.316 3.242 1.00 0.00 C ATOM 275 CG GLU A 95 -4.992 -9.117 4.374 1.00 0.00 C ATOM 276 CD GLU A 95 -5.649 -9.427 5.721 1.00 0.00 C ATOM 277 OE1 GLU A 95 -6.186 -10.516 5.856 1.00 0.00 O ATOM 278 OE2 GLU A 95 -5.602 -8.576 6.592 1.00 0.00 O ATOM 0 H GLU A 95 -8.231 -9.843 2.274 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.292 -7.994 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.377 -10.344 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.534 -9.153 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.132 -9.769 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.621 -8.092 4.366 1.00 0.00 H new ATOM 285 N ASP A 96 -8.051 -6.371 2.257 1.00 0.00 N ATOM 286 CA ASP A 96 -7.917 -5.144 1.411 1.00 0.00 C ATOM 287 C ASP A 96 -7.923 -3.903 2.309 1.00 0.00 C ATOM 288 O ASP A 96 -8.794 -3.742 3.143 1.00 0.00 O ATOM 289 CB ASP A 96 -9.134 -5.153 0.481 1.00 0.00 C ATOM 290 CG ASP A 96 -8.682 -4.824 -0.947 1.00 0.00 C ATOM 291 OD1 ASP A 96 -8.047 -3.798 -1.123 1.00 0.00 O ATOM 292 OD2 ASP A 96 -8.976 -5.605 -1.836 1.00 0.00 O ATOM 0 H ASP A 96 -8.995 -6.564 2.592 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.988 -5.128 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.618 -6.129 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.870 -4.424 0.819 1.00 0.00 H new ATOM 297 N LEU A 97 -6.952 -3.035 2.158 1.00 0.00 N ATOM 298 CA LEU A 97 -6.899 -1.814 3.022 1.00 0.00 C ATOM 299 C LEU A 97 -7.153 -0.546 2.201 1.00 0.00 C ATOM 300 O LEU A 97 -6.720 -0.428 1.070 1.00 0.00 O ATOM 301 CB LEU A 97 -5.482 -1.801 3.600 1.00 0.00 C ATOM 302 CG LEU A 97 -5.327 -0.612 4.563 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.606 -1.062 5.835 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.513 0.495 3.885 1.00 0.00 C ATOM 0 H LEU A 97 -6.197 -3.118 1.477 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.664 -1.836 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.284 -2.735 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.751 -1.727 2.795 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.316 -0.234 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.500 -0.215 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.185 -1.846 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.619 -1.446 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.404 1.337 4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.527 0.112 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.028 0.825 2.983 1.00 0.00 H new ATOM 316 N SER A 98 -7.842 0.406 2.777 1.00 0.00 N ATOM 317 CA SER A 98 -8.127 1.679 2.054 1.00 0.00 C ATOM 318 C SER A 98 -7.106 2.749 2.435 1.00 0.00 C ATOM 319 O SER A 98 -6.968 3.104 3.591 1.00 0.00 O ATOM 320 CB SER A 98 -9.510 2.107 2.530 1.00 0.00 C ATOM 321 OG SER A 98 -10.362 0.972 2.607 1.00 0.00 O ATOM 0 H SER A 98 -8.221 0.354 3.723 1.00 0.00 H new ATOM 0 HA SER A 98 -8.078 1.547 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.437 2.586 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.930 2.843 1.844 1.00 0.00 H new ATOM 0 HG SER A 98 -11.250 1.250 2.915 1.00 0.00 H new ATOM 327 N PHE A 99 -6.411 3.281 1.468 1.00 0.00 N ATOM 328 CA PHE A 99 -5.411 4.359 1.761 1.00 0.00 C ATOM 329 C PHE A 99 -5.869 5.672 1.121 1.00 0.00 C ATOM 330 O PHE A 99 -6.988 5.777 0.645 1.00 0.00 O ATOM 331 CB PHE A 99 -4.062 3.891 1.186 1.00 0.00 C ATOM 332 CG PHE A 99 -4.203 3.376 -0.231 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.328 4.274 -1.296 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.184 1.997 -0.477 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.438 3.796 -2.607 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.291 1.519 -1.788 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.418 2.420 -2.854 1.00 0.00 C ATOM 0 H PHE A 99 -6.489 3.019 0.485 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.314 4.538 2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.353 4.719 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.650 3.105 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.340 5.337 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.087 1.303 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.538 4.490 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.276 0.456 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.500 2.052 -3.866 1.00 0.00 H new ATOM 347 N GLN A 100 -5.032 6.682 1.126 1.00 0.00 N ATOM 348 CA GLN A 100 -5.450 7.989 0.540 1.00 0.00 C ATOM 349 C GLN A 100 -4.490 8.455 -0.563 1.00 0.00 C ATOM 350 O GLN A 100 -3.545 7.783 -0.923 1.00 0.00 O ATOM 351 CB GLN A 100 -5.468 8.978 1.715 1.00 0.00 C ATOM 352 CG GLN A 100 -6.871 9.576 1.861 1.00 0.00 C ATOM 353 CD GLN A 100 -7.153 9.881 3.334 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.352 10.503 4.002 1.00 0.00 O ATOM 355 NE2 GLN A 100 -8.269 9.468 3.872 1.00 0.00 N ATOM 0 H GLN A 100 -4.086 6.656 1.507 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.426 7.911 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.180 8.470 2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.739 9.771 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.951 10.488 1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.615 8.879 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.942 8.946 3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.467 9.668 4.852 1.00 0.00 H new ATOM 364 N LYS A 101 -4.795 9.586 -1.129 1.00 0.00 N ATOM 365 CA LYS A 101 -3.998 10.152 -2.269 1.00 0.00 C ATOM 366 C LYS A 101 -2.531 10.448 -1.958 1.00 0.00 C ATOM 367 O LYS A 101 -1.713 10.543 -2.855 1.00 0.00 O ATOM 368 CB LYS A 101 -4.717 11.442 -2.614 1.00 0.00 C ATOM 369 CG LYS A 101 -4.229 11.944 -3.961 1.00 0.00 C ATOM 370 CD LYS A 101 -5.388 12.612 -4.694 1.00 0.00 C ATOM 371 CE LYS A 101 -6.370 11.537 -5.166 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.562 12.288 -5.648 1.00 0.00 N ATOM 0 H LYS A 101 -5.586 10.164 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.949 9.420 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.794 11.275 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.532 12.192 -1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.412 12.652 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.838 11.116 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.892 13.318 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.016 13.181 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.938 10.930 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.633 10.859 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.281 11.617 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.956 12.851 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.283 12.920 -6.425 1.00 0.00 H new ATOM 386 N GLY A 102 -2.203 10.626 -0.728 1.00 0.00 N ATOM 387 CA GLY A 102 -0.789 10.945 -0.357 1.00 0.00 C ATOM 388 C GLY A 102 -0.425 10.174 0.901 1.00 0.00 C ATOM 389 O GLY A 102 0.206 10.693 1.802 1.00 0.00 O ATOM 0 H GLY A 102 -2.851 10.567 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.116 10.677 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.676 12.016 -0.189 1.00 0.00 H new ATOM 393 N ASP A 103 -0.831 8.937 0.966 1.00 0.00 N ATOM 394 CA ASP A 103 -0.524 8.111 2.187 1.00 0.00 C ATOM 395 C ASP A 103 0.797 7.351 2.042 1.00 0.00 C ATOM 396 O ASP A 103 1.334 7.218 0.965 1.00 0.00 O ATOM 397 CB ASP A 103 -1.693 7.139 2.337 1.00 0.00 C ATOM 398 CG ASP A 103 -2.769 7.773 3.222 1.00 0.00 C ATOM 399 OD1 ASP A 103 -3.055 8.943 3.028 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.287 7.078 4.081 1.00 0.00 O ATOM 0 H ASP A 103 -1.359 8.457 0.237 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.408 8.746 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.107 6.897 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.349 6.203 2.778 1.00 0.00 H new ATOM 405 N GLN A 104 1.306 6.831 3.129 1.00 0.00 N ATOM 406 CA GLN A 104 2.572 6.051 3.081 1.00 0.00 C ATOM 407 C GLN A 104 2.318 4.651 3.632 1.00 0.00 C ATOM 408 O GLN A 104 1.772 4.488 4.707 1.00 0.00 O ATOM 409 CB GLN A 104 3.560 6.806 3.974 1.00 0.00 C ATOM 410 CG GLN A 104 4.332 7.833 3.139 1.00 0.00 C ATOM 411 CD GLN A 104 5.791 7.879 3.602 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.322 8.939 3.870 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.462 6.765 3.714 1.00 0.00 N ATOM 0 H GLN A 104 0.891 6.916 4.057 1.00 0.00 H new ATOM 0 HA GLN A 104 2.958 5.947 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.026 7.307 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.254 6.105 4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.283 7.568 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.876 8.818 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.016 5.876 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.433 6.784 4.027 1.00 0.00 H new ATOM 422 N MET A 105 2.704 3.645 2.899 1.00 0.00 N ATOM 423 CA MET A 105 2.485 2.244 3.364 1.00 0.00 C ATOM 424 C MET A 105 3.733 1.414 3.092 1.00 0.00 C ATOM 425 O MET A 105 4.466 1.673 2.157 1.00 0.00 O ATOM 426 CB MET A 105 1.304 1.728 2.532 1.00 0.00 C ATOM 427 CG MET A 105 0.064 2.605 2.783 1.00 0.00 C ATOM 428 SD MET A 105 -0.296 3.615 1.319 1.00 0.00 S ATOM 429 CE MET A 105 -1.149 2.339 0.355 1.00 0.00 C ATOM 0 H MET A 105 3.164 3.732 1.993 1.00 0.00 H new ATOM 0 HA MET A 105 2.282 2.184 4.433 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.561 1.741 1.473 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.087 0.693 2.795 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.794 1.975 3.019 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.234 3.249 3.646 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.570 2.785 -0.546 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.441 1.559 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.950 1.905 0.954 1.00 0.00 H new ATOM 439 N VAL A 106 3.978 0.417 3.897 1.00 0.00 N ATOM 440 CA VAL A 106 5.175 -0.443 3.673 1.00 0.00 C ATOM 441 C VAL A 106 4.707 -1.723 3.002 1.00 0.00 C ATOM 442 O VAL A 106 3.595 -2.149 3.201 1.00 0.00 O ATOM 443 CB VAL A 106 5.759 -0.752 5.058 1.00 0.00 C ATOM 444 CG1 VAL A 106 7.099 -1.485 4.908 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.968 0.553 5.848 1.00 0.00 C ATOM 0 H VAL A 106 3.402 0.161 4.699 1.00 0.00 H new ATOM 0 HA VAL A 106 5.926 0.037 3.045 1.00 0.00 H new ATOM 0 HB VAL A 106 5.060 -1.388 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.508 -1.701 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.945 -2.418 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.798 -0.857 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.383 0.322 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.658 1.200 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.012 1.062 5.969 1.00 0.00 H new ATOM 455 N VAL A 107 5.530 -2.345 2.218 1.00 0.00 N ATOM 456 CA VAL A 107 5.085 -3.603 1.544 1.00 0.00 C ATOM 457 C VAL A 107 5.511 -4.818 2.367 1.00 0.00 C ATOM 458 O VAL A 107 6.587 -4.868 2.931 1.00 0.00 O ATOM 459 CB VAL A 107 5.735 -3.605 0.154 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.357 -4.890 -0.594 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.234 -2.395 -0.643 1.00 0.00 C ATOM 0 H VAL A 107 6.483 -2.048 2.011 1.00 0.00 H new ATOM 0 HA VAL A 107 4.000 -3.652 1.453 1.00 0.00 H new ATOM 0 HB VAL A 107 6.818 -3.554 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.821 -4.887 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.707 -5.755 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.274 -4.942 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.694 -2.394 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.151 -2.452 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.500 -1.478 -0.118 1.00 0.00 H new ATOM 471 N LEU A 108 4.660 -5.796 2.421 1.00 0.00 N ATOM 472 CA LEU A 108 4.954 -7.036 3.184 1.00 0.00 C ATOM 473 C LEU A 108 5.495 -8.099 2.221 1.00 0.00 C ATOM 474 O LEU A 108 6.298 -8.937 2.582 1.00 0.00 O ATOM 475 CB LEU A 108 3.587 -7.477 3.728 1.00 0.00 C ATOM 476 CG LEU A 108 3.162 -6.612 4.923 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.389 -5.396 4.432 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.255 -7.433 5.850 1.00 0.00 C ATOM 0 H LEU A 108 3.751 -5.789 1.958 1.00 0.00 H new ATOM 0 HA LEU A 108 5.691 -6.890 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.838 -7.406 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.633 -8.523 4.031 1.00 0.00 H new ATOM 0 HG LEU A 108 4.052 -6.288 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.090 -4.786 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.021 -4.807 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.501 -5.723 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.952 -6.820 6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.370 -7.755 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.798 -8.308 6.209 1.00 0.00 H new ATOM 490 N GLU A 109 5.053 -8.053 0.989 1.00 0.00 N ATOM 491 CA GLU A 109 5.516 -9.039 -0.034 1.00 0.00 C ATOM 492 C GLU A 109 5.344 -8.447 -1.439 1.00 0.00 C ATOM 493 O GLU A 109 4.598 -7.506 -1.630 1.00 0.00 O ATOM 494 CB GLU A 109 4.610 -10.261 0.144 1.00 0.00 C ATOM 495 CG GLU A 109 5.198 -11.194 1.208 1.00 0.00 C ATOM 496 CD GLU A 109 4.482 -12.547 1.162 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.049 -12.936 0.089 1.00 0.00 O ATOM 498 OE2 GLU A 109 4.378 -13.174 2.205 1.00 0.00 O ATOM 0 H GLU A 109 4.383 -7.365 0.645 1.00 0.00 H new ATOM 0 HA GLU A 109 6.568 -9.296 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.610 -9.943 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.510 -10.792 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.266 -11.331 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.089 -10.748 2.197 1.00 0.00 H new ATOM 505 N GLU A 110 6.009 -9.001 -2.420 1.00 0.00 N ATOM 506 CA GLU A 110 5.870 -8.482 -3.821 1.00 0.00 C ATOM 507 C GLU A 110 4.937 -9.397 -4.627 1.00 0.00 C ATOM 508 O GLU A 110 4.800 -10.567 -4.327 1.00 0.00 O ATOM 509 CB GLU A 110 7.286 -8.519 -4.402 1.00 0.00 C ATOM 510 CG GLU A 110 7.881 -7.109 -4.409 1.00 0.00 C ATOM 511 CD GLU A 110 9.389 -7.196 -4.657 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.771 -7.777 -5.659 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.134 -6.681 -3.840 1.00 0.00 O ATOM 0 H GLU A 110 6.644 -9.792 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 110 5.444 -7.479 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.914 -9.186 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.263 -8.919 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.408 -6.506 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.685 -6.615 -3.457 1.00 0.00 H new ATOM 520 N SER A 111 4.297 -8.873 -5.645 1.00 0.00 N ATOM 521 CA SER A 111 3.378 -9.716 -6.470 1.00 0.00 C ATOM 522 C SER A 111 3.383 -9.243 -7.930 1.00 0.00 C ATOM 523 O SER A 111 3.978 -9.868 -8.787 1.00 0.00 O ATOM 524 CB SER A 111 1.994 -9.532 -5.847 1.00 0.00 C ATOM 525 OG SER A 111 1.016 -10.107 -6.703 1.00 0.00 O ATOM 0 H SER A 111 4.372 -7.899 -5.939 1.00 0.00 H new ATOM 0 HA SER A 111 3.681 -10.763 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.958 -10.004 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.787 -8.472 -5.699 1.00 0.00 H new ATOM 0 HG SER A 111 0.127 -9.993 -6.307 1.00 0.00 H new ATOM 531 N GLY A 112 2.726 -8.145 -8.216 1.00 0.00 N ATOM 532 CA GLY A 112 2.693 -7.634 -9.619 1.00 0.00 C ATOM 533 C GLY A 112 1.862 -6.348 -9.687 1.00 0.00 C ATOM 534 O GLY A 112 2.372 -5.262 -9.492 1.00 0.00 O ATOM 0 H GLY A 112 2.212 -7.582 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.707 -7.441 -9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.266 -8.388 -10.280 1.00 0.00 H new ATOM 538 N GLU A 113 0.587 -6.468 -9.964 1.00 0.00 N ATOM 539 CA GLU A 113 -0.288 -5.254 -10.049 1.00 0.00 C ATOM 540 C GLU A 113 -0.959 -4.967 -8.694 1.00 0.00 C ATOM 541 O GLU A 113 -1.480 -3.889 -8.470 1.00 0.00 O ATOM 542 CB GLU A 113 -1.339 -5.598 -11.113 1.00 0.00 C ATOM 543 CG GLU A 113 -1.436 -4.461 -12.134 1.00 0.00 C ATOM 544 CD GLU A 113 -2.080 -4.984 -13.420 1.00 0.00 C ATOM 545 OE1 GLU A 113 -1.394 -5.658 -14.172 1.00 0.00 O ATOM 546 OE2 GLU A 113 -3.247 -4.701 -13.633 1.00 0.00 O ATOM 0 H GLU A 113 0.112 -7.354 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 113 0.279 -4.359 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.071 -6.528 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.308 -5.759 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.027 -3.641 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.444 -4.064 -12.347 1.00 0.00 H new ATOM 553 N TRP A 114 -0.962 -5.926 -7.798 1.00 0.00 N ATOM 554 CA TRP A 114 -1.600 -5.724 -6.463 1.00 0.00 C ATOM 555 C TRP A 114 -0.643 -6.200 -5.362 1.00 0.00 C ATOM 556 O TRP A 114 -0.427 -7.386 -5.198 1.00 0.00 O ATOM 557 CB TRP A 114 -2.855 -6.603 -6.486 1.00 0.00 C ATOM 558 CG TRP A 114 -3.853 -6.054 -7.459 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.867 -6.312 -8.787 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.991 -5.178 -7.201 1.00 0.00 C ATOM 561 NE1 TRP A 114 -4.932 -5.641 -9.362 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.656 -4.931 -8.425 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.503 -4.578 -6.037 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.788 -4.119 -8.492 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.644 -3.761 -6.100 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.285 -3.532 -7.325 1.00 0.00 C ATOM 0 H TRP A 114 -0.546 -6.847 -7.938 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.838 -4.679 -6.267 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.589 -7.623 -6.764 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.295 -6.648 -5.490 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.162 -6.939 -9.313 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.155 -5.668 -10.357 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.016 -4.746 -5.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.277 -3.945 -9.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.029 -3.307 -5.199 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.162 -2.903 -7.367 1.00 0.00 H new ATOM 577 N TRP A 115 -0.056 -5.291 -4.619 1.00 0.00 N ATOM 578 CA TRP A 115 0.903 -5.711 -3.542 1.00 0.00 C ATOM 579 C TRP A 115 0.234 -5.672 -2.163 1.00 0.00 C ATOM 580 O TRP A 115 -0.702 -4.931 -1.933 1.00 0.00 O ATOM 581 CB TRP A 115 2.048 -4.687 -3.573 1.00 0.00 C ATOM 582 CG TRP A 115 2.663 -4.588 -4.941 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.690 -5.569 -5.878 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.355 -3.448 -5.527 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.350 -5.098 -7.000 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.778 -3.795 -6.832 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.649 -2.156 -5.056 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.469 -2.892 -7.640 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.345 -1.244 -5.866 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.754 -1.611 -7.156 1.00 0.00 C ATOM 0 H TRP A 115 -0.196 -4.285 -4.709 1.00 0.00 H new ATOM 0 HA TRP A 115 1.249 -6.731 -3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.672 -3.710 -3.271 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.812 -4.972 -2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.266 -6.556 -5.767 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.502 -5.646 -7.847 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.337 -1.863 -4.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.782 -3.180 -8.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.566 -0.255 -5.493 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.288 -0.906 -7.775 1.00 0.00 H new ATOM 601 N LYS A 116 0.743 -6.445 -1.238 1.00 0.00 N ATOM 602 CA LYS A 116 0.181 -6.462 0.152 1.00 0.00 C ATOM 603 C LYS A 116 1.027 -5.538 1.040 1.00 0.00 C ATOM 604 O LYS A 116 2.177 -5.830 1.294 1.00 0.00 O ATOM 605 CB LYS A 116 0.324 -7.920 0.608 1.00 0.00 C ATOM 606 CG LYS A 116 -0.966 -8.392 1.281 1.00 0.00 C ATOM 607 CD LYS A 116 -0.788 -9.846 1.728 1.00 0.00 C ATOM 608 CE LYS A 116 -2.115 -10.391 2.256 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.902 -11.861 2.371 1.00 0.00 N ATOM 0 H LYS A 116 1.533 -7.073 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.853 -6.120 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.550 -8.556 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.159 -8.011 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.197 -7.760 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.804 -8.310 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.442 -10.453 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.025 -9.907 2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.368 -9.951 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.936 -10.162 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.769 -12.311 2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.669 -12.252 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.119 -12.048 3.029 1.00 0.00 H new ATOM 623 N ALA A 117 0.490 -4.426 1.493 1.00 0.00 N ATOM 624 CA ALA A 117 1.310 -3.493 2.331 1.00 0.00 C ATOM 625 C ALA A 117 0.624 -3.135 3.662 1.00 0.00 C ATOM 626 O ALA A 117 -0.546 -3.395 3.877 1.00 0.00 O ATOM 627 CB ALA A 117 1.448 -2.241 1.468 1.00 0.00 C ATOM 0 H ALA A 117 -0.470 -4.128 1.320 1.00 0.00 H new ATOM 0 HA ALA A 117 2.262 -3.947 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.037 -1.495 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.946 -2.497 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.459 -1.836 1.253 1.00 0.00 H new ATOM 633 N ARG A 118 1.368 -2.520 4.553 1.00 0.00 N ATOM 634 CA ARG A 118 0.818 -2.115 5.868 1.00 0.00 C ATOM 635 C ARG A 118 0.761 -0.584 5.954 1.00 0.00 C ATOM 636 O ARG A 118 1.763 0.095 5.825 1.00 0.00 O ATOM 637 CB ARG A 118 1.803 -2.711 6.888 1.00 0.00 C ATOM 638 CG ARG A 118 1.494 -2.230 8.314 1.00 0.00 C ATOM 639 CD ARG A 118 2.810 -1.960 9.054 1.00 0.00 C ATOM 640 NE ARG A 118 2.430 -1.680 10.473 1.00 0.00 N ATOM 641 CZ ARG A 118 3.344 -1.594 11.422 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.615 -1.829 11.179 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.976 -1.287 12.636 1.00 0.00 N ATOM 0 H ARG A 118 2.350 -2.282 4.412 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.199 -2.467 6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.753 -3.799 6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.821 -2.429 6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.889 -1.324 8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.912 -2.983 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.478 -2.819 8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.338 -1.113 8.616 1.00 0.00 H new ATOM 0 HE ARG A 118 1.447 -1.553 10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.916 -2.085 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.300 -1.755 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.992 -1.117 12.843 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.673 -1.217 13.378 1.00 0.00 H new ATOM 657 N SER A 119 -0.410 -0.044 6.177 1.00 0.00 N ATOM 658 CA SER A 119 -0.554 1.438 6.282 1.00 0.00 C ATOM 659 C SER A 119 -0.010 1.920 7.627 1.00 0.00 C ATOM 660 O SER A 119 -0.593 1.666 8.670 1.00 0.00 O ATOM 661 CB SER A 119 -2.058 1.703 6.191 1.00 0.00 C ATOM 662 OG SER A 119 -2.275 3.004 5.659 1.00 0.00 O ATOM 0 H SER A 119 -1.277 -0.570 6.291 1.00 0.00 H new ATOM 0 HA SER A 119 -0.002 1.963 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.533 0.954 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.514 1.620 7.178 1.00 0.00 H new ATOM 0 HG SER A 119 -3.238 3.176 5.598 1.00 0.00 H new ATOM 668 N LEU A 120 1.103 2.613 7.608 1.00 0.00 N ATOM 669 CA LEU A 120 1.699 3.124 8.880 1.00 0.00 C ATOM 670 C LEU A 120 0.760 4.142 9.535 1.00 0.00 C ATOM 671 O LEU A 120 0.835 4.385 10.725 1.00 0.00 O ATOM 672 CB LEU A 120 3.015 3.791 8.476 1.00 0.00 C ATOM 673 CG LEU A 120 4.072 2.716 8.222 1.00 0.00 C ATOM 674 CD1 LEU A 120 5.258 3.331 7.474 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.552 2.144 9.561 1.00 0.00 C ATOM 0 H LEU A 120 1.625 2.847 6.763 1.00 0.00 H new ATOM 0 HA LEU A 120 1.858 2.325 9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.870 4.393 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.350 4.467 9.263 1.00 0.00 H new ATOM 0 HG LEU A 120 3.639 1.917 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.011 2.564 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.917 3.736 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.691 4.131 8.074 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.306 1.378 9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.984 2.943 10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.708 1.705 10.092 1.00 0.00 H new ATOM 687 N ALA A 121 -0.126 4.737 8.769 1.00 0.00 N ATOM 688 CA ALA A 121 -1.074 5.730 9.357 1.00 0.00 C ATOM 689 C ALA A 121 -1.955 5.045 10.411 1.00 0.00 C ATOM 690 O ALA A 121 -2.453 5.678 11.323 1.00 0.00 O ATOM 691 CB ALA A 121 -1.924 6.227 8.185 1.00 0.00 C ATOM 0 H ALA A 121 -0.231 4.577 7.767 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.557 6.552 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.645 6.962 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.279 6.687 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.455 5.386 7.738 1.00 0.00 H new ATOM 697 N THR A 122 -2.135 3.750 10.295 1.00 0.00 N ATOM 698 CA THR A 122 -2.963 3.003 11.288 1.00 0.00 C ATOM 699 C THR A 122 -2.324 1.639 11.594 1.00 0.00 C ATOM 700 O THR A 122 -2.961 0.766 12.152 1.00 0.00 O ATOM 701 CB THR A 122 -4.325 2.807 10.615 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.146 2.133 9.377 1.00 0.00 O ATOM 703 CG2 THR A 122 -4.983 4.164 10.370 1.00 0.00 C ATOM 0 H THR A 122 -1.740 3.177 9.549 1.00 0.00 H new ATOM 0 HA THR A 122 -3.048 3.540 12.233 1.00 0.00 H new ATOM 0 HB THR A 122 -4.967 2.212 11.265 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.016 2.005 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.951 4.018 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.122 4.678 11.321 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.345 4.766 9.723 1.00 0.00 H new ATOM 711 N ARG A 123 -1.070 1.442 11.230 1.00 0.00 N ATOM 712 CA ARG A 123 -0.390 0.127 11.486 1.00 0.00 C ATOM 713 C ARG A 123 -1.247 -1.036 10.970 1.00 0.00 C ATOM 714 O ARG A 123 -1.162 -2.144 11.463 1.00 0.00 O ATOM 715 CB ARG A 123 -0.241 0.035 13.005 1.00 0.00 C ATOM 716 CG ARG A 123 0.811 1.036 13.481 1.00 0.00 C ATOM 717 CD ARG A 123 1.307 0.620 14.867 1.00 0.00 C ATOM 718 NE ARG A 123 1.605 1.903 15.582 1.00 0.00 N ATOM 719 CZ ARG A 123 1.878 1.924 16.873 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.937 0.819 17.581 1.00 0.00 N ATOM 721 NH2 ARG A 123 2.109 3.068 17.457 1.00 0.00 N ATOM 0 H ARG A 123 -0.489 2.140 10.765 1.00 0.00 H new ATOM 0 HA ARG A 123 0.571 0.067 10.974 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.197 0.241 13.487 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.049 -0.976 13.291 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.643 1.069 12.778 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.386 2.039 13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.552 0.040 15.397 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.196 -0.006 14.795 1.00 0.00 H new ATOM 0 HE ARG A 123 1.597 2.779 15.059 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.770 -0.083 17.134 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.150 0.863 18.578 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.077 3.932 16.916 1.00 0.00 H new ATOM 0 HH22 ARG A 123 2.321 3.098 18.454 1.00 0.00 H new ATOM 735 N LYS A 124 -2.061 -0.789 9.975 1.00 0.00 N ATOM 736 CA LYS A 124 -2.919 -1.880 9.419 1.00 0.00 C ATOM 737 C LYS A 124 -2.247 -2.471 8.187 1.00 0.00 C ATOM 738 O LYS A 124 -1.190 -2.034 7.802 1.00 0.00 O ATOM 739 CB LYS A 124 -4.233 -1.208 9.032 1.00 0.00 C ATOM 740 CG LYS A 124 -4.978 -0.765 10.294 1.00 0.00 C ATOM 741 CD LYS A 124 -6.486 -0.870 10.057 1.00 0.00 C ATOM 742 CE LYS A 124 -7.184 -1.284 11.355 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.583 -1.615 10.957 1.00 0.00 N ATOM 0 H LYS A 124 -2.169 0.119 9.524 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.078 -2.688 10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.038 -0.347 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.850 -1.899 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.687 -1.389 11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.709 0.260 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.877 0.087 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.691 -1.600 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.691 -2.142 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.163 -0.478 12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.123 -1.908 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.030 -0.778 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.573 -2.391 10.264 1.00 0.00 H new ATOM 757 N GLU A 125 -2.856 -3.448 7.562 1.00 0.00 N ATOM 758 CA GLU A 125 -2.237 -4.051 6.334 1.00 0.00 C ATOM 759 C GLU A 125 -3.281 -4.707 5.438 1.00 0.00 C ATOM 760 O GLU A 125 -4.287 -5.221 5.891 1.00 0.00 O ATOM 761 CB GLU A 125 -1.173 -5.074 6.792 1.00 0.00 C ATOM 762 CG GLU A 125 -1.595 -5.811 8.069 1.00 0.00 C ATOM 763 CD GLU A 125 -2.906 -6.560 7.831 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.974 -7.306 6.868 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.821 -6.375 8.616 1.00 0.00 O ATOM 0 H GLU A 125 -3.748 -3.854 7.844 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.773 -3.267 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.000 -5.798 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.228 -4.560 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.816 -6.512 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.716 -5.100 8.886 1.00 0.00 H new ATOM 772 N GLY A 126 -3.026 -4.693 4.157 1.00 0.00 N ATOM 773 CA GLY A 126 -3.967 -5.308 3.183 1.00 0.00 C ATOM 774 C GLY A 126 -3.370 -5.208 1.777 1.00 0.00 C ATOM 775 O GLY A 126 -2.171 -5.115 1.614 1.00 0.00 O ATOM 0 H GLY A 126 -2.194 -4.275 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.147 -6.351 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.931 -4.800 3.219 1.00 0.00 H new ATOM 779 N TYR A 127 -4.203 -5.198 0.767 1.00 0.00 N ATOM 780 CA TYR A 127 -3.696 -5.094 -0.636 1.00 0.00 C ATOM 781 C TYR A 127 -3.684 -3.626 -1.064 1.00 0.00 C ATOM 782 O TYR A 127 -4.289 -2.783 -0.430 1.00 0.00 O ATOM 783 CB TYR A 127 -4.698 -5.860 -1.514 1.00 0.00 C ATOM 784 CG TYR A 127 -4.903 -7.269 -1.007 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.860 -8.202 -1.059 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.149 -7.642 -0.493 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.065 -9.506 -0.595 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.355 -8.941 -0.029 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.314 -9.876 -0.079 1.00 0.00 C ATOM 790 OH TYR A 127 -5.518 -11.161 0.381 1.00 0.00 O ATOM 0 H TYR A 127 -5.218 -5.258 0.854 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.687 -5.496 -0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.652 -5.333 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.337 -5.889 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -2.898 -7.915 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.954 -6.922 -0.455 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.261 -10.226 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.318 -9.226 0.369 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.438 -11.250 0.706 1.00 0.00 H new ATOM 800 N ILE A 128 -2.999 -3.321 -2.133 1.00 0.00 N ATOM 801 CA ILE A 128 -2.935 -1.907 -2.616 1.00 0.00 C ATOM 802 C ILE A 128 -2.633 -1.882 -4.124 1.00 0.00 C ATOM 803 O ILE A 128 -1.586 -2.336 -4.540 1.00 0.00 O ATOM 804 CB ILE A 128 -1.806 -1.220 -1.824 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.559 -2.116 -1.746 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.297 -0.917 -0.410 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.698 -1.246 -1.736 1.00 0.00 C ATOM 0 H ILE A 128 -2.478 -3.992 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.882 -1.390 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.536 -0.298 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.596 -2.730 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.535 -2.798 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.502 -0.431 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.163 -0.257 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.577 -1.847 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.581 -1.883 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.736 -0.651 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.674 -0.583 -0.871 1.00 0.00 H new ATOM 819 N PRO A 129 -3.565 -1.370 -4.914 1.00 0.00 N ATOM 820 CA PRO A 129 -3.363 -1.319 -6.389 1.00 0.00 C ATOM 821 C PRO A 129 -1.987 -0.753 -6.757 1.00 0.00 C ATOM 822 O PRO A 129 -1.746 0.439 -6.698 1.00 0.00 O ATOM 823 CB PRO A 129 -4.477 -0.404 -6.888 1.00 0.00 C ATOM 824 CG PRO A 129 -5.538 -0.458 -5.834 1.00 0.00 C ATOM 825 CD PRO A 129 -4.869 -0.804 -4.527 1.00 0.00 C ATOM 0 HA PRO A 129 -3.397 -2.312 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.115 0.614 -7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.862 -0.742 -7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.051 0.501 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.291 -1.204 -6.087 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.747 0.078 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.459 -1.522 -3.958 1.00 0.00 H new ATOM 833 N SER A 130 -1.094 -1.619 -7.149 1.00 0.00 N ATOM 834 CA SER A 130 0.282 -1.182 -7.538 1.00 0.00 C ATOM 835 C SER A 130 0.242 -0.199 -8.719 1.00 0.00 C ATOM 836 O SER A 130 1.217 0.474 -8.999 1.00 0.00 O ATOM 837 CB SER A 130 0.994 -2.468 -7.956 1.00 0.00 C ATOM 838 OG SER A 130 0.993 -3.378 -6.868 1.00 0.00 O ATOM 0 H SER A 130 -1.259 -2.623 -7.218 1.00 0.00 H new ATOM 0 HA SER A 130 0.784 -0.665 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.493 -2.911 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.017 -2.248 -8.261 1.00 0.00 H new ATOM 0 HG SER A 130 1.857 -3.838 -6.826 1.00 0.00 H new ATOM 844 N ASN A 131 -0.861 -0.125 -9.430 1.00 0.00 N ATOM 845 CA ASN A 131 -0.938 0.803 -10.604 1.00 0.00 C ATOM 846 C ASN A 131 -1.303 2.240 -10.183 1.00 0.00 C ATOM 847 O ASN A 131 -1.609 3.068 -11.018 1.00 0.00 O ATOM 848 CB ASN A 131 -2.015 0.215 -11.523 1.00 0.00 C ATOM 849 CG ASN A 131 -3.349 0.106 -10.780 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.636 -0.905 -10.170 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.184 1.107 -10.810 1.00 0.00 N ATOM 0 H ASN A 131 -1.707 -0.665 -9.248 1.00 0.00 H new ATOM 0 HA ASN A 131 0.029 0.880 -11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.133 0.845 -12.405 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.705 -0.770 -11.873 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.077 1.041 -10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.944 1.956 -11.322 1.00 0.00 H new ATOM 858 N TYR A 132 -1.262 2.549 -8.906 1.00 0.00 N ATOM 859 CA TYR A 132 -1.581 3.947 -8.452 1.00 0.00 C ATOM 860 C TYR A 132 -0.735 4.287 -7.222 1.00 0.00 C ATOM 861 O TYR A 132 -1.206 4.903 -6.283 1.00 0.00 O ATOM 862 CB TYR A 132 -3.068 3.945 -8.072 1.00 0.00 C ATOM 863 CG TYR A 132 -3.927 4.293 -9.270 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.621 5.408 -10.060 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.040 3.505 -9.580 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.426 5.731 -11.159 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.844 3.827 -10.679 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.537 4.941 -11.468 1.00 0.00 C ATOM 869 OH TYR A 132 -6.332 5.261 -12.550 1.00 0.00 O ATOM 0 H TYR A 132 -1.022 1.897 -8.159 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.369 4.682 -9.229 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.349 2.964 -7.689 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.245 4.663 -7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.763 6.019 -9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.279 2.646 -8.970 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.189 6.591 -11.768 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.702 3.216 -10.918 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.060 4.610 -12.625 1.00 0.00 H new ATOM 879 N VAL A 133 0.507 3.874 -7.217 1.00 0.00 N ATOM 880 CA VAL A 133 1.387 4.147 -6.041 1.00 0.00 C ATOM 881 C VAL A 133 2.840 4.357 -6.482 1.00 0.00 C ATOM 882 O VAL A 133 3.207 4.098 -7.611 1.00 0.00 O ATOM 883 CB VAL A 133 1.241 2.898 -5.149 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.517 1.623 -5.956 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.215 2.954 -3.973 1.00 0.00 C ATOM 0 H VAL A 133 0.950 3.359 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 133 1.106 5.058 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 133 0.218 2.881 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.409 0.752 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.807 1.553 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.532 1.656 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 133 2.094 2.063 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.237 2.999 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 133 2.010 3.840 -3.372 1.00 0.00 H new ATOM 895 N ALA A 134 3.662 4.823 -5.578 1.00 0.00 N ATOM 896 CA ALA A 134 5.107 5.060 -5.905 1.00 0.00 C ATOM 897 C ALA A 134 6.005 4.230 -4.973 1.00 0.00 C ATOM 898 O ALA A 134 5.795 4.177 -3.776 1.00 0.00 O ATOM 899 CB ALA A 134 5.324 6.560 -5.677 1.00 0.00 C ATOM 0 H ALA A 134 3.396 5.052 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 134 5.356 4.766 -6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.361 6.815 -5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.665 7.127 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.101 6.806 -4.639 1.00 0.00 H new ATOM 905 N ARG A 135 6.995 3.567 -5.523 1.00 0.00 N ATOM 906 CA ARG A 135 7.898 2.717 -4.699 1.00 0.00 C ATOM 907 C ARG A 135 9.123 3.495 -4.190 1.00 0.00 C ATOM 908 O ARG A 135 9.849 4.105 -4.950 1.00 0.00 O ATOM 909 CB ARG A 135 8.336 1.614 -5.663 1.00 0.00 C ATOM 910 CG ARG A 135 9.259 0.633 -4.942 1.00 0.00 C ATOM 911 CD ARG A 135 8.521 -0.682 -4.678 1.00 0.00 C ATOM 912 NE ARG A 135 9.581 -1.739 -4.721 1.00 0.00 N ATOM 913 CZ ARG A 135 9.343 -2.963 -4.300 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.176 -3.308 -3.805 1.00 0.00 N ATOM 915 NH2 ARG A 135 10.294 -3.855 -4.372 1.00 0.00 N ATOM 0 H ARG A 135 7.214 3.582 -6.519 1.00 0.00 H new ATOM 0 HA ARG A 135 7.398 2.344 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.463 1.089 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.851 2.050 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.147 0.446 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.598 1.065 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.020 -0.665 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.754 -0.862 -5.431 1.00 0.00 H new ATOM 0 HE ARG A 135 10.505 -1.506 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.426 -2.620 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 135 8.020 -4.264 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 135 11.206 -3.599 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 135 10.125 -4.808 -4.050 1.00 0.00 H new ATOM 929 N VAL A 136 9.359 3.443 -2.904 1.00 0.00 N ATOM 930 CA VAL A 136 10.537 4.131 -2.301 1.00 0.00 C ATOM 931 C VAL A 136 11.140 3.271 -1.172 1.00 0.00 C ATOM 932 O VAL A 136 10.541 2.313 -0.713 1.00 0.00 O ATOM 933 CB VAL A 136 9.993 5.440 -1.732 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.487 6.327 -2.869 1.00 0.00 C ATOM 935 CG2 VAL A 136 8.849 5.157 -0.751 1.00 0.00 C ATOM 0 H VAL A 136 8.773 2.943 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 136 11.326 4.300 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 136 10.795 5.953 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.100 7.260 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.307 6.545 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.693 5.810 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.470 6.098 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.046 4.633 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.216 4.538 0.068 1.00 0.00 H new ATOM 945 N ASP A 137 12.324 3.612 -0.722 1.00 0.00 N ATOM 946 CA ASP A 137 12.978 2.835 0.372 1.00 0.00 C ATOM 947 C ASP A 137 12.679 3.483 1.732 1.00 0.00 C ATOM 948 O ASP A 137 11.727 4.227 1.874 1.00 0.00 O ATOM 949 CB ASP A 137 14.481 2.897 0.056 1.00 0.00 C ATOM 950 CG ASP A 137 14.969 4.350 0.048 1.00 0.00 C ATOM 951 OD1 ASP A 137 14.880 4.991 1.083 1.00 0.00 O ATOM 952 OD2 ASP A 137 15.427 4.794 -0.991 1.00 0.00 O ATOM 0 H ASP A 137 12.867 4.402 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 137 12.617 1.808 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 137 15.038 2.324 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 137 14.674 2.437 -0.913 1.00 0.00 H new ATOM 957 N SER A 138 13.484 3.202 2.727 1.00 0.00 N ATOM 958 CA SER A 138 13.249 3.797 4.076 1.00 0.00 C ATOM 959 C SER A 138 14.155 5.013 4.283 1.00 0.00 C ATOM 960 O SER A 138 13.749 5.913 5.001 1.00 0.00 O ATOM 961 CB SER A 138 13.607 2.689 5.064 1.00 0.00 C ATOM 962 OG SER A 138 13.544 3.204 6.387 1.00 0.00 O ATOM 0 H SER A 138 14.294 2.586 2.662 1.00 0.00 H new ATOM 0 HA SER A 138 12.222 4.141 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 138 12.919 1.851 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 138 14.607 2.309 4.856 1.00 0.00 H new ATOM 0 HG SER A 138 13.772 2.496 7.025 1.00 0.00 H new TER 968 SER A 138